diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml new file mode 100644 index 000000000..1d859fd65 --- /dev/null +++ b/.github/workflows/build.yml @@ -0,0 +1,26 @@ +name: Build and Test +on: + push: + branches: + - master + pull_request: + types: [opened, synchronize, reopened] +jobs: + build: + name: Build and Test + runs-on: ubuntu-latest + steps: + - uses: actions/checkout@v4 + - name: Set up JDK 21 + uses: actions/setup-java@v4 + with: + java-version: 21 + distribution: 'temurin' + - name: Cache Maven packages + uses: actions/cache@v4 + with: + path: ~/.m2 + key: ${{ runner.os }}-m2-${{ hashFiles('**/pom.xml') }} + restore-keys: ${{ runner.os }}-m2 + - name: Build and test + run: mvn -B clean verify \ No newline at end of file diff --git a/.travis.yml b/.travis.yml deleted file mode 100644 index f5c99a7f6..000000000 --- a/.travis.yml +++ /dev/null @@ -1 +0,0 @@ -language: java \ No newline at end of file diff --git a/CHANGELOG.md b/CHANGELOG.md index 46aac9068..a853eb8fc 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,8 +1,143 @@ CIFTools Changelog ============= +This project uses semantic versioning. Furthermore, this project provides code that was generated from schemata. Any schema change that introduces a breaking change in the generated code is considered as breaking for the whole project. Additional information is provided below when this occurs (named `Breaking schema changes`). Most of these occur in experimental categories and are unlikely to affect your code. `Breaking API changes` will be avoided starting with version 1.0.0. + +ciftools-java 8.0.1 - January 2026 +------------- +### Bug fixes +* ValueKind: resolve `""` -> `ValueKind.NOT_PRESENT` + +ciftools-java 8.0.0 - January 2026 +------------- +### Breaking schema changes +* cif-core: + * `atom_type_key` removed + * `cell_formula_units_z`: `int` -> `float` + * `cell_angle` category removed + * `diffrn_radiation_wavelength_id` removed + * `geom_bond_distance_min` renamed to `geom_min_bond_distance_cutoff` + +### New features +* improved builder ergonomics + * added overloads that make it easier to build columns with missing values + * validate that all columns in a category are equal in size + +ciftools-java 7.0.2 - September 2025 +------------- +### Bug fixes +* BCIF writing: fix behavior when the model contains empty categories + +ciftools-java 7.0.1 - March 2025 +------------- +### Bug fixes +* cache results of `DelegatingColumn#getArray()` to avoid performance penalty if schema type and actual data type differ (fixes #13) + +ciftools-java 7.0.0 - March 2025 +------------- +### Breaking schema changes +* cif-core: + * removal of `Atom`, `CifCore`, `Diffraction`, `DiffrnOrient`, `Display`, `Model`, `Publication`, `Structure`, and `Valence` categories + +### General +* dependency and schema updates + +ciftools-java 6.0.0 - March 2024 +------------- +### Breaking schema changes +* cif-core: + * renaming of `atom_site` tensors + * `atom_type_scat_versus_stol_list` from float to String + * drops `citation_author_key` + * drops `citation_editor_id` + * `journal_index_id` from int to String + * `refln_f_complex_su` from float to String +* mmCIF/ihm-extension: + * drops `ihm_entry_collection_mapping.id` + +ciftools-java 5.0.2 - October 2023 +------------- +### Bug fixes +* treat numbers that exceed `Integer.MAX_VALUE` as String + +ciftools-java 5.0.1 - May 2023 +------------- +### Bug fixes +* harden detection of scientific notation in number type logic + +ciftools-java 5.0.0 - January 2023 +------------- +### Breaking schema changes +* cif-core: + * dropped `diffrn_standard` (duplicate of `diffrn_standards`) and renaming/retyping of several diffraction-related categories + +ciftools-java 4.0.5 - January 2023 +------------- +### Bug fixes +* fix text writing when non-English number formats are used on the platform + +ciftools-java 4.0.4 - November 2022 +------------- +### Bug fixes +* fix test failures on Java 17 (subtle gzip differences, #12) + +ciftools-java 4.0.3 - October 2022 +------------- +### General +* schema update (mainly description in EM sub-schema) + +ciftools-java 4.0.2 - June 2022 +------------- +### Bug fixes +* write `null` instead of empty map if all values are present and no mask is needed - otherwise other software might refuse to load files written by ciftools-java + +ciftools-java 4.0.1 - June 2022 +------------- +### Bug fixes +* fix encoding classification when converting text to binary without schema + +ciftools-java 4.0.0 - May 2022 +------------- +### Bug fixes +* update gson dependency to 2.8.9 + +### Breaking schema changes +* mmCIF/modelCIF: + * `ma_protocol_step.method_type_other_details` -> `ma_protocol_step.details` +* cif-core: + * case changes for many column names, this affects Java access methods unless explicitly aliased by the dictionary + * changes to handling of value ranges and standard uncertainty values (e.g. for melting points & temperature values in `chemical` category) + * `citation_journal_issue` changed from int to String type + * `citation_year` changes from String to int type + +ciftools-java 3.0.1 - November 2021 +------------- +### Bug fixes +* proper handling of strings such as: `''cytochrome P450` + +ciftools-java 3.0.0 - September 2021 +------------- +### New features +* add support for the CIF model extension (https://raw.githubusercontent.com/ihmwg/MA-dictionary/master/mmcif_ma.dic), relevant for AlphaFold models and other predicted structures + +### Bug fixes +* names in cifcore implementation now follow spec and are case-insensitive + +### Breaking schema changes +* mmCIF: + * `em_focused_ion_beam.duration` changed from int to float type + * `em_map.symmetry_space_group` changed from String to int type + * `pdbx_struct_ncs_virus_gen.oper_id` changed from String to int type + * `struct_ncs_ens_gen.oper_id` changed from String to int type + * `struct_ncs_oper.id` changed from String to int type +* cif-core: + * case changes for many column names, this affects Java access methods unless explicitly aliased by the dictionary + * `atom_type_scat_versus_stol_list` changed from String to float type + * `model_site_adp_eigen_system` changed from String to `model_site_adp_eigenvalues` and `model_site_adp_eigenvectors` of float type + ciftools-java 2.0.2 ------------- +### General * expose #getColumnNames for categories * minimized overhead by schema validation that implicitly happens when files are requested in a certain schema (previously validation would trigger decoding of all columns) @@ -17,8 +152,8 @@ ciftools-java 2.0.0 ### Bug fixes * avoid enigmatic NullPointerException for #values() of empty columns - now returned Stream will be empty -### Breaking API changes -* updates schemata +### Breaking schema changes +* mmCIF: changes to IHM, EM, and branched entities (see https://github.com/rcsb/ciftools-java/commit/caf1bd678dc89d73291e344e2c8ec999735ffc87) ciftools-java 1.0.0 ------------- diff --git a/README.md b/README.md index 0c1e14ecc..76cd561fe 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ -[![Maven Central](https://maven-badges.herokuapp.com/maven-central/org.rcsb/ciftools-java/badge.svg)](https://maven-badges.herokuapp.com/maven-central/org.rcsb/ciftools-java) -[![Build Status](https://travis-ci.com/rcsb/ciftools-java.svg?branch=master)](https://travis-ci.com/rcsb/ciftools-java) +[![Maven Central](https://img.shields.io/maven-central/v/org.rcsb/ciftools-java)](https://central.sonatype.com/artifact/org.rcsb/ciftools-java) [![Changelog](https://img.shields.io/badge/changelog--lightgrey.svg?style=flat)](https://github.com/rcsb/ciftools-java/blob/master/CHANGELOG.md) +[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.3948501.svg)](https://doi.org/10.5281/zenodo.3948501) # CIFTools CIFTools implements reading and writing of CIF files ([specification](http://www.iucr.org/resources/cif/spec/version1.1/cifsyntax)) @@ -14,11 +14,11 @@ CIFTools is distributed by maven. To get started, append your `pom.xml` by: org.rcsb ciftools-java - 2.0.2 + 8.0.1 ``` -Requires Java 11 (0.10.1 supports Java 8). +Requires Java 11. ## File Parsing Example @@ -80,7 +80,7 @@ from the CIF dictionary are provided. Just as in Mol* implementation, all parsing and decoding is done as lazily as possible. This makes it cheap to acquire the data structure and hardly wastes any time on preparing information you will never access. In contrast to -[MMTF](https://mmtf.rcsb.org/), all data can be accessed if needed. +[MMTF](https://doi.org/10.1371/journal.pcbi.1005575), all data can be accessed if needed. ## Model Creation Example ```Java @@ -142,6 +142,34 @@ of category and column names and the corresponding type described by a column (e not overloaded, but rather will only accept `String` values while in `entry.id` and only `double` values in `atom_site.Cartn_x`. +## Read AlphaFold Model & Convert to BinaryCIF +```Java +class Demo { + public static void main(String[] args) { + String id = "AF-Q76EI6-F1-model_v6"; + + CifFile cifFile = CifIO.readFromURL(new URL("https://alphafold.ebi.ac.uk/files/" + id + ".cif")); + MmCifFile mmCifFile = cifFile.as(StandardSchemata.MMCIF); + + // access to properties from the model-extension is provided + // print average per-residue confidence score provided by AlphaFold + System.out.println(mmCifFile.getFirstBlock() + .getMaQaMetricLocal() + .getMetricValue() + .values() + .average() + .orElseThrow()); + + // convert to BinaryCIF representation + byte[] output = CifIO.writeBinary(mmCifFile); + } +} +``` + +Computed structure models, e.g. from [AlphaFold](https://alphafold.ebi.ac.uk/), are supported. Access to categories and +columns defined by the mmCIF model extension is provided. This includes e.g. quality/confidence scores of the prediction. +Structure data can be converted to BinaryCIF files for more efficient storage & parsing of millions of files. + ## Performance The implementation can read the full PDB archive (154,015 files) in little over 2 minutes. This is achieved by lazy decoding and parsing - all columns are decoded the first time when they are actually requested. Thus, the parsing overhead is kept @@ -154,11 +182,13 @@ CIF categories (i.e. they provide primarily atomic coordinates). ## Contributions & Related Projects - [molstar/ciftools](https://github.com/molstar/ciftools) a TypeScript/JavaScript implementation +- [molstar/BinaryCIF](https://github.com/molstar/BinaryCIF) BinaryCIF format specification +- [rcsb/py-mmcif](https://github.com/rcsb/py-mmcif) Python mmCIF Core Access Library -These implementations are based on a number of other projects, namely: +The implementation is based on a number of other projects, namely: - [CIFtools.js](https://github.com/dsehnal/CIFTools.js) by David Sehnal - [Mol*](https://molstar.github.io) by Alexander Rose and David Sehnal -- [MMTF](https://mmtf.rcsb.org/) by RCSB +- [MMTF](https://doi.org/10.1371/journal.pcbi.1005575) by RCSB ## References -Publication in preparation \ No newline at end of file +- Sehnal D, Bittrich S, Velankar S, Koča J, Svobodová R, Burley SK, Rose AS (2020) BinaryCIF and CIFTools—Lightweight, efficient and extensible macromolecular data management. PLoS Comput Biol 16(10): e1008247. https://doi.org/10.1371/journal.pcbi.1008247 diff --git a/pom.xml b/pom.xml index b27f54198..8d6f96968 100644 --- a/pom.xml +++ b/pom.xml @@ -3,13 +3,13 @@ 4.0.0 org.rcsb ciftools-java - 2.0.2 + 8.0.2-SNAPSHOT jar A Java library for handling text and binary CIF files. ciftools-java - http://github.com/rcsb/ciftools-java + https://github.com/rcsb/ciftools-java RCSB PDB https://www.rcsb.org/ @@ -18,7 +18,7 @@ MIT License - http://www.opensource.org/licenses/mit-license.php + https://www.opensource.org/licenses/mit-license.php @@ -27,15 +27,15 @@ Sebastian Bittrich sebastian.bittrich@rcsb.org RCSB PDB - http://www.rcsb.org + https://www.rcsb.org scm:git:git://github.com/rcsb/ciftools-java.git - scm:git:https://github.com/rcsb/ciftools-java.git - http://github.com/rcsb/ciftools-java - ciftools-java-2.0.2 + scm:git:git@github.com:rcsb/ciftools-java.git + https://github.com/rcsb/ciftools-java + HEAD @@ -50,15 +50,21 @@ com.google.code.gson gson - 2.8.5 + 2.13.2 compile - junit - junit - 4.12 + org.junit.jupiter + junit-jupiter-api + 6.0.2 + test + + + org.junit.jupiter + junit-jupiter-engine + 6.0.2 test @@ -66,6 +72,8 @@ UTF-8 UTF-8 + rcsb + https://sonarcloud.io @@ -73,42 +81,40 @@ org.apache.maven.plugins maven-compiler-plugin - 3.6.1 + 3.14.1 - 11 - 11 + 11 + + + + org.apache.maven.plugins + maven-surefire-plugin + 3.5.4 + + true - - - - - ossrh - https://oss.sonatype.org/content/repositories/snapshots - - - ossrh - https://oss.sonatype.org/service/local/staging/deploy/maven2/ - - - release - + - org.sonatype.plugins - nexus-staging-maven-plugin + org.sonatype.central + central-publishing-maven-plugin + 0.10.0 true - ossrh - https://oss.sonatype.org/ - false + central + + + true + + published @@ -116,6 +122,7 @@ org.apache.maven.plugins maven-gpg-plugin + 3.2.8 sign-artifacts @@ -138,6 +145,7 @@ org.apache.maven.plugins maven-source-plugin + 3.4.0 attach-sources @@ -152,7 +160,7 @@ org.apache.maven.plugins maven-javadoc-plugin - 3.1.0 + 3.12.0 11 diff --git a/src/main/java/org/rcsb/cif/CifBuilder.java b/src/main/java/org/rcsb/cif/CifBuilder.java index f799ab5b2..1d1cd84f5 100644 --- a/src/main/java/org/rcsb/cif/CifBuilder.java +++ b/src/main/java/org/rcsb/cif/CifBuilder.java @@ -10,6 +10,10 @@ * The entry point to create {@link CifFile} instances programmatically. */ public class CifBuilder { + private CifBuilder() { + // nothing here + } + /** * Start a new file without providing any schema. * @return a generic builder instance diff --git a/src/main/java/org/rcsb/cif/CifIO.java b/src/main/java/org/rcsb/cif/CifIO.java index 19a1f444d..8150d79c8 100644 --- a/src/main/java/org/rcsb/cif/CifIO.java +++ b/src/main/java/org/rcsb/cif/CifIO.java @@ -28,6 +28,10 @@ public class CifIO { private static final int BUFFER_SIZE = 65536; private static final CifOptions DEFAULT_OPTIONS = CifOptions.builder().build(); + private CifIO() { + // nothing here + } + /** * Read a {@link CifFile} from web. Refine the address via {@link CifOptions.CifOptionsBuilder#fetchUrl(String)}. Otherwise * binaryCIF will be loaded. diff --git a/src/main/java/org/rcsb/cif/CifOptions.java b/src/main/java/org/rcsb/cif/CifOptions.java index 40059d1e4..3e0f31032 100644 --- a/src/main/java/org/rcsb/cif/CifOptions.java +++ b/src/main/java/org/rcsb/cif/CifOptions.java @@ -91,7 +91,7 @@ public String getFetchUrl() { public boolean filterCategory(String categoryName) { if (categoryBlacklist.contains(categoryName)) { return false; - } else return categoryWhitelist.size() <= 0 || categoryWhitelist.contains(categoryName); + } else return categoryWhitelist.isEmpty() || categoryWhitelist.contains(categoryName); } /** @@ -145,7 +145,6 @@ public static CifOptionsBuilder builder() { public static class CifOptionsBuilder { private static final String FETCH_URL = "https://models.rcsb.org/%s.bcif"; - private boolean generic = false; private boolean gzip = false; private String encoder = BinaryCifCodec.CODEC_NAME; private String fetchUrl = FETCH_URL; diff --git a/src/main/java/org/rcsb/cif/Demo.java b/src/main/java/org/rcsb/cif/Demo.java index 42b9107aa..53758e97a 100644 --- a/src/main/java/org/rcsb/cif/Demo.java +++ b/src/main/java/org/rcsb/cif/Demo.java @@ -13,11 +13,13 @@ import java.util.OptionalDouble; import java.util.OptionalInt; -public class Demo { +class Demo { public static void main(String[] args) throws IOException { parseFile(); System.out.println(); buildModel(); + System.out.println(); + convertAlphaFold(); } private static void parseFile() throws IOException { @@ -116,4 +118,22 @@ private static void buildModel() throws IOException { .values() .forEach(System.out::println); } + + private static void convertAlphaFold() throws IOException { + String id = "AF-Q76EI6-F1-model_v6"; + + CifFile cifFile = CifIO.readFromURL(new URL("https://alphafold.ebi.ac.uk/files/" + id + ".cif")); + MmCifFile mmCifFile = cifFile.as(StandardSchemata.MMCIF); + + // print average quality score + System.out.println(mmCifFile.getFirstBlock() + .getMaQaMetricLocal() + .getMetricValue() + .values() + .average() + .orElseThrow()); + + // convert to BinaryCIF representation + byte[] output = CifIO.writeBinary(mmCifFile); + } } diff --git a/src/main/java/org/rcsb/cif/binary/BinaryCifWriter.java b/src/main/java/org/rcsb/cif/binary/BinaryCifWriter.java index 25988f25e..4e6cb6e52 100644 --- a/src/main/java/org/rcsb/cif/binary/BinaryCifWriter.java +++ b/src/main/java/org/rcsb/cif/binary/BinaryCifWriter.java @@ -26,7 +26,6 @@ import java.util.LinkedHashMap; import java.util.List; import java.util.Map; -import java.util.Optional; import java.util.stream.Collectors; public class BinaryCifWriter { @@ -58,6 +57,7 @@ private Map encodeFile(CifFile cifFile) { // filter category names List filteredCategories = cifBlock.categories() + .filter(Category::isDefined) // at least 1 row present .filter(category -> options.filterCategory(category.getCategoryName())) .collect(Collectors.toList()); Object[] categories = new Object[filteredCategories.size()]; @@ -69,9 +69,6 @@ private Map encodeFile(CifFile cifFile) { for (Category category : filteredCategories) { String categoryName = category.getCategoryName(); int rowCount = category.getRowCount(); - if (rowCount == 0) { - continue; - } Map categoryMap = new LinkedHashMap<>(); categoryMap.put("name", "_" + category.getCategoryName()); @@ -90,22 +87,23 @@ private Map encodeFile(CifFile cifFile) { return file; } - private ByteArray encodeFloatArray(String categoryName, String columnName, Float64Array column) { - Optional optional = options.getEncodingStrategyHint(categoryName, columnName); - - // if no hint given, auto-classify column - EncodingStrategyHint hint = optional.orElseGet(() -> Classifier.classify(column)); - // if no encoding given, auto-classify encoding - String encoding = hint.getEncoding() != null ? hint.getEncoding() : Classifier.classify(column).getEncoding(); - // if multiplier/precision not given, auto-classify only precision - EncodingStrategyHint precisionClassification = Classifier.classifyPrecision(column); - if ("byte".equals(precisionClassification.getEncoding())) { + private ByteArray encodeFloatArray(Float64Array column, EncodingStrategyHint optional) { + // if no hint given, classify column + EncodingStrategyHint hint = optional != null ? optional : Classifier.classify(column); + if (hint.getEncoding() == null) { + hint.setEncoding(Classifier.classify(column).getEncoding()); + } + if ("byte".equals(hint.getEncoding())) { return column.encode(); } - int multiplier = getMultiplier(hint.getPrecision() != null ? hint.getPrecision() : precisionClassification.getPrecision()); + if (hint.getPrecision() == null) { + hint.setPrecision(Classifier.classify(column).getPrecision()); + } + + int multiplier = getMultiplier(hint.getPrecision()); Int32Array fixedPoint = column.encode(new FixedPointEncoding(multiplier)); - return Classifier.encode(fixedPoint, encoding); + return Classifier.encode(fixedPoint, hint.getEncoding()); } private static int getMultiplier(int mantissaDigits) { @@ -116,36 +114,162 @@ private static int getMultiplier(int mantissaDigits) { return m; } - private ByteArray encodeIntArray(String categoryName, String columnName, Int32Array column) { - Optional optional = options.getEncodingStrategyHint(categoryName, columnName).map(EncodingStrategyHint::getEncoding); - - // if no hint given, auto-classify column - String encoding = optional.orElseGet(() -> Classifier.classify(column).getEncoding()); - + private ByteArray encodeIntArray(Int32Array column, EncodingStrategyHint optional) { + // if no hint given, classify column + String encoding = optional != null && optional.getEncoding() != null ? optional.getEncoding() : Classifier.classify(column).getEncoding(); return Classifier.encode(column, encoding); } private Map encodeColumn(String categoryName, Column cifColumn) { - if (cifColumn instanceof FloatColumn) { - FloatColumn floatCol = (FloatColumn) cifColumn; - double[] array = floatCol.getArray(); - ByteArray byteArray = encodeFloatArray(categoryName, cifColumn.getColumnName(), new Float64Array(array)); - return encodeColumnUsingByteArray(cifColumn, byteArray); - } else if (cifColumn instanceof IntColumn) { - IntColumn intCol = (IntColumn) cifColumn; - int[] array = intCol.getArray(); - ByteArray byteArray = encodeIntArray(categoryName, cifColumn.getColumnName(), new Int32Array(array)); - return encodeColumnUsingByteArray(cifColumn, byteArray); - } else if (cifColumn instanceof StrColumn) { - StrColumn strCol = (StrColumn) cifColumn; - String[] array = strCol.getArray(); - ByteArray byteArray = new StringArray(array).encode(new StringArrayEncoding()); - return encodeColumnUsingByteArray(cifColumn, byteArray); - } else { - // column is typed but unknown - String[] array = cifColumn.stringData().toArray(String[]::new); - ByteArray byteArray = new StringArray(array).encode(new StringArrayEncoding()); - return encodeColumnUsingByteArray(cifColumn, byteArray); + // TODO encoding provider support and/or make auto-classify configurable + EncodingStrategyHint optional = options.getEncodingStrategyHint(categoryName, cifColumn.getColumnName()).orElse(null); + ColumnType type = ColumnType.of(cifColumn); + switch (type) { + case Str: + return encodeStr(cifColumn); + case Float: + return encodeFloat(cifColumn, optional); + case Int: + return encodeInt(cifColumn, optional); + default: + throw new UnsupportedOperationException(type + " not handled"); + } + } + + private Map encodeStr(Column cifColumn) { + String[] array = cifColumn instanceof StrColumn ? + ((StrColumn) cifColumn).getArray() : + cifColumn.stringData().toArray(String[]::new); + ByteArray byteArray = new StringArray(array).encode(new StringArrayEncoding()); + return encodeColumnUsingByteArray(cifColumn, byteArray); + } + + private Map encodeFloat(Column cifColumn, EncodingStrategyHint optional) { + double[] array = cifColumn instanceof FloatColumn ? + ((FloatColumn) cifColumn).getArray() : + cifColumn.stringData().mapToDouble(FloatColumn::parseFloat).toArray(); + ByteArray byteArray = encodeFloatArray(new Float64Array(array), optional); + return encodeColumnUsingByteArray(cifColumn, byteArray); + } + + private Map encodeInt(Column cifColumn, EncodingStrategyHint optional) { + int[] array = cifColumn instanceof IntColumn ? + ((IntColumn) cifColumn).getArray() : + cifColumn.stringData().mapToInt(IntColumn::parseInt).toArray(); + ByteArray byteArray = encodeIntArray(new Int32Array(array), optional); + return encodeColumnUsingByteArray(cifColumn, byteArray); + } + + enum ColumnType { + Int, + Float, + Str; + + static ColumnType of(Column column) { + int floatCount = 0; + boolean hasStringOrScientific = false; + int undefinedCount = 0; + for (int i = 0; i < column.getRowCount(); i++) { + ValueKind valueKind = column.getValueKind(i); + if (valueKind != ValueKind.PRESENT) { + undefinedCount++; + continue; + } + NumberType type = NumberType.of(column.getStringData(i)); + if (type == NumberType.Int) { + continue; + } else if (type == NumberType.Float) { + floatCount++; + } else { + hasStringOrScientific = true; + break; + } + } + if (hasStringOrScientific || undefinedCount == column.getRowCount()) { + return Str; + } + if (floatCount > 0) { + return Float; + } + return Int; + } + } + + enum NumberType { + Int, + Float, + Scientific, + NaN; + + static NumberType of(String v) { + int start = 0; + int end = v.length(); + + if (v.charAt(start) == '-') { + start++; + } + + if (v.charAt(start) == '.' && end - start == 1) { + return NaN; + } + + while (start < end) { + int c = v.charAt(start); + if (c >= '0' && c < ':') { + start++; + } else if (c == '.') { + start++; + boolean hasDigit = false; + while (start < end) { + c = v.charAt(start); + if (c >= '0' && c < ':') { + hasDigit = true; + start++; + } else if (c == 'e' || c == 'E') { + return getNumberTypeScientific(v, start + 1, end); + } else { + return NaN; + } + } + return hasDigit ? Float : Int; + } else if (c == 'e' || c == 'E') { + if (start == 0 || start == 1 && v.charAt(0) == '-') { + return NaN; + } + return getNumberTypeScientific(v, start + 1, end); + } else { + break; + } + } + + // long sequences of numbers might exceed what can actually be stored as int + if (end >= 10) { + try { + // 'expensive' check to see whether some String fits into 32 bit + Integer.parseInt(v); + } catch (NumberFormatException e) { + return NaN; + } + } + + return start == end ? Int : NaN; + } + + // check for "scientific integers?" + static NumberType getNumberTypeScientific(String v, int start, int end) { + if (start >= v.length()) return NaN; // might happen to end with e/E + // handle + in '1e+1' separately. + if (v.charAt(start) == '+') start++; + return isInt(v, start, end) ? NumberType.Scientific : NumberType.NaN; + } + + static boolean isInt(String v, int start, int end) { + if (v.charAt(start) == '-') { start++; } + for (; start < end; start++) { + int c = v.charAt(start) - '0'; + if (c > 9 || c < 0) return false; + } + return true; } } @@ -177,8 +301,9 @@ private Map encodeColumnUsingByteArray(Column cifField, ByteA encodedMap.put("data", byteArray.getData()); // encode mask - Map maskData = new LinkedHashMap<>(); + Map maskData = null; if (!allPresent) { + maskData = new LinkedHashMap<>(); ByteArray maskRLE = mask.encode(new RunLengthEncoding()).encode(); if (maskRLE.getData().length < mask.getData().length) { diff --git a/src/main/java/org/rcsb/cif/binary/Classifier.java b/src/main/java/org/rcsb/cif/binary/Classifier.java index 0a434188d..578765632 100644 --- a/src/main/java/org/rcsb/cif/binary/Classifier.java +++ b/src/main/java/org/rcsb/cif/binary/Classifier.java @@ -5,7 +5,6 @@ import org.rcsb.cif.binary.data.Float64Array; import org.rcsb.cif.binary.data.FloatArray; import org.rcsb.cif.binary.data.Int32Array; -import org.rcsb.cif.binary.data.IntArray; import org.rcsb.cif.binary.encoding.DeltaEncoding; import org.rcsb.cif.binary.encoding.FixedPointEncoding; import org.rcsb.cif.binary.encoding.IntegerPackingEncoding; @@ -20,6 +19,10 @@ * efficient encoding strategy which results in the most compact storage of the data. */ public class Classifier { + private Classifier() { + // nothing here + } + /** * Auto-encodes this {@link Int32Array} by the encoding strategy with the minimal size. * @param data the data to encode @@ -27,12 +30,13 @@ public class Classifier { */ public static EncodingStrategyHint classify(Int32Array data) { EncodingStrategyHint hint = new EncodingStrategyHint(); - if (data.getData().length < 2) { + int[] d = data.getData(); + if (d.length < 2) { hint.setEncoding("byte"); return hint; } - EncodingSize size = getSize(data); + EncodingSize size = getSize(d); hint.setEncoding(size.kind); return hint; } @@ -186,14 +190,21 @@ private static EncodingSize deltaRleSize(int[] data) { return new EncodingSize(byteSize(size), "delta-rle"); } - private static IntColumnInfo getInfo(IntArray data) { - boolean signed = data.isSigned(); + private static IntColumnInfo getInfo(int[] data) { + boolean signed = false; + // can't rely on NumberArray#isSigned here as storage type doesn't necessarily reflect actual data + for (int d : data) { + if (d < 0) { + signed = true; + break; + } + } return signed ? IntColumnInfo.SIGNED_INFO : IntColumnInfo.UNSIGNED_INFO; } static class IntColumnInfo { - final static IntColumnInfo SIGNED_INFO = new IntColumnInfo(true, 0x7F, 0x7FFF); - final static IntColumnInfo UNSIGNED_INFO = new IntColumnInfo(false, 0xFF, 0xFFFF); + static final IntColumnInfo SIGNED_INFO = new IntColumnInfo(true, 0x7F, 0x7FFF); + static final IntColumnInfo UNSIGNED_INFO = new IntColumnInfo(false, 0xFF, 0xFFFF); final boolean signed; final int limit8; @@ -206,8 +217,8 @@ static class IntColumnInfo { } } - private static EncodingSize getSize(IntArray data) { - return getSize(data.getData(), getInfo(data)); + private static EncodingSize getSize(int[] data) { + return getSize(data, getInfo(data)); } private static EncodingSize getSize(int[] array, IntColumnInfo info) { @@ -238,7 +249,7 @@ public static EncodingStrategyHint classify(Float64Array data) { intArray[i] = (int) Math.round(doubles[i] * multiplier); } - EncodingSize size = getSize(intArray, IntColumnInfo.SIGNED_INFO); + EncodingSize size = getSize(intArray); hint.setEncoding(size.kind); return hint; } @@ -310,8 +321,8 @@ private static int[] getArrayDigitCount(double[] xs, int maxDigits) { * If no such M exists, return -1. */ private static int getMantissaMultiplier(double v, int maxDigits) { - int m = 1, i; - for (i = 0; i < maxDigits; i++) { + int m = 1; + for (int i = 0; i < maxDigits; i++) { double mv = m * v; if (Math.abs(Math.round(mv) - mv) <= DELTA) { return i; diff --git a/src/main/java/org/rcsb/cif/binary/codec/BinaryCifCodec.java b/src/main/java/org/rcsb/cif/binary/codec/BinaryCifCodec.java index edae69197..36801ba3b 100644 --- a/src/main/java/org/rcsb/cif/binary/codec/BinaryCifCodec.java +++ b/src/main/java/org/rcsb/cif/binary/codec/BinaryCifCodec.java @@ -26,6 +26,10 @@ public class BinaryCifCodec { public static final String MIN_VERSION = "0.3"; public static final boolean IS_NATIVE_LITTLE_ENDIAN = ByteOrder.nativeOrder().equals(ByteOrder.LITTLE_ENDIAN); + private BinaryCifCodec() { + // nothing here + } + /** * Request decoding of this {@link EncodedData} instance. Will automatically resolve its decoding chain, starting * from a ByteArray until 'raw' data represented by Int32Array, Float64Array, or StringArray classes is achieved diff --git a/src/main/java/org/rcsb/cif/binary/codec/MessagePackCodec.java b/src/main/java/org/rcsb/cif/binary/codec/MessagePackCodec.java index 5105f7f1d..33dacec63 100644 --- a/src/main/java/org/rcsb/cif/binary/codec/MessagePackCodec.java +++ b/src/main/java/org/rcsb/cif/binary/codec/MessagePackCodec.java @@ -17,6 +17,10 @@ * considered. */ public class MessagePackCodec { + private MessagePackCodec() { + // nothing here + } + public static byte[] encode(Map input) { try { ByteArrayOutputStream byteArrayOutputStream = new ByteArrayOutputStream(); @@ -171,9 +175,9 @@ private static void encodeInternal(Object input, DataOutputStream stream) throws } } else { Map value = (Map) input; - for (Object key : value.keySet()) { - encodeInternal(key, stream); - encodeInternal(value.get(key), stream); + for (Map.Entry entry : value.entrySet()) { + encodeInternal(entry.getKey(), stream); + encodeInternal(entry.getValue(), stream); } } } @@ -279,9 +283,9 @@ private static Object decodeInternal(DataInputStream inputStream) throws IOExcep // map32 case 0xDF: return map(inputStream, readUnsignedInt(inputStream)); + default: + throw new IllegalArgumentException("Unknown MessagePack type 0x" + type); } - - throw new IllegalArgumentException("Unknown MessagePack type 0x" + type); } private static int readUnsignedInt(DataInputStream inputStream) throws IOException { diff --git a/src/main/java/org/rcsb/cif/binary/data/AbstractEncodedData.java b/src/main/java/org/rcsb/cif/binary/data/AbstractEncodedData.java index 933c3ae45..9992bf483 100644 --- a/src/main/java/org/rcsb/cif/binary/data/AbstractEncodedData.java +++ b/src/main/java/org/rcsb/cif/binary/data/AbstractEncodedData.java @@ -29,6 +29,6 @@ public void setEncoding(Deque> encoding) { @Override public boolean hasNextDecodingStep() { - return getEncoding().size() > 0; + return !getEncoding().isEmpty(); } } diff --git a/src/main/java/org/rcsb/cif/binary/data/Float32Array.java b/src/main/java/org/rcsb/cif/binary/data/Float32Array.java index 1a07317d7..c02aa3f51 100644 --- a/src/main/java/org/rcsb/cif/binary/data/Float32Array.java +++ b/src/main/java/org/rcsb/cif/binary/data/Float32Array.java @@ -42,11 +42,6 @@ public double[] getData() { return (double[]) data; } - @Override - public int length() { - return getData().length; - } - @Override public byte[] toByteArray() { ByteBuffer buffer = ByteBuffer.allocate(length() * NUMBER_OF_BYTES); diff --git a/src/main/java/org/rcsb/cif/binary/data/Float64Array.java b/src/main/java/org/rcsb/cif/binary/data/Float64Array.java index b1d6131bb..775646555 100644 --- a/src/main/java/org/rcsb/cif/binary/data/Float64Array.java +++ b/src/main/java/org/rcsb/cif/binary/data/Float64Array.java @@ -42,11 +42,6 @@ public double[] getData() { return (double[]) data; } - @Override - public int length() { - return getData().length; - } - @Override public byte[] toByteArray() { ByteBuffer buffer = ByteBuffer.allocate(length() * NUMBER_OF_BYTES); diff --git a/src/main/java/org/rcsb/cif/binary/data/NumberArray.java b/src/main/java/org/rcsb/cif/binary/data/NumberArray.java index 642ec9f90..c2973c2d6 100644 --- a/src/main/java/org/rcsb/cif/binary/data/NumberArray.java +++ b/src/main/java/org/rcsb/cif/binary/data/NumberArray.java @@ -14,7 +14,7 @@ public interface NumberArray extends EncodedData { /** * The number of bytes used in this representation to describe a single value (e.g. 1 for {@link Int8Array} and up * to 8 for {@link Float64Array}). - * @return a number between 1 and 4 + * @return a number between 1 and 8 */ int getNumberOfBytes(); diff --git a/src/main/java/org/rcsb/cif/binary/encoding/IntegerPackingEncoding.java b/src/main/java/org/rcsb/cif/binary/encoding/IntegerPackingEncoding.java index 6915f3cfa..f0d9792dd 100644 --- a/src/main/java/org/rcsb/cif/binary/encoding/IntegerPackingEncoding.java +++ b/src/main/java/org/rcsb/cif/binary/encoding/IntegerPackingEncoding.java @@ -104,10 +104,6 @@ public IntArray encode(Int32Array data) { Packing packing = determinePacking(input); if (packing.bytesPerElement == 4) { Deque> enc = new ArrayDeque<>(data.getEncoding()); - this.byteCount = 4; - this.isUnsigned = false; - this.srcSize = input.length; - enc.add(this); return new Int32Array(input, enc); } @@ -182,7 +178,7 @@ private Packing determinePacking(int[] input) { long size8 = packingSize(input, signed ? 0x7F : 0xFF); long size16 = packingSize(input, signed ? 0x7FFF : 0xFFFF); - if (input.length * 4 < size16 * 2) { + if (input.length * 4L < size16 * 2) { // 4 byte packing is the most effective return new Packing(signed, input.length, 4); } else if (size16 * 2 < size8) { diff --git a/src/main/java/org/rcsb/cif/model/CategoryBuilder.java b/src/main/java/org/rcsb/cif/model/CategoryBuilder.java index 35ce05490..9f5acaa58 100644 --- a/src/main/java/org/rcsb/cif/model/CategoryBuilder.java +++ b/src/main/java/org/rcsb/cif/model/CategoryBuilder.java @@ -112,9 +112,9 @@ static > C createColumnText(String columnName, List value startToken[i] = builder.length(); String value = String.valueOf(values.get(i)); if (mask.get(i) == ValueKind.NOT_PRESENT) { - value = "."; + value = ValueKind.CIF_NOT_PRESENT; } else if (mask.get(i) == ValueKind.UNKNOWN) { - value = "?"; + value = ValueKind.CIF_UNKNOWN; } builder.append(value); endToken[i] = builder.length(); diff --git a/src/main/java/org/rcsb/cif/model/FloatColumn.java b/src/main/java/org/rcsb/cif/model/FloatColumn.java index 00902e7fb..362bce834 100644 --- a/src/main/java/org/rcsb/cif/model/FloatColumn.java +++ b/src/main/java/org/rcsb/cif/model/FloatColumn.java @@ -20,7 +20,7 @@ public interface FloatColumn extends Column { */ default DoubleStream values() { double[] array = getArray(); - return array != null ? Arrays.stream(getArray()) : DoubleStream.empty(); + return array != null ? Arrays.stream(array) : DoubleStream.empty(); } /** @@ -29,7 +29,7 @@ default DoubleStream values() { * @return a double */ static double parseFloat(String text) { - if (text.isEmpty() || ".".equals(text) || "?".equals(text)) { + if (text.isEmpty() || ValueKind.isValueKindToken(text)) { return 0; } // some formats specify uncertain decimal places like: 0.00012(3) - ignore them (in agreement with Mol*) diff --git a/src/main/java/org/rcsb/cif/model/FloatColumnBuilder.java b/src/main/java/org/rcsb/cif/model/FloatColumnBuilder.java index 8a397c977..51c241acb 100644 --- a/src/main/java/org/rcsb/cif/model/FloatColumnBuilder.java +++ b/src/main/java/org/rcsb/cif/model/FloatColumnBuilder.java @@ -1,6 +1,7 @@ package org.rcsb.cif.model; import java.util.List; +import java.util.Objects; /** * A builder instance for {@link FloatColumn} instances. @@ -27,4 +28,60 @@ public interface FloatColumnBuilder

, PP exten * @return this builder instance */ FloatColumnBuilder add(double... values); + + /** + * Add new values with fine-grained control. + *

+ * For {@link ValueKind#PRESENT}, the corresponding entry from {@code values} is appended. + * For {@link ValueKind#NOT_PRESENT} and {@link ValueKind#UNKNOWN}, this method delegates to + * {@link #markNextNotPresent()} and {@link #markNextUnknown()} respectively. + *

+ * @param values array of double values + * @param mask array of {@link ValueKind}, must be the same length as {@code values} + * @return this builder instance + * @throws IllegalArgumentException if arrays differ in size + * @throws NullPointerException if {@code values}, {@code mask}, or any {@code mask[i]} is null + */ + default FloatColumnBuilder addMasked(double[] values, ValueKind[] mask) { + Objects.requireNonNull(values, "values"); + Objects.requireNonNull(mask, "mask"); + if (values.length != mask.length) { + throw new IllegalArgumentException("values.length (" + values.length + ") must equal mask.length (" + mask.length + ")"); + } + + for (int i = 0; i < values.length; i++) { + ValueKind k = Objects.requireNonNull(mask[i], "mask[" + i + "]"); + switch (k) { + case PRESENT: + add(values[i]); + break; + case NOT_PRESENT: + markNextNotPresent(); + break; + case UNKNOWN: + markNextUnknown(); + break; + default: + throw new IllegalStateException("Unhandled ValueKind: " + k); + } + } + return this; + } + + /** + * Add values from an Iterable. + * @param values Double values, null is mapped to ValueKind.NOT_PRESENT (".") + * @return this builder instance + */ + default FloatColumnBuilder addNullable(Iterable values) { + Objects.requireNonNull(values, "values"); + for (Double v : values) { + if (v == null) { + markNextNotPresent(); + } else { + add(v); + } + } + return this; + } } diff --git a/src/main/java/org/rcsb/cif/model/IntColumn.java b/src/main/java/org/rcsb/cif/model/IntColumn.java index a9238b94a..8921815da 100644 --- a/src/main/java/org/rcsb/cif/model/IntColumn.java +++ b/src/main/java/org/rcsb/cif/model/IntColumn.java @@ -20,7 +20,7 @@ public interface IntColumn extends Column { */ default IntStream values() { int[] array = getArray(); - return array != null ? Arrays.stream(getArray()) : IntStream.empty(); + return array != null ? Arrays.stream(array) : IntStream.empty(); } /** @@ -29,9 +29,11 @@ default IntStream values() { * @return an int */ static int parseInt(String text) { - if (text.isEmpty() || ".".equals(text) || "?".equals(text)) { + if (text.isEmpty() || ValueKind.isValueKindToken(text)) { return 0; } - return Integer.parseInt(text); + // some floats may omit decimal places and can be parsed as int: 88. - ignore the dot (in agreement with Mol*) + int index = text.indexOf('.'); + return Integer.parseInt(index == -1 ? text : text.substring(0, index)); } } diff --git a/src/main/java/org/rcsb/cif/model/IntColumnBuilder.java b/src/main/java/org/rcsb/cif/model/IntColumnBuilder.java index bab5087ff..661a69b1a 100644 --- a/src/main/java/org/rcsb/cif/model/IntColumnBuilder.java +++ b/src/main/java/org/rcsb/cif/model/IntColumnBuilder.java @@ -1,6 +1,7 @@ package org.rcsb.cif.model; import java.util.List; +import java.util.Objects; /** * A builder instance for {@link IntColumn} instances. @@ -27,4 +28,60 @@ public interface IntColumnBuilder

, PP extends * @return this builder instance */ IntColumnBuilder add(int... values); + + /** + * Add new values with fine-grained control. + *

+ * For {@link ValueKind#PRESENT}, the corresponding entry from {@code values} is appended. + * For {@link ValueKind#NOT_PRESENT} and {@link ValueKind#UNKNOWN}, this method delegates to + * {@link #markNextNotPresent()} and {@link #markNextUnknown()} respectively. + *

+ * @param values array of int values + * @param mask array of {@link ValueKind}, must be the same length as {@code values} + * @return this builder instance + * @throws IllegalArgumentException if arrays differ in size + * @throws NullPointerException if {@code values}, {@code mask}, or any {@code mask[i]} is null + */ + default IntColumnBuilder addMasked(int[] values, ValueKind[] mask) { + Objects.requireNonNull(values, "values"); + Objects.requireNonNull(mask, "mask"); + if (values.length != mask.length) { + throw new IllegalArgumentException("values.length (" + values.length + ") must equal mask.length (" + mask.length + ")"); + } + + for (int i = 0; i < values.length; i++) { + ValueKind k = Objects.requireNonNull(mask[i], "mask[" + i + "]"); + switch (k) { + case PRESENT: + add(values[i]); + break; + case NOT_PRESENT: + markNextNotPresent(); + break; + case UNKNOWN: + markNextUnknown(); + break; + default: + throw new IllegalStateException("Unhandled ValueKind: " + k); + } + } + return this; + } + + /** + * Add values from an Iterable. + * @param values Integer values, null is mapped to ValueKind.NOT_PRESENT (".") + * @return this builder instance + */ + default IntColumnBuilder addNullable(Iterable values) { + Objects.requireNonNull(values, "values"); + for (Integer v : values) { + if (v == null) { + markNextNotPresent(); + } else { + add(v); + } + } + return this; + } } diff --git a/src/main/java/org/rcsb/cif/model/LinkedCaseInsensitiveMap.java b/src/main/java/org/rcsb/cif/model/LinkedCaseInsensitiveMap.java index 28659fe20..628f6db87 100644 --- a/src/main/java/org/rcsb/cif/model/LinkedCaseInsensitiveMap.java +++ b/src/main/java/org/rcsb/cif/model/LinkedCaseInsensitiveMap.java @@ -1,5 +1,5 @@ /* - * Copyright 2002-2019 the original author or authors. + * Copyright 2002-2022 the original author or authors. * * Licensed under the Apache License, Version 2.0 (the "License"); * you may not use this file except in compliance with the License. @@ -25,7 +25,6 @@ import java.util.LinkedHashMap; import java.util.Locale; import java.util.Map; -import java.util.Objects; import java.util.Set; import java.util.Spliterator; import java.util.function.Consumer; @@ -40,20 +39,27 @@ * *

Does not support {@code null} keys. * - * Part of the spring-framework but really we need just this one class. - * * @author Juergen Hoeller * @author Phillip Webb * @since 3.0 * @param the value type */ public class LinkedCaseInsensitiveMap implements Map, Serializable, Cloneable { + /** + * Default load factor for {@link HashMap}/{@link LinkedHashMap} variants. + */ + private static final float DEFAULT_LOAD_FACTOR = 0.75f; + private final LinkedHashMap targetMap; + private final HashMap caseInsensitiveKeys; + private final Locale locale; private transient volatile Set keySet; + private transient volatile Collection values; + private transient volatile Set> entrySet; @@ -68,40 +74,44 @@ public LinkedCaseInsensitiveMap() { /** * Create a new LinkedCaseInsensitiveMap that stores case-insensitive keys - * according to the given Locale (by default in lower case). + * according to the given Locale (in lower case). * @param locale the Locale to use for case-insensitive key conversion * @see #convertKey(String) */ public LinkedCaseInsensitiveMap(Locale locale) { - this(16, locale); + this(12, locale); // equivalent to LinkedHashMap's initial capacity of 16 } /** * Create a new LinkedCaseInsensitiveMap that wraps a {@link LinkedHashMap} - * with the given initial capacity and stores case-insensitive keys - * according to the default Locale (by default in lower case). - * @param initialCapacity the initial capacity + * with an initial capacity that can accommodate the specified number of + * elements without any immediate resize/rehash operations to be expected, + * storing case-insensitive keys according to the default Locale (in lower case). + * @param expectedSize the expected number of elements (with a corresponding + * capacity to be derived so that no resize/rehash operations are needed) * @see #convertKey(String) */ - public LinkedCaseInsensitiveMap(int initialCapacity) { - this(initialCapacity, null); + public LinkedCaseInsensitiveMap(int expectedSize) { + this(expectedSize, null); } /** * Create a new LinkedCaseInsensitiveMap that wraps a {@link LinkedHashMap} - * with the given initial capacity and stores case-insensitive keys - * according to the given Locale (by default in lower case). - * @param initialCapacity the initial capacity + * with an initial capacity that can accommodate the specified number of + * elements without any immediate resize/rehash operations to be expected, + * storing case-insensitive keys according to the given Locale (in lower case). + * @param expectedSize the expected number of elements (with a corresponding + * capacity to be derived so that no resize/rehash operations are needed) * @param locale the Locale to use for case-insensitive key conversion * @see #convertKey(String) */ - public LinkedCaseInsensitiveMap(int initialCapacity, Locale locale) { - this.targetMap = new LinkedHashMap<>(initialCapacity) { + public LinkedCaseInsensitiveMap(int expectedSize, Locale locale) { + this.targetMap = new LinkedHashMap<>( + (int) (expectedSize / DEFAULT_LOAD_FACTOR), DEFAULT_LOAD_FACTOR) { @Override public boolean containsKey(Object key) { return LinkedCaseInsensitiveMap.this.containsKey(key); } - @Override protected boolean removeEldestEntry(Map.Entry eldest) { boolean doRemove = LinkedCaseInsensitiveMap.this.removeEldestEntry(eldest); @@ -111,7 +121,7 @@ protected boolean removeEldestEntry(Map.Entry eldest) { return doRemove; } }; - this.caseInsensitiveKeys = new HashMap<>(initialCapacity); + this.caseInsensitiveKeys = new HashMap<>((int) (expectedSize / DEFAULT_LOAD_FACTOR), DEFAULT_LOAD_FACTOR); this.locale = (locale != null ? locale : Locale.getDefault()); } @@ -125,6 +135,7 @@ private LinkedCaseInsensitiveMap(LinkedCaseInsensitiveMap other) { this.locale = other.locale; } + // Implementation of java.util.Map @Override @@ -192,7 +203,13 @@ public void putAll(Map map) { public V putIfAbsent(String key, V value) { String oldKey = this.caseInsensitiveKeys.putIfAbsent(convertKey(key), key); if (oldKey != null) { - return this.targetMap.get(oldKey); + V oldKeyValue = this.targetMap.get(oldKey); + if (oldKeyValue != null) { + return oldKeyValue; + } + else { + key = oldKey; + } } return this.targetMap.putIfAbsent(key, value); } @@ -201,7 +218,13 @@ public V putIfAbsent(String key, V value) { public V computeIfAbsent(String key, Function mappingFunction) { String oldKey = this.caseInsensitiveKeys.putIfAbsent(convertKey(key), key); if (oldKey != null) { - return this.targetMap.get(oldKey); + V oldKeyValue = this.targetMap.get(oldKey); + if (oldKeyValue != null) { + return oldKeyValue; + } + else { + key = oldKey; + } } return this.targetMap.computeIfAbsent(key, mappingFunction); } @@ -254,21 +277,18 @@ public Set> entrySet() { } @Override - public boolean equals(Object o) { - if (this == o) return true; - if (o == null || getClass() != o.getClass()) return false; - LinkedCaseInsensitiveMap that = (LinkedCaseInsensitiveMap) o; - return Objects.equals(targetMap, that.targetMap) && - Objects.equals(caseInsensitiveKeys, that.caseInsensitiveKeys) && - Objects.equals(locale, that.locale) && - Objects.equals(keySet, that.keySet) && - Objects.equals(values, that.values) && - Objects.equals(entrySet, that.entrySet); + public LinkedCaseInsensitiveMap clone() { + return new LinkedCaseInsensitiveMap<>(this); + } + + @Override + public boolean equals(Object other) { + return (this == other || this.targetMap.equals(other)); } @Override public int hashCode() { - return Objects.hash(targetMap, caseInsensitiveKeys, locale, keySet, values, entrySet); + return this.targetMap.hashCode(); } @Override @@ -276,12 +296,13 @@ public String toString() { return this.targetMap.toString(); } + // Specific to LinkedCaseInsensitiveMap /** * Return the locale used by this {@code LinkedCaseInsensitiveMap}. * Used for case-insensitive key conversion. - * @return the locale used + * @since 4.3.10 * @see #LinkedCaseInsensitiveMap(Locale) * @see #convertKey(String) */ @@ -297,7 +318,7 @@ public Locale getLocale() { * @return the key to use for storing * @see String#toLowerCase(Locale) */ - private String convertKey(String key) { + protected String convertKey(String key) { return key.toLowerCase(getLocale()); } @@ -306,7 +327,7 @@ private String convertKey(String key) { * @param eldest the candidate entry * @return {@code true} for removing it, {@code false} for keeping it */ - private boolean removeEldestEntry(Map.Entry eldest) { + protected boolean removeEldestEntry(Map.Entry eldest) { return false; } @@ -314,7 +335,9 @@ private String removeCaseInsensitiveKey(String key) { return this.caseInsensitiveKeys.remove(convertKey(key)); } - class KeySet extends AbstractSet { + + private class KeySet extends AbstractSet { + private final Set delegate; KeySet(Set delegate) { @@ -357,7 +380,9 @@ public void forEach(Consumer action) { } } - class Values extends AbstractCollection { + + private class Values extends AbstractCollection { + private final Collection delegate; Values(Collection delegate) { @@ -395,10 +420,12 @@ public void forEach(Consumer action) { } } - class EntrySet extends AbstractSet> { + + private class EntrySet extends AbstractSet> { + private final Set> delegate; - EntrySet(Set> delegate) { + public EntrySet(Set> delegate) { this.delegate = delegate; } @@ -445,16 +472,17 @@ public void forEach(Consumer> action) { } - abstract class EntryIterator implements Iterator { + private abstract class EntryIterator implements Iterator { + private final Iterator> delegate; private Entry last; - EntryIterator() { + public EntryIterator() { this.delegate = targetMap.entrySet().iterator(); } - Entry nextEntry() { + protected Entry nextEntry() { Entry entry = this.delegate.next(); this.last = entry; return entry; @@ -476,7 +504,8 @@ public void remove() { } - class KeySetIterator extends EntryIterator { + private class KeySetIterator extends EntryIterator { + @Override public String next() { return nextEntry().getKey(); @@ -484,7 +513,8 @@ public String next() { } - class ValuesIterator extends EntryIterator { + private class ValuesIterator extends EntryIterator { + @Override public V next() { return nextEntry().getValue(); @@ -492,10 +522,12 @@ public V next() { } - class EntrySetIterator extends EntryIterator> { + private class EntrySetIterator extends EntryIterator> { + @Override public Entry next() { return nextEntry(); } } -} + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/model/StrColumn.java b/src/main/java/org/rcsb/cif/model/StrColumn.java index bcd8cc76d..23fed1f20 100644 --- a/src/main/java/org/rcsb/cif/model/StrColumn.java +++ b/src/main/java/org/rcsb/cif/model/StrColumn.java @@ -20,6 +20,6 @@ public interface StrColumn extends Column { */ default Stream values() { String[] array = getArray(); - return array != null ? Arrays.stream(getArray()) : Stream.empty(); + return array != null ? Arrays.stream(array) : Stream.empty(); } } diff --git a/src/main/java/org/rcsb/cif/model/StrColumnBuilder.java b/src/main/java/org/rcsb/cif/model/StrColumnBuilder.java index 6f8057fa9..90ca17667 100644 --- a/src/main/java/org/rcsb/cif/model/StrColumnBuilder.java +++ b/src/main/java/org/rcsb/cif/model/StrColumnBuilder.java @@ -1,6 +1,7 @@ package org.rcsb.cif.model; import java.util.List; +import java.util.Objects; /** * A builder instance for {@link StrColumn} instances. @@ -27,4 +28,72 @@ public interface StrColumnBuilder

, PP extends * @return this builder instance */ StrColumnBuilder add(String... values); + + /** + * Add new values with fine-grained control. + *

+ * For {@link ValueKind#PRESENT}, the corresponding entry from {@code values} is appended. + * For {@link ValueKind#NOT_PRESENT} and {@link ValueKind#UNKNOWN}, this method delegates to + * {@link #markNextNotPresent()} and {@link #markNextUnknown()} respectively. + *

+ * @param values array of String values + * @param mask array of {@link ValueKind}, must be the same length as {@code values} + * @return this builder instance + * @throws IllegalArgumentException if arrays differ in size + * @throws NullPointerException if {@code values}, {@code mask}, or any {@code mask[i]} is null + */ + default StrColumnBuilder addMasked(String[] values, ValueKind[] mask) { + Objects.requireNonNull(values, "values"); + Objects.requireNonNull(mask, "mask"); + if (values.length != mask.length) { + throw new IllegalArgumentException("values.length (" + values.length + ") must equal mask.length (" + mask.length + ")"); + } + + for (int i = 0; i < values.length; i++) { + ValueKind k = Objects.requireNonNull(mask[i], "mask[" + i + "]"); + if (k == ValueKind.PRESENT && (values[i] == null || ValueKind.isValueKindToken(values[i]))) { + throw new IllegalArgumentException("PRESENT value must not be null, '.' or '?': values[" + i + "]"); + } + switch (k) { + case PRESENT: + add(values[i]); + break; + case NOT_PRESENT: + markNextNotPresent(); + break; + case UNKNOWN: + markNextUnknown(); + break; + default: + throw new IllegalStateException("Unhandled ValueKind: " + k); + } + } + return this; + } + + /** + * Add values from an Iterable. + * @param values String values, null is mapped to NOT_PRESENT ("."); "." and "?" are interpreted as CIF tokens. + * @return this builder instance + */ + default StrColumnBuilder addNullable(Iterable values) { + Objects.requireNonNull(values, "values"); + for (String v : values) { + ValueKind valueKind = ValueKind.fromCifToken(v); + switch (valueKind) { + case PRESENT: + add(v); + break; + case NOT_PRESENT: + markNextNotPresent(); + break; + case UNKNOWN: + markNextUnknown(); + break; + default: + throw new IllegalStateException("Unhandled ValueKind: " + valueKind); + } + } + return this; + } } diff --git a/src/main/java/org/rcsb/cif/model/ValueKind.java b/src/main/java/org/rcsb/cif/model/ValueKind.java index 2f6fb5473..c7564dfa7 100644 --- a/src/main/java/org/rcsb/cif/model/ValueKind.java +++ b/src/main/java/org/rcsb/cif/model/ValueKind.java @@ -16,5 +16,28 @@ public enum ValueKind { /** * The value is unknown - ? in CIF. String values will be empty, number values will be 0. */ - UNKNOWN + UNKNOWN; + + public static final String CIF_NOT_PRESENT = "."; + public static final String CIF_UNKNOWN = "?"; + + /** + * Checks whether a String matches "?" or ".", sequences with special meaning in CIF. + * @param s payload to evaluate + * @return true if this String indicates missing or undefined values + */ + public static boolean isValueKindToken(String s) { + return CIF_NOT_PRESENT.equals(s) || CIF_UNKNOWN.equals(s); + } + + /** + * Transforms a String into a ValueKind. + * @param s payload to evaluate + * @return appropriate ValueKind for "?" and ".", otherwise marked as PRESENT + */ + public static ValueKind fromCifToken(String s) { + if (s == null || s.isEmpty() || CIF_NOT_PRESENT.equals(s)) return NOT_PRESENT; + if (CIF_UNKNOWN.equals(s)) return UNKNOWN; + return PRESENT; + } } diff --git a/src/main/java/org/rcsb/cif/model/binary/BinaryColumn.java b/src/main/java/org/rcsb/cif/model/binary/BinaryColumn.java index 0a5483d45..509e17787 100644 --- a/src/main/java/org/rcsb/cif/model/binary/BinaryColumn.java +++ b/src/main/java/org/rcsb/cif/model/binary/BinaryColumn.java @@ -9,7 +9,7 @@ public abstract class BinaryColumn implements Column { private final boolean hasMask; private final int[] mask; - public BinaryColumn(String name, int rowCount, int[] mask) { + protected BinaryColumn(String name, int rowCount, int[] mask) { this.name = name; this.rowCount = rowCount; this.hasMask = mask != null && mask.length > 0; diff --git a/src/main/java/org/rcsb/cif/model/binary/BinaryStrColumn.java b/src/main/java/org/rcsb/cif/model/binary/BinaryStrColumn.java index 2b543170f..3e2bdf688 100644 --- a/src/main/java/org/rcsb/cif/model/binary/BinaryStrColumn.java +++ b/src/main/java/org/rcsb/cif/model/binary/BinaryStrColumn.java @@ -1,6 +1,7 @@ package org.rcsb.cif.model.binary; import org.rcsb.cif.model.StrColumn; +import org.rcsb.cif.model.ValueKind; public class BinaryStrColumn extends BinaryColumn implements StrColumn { private final String[] data; @@ -21,7 +22,7 @@ public String getStringData(int row) { } private String honorValueKind(String value) { - return (".".equals(value) || "?".equals(value)) ? "" : value; + return ValueKind.isValueKindToken(value) ? "" : value; } @Override diff --git a/src/main/java/org/rcsb/cif/model/builder/CategoryBuilderImpl.java b/src/main/java/org/rcsb/cif/model/builder/CategoryBuilderImpl.java index d5da85c7f..a3ac61f18 100644 --- a/src/main/java/org/rcsb/cif/model/builder/CategoryBuilderImpl.java +++ b/src/main/java/org/rcsb/cif/model/builder/CategoryBuilderImpl.java @@ -27,6 +27,7 @@ public class CategoryBuilderImpl

, PP extends CifFileB protected final P parent; private final List, P, PP>> pendingDigests; private final List, P, PP>> finishedDigests; + private Integer expectedRowCount; public CategoryBuilderImpl(String categoryName, P parent) { this.categoryName = categoryName; @@ -34,6 +35,7 @@ public CategoryBuilderImpl(String categoryName, P parent) { this.parent = parent; this.pendingDigests = new ArrayList<>(); this.finishedDigests = new ArrayList<>(); + this.expectedRowCount = null; } @Override @@ -46,7 +48,6 @@ public Map> getColumns() { return columns; } - @SuppressWarnings("unchecked") @Override public P leaveCategory() { if (parent == null) { @@ -57,6 +58,17 @@ public P leaveCategory() { pendingDigests.stream() .filter(child -> !finishedDigests.contains(child)) .forEach(child -> { + // assert all columns are equal in size + int n = child.getMask().size(); + if (expectedRowCount == null) { + expectedRowCount = n; + } else if (expectedRowCount != n) { + throw new IllegalStateException("Category '" + categoryName + "': column '" + + child.getColumnName() + "' has " + n + " rows, but expected " + expectedRowCount + + " based on previously digested columns. Ensure every column receives exactly one value " + + "per row (use markNextUnknown()/markNextNotPresent() for missing values)."); + } + if (child instanceof IntColumnBuilder) { digest((IntColumnBuilder, P, PP>) child); } else if (child instanceof FloatColumnBuilder) { diff --git a/src/main/java/org/rcsb/cif/model/builder/ColumnBuilderImpl.java b/src/main/java/org/rcsb/cif/model/builder/ColumnBuilderImpl.java index c34fc03ff..50473e470 100644 --- a/src/main/java/org/rcsb/cif/model/builder/ColumnBuilderImpl.java +++ b/src/main/java/org/rcsb/cif/model/builder/ColumnBuilderImpl.java @@ -12,7 +12,7 @@ public abstract class ColumnBuilderImpl

, PP extends BlockBuilder, PPP extends CifFileBuilder> implements ColumnBuilder { private final String categoryName; private final String columnName; - final List mask; + final ArrayList mask; // concrete impl to expose ensureCapacity() final P parent; ColumnBuilderImpl(String categoryName, String columnName, P parent) { diff --git a/src/main/java/org/rcsb/cif/model/builder/FloatColumnBuilderImpl.java b/src/main/java/org/rcsb/cif/model/builder/FloatColumnBuilderImpl.java index 8bd85c667..17ca682d8 100644 --- a/src/main/java/org/rcsb/cif/model/builder/FloatColumnBuilderImpl.java +++ b/src/main/java/org/rcsb/cif/model/builder/FloatColumnBuilderImpl.java @@ -9,14 +9,12 @@ import java.util.ArrayList; import java.util.List; -import java.util.stream.DoubleStream; -import java.util.stream.IntStream; import static org.rcsb.cif.model.CategoryBuilder.createColumnText; public class FloatColumnBuilderImpl

, PP extends BlockBuilder, PPP extends CifFileBuilder> extends ColumnBuilderImpl implements FloatColumnBuilder { - private final List values; + private final ArrayList values; public FloatColumnBuilderImpl(String categoryName, String columnName, P parent) { super(categoryName, columnName, parent); @@ -30,14 +28,14 @@ public List getValues() { @Override public FloatColumnBuilder markNextNotPresent() { - values.add(0.0); + values.add(null); mask.add(ValueKind.NOT_PRESENT); return this; } @Override public FloatColumnBuilder markNextUnknown() { - values.add(0.0); + values.add(null); mask.add(ValueKind.UNKNOWN); return this; } @@ -48,9 +46,14 @@ public FloatColumn build() { } @Override - public FloatColumnBuilder add(double... value) { - DoubleStream.of(value).forEach(values::add); - IntStream.range(0, value.length).mapToObj(i -> ValueKind.PRESENT).forEach(mask::add); + public FloatColumnBuilder add(double... values) { + this.values.ensureCapacity(this.values.size() + values.length); + this.mask.ensureCapacity(this.mask.size() + values.length); + + for (double v : values) { + this.values.add(v); + this.mask.add(ValueKind.PRESENT); + } return this; } diff --git a/src/main/java/org/rcsb/cif/model/builder/IntColumnBuilderImpl.java b/src/main/java/org/rcsb/cif/model/builder/IntColumnBuilderImpl.java index 63a3097e8..5c62162e9 100644 --- a/src/main/java/org/rcsb/cif/model/builder/IntColumnBuilderImpl.java +++ b/src/main/java/org/rcsb/cif/model/builder/IntColumnBuilderImpl.java @@ -9,13 +9,12 @@ import java.util.ArrayList; import java.util.List; -import java.util.stream.IntStream; import static org.rcsb.cif.model.CategoryBuilder.createColumnText; public class IntColumnBuilderImpl

, PP extends BlockBuilder, PPP extends CifFileBuilder> extends ColumnBuilderImpl implements IntColumnBuilder { - private final List values; + private final ArrayList values; public IntColumnBuilderImpl(String categoryName, String columnName, P parent) { super(categoryName, columnName, parent); @@ -29,14 +28,14 @@ public List getValues() { @Override public IntColumnBuilder markNextNotPresent() { - values.add(0); + values.add(null); mask.add(ValueKind.NOT_PRESENT); return this; } @Override public IntColumnBuilder markNextUnknown() { - values.add(0); + values.add(null); mask.add(ValueKind.UNKNOWN); return this; } @@ -48,8 +47,13 @@ public IntColumn build() { @Override public IntColumnBuilder add(int... values) { - IntStream.of(values).forEach(this.values::add); - IntStream.range(0, values.length).mapToObj(i -> ValueKind.PRESENT).forEach(mask::add); + this.values.ensureCapacity(this.values.size() + values.length); + this.mask.ensureCapacity(this.mask.size() + values.length); + + for (int v : values) { + this.values.add(v); + this.mask.add(ValueKind.PRESENT); + } return this; } diff --git a/src/main/java/org/rcsb/cif/model/builder/StrColumnBuilderImpl.java b/src/main/java/org/rcsb/cif/model/builder/StrColumnBuilderImpl.java index 3772a19d3..fef75df02 100644 --- a/src/main/java/org/rcsb/cif/model/builder/StrColumnBuilderImpl.java +++ b/src/main/java/org/rcsb/cif/model/builder/StrColumnBuilderImpl.java @@ -14,7 +14,7 @@ public class StrColumnBuilderImpl

, PP extends BlockBuilder, PPP extends CifFileBuilder> extends ColumnBuilderImpl implements StrColumnBuilder { - private final List values; + private final ArrayList values; public StrColumnBuilderImpl(String categoryName, String columnName, P parent) { super(categoryName, columnName, parent); @@ -28,14 +28,14 @@ public List getValues() { @Override public StrColumnBuilder markNextNotPresent() { - values.add("."); + values.add(null); mask.add(ValueKind.NOT_PRESENT); return this; } @Override public StrColumnBuilder markNextUnknown() { - values.add("?"); + values.add(null); mask.add(ValueKind.UNKNOWN); return this; } @@ -45,16 +45,45 @@ public StrColumn build() { return createColumnText(getColumnName(), values, mask, StrColumn.class); } + /** + * Add one or more string values to this column. + *

+ * CIF has two special tokens for missing data: {@code "."} (not present) and {@code "?"} + * (unknown). This method treats those tokens (and {@code null}) as missingness indicators + * rather than literal payload: + *

    + *
  • {@code "."} -> {@link ValueKind#NOT_PRESENT}
  • + *
  • {@code "?"} or {@code null} -> {@link ValueKind#UNKNOWN}
  • + *
  • anything else -> {@link ValueKind#PRESENT} (stored verbatim)
  • + *
+ *

+ * Note: this means you cannot write a literal value that is exactly {@code "."} or {@code "?"} + * via this overload. If you need explicit control over missingness vs. payload, prefer the + * forthcoming masked overload that accepts {@link ValueKind} alongside values (e.g. {@code addMasked(...)}). + * + * @param values string values to append; {@code null}, {@code "."}, and {@code "?"} are treated specially + * @return this builder instance + */ @Override public StrColumnBuilder add(String... values) { + this.values.ensureCapacity(this.values.size() + values.length); + this.mask.ensureCapacity(this.mask.size() + values.length); + for (String s : values) { - if (".".equals(s)) { - markNextNotPresent(); - } else if ("?".equals(s)) { - markNextUnknown(); - } else { - this.values.add(s); - mask.add(ValueKind.PRESENT); + ValueKind kind = ValueKind.fromCifToken(s); + switch (kind) { + case NOT_PRESENT: + markNextNotPresent(); + break; + case UNKNOWN: + markNextUnknown(); + break; + case PRESENT: + this.values.add(s); + this.mask.add(ValueKind.PRESENT); + break; + default: + throw new IllegalStateException("Unhandled ValueKind: " + kind); } } return this; diff --git a/src/main/java/org/rcsb/cif/model/text/TextColumn.java b/src/main/java/org/rcsb/cif/model/text/TextColumn.java index ea4f1144a..10f857e08 100644 --- a/src/main/java/org/rcsb/cif/model/text/TextColumn.java +++ b/src/main/java/org/rcsb/cif/model/text/TextColumn.java @@ -36,23 +36,17 @@ public String getStringData(int row) { } private String honorValueKind(String value) { - return (".".equals(value) || "?".equals(value)) ? "" : value; + return ValueKind.isValueKindToken(value) ? "" : value; } @Override public ValueKind getValueKind(int row) { String value = textData.substring(startToken[row], endToken[row]); - if (value.isEmpty() || ".".equals(value)) { - return ValueKind.NOT_PRESENT; - } else if ("?".equals(value)) { - return ValueKind.UNKNOWN; - } else { - return ValueKind.PRESENT; - } + return ValueKind.fromCifToken(value); } /** - * Explicitly creates this array by parsing all data in this text column. Don't use this function on for text data - + * Explicitly creates this array by parsing all data in this text column. Don't use this function for text data - * returned array is not cached * @return the requested array */ diff --git a/src/main/java/org/rcsb/cif/schema/DelegatingBlock.java b/src/main/java/org/rcsb/cif/schema/DelegatingBlock.java index ca8312dde..a59a1dfdd 100644 --- a/src/main/java/org/rcsb/cif/schema/DelegatingBlock.java +++ b/src/main/java/org/rcsb/cif/schema/DelegatingBlock.java @@ -2,8 +2,8 @@ import org.rcsb.cif.model.Block; import org.rcsb.cif.model.Category; +import org.rcsb.cif.model.LinkedCaseInsensitiveMap; -import java.util.LinkedHashMap; import java.util.List; import java.util.Map; @@ -26,7 +26,7 @@ public Category getCategory(String name) { @Override public Map getCategories() { - Map categories = new LinkedHashMap<>(); + Map categories = new LinkedCaseInsensitiveMap<>(); for (Map.Entry entry : delegate.getCategories().entrySet()) { categories.put(entry.getKey(), createDelegate(entry.getKey(), entry.getValue())); } diff --git a/src/main/java/org/rcsb/cif/schema/DelegatingCategory.java b/src/main/java/org/rcsb/cif/schema/DelegatingCategory.java index 60d9e0bb9..5df50984d 100644 --- a/src/main/java/org/rcsb/cif/schema/DelegatingCategory.java +++ b/src/main/java/org/rcsb/cif/schema/DelegatingCategory.java @@ -2,9 +2,9 @@ import org.rcsb.cif.model.Category; import org.rcsb.cif.model.Column; +import org.rcsb.cif.model.LinkedCaseInsensitiveMap; import org.rcsb.cif.schema.core.CifCoreBlock; -import java.util.LinkedHashMap; import java.util.List; import java.util.Map; import java.util.stream.Collectors; @@ -33,7 +33,7 @@ public Column getColumn(String name) { @Override public Map> getColumns() { - Map> columns = new LinkedHashMap<>(); + Map> columns = new LinkedCaseInsensitiveMap<>(); for (Map.Entry> entry : delegate.getColumns().entrySet()) { Column column = entry.getValue(); if (column instanceof DelegatingColumn) { @@ -90,10 +90,10 @@ public Map> getColumns() { // the core-cif impl uses 'categoryName_columnName' to identify columns .filter(category -> category.getCategoryName().startsWith(categoryName)) // they are stored as categories with that name, those categories report a single column with an empty name - .collect(Collectors.toMap(this::extractName, category -> category.getColumn(""))); + .collect(Collectors.toMap(this::extractName, category -> category.getColumn(""), (i, j) -> i, LinkedCaseInsensitiveMap::new)); } - private final List CIF_CORE_COLUMN_NAMES = List.of(""); + private static final List CIF_CORE_COLUMN_NAMES = List.of(""); @Override public List getColumnNames() { return CIF_CORE_COLUMN_NAMES; diff --git a/src/main/java/org/rcsb/cif/schema/DelegatingCifFile.java b/src/main/java/org/rcsb/cif/schema/DelegatingCifFile.java index f02bbe71a..53762a495 100644 --- a/src/main/java/org/rcsb/cif/schema/DelegatingCifFile.java +++ b/src/main/java/org/rcsb/cif/schema/DelegatingCifFile.java @@ -21,7 +21,7 @@ public abstract class DelegatingCifFile implements Ci protected final CifFile delegate; private final List blocks; - public DelegatingCifFile(CifFile delegate) { + protected DelegatingCifFile(CifFile delegate) { this.delegate = delegate; this.blocks = delegate.getBlocks() .stream() @@ -44,5 +44,5 @@ public B getFirstBlock() { return blocks.get(0); } - abstract protected B getTypedBlock(Block block); + protected abstract B getTypedBlock(Block block); } diff --git a/src/main/java/org/rcsb/cif/schema/DelegatingColumn.java b/src/main/java/org/rcsb/cif/schema/DelegatingColumn.java index 01551219a..ed14db97d 100644 --- a/src/main/java/org/rcsb/cif/schema/DelegatingColumn.java +++ b/src/main/java/org/rcsb/cif/schema/DelegatingColumn.java @@ -10,6 +10,7 @@ public class DelegatingColumn implements Column { protected final Column delegate; protected final Class type; + protected T array; @SuppressWarnings("unchecked") public DelegatingColumn(Column delegate) { @@ -44,16 +45,12 @@ public ValueKind getValueKind(int row) { @SuppressWarnings("unchecked") @Override public T getArray() { - Object array = delegate.getArray(); - // matches expectation - if (type.isInstance(array)) { - return (T) delegate.getArray(); - } - // empty column if (array == null) { - return null; + Object raw = delegate.getArray(); + // 1st condition: type matches expectation, 2nd check: empty column? + array = (type.isInstance(raw)) ? (T) raw : (raw != null) ? forceType(raw) : null; } - return forceType(array); + return array; } @SuppressWarnings("unchecked") diff --git a/src/main/java/org/rcsb/cif/schema/StandardSchemata.java b/src/main/java/org/rcsb/cif/schema/StandardSchemata.java index 7bb6720cb..e5724a568 100644 --- a/src/main/java/org/rcsb/cif/schema/StandardSchemata.java +++ b/src/main/java/org/rcsb/cif/schema/StandardSchemata.java @@ -11,4 +11,8 @@ public class StandardSchemata { public static final SchemaProvider CIF_CORE = new CifCoreSchemaProvider(); public static final SchemaProvider MMCIF = new MmCifSchemaProvider(); + + private StandardSchemata() { + // nothing here + } } diff --git a/src/main/java/org/rcsb/cif/schema/core/Atom.java b/src/main/java/org/rcsb/cif/schema/core/Atom.java deleted file mode 100644 index 94a0a579f..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/Atom.java +++ /dev/null @@ -1,21 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The CATEGORY of data items used to describe atomic information - * used in crystallographic structure studies. - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class Atom extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "atom"; - - public Atom(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomAnalytical.java b/src/main/java/org/rcsb/cif/schema/core/AtomAnalytical.java new file mode 100644 index 000000000..aa37d7c7b --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/core/AtomAnalytical.java @@ -0,0 +1,111 @@ +package org.rcsb.cif.schema.core; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class AtomAnalytical extends DelegatingCategory.DelegatingCifCoreCategory { + private static final String NAME = "atom_analytical"; + + public AtomAnalytical(CifCoreBlock parentBlock) { + super(NAME, parentBlock); + } + + /** + * Symbol of the element for which a particular composition + * refers to, as given by _atom_analytical.analyte_mass_percent. + * @return StrColumn + */ + public StrColumn getAnalyte() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_analyte")); + } + + /** + * Mass percentage of the analyte element derived from elemental analysis. + * @return FloatColumn + */ + public FloatColumn getAnalyteMassPercent() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_analytical_analyte_mass_percent")); + } + + /** + * Standard uncertainty of _atom_analytical.analyte_mass_percent. + * @return FloatColumn + */ + public FloatColumn getAnalyteMassPercentSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_analytical_analyte_mass_percent_su")); + } + + /** + * Chemical formula of the species for which the corresponding + * _atom_analytical.chemical_species_mass_percent refers. + * + * The following rules apply in the construction of the formula: + * + * 1. Only recognized element symbols may be used. + * + * 2. The first element corresponds to the analyte. The remaining + * elements should be given in alphabetical order by symbol. + * + * 3. Each element symbol is followed by a 'count' number. A count of + * '1' may be omitted. + * + * 4. A space or parenthesis must separate each cluster of (element + * symbol + count). A formula cannot begin with a paranthesis. + * + * 5. Where a group of elements is enclosed in parentheses, the + * multiplier for the group must follow the closing parentheses. + * That is, all element and group multipliers are assumed to be + * printed as subscripted numbers. + * @return StrColumn + */ + public StrColumn getChemicalSpecies() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_chemical_species")); + } + + /** + * Mass percentage of the chemical species given in + * _atom_analytical.chemical_species as derived from elemental analysis. + * + * This is most often used in elemental compositions determined by XRF, + * where elements are reported as equivalent mass percentages of their + * relevant oxide. For example: Al is reported as Al2O3, P is reported + * as P2O5. + * @return FloatColumn + */ + public FloatColumn getChemicalSpeciesMassPercent() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_analytical_chemical_species_mass_percent")); + } + + /** + * Standard uncertainty of _atom_analytical.chemical_species_mass_percent. + * @return FloatColumn + */ + public FloatColumn getChemicalSpeciesMassPercentSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_analytical_chemical_species_mass_percent_su")); + } + + /** + * Arbitrary label uniquely identifying a single composition value. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_id")); + } + + /** + * Arbitrary label identifying the source of an elemental composition. + * This code must match the _atom_analytical_source.id of the associated + * technique in the analytical source list. + * @return StrColumn + */ + public StrColumn getMeasId() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_meas_id")); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomAnalyticalMassLoss.java b/src/main/java/org/rcsb/cif/schema/core/AtomAnalyticalMassLoss.java new file mode 100644 index 000000000..00c5139d7 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/core/AtomAnalyticalMassLoss.java @@ -0,0 +1,93 @@ +package org.rcsb.cif.schema.core; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class AtomAnalyticalMassLoss extends DelegatingCategory.DelegatingCifCoreCategory { + private static final String NAME = "atom_analytical_mass_loss"; + + public AtomAnalyticalMassLoss(CifCoreBlock parentBlock) { + super(NAME, parentBlock); + } + + /** + * Arbitrary label uniquely identifying the source of an elemental + * composition value. This value is used by _atom_analytical.meas_id + * to link individual composition values to their corresponding + * technique of determination. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_mass_loss_id")); + } + + /** + * Arbitrary label identifying the source of an elemental composition. + * This code must match the _atom_analytical_source.id of the associated + * technique in the analytical source list. + * @return StrColumn + */ + public StrColumn getMeasId() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_mass_loss_meas_id")); + } + + /** + * Mass lost by the specimen during specimen preparation expressed + * as a percentage. The temperature at which the mass loss was recorded + * is given by _atom_analytical_mass_loss.temperature. A mass gain + * is represented by a negative value. + * + * This data name would be used to record mass loss on drying, or mass + * loss on ignition, during, for example, fusion bead preparation for + * XRF analysis. + * @return FloatColumn + */ + public FloatColumn getPercent() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_analytical_mass_loss_percent")); + } + + /** + * Standard uncertainty of _atom_analytical_mass_loss.percent. + * @return FloatColumn + */ + public FloatColumn getPercentSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_analytical_mass_loss_percent_su")); + } + + /** + * Text describing the conditions under which the data were collected + * that are not able to be captured using other data names + * within the ATOM_ANALYTICAL_MASS_LOSS category. + * @return StrColumn + */ + public StrColumn getSpecialDetails() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_mass_loss_special_details")); + } + + /** + * The temperature, in kelvin, at which the mass loss was recorded + * as given by _atom_analytical_mass_loss.percent. + * + * This would be used to record the temperature of drying or ignition, + * during, for example, fusion bead preparation for XRF analysis. + * @return FloatColumn + */ + public FloatColumn getTemperature() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_analytical_mass_loss_temperature")); + } + + /** + * Standard uncertainty of _atom_analytical_mass_loss.temperature. + * @return FloatColumn + */ + public FloatColumn getTemperatureSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_analytical_mass_loss_temperature_su")); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomAnalyticalSource.java b/src/main/java/org/rcsb/cif/schema/core/AtomAnalyticalSource.java new file mode 100644 index 000000000..b91270bbd --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/core/AtomAnalyticalSource.java @@ -0,0 +1,63 @@ +package org.rcsb.cif.schema.core; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class AtomAnalyticalSource extends DelegatingCategory.DelegatingCifCoreCategory { + private static final String NAME = "atom_analytical_source"; + + public AtomAnalyticalSource(CifCoreBlock parentBlock) { + super(NAME, parentBlock); + } + + /** + * The make, model or name of the equipment used to determine the + * elemental composition. + * @return StrColumn + */ + public StrColumn getEquipmentMake() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_source_equipment_make")); + } + + /** + * Arbitrary label uniquely identifying the source of an elemental + * composition value. This value is used by _atom_analytical.meas_id + * to link individual composition values to their corresponding + * technique of determination. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_source_id")); + } + + /** + * Text describing the equipment or conditions under which the + * data were collected that are not able to be captured using + * _atom_analytical_source.equipment_make or + * _atom_analytical_source.technique. + * @return StrColumn + */ + public StrColumn getSpecialDetails() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_source_special_details")); + } + + /** + * Succinct text or acronym describing the experimental technique used + * to find the elemental composition. + * + * If further details are required to properly describe the experimental + * technique, or the given acronym is not in common use, use + * _atom_analytical_source.special_details. + * @return StrColumn + */ + public StrColumn getTechnique() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_analytical_source_technique")); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomScatVersusStol.java b/src/main/java/org/rcsb/cif/schema/core/AtomScatVersusStol.java new file mode 100644 index 000000000..cd302aae6 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/core/AtomScatVersusStol.java @@ -0,0 +1,56 @@ +package org.rcsb.cif.schema.core; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class AtomScatVersusStol extends DelegatingCategory.DelegatingCifCoreCategory { + private static final String NAME = "atom_scat_versus_stol"; + + public AtomScatVersusStol(CifCoreBlock parentBlock) { + super(NAME, parentBlock); + } + + /** + * The identity of the atom specie(s) representing this atom type. + * See _atom_type.symbol for further details. + * @return StrColumn + */ + public StrColumn getAtomType() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_scat_versus_stol_atom_type")); + } + + /** + * The value of the scattering factor of a particular atom type at a particular + * stol value. + * @return FloatColumn + */ + public FloatColumn getScatValue() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_scat_versus_stol_scat_value")); + } + + /** + * Standard uncertainty of _atom_scat_versus_stol.scat_value. + * @return FloatColumn + */ + public FloatColumn getScatValueSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_scat_versus_stol_scat_value_su")); + } + + /** + * The value of sin(θ)/λ (sin theta over lambda, stol) to which the + * accompanying atom symbol and scattering factor value correspond. + * + * A regularly spaced grid is strongly recommended. + * @return FloatColumn + */ + public FloatColumn getStolValue() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_scat_versus_stol_stol_value")); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomSite.java b/src/main/java/org/rcsb/cif/schema/core/AtomSite.java index 6a68113ac..e8074c2e0 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AtomSite.java +++ b/src/main/java/org/rcsb/cif/schema/core/AtomSite.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe atom site information - * used in crystallographic structure studies. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AtomSite extends DelegatingCategory.DelegatingCifCoreCategory { @@ -34,7 +33,7 @@ public IntColumn getAttachedHydrogens() { * * B(equiv) = (B~i~ B~j~ B~k~)^1/3^ * - * B~n~ = the principal components of the orthogonalised B^ij^ + * B~n~ = the principal components of the orthogonalized B^ij^ * * The IUCr Commission on Nomenclature recommends against the use * of B for reporting atomic displacement parameters. U, being @@ -42,19 +41,19 @@ public IntColumn getAttachedHydrogens() { * @return FloatColumn */ public FloatColumn getBEquivGeomMean() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_B_equiv_geom_mean")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_b_equiv_geom_mean")); } /** * Isotropic atomic displacement parameter, or equivalent isotropic * atomic displacement parameter, B(equiv), in angstroms squared, - * calculated from anisotropic temperature factor parameters. + * calculated from anisotropic atomic displacement parameters. * - * B(equiv) = (1/3) sum~i~[sum~j~(B^ij^ a*~i~ a*~j~ a~i~ a~j~)] + * B(equiv) = (1/3) sum~i~[sum~j~(B^ij^ a*~i~ a*~j~ a~i~.a~j~)] * - * a = the real-space cell lengths + * a = the real-space cell vectors * a* = the reciprocal-space cell lengths - * B^ij^ = 8 pi^2^ U^ij^ + * B^ij^ = 8 π^2^ U^ij^ * Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776. * * The IUCr Commission on Nomenclature recommends against the use @@ -63,12 +62,12 @@ public FloatColumn getBEquivGeomMean() { * @return FloatColumn */ public FloatColumn getBIsoOrEquiv() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_B_iso_or_equiv")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_b_iso_or_equiv")); } /** - * The _atom_site.label of the atom site to which the 'geometry- - * calculated' atom site is attached. + * The _atom_site.label of the atom site to which the 'geometry-calculated' + * atom site is attached. * @return StrColumn */ public StrColumn getCalcAttachedAtom() { @@ -92,7 +91,7 @@ public StrColumn getCalcFlag() { * @return FloatColumn */ public FloatColumn getCartnX() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_Cartn_x")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_cartn_x")); } /** @@ -100,7 +99,15 @@ public FloatColumn getCartnX() { * @return FloatColumn */ public FloatColumn getCartnXyz() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_Cartn_xyz")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_cartn_xyz")); + } + + /** + * Standard uncertainty of _atom_site.Cartn_xyz. + * @return FloatColumn + */ + public FloatColumn getCartnXyzSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_cartn_xyz_su")); } /** @@ -110,7 +117,7 @@ public FloatColumn getCartnXyz() { * @return FloatColumn */ public FloatColumn getCartnY() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_Cartn_y")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_cartn_y")); } /** @@ -120,7 +127,7 @@ public FloatColumn getCartnY() { * @return FloatColumn */ public FloatColumn getCartnZ() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_Cartn_z")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_cartn_z")); } /** @@ -134,7 +141,7 @@ public IntColumn getChemicalConnNumber() { /** * A description of the constraints applied to parameters at this - * site during refinement. See also _atom_site.refinement_flags + * site during refinement. See also _atom_site.refinement_flags_* * and _refine_ls.number_constraints. * @return StrColumn */ @@ -143,12 +150,11 @@ public StrColumn getConstraints() { } /** - * A code which identifies a cluster of atoms that show long range - * positional disorder but are locally ordered. Within each such - * cluster of atoms, _atom_site.disorder_group is used to identify - * the sites that are simultaneously occupied. This field is only - * needed if there is more than one cluster of disordered atoms - * showing independent local order. + * A code which identifies a cluster of atoms that show long range disorder + * but are locally ordered. Within each such cluster of atoms, + * _atom_site.disorder_group is used to identify the sites that are + * simultaneously occupied. This field is only needed if there is more than + * one cluster of disordered atoms showing independent local order. * @return StrColumn */ public StrColumn getDisorderAssembly() { @@ -156,20 +162,32 @@ public StrColumn getDisorderAssembly() { } /** - * A code that identifies a group of positionally disordered atom - * sites that are locally simultaneously occupied. Atoms that are - * positionally disordered over two or more sites (e.g. the H - * atoms of a methyl group that exists in two orientations) can - * be assigned to two or more groups. Sites belonging to the same - * group are simultaneously occupied, but those belonging to - * different groups are not. A minus prefix (e.g. "-1") is used to - * indicate sites disordered about a special position. + * A code that identifies a group of disordered atom sites that are locally + * simultaneously occupied. Atoms that are positionally disordered over two or + * more sites (e.g. the H atoms of a methyl group that exists in two + * orientations) should be assigned to two or more groups. Similarly, atoms + * that describe a specific alternative composition of a compositionally + * disordered site should be assigned to a distinct disorder group (e.g. a site + * that is partially occupied by Mg and Mn atoms should be described by + * assigning the Mg atom to one group and the Mn atom to another group). Sites + * belonging to the same group are simultaneously occupied, but those belonging + * to different groups are not. A minus prefix (e.g. "-1") is used to indicate + * sites disordered about a special position. * @return StrColumn */ public StrColumn getDisorderGroup() { return new DelegatingStrColumn(parentBlock.getColumn("atom_site_disorder_group")); } + /** + * A symbolic expression that indicates the symmetry-restricted form of the + * components of the positional coordinates of an atom. + * @return StrColumn + */ + public StrColumn getFractSymmform() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_site_fract_symmform")); + } + /** * Atom site coordinates as fractions of the cell length values. * @return FloatColumn @@ -187,6 +205,14 @@ public FloatColumn getFractXyz() { return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_fract_xyz")); } + /** + * Standard uncertainty of _atom_site.fract_xyz. + * @return FloatColumn + */ + public FloatColumn getFractXyzSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_fract_xyz_su")); + } + /** * Atom site coordinates as fractions of the cell length values. * @return FloatColumn @@ -289,7 +315,7 @@ public FloatColumn getOccupancy() { * A concatenated series of single-letter codes which indicate the * refinement restraints or constraints applied to this site. This * item should not be used. It has been replaced by - * _atom_site.refinement_flags_posn, _adp and _occupancy. It is + * _atom_site.refinement_flags_posn, _ADP and _occupancy. It is * retained in this dictionary only to provide compatibility with * legacy CIFs. * @return StrColumn @@ -327,7 +353,7 @@ public StrColumn getRefinementFlagsPosn() { /** * A description of restraints applied to specific parameters at - * this site during refinement. See also _atom_site.refinement_flags + * this site during refinement. See also _atom_site.refinement_flags_* * and _refine_ls.number_restraints. * @return StrColumn */ @@ -348,22 +374,6 @@ public IntColumn getSiteSymmetryOrder() { return new DelegatingIntColumn(parentBlock.getColumn("atom_site_site_symmetry_order")); } - /** - * The symmetric anisotropic atomic displacement tensor beta[I,J] - * appears in a structure factor expression as: - * - * t = exp -[ beta11 h h + ............ 2 beta23 k l ] - * - * It is related to the adp matrices U(IJ) and B(IJ) as follows: - * - * t = exp -2pi**2 ( U11 h h a* a* + ...... 2 U23 k l b* c* ) - * t = exp - 0.25 ( B11 h h a* a* + ...... 2 B23 k l b* c* ) - * @return FloatColumn - */ - public FloatColumn getTensorBeta() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_tensor_beta")); - } - /** * A code to identify the atom specie(s) occupying this site. * This code must match a corresponding _atom_type.symbol. The @@ -382,27 +392,27 @@ public StrColumn getTypeSymbol() { * * U(equiv) = (U~i~ U~j~ U~k~)^1/3^ * - * U~n~ = the principal components of the orthogonalised U^ij^ + * U~n~ = the principal components of the orthogonalized U^ij^ * @return FloatColumn */ public FloatColumn getUEquivGeomMean() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_U_equiv_geom_mean")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_u_equiv_geom_mean")); } /** * Isotropic atomic displacement parameter, or equivalent isotropic - * atomic displacement parameter, U(equiv), in angstroms squared, - * calculated from anisotropic atomic displacement parameters. + * atomic displacement parameter, U(equiv), in angstroms squared, + * calculated from anisotropic atomic displacement parameters. * - * U(equiv) = (1/3) sum~i~[sum~j~(U^ij^ a*~i~ a*~j~ a~i~ a~j~)] + * U(equiv) = (1/3) sum~i~[sum~j~(U^ij^ a*~i~ a*~j~ a~i~.a~j~)] * - * a = the real-space cell lengths + * a = the real-space cell vectors * a* = the reciprocal-space cell lengths * Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776. * @return FloatColumn */ public FloatColumn getUIsoOrEquiv() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_U_iso_or_equiv")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_u_iso_or_equiv")); } /** @@ -411,7 +421,7 @@ public FloatColumn getUIsoOrEquiv() { * @return StrColumn */ public StrColumn getWyckoffSymbol() { - return new DelegatingStrColumn(parentBlock.getColumn("atom_site_Wyckoff_symbol")); + return new DelegatingStrColumn(parentBlock.getColumn("atom_site_wyckoff_symbol")); } /** @@ -431,47 +441,35 @@ public StrColumn getAdpType() { } /** - * Standard Uncertainty value for the - * Equivalent isotropic atomic displacement parameter, B(equiv), - * in angstroms squared, calculated as the geometric mean of - * the anisotropic atomic displacement parameters. + * Standard uncertainty of _atom_site.B_equiv_geom_mean. * @return FloatColumn */ public FloatColumn getBEquivGeomMeanEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_B_equiv_geom_mean_esd", "atom_site_B_equiv_geom_mean_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_B_equiv_geom_mean_esd", "atom_site_b_equiv_geom_mean_su")); } /** - * Standard Uncertainty value for the - * Equivalent isotropic atomic displacement parameter, B(equiv), - * in angstroms squared, calculated as the geometric mean of - * the anisotropic atomic displacement parameters. + * Standard uncertainty of _atom_site.B_equiv_geom_mean. * @return FloatColumn */ public FloatColumn getBEquivGeomMeanSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_B_equiv_geom_mean_esd", "atom_site_B_equiv_geom_mean_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_B_equiv_geom_mean_esd", "atom_site_b_equiv_geom_mean_su")); } /** - * Standard Uncertainty value for the - * Isotropic atomic displacement parameter, or equivalent isotropic - * atomic displacement parameter, B(equiv), in angstroms squared, - * calculated from anisotropic temperature factor parameters. + * Standard uncertainty of _atom_site.B_iso_or_equiv. * @return FloatColumn */ public FloatColumn getBIsoOrEquivEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_B_iso_or_equiv_esd", "atom_site_B_iso_or_equiv_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_B_iso_or_equiv_esd", "atom_site_b_iso_or_equiv_su")); } /** - * Standard Uncertainty value for the - * Isotropic atomic displacement parameter, or equivalent isotropic - * atomic displacement parameter, B(equiv), in angstroms squared, - * calculated from anisotropic temperature factor parameters. + * Standard uncertainty of _atom_site.B_iso_or_equiv. * @return FloatColumn */ public FloatColumn getBIsoOrEquivSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_B_iso_or_equiv_esd", "atom_site_B_iso_or_equiv_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_B_iso_or_equiv_esd", "atom_site_b_iso_or_equiv_su")); } /** @@ -482,7 +480,7 @@ public FloatColumn getBIsoOrEquivSu() { * @return FloatColumn */ public FloatColumn getCartnXEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_x_esd", "atom_site_Cartn_x_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_x_esd", "atom_site_cartn_x_su")); } /** @@ -493,7 +491,7 @@ public FloatColumn getCartnXEsd() { * @return FloatColumn */ public FloatColumn getCartnXSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_x_esd", "atom_site_Cartn_x_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_x_esd", "atom_site_cartn_x_su")); } /** @@ -504,7 +502,7 @@ public FloatColumn getCartnXSu() { * @return FloatColumn */ public FloatColumn getCartnYEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_y_esd", "atom_site_Cartn_y_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_y_esd", "atom_site_cartn_y_su")); } /** @@ -515,7 +513,7 @@ public FloatColumn getCartnYEsd() { * @return FloatColumn */ public FloatColumn getCartnYSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_y_esd", "atom_site_Cartn_y_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_y_esd", "atom_site_cartn_y_su")); } /** @@ -526,7 +524,7 @@ public FloatColumn getCartnYSu() { * @return FloatColumn */ public FloatColumn getCartnZEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_z_esd", "atom_site_Cartn_z_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_z_esd", "atom_site_cartn_z_su")); } /** @@ -537,12 +535,12 @@ public FloatColumn getCartnZEsd() { * @return FloatColumn */ public FloatColumn getCartnZSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_z_esd", "atom_site_Cartn_z_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_Cartn_z_esd", "atom_site_cartn_z_su")); } /** * A description of special aspects of this site. See also - * _atom_site.refinement_flags. + * _atom_site.refinement_flags_*. * @return StrColumn */ public StrColumn getDetails() { @@ -551,7 +549,7 @@ public StrColumn getDetails() { /** * A description of special aspects of this site. See also - * _atom_site.refinement_flags. + * _atom_site.refinement_flags_*. * @return StrColumn */ public StrColumn getDescription() { @@ -661,8 +659,7 @@ public StrColumn getLabel() { } /** - * Standard Uncertainty value for the - * The fraction of the atom type present at this site. + * Standard uncertainty of _atom_site.occupancy. * @return FloatColumn */ public FloatColumn getOccupancyEsd() { @@ -670,8 +667,7 @@ public FloatColumn getOccupancyEsd() { } /** - * Standard Uncertainty value for the - * The fraction of the atom type present at this site. + * Standard uncertainty of _atom_site.occupancy. * @return FloatColumn */ public FloatColumn getOccupancySu() { @@ -686,6 +682,10 @@ public FloatColumn getOccupancySu() { * Vol. A (2002). It is equal to the multiplicity of the general * position divided by the order of the site symmetry given in * _atom_site.site_symmetry_order. + * + * The _atom_site_symmetry_multiplicity form of this data name is + * deprecated because of historical inconsistencies in practice among + * structure refinement software packages and should not be used. * @return IntColumn */ public IntColumn getSymmetryMultiplicity() { @@ -700,6 +700,10 @@ public IntColumn getSymmetryMultiplicity() { * Vol. A (2002). It is equal to the multiplicity of the general * position divided by the order of the site symmetry given in * _atom_site.site_symmetry_order. + * + * The _atom_site_symmetry_multiplicity form of this data name is + * deprecated because of historical inconsistencies in practice among + * structure refinement software packages and should not be used. * @return IntColumn */ public IntColumn getSiteSymmetryMultiplicity() { @@ -707,466 +711,612 @@ public IntColumn getSiteSymmetryMultiplicity() { } /** - * Standard uncertainty values (esds) of the U(equiv). + * Standard uncertainty of _atom_site.U_equiv_geom_mean. * @return FloatColumn */ public FloatColumn getUEquivGeomMeanEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_U_equiv_geom_mean_esd", "atom_site_U_equiv_geom_mean_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_U_equiv_geom_mean_esd", "atom_site_u_equiv_geom_mean_su")); } /** - * Standard uncertainty values (esds) of the U(equiv). + * Standard uncertainty of _atom_site.U_equiv_geom_mean. * @return FloatColumn */ public FloatColumn getUEquivGeomMeanSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_U_equiv_geom_mean_esd", "atom_site_U_equiv_geom_mean_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_U_equiv_geom_mean_esd", "atom_site_u_equiv_geom_mean_su")); } /** - * Standard uncertainty values (esds) of the U(iso) or U(equiv). + * Standard uncertainty of _atom_site.U_iso_or_equiv. * @return FloatColumn */ public FloatColumn getUIsoOrEquivEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_U_iso_or_equiv_esd", "atom_site_U_iso_or_equiv_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_U_iso_or_equiv_esd", "atom_site_u_iso_or_equiv_su")); } /** - * Standard uncertainty values (esds) of the U(iso) or U(equiv). + * Standard uncertainty of _atom_site.U_iso_or_equiv. * @return FloatColumn */ public FloatColumn getUIsoOrEquivSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_U_iso_or_equiv_esd", "atom_site_U_iso_or_equiv_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_U_iso_or_equiv_esd", "atom_site_u_iso_or_equiv_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoB11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_B_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_b_11")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_B_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_b_11")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoB11Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_B_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_b_11_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB11Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_B_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_b_11_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB11Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_B_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_b_11_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoB12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_B_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_b_12")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_B_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_b_12")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoB12Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_B_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_b_12_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB12Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_B_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_b_12_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB12Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_B_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_b_12_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoB13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_B_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_b_13")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_B_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_b_13")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoB13Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_B_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_b_13_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB13Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_B_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_b_13_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB13Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_B_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_b_13_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoB22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_B_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_b_22")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_B_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_b_22")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoB22Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_B_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_b_22_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB22Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_B_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_b_22_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB22Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_B_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_b_22_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoB23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_B_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_b_23")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_B_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_b_23")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoB23Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_B_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_b_23_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB23Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_B_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_b_23_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB23Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_B_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_b_23_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoB33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_B_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_b_33")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_B_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_b_33")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoB33Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_B_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_b_33_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB33Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_B_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_b_33_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB33Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_B_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_b_33_su")); } /** - * Ratio of the maximum to minimum eigenvalues of the atomic - * displacement (thermal) ellipsoids. + * The symmetric anisotropic atomic displacement parameter (ADP) matrix, β, + * which appears in a structure-factor expression. + * + * The contribution of the ADPs to the calculation of the structure factor is + * given as + * + * T = exp{-1 * Sum[Sum(β^ij^ * h~i~ * h~j~, j=1:3), i=1:3]} + * + * where β^ij^ are the matrix elements and h~m~ are the Miller indices. + * + * The ADP matrix β is related to the ADP matrices U and B as follows: + * + * |a~1~* 0 0 | |t^11^ t^12^ t^13^| |a~1~* 0 0 | + * β = C * | 0 a~2~* 0 | * |t^12^ t^22^ t^23^| * | 0 a~2~* 0 | + * | 0 0 a~3~*| |t^13^ t^23^ t^33^| | 0 0 a~3~*| + * + * where C is a constant (2 * π^2^ for U and 0.25 for B), a~i~* is the + * length of the respective reciprocal unit-cell vector, and t represents + * the individual anisotropic values, U^ij^ or B^ij^. + * @return FloatColumn + */ + public FloatColumn getTensorBeta() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_tensor_beta", "atom_site_aniso_matrix_beta")); + } + + /** + * The symmetric anisotropic atomic displacement parameter (ADP) matrix, β, + * which appears in a structure-factor expression. + * + * The contribution of the ADPs to the calculation of the structure factor is + * given as + * + * T = exp{-1 * Sum[Sum(β^ij^ * h~i~ * h~j~, j=1:3), i=1:3]} + * + * where β^ij^ are the matrix elements and h~m~ are the Miller indices. + * + * The ADP matrix β is related to the ADP matrices U and B as follows: + * + * |a~1~* 0 0 | |t^11^ t^12^ t^13^| |a~1~* 0 0 | + * β = C * | 0 a~2~* 0 | * |t^12^ t^22^ t^23^| * | 0 a~2~* 0 | + * | 0 0 a~3~*| |t^13^ t^23^ t^33^| | 0 0 a~3~*| + * + * where C is a constant (2 * π^2^ for U and 0.25 for B), a~i~* is the + * length of the respective reciprocal unit-cell vector, and t represents + * the individual anisotropic values, U^ij^ or B^ij^. + * @return FloatColumn + */ + public FloatColumn getMatrixBeta() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_tensor_beta", "atom_site_aniso_matrix_beta")); + } + + /** + * Standard uncertainty of _atom_site_aniso.matrix_beta. + * @return FloatColumn + */ + public FloatColumn getTensorBetaSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_tensor_beta_su", "atom_site_aniso_matrix_beta_su")); + } + + /** + * Standard uncertainty of _atom_site_aniso.matrix_beta. + * @return FloatColumn + */ + public FloatColumn getMatrixBetaSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_tensor_beta_su", "atom_site_aniso_matrix_beta_su")); + } + + /** + * Ratio of the maximum to minimum eigenvalues of the atomic displacement + * ellipsoids. * @return FloatColumn */ public FloatColumn getRatio() { @@ -1174,8 +1324,8 @@ public FloatColumn getRatio() { } /** - * Ratio of the maximum to minimum eigenvalues of the atomic - * displacement (thermal) ellipsoids. + * Ratio of the maximum to minimum eigenvalues of the atomic displacement + * ellipsoids. * @return FloatColumn */ public FloatColumn getAnisoRatio() { @@ -1183,405 +1333,495 @@ public FloatColumn getAnisoRatio() { } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoU11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_U_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_u_11")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_U_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_u_11")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoU11Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_U_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_u_11_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU11Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_U_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_u_11_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU11Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_U_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_u_11_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoU12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_U_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_u_12")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_U_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_u_12")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoU12Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_U_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_u_12_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU12Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_U_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_u_12_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU12Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_U_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_u_12_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoU13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_U_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_u_13")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_U_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_u_13")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoU13Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_U_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_u_13_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU13Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_U_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_u_13_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU13Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_U_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_u_13_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoU22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_U_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_u_22")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_U_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_u_22")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoU22Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_U_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_u_22_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU22Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_U_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_u_22_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU22Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_U_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_u_22_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoU23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_U_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_u_23")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_U_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_u_23")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoU23Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_U_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_u_23_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU23Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_U_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_u_23_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU23Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_U_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_u_23_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getAnisoU33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_U_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_u_33")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_U_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_u_33")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getAnisoU33Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_U_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_u_33_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU33Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_U_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_u_33_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU33Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_U_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_u_33_su")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomSiteAniso.java b/src/main/java/org/rcsb/cif/schema/core/AtomSiteAniso.java index fdd29e76d..bbdf51e01 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AtomSiteAniso.java +++ b/src/main/java/org/rcsb/cif/schema/core/AtomSiteAniso.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe the anisotropic - * thermal parameters of the atomic sites in a crystal structure. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AtomSiteAniso extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,12 +16,224 @@ public AtomSiteAniso(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * These are the standard unitless anisotropic atomic displacement components + * which appear in the structure factor term + * + * T = exp{-1 sum~i~ [ sum~j~ (β^ij^ h~i~ h~j~) ] } + * + * h = the Miller indices + * + * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends against the use + * of β for reporting atomic displacement parameters; U is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. + * @return FloatColumn + */ + public FloatColumn getBeta11() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_11")); + } + + /** + * These are the standard uncertainty values (s.u.) for the standard + * form of the β^ij^ anisotropic atomic displacement components (see + * aniso_betaIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * β^ij^ calculation. + * @return FloatColumn + */ + public FloatColumn getBeta11Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_11_su")); + } + + /** + * These are the standard unitless anisotropic atomic displacement components + * which appear in the structure factor term + * + * T = exp{-1 sum~i~ [ sum~j~ (β^ij^ h~i~ h~j~) ] } + * + * h = the Miller indices + * + * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends against the use + * of β for reporting atomic displacement parameters; U is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. + * @return FloatColumn + */ + public FloatColumn getBeta12() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_12")); + } + + /** + * These are the standard uncertainty values (s.u.) for the standard + * form of the β^ij^ anisotropic atomic displacement components (see + * aniso_betaIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * β^ij^ calculation. + * @return FloatColumn + */ + public FloatColumn getBeta12Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_12_su")); + } + + /** + * These are the standard unitless anisotropic atomic displacement components + * which appear in the structure factor term + * + * T = exp{-1 sum~i~ [ sum~j~ (β^ij^ h~i~ h~j~) ] } + * + * h = the Miller indices + * + * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends against the use + * of β for reporting atomic displacement parameters; U is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. + * @return FloatColumn + */ + public FloatColumn getBeta13() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_13")); + } + + /** + * These are the standard uncertainty values (s.u.) for the standard + * form of the β^ij^ anisotropic atomic displacement components (see + * aniso_betaIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * β^ij^ calculation. + * @return FloatColumn + */ + public FloatColumn getBeta13Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_13_su")); + } + + /** + * These are the standard unitless anisotropic atomic displacement components + * which appear in the structure factor term + * + * T = exp{-1 sum~i~ [ sum~j~ (β^ij^ h~i~ h~j~) ] } + * + * h = the Miller indices + * + * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends against the use + * of β for reporting atomic displacement parameters; U is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. + * @return FloatColumn + */ + public FloatColumn getBeta22() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_22")); + } + + /** + * These are the standard uncertainty values (s.u.) for the standard + * form of the β^ij^ anisotropic atomic displacement components (see + * aniso_betaIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * β^ij^ calculation. + * @return FloatColumn + */ + public FloatColumn getBeta22Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_22_su")); + } + + /** + * These are the standard unitless anisotropic atomic displacement components + * which appear in the structure factor term + * + * T = exp{-1 sum~i~ [ sum~j~ (β^ij^ h~i~ h~j~) ] } + * + * h = the Miller indices + * + * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends against the use + * of β for reporting atomic displacement parameters; U is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. + * @return FloatColumn + */ + public FloatColumn getBeta23() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_23")); + } + + /** + * These are the standard uncertainty values (s.u.) for the standard + * form of the β^ij^ anisotropic atomic displacement components (see + * aniso_betaIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * β^ij^ calculation. + * @return FloatColumn + */ + public FloatColumn getBeta23Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_23_su")); + } + + /** + * These are the standard unitless anisotropic atomic displacement components + * which appear in the structure factor term + * + * T = exp{-1 sum~i~ [ sum~j~ (β^ij^ h~i~ h~j~) ] } + * + * h = the Miller indices + * + * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends against the use + * of β for reporting atomic displacement parameters; U is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. + * @return FloatColumn + */ + public FloatColumn getBeta33() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_33")); + } + + /** + * These are the standard uncertainty values (s.u.) for the standard + * form of the β^ij^ anisotropic atomic displacement components (see + * aniso_betaIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * β^ij^ calculation. + * @return FloatColumn + */ + public FloatColumn getBeta33Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_beta_33_su")); + } + /** * The symmetric anisotropic atomic displacement matrix B. * @return FloatColumn */ public FloatColumn getMatrixB() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_matrix_B")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_matrix_b")); + } + + /** + * Standard uncertainty of _atom_site_aniso.matrix_B. + * @return FloatColumn + */ + public FloatColumn getMatrixBSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_matrix_b_su")); } /** @@ -30,253 +241,313 @@ public FloatColumn getMatrixB() { * @return FloatColumn */ public FloatColumn getMatrixU() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_matrix_U")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_matrix_u")); + } + + /** + * Standard uncertainty of _atom_site_aniso.matrix_U. + * @return FloatColumn + */ + public FloatColumn getMatrixUSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_site_aniso_matrix_u_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * A symbolic expression that indicates the symmetry-restricted form of the + * components of the anisotropic displacement parameters of an atom, where the + * tensor components are ordered as A11, A22, A33, A23, A13, A12. + * @return StrColumn + */ + public StrColumn getSymmform() { + return new DelegatingStrColumn(parentBlock.getColumn("atom_site_aniso_symmform")); + } + + /** + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_B_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_b_11")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB11Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_B_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_b_11_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB11Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_B_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_b_11_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_B_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_b_12")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB12Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_B_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_b_12_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB12Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_B_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_b_12_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_B_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_b_13")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB13Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_B_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_b_13_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB13Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_B_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_b_13_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_B_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_b_22")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB22Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_B_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_b_22_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB22Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_B_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_b_22_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_B_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_b_23")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB23Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_B_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_b_23_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB23Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_B_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_b_23_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_B_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_b_33")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB33Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_B_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_b_33_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB33Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_B_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_b_33_su")); } /** @@ -302,8 +573,42 @@ public StrColumn getLabel() { } /** - * Ratio of the maximum to minimum eigenvalues of the atomic - * displacement (thermal) ellipsoids. + * The symmetric anisotropic atomic displacement parameter (ADP) matrix, β, + * which appears in a structure-factor expression. + * + * The contribution of the ADPs to the calculation of the structure factor is + * given as + * + * T = exp{-1 * Sum[Sum(β^ij^ * h~i~ * h~j~, j=1:3), i=1:3]} + * + * where β^ij^ are the matrix elements and h~m~ are the Miller indices. + * + * The ADP matrix β is related to the ADP matrices U and B as follows: + * + * |a~1~* 0 0 | |t^11^ t^12^ t^13^| |a~1~* 0 0 | + * β = C * | 0 a~2~* 0 | * |t^12^ t^22^ t^23^| * | 0 a~2~* 0 | + * | 0 0 a~3~*| |t^13^ t^23^ t^33^| | 0 0 a~3~*| + * + * where C is a constant (2 * π^2^ for U and 0.25 for B), a~i~* is the + * length of the respective reciprocal unit-cell vector, and t represents + * the individual anisotropic values, U^ij^ or B^ij^. + * @return FloatColumn + */ + public FloatColumn getMatrixBeta() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_tensor_beta", "atom_site_aniso_matrix_beta")); + } + + /** + * Standard uncertainty of _atom_site_aniso.matrix_beta. + * @return FloatColumn + */ + public FloatColumn getMatrixBetaSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_tensor_beta_su", "atom_site_aniso_matrix_beta_su")); + } + + /** + * Ratio of the maximum to minimum eigenvalues of the atomic displacement + * ellipsoids. * @return FloatColumn */ public FloatColumn getRatio() { @@ -311,9 +616,9 @@ public FloatColumn getRatio() { } /** - * This _atom_type.symbol code links the anisotropic atom parameters to - * the atom type data associated with this site and must match one of - * the _atom_type.symbol codes in this list. + * This _atom_type.symbol code links the anisotropic atomic displacement + * parameters to the atom type data associated with this site and must match + * one of the _atom_type.symbol codes in this list. * @return StrColumn */ public StrColumn getTypeSymbol() { @@ -321,237 +626,285 @@ public StrColumn getTypeSymbol() { } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_U_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_u_11")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU11Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_U_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_u_11_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU11Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_U_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_u_11_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_U_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_u_12")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU12Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_U_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_u_12_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU12Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_U_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_u_12_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_U_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_u_13")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU13Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_U_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_u_13_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU13Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_U_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_u_13_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_U_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_u_22")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU22Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_U_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_u_22_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU22Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_U_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_u_22_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_U_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_u_23")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU23Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_U_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_u_23_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU23Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_U_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_u_23_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_U_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_u_33")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU33Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_U_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_u_33_su")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU33Su() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_U_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_u_33_su")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomSiteAnisotrop.java b/src/main/java/org/rcsb/cif/schema/core/AtomSiteAnisotrop.java index 28a4ec07f..8addb4d85 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AtomSiteAnisotrop.java +++ b/src/main/java/org/rcsb/cif/schema/core/AtomSiteAnisotrop.java @@ -17,183 +17,219 @@ public AtomSiteAnisotrop(CifCoreBlock parentBlock) { } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_B_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]", "atom_site_anisotrop_B[1][1]", "atom_site_aniso_b_11")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB11Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_B_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][1]_esd", "atom_site_anisotrop_B[1][1]_esd", "atom_site_aniso_b_11_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_B_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]", "atom_site_anisotrop_B[1][2]", "atom_site_aniso_b_12")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB12Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_B_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][2]_esd", "atom_site_anisotrop_B[1][2]_esd", "atom_site_aniso_b_12_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_B_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]", "atom_site_anisotrop_B[1][3]", "atom_site_aniso_b_13")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB13Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_B_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[1][3]_esd", "atom_site_anisotrop_B[1][3]_esd", "atom_site_aniso_b_13_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_B_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]", "atom_site_anisotrop_B[2][2]", "atom_site_aniso_b_22")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB22Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_B_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][2]_esd", "atom_site_anisotrop_B[2][2]_esd", "atom_site_aniso_b_22_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_B_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]", "atom_site_anisotrop_B[2][3]", "atom_site_aniso_b_23")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB23Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_B_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[2][3]_esd", "atom_site_anisotrop_B[2][3]_esd", "atom_site_aniso_b_23_su")); } /** - * These are the standard anisotropic atomic displacement components - * in angstroms squared which appear in the structure factor term: + * These are the standard anisotropic atomic displacement components, in + * angstroms squared, which appear in the structure-factor term * * T = exp{-1/4 sum~i~ [ sum~j~ (B^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths + * * The unique elements of the real symmetric matrix are entered by row. * - * The IUCr Commission on Nomenclature recommends against the use - * of B for reporting atomic displacement parameters. U, being - * directly proportional to B, is preferred. + * The IUCr Commission on Nomenclature recommends against the use of B for + * reporting atomic displacement parameters. U, being directly proportional + * to B, is preferred. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getB33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_B_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]", "atom_site_anisotrop_B[3][3]", "atom_site_aniso_b_33")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Bij anisotropic atomic displacement components (see - * _aniso_BIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Bij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the B^ij^ anisotropic atomic displacement components (see + * aniso_BIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * B^ij^ calculation. * @return FloatColumn */ public FloatColumn getB33Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_B_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_B[3][3]_esd", "atom_site_anisotrop_B[3][3]_esd", "atom_site_aniso_b_33_su")); } /** @@ -208,8 +244,8 @@ public StrColumn getId() { } /** - * Ratio of the maximum to minimum eigenvalues of the atomic - * displacement (thermal) ellipsoids. + * Ratio of the maximum to minimum eigenvalues of the atomic displacement + * ellipsoids. * @return FloatColumn */ public FloatColumn getRatio() { @@ -217,9 +253,9 @@ public FloatColumn getRatio() { } /** - * This _atom_type.symbol code links the anisotropic atom parameters to - * the atom type data associated with this site and must match one of - * the _atom_type.symbol codes in this list. + * This _atom_type.symbol code links the anisotropic atomic displacement + * parameters to the atom type data associated with this site and must match + * one of the _atom_type.symbol codes in this list. * @return StrColumn */ public StrColumn getTypeSymbol() { @@ -227,171 +263,213 @@ public StrColumn getTypeSymbol() { } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_U_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]", "atom_site_anisotrop_U[1][1]", "atom_site_aniso_u_11")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU11Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_U_11_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][1]_esd", "atom_site_anisotrop_U[1][1]_esd", "atom_site_aniso_u_11_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_U_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]", "atom_site_anisotrop_U[1][2]", "atom_site_aniso_u_12")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU12Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_U_12_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][2]_esd", "atom_site_anisotrop_U[1][2]_esd", "atom_site_aniso_u_12_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_U_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]", "atom_site_anisotrop_U[1][3]", "atom_site_aniso_u_13")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU13Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_U_13_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[1][3]_esd", "atom_site_anisotrop_U[1][3]_esd", "atom_site_aniso_u_13_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_U_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]", "atom_site_anisotrop_U[2][2]", "atom_site_aniso_u_22")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU22Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_U_22_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][2]_esd", "atom_site_anisotrop_U[2][2]_esd", "atom_site_aniso_u_22_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_U_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]", "atom_site_anisotrop_U[2][3]", "atom_site_aniso_u_23")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU23Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_U_23_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[2][3]_esd", "atom_site_anisotrop_U[2][3]_esd", "atom_site_aniso_u_23_su")); } /** - * These are the standard anisotropic atomic displacement - * components in angstroms squared which appear in the - * structure factor term: + * These are the standard anisotropic atomic displacement components in + * angstroms squared which appear in the structure-factor term * - * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } + * T = exp{ -2π^2^ sum~i~ [ sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] } * * h = the Miller indices * a* = the reciprocal-space cell lengths * * The unique elements of the real symmetric matrix are entered by row. + * + * The IUCr Commission on Nomenclature recommends the use of U for reporting + * atomic displacement parameters. + * + * Note that U^ij^ = β^ij^/(2 π^2^ a*~i~ a*~j~) = B^ij^/(8 π^2^). + * + * Ref: Trueblood, K. N. et al. (1996). Acta Cryst. A52, 770-781. * @return FloatColumn */ public FloatColumn getU33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_U_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]", "atom_site_anisotrop_U[3][3]", "atom_site_aniso_u_33")); } /** - * These are the standard uncertainty values (SU) for the standard - * form of the Uij anisotropic atomic displacement components (see - * _aniso_UIJ. Because these values are TYPE measurand, the su values - * may in practice be auto generated as part of the Uij calculation. + * These are the standard uncertainty values (s.u.) for the standard + * form of the U^ij^ anisotropic atomic displacement components (see + * aniso_UIJ). Because these values are _type.purpose Measurand, the + * s.u. values may in practice be auto generated as part of the + * U^ij^ calculation. * @return FloatColumn */ public FloatColumn getU33Esd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_U_33_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_site_aniso_U[3][3]_esd", "atom_site_anisotrop_U[3][3]_esd", "atom_site_aniso_u_33_su")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomSites.java b/src/main/java/org/rcsb/cif/schema/core/AtomSites.java index 4ca54edb2..f46924f77 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AtomSites.java +++ b/src/main/java/org/rcsb/cif/schema/core/AtomSites.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe information which applies - * to all atom sites in a crystal structure. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AtomSites extends DelegatingCategory.DelegatingCifCoreCategory { @@ -24,8 +23,9 @@ public AtomSites(CifCoreBlock parentBlock) { * how the remaining non-hydrogen sites were located; and the * *_hydrogens code identifies how the hydrogen sites were located. * - * Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., - * Miller, R. and Us\'on, I. (2001). Ab initio phasing. + * Ref: Oszlányi, G. & Süto, A. (2004). Acta Cryst. A60, 134-141; + * Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., + * Miller, R. & Usón, I. (2001). Ab initio phasing. * In International Tables for Crystallography, * Vol. F. Crystallography of biological macromolecules, * edited by M. G. Rossmann and E. Arnold, ch. 16.1. @@ -43,8 +43,9 @@ public StrColumn getSolutionHydrogens() { * how the remaining non-hydrogen sites were located; and the * *_hydrogens code identifies how the hydrogen sites were located. * - * Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., - * Miller, R. and Us\'on, I. (2001). Ab initio phasing. + * Ref: Oszlányi, G. & Süto, A. (2004). Acta Cryst. A60, 134-141; + * Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., + * Miller, R. and Usón, I. (2001). Ab initio phasing. * In International Tables for Crystallography, * Vol. F. Crystallography of biological macromolecules, * edited by M. G. Rossmann and E. Arnold, ch. 16.1. @@ -62,8 +63,9 @@ public StrColumn getSolutionPrimary() { * how the remaining non-hydrogen sites were located; and the * *_hydrogens code identifies how the hydrogen sites were located. * - * Ref: Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., - * Miller, R. and Us\'on, I. (2001). Ab initio phasing. + * Ref: Oszlányi, G. & Süto, A. (2004). Acta Cryst. A60, 134-141; + * Sheldrick, G. M., Hauptman, H. A., Weeks, C. M., + * Miller, R. and Usón, I. (2001). Ab initio phasing. * In International Tables for Crystallography, * Vol. F. Crystallography of biological macromolecules, * edited by M. G. Rossmann and E. Arnold, ch. 16.1. @@ -89,7 +91,7 @@ public StrColumn getSpecialDetails() { * @return StrColumn */ public StrColumn getCartnTransformAxes() { - return new DelegatingStrColumn(parentBlock.getColumn("atom_sites_Cartn_transform_axes")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transform_axes", "atom_sites_cartn_transform_axes")); } /** @@ -99,463 +101,469 @@ public StrColumn getCartnTransformAxes() { * @return StrColumn */ public StrColumn getAxes() { - return new DelegatingStrColumn(parentBlock.getColumn("atom_sites_Cartn_transform_axes")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transform_axes", "atom_sites_cartn_transform_axes")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][1]", "atom_sites_Cartn_transform_mat_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][1]", "atom_sites_cartn_transform_mat_11")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][1]", "atom_sites_Cartn_transform_mat_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][1]", "atom_sites_cartn_transform_mat_11")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][2]", "atom_sites_Cartn_transform_mat_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][2]", "atom_sites_cartn_transform_mat_12")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][2]", "atom_sites_Cartn_transform_mat_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][2]", "atom_sites_cartn_transform_mat_12")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][3]", "atom_sites_Cartn_transform_mat_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][3]", "atom_sites_cartn_transform_mat_13")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][3]", "atom_sites_Cartn_transform_mat_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][3]", "atom_sites_cartn_transform_mat_13")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix21() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][1]", "atom_sites_Cartn_transform_mat_21")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][1]", "atom_sites_cartn_transform_mat_21")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat21() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][1]", "atom_sites_Cartn_transform_mat_21")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][1]", "atom_sites_cartn_transform_mat_21")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][2]", "atom_sites_Cartn_transform_mat_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][2]", "atom_sites_cartn_transform_mat_22")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][2]", "atom_sites_Cartn_transform_mat_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][2]", "atom_sites_cartn_transform_mat_22")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][3]", "atom_sites_Cartn_transform_mat_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][3]", "atom_sites_cartn_transform_mat_23")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][3]", "atom_sites_Cartn_transform_mat_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][3]", "atom_sites_cartn_transform_mat_23")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix31() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][1]", "atom_sites_Cartn_transform_mat_31")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][1]", "atom_sites_cartn_transform_mat_31")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat31() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][1]", "atom_sites_Cartn_transform_mat_31")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][1]", "atom_sites_cartn_transform_mat_31")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix32() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][2]", "atom_sites_Cartn_transform_mat_32")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][2]", "atom_sites_cartn_transform_mat_32")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat32() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][2]", "atom_sites_Cartn_transform_mat_32")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][2]", "atom_sites_cartn_transform_mat_32")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getCartnTransfMatrix33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][3]", "atom_sites_Cartn_transform_mat_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][3]", "atom_sites_cartn_transform_mat_33")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][3]", "atom_sites_Cartn_transform_mat_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][3]", "atom_sites_cartn_transform_mat_33")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getCartnTransfVector1() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[1]", "atom_sites_Cartn_transform_vec_1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[1]", "atom_sites_cartn_transform_vec_1")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getVec1() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[1]", "atom_sites_Cartn_transform_vec_1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[1]", "atom_sites_cartn_transform_vec_1")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getCartnTransfVector2() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[2]", "atom_sites_Cartn_transform_vec_2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[2]", "atom_sites_cartn_transform_vec_2")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getVec2() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[2]", "atom_sites_Cartn_transform_vec_2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[2]", "atom_sites_cartn_transform_vec_2")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getCartnTransfVector3() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[3]", "atom_sites_Cartn_transform_vec_3")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[3]", "atom_sites_cartn_transform_vec_3")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getVec3() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[3]", "atom_sites_Cartn_transform_vec_3")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[3]", "atom_sites_cartn_transform_vec_3")); } /** @@ -569,18 +577,21 @@ public StrColumn getFractTransformAxes() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix11() { @@ -588,18 +599,21 @@ public FloatColumn getFractTransfMatrix11() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix12() { @@ -607,18 +621,21 @@ public FloatColumn getFractTransfMatrix12() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix13() { @@ -626,18 +643,21 @@ public FloatColumn getFractTransfMatrix13() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix21() { @@ -645,18 +665,21 @@ public FloatColumn getFractTransfMatrix21() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix22() { @@ -664,18 +687,21 @@ public FloatColumn getFractTransfMatrix22() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix23() { @@ -683,18 +709,21 @@ public FloatColumn getFractTransfMatrix23() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix31() { @@ -702,18 +731,21 @@ public FloatColumn getFractTransfMatrix31() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix32() { @@ -721,18 +753,21 @@ public FloatColumn getFractTransfMatrix32() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getFractTransfMatrix33() { @@ -740,18 +775,10 @@ public FloatColumn getFractTransfMatrix33() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_fract_transform.matrix + * to transform Cartesian coordinates in the ATOM_SITE category to fractional + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_fract_transform.axes. * @return FloatColumn */ public FloatColumn getFractTransfVector1() { @@ -759,18 +786,10 @@ public FloatColumn getFractTransfVector1() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_fract_transform.matrix + * to transform Cartesian coordinates in the ATOM_SITE category to fractional + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_fract_transform.axes. * @return FloatColumn */ public FloatColumn getFractTransfVector2() { @@ -778,18 +797,10 @@ public FloatColumn getFractTransfVector2() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_fract_transform.matrix + * to transform Cartesian coordinates in the ATOM_SITE category to fractional + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_fract_transform.axes. * @return FloatColumn */ public FloatColumn getFractTransfVector3() { diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomSitesCartnTransform.java b/src/main/java/org/rcsb/cif/schema/core/AtomSitesCartnTransform.java index 995c4e832..0d6498bd6 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AtomSitesCartnTransform.java +++ b/src/main/java/org/rcsb/cif/schema/core/AtomSitesCartnTransform.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe the matrix elements - * used to transform Cartesion coordinates into fractional coordinates - * of all atom sites in a crystal structure. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AtomSitesCartnTransform extends DelegatingCategory.DelegatingCifCoreCategory { @@ -18,6 +16,151 @@ public AtomSitesCartnTransform(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_11. + * @return FloatColumn + */ + public FloatColumn getMat11Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_11_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_12. + * @return FloatColumn + */ + public FloatColumn getMat12Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_12_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_13. + * @return FloatColumn + */ + public FloatColumn getMat13Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_13_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_21. + * @return FloatColumn + */ + public FloatColumn getMat21Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_21_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_22. + * @return FloatColumn + */ + public FloatColumn getMat22Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_22_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_23. + * @return FloatColumn + */ + public FloatColumn getMat23Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_23_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_31. + * @return FloatColumn + */ + public FloatColumn getMat31Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_31_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_32. + * @return FloatColumn + */ + public FloatColumn getMat32Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_32_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.mat_33. + * @return FloatColumn + */ + public FloatColumn getMat33Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_33_su")); + } + + /** + * Matrix used to transform fractional coordinates in the ATOM_SITE + * category to Cartesian coordinates. The axial alignments of this + * transformation are described in _atom_sites_Cartn_transform.axes. + * The 3 x 1 translation is defined in _atom_sites_Cartn_transform.vector. + * + * x' |11 12 13| x | 1 | + * ( y' ) Cartesian = mat|21 22 23| * ( y ) fractional + vec| 2 | + * z' |31 32 33| z | 3 | + * + * The default transformation matrix uses Rollett's axial + * assignments with cell vectors a,b,c aligned with orthogonal + * axes X,Y,Z so that c||Z and b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. + * @return FloatColumn + */ + public FloatColumn getMatrix() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_matrix")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.matrix. + * @return FloatColumn + */ + public FloatColumn getMatrixSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_matrix_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.vec_1. + * @return FloatColumn + */ + public FloatColumn getVec1Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vec_1_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.vec_2. + * @return FloatColumn + */ + public FloatColumn getVec2Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vec_2_su")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.vec_3. + * @return FloatColumn + */ + public FloatColumn getVec3Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vec_3_su")); + } + + /** + * The 3x1 translation is used with _atom_sites_Cartn_transform.matrix + * used to transform fractional coordinates to Cartesian coordinates. + * The axial alignments of this transformation are described in + * _atom_sites_Cartn_transform.axes. + * @return FloatColumn + */ + public FloatColumn getVector() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vector")); + } + + /** + * Standard uncertainty of _atom_sites_Cartn_transform.vector. + * @return FloatColumn + */ + public FloatColumn getVectorSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vector_su")); + } + /** * Description of the relative alignment of the crystal cell axes to the * Cartesian orthogonal axes as applied in the transformation matrix @@ -25,265 +168,238 @@ public AtomSitesCartnTransform(CifCoreBlock parentBlock) { * @return StrColumn */ public StrColumn getAxes() { - return new DelegatingStrColumn(parentBlock.getColumn("atom_sites_cartn_transform_axes")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transform_axes", "atom_sites_cartn_transform_axes")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat11() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][1]", "atom_sites_cartn_transform_mat_11")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat12() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][2]", "atom_sites_cartn_transform_mat_12")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat13() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[1][3]", "atom_sites_cartn_transform_mat_13")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat21() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_21")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][1]", "atom_sites_cartn_transform_mat_21")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat22() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][2]", "atom_sites_cartn_transform_mat_22")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat23() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[2][3]", "atom_sites_cartn_transform_mat_23")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat31() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_31")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][1]", "atom_sites_cartn_transform_mat_31")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat32() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_32")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][2]", "atom_sites_cartn_transform_mat_32")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. + * Matrix used to transform fractional coordinates in the ATOM_SITE category + * to Cartesian coordinates. The axial alignments of this transformation are + * described in _atom_sites_Cartn_transform.axes. The 3x1 translation is + * defined in _atom_sites_Cartn_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. - * @return FloatColumn - */ - public FloatColumn getMat33() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_mat_33")); - } - - /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3 x 1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' ) Cartesian = |21 22 23| * ( y ) fractional + v| 2 | - * z' |31 32 33| z | 3 | + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ - public FloatColumn getMatrix() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_matrix")); + public FloatColumn getMat33() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_matrix[3][3]", "atom_sites_cartn_transform_mat_33")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getVec1() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vec_1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[1]", "atom_sites_cartn_transform_vec_1")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getVec2() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vec_2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[2]", "atom_sites_cartn_transform_vec_2")); } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this - * transformation are described in _atom_sites_Cartn_transform.axes. - * The 3x1 translation is defined in _atom_sites_Cartn_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )Cartesian = mat|21 22 23| * ( y )fractional + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_cartn_transform.matrix + * to transform fractional coordinates in the ATOM_SITE category to Cartesian + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_Cartn_transform.axes. * @return FloatColumn */ public FloatColumn getVec3() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vec_3")); - } - - /** - * The 3x1 translation is used with _atom_sites_Cartn_transform.matrix - * used to transform fractional coordinates to Cartesian coordinates. - * The axial alignments of this transformation are described in - * _atom_sites_Cartn_transform.axes. - * @return FloatColumn - */ - public FloatColumn getVector() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_cartn_transform_vector")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_sites_Cartn_transf_vector[3]", "atom_sites_cartn_transform_vec_3")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomSitesFractTransform.java b/src/main/java/org/rcsb/cif/schema/core/AtomSitesFractTransform.java index 3b5937dbd..903bb2979 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AtomSitesFractTransform.java +++ b/src/main/java/org/rcsb/cif/schema/core/AtomSitesFractTransform.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe the matrix elements - * used to transform Cartesion coordinates into fractional coordinates - * of all atom sites in a crystal structure. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AtomSitesFractTransform extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,8 +17,80 @@ public AtomSitesFractTransform(CifCoreBlock parentBlock) { } /** - * Matrix used to transform fractional coordinates in the ATOM_SITE - * category to Cartesian coordinates. The axial alignments of this + * Standard uncertainty of _atom_sites_fract_transform.mat_11. + * @return FloatColumn + */ + public FloatColumn getMat11Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_11_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.mat_12. + * @return FloatColumn + */ + public FloatColumn getMat12Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_12_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.mat_13. + * @return FloatColumn + */ + public FloatColumn getMat13Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_13_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.mat_21. + * @return FloatColumn + */ + public FloatColumn getMat21Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_21_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.mat_22. + * @return FloatColumn + */ + public FloatColumn getMat22Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_22_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.mat_23. + * @return FloatColumn + */ + public FloatColumn getMat23Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_23_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.mat_31. + * @return FloatColumn + */ + public FloatColumn getMat31Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_31_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.mat_32. + * @return FloatColumn + */ + public FloatColumn getMat32Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_32_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.mat_33. + * @return FloatColumn + */ + public FloatColumn getMat33Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_mat_33_su")); + } + + /** + * Matrix used to transform Cartesian coordinates in the ATOM_SITE + * category to fractional coordinates. The axial alignments of this * transformation are described in _atom_sites_fract_transform.axes. * The 3 x 1 translation is defined in _atom_sites_fract_transform.vector. * @@ -31,15 +101,50 @@ public AtomSitesFractTransform(CifCoreBlock parentBlock) { * The default transformation matrix uses Rollet's axial * assignments with cell vectors a,b,c aligned with orthogonal * axes X,Y,Z so that c||Z and b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMatrix() { return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_matrix")); } + /** + * Standard uncertainty of _atom_sites_fract_transform.matrix. + * @return FloatColumn + */ + public FloatColumn getMatrixSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_matrix_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.vec_1. + * @return FloatColumn + */ + public FloatColumn getVec1Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_vec_1_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.vec_2. + * @return FloatColumn + */ + public FloatColumn getVec2Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_vec_2_su")); + } + + /** + * Standard uncertainty of _atom_sites_fract_transform.vec_3. + * @return FloatColumn + */ + public FloatColumn getVec3Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_vec_3_su")); + } + /** * The 3x1 translation is used with _atom_sites_fract_transform.matrix - * used to transform Cartesian coordinates to fractional coordinates. + * used to transform Cartesian coordinates to fractional coordinates. * The axial alignments of this transformation are described in * _atom_sites_fract_transform.axes. * @return FloatColumn @@ -48,6 +153,14 @@ public FloatColumn getVector() { return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_vector")); } + /** + * Standard uncertainty of _atom_sites_fract_transform.vector. + * @return FloatColumn + */ + public FloatColumn getVectorSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_sites_fract_transform_vector_su")); + } + /** * Description of the relative alignment of the crystal cell axes to the * Cartesian orthogonal axes as applied in the transformation matrix @@ -59,18 +172,21 @@ public StrColumn getAxes() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat11() { @@ -78,18 +194,21 @@ public FloatColumn getMat11() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat12() { @@ -97,18 +216,21 @@ public FloatColumn getMat12() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat13() { @@ -116,18 +238,21 @@ public FloatColumn getMat13() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat21() { @@ -135,18 +260,21 @@ public FloatColumn getMat21() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat22() { @@ -154,18 +282,21 @@ public FloatColumn getMat22() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat23() { @@ -173,18 +304,21 @@ public FloatColumn getMat23() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat31() { @@ -192,18 +326,21 @@ public FloatColumn getMat31() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat32() { @@ -211,18 +348,21 @@ public FloatColumn getMat32() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. + * Matrix used to transform Cartesian coordinates in the ATOM_SITE category + * to fractional coordinates. The axial alignments of this transformation are + * described in _atom_sites_fract_transform.axes. The 3 x 1 translation is + * defined in _atom_sites_fract_transform.vector. * * x' |11 12 13| x | 1 | * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | * z' |31 32 33| z | 3 | * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The default transformation matrix uses Rollett's axial assignments with + * cell vectors a,b,c aligned with orthogonal axes X,Y,Z so that c||Z and + * b in plane YZ. + * + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ public FloatColumn getMat33() { @@ -230,18 +370,10 @@ public FloatColumn getMat33() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_fract_transform.matrix + * to transform Cartesian coordinates in the ATOM_SITE category to fractional + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_fract_transform.axes. * @return FloatColumn */ public FloatColumn getVec1() { @@ -249,18 +381,10 @@ public FloatColumn getVec1() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_fract_transform.matrix + * to transform Cartesian coordinates in the ATOM_SITE category to fractional + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_fract_transform.axes. * @return FloatColumn */ public FloatColumn getVec2() { @@ -268,18 +392,10 @@ public FloatColumn getVec2() { } /** - * Matrix used to transform Cartesian coordinates in the ATOM_SITE - * category to fractional coordinates. The axial alignments of this - * transformation are described in _atom_sites_fract_transform.axes. - * The 3x1 translation is defined in _atom_sites_fract_transform.vector. - * - * x' |11 12 13| x | 1 | - * ( y' )fractional = mat|21 22 23| * ( y )Cartesian + vec| 2 | - * z' |31 32 33| z | 3 | - * - * The default transformation matrix uses Rollet's axial - * assignments with cell vectors a,b,c aligned with orthogonal - * axes X,Y,Z so that c||Z and b in plane YZ. + * The 3x1 translation that is used with _atom_sites_fract_transform.matrix + * to transform Cartesian coordinates in the ATOM_SITE category to fractional + * coordinates. The axial alignments of this transformation are described + * in _atom_sites_fract_transform.axes. * @return FloatColumn */ public FloatColumn getVec3() { diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomType.java b/src/main/java/org/rcsb/cif/schema/core/AtomType.java index c76218f64..339bde232 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AtomType.java +++ b/src/main/java/org/rcsb/cif/schema/core/AtomType.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe atomic type information - * used in crystallographic structure studies. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AtomType extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,6 +16,14 @@ public AtomType(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * Standard uncertainty of _atom_type.analytical_mass_percent. + * @return FloatColumn + */ + public FloatColumn getAnalyticalMassPercentSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_analytical_mass_percent_su")); + } + /** * Mass of this atom type. * @return FloatColumn @@ -36,7 +43,7 @@ public IntColumn getAtomicNumber() { /** * A description of the atom(s) designated by this atom type. In * most cases this will be the element name and oxidation state of - * a single atom species. For disordered or nonstoichiometric + * a single atom species. For disordered or nonstoichiometric * structures it will describe a combination of atom species. * @return StrColumn */ @@ -46,7 +53,7 @@ public StrColumn getDescription() { /** * The display colour assigned to this atom type. Note that the - * possible colours are enumerated in the display_colour list + * possible colours are enumerated in the DISPLAY_COLOUR list * category of items. * @return StrColumn */ @@ -73,12 +80,14 @@ public StrColumn getElementSymbol() { } /** - * Value is a unique key to a set of ATOM_TYPE items - * in a looped list. - * @return StrColumn + * Mass number of this atom type. + * + * Used to denote a specific isotope. Special value '.' indicates + * that the element is present in natural isotopic abundance. + * @return IntColumn */ - public StrColumn getKey() { - return new DelegatingStrColumn(parentBlock.getColumn("atom_type_key")); + public IntColumn getMassNumber() { + return new DelegatingIntColumn(parentBlock.getColumn("atom_type_mass_number")); } /** @@ -143,254 +152,344 @@ public FloatColumn getAnalyticalMassPercent() { /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannA1() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a1", "atom_type_scat_cromer_mann_a1")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannA1() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a1", "atom_type_scat_cromer_mann_a1")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannA2() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a2", "atom_type_scat_cromer_mann_a2")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannA2() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a2", "atom_type_scat_cromer_mann_a2")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannA3() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a3")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a3", "atom_type_scat_cromer_mann_a3")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannA3() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a3")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a3", "atom_type_scat_cromer_mann_a3")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannA4() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a4")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a4", "atom_type_scat_cromer_mann_a4")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannA4() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a4")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a4", "atom_type_scat_cromer_mann_a4")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannB1() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b1", "atom_type_scat_cromer_mann_b1")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannB1() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b1", "atom_type_scat_cromer_mann_b1")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannB2() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b2", "atom_type_scat_cromer_mann_b2")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannB2() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b2", "atom_type_scat_cromer_mann_b2")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannB3() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b3")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b3", "atom_type_scat_cromer_mann_b3")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannB3() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b3")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b3", "atom_type_scat_cromer_mann_b3")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannB4() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b4")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b4", "atom_type_scat_cromer_mann_b4")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannB4() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b4")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b4", "atom_type_scat_cromer_mann_b4")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getScatCromerMannC() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_c")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_c", "atom_type_scat_cromer_mann_c")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannC() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_c")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_c", "atom_type_scat_cromer_mann_c")); } /** @@ -482,9 +581,12 @@ public StrColumn getSource() { } /** - * List of scattering factors as a function of sin theta on lambda. - * List has the form [[<stol value 1> <scatfac 1>] [<stol value 2> <scatfac 2>] ....] in - * increments of 0.01, increasing from 0.0. + * Deprecated. Data items from the ATOM_SCAT_VERSUS_STOL category should be + * used instead of this item. + * + * A table of scattering factors as a function of sin(θ)/λ (sin theta over + * lambda, stol). This table should be well-commented to indicate the items + * present. Regularly formatted lists are strongly recommended. * @return StrColumn */ public StrColumn getScatVersusStolList() { @@ -492,9 +594,12 @@ public StrColumn getScatVersusStolList() { } /** - * List of scattering factors as a function of sin theta on lambda. - * List has the form [[<stol value 1> <scatfac 1>] [<stol value 2> <scatfac 2>] ....] in - * increments of 0.01, increasing from 0.0. + * Deprecated. Data items from the ATOM_SCAT_VERSUS_STOL category should be + * used instead of this item. + * + * A table of scattering factors as a function of sin(θ)/λ (sin theta over + * lambda, stol). This table should be well-commented to indicate the items + * present. Regularly formatted lists are strongly recommended. * @return StrColumn */ public StrColumn getVersusStolList() { diff --git a/src/main/java/org/rcsb/cif/schema/core/AtomTypeScat.java b/src/main/java/org/rcsb/cif/schema/core/AtomTypeScat.java index 8a9936582..61701c9a0 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AtomTypeScat.java +++ b/src/main/java/org/rcsb/cif/schema/core/AtomTypeScat.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe atomic scattering - * information used in crystallographic structure studies. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AtomTypeScat extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,13 +18,13 @@ public AtomTypeScat(CifCoreBlock parentBlock) { /** * The set of Cromer-Mann coefficients for generating X-ray scattering - * factors. [ a1, b1, a2, b2, a3, b3, a4, b4, c] - * Ref: International Tables for Crystallography, Vol. C - * (1991) Table 6.1.1.4 + * factors: + * [ c, a1, b1, a2, b2, a3, b3, a4, b4 ]. + * Ref: International Tables for Crystallography (2004). Vol. C, Table 6.1.1.4. * @return FloatColumn */ public FloatColumn getCromerMannCoeffs() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_coeffs")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_cromer_mann_coeffs")); } /** @@ -39,7 +38,7 @@ public StrColumn getDispersion() { /** * The imaginary component of the anomalous dispersion scattering factors - * for this atom type and Cu K alpha radiation + * for this atom type and Cu Kα radiation. * @return FloatColumn */ public FloatColumn getDispersionImagCu() { @@ -48,7 +47,7 @@ public FloatColumn getDispersionImagCu() { /** * The imaginary component of the anomalous dispersion scattering factors - * for this atom type and Mo K alpha radiation + * for this atom type and Mo Kα radiation. * @return FloatColumn */ public FloatColumn getDispersionImagMo() { @@ -57,7 +56,7 @@ public FloatColumn getDispersionImagMo() { /** * The real component of the anomalous dispersion scattering factors - * for this atom type and Cu K alpha radiation + * for this atom type and Cu Kα radiation. * @return FloatColumn */ public FloatColumn getDispersionRealCu() { @@ -66,7 +65,7 @@ public FloatColumn getDispersionRealCu() { /** * The real component of the anomalous dispersion scattering factors - * for this atom type and Mo K alpha radiation + * for this atom type and Mo Kα radiation. * @return FloatColumn */ public FloatColumn getDispersionRealMo() { @@ -74,62 +73,223 @@ public FloatColumn getDispersionRealMo() { } /** - * The set of data items used to define Fox et al. coefficients - * for generation of high angle (s >2.0) X-ray scattering factors. + * The set of polynomial coefficients for generating X-ray scattering factors: + * [ a_0, a_1, ... , a_N ]. * - * Ref: International Tables for Crystallography, Vol. C - * (1991) Table 6.1.1.5 + * f(s; Z) = exp[Sum(a~i~ * s^i^), i=0:N] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * @return FloatColumn + */ + public FloatColumn getExponentialPolynomialCoefs() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_exponential_polynomial_coefs")); + } + + /** + * Standard uncertainty of _atom_type_scat.exponential_polynomial_coefs. + * @return FloatColumn + */ + public FloatColumn getExponentialPolynomialCoefsSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_exponential_polynomial_coefs_su")); + } + + /** + * The inclusive lower limit of s for which the corresponding exponential + * polynomial coefficients are valid. + * + * See _atom_type_scat.exponential_polynomial_coefs. + * @return FloatColumn + */ + public FloatColumn getExponentialPolynomialLowerLimit() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_exponential_polynomial_lower_limit")); + } + + /** + * The exclusive upper limit of s for which the corresponding exponential + * polynomial coefficients are valid. + * + * See _atom_type_scat.exponential_polynomial_coefs. + * @return FloatColumn + */ + public FloatColumn getExponentialPolynomialUpperLimit() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_exponential_polynomial_upper_limit")); + } + + /** + * The set of Gaussian coefficients for generating X-ray scattering factors: + * [ c, a_1, b_1, a_2, b_2, ... , a_N, b_N ]. + * + * f(s; Z) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:N] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * @return FloatColumn + */ + public FloatColumn getGaussianCoefs() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_gaussian_coefs")); + } + + /** + * Standard uncertainty of _atom_type_scat.Gaussian_coefs. + * @return FloatColumn + */ + public FloatColumn getGaussianCoefsSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_gaussian_coefs_su")); + } + + /** + * The inclusive lower limit of s for which the corresponding Gaussian + * coefficients are valid. + * + * See _atom_type_scat.Gaussian_coefs. + * @return FloatColumn + */ + public FloatColumn getGaussianLowerLimit() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_gaussian_lower_limit")); + } + + /** + * The exclusive upper limit of s for which the corresponding Gaussian + * coefficients are valid. + * + * See _atom_type_scat.Gaussian_coefs. + * @return FloatColumn + */ + public FloatColumn getGaussianUpperLimit() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_gaussian_upper_limit")); + } + + /** + * The set of data items used to define Fox et al. coefficients + * for generation of high-angle (2.0 < s < 6.0 Å^-1^) X-ray scattering factors. + * + * f(s) = exp[Sum(c~i~ * s^i^, i=0:3)] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for Crystallography (2004). Vol. C, + * Table 6.1.1.5. * @return FloatColumn */ public FloatColumn getHiAngFoxC0() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_Fox_c0")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_fox_c0")); } /** - * The set of data items used to define Fox et al. coefficients - * for generation of high angle (s >2.0) X-ray scattering factors. + * The set of data items used to define Fox et al. coefficients + * for generation of high-angle (2.0 < s < 6.0 Å^-1^) X-ray scattering factors. + * + * f(s) = exp[Sum(c~i~ * s^i^, i=0:3)] * - * Ref: International Tables for Crystallography, Vol. C - * (1991) Table 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for Crystallography (2004). Vol. C, + * Table 6.1.1.5. * @return FloatColumn */ public FloatColumn getHiAngFoxC1() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_Fox_c1")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_fox_c1")); } /** - * The set of data items used to define Fox et al. coefficients - * for generation of high angle (s >2.0) X-ray scattering factors. + * The set of data items used to define Fox et al. coefficients + * for generation of high-angle (2.0 < s < 6.0 Å^-1^) X-ray scattering factors. + * + * f(s) = exp[Sum(c~i~ * s^i^, i=0:3)] * - * Ref: International Tables for Crystallography, Vol. C - * (1991) Table 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for Crystallography (2004). Vol. C, + * Table 6.1.1.5. * @return FloatColumn */ public FloatColumn getHiAngFoxC2() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_Fox_c2")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_fox_c2")); } /** - * The set of data items used to define Fox et al. coefficients - * for generation of high angle (s >2.0) X-ray scattering factors. + * The set of data items used to define Fox et al. coefficients + * for generation of high-angle (2.0 < s < 6.0 Å^-1^) X-ray scattering factors. + * + * f(s) = exp[Sum(c~i~ * s^i^, i=0:3)] * - * Ref: International Tables for Crystallography, Vol. C - * (1991) Table 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for Crystallography (2004). Vol. C, + * Table 6.1.1.5. * @return FloatColumn */ public FloatColumn getHiAngFoxC3() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_Fox_c3")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_fox_c3")); } /** - * The set of Fox et al. coefficients for generating high angle - * X-ray scattering factors. [ c0, c1, c2, c3 ] - * Ref: International Tables for Crystallography, Vol. C - * (1991) Table 6.1.1.5 + * The set of Fox et al. coefficients for generating high-angle + * X-ray scattering factors: [ c0, c1, c2, c3 ] + * + * Ref: International Tables for Crystallography (2004). Vol. C, + * Table 6.1.1.5 * @return FloatColumn */ public FloatColumn getHiAngFoxCoeffs() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_Fox_coeffs")); + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_hi_ang_fox_coeffs")); + } + + /** + * The set of Gaussian coefficients for use in the inverse Mott-Bethe + * relationship for generating X-ray scattering factors: + * [ e, c_1, d_1, c_2, d_2, ... , c_N, d_N ]. + * + * f(s; Z) = + * Z - 8π * a~0~ * s^2^ * {e + Sum[ c~i~ * exp(-d~i~ * s^2^), i=1:N]} + * + * where s = sin(θ)/λ, a~0~ is the Bohr radius, and Z is the atomic number. + * θ is the diffraction angle and λ is the wavelength of the incident + * radiation in angstroms. + * + * Ref: Thorkildsen, G. (2023). Acta Cryst. A79, 318–330. + * Mott, N. F. & Bragg, W. L. (1930). Proc. R. Soc. Lond. Ser. A, + * 127, 658–665. + * Bethe, H. (1930). Ann. Phys. 397, 325–400. + * @return FloatColumn + */ + public FloatColumn getInvMottBetheCoefs() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_inv_mott_bethe_coefs")); + } + + /** + * Standard uncertainty of _atom_type_scat.inv_Mott_Bethe_coefs. + * @return FloatColumn + */ + public FloatColumn getInvMottBetheCoefsSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_inv_mott_bethe_coefs_su")); + } + + /** + * The inclusive lower limit of s for which the corresponding Gaussian + * coefficients are valid. + * + * See _atom_type_scat.inv_Mott_Bethe_coefs. + * @return FloatColumn + */ + public FloatColumn getInvMottBetheLowerLimit() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_inv_mott_bethe_lower_limit")); + } + + /** + * The exclusive upper limit of s for which the corresponding Gaussian + * coefficients are valid. + * + * See _atom_type_scat.inv_Mott_Bethe_coefs. + * @return FloatColumn + */ + public FloatColumn getInvMottBetheUpperLimit() { + return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_inv_mott_bethe_upper_limit")); } /** @@ -143,128 +303,173 @@ public StrColumn getSymbol() { /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannA1() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a1", "atom_type_scat_cromer_mann_a1")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannA2() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a2", "atom_type_scat_cromer_mann_a2")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannA3() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a3")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a3", "atom_type_scat_cromer_mann_a3")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannA4() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_a4")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a4", "atom_type_scat_cromer_mann_a4")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannB1() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b1")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b1", "atom_type_scat_cromer_mann_b1")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannB2() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b2")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b2", "atom_type_scat_cromer_mann_b2")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannB3() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b3")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b3", "atom_type_scat_cromer_mann_b3")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. + * + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannB4() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_b4")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b4", "atom_type_scat_cromer_mann_b4")); } /** * The set of data items used to define Cromer-Mann coefficients - * for generation of X-ray scattering factors. + * for generation of (0.0 < s < 2.0 Å^-1^) X-ray scattering factors. * - * Ref: International Tables for X-ray Crystallography, Vol. IV - * (1974) Table 2.2B - * or International Tables for Crystallography, Vol. C - * (1991) Tables 6.1.1.4 and 6.1.1.5 + * f(s) = c + Sum[a~i~ * exp(-b~i~ * s^2^), i=1:4] + * + * where s = sin(θ)/λ, θ is the diffraction angle and λ is the wavelength + * of the incident radiation in angstroms. + * + * Ref: International Tables for X-ray Crystallography (1974). + * Vol. IV, Table 2.2B + * or International Tables for Crystallography (2004). + * Vol. C, Tables 6.1.1.4 and 6.1.1.5. * @return FloatColumn */ public FloatColumn getCromerMannC() { - return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_Cromer_Mann_c")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_c", "atom_type_scat_cromer_mann_c")); } /** @@ -312,9 +517,12 @@ public StrColumn getSource() { } /** - * List of scattering factors as a function of sin theta on lambda. - * List has the form [[<stol value 1> <scatfac 1>] [<stol value 2> <scatfac 2>] ....] in - * increments of 0.01, increasing from 0.0. + * Deprecated. Data items from the ATOM_SCAT_VERSUS_STOL category should be + * used instead of this item. + * + * A table of scattering factors as a function of sin(θ)/λ (sin theta over + * lambda, stol). This table should be well-commented to indicate the items + * present. Regularly formatted lists are strongly recommended. * @return StrColumn */ public StrColumn getVersusStolList() { diff --git a/src/main/java/org/rcsb/cif/schema/core/Audit.java b/src/main/java/org/rcsb/cif/schema/core/Audit.java index 9604028a9..29a4e91da 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Audit.java +++ b/src/main/java/org/rcsb/cif/schema/core/Audit.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to record details about the - * creation and subsequent updating of the data block. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Audit extends DelegatingCategory.DelegatingCifCoreCategory { @@ -20,8 +19,8 @@ public Audit(CifCoreBlock parentBlock) { /** * The digital object identifier (DOI) registered to identify * the data set publication represented by the current - * datablock. This can be used as a unique identifier for - * the datablock so long as the code used is a valid DOI + * data block. This can be used as a unique identifier for + * the data block so long as the code used is a valid DOI * (i.e. begins with a valid publisher prefix assigned by a * Registration Agency and a suffix guaranteed to be unique * by the publisher) and has had its metadata deposited @@ -34,8 +33,8 @@ public Audit(CifCoreBlock parentBlock) { * structured extensible way. A DOI is an implementation * of the Internet concepts of Uniform Resource Name and * Universal Resource Locator managed according to the - * specifications of the International DOI Foundation (see - * http://www.doi.org). + * specifications of the International DOI Foundation + * (see https://www.doi.org/). * @return StrColumn */ public StrColumn getBlockDoi() { @@ -59,8 +58,8 @@ public StrColumn getCreationMethod() { } /** - * This dataname identifies the type of information contained in the - * datablock. Software written for one schema will not, in general, + * This data item identifies the type of information contained in the + * data block. Software written for one schema will not, in general, * correctly interpret datafiles written against a different schema. * * Specifically, each value of _audit.schema corresponds to a list @@ -71,8 +70,8 @@ public StrColumn getCreationMethod() { * multiple packets and do not need to be listed. * * The category list for each schema may instead be determined from - * examination of the dictionaries that this datablock conforms to (see - * _audit_conform.dict_name). + * examination of the dictionaries that this data block conforms to + * (see _audit_conform.dict_name). * @return StrColumn */ public StrColumn getSchema() { diff --git a/src/main/java/org/rcsb/cif/schema/core/AuditAuthor.java b/src/main/java/org/rcsb/cif/schema/core/AuditAuthor.java index c0649809c..e6b892e32 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AuditAuthor.java +++ b/src/main/java/org/rcsb/cif/schema/core/AuditAuthor.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used for author(s) details. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AuditAuthor extends DelegatingCategory.DelegatingCifCoreCategory { @@ -26,15 +26,72 @@ public StrColumn getAddress() { return new DelegatingStrColumn(parentBlock.getColumn("audit_author_address")); } + /** + * The electronic mail address of an author of the data block, in a form + * recognizable to international networks. The format of e-mail addresses is + * given in Section 3.4, Address Specification, of Internet Message Format, + * RFC 2822, P. Resnick (Editor), Network Standards Group, April 2001. + * @return StrColumn + */ + public StrColumn getEmail() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_author_email")); + } + + /** + * Facsimile telephone number of an author of the data block. + * The recommended style is the international dialing prefix, followed + * by the area code in parentheses, followed by the local number with + * no spaces. The earlier convention of including the international + * dialing prefix in parentheses is no longer recommended. + * @return StrColumn + */ + public StrColumn getFax() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_author_fax")); + } + + /** + * Arbitrary identifier for this author. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_author_id")); + } + + /** + * Identifier in the ORCID Registry of a publication + * author. ORCID is an open, non-profit, community-driven + * service to provide a registry of unique researcher + * identifiers (https://orcid.org/). + * @return StrColumn + */ + public StrColumn getIdOrcid() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_author_id_orcid")); + } + /** * The name of an author of this data block. If there are multiple * authors, _audit_author.name is looped with _audit_author.address. * The family name(s), followed by a comma and including any * dynastic components, precedes the first name(s) or initial(s). + * For authors with only one name, provide the full name without + * abbreviation. * @return StrColumn */ public StrColumn getName() { return new DelegatingStrColumn(parentBlock.getColumn("audit_author_name")); } + /** + * Telephone number of an author of the data block. + * The recommended style is the international dialing prefix, + * followed by the area code in parentheses, followed by the + * local number and any extension number prefixed by 'x', with + * no spaces. The earlier convention of including the international + * dialing prefix in parentheses is no longer recommended. + * @return StrColumn + */ + public StrColumn getPhone() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_author_phone")); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AuditAuthorRole.java b/src/main/java/org/rcsb/cif/schema/core/AuditAuthorRole.java new file mode 100644 index 000000000..52489293d --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/core/AuditAuthorRole.java @@ -0,0 +1,49 @@ +package org.rcsb.cif.schema.core; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class AuditAuthorRole extends DelegatingCategory.DelegatingCifCoreCategory { + private static final String NAME = "audit_author_role"; + + public AuditAuthorRole(CifCoreBlock parentBlock) { + super(NAME, parentBlock); + } + + /** + * Unique identifier for the author for whom a role is identified. + * This may be repeated where an author took on multiple roles. + * The identifier for the author is drawn from the list of authors + * given in the AUDIT_AUTHOR category. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_author_role_id")); + } + + /** + * The role taken by the author identified by _audit_author_role.id, + * drawn from a predefined list. Additional details can be provided + * in _audit_author_role.special_details + * @return StrColumn + */ + public StrColumn getRole() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_author_role_role")); + } + + /** + * Description of the contribution of the author identified by + * _audit_author_role.id. + * @return StrColumn + */ + public StrColumn getSpecialDetails() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_author_role_special_details")); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/AuditConform.java b/src/main/java/org/rcsb/cif/schema/core/AuditConform.java index aba1af808..bc5a5b9c8 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AuditConform.java +++ b/src/main/java/org/rcsb/cif/schema/core/AuditConform.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used describe dictionary versions - * by which data names in the current data block are conformant. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AuditConform extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,6 +16,27 @@ public AuditConform(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * The digital object identifier (DOI) registered to identify + * a CIF dictionary to which data names in this data block are + * conformant. This should resolve to a machine-readable dictionary + * and not to a descriptive landing page. + * + * A DOI is a unique character string identifying any + * object of intellectual property. It provides a + * persistent identifier for an object on a digital network + * and permits the association of related current data in a + * structured extensible way. A DOI is an implementation + * of the Internet concepts of Uniform Resource Name and + * Universal Resource Locator managed according to the + * specifications of the International DOI Foundation + * (see https://www.doi.org/). + * @return StrColumn + */ + public StrColumn getDictDoi() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_conform_dict_doi")); + } + /** * File name or uniform resource locator (URL) where the * conformant data dictionary resides. diff --git a/src/main/java/org/rcsb/cif/schema/core/AuditContactAuthor.java b/src/main/java/org/rcsb/cif/schema/core/AuditContactAuthor.java index 47752af7d..87858d94b 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AuditContactAuthor.java +++ b/src/main/java/org/rcsb/cif/schema/core/AuditContactAuthor.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used for contact author(s) details. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AuditContactAuthor extends DelegatingCategory.DelegatingCifCoreCategory { @@ -51,11 +51,20 @@ public StrColumn getFax() { return new DelegatingStrColumn(parentBlock.getColumn("audit_contact_author_fax")); } + /** + * Arbitrary identifier for this author. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_contact_author_id")); + } + /** * The name of the author of the data block to whom correspondence * should be addressed. The family name(s), followed by a comma and * including any dynastic components, precedes the first name(s) or - * initial(s). + * initial(s). For authors with only one name, provide the full name + * without abbreviation. * @return StrColumn */ public StrColumn getName() { diff --git a/src/main/java/org/rcsb/cif/schema/core/AuditLink.java b/src/main/java/org/rcsb/cif/schema/core/AuditLink.java index 7e2a3eb7f..ebdfed621 100644 --- a/src/main/java/org/rcsb/cif/schema/core/AuditLink.java +++ b/src/main/java/org/rcsb/cif/schema/core/AuditLink.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to record details about the - * relationships between data blocks in the current CIF. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AuditLink extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/AuditSupport.java b/src/main/java/org/rcsb/cif/schema/core/AuditSupport.java new file mode 100644 index 000000000..db981fde2 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/core/AuditSupport.java @@ -0,0 +1,101 @@ +package org.rcsb.cif.schema.core; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class AuditSupport extends DelegatingCategory.DelegatingCifCoreCategory { + private static final String NAME = "audit_support"; + + public AuditSupport(CifCoreBlock parentBlock) { + super(NAME, parentBlock); + } + + /** + * The award number associated with this source of support. + * @return StrColumn + */ + public StrColumn getAwardNumber() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_support_award_number")); + } + + /** + * The recipient of the support. May be an + * individual or institution. + * @return StrColumn + */ + public StrColumn getAwardRecipient() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_support_award_recipient")); + } + + /** + * Type or kind of award. + * @return StrColumn + */ + public StrColumn getAwardType() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_support_award_type")); + } + + /** + * The name of the organization providing funding support for + * the data collected and analysed in the data block. The + * recommended source for such names is the Open Funder Registry + * (https://gitlab.com/crossref/open_funder_registry). + * @return StrColumn + */ + public StrColumn getFundingOrganization() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_support_funding_organization")); + } + + /** + * The Digital Object Identifier (DOI) associated with the + * Organization providing funding support for + * the data collected and analysed in the data block. In + * accordance with CrossRef guidelines, the full URI of + * the resolved page describing the funding organization + * should be given (i.e. including the https://doi.org/ + * DOI resolver prefix). Note that it may be necessary to + * URL-encode certain special characters in the DOI suffix + * for the URI to resolve correctly through CrossRef + * (e.g. the number sign '#' must be encoded as '%23'). + * @return StrColumn + */ + public StrColumn getFundingOrganizationDoi() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_support_funding_organization_doi")); + } + + /** + * The Uniform Resource Locator (URL) associated with the funding organisation. + * + * The _audit_support.funding_organization_DOI data item should be provided + * alongside this item when possible. + * @return StrColumn + */ + public StrColumn getFundingOrganizationUrl() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_support_funding_organization_url")); + } + + /** + * An arbitrary unique identifier for each source of support for + * the data collected and analysed in the data block. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_support_id")); + } + + /** + * Details of the funding support that cannot be specified by other data items + * from the AUDIT_SUPPORT category. + * @return StrColumn + */ + public StrColumn getSpecialDetails() { + return new DelegatingStrColumn(parentBlock.getColumn("audit_support_special_details")); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Cell.java b/src/main/java/org/rcsb/cif/schema/core/Cell.java index 490a5ddce..94e979335 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Cell.java +++ b/src/main/java/org/rcsb/cif/schema/core/Cell.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe the parameters of - * the crystal unit cell and their measurement. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Cell extends DelegatingCategory.DelegatingCifCoreCategory { @@ -18,7 +17,31 @@ public Cell(CifCoreBlock parentBlock) { } /** - * Atomic mass of the contents of the unit cell. This calculated + * The angle between the bounding cell axes. + * @return FloatColumn + */ + public FloatColumn getAngleAlpha() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_angle_alpha")); + } + + /** + * The angle between the bounding cell axes. + * @return FloatColumn + */ + public FloatColumn getAngleBeta() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_angle_beta")); + } + + /** + * The angle between the bounding cell axes. + * @return FloatColumn + */ + public FloatColumn getAngleGamma() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_angle_gamma")); + } + + /** + * Atomic mass of the contents of the unit cell. This is calculated * from the atom sites present in the ATOM_TYPE list, rather than * the ATOM_SITE lists of atoms in the refined model. * @return FloatColumn @@ -28,64 +51,94 @@ public FloatColumn getAtomicMass() { } /** - * The number of the formula units in the unit cell as specified - * by _chemical_formula.structural, _chemical_formula.moiety or - * _chemical_formula.sum. - * @return IntColumn + * The reciprocal-space matrix for converting the U(ij) matrix of + * atomic displacement parameters to a dimensionless beta(IJ) matrix. + * The ADP factor in a structure-factor expression: + * + * t = exp [ - 2π^2^ ( U11 h h a* a* + ...... 2 U23 k l b* c* ) ] + * t = exp [ - 0.25 ( B11 h h a* a* + ...... 2 B23 k l b* c* ) ] + * t = exp [ - ( β11 h h + ............ 2 β23 k l ) ] + * + * The conversion of the U or B matrices to the β matrix + * + * β = C U C = C B C /8π^2^ + * + * where C is the conversion matrix defined here. + * @return FloatColumn */ - public IntColumn getFormulaUnitsZ() { - return new DelegatingIntColumn(parentBlock.getColumn("cell_formula_units_Z")); + public FloatColumn getConvertUijToBetaij() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_convert_uij_to_betaij")); } /** - * The direct space (covariant) metric tensor used to transform - * vectors and coordinates from real (direct) to reciprocal space. + * Standard uncertainty of _cell.convert_Uij_to_betaij. * @return FloatColumn */ - public FloatColumn getMetricTensor() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_metric_tensor")); + public FloatColumn getConvertUijToBetaijSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_convert_uij_to_betaij_su")); } /** - * Orthogonal matrix of the crystal unit cell. Definition uses - * Rollet's axial assignments with cell vectors a,b,c aligned - * with orthogonal axes X,Y,Z so that c||Z and b in plane YZ. + * The reciprocal-space matrix for converting the isotropic Uiso + * atomic displacement parameter to the anisotropic matrix Uij. + * + * | 1 cos(γ*) cos(β*) | + * Uij = Uiso * | cos(γ*) 1 cos(α*) | + * | cos(β*) cos(α*) 1 | * @return FloatColumn */ - public FloatColumn getOrthogonalMatrix() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_orthogonal_matrix")); + public FloatColumn getConvertUisoToUij() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_convert_uiso_to_uij")); } /** - * Volume of the crystal unit cell. + * Standard uncertainty of _cell.convert_Uiso_to_Uij. * @return FloatColumn */ - public FloatColumn getVolume() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_volume")); + public FloatColumn getConvertUisoToUijSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_convert_uiso_to_uij_su")); } /** - * The angle between the bounding cell axes. - * @return FloatColumn + * A pointer to the diffraction conditions to which this cell has been applied, + * for example, to locate and extract diffraction peaks. These will normally be + * the same conditions as those under which the cell was measured, but some + * legacy data sets may have used a cell measured under differing conditions, + * in which case those conditions should be indicated using the + * _cell_measurement.condition_id data item. + * @return StrColumn */ - public FloatColumn getAngleAlpha() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_angle_alpha")); + public StrColumn getDiffrnId() { + return new DelegatingStrColumn(parentBlock.getColumn("cell_diffrn_id")); } /** - * The angle between the bounding cell axes. + * The number of the formula units in the unit cell as specified + * by _chemical_formula.structural, _chemical_formula.moiety or + * _chemical_formula.sum. This is normally an integer value, but + * in exceptional circumstances (Brock, 2025) may be reported as + * non-integral. + * + * Reference: Brock, C. P. (2025). Acta Cryst. A81, 405-408. * @return FloatColumn */ - public FloatColumn getAngleBeta() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_angle_beta")); + public FloatColumn getFormulaUnitsZ() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_formula_units_z")); } /** - * The angle between the bounding cell axes. - * @return FloatColumn + * The number Z of formula units in the unit cell is expected to + * be an integer. In exceptional circumstances with complex chemistry + * an author may report a fractional value of Z, as explained by the + * IUCr Commission on Crystallographic Nomenclature (Brock, 2025). This + * field is used to describe the justification for the value reported in + * _cell.formula_units_Z. + * + * Reference: Brock, C. P. (2025). Acta Cryst. A81, 405-408. + * @return StrColumn */ - public FloatColumn getAngleGamma() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_angle_gamma")); + public StrColumn getFormulaUnitsZDetails() { + return new DelegatingStrColumn(parentBlock.getColumn("cell_formula_units_z_details")); } /** @@ -113,58 +166,25 @@ public FloatColumn getLengthC() { } /** - * The reciprocal space matrix for converting the U(ij) matrix of - * atomic displacement parameters to a dimensionless beta(IJ) matrix. - * The adp factor in a structure factor expression: - * - * t = exp -2pi**2 ( U11 h h a* a* + ...... 2 U23 k l b* c* ) - * t = exp - 0.25 ( B11 h h a* a* + ...... 2 B23 k l b* c* ) - * = exp - ( beta11 h h + ............ 2 beta23 k l ) - * - * The conversion of the U or B matrices to the beta matrix - * - * beta = C U C = C B C /8pi**2 - * - * where C is conversion matrix defined here. - * @return FloatColumn - */ - public FloatColumn getConvertUijToBetaij() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_convert_Uij_to_betaij")); - } - - /** - * The reciprocal space matrix for converting the isotropic Uiso - * atomic displacement parameter to the anisotropic matrix Uij. - * - * | 1 cos(gamma*) cos(beta*) | - * U[i,j] = Uiso * | cos(gamma*) 1 cos(alpha*) | - * | cos(beta*) cos(alpha*) 1 | - * @return FloatColumn - */ - public FloatColumn getConvertUisoToUij() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_convert_Uiso_to_Uij")); - } - - /** - * The reciprocal (contravariant) metric tensor used to transform - * vectors and coordinates from reciprocal space to real (direct) - * space. + * The direct space (covariant) metric tensor used to transform + * vectors and coordinates from real (direct) to reciprocal space. * @return FloatColumn */ - public FloatColumn getReciprocalMetricTensor() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_metric_tensor")); + public FloatColumn getMetricTensor() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_metric_tensor")); } /** - * Orthogonal matrix of the reciprocal space. The matrix may be - * used to transform the non-orthogonal vector h = (h,k,l) into - * the orthogonal indices p = (p,q,r) + * Orthogonal matrix of the crystal unit cell. Definition uses + * Rollett's axial assignments with cell vectors a,b,c aligned + * with orthogonal axes X,Y,Z so that c||Z and b in plane YZ. * - * M h = p + * Ref: Rollett, J. S. (1965). Computing Methods in Crystallography, p. 22. + * Oxford: Pergamon Press. * @return FloatColumn */ - public FloatColumn getReciprocalOrthogonalMatrix() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_orthogonal_matrix")); + public FloatColumn getOrthogonalMatrix() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_orthogonal_matrix")); } /** @@ -221,6 +241,44 @@ public FloatColumn getReciprocalLengthC() { return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_length_c")); } + /** + * The reciprocal (contravariant) metric tensor used to transform + * vectors and coordinates from reciprocal space to real (direct) + * space. + * @return FloatColumn + */ + public FloatColumn getReciprocalMetricTensor() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_metric_tensor")); + } + + /** + * Standard uncertainty of _cell.reciprocal_metric_tensor. + * @return FloatColumn + */ + public FloatColumn getReciprocalMetricTensorSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_metric_tensor_su")); + } + + /** + * Orthogonal matrix of the reciprocal space. The matrix may be + * used to transform the non-orthogonal vector h = (h,k,l) into + * the orthogonal indices p = (p,q,r): + * + * M h = p. + * @return FloatColumn + */ + public FloatColumn getReciprocalOrthogonalMatrix() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_orthogonal_matrix")); + } + + /** + * Standard uncertainty of _cell.reciprocal_orthogonal_matrix. + * @return FloatColumn + */ + public FloatColumn getReciprocalOrthogonalMatrixSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_orthogonal_matrix_su")); + } + /** * Reciprocal of the _cell.vector_a. * @return FloatColumn @@ -229,6 +287,14 @@ public FloatColumn getReciprocalVectorA() { return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_vector_a")); } + /** + * Standard uncertainty of _cell.reciprocal_vector_a. + * @return FloatColumn + */ + public FloatColumn getReciprocalVectorASu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_vector_a_su")); + } + /** * Reciprocal of the _cell.vector_b. * @return FloatColumn @@ -237,6 +303,14 @@ public FloatColumn getReciprocalVectorB() { return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_vector_b")); } + /** + * Standard uncertainty of _cell.reciprocal_vector_b. + * @return FloatColumn + */ + public FloatColumn getReciprocalVectorBSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_vector_b_su")); + } + /** * Reciprocal of the _cell.vector_c. * @return FloatColumn @@ -245,6 +319,14 @@ public FloatColumn getReciprocalVectorC() { return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_vector_c")); } + /** + * Standard uncertainty of _cell.reciprocal_vector_c. + * @return FloatColumn + */ + public FloatColumn getReciprocalVectorCSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_reciprocal_vector_c_su")); + } + /** * The cell vector along the x axis. * @return FloatColumn @@ -254,53 +336,51 @@ public FloatColumn getVectorA() { } /** - * The cell vector along the y axis. + * Standard uncertainty of _cell.vector_a. * @return FloatColumn */ - public FloatColumn getVectorB() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_vector_b")); + public FloatColumn getVectorASu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_vector_a_su")); } /** - * The cell vector along the z axis. + * The cell vector along the y axis. * @return FloatColumn */ - public FloatColumn getVectorC() { - return new DelegatingFloatColumn(parentBlock.getColumn("cell_vector_c")); + public FloatColumn getVectorB() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_vector_b")); } /** - * Description of special aspects of the cell choice, noting - * possible alternative settings. - * @return StrColumn + * Standard uncertainty of _cell.vector_b. + * @return FloatColumn */ - public StrColumn getDetails() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("cell_details", "cell_special_details")); + public FloatColumn getVectorBSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_vector_b_su")); } /** - * Description of special aspects of the cell choice, noting - * possible alternative settings. - * @return StrColumn + * The cell vector along the z axis. + * @return FloatColumn */ - public StrColumn getSpecialDetails() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("cell_details", "cell_special_details")); + public FloatColumn getVectorC() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_vector_c")); } /** - * Standard uncertainty of the volume of the crystal unit cell. + * Standard uncertainty of _cell.vector_c. * @return FloatColumn */ - public FloatColumn getVolumeEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_volume_esd", "cell_volume_su")); + public FloatColumn getVectorCSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_vector_c_su")); } /** - * Standard uncertainty of the volume of the crystal unit cell. + * Volume of the crystal unit cell. * @return FloatColumn */ - public FloatColumn getVolumeSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_volume_esd", "cell_volume_su")); + public FloatColumn getVolume() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_volume")); } /** @@ -319,20 +399,12 @@ public FloatColumn getAngleAlphaSu() { return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_alpha_esd", "cell_angle_alpha_su")); } - /** - * Standard uncertainty of the angle between the bounding cell axes. - * @return FloatColumn - */ - public FloatColumn getBetaSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_beta_su", "cell_angle_beta_esd")); - } - /** * Standard uncertainty of the angle between the bounding cell axes. * @return FloatColumn */ public FloatColumn getAngleBetaEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_beta_su", "cell_angle_beta_esd")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_beta_esd", "cell_angle_beta_su")); } /** @@ -340,15 +412,7 @@ public FloatColumn getAngleBetaEsd() { * @return FloatColumn */ public FloatColumn getAngleBetaSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_beta_su", "cell_angle_beta_esd")); - } - - /** - * Standard uncertainty of the angle between the bounding cell axes. - * @return FloatColumn - */ - public FloatColumn getGammaSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_gamma_su", "cell_angle_gamma_esd")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_beta_esd", "cell_angle_beta_su")); } /** @@ -356,7 +420,7 @@ public FloatColumn getGammaSu() { * @return FloatColumn */ public FloatColumn getAngleGammaEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_gamma_su", "cell_angle_gamma_esd")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_gamma_esd", "cell_angle_gamma_su")); } /** @@ -364,7 +428,7 @@ public FloatColumn getAngleGammaEsd() { * @return FloatColumn */ public FloatColumn getAngleGammaSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_gamma_su", "cell_angle_gamma_esd")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_gamma_esd", "cell_angle_gamma_su")); } /** @@ -416,8 +480,7 @@ public FloatColumn getLengthCSu() { } /** - * Standard Uncertainty of the - * Reciprocal of the angle between _cell.length_b and _cell.length_c. + * Standard uncertainty of _cell.reciprocal_angle_alpha. * @return FloatColumn */ public FloatColumn getReciprocalAngleAlphaEsd() { @@ -425,8 +488,7 @@ public FloatColumn getReciprocalAngleAlphaEsd() { } /** - * Standard Uncertainty of the - * Reciprocal of the angle between _cell.length_b and _cell.length_c. + * Standard uncertainty of _cell.reciprocal_angle_alpha. * @return FloatColumn */ public FloatColumn getReciprocalAngleAlphaSu() { @@ -434,8 +496,7 @@ public FloatColumn getReciprocalAngleAlphaSu() { } /** - * Standard Uncertainty of the - * Reciprocal of the angle between _cell.length_a and _cell.length_c. + * Standard uncertainty of _cell.reciprocal_angle_beta. * @return FloatColumn */ public FloatColumn getReciprocalAngleBetaEsd() { @@ -443,8 +504,7 @@ public FloatColumn getReciprocalAngleBetaEsd() { } /** - * Standard Uncertainty of the - * Reciprocal of the angle between _cell.length_a and _cell.length_c. + * Standard uncertainty of _cell.reciprocal_angle_beta. * @return FloatColumn */ public FloatColumn getReciprocalAngleBetaSu() { @@ -452,8 +512,7 @@ public FloatColumn getReciprocalAngleBetaSu() { } /** - * Standard Uncertainty of the - * Reciprocal of the angle between _cell.length_a and _cell.length_b. + * Standard uncertainty of _cell.reciprocal_angle_gamma. * @return FloatColumn */ public FloatColumn getReciprocalAngleGammaEsd() { @@ -461,8 +520,7 @@ public FloatColumn getReciprocalAngleGammaEsd() { } /** - * Standard Uncertainty of the - * Reciprocal of the angle between _cell.length_a and _cell.length_b. + * Standard uncertainty of _cell.reciprocal_angle_gamma. * @return FloatColumn */ public FloatColumn getReciprocalAngleGammaSu() { @@ -470,7 +528,7 @@ public FloatColumn getReciprocalAngleGammaSu() { } /** - * Standard Uncertainty of the reciprocal of the _cell.length_a. + * Standard uncertainty of _cell.reciprocal_length_a. * @return FloatColumn */ public FloatColumn getReciprocalLengthAEsd() { @@ -478,7 +536,7 @@ public FloatColumn getReciprocalLengthAEsd() { } /** - * Standard Uncertainty of the reciprocal of the _cell.length_a. + * Standard uncertainty of _cell.reciprocal_length_a. * @return FloatColumn */ public FloatColumn getReciprocalLengthASu() { @@ -486,7 +544,7 @@ public FloatColumn getReciprocalLengthASu() { } /** - * Standard Uncertainty of the reciprocal of the _cell.length_b. + * Standard uncertainty of _cell.reciprocal_length_b. * @return FloatColumn */ public FloatColumn getReciprocalLengthBEsd() { @@ -494,7 +552,7 @@ public FloatColumn getReciprocalLengthBEsd() { } /** - * Standard Uncertainty of the reciprocal of the _cell.length_b. + * Standard uncertainty of _cell.reciprocal_length_b. * @return FloatColumn */ public FloatColumn getReciprocalLengthBSu() { @@ -502,7 +560,7 @@ public FloatColumn getReciprocalLengthBSu() { } /** - * Standard Uncertainty of the reciprocal of the _cell.length_c. + * Standard uncertainty of _cell.reciprocal_length_c. * @return FloatColumn */ public FloatColumn getReciprocalLengthCEsd() { @@ -510,11 +568,45 @@ public FloatColumn getReciprocalLengthCEsd() { } /** - * Standard Uncertainty of the reciprocal of the _cell.length_c. + * Standard uncertainty of _cell.reciprocal_length_c. * @return FloatColumn */ public FloatColumn getReciprocalLengthCSu() { return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_reciprocal_length_c_esd", "cell_reciprocal_length_c_su")); } + /** + * Description of special aspects of the cell choice, noting + * possible alternative settings. + * @return StrColumn + */ + public StrColumn getDetails() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("cell_details", "cell_special_details")); + } + + /** + * Description of special aspects of the cell choice, noting + * possible alternative settings. + * @return StrColumn + */ + public StrColumn getSpecialDetails() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("cell_details", "cell_special_details")); + } + + /** + * Standard uncertainty of _cell.volume. + * @return FloatColumn + */ + public FloatColumn getVolumeEsd() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_volume_esd", "cell_volume_su")); + } + + /** + * Standard uncertainty of _cell.volume. + * @return FloatColumn + */ + public FloatColumn getVolumeSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_volume_esd", "cell_volume_su")); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/CellAngle.java b/src/main/java/org/rcsb/cif/schema/core/CellAngle.java deleted file mode 100644 index 52d02a6fb..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/CellAngle.java +++ /dev/null @@ -1,35 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class CellAngle extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "cell_angle"; - - public CellAngle(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - /** - * Standard uncertainty of the angle between the bounding cell axes. - * @return FloatColumn - */ - public FloatColumn getBetaSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_beta_su", "cell_angle_beta_esd")); - } - - /** - * Standard uncertainty of the angle between the bounding cell axes. - * @return FloatColumn - */ - public FloatColumn getGammaSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("cell_angle_gamma_su", "cell_angle_gamma_esd")); - } - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/CellMeasurement.java b/src/main/java/org/rcsb/cif/schema/core/CellMeasurement.java index e7aee61b8..078f5acc0 100644 --- a/src/main/java/org/rcsb/cif/schema/core/CellMeasurement.java +++ b/src/main/java/org/rcsb/cif/schema/core/CellMeasurement.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe the angles between - * the axes in the crystal unit cell. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class CellMeasurement extends DelegatingCategory.DelegatingCifCoreCategory { @@ -18,8 +17,30 @@ public CellMeasurement(CifCoreBlock parentBlock) { } /** + * A pointer to the diffraction conditions used for cell measurement, + * where different to the diffraction conditions used for data + * collection. + * @return StrColumn + */ + public StrColumn getConditionId() { + return new DelegatingStrColumn(parentBlock.getColumn("cell_measurement_condition_id")); + } + + /** + * A pointer to the diffraction experiment to which the measured cell + * has been applied. + * @return StrColumn + */ + public StrColumn getDiffrnId() { + return new DelegatingStrColumn(parentBlock.getColumn("cell_measurement_diffrn_id")); + } + + /** + * **DEPRECATED** + * * The pressure at which the unit-cell parameters were measured * (not the pressure used to synthesize the sample). + * Replaced by '_diffrn.ambient_pressure' * @return FloatColumn */ public FloatColumn getPressure() { @@ -27,7 +48,11 @@ public FloatColumn getPressure() { } /** + * ** DEPRECATED ** + * * Description of the radiation used to measure the unit-cell data. + * Items from the DIFFRN_RADIATION category should be used instead + * of this item. * @return StrColumn */ public StrColumn getRadiation() { @@ -36,7 +61,7 @@ public StrColumn getRadiation() { /** * Total number of reflections used to determine the unit cell. - * The reflections may be specified as cell_measurement_refln items. + * The reflections may be specified as CELL_MEASUREMENT_REFLN items. * @return IntColumn */ public IntColumn getReflnsUsed() { @@ -44,7 +69,7 @@ public IntColumn getReflnsUsed() { } /** - * Maximum theta scattering angle of reflections used to measure + * Maximum θ scattering angle of reflections used to measure * the crystal unit cell. * @return FloatColumn */ @@ -53,7 +78,7 @@ public FloatColumn getThetaMax() { } /** - * Minimum theta scattering angle of reflections used to measure + * Minimum θ scattering angle of reflections used to measure * the crystal unit cell. * @return FloatColumn */ @@ -62,9 +87,11 @@ public FloatColumn getThetaMin() { } /** + * ** DEPRECATED ** + * * Wavelength of the radiation used to measure the unit cell. - * If this is not specified, the wavelength is assumed to be the - * same as that given in _diffrn_radiation_wavelength.value + * Items from the DIFFRN_RADIATION_WAVELENGTH category should + * be used instead of this item. * @return FloatColumn */ public FloatColumn getWavelength() { @@ -72,8 +99,19 @@ public FloatColumn getWavelength() { } /** - * The standard uncertainty of the pressure at which - * the unit-cell parameters were measured. + * ** DEPRECATED ** + * + * Standard uncertainty of _cell_measurement.wavelength. + * @return FloatColumn + */ + public FloatColumn getWavelengthSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_measurement_wavelength_su")); + } + + /** + * ** DEPRECATED ** + * + * Standard uncertainty of _cell_measurement.pressure. * @return FloatColumn */ public FloatColumn getPressureEsd() { @@ -81,8 +119,9 @@ public FloatColumn getPressureEsd() { } /** - * The standard uncertainty of the pressure at which - * the unit-cell parameters were measured. + * ** DEPRECATED ** + * + * Standard uncertainty of _cell_measurement.pressure. * @return FloatColumn */ public FloatColumn getPressureSu() { @@ -90,8 +129,11 @@ public FloatColumn getPressureSu() { } /** + * ** DEPRECATED ** + * * The temperature at which the unit-cell parameters were measured * (not the temperature of synthesis). + * _diffrn.ambient_temperature should be used instead of this item. * @return FloatColumn */ public FloatColumn getTemp() { @@ -99,8 +141,11 @@ public FloatColumn getTemp() { } /** + * ** DEPRECATED ** + * * The temperature at which the unit-cell parameters were measured * (not the temperature of synthesis). + * _diffrn.ambient_temperature should be used instead of this item. * @return FloatColumn */ public FloatColumn getTemperature() { @@ -108,8 +153,9 @@ public FloatColumn getTemperature() { } /** - * The standard uncertainty of the temperature of at which - * the unit-cell parameters were measured. + * ** DEPRECATED ** + * + * Standard uncertainty of _cell_measurement.temperature. * @return FloatColumn */ public FloatColumn getTempEsd() { @@ -117,8 +163,9 @@ public FloatColumn getTempEsd() { } /** - * The standard uncertainty of the temperature of at which - * the unit-cell parameters were measured. + * ** DEPRECATED ** + * + * Standard uncertainty of _cell_measurement.temperature. * @return FloatColumn */ public FloatColumn getTemperatureSu() { diff --git a/src/main/java/org/rcsb/cif/schema/core/CellMeasurementRefln.java b/src/main/java/org/rcsb/cif/schema/core/CellMeasurementRefln.java index 47144f8bd..ef1886a50 100644 --- a/src/main/java/org/rcsb/cif/schema/core/CellMeasurementRefln.java +++ b/src/main/java/org/rcsb/cif/schema/core/CellMeasurementRefln.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe the reflection data - * used in the measurement of the crystal unit cell. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class CellMeasurementRefln extends DelegatingCategory.DelegatingCifCoreCategory { @@ -57,4 +56,12 @@ public FloatColumn getTheta() { return new DelegatingFloatColumn(parentBlock.getColumn("cell_measurement_refln_theta")); } + /** + * Standard uncertainty of _cell_measurement_refln.theta. + * @return FloatColumn + */ + public FloatColumn getThetaSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("cell_measurement_refln_theta_su")); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Chemical.java b/src/main/java/org/rcsb/cif/schema/core/Chemical.java index 715cf3b12..5aae4fc8a 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Chemical.java +++ b/src/main/java/org/rcsb/cif/schema/core/Chemical.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which describe the composition and - * chemical properties of the compound under study. The formula data - * items must be consistent with the density, unit-cell and Z values. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Chemical extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,11 +17,13 @@ public Chemical(CifCoreBlock parentBlock) { } /** - * Necessary conditions for this assignment are given by - * Flack, H. D. & Bernardinelli, G. (1999). Acta Cryst. A55, - * 908-915. (http://www.iucr.org/paper?sh0129) - * Flack, H. D. & Bernardinelli, G. (2000). J. Appl. Cryst. - * 33, 1143-1148. (http://www.iucr.org/paper?ks0021) + * Necessary conditions for this assignment are given by H. D. Flack + * and G. Bernardinelli (1999, 2000). + * + * Ref: Flack, H. D. & Bernardinelli, G. (1999). Acta Cryst. A55, 908-915. + * https://doi.org/10.1107/S0108767399004262 + * Flack, H. D. & Bernardinelli, G. (2000). J. Appl. Cryst. 33, 1143-1148. + * https://doi.org/10.1107/S0021889800007184 * @return StrColumn */ public StrColumn getAbsoluteConfiguration() { @@ -32,8 +32,8 @@ public StrColumn getAbsoluteConfiguration() { /** * Description of the source of the compound under study, or of the - * parent molecule if a simple derivative is studied. This includes - * the place of discovery for minerals or the actual source of a + * parent molecule if a simple derivative is studied. This includes + * the place of discovery for minerals or the actual source of a * natural product. * @return StrColumn */ @@ -48,15 +48,25 @@ public StrColumn getCompoundSource() { * Enantioexcess is defined in the IUPAC Recommendations * (Moss et al., 1996). The composition of the crystal * and bulk must be the same. - * Ref: Moss G. P. et al. (1996). Basic Terminology of - * Stereochemistry. Pure Appl. Chem., 68, 2193-2222. - * http://www.chem.qmul.ac.uk/iupac/stereo/index.html + * + * Ref: Moss G. P. et al. (1996). Basic Terminology of Stereochemistry. + * Pure Appl. Chem. 68, 2193-2222. + * https://doi.org/10.1351/pac199668122193 + * https://iupac.qmul.ac.uk/stereo/ * @return FloatColumn */ public FloatColumn getEnantioexcessBulk() { return new DelegatingFloatColumn(parentBlock.getColumn("chemical_enantioexcess_bulk")); } + /** + * Standard uncertainty of _chemical.enantioexcess_bulk. + * @return FloatColumn + */ + public FloatColumn getEnantioexcessBulkSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("chemical_enantioexcess_bulk_su")); + } + /** * Technique used to determine the enantioexcess of the bulk compound. * @return StrColumn @@ -71,15 +81,24 @@ public StrColumn getEnantioexcessBulkTechnique() { * 1.0 indicates that the crystal is enantiomerically pure. * Enantioexcess is defined in the IUPAC Recommendations * (Moss et al., 1996). - * Ref: Moss G. P. et al. (1996). Basic Terminology of - * Stereochemistry. Pure Appl. Chem., 68, 2193-2222. - * http://www.chem.qmul.ac.uk/iupac/stereo/index.html + * Ref: Moss G. P. et al. (1996). Basic Terminology of Stereochemistry. + * Pure Appl. Chem., 68, 2193-2222. + * https://doi.org/10.1351/pac199668122193 + * https://iupac.qmul.ac.uk/stereo/ * @return FloatColumn */ public FloatColumn getEnantioexcessCrystal() { return new DelegatingFloatColumn(parentBlock.getColumn("chemical_enantioexcess_crystal")); } + /** + * Standard uncertainty of _chemical.enantioexcess_crystal. + * @return FloatColumn + */ + public FloatColumn getEnantioexcessCrystalSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("chemical_enantioexcess_crystal_su")); + } + /** * Technique used to determine the enantioexcess of the crystal. * @return StrColumn @@ -95,7 +114,8 @@ public StrColumn getEnantioexcessCrystalTechnique() { * and to facilitate the search for such information in databases * and on the web. * Ref: McNaught, A. (2006). Chem. Int. (IUPAC), 28 (6), 12-14. - * http://www.iupac.org/inchi/ + * https://doi.org/10.1515/ci.2006.28.6.12 + * https://www.iupac.org/inchi/ * @return StrColumn */ public StrColumn getIdentifierInchi() { @@ -106,7 +126,7 @@ public StrColumn getIdentifierInchi() { * The InChIKey is a compact hashed version of the full InChI * (IUPAC International Chemical Identifier), designed to allow * for easy web searches of chemical compounds. See - * http://www.iupac.org/inchi/ + * https://www.iupac.org/inchi/ * @return StrColumn */ public StrColumn getIdentifierInchiKey() { @@ -130,6 +150,14 @@ public FloatColumn getMeltingPoint() { return new DelegatingFloatColumn(parentBlock.getColumn("chemical_melting_point")); } + /** + * Standard uncertainty of _chemical.melting_point. + * @return FloatColumn + */ + public FloatColumn getMeltingPointSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("chemical_melting_point_su")); + } + /** * A temperature above which the melting point lies. * _chemical.melting_point should be used in preference where possible. @@ -186,7 +214,7 @@ public StrColumn getNameSystematic() { * The optical rotation in solution of the compound is * specified in the following format: * - * '[\a]^TEMP^~WAVE~ = SORT (c = CONC, SOLV)' + * '[α]^TEMP^~WAVE~ = SORT (c = CONC, SOLV)' * * where: TEMP is the temperature of the measurement in degrees Celsius, * WAVE is an indication of the wavelength of the light @@ -194,7 +222,7 @@ public StrColumn getNameSystematic() { * CONC is the concentration of the solution given as the * mass of the substance in g in 100 ml of solution, * SORT is the signed value (preceded by a + or a - sign) - * of 100.\a/(l.c), where \a is the signed optical + * of 100.α/(l.c), where α is the signed optical * rotation in degrees measured in a cell of length l in * dm and c is the value of CONC in g, and * SOLV is the chemical formula of the solvent. @@ -273,8 +301,7 @@ public FloatColumn getTemperatureSublimationLt() { } /** - * Standard Uncertainty of the - * temperature at which a crystalline solid decomposes. + * Standard uncertainty of _chemical.temperature_decomposition. * @return FloatColumn */ public FloatColumn getTemperatureDecompositionEsd() { @@ -282,8 +309,7 @@ public FloatColumn getTemperatureDecompositionEsd() { } /** - * Standard Uncertainty of the - * temperature at which a crystalline solid decomposes. + * Standard uncertainty of _chemical.temperature_decomposition. * @return FloatColumn */ public FloatColumn getTemperatureDecompositionSu() { @@ -291,8 +317,7 @@ public FloatColumn getTemperatureDecompositionSu() { } /** - * Standard Uncertainty of the - * temperature at which a crystalline solid sublimates. + * Standard uncertainty of _chemical.temperature_sublimation. * @return FloatColumn */ public FloatColumn getTemperatureSublimationEsd() { @@ -300,8 +325,7 @@ public FloatColumn getTemperatureSublimationEsd() { } /** - * Standard Uncertainty of the - * temperature at which a crystalline solid sublimates. + * Standard uncertainty of _chemical.temperature_sublimation. * @return FloatColumn */ public FloatColumn getTemperatureSublimationSu() { diff --git a/src/main/java/org/rcsb/cif/schema/core/ChemicalConnAtom.java b/src/main/java/org/rcsb/cif/schema/core/ChemicalConnAtom.java index ab7bb127b..8797c90b4 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ChemicalConnAtom.java +++ b/src/main/java/org/rcsb/cif/schema/core/ChemicalConnAtom.java @@ -6,15 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which describe the 2D chemical structure of - * the molecular species. They allow a 2D chemical diagram to be - * reconstructed for use in a publication or in a database search - * for structural and substructural relationships. In particular, - * the chemical_conn_atom data items provide information about the - * chemical properties of the atoms in the structure. In cases - * where crystallographic and molecular symmetry elements coincide - * they must also contain symmetry-generated atoms, so as to describe - * a complete chemical entity. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ChemicalConnAtom extends DelegatingCategory.DelegatingCifCoreCategory { @@ -55,8 +47,8 @@ public FloatColumn getDisplayY() { * Total number of connected atoms excluding terminal hydrogen atoms. * @return IntColumn */ - public IntColumn getNCA() { - return new DelegatingIntColumn(parentBlock.getColumn("chemical_conn_atom_NCA")); + public IntColumn getNca() { + return new DelegatingIntColumn(parentBlock.getColumn("chemical_conn_atom_nca")); } /** @@ -67,8 +59,8 @@ public IntColumn getNCA() { * atoms appear in the atom_site list. * @return IntColumn */ - public IntColumn getNH() { - return new DelegatingIntColumn(parentBlock.getColumn("chemical_conn_atom_NH")); + public IntColumn getNh() { + return new DelegatingIntColumn(parentBlock.getColumn("chemical_conn_atom_nh")); } /** diff --git a/src/main/java/org/rcsb/cif/schema/core/ChemicalConnBond.java b/src/main/java/org/rcsb/cif/schema/core/ChemicalConnBond.java index ebce9c3dd..8cd15b39e 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ChemicalConnBond.java +++ b/src/main/java/org/rcsb/cif/schema/core/ChemicalConnBond.java @@ -6,13 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the connections between - * the atoms sites in the chemical_conn_atom list and the nature - * of the chemical bond between these atoms. These are details about - * the two-dimensional (2D) chemical structure of the molecular species. - * They allow a 2D chemical diagram to be reconstructed for use in a - * publication or in a database search for structural and substructural - * relationships. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ChemicalConnBond extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/ChemicalFormula.java b/src/main/java/org/rcsb/cif/schema/core/ChemicalFormula.java index 0c50574e0..656b86338 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ChemicalFormula.java +++ b/src/main/java/org/rcsb/cif/schema/core/ChemicalFormula.java @@ -6,49 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the composition and chemical - * properties of the compound. The formula data items must agree - * with those that specify the density, unit-cell and Z values. * - * The following rules apply to the construction of the data items - * _chemical_formula.analytical, *.structural and *.sum. For the - * data item *.moiety the formula construction is broken up into - * residues or moieties, i.e. groups of atoms that form a molecular - * unit or molecular ion. The rules given below apply within each - * moiety but different requirements apply to the way that moieties - * are connected (see _chemical_formula.moiety). - * - * 1. Only recognized element symbols may be used. - * - * 2. Each element symbol is followed by a 'count' number. A count of - * '1' may be omitted. - * - * 3. A space or parenthesis must separate each cluster of (element - * symbol + count). - * - * 4. Where a group of elements is enclosed in parentheses, the - * multiplier for the group must follow the closing parentheses. - * That is, all element and group multipliers are assumed to be - * printed as subscripted numbers. [An exception to this rule - * exists for *.moiety formulae where pre- and post-multipliers - * are permitted for molecular units]. - * - * 5. Unless the elements are ordered in a manner that corresponds to - * their chemical structure, as in _chemical_formula.structural, - * the order of the elements within any group or moiety - * depends on whether or not carbon is present. If carbon is - * present, the order should be: C, then H, then the other - * elements in alphabetical order of their symbol. If carbon is - * not present, the elements are listed purely in alphabetic order - * of their symbol. This is the 'Hill' system used by Chemical - * Abstracts. This ordering is used in _chemical_formula.moiety - * and _chemical_formula.sum. - * - * _chemical_formula.iupac '[Mo (C O)4 (C18 H33 P)2]' - * _chemical_formula.moiety 'C40 H66 Mo O4 P2' - * _chemical_formula.structural '((C O)4 (P (C6 H11)3)2)Mo' - * _chemical_formula.sum 'C40 H66 Mo O4 P2' - * _chemical_formula.weight 768.81 */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ChemicalFormula extends DelegatingCategory.DelegatingCifCoreCategory { @@ -93,7 +51,7 @@ public StrColumn getIupac() { * 3. Parentheses are not used within moieties but may surround * a moiety. Parentheses may not be nested. * 4. Charges should be placed at the end of the moiety. The - * Singlege '+' or '-' may be preceded by a numerical multiplier + * charge '+' or '-' may be preceded by a numerical multiplier * and should be separated from the last (element symbol + * count) by a space. Pre- or post-multipliers may be used for * individual moieties. @@ -108,10 +66,10 @@ public StrColumn getMoiety() { * trace elements not included in atom type and atom site lists should * not be included. See category description for the rules for writing * chemical formulae for inorganics, organometallics, metal complexes - * etc., in which bonded groups are preserved as discrete entities + * etc., in which bonded groups are preserved as discrete entities * within parentheses, with post-multipliers as required. The order of * the elements should give as much information as possible about the - * chemical structure. Parentheses may be used and nested as required. + * chemical structure. Parentheses may be used and nested as required. * This formula should correspond to the structure as actually reported, * i.e. trace elements not included in atom-type and atom-site lists * should not be included (see also _chemical_formula.analytical). @@ -124,7 +82,7 @@ public StrColumn getStructural() { /** * Chemical formulae in which all discrete bonded residues and ions are * summed over the constituent elements, following the ordering given - * in rule 5 of the CATEGORY description. Parentheses normally not used. + * in rule 5 of the category description. Parentheses normally not used. * @return StrColumn */ public StrColumn getSum() { @@ -133,7 +91,7 @@ public StrColumn getSum() { /** * Mass corresponding to the formulae _chemical_formula.structural, - * *_iupac, *_moiety or *_sum and, together with the Z value and cell + * *.IUPAC, *.moiety or *.sum and, together with the Z value and cell * parameters yield the density given as _exptl_crystal.density_diffrn. * @return FloatColumn */ @@ -149,4 +107,12 @@ public FloatColumn getWeightMeas() { return new DelegatingFloatColumn(parentBlock.getColumn("chemical_formula_weight_meas")); } + /** + * Standard uncertainty of _chemical_formula.weight_meas. + * @return FloatColumn + */ + public FloatColumn getWeightMeasSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("chemical_formula_weight_meas_su")); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/CifCore.java b/src/main/java/org/rcsb/cif/schema/core/CifCore.java deleted file mode 100644 index 44e35e927..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/CifCore.java +++ /dev/null @@ -1,21 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The CIF_CORE group contains the definitions of data items that - * are common to all domains of crystallographic studies. - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class CifCore extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "cif_core"; - - public CifCore(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/CifCoreBlock.java b/src/main/java/org/rcsb/cif/schema/core/CifCoreBlock.java index ac5b57843..4b73edffd 100644 --- a/src/main/java/org/rcsb/cif/schema/core/CifCoreBlock.java +++ b/src/main/java/org/rcsb/cif/schema/core/CifCoreBlock.java @@ -28,20 +28,20 @@ public Column getAliasedColumn(String... aliases) { @Override protected Category createDelegate(String categoryName, Category category) { switch (categoryName) { - case "cif_core": - return getCifCore(); - case "diffraction": - return getDiffraction(); case "diffrn": return getDiffrn(); + case "cell": + return getCell(); + case "cell_measurement": + return getCellMeasurement(); + case "cell_measurement_refln": + return getCellMeasurementRefln(); case "diffrn_attenuator": return getDiffrnAttenuator(); case "diffrn_detector": return getDiffrnDetector(); case "diffrn_measurement": return getDiffrnMeasurement(); - case "diffrn_orient": - return getDiffrnOrient(); case "diffrn_orient_matrix": return getDiffrnOrientMatrix(); case "diffrn_orient_refln": @@ -62,8 +62,8 @@ protected Category createDelegate(String categoryName, Category category) { return getDiffrnScaleGroup(); case "diffrn_source": return getDiffrnSource(); - case "diffrn_standard": - return getDiffrnStandard(); + case "diffrn_standards": + return getDiffrnStandards(); case "diffrn_standard_refln": return getDiffrnStandardRefln(); case "refln": @@ -78,12 +78,6 @@ protected Category createDelegate(String categoryName, Category category) { return getReflnsShell(); case "exptl": return getExptl(); - case "cell": - return getCell(); - case "cell_measurement": - return getCellMeasurement(); - case "cell_measurement_refln": - return getCellMeasurementRefln(); case "chemical": return getChemical(); case "chemical_conn_atom": @@ -102,16 +96,14 @@ protected Category createDelegate(String categoryName, Category category) { return getExptlCrystalFace(); case "space_group": return getSpaceGroup(); + case "symmetry": + return getSymmetry(); case "space_group_generator": return getSpaceGroupGenerator(); case "space_group_symop": return getSpaceGroupSymop(); case "space_group_wyckoff": return getSpaceGroupWyckoff(); - case "function": - return getFunction(); - case "model": - return getModel(); case "geom": return getGeom(); case "geom_angle": @@ -126,24 +118,24 @@ protected Category createDelegate(String categoryName, Category category) { return getGeomTorsion(); case "model_site": return getModelSite(); - case "valence": - return getValence(); case "valence_param": return getValenceParam(); case "valence_ref": return getValenceRef(); - case "publication": - return getPublication(); case "audit": return getAudit(); case "audit_author": return getAuditAuthor(); + case "audit_author_role": + return getAuditAuthorRole(); case "audit_conform": return getAuditConform(); case "audit_contact_author": return getAuditContactAuthor(); case "audit_link": return getAuditLink(); + case "audit_support": + return getAuditSupport(); case "citation": return getCitation(); case "citation_author": @@ -158,8 +150,6 @@ protected Category createDelegate(String categoryName, Category category) { return getDatabaseCode(); case "database_related": return getDatabaseRelated(); - case "display": - return getDisplay(); case "display_colour": return getDisplayColour(); case "journal": @@ -188,10 +178,14 @@ protected Category createDelegate(String categoryName, Category category) { return getPublRequested(); case "publ_section": return getPublSection(); - case "structure": - return getStructure(); - case "atom": - return getAtom(); + case "atom_analytical": + return getAtomAnalytical(); + case "atom_analytical_mass_loss": + return getAtomAnalyticalMassLoss(); + case "atom_analytical_source": + return getAtomAnalyticalSource(); + case "atom_scat_versus_stol": + return getAtomScatVersusStol(); case "atom_site": return getAtomSite(); case "atom_site_aniso": @@ -214,12 +208,8 @@ protected Category createDelegate(String categoryName, Category category) { return getRefineLs(); case "refine_ls_class": return getRefineLsClass(); - case "symmetry": - return getSymmetry(); - case "diffrn_standards": - return getDiffrnStandards(); - case "cell_angle": - return getCellAngle(); + case "function": + return getFunction(); case "chem_comp_bond": return getChemCompBond(); case "symmetry_equiv": @@ -234,34 +224,39 @@ protected Category createDelegate(String categoryName, Category category) { } /** - * The CIF_CORE group contains the definitions of data items that - * are common to all domains of crystallographic studies. - * @return CifCore + * + * @return Diffrn */ - public CifCore getCifCore() { - return new CifCore(this); + public Diffrn getDiffrn() { + return new Diffrn(this); } /** - * The DICTIONARY group encompassing the CORE DIFFRACTION data items defined - * and used with in the Crystallographic Information Framework (CIF). - * @return Diffraction + * + * @return Cell */ - public Diffraction getDiffraction() { - return new Diffraction(this); + public Cell getCell() { + return new Cell(this); } /** - * The CATEGORY of data items used to describe the diffraction experiment. - * @return Diffrn + * + * @return CellMeasurement */ - public Diffrn getDiffrn() { - return new Diffrn(this); + public CellMeasurement getCellMeasurement() { + return new CellMeasurement(this); + } + + /** + * + * @return CellMeasurementRefln + */ + public CellMeasurementRefln getCellMeasurementRefln() { + return new CellMeasurementRefln(this); } /** - * The CATEGORY of data items which specify the attenuators used in the - * diffraction source. + * * @return DiffrnAttenuator */ public DiffrnAttenuator getDiffrnAttenuator() { @@ -269,8 +264,7 @@ public DiffrnAttenuator getDiffrnAttenuator() { } /** - * The CATEGORY of data items which specify the detectors used in the - * in the measurement of diffraction intensities. + * * @return DiffrnDetector */ public DiffrnDetector getDiffrnDetector() { @@ -278,8 +272,7 @@ public DiffrnDetector getDiffrnDetector() { } /** - * The CATEGORY of data items which specify the details of the - * diffraction measurement. + * * @return DiffrnMeasurement */ public DiffrnMeasurement getDiffrnMeasurement() { @@ -287,17 +280,7 @@ public DiffrnMeasurement getDiffrnMeasurement() { } /** - * The CATEGORY of data items which specify the orientation of the crystal - * axes to the diffractometer goniometer. - * @return DiffrnOrient - */ - public DiffrnOrient getDiffrnOrient() { - return new DiffrnOrient(this); - } - - /** - * The CATEGORY of data items which specify the matrix specifying the - * orientation of the crystal axes to the diffractometer goniometer. + * * @return DiffrnOrientMatrix */ public DiffrnOrientMatrix getDiffrnOrientMatrix() { @@ -305,9 +288,7 @@ public DiffrnOrientMatrix getDiffrnOrientMatrix() { } /** - * The CATEGORY of data items which specify the reflections used to - * calculate the matrix which gives the orientation of the crystal - * axes to the diffractometer goniometer. + * * @return DiffrnOrientRefln */ public DiffrnOrientRefln getDiffrnOrientRefln() { @@ -315,10 +296,7 @@ public DiffrnOrientRefln getDiffrnOrientRefln() { } /** - * The CATEGORY of data items which specify the wavelength of the - * radiation used in measuring diffraction intensities. Items may be - * looped to identify and assign weights to distinct wavelength - * components from a polychromatic beam. + * * @return DiffrnRadiation */ public DiffrnRadiation getDiffrnRadiation() { @@ -326,10 +304,7 @@ public DiffrnRadiation getDiffrnRadiation() { } /** - * The CATEGORY of data items which specify the wavelength of the - * radiation used in measuring diffraction intensities. Items may be - * looped to identify and assign weights to distinct wavelength - * components from a polychromatic beam. + * * @return DiffrnRadiationWavelength */ public DiffrnRadiationWavelength getDiffrnRadiationWavelength() { @@ -337,8 +312,7 @@ public DiffrnRadiationWavelength getDiffrnRadiationWavelength() { } /** - * The CATEGORY of data items which specify the reflection measurements, - * prior to data reduction and merging. + * * @return DiffrnRefln */ public DiffrnRefln getDiffrnRefln() { @@ -346,8 +320,7 @@ public DiffrnRefln getDiffrnRefln() { } /** - * The CATEGORY of data items which specify the overall reflection - * measurement information. + * * @return DiffrnReflns */ public DiffrnReflns getDiffrnReflns() { @@ -355,8 +328,7 @@ public DiffrnReflns getDiffrnReflns() { } /** - * The CATEGORY of data items which specify different classes of - * reflections in the raw measured diffraction data. + * * @return DiffrnReflnsClass */ public DiffrnReflnsClass getDiffrnReflnsClass() { @@ -364,12 +336,7 @@ public DiffrnReflnsClass getDiffrnReflnsClass() { } /** - * The CATEGORY of data items which specify the elements of the matrix - * used to transform the reflection indices _diffrn_refln.hkl - * into _refln.hkl. - * |11 12 13| - * (h k l) diffraction |21 22 23| = (h' k' l') - * |31 32 33| + * * @return DiffrnReflnsTransfMatrix */ public DiffrnReflnsTransfMatrix getDiffrnReflnsTransfMatrix() { @@ -377,8 +344,7 @@ public DiffrnReflnsTransfMatrix getDiffrnReflnsTransfMatrix() { } /** - * The CATEGORY of data items which specify the groups of reflections in - * the raw measured diffraction data with different relative scales. + * * @return DiffrnScaleGroup */ public DiffrnScaleGroup getDiffrnScaleGroup() { @@ -386,8 +352,7 @@ public DiffrnScaleGroup getDiffrnScaleGroup() { } /** - * The CATEGORY of data items which specify information about the - * radiation source. + * * @return DiffrnSource */ public DiffrnSource getDiffrnSource() { @@ -395,18 +360,15 @@ public DiffrnSource getDiffrnSource() { } /** - * The CATEGORY of data items which specify information about the - * standard reflections used in the diffraction measurement process. - * @return DiffrnStandard + * + * @return DiffrnStandards */ - public DiffrnStandard getDiffrnStandard() { - return new DiffrnStandard(this); + public DiffrnStandards getDiffrnStandards() { + return new DiffrnStandards(this); } /** - * The CATEGORY of data items which specify the "standard" reflections - * measured repeatedly to monitor variations in intensity due to source - * flux, environment conditions or crystal quality. + * * @return DiffrnStandardRefln */ public DiffrnStandardRefln getDiffrnStandardRefln() { @@ -414,8 +376,7 @@ public DiffrnStandardRefln getDiffrnStandardRefln() { } /** - * The CATEGORY of data items used to describe the reflection data - * used in the refinement of a crystallographic structure model. + * * @return Refln */ public Refln getRefln() { @@ -423,13 +384,7 @@ public Refln getRefln() { } /** - * The CATEGORY of data items used to specify parameters for the complete - * set of reflections used in the structure refinement process. Note that - * these parameters are often similar measures to those defined in the - * DIFFRN categories, but differ in that the parameters refer to the - * reduced/transformed reflections which have been used to refine the - * atom site data in the ATOM_SITE category. The DIFFRN definitions refer - * to the diffraction measurements and the raw reflection data. + * * @return Reflns */ public Reflns getReflns() { @@ -437,8 +392,7 @@ public Reflns getReflns() { } /** - * The CATEGORY of data items which specify the properties of reflections - * in specific classes of reflections. + * * @return ReflnsClass */ public ReflnsClass getReflnsClass() { @@ -446,8 +400,7 @@ public ReflnsClass getReflnsClass() { } /** - * The CATEGORY of data items which specify the scales needed to place - * measured structure factor coefficients on the same absolute scale. + * * @return ReflnsScale */ public ReflnsScale getReflnsScale() { @@ -455,8 +408,7 @@ public ReflnsScale getReflnsScale() { } /** - * The CATEGORY of data items which specify the information about - * reflections divided into shells bounded by d resolution limits. + * * @return ReflnsShell */ public ReflnsShell getReflnsShell() { @@ -464,9 +416,7 @@ public ReflnsShell getReflnsShell() { } /** - * The CATEGORY of data items used to specify the experimental work - * prior to diffraction measurements. These include crystallization - * crystal measurements and absorption-correction techniques used.. + * * @return Exptl */ public Exptl getExptl() { @@ -474,36 +424,7 @@ public Exptl getExptl() { } /** - * The CATEGORY of data items used to describe the parameters of - * the crystal unit cell and their measurement. - * @return Cell - */ - public Cell getCell() { - return new Cell(this); - } - - /** - * The CATEGORY of data items used to describe the angles between - * the axes in the crystal unit cell. - * @return CellMeasurement - */ - public CellMeasurement getCellMeasurement() { - return new CellMeasurement(this); - } - - /** - * The CATEGORY of data items used to describe the reflection data - * used in the measurement of the crystal unit cell. - * @return CellMeasurementRefln - */ - public CellMeasurementRefln getCellMeasurementRefln() { - return new CellMeasurementRefln(this); - } - - /** - * The CATEGORY of data items which describe the composition and - * chemical properties of the compound under study. The formula data - * items must be consistent with the density, unit-cell and Z values. + * * @return Chemical */ public Chemical getChemical() { @@ -511,15 +432,7 @@ public Chemical getChemical() { } /** - * The CATEGORY of data items which describe the 2D chemical structure of - * the molecular species. They allow a 2D chemical diagram to be - * reconstructed for use in a publication or in a database search - * for structural and substructural relationships. In particular, - * the chemical_conn_atom data items provide information about the - * chemical properties of the atoms in the structure. In cases - * where crystallographic and molecular symmetry elements coincide - * they must also contain symmetry-generated atoms, so as to describe - * a complete chemical entity. + * * @return ChemicalConnAtom */ public ChemicalConnAtom getChemicalConnAtom() { @@ -527,13 +440,7 @@ public ChemicalConnAtom getChemicalConnAtom() { } /** - * The CATEGORY of data items which specify the connections between - * the atoms sites in the chemical_conn_atom list and the nature - * of the chemical bond between these atoms. These are details about - * the two-dimensional (2D) chemical structure of the molecular species. - * They allow a 2D chemical diagram to be reconstructed for use in a - * publication or in a database search for structural and substructural - * relationships. + * * @return ChemicalConnBond */ public ChemicalConnBond getChemicalConnBond() { @@ -541,49 +448,7 @@ public ChemicalConnBond getChemicalConnBond() { } /** - * The CATEGORY of data items which specify the composition and chemical - * properties of the compound. The formula data items must agree - * with those that specify the density, unit-cell and Z values. - * - * The following rules apply to the construction of the data items - * _chemical_formula.analytical, *.structural and *.sum. For the - * data item *.moiety the formula construction is broken up into - * residues or moieties, i.e. groups of atoms that form a molecular - * unit or molecular ion. The rules given below apply within each - * moiety but different requirements apply to the way that moieties - * are connected (see _chemical_formula.moiety). - * - * 1. Only recognized element symbols may be used. - * - * 2. Each element symbol is followed by a 'count' number. A count of - * '1' may be omitted. - * - * 3. A space or parenthesis must separate each cluster of (element - * symbol + count). - * - * 4. Where a group of elements is enclosed in parentheses, the - * multiplier for the group must follow the closing parentheses. - * That is, all element and group multipliers are assumed to be - * printed as subscripted numbers. [An exception to this rule - * exists for *.moiety formulae where pre- and post-multipliers - * are permitted for molecular units]. - * - * 5. Unless the elements are ordered in a manner that corresponds to - * their chemical structure, as in _chemical_formula.structural, - * the order of the elements within any group or moiety - * depends on whether or not carbon is present. If carbon is - * present, the order should be: C, then H, then the other - * elements in alphabetical order of their symbol. If carbon is - * not present, the elements are listed purely in alphabetic order - * of their symbol. This is the 'Hill' system used by Chemical - * Abstracts. This ordering is used in _chemical_formula.moiety - * and _chemical_formula.sum. - * - * _chemical_formula.iupac '[Mo (C O)4 (C18 H33 P)2]' - * _chemical_formula.moiety 'C40 H66 Mo O4 P2' - * _chemical_formula.structural '((C O)4 (P (C6 H11)3)2)Mo' - * _chemical_formula.sum 'C40 H66 Mo O4 P2' - * _chemical_formula.weight 768.81 + * * @return ChemicalFormula */ public ChemicalFormula getChemicalFormula() { @@ -591,9 +456,7 @@ public ChemicalFormula getChemicalFormula() { } /** - * The CATEGORY of data items used to specify the experimental details - * of the absorption measurements and corrections to the diffraction - * data. + * * @return ExptlAbsorpt */ public ExptlAbsorpt getExptlAbsorpt() { @@ -601,8 +464,7 @@ public ExptlAbsorpt getExptlAbsorpt() { } /** - * The CATEGORY of data items used to specify information about - * crystals used in the diffraction measurements. + * * @return ExptlCrystal */ public ExptlCrystal getExptlCrystal() { @@ -610,8 +472,7 @@ public ExptlCrystal getExptlCrystal() { } /** - * The CATEGORY of ENUMERATION items used to specify information about the - * crystal colour and appearance. + * * @return ExptlCrystalAppearance */ public ExptlCrystalAppearance getExptlCrystalAppearance() { @@ -619,8 +480,7 @@ public ExptlCrystalAppearance getExptlCrystalAppearance() { } /** - * The CATEGORY of data items which specify the dimensions of the - * crystal used in the diffraction measurements. + * * @return ExptlCrystalFace */ public ExptlCrystalFace getExptlCrystalFace() { @@ -628,27 +488,7 @@ public ExptlCrystalFace getExptlCrystalFace() { } /** - * The CATEGORY of data items used to specify space group - * information about the crystal used in the diffraction measurements. * - * Space-group types are identified by their number as listed in - * International Tables for Crystallography Volume A, or by their - * Schoenflies symbol. Specific settings of the space groups can - * be identified by their Hall symbol, by specifying their - * symmetry operations or generators, or by giving the - * transformation that relates the specific setting to the - * reference setting based on International Tables Volume A and - * stored in this dictionary. - * - * The commonly used Hermann-Mauguin symbol determines the - * space-group type uniquely but several different Hermann-Mauguin - * symbols may refer to the same space-group type. A - * Hermann-Mauguin symbol contains information on the choice of - * the basis, but not on the choice of origin. - * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. * @return SpaceGroup */ public SpaceGroup getSpaceGroup() { @@ -656,8 +496,15 @@ public SpaceGroup getSpaceGroup() { } /** - * The CATEGORY of data items used to list generators for - * the space group + * + * @return Symmetry + */ + public Symmetry getSymmetry() { + return new Symmetry(this); + } + + /** + * * @return SpaceGroupGenerator */ public SpaceGroupGenerator getSpaceGroupGenerator() { @@ -665,8 +512,7 @@ public SpaceGroupGenerator getSpaceGroupGenerator() { } /** - * The CATEGORY of data items used to describe symmetry equivalent sites - * in the crystal unit cell. + * * @return SpaceGroupSymop */ public SpaceGroupSymop getSpaceGroupSymop() { @@ -674,10 +520,7 @@ public SpaceGroupSymop getSpaceGroupSymop() { } /** - * Contains information about Wyckoff positions of a space group. - * Only one site can be given for each special position but the - * remainder can be generated by applying the symmetry operations - * stored in _space_group_symop.operation_xyz. + * * @return SpaceGroupWyckoff */ public SpaceGroupWyckoff getSpaceGroupWyckoff() { @@ -685,41 +528,7 @@ public SpaceGroupWyckoff getSpaceGroupWyckoff() { } /** - * The crystallographic functions the invoked in the definition - * methods of CORE STRUCTURE data items defined and used with in - * the Crystallographic Information Framework (CIF). - * @return Function - */ - public Function getFunction() { - return new Function(this); - } - - /** - * Items in the MODEL Category specify data for the crystal structure - * postulated and modelled from the atomic coordinates derived and - * refined from the diffraction information. The structural model is - * described principally in terms of the geometry of the 'connected' - * atom sites and the crystal symmetry in which they reside. - * @return Model - */ - public Model getModel() { - return new Model(this); - } - - /** - * The CATEGORY of data items used to specify the geometry - * of the structural model as derived from the atomic sites. - * The geometry is expressed in terms of the interatomic - * angles (GEOM_ANGLE data), covalent bond distances - * (GEOM_BOND data), contact distances (GEOM_CONTACT data), - * hydrogen bonds (GEOM_HBOND data) and torsion geometry - * (GEOM_TORSION data). - * Geometry data are usually redundant, in that they can be - * calculated from other more fundamental quantities in the data - * block. However, they serve the dual purposes of providing a - * check on the correctness of both sets of data and of enabling - * the most important geometric data to be identified for - * publication by setting the appropriate publication flag. + * * @return Geom */ public Geom getGeom() { @@ -727,8 +536,7 @@ public Geom getGeom() { } /** - * The CATEGORY of data items used to specify the geometry angles in the - * structural model as derived from the atomic sites. + * * @return GeomAngle */ public GeomAngle getGeomAngle() { @@ -736,8 +544,7 @@ public GeomAngle getGeomAngle() { } /** - * The CATEGORY of data items used to specify the geometry bonds in the - * structural model as derived from the atomic sites. + * * @return GeomBond */ public GeomBond getGeomBond() { @@ -745,8 +552,7 @@ public GeomBond getGeomBond() { } /** - * The CATEGORY of data items used to specify the interatomic - * contact distances in the structural model. + * * @return GeomContact */ public GeomContact getGeomContact() { @@ -754,8 +560,7 @@ public GeomContact getGeomContact() { } /** - * The CATEGORY of data items used to specify the hydrogen bond - * distances in the structural model as derived from atomic sites. + * * @return GeomHbond */ public GeomHbond getGeomHbond() { @@ -763,8 +568,7 @@ public GeomHbond getGeomHbond() { } /** - * The CATEGORY of data items used to specify the torsion angles in the - * structural model as derived from the atomic sites. + * * @return GeomTorsion */ public GeomTorsion getGeomTorsion() { @@ -772,8 +576,7 @@ public GeomTorsion getGeomTorsion() { } /** - * The CATEGORY of data items used to describe atomic sites and - * connections in the proposed atomic model. + * * @return ModelSite */ public ModelSite getModelSite() { @@ -781,16 +584,7 @@ public ModelSite getModelSite() { } /** - * The CATEGORY of items used to specify bond valence parameters - * used to calculate bond valences from bond lengths. - * @return Valence - */ - public Valence getValence() { - return new Valence(this); - } - - /** - * The CATEGORY of items for listing bond valences. + * * @return ValenceParam */ public ValenceParam getValenceParam() { @@ -798,7 +592,7 @@ public ValenceParam getValenceParam() { } /** - * The CATEGORY of items for listing valence references. + * * @return ValenceRef */ public ValenceRef getValenceRef() { @@ -806,17 +600,7 @@ public ValenceRef getValenceRef() { } /** - * The DICTIONARY group encompassing the CORE PUBLICATION data items defined - * and used with in the Crystallographic Information Framework (CIF). - * @return Publication - */ - public Publication getPublication() { - return new Publication(this); - } - - /** - * The CATEGORY of data items used to record details about the - * creation and subsequent updating of the data block. + * * @return Audit */ public Audit getAudit() { @@ -824,7 +608,7 @@ public Audit getAudit() { } /** - * The CATEGORY of data items used for author(s) details. + * * @return AuditAuthor */ public AuditAuthor getAuditAuthor() { @@ -832,8 +616,15 @@ public AuditAuthor getAuditAuthor() { } /** - * The CATEGORY of data items used describe dictionary versions - * by which data names in the current data block are conformant. + * + * @return AuditAuthorRole + */ + public AuditAuthorRole getAuditAuthorRole() { + return new AuditAuthorRole(this); + } + + /** + * * @return AuditConform */ public AuditConform getAuditConform() { @@ -841,7 +632,7 @@ public AuditConform getAuditConform() { } /** - * The CATEGORY of data items used for contact author(s) details. + * * @return AuditContactAuthor */ public AuditContactAuthor getAuditContactAuthor() { @@ -849,8 +640,7 @@ public AuditContactAuthor getAuditContactAuthor() { } /** - * The CATEGORY of data items used to record details about the - * relationships between data blocks in the current CIF. + * * @return AuditLink */ public AuditLink getAuditLink() { @@ -858,9 +648,15 @@ public AuditLink getAuditLink() { } /** - * Data items in the CITATION category record details about the - * literature cited as being relevant to the contents of the data - * block. + * + * @return AuditSupport + */ + public AuditSupport getAuditSupport() { + return new AuditSupport(this); + } + + /** + * * @return Citation */ public Citation getCitation() { @@ -868,7 +664,7 @@ public Citation getCitation() { } /** - * Category of items describing citation author(s) details. + * * @return CitationAuthor */ public CitationAuthor getCitationAuthor() { @@ -876,7 +672,7 @@ public CitationAuthor getCitationAuthor() { } /** - * Category of items describing citation editor(s) details. + * * @return CitationEditor */ public CitationEditor getCitationEditor() { @@ -884,8 +680,7 @@ public CitationEditor getCitationEditor() { } /** - * The CATEGORY of data items used to record details of the - * computer programs used in the crystal structure analysis. + * * @return Computing */ public Computing getComputing() { @@ -893,7 +688,7 @@ public Computing getComputing() { } /** - * The CATEGORY of data items recording database deposition. + * * @return Database */ public Database getDatabase() { @@ -901,9 +696,7 @@ public Database getDatabase() { } /** - * The CATEGORY of data items recording database deposition. These data items - * are assigned by database managers and should only appear in a CIF if they - * originate from that source. + * * @return DatabaseCode */ public DatabaseCode getDatabaseCode() { @@ -911,10 +704,7 @@ public DatabaseCode getDatabaseCode() { } /** - * A category of items recording entries in databases that describe - * the same or related data. Databases wishing to insert their own - * canonical codes when archiving and delivering data blocks should - * use items from the DATABASE category. + * * @return DatabaseRelated */ public DatabaseRelated getDatabaseRelated() { @@ -922,17 +712,7 @@ public DatabaseRelated getDatabaseRelated() { } /** - * The CATEGORY of data items used to enumerate the display - * parameters used in the discipline. - * @return Display - */ - public Display getDisplay() { - return new Display(this); - } - - /** - * The CATEGORY of data items used to enumerate the display - * colour codes used in the discipline. + * * @return DisplayColour */ public DisplayColour getDisplayColour() { @@ -940,10 +720,7 @@ public DisplayColour getDisplayColour() { } /** - * Category of items recording details about the book-keeping - * by the journal staff when processing a CIF submitted for - * publication. The creator of a CIF will not normally specify - * these data items. + * * @return Journal */ public Journal getJournal() { @@ -951,7 +728,7 @@ public Journal getJournal() { } /** - * Category of items recording co-editor details. + * * @return JournalCoeditor */ public JournalCoeditor getJournalCoeditor() { @@ -959,7 +736,7 @@ public JournalCoeditor getJournalCoeditor() { } /** - * Category of items recording dates of publication processing. + * * @return JournalDate */ public JournalDate getJournalDate() { @@ -967,7 +744,7 @@ public JournalDate getJournalDate() { } /** - * Category of items describing publication indices. + * * @return JournalIndex */ public JournalIndex getJournalIndex() { @@ -975,8 +752,7 @@ public JournalIndex getJournalIndex() { } /** - * Category of items recording details of the technical editor - * processing this publication. + * * @return JournalTecheditor */ public JournalTecheditor getJournalTecheditor() { @@ -984,15 +760,7 @@ public JournalTecheditor getJournalTecheditor() { } /** - * Data items in the PUBL category are used when submitting a - * manuscript for publication. They refer either to the paper as - * a whole, or to specific named elements within a paper (such as - * the title and abstract, or the Comment and Experimental - * sections of Acta Crystallographica Section C). The data items - * in the PUBL_BODY category should be used for the textual - * content of other submissions. Typically, each journal will - * supply a list of the specific items it requires in its Notes - * for Authors. + * * @return Publ */ public Publ getPubl() { @@ -1000,7 +768,7 @@ public Publ getPubl() { } /** - * Category of data items recording the author information. + * * @return PublAuthor */ public PublAuthor getPublAuthor() { @@ -1008,13 +776,7 @@ public PublAuthor getPublAuthor() { } /** - * Data items in the PUBL_BODY category permit labelling of - * different text sections within the body of a submitted paper. - * Note that these should not be used in a paper which has - * a standard format with sections tagged by specific data names - * (such as in Acta Crystallographica Section C). Typically, - * each journal will supply a list of the specific items it - * requires in its Notes for Authors. + * * @return PublBody */ public PublBody getPublBody() { @@ -1022,7 +784,7 @@ public PublBody getPublBody() { } /** - * Category of items describing contact author(s) details. + * * @return PublContactAuthor */ public PublContactAuthor getPublContactAuthor() { @@ -1030,7 +792,7 @@ public PublContactAuthor getPublContactAuthor() { } /** - * Category of items describing the publication manuscript. + * * @return PublManuscript */ public PublManuscript getPublManuscript() { @@ -1038,14 +800,7 @@ public PublManuscript getPublManuscript() { } /** - * Category of data items that allow the authors of a manuscript to - * submit for publication data names that should be added to the - * standard request list employed by journal printing software. - * Although these fields are primarily intended to identify CIF data - * items that the author wishes to include in a published paper, they - * can also be used to identify data names created so that non-CIF items - * can be included in the publication. Note that *.item names MUST be - * enclosed in single quotes. + * * @return PublManuscriptInclExtra */ public PublManuscriptInclExtra getPublManuscriptInclExtra() { @@ -1053,8 +808,7 @@ public PublManuscriptInclExtra getPublManuscriptInclExtra() { } /** - * CATEGORY of data items that enable the author to make - * specific requests to the journal office for processing. + * * @return PublRequested */ public PublRequested getPublRequested() { @@ -1062,12 +816,7 @@ public PublRequested getPublRequested() { } /** - * Manuscript section data if submitted in parts. see also - * _publ_manuscript.text and _publ_manuscript.processed. - * The _publ_section.exptl_prep, _publ_section.exptl_refinement - * and _publ_section.exptl_solution items are preferred for - * separating the chemical preparation, refinement and structure - * solution aspects of the experimental description. + * * @return PublSection */ public PublSection getPublSection() { @@ -1075,26 +824,39 @@ public PublSection getPublSection() { } /** - * The DICTIONARY group encompassing the CORE STRUCTURE data items defined - * and used with in the Crystallographic Information Framework (CIF). - * @return Structure + * + * @return AtomAnalytical + */ + public AtomAnalytical getAtomAnalytical() { + return new AtomAnalytical(this); + } + + /** + * + * @return AtomAnalyticalMassLoss + */ + public AtomAnalyticalMassLoss getAtomAnalyticalMassLoss() { + return new AtomAnalyticalMassLoss(this); + } + + /** + * + * @return AtomAnalyticalSource */ - public Structure getStructure() { - return new Structure(this); + public AtomAnalyticalSource getAtomAnalyticalSource() { + return new AtomAnalyticalSource(this); } /** - * The CATEGORY of data items used to describe atomic information - * used in crystallographic structure studies. - * @return Atom + * + * @return AtomScatVersusStol */ - public Atom getAtom() { - return new Atom(this); + public AtomScatVersusStol getAtomScatVersusStol() { + return new AtomScatVersusStol(this); } /** - * The CATEGORY of data items used to describe atom site information - * used in crystallographic structure studies. + * * @return AtomSite */ public AtomSite getAtomSite() { @@ -1102,8 +864,7 @@ public AtomSite getAtomSite() { } /** - * The CATEGORY of data items used to describe the anisotropic - * thermal parameters of the atomic sites in a crystal structure. + * * @return AtomSiteAniso */ public AtomSiteAniso getAtomSiteAniso() { @@ -1111,8 +872,7 @@ public AtomSiteAniso getAtomSiteAniso() { } /** - * The CATEGORY of data items used to describe information which applies - * to all atom sites in a crystal structure. + * * @return AtomSites */ public AtomSites getAtomSites() { @@ -1120,9 +880,7 @@ public AtomSites getAtomSites() { } /** - * The CATEGORY of data items used to describe the matrix elements - * used to transform Cartesion coordinates into fractional coordinates - * of all atom sites in a crystal structure. + * * @return AtomSitesCartnTransform */ public AtomSitesCartnTransform getAtomSitesCartnTransform() { @@ -1130,9 +888,7 @@ public AtomSitesCartnTransform getAtomSitesCartnTransform() { } /** - * The CATEGORY of data items used to describe the matrix elements - * used to transform Cartesion coordinates into fractional coordinates - * of all atom sites in a crystal structure. + * * @return AtomSitesFractTransform */ public AtomSitesFractTransform getAtomSitesFractTransform() { @@ -1140,8 +896,7 @@ public AtomSitesFractTransform getAtomSitesFractTransform() { } /** - * The CATEGORY of data items used to describe atomic type information - * used in crystallographic structure studies. + * * @return AtomType */ public AtomType getAtomType() { @@ -1149,8 +904,7 @@ public AtomType getAtomType() { } /** - * The CATEGORY of data items used to describe atomic scattering - * information used in crystallographic structure studies. + * * @return AtomTypeScat */ public AtomTypeScat getAtomTypeScat() { @@ -1158,8 +912,7 @@ public AtomTypeScat getAtomTypeScat() { } /** - * The CATEGORY of data items used to specify information about the - * refinement of the structural model. + * * @return Refine */ public Refine getRefine() { @@ -1167,10 +920,7 @@ public Refine getRefine() { } /** - * The CATEGORY of data items which specify the electron density limits - * in a difference Fourier map after the structure has been refined. The - * rms value is with respect to the arithmetic mean density, and is derived - * from summations over each grid point in the asymmetric unit of the cell. + * * @return RefineDiff */ public RefineDiff getRefineDiff() { @@ -1178,8 +928,7 @@ public RefineDiff getRefineDiff() { } /** - * The CATEGORY of data items used to specify information about the - * refinement of the structural model. + * * @return RefineLs */ public RefineLs getRefineLs() { @@ -1187,8 +936,7 @@ public RefineLs getRefineLs() { } /** - * The CATEGORY of data items used to specify information about the - * refinement of the structural model. + * * @return RefineLsClass */ public RefineLsClass getRefineLsClass() { @@ -1197,26 +945,10 @@ public RefineLsClass getRefineLsClass() { /** * - * @return Symmetry - */ - public Symmetry getSymmetry() { - return new Symmetry(this); - } - - /** - * - * @return DiffrnStandards - */ - public DiffrnStandards getDiffrnStandards() { - return new DiffrnStandards(this); - } - - /** - * - * @return CellAngle + * @return Function */ - public CellAngle getCellAngle() { - return new CellAngle(this); + public Function getFunction() { + return new Function(this); } /** diff --git a/src/main/java/org/rcsb/cif/schema/core/CifCoreBlockBuilder.java b/src/main/java/org/rcsb/cif/schema/core/CifCoreBlockBuilder.java index 9e84bd548..bda330465 100644 --- a/src/main/java/org/rcsb/cif/schema/core/CifCoreBlockBuilder.java +++ b/src/main/java/org/rcsb/cif/schema/core/CifCoreBlockBuilder.java @@ -52,16 +52,20 @@ public void digest(StrColumnBuilder(CATEGORY_NAME, "ambient_pressure_lt", this); } + public StrColumnBuilder enterCrystalId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "crystal_id", this); + } + public StrColumnBuilder enterCrystalSupport() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "crystal_support", this); } @@ -83,6 +67,14 @@ public StrColumnBuilder return new StrColumnBuilderImpl<>(CATEGORY_NAME, "crystal_treatment", this); } + public FloatColumnBuilder enterFluxDensity() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "flux_density", this); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + public FloatColumnBuilder enterMeasuredFractionThetaFull() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "measured_fraction_theta_full", this); } @@ -91,10 +83,30 @@ public FloatColumnBuilder(CATEGORY_NAME, "measured_fraction_theta_max", this); } + public FloatColumnBuilder enterPrecessionSemiAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "precession_semi_angle", this); + } + + public FloatColumnBuilder enterPrecessionSemiAngleSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "precession_semi_angle_su", this); + } + public StrColumnBuilder enterSymmetryDescription() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "symmetry_description", this); } + public FloatColumnBuilder enterTotalDose() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "total_dose", this); + } + + public FloatColumnBuilder enterTotalDoseSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "total_dose_su", this); + } + + public FloatColumnBuilder enterTotalExposureTime() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "total_exposure_time", this); + } + public FloatColumnBuilder enterAmbientPressureEsd() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ambient_pressure_esd", this); } @@ -111,6 +123,14 @@ public FloatColumnBuilder(CATEGORY_NAME, "ambient_temperature", this); } + public FloatColumnBuilder enterAmbientTempEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ambient_temp_esd", this); + } + + public FloatColumnBuilder enterAmbientTemperatureSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ambient_temperature_su", this); + } + public StrColumnBuilder enterAmbientTempDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ambient_temp_details", this); } @@ -135,14 +155,6 @@ public FloatColumnBuilder(CATEGORY_NAME, "ambient_temperature_lt", this); } - public FloatColumnBuilder enterAmbientTempEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ambient_temp_esd", this); - } - - public FloatColumnBuilder enterAmbientTemperatureSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ambient_temperature_su", this); - } - public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } @@ -205,1752 +217,2018 @@ public StrColumnBuilder } - public static class DiffrnAttenuatorBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_attenuator"; + public static class CellBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "cell"; - public DiffrnAttenuatorBuilder(CifCoreBlockBuilder parent) { + public CellBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); + public FloatColumnBuilder enterAngleAlpha() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_alpha", this); } - public StrColumnBuilder enterMaterial() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "material", this); + public FloatColumnBuilder enterAngleBeta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_beta", this); } - public FloatColumnBuilder enterScale() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale", this); + public FloatColumnBuilder enterAngleGamma() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_gamma", this); } - } - - public static class DiffrnDetectorBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_detector"; - - public DiffrnDetectorBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterAtomicMass() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "atomic_mass", this); } - public FloatColumnBuilder enterAreaResolMean() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "area_resol_mean", this); + public FloatColumnBuilder enterConvertUijToBetaij() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "convert_uij_to_betaij", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterConvertUijToBetaijSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "convert_uij_to_betaij_su", this); } - public StrColumnBuilder enterDetector() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "detector", this); + public FloatColumnBuilder enterConvertUisoToUij() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "convert_uiso_to_uij", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public FloatColumnBuilder enterConvertUisoToUijSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "convert_uiso_to_uij_su", this); } - public FloatColumnBuilder enterDtime() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dtime", this); + public StrColumnBuilder enterDiffrnId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "diffrn_id", this); } - public StrColumnBuilder enterType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + public FloatColumnBuilder enterFormulaUnitsZ() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "formula_units_z", this); } - public StrColumnBuilder enterMake() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "make", this); + public StrColumnBuilder enterFormulaUnitsZDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "formula_units_z_details", this); } - } - - public static class DiffrnMeasurementBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_measurement"; - - public DiffrnMeasurementBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterLengthA() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_a", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterLengthB() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_b", this); } - public StrColumnBuilder enterDevice() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device", this); + public FloatColumnBuilder enterLengthC() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_c", this); } - public StrColumnBuilder enterDeviceClass() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device_class", this); + public FloatColumnBuilder enterMetricTensor() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "metric_tensor", this); } - public StrColumnBuilder enterDeviceDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device_details", this); + public FloatColumnBuilder enterOrthogonalMatrix() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "orthogonal_matrix", this); } - public StrColumnBuilder enterDeviceType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device_type", this); + public FloatColumnBuilder enterReciprocalAngleAlpha() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_alpha", this); } - public StrColumnBuilder enterDeviceMake() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device_make", this); + public FloatColumnBuilder enterReciprocalAngleBeta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_beta", this); } - public StrColumnBuilder enterMethod() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method", this); + public FloatColumnBuilder enterReciprocalAngleGamma() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_gamma", this); } - public StrColumnBuilder enterSpecimenSupport() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "specimen_support", this); + public FloatColumnBuilder enterReciprocalLengthA() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_a", this); } - } - - public static class DiffrnOrientBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_orient"; - - public DiffrnOrientBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterReciprocalLengthB() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_b", this); } - - } - - public static class DiffrnOrientMatrixBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_orient_matrix"; - - public DiffrnOrientMatrixBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterReciprocalLengthC() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_c", this); } - public StrColumnBuilder enterType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + public FloatColumnBuilder enterReciprocalMetricTensor() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_metric_tensor", this); } - public FloatColumnBuilder enterUBIJ() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UBIJ", this); + public FloatColumnBuilder enterReciprocalMetricTensorSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_metric_tensor_su", this); } - public FloatColumnBuilder enterUB11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[1][1]", this); + public FloatColumnBuilder enterReciprocalOrthogonalMatrix() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_orthogonal_matrix", this); } - public FloatColumnBuilder enterUB12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[1][2]", this); + public FloatColumnBuilder enterReciprocalOrthogonalMatrixSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_orthogonal_matrix_su", this); } - public FloatColumnBuilder enterUB13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[1][3]", this); + public FloatColumnBuilder enterReciprocalVectorA() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_a", this); } - public FloatColumnBuilder enterUB21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[2][1]", this); + public FloatColumnBuilder enterReciprocalVectorASu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_a_su", this); } - public FloatColumnBuilder enterUB22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[2][2]", this); + public FloatColumnBuilder enterReciprocalVectorB() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_b", this); } - public FloatColumnBuilder enterUB23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[2][3]", this); + public FloatColumnBuilder enterReciprocalVectorBSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_b_su", this); } - public FloatColumnBuilder enterUB31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[3][1]", this); + public FloatColumnBuilder enterReciprocalVectorC() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_c", this); } - public FloatColumnBuilder enterUB32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[3][2]", this); + public FloatColumnBuilder enterReciprocalVectorCSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_c_su", this); } - public FloatColumnBuilder enterUB33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[3][3]", this); + public FloatColumnBuilder enterVectorA() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_a", this); } - } - - public static class DiffrnOrientReflnBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_orient_refln"; - - public DiffrnOrientReflnBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterVectorASu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_a_su", this); } - public FloatColumnBuilder enterAngleChi() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_chi", this); + public FloatColumnBuilder enterVectorB() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_b", this); } - public FloatColumnBuilder enterAngleKappa() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_kappa", this); + public FloatColumnBuilder enterVectorBSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_b_su", this); } - public FloatColumnBuilder enterAngleOmega() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_omega", this); + public FloatColumnBuilder enterVectorC() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_c", this); } - public FloatColumnBuilder enterAnglePhi() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_phi", this); + public FloatColumnBuilder enterVectorCSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_c_su", this); } - public FloatColumnBuilder enterAnglePsi() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_psi", this); + public FloatColumnBuilder enterVolume() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "volume", this); } - public FloatColumnBuilder enterAngleTheta() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_theta", this); + public FloatColumnBuilder enterAngleAlphaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_alpha_esd", this); } - public IntColumnBuilder enterHkl() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); + public FloatColumnBuilder enterAngleAlphaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_alpha_su", this); } - public IntColumnBuilder enterIndexH() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); + public FloatColumnBuilder enterAngleBetaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_beta_esd", this); } - public IntColumnBuilder enterIndexK() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); + public FloatColumnBuilder enterAngleBetaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_beta_su", this); } - public IntColumnBuilder enterIndexL() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); + public FloatColumnBuilder enterAngleGammaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_gamma_esd", this); } - } - - public static class DiffrnRadiationBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_radiation"; - - public DiffrnRadiationBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterAngleGammaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_gamma_su", this); } - public StrColumnBuilder enterCollimation() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "collimation", this); + public FloatColumnBuilder enterLengthAEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_a_esd", this); } - public FloatColumnBuilder enterFilterEdge() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "filter_edge", this); + public FloatColumnBuilder enterLengthASu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_a_su", this); } - public FloatColumnBuilder enterInhomogeneity() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "inhomogeneity", this); + public FloatColumnBuilder enterLengthBEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_b_esd", this); } - public StrColumnBuilder enterMonochromator() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "monochromator", this); + public FloatColumnBuilder enterLengthBSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_b_su", this); } - public FloatColumnBuilder enterPolarisnNorm() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "polarisn_norm", this); + public FloatColumnBuilder enterLengthCEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_c_esd", this); } - public FloatColumnBuilder enterPolarisnRatio() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "polarisn_ratio", this); + public FloatColumnBuilder enterLengthCSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_c_su", this); } - public StrColumnBuilder enterProbe() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "probe", this); + public FloatColumnBuilder enterReciprocalAngleAlphaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_alpha_esd", this); } - public StrColumnBuilder enterType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + public FloatColumnBuilder enterReciprocalAngleAlphaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_alpha_su", this); } - public StrColumnBuilder enterXraySymbol() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "xray_symbol", this); + public FloatColumnBuilder enterReciprocalAngleBetaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_beta_esd", this); } - public FloatColumnBuilder enterDetectorDtime() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "detector_dtime", this); + public FloatColumnBuilder enterReciprocalAngleBetaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_beta_su", this); } - public StrColumnBuilder enterWavelengthDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_details", this); + public FloatColumnBuilder enterReciprocalAngleGammaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_gamma_esd", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterReciprocalAngleGammaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_gamma_su", this); } - public StrColumnBuilder enterWavelengthDetermination() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_determination", this); + public FloatColumnBuilder enterReciprocalLengthAEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_a_esd", this); } - public StrColumnBuilder enterDetermination() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "determination", this); + public FloatColumnBuilder enterReciprocalLengthASu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_a_su", this); } - public StrColumnBuilder enterWavelengthId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_id", this); + public FloatColumnBuilder enterReciprocalLengthBEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_b_esd", this); } - public StrColumnBuilder enterId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public FloatColumnBuilder enterReciprocalLengthBSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_b_su", this); } - } - - public static class DiffrnRadiationWavelengthBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_radiation_wavelength"; - - public DiffrnRadiationWavelengthBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterReciprocalLengthCEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_c_esd", this); } - public FloatColumnBuilder enterWt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wt", this); + public FloatColumnBuilder enterReciprocalLengthCSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_c_su", this); } - public StrColumnBuilder enterDetails() { + public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public StrColumnBuilder enterDetermination() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "determination", this); - } - - public StrColumnBuilder enterId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); - } - - public FloatColumnBuilder enterWavelength() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength", this); - } - - public FloatColumnBuilder enterValue() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "value", this); + public StrColumnBuilder enterSpecialDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); } - public FloatColumnBuilder enterWavelengthSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_su", this); + public FloatColumnBuilder enterVolumeEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "volume_esd", this); } - public FloatColumnBuilder enterValueSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "value_su", this); + public FloatColumnBuilder enterVolumeSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "volume_su", this); } } - public static class DiffrnReflnBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_refln"; + public static class CellMeasurementBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "cell_measurement"; - public DiffrnReflnBuilder(CifCoreBlockBuilder parent) { + public CellMeasurementBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterAngleChi() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_chi", this); + public StrColumnBuilder enterConditionId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "condition_id", this); } - public FloatColumnBuilder enterAngleKappa() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_kappa", this); + public StrColumnBuilder enterDiffrnId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "diffrn_id", this); } - public FloatColumnBuilder enterAngleOmega() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_omega", this); + public FloatColumnBuilder enterPressure() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pressure", this); } - public FloatColumnBuilder enterAnglePhi() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_phi", this); + public StrColumnBuilder enterRadiation() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "radiation", this); } - public FloatColumnBuilder enterAnglePsi() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_psi", this); + public IntColumnBuilder enterReflnsUsed() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "reflns_used", this); } - public FloatColumnBuilder enterAngleTheta() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_theta", this); + public FloatColumnBuilder enterThetaMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_max", this); } - public StrColumnBuilder enterAttenuatorCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "attenuator_code", this); + public FloatColumnBuilder enterThetaMin() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_min", this); } - public StrColumnBuilder enterClassCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "class_code", this); + public FloatColumnBuilder enterWavelength() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength", this); } - public IntColumnBuilder enterCountsBg1() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_bg_1", this); + public FloatColumnBuilder enterWavelengthSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_su", this); } - public IntColumnBuilder enterCountsBg2() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_bg_2", this); + public FloatColumnBuilder enterPressureEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pressure_esd", this); } - public IntColumnBuilder enterCountsNet() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_net", this); + public FloatColumnBuilder enterPressureSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pressure_su", this); } - public IntColumnBuilder enterCountsPeak() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_peak", this); + public FloatColumnBuilder enterTemp() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temp", this); } - public IntColumnBuilder enterCountsTotal() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_total", this); + public FloatColumnBuilder enterTemperature() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temperature", this); } - public FloatColumnBuilder enterDetectSlitHoriz() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "detect_slit_horiz", this); + public FloatColumnBuilder enterTempEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temp_esd", this); } - public FloatColumnBuilder enterDetectSlitVert() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "detect_slit_vert", this); + public FloatColumnBuilder enterTemperatureSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temperature_su", this); } - public FloatColumnBuilder enterElapsedTime() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "elapsed_time", this); + } + + public static class CellMeasurementReflnBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "cell_measurement_refln"; + + public CellMeasurementReflnBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterHkl() { + public IntColumnBuilder enterHkl() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); } - public IntColumnBuilder enterIndexH() { + public IntColumnBuilder enterIndexH() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); } - public IntColumnBuilder enterIndexK() { + public IntColumnBuilder enterIndexK() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); } - public IntColumnBuilder enterIndexL() { + public IntColumnBuilder enterIndexL() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); } - public FloatColumnBuilder enterIntensityNet() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_net", this); + public FloatColumnBuilder enterTheta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta", this); } - public StrColumnBuilder enterScaleGroupCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scale_group_code", this); + public FloatColumnBuilder enterThetaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_su", this); } - public StrColumnBuilder enterScanMode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scan_mode", this); - } + } - public StrColumnBuilder enterScanModeBackgd() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scan_mode_backgd", this); + public static class DiffrnAttenuatorBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_attenuator"; + + public DiffrnAttenuatorBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterScanRate() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scan_rate", this); + public StrColumnBuilder enterCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); } - public FloatColumnBuilder enterScanTimeBackgd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scan_time_backgd", this); + public StrColumnBuilder enterMaterial() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "material", this); } - public FloatColumnBuilder enterScanWidth() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scan_width", this); + public FloatColumnBuilder enterScale() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale", this); } - public StrColumnBuilder enterStandardCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "standard_code", this); + } + + public static class DiffrnDetectorBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_detector"; + + public DiffrnDetectorBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterWavelength() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength", this); + public FloatColumnBuilder enterAreaResolMean() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "area_resol_mean", this); } - public StrColumnBuilder enterWavelengthId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_id", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public FloatColumnBuilder enterIntensitySigma() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_sigma", this); + public StrColumnBuilder enterDetector() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "detector", this); } - public FloatColumnBuilder enterIntensityU() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_u", this); + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); } - public FloatColumnBuilder enterIntensityNetSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_net_su", this); + public FloatColumnBuilder enterDtime() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dtime", this); } - public FloatColumnBuilder enterSintOverLambda() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sint_over_lambda", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public FloatColumnBuilder enterSinThetaOverLambda() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sin_theta_over_lambda", this); + public StrColumnBuilder enterMake() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "make", this); } } - public static class DiffrnReflnsBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_reflns"; + public static class DiffrnMeasurementBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_measurement"; - public DiffrnReflnsBuilder(CifCoreBlockBuilder parent) { + public DiffrnMeasurementBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterAvREquivalents() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_R_equivalents", this); + public StrColumnBuilder enterMethodPrecession() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method_precession", this); } - public FloatColumnBuilder enterLaueMeasuredFractionFull() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Laue_measured_fraction_full", this); + public StrColumnBuilder enterRotationMode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "rotation_mode", this); } - public FloatColumnBuilder enterLaueMeasuredFractionMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Laue_measured_fraction_max", this); + public StrColumnBuilder enterSampleTracking() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sample_tracking", this); } - public IntColumnBuilder enterLimitHMax() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_h_max", this); + public StrColumnBuilder enterSampleTrackingMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sample_tracking_method", this); } - public IntColumnBuilder enterLimitHMin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_h_min", this); + public StrColumnBuilder enterSpecimenAttachmentType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "specimen_attachment_type", this); } - public IntColumnBuilder enterLimitKMax() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_k_max", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public IntColumnBuilder enterLimitKMin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_k_min", this); + public StrColumnBuilder enterDevice() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device", this); } - public IntColumnBuilder enterLimitLMax() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_l_max", this); + public StrColumnBuilder enterDeviceClass() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device_class", this); } - public IntColumnBuilder enterLimitLMin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_l_min", this); + public StrColumnBuilder enterDeviceDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device_details", this); } - public FloatColumnBuilder enterLimitMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "limit_max", this); + public StrColumnBuilder enterDeviceType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device_type", this); } - public FloatColumnBuilder enterLimitMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "limit_min", this); + public StrColumnBuilder enterDeviceMake() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device_make", this); } - public IntColumnBuilder enterNumber() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number", this); + public StrColumnBuilder enterMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method", this); } - public FloatColumnBuilder enterPointMeasuredFractionFull() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "point_measured_fraction_full", this); + public StrColumnBuilder enterSpecimenSupport() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "specimen_support", this); } - public FloatColumnBuilder enterPointMeasuredFractionMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "point_measured_fraction_max", this); - } + } - public StrColumnBuilder enterReductionProcess() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reduction_process", this); - } + public static class DiffrnOrientMatrixBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_orient_matrix"; - public FloatColumnBuilder enterResolutionFull() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "resolution_full", this); + public DiffrnOrientMatrixBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterResolutionMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "resolution_max", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public FloatColumnBuilder enterThetaFull() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_full", this); + public FloatColumnBuilder enterUbij() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ubij", this); } - public FloatColumnBuilder enterThetaMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_max", this); + public FloatColumnBuilder enterUB11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[1][1]", this); } - public FloatColumnBuilder enterThetaMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_min", this); + public FloatColumnBuilder enterUb11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_11", this); } - public FloatColumnBuilder enterAvUnetI_netI() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_unetI/netI", this); + public FloatColumnBuilder enterUB12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[1][2]", this); } - public FloatColumnBuilder enterAvSigmaIOverNetI() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_sigmaI_over_netI", this); + public FloatColumnBuilder enterUb12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_12", this); } - public FloatColumnBuilder enterAvSunetIOverNetI() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_sunetI_over_netI", this); + public FloatColumnBuilder enterUB13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[1][3]", this); } - public FloatColumnBuilder enterTransfMatrix11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[1][1]", this); + public FloatColumnBuilder enterUb13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_13", this); } - public FloatColumnBuilder enter_11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "11", this); + public FloatColumnBuilder enterUB21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[2][1]", this); } - public FloatColumnBuilder enterTransfMatrix12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[1][2]", this); + public FloatColumnBuilder enterUb21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_21", this); } - public FloatColumnBuilder enter_12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "12", this); + public FloatColumnBuilder enterUB22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[2][2]", this); } - public FloatColumnBuilder enterTransfMatrix13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[1][3]", this); + public FloatColumnBuilder enterUb22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_22", this); } - public FloatColumnBuilder enter_13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "13", this); + public FloatColumnBuilder enterUB23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[2][3]", this); } - public FloatColumnBuilder enterTransfMatrix21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[2][1]", this); + public FloatColumnBuilder enterUb23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_23", this); } - public FloatColumnBuilder enter_21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "21", this); + public FloatColumnBuilder enterUB31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[3][1]", this); } - public FloatColumnBuilder enterTransfMatrix22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[2][2]", this); + public FloatColumnBuilder enterUb31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_31", this); } - public FloatColumnBuilder enter_22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "22", this); + public FloatColumnBuilder enterUB32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[3][2]", this); } - public FloatColumnBuilder enterTransfMatrix23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[2][3]", this); + public FloatColumnBuilder enterUb32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_32", this); } - public FloatColumnBuilder enter_23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "23", this); + public FloatColumnBuilder enterUB33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "UB[3][3]", this); } - public FloatColumnBuilder enterTransfMatrix31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[3][1]", this); + public FloatColumnBuilder enterUb33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ub_33", this); } - public FloatColumnBuilder enter_31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "31", this); + } + + public static class DiffrnOrientReflnBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_orient_refln"; + + public DiffrnOrientReflnBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterTransfMatrix32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[3][2]", this); + public FloatColumnBuilder enterAngleChi() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_chi", this); } - public FloatColumnBuilder enter_32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "32", this); + public FloatColumnBuilder enterAngleChiSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_chi_su", this); } - public FloatColumnBuilder enterTransfMatrix33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[3][3]", this); + public FloatColumnBuilder enterAngleKappa() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_kappa", this); } - public FloatColumnBuilder enter_33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "33", this); + public FloatColumnBuilder enterAngleKappaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_kappa_su", this); } - } + public FloatColumnBuilder enterAngleOmega() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_omega", this); + } - public static class DiffrnReflnsClassBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_reflns_class"; + public FloatColumnBuilder enterAngleOmegaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_omega_su", this); + } - public DiffrnReflnsClassBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterAnglePhi() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_phi", this); } - public FloatColumnBuilder enterAvREq() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_R_eq", this); + public FloatColumnBuilder enterAnglePhiSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_phi_su", this); } - public StrColumnBuilder enterCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); + public FloatColumnBuilder enterAnglePsi() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_psi", this); } - public FloatColumnBuilder enterDResHigh() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_high", this); + public FloatColumnBuilder enterAnglePsiSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_psi_su", this); } - public FloatColumnBuilder enterDResLow() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_low", this); + public FloatColumnBuilder enterAngleTheta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_theta", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public FloatColumnBuilder enterAngleThetaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_theta_su", this); } - public IntColumnBuilder enterNumber() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number", this); + public IntColumnBuilder enterHkl() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); } - public FloatColumnBuilder enterAvUI_I() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_uI/I", this); + public IntColumnBuilder enterIndexH() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); } - public FloatColumnBuilder enterAvSgI_I() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_sgI/I", this); + public IntColumnBuilder enterIndexK() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); } - public FloatColumnBuilder enterAvSuIOverI() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_suI_over_I", this); + public IntColumnBuilder enterIndexL() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); } } - public static class DiffrnReflnsTransfMatrixBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_reflns_transf_matrix"; + public static class DiffrnRadiationBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_radiation"; - public DiffrnReflnsTransfMatrixBuilder(CifCoreBlockBuilder parent) { + public DiffrnRadiationBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterTIJ() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "TIJ", this); + public StrColumnBuilder enterCollimation() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "collimation", this); } - public FloatColumnBuilder enter_11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "11", this); + public FloatColumnBuilder enterFilterEdge() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "filter_edge", this); } - public FloatColumnBuilder enter_12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "12", this); + public StrColumnBuilder enterIlluminationMode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "illumination_mode", this); } - public FloatColumnBuilder enter_13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "13", this); + public FloatColumnBuilder enterInhomogeneity() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "inhomogeneity", this); } - public FloatColumnBuilder enter_21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "21", this); + public StrColumnBuilder enterMonochromator() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "monochromator", this); } - public FloatColumnBuilder enter_22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "22", this); + public FloatColumnBuilder enterPolarisnNorm() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "polarisn_norm", this); } - public FloatColumnBuilder enter_23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "23", this); + public FloatColumnBuilder enterPolarisnRatio() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "polarisn_ratio", this); } - public FloatColumnBuilder enter_31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "31", this); + public StrColumnBuilder enterProbe() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "probe", this); } - public FloatColumnBuilder enter_32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "32", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public FloatColumnBuilder enter_33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "33", this); + public StrColumnBuilder enterXraySymbol() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "xray_symbol", this); } - } + public FloatColumnBuilder enterDetectorDtime() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "detector_dtime", this); + } - public static class DiffrnScaleGroupBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_scale_group"; + public StrColumnBuilder enterWavelengthDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_details", this); + } - public DiffrnScaleGroupBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public StrColumnBuilder enterCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); + public StrColumnBuilder enterWavelengthDetermination() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_determination", this); } - public FloatColumnBuilder enterINet() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "I_net", this); + public StrColumnBuilder enterDetermination() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "determination", this); } } - public static class DiffrnSourceBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_source"; + public static class DiffrnRadiationWavelengthBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_radiation_wavelength"; - public DiffrnSourceBuilder(CifCoreBlockBuilder parent) { + public DiffrnRadiationWavelengthBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterCurrent() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "current", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public StrColumnBuilder enterDevice() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device", this); + public FloatColumnBuilder enterWt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wt", this); } - public FloatColumnBuilder enterPower() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "power", this); + public StrColumnBuilder enterXraySymbol() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "xray_symbol", this); } - public StrColumnBuilder enterSize() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "size", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public StrColumnBuilder enterTarget() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target", this); + public StrColumnBuilder enterDetermination() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "determination", this); } - public FloatColumnBuilder enterVoltage() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "voltage", this); + public FloatColumnBuilder enterWavelength() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength", this); } - public StrColumnBuilder enterSource() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "source", this); + public FloatColumnBuilder enterValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "value", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public FloatColumnBuilder enterWavelengthSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_su", this); } - public StrColumnBuilder enterType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + public FloatColumnBuilder enterValueSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "value_su", this); } - public StrColumnBuilder enterMake() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "make", this); - } + } - public FloatColumnBuilder enterTake_offAngle() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "take-off_angle", this); - } + public static class DiffrnReflnBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_refln"; - public FloatColumnBuilder enterTakeOffAngle() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "take_off_angle", this); + public DiffrnReflnBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - } - - public static class DiffrnStandardBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_standard"; - - public DiffrnStandardBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterAngleChi() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_chi", this); } - public FloatColumnBuilder enterDecay() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "decay_%", this); + public FloatColumnBuilder enterAngleKappa() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_kappa", this); } - public FloatColumnBuilder enterDecayPercent() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "decay_percent", this); + public FloatColumnBuilder enterAngleOmega() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_omega", this); } - public IntColumnBuilder enterIntervalCount() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "interval_count", this); + public FloatColumnBuilder enterAnglePhi() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_phi", this); } - public FloatColumnBuilder enterIntervalTime() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "interval_time", this); + public FloatColumnBuilder enterAnglePsi() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_psi", this); } - public IntColumnBuilder enterNumber() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number", this); + public FloatColumnBuilder enterAngleTheta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_theta", this); } - public FloatColumnBuilder enterScaleSigma() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_sigma", this); + public StrColumnBuilder enterAttenuatorCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "attenuator_code", this); } - public FloatColumnBuilder enterScaleU() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_u", this); + public StrColumnBuilder enterClassCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "class_code", this); } - public FloatColumnBuilder enterScaleSuAverage() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_su_average", this); + public IntColumnBuilder enterCountsBg1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_bg_1", this); } - } - - public static class DiffrnStandardReflnBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_standard_refln"; - - public DiffrnStandardReflnBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public IntColumnBuilder enterCountsBg2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_bg_2", this); } - public IntColumnBuilder enterHkl() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); + public FloatColumnBuilder enterCountsNet() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "counts_net", this); } - public IntColumnBuilder enterIndexH() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); + public FloatColumnBuilder enterCountsNetSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "counts_net_su", this); } - public IntColumnBuilder enterIndexK() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); + public IntColumnBuilder enterCountsPeak() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_peak", this); } - public IntColumnBuilder enterIndexL() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); + public IntColumnBuilder enterCountsTotal() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "counts_total", this); } - public StrColumnBuilder enterDiffrnId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "diffrn_id", this); + public FloatColumnBuilder enterDetectSlitHoriz() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "detect_slit_horiz", this); } - public StrColumnBuilder enterCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); + public FloatColumnBuilder enterDetectSlitVert() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "detect_slit_vert", this); } - } - - public static class ReflnBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "refln"; - - public ReflnBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterElapsedTime() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "elapsed_time", this); } - public FloatColumnBuilder enterACalc() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "A_calc", this); + public IntColumnBuilder enterHkl() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); } - public FloatColumnBuilder enterAMeas() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "A_meas", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public FloatColumnBuilder enterBCalc() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_calc", this); + public IntColumnBuilder enterIndexH() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); } - public FloatColumnBuilder enterBMeas() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_meas", this); + public IntColumnBuilder enterIndexK() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); } - public StrColumnBuilder enterClassCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "class_code", this); + public IntColumnBuilder enterIndexL() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); } - public FloatColumnBuilder enterDSpacing() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_spacing", this); + public FloatColumnBuilder enterIntensityBg1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_bg_1", this); } - public FloatColumnBuilder enterFCalc() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_calc", this); + public FloatColumnBuilder enterIntensityBg1Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_bg_1_su", this); } - public StrColumnBuilder enterFComplex() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "F_complex", this); + public FloatColumnBuilder enterIntensityBg2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_bg_2", this); } - public FloatColumnBuilder enterFMeas() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_meas", this); + public FloatColumnBuilder enterIntensityBg2Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_bg_2_su", this); } - public FloatColumnBuilder enterFSquaredCalc() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_squared_calc", this); + public FloatColumnBuilder enterIntensityNet() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_net", this); } - public FloatColumnBuilder enterFSquaredMeas() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_squared_meas", this); + public FloatColumnBuilder enterIntensityPeak() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_peak", this); } - public FloatColumnBuilder enterFom() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fom", this); + public FloatColumnBuilder enterIntensityPeakSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_peak_su", this); } - public FloatColumnBuilder enterFormFactorTable() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "form_factor_table", this); + public FloatColumnBuilder enterIntensityTotal() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_total", this); } - public IntColumnBuilder enterHkl() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); + public FloatColumnBuilder enterIntensityTotalSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_total_su", this); } - public IntColumnBuilder enterIndexH() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); + public StrColumnBuilder enterScaleGroupCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scale_group_code", this); } - public IntColumnBuilder enterIndexK() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); + public StrColumnBuilder enterScanMode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scan_mode", this); } - public IntColumnBuilder enterIndexL() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); + public StrColumnBuilder enterScanModeBackgd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scan_mode_backgd", this); } - public FloatColumnBuilder enterIntensityCalc() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_calc", this); + public FloatColumnBuilder enterScanRate() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scan_rate", this); } - public FloatColumnBuilder enterIntensityMeas() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_meas", this); + public FloatColumnBuilder enterScanTimeBackgd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scan_time_backgd", this); } - public FloatColumnBuilder enterLpFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Lp_factor", this); + public FloatColumnBuilder enterScanWidth() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scan_width", this); } - public FloatColumnBuilder enterMeanPathLengthTbar() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_path_length_tbar", this); + public StrColumnBuilder enterStandardCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "standard_code", this); } - public FloatColumnBuilder enterPhaseCalc() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "phase_calc", this); + public FloatColumnBuilder enterWavelength() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength", this); } - public FloatColumnBuilder enterPhaseMeas() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "phase_meas", this); + public StrColumnBuilder enterWavelengthId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_id", this); } - public StrColumnBuilder enterRefinementStatus() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "refinement_status", this); + public FloatColumnBuilder enterIntensitySigma() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_sigma", this); } - public StrColumnBuilder enterScaleGroupCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scale_group_code", this); + public FloatColumnBuilder enterIntensityU() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_u", this); } - public IntColumnBuilder enterSymmetryEpsilon() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "symmetry_epsilon", this); + public FloatColumnBuilder enterIntensityNetSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_net_su", this); } - public IntColumnBuilder enterSymmetryMultiplicity() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "symmetry_multiplicity", this); + public FloatColumnBuilder enterSintOverLambda() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sint_over_lambda", this); } - public FloatColumnBuilder enterWavelength() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength", this); + public FloatColumnBuilder enterSinThetaOverLambda() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sin_theta_over_lambda", this); } - public StrColumnBuilder enterWavelengthId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_id", this); - } + } - public FloatColumnBuilder enterFMeasSigma() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_meas_sigma", this); - } + public static class DiffrnReflnsBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_reflns"; - public FloatColumnBuilder enterFMeasSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_meas_su", this); + public DiffrnReflnsBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterFSquaredSigma() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_squared_sigma", this); + public FloatColumnBuilder enterAvREquivalents() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_r_equivalents", this); } - public FloatColumnBuilder enterFSquaredMeasSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_squared_meas_su", this); + public FloatColumnBuilder enterLaueMeasuredFractionFull() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "laue_measured_fraction_full", this); } - public StrColumnBuilder enterObservedStatus() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "observed_status", this); + public FloatColumnBuilder enterLaueMeasuredFractionMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "laue_measured_fraction_max", this); } - public StrColumnBuilder enterStatus() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "status", this); + public IntColumnBuilder enterLimitHMax() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_h_max", this); } - public StrColumnBuilder enterIncludeStatus() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "include_status", this); + public IntColumnBuilder enterLimitHMin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_h_min", this); } - public FloatColumnBuilder enterIntensitySigma() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_sigma", this); + public IntColumnBuilder enterLimitKMax() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_k_max", this); } - public FloatColumnBuilder enterIntensityMeasSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_meas_su", this); + public IntColumnBuilder enterLimitKMin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_k_min", this); } - public FloatColumnBuilder enterSintOverLambda() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sint_over_lambda", this); + public IntColumnBuilder enterLimitLMax() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_l_max", this); } - public FloatColumnBuilder enterSinThetaOverLambda() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sin_theta_over_lambda", this); + public IntColumnBuilder enterLimitLMin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_l_min", this); } - } - - public static class ReflnsBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "reflns"; - - public ReflnsBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public IntColumnBuilder enterLimitMax() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_max", this); } - public StrColumnBuilder enterApplyDispersionToFcalc() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "apply_dispersion_to_Fcalc", this); + public IntColumnBuilder enterLimitMin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_min", this); } - public FloatColumnBuilder enterDResolutionHigh() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_resolution_high", this); + public IntColumnBuilder enterNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number", this); } - public FloatColumnBuilder enterDResolutionLow() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_resolution_low", this); + public FloatColumnBuilder enterPointMeasuredFractionFull() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "point_measured_fraction_full", this); } - public FloatColumnBuilder enterFriedelCoverage() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Friedel_coverage", this); + public FloatColumnBuilder enterPointMeasuredFractionMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "point_measured_fraction_max", this); } - public FloatColumnBuilder enterFriedelFractionFull() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Friedel_fraction_full", this); + public StrColumnBuilder enterReductionProcess() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reduction_process", this); } - public FloatColumnBuilder enterFriedelFractionMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Friedel_fraction_max", this); + public FloatColumnBuilder enterResolutionFull() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "resolution_full", this); } - public IntColumnBuilder enterLimitHMax() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_h_max", this); + public FloatColumnBuilder enterResolutionMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "resolution_max", this); } - public IntColumnBuilder enterLimitHMin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_h_min", this); + public FloatColumnBuilder enterThetaFull() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_full", this); } - public IntColumnBuilder enterLimitKMax() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_k_max", this); + public FloatColumnBuilder enterThetaMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_max", this); } - public IntColumnBuilder enterLimitKMin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_k_min", this); + public FloatColumnBuilder enterThetaMin() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_min", this); } - public IntColumnBuilder enterLimitLMax() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_l_max", this); + public FloatColumnBuilder enterAvUnetI_netI() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_unetI/netI", this); } - public IntColumnBuilder enterLimitLMin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_l_min", this); + public FloatColumnBuilder enterAvSigmaIOverNetI() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_sigmaI_over_netI", this); } - public FloatColumnBuilder enterLimitMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "limit_max", this); + public FloatColumnBuilder enterAvSunetiOverNeti() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_suneti_over_neti", this); } - public IntColumnBuilder enterNumberObs() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_obs", this); + public FloatColumnBuilder enterTransfMatrix11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[1][1]", this); } - public IntColumnBuilder enterNumberGt() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_gt", this); + public FloatColumnBuilder enter_11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "11", this); } - public IntColumnBuilder enterNumberAll() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_all", this); + public FloatColumnBuilder enterTransfMatrix12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[1][2]", this); } - public IntColumnBuilder enterNumberTotal() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_total", this); + public FloatColumnBuilder enter_12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "12", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterTransfMatrix13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[1][3]", this); } - public StrColumnBuilder enterSpecialDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); + public FloatColumnBuilder enter_13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "13", this); } - public StrColumnBuilder enterObservedCriterion() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "observed_criterion", this); + public FloatColumnBuilder enterTransfMatrix21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[2][1]", this); } - public StrColumnBuilder enterThresholdExpression() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "threshold_expression", this); + public FloatColumnBuilder enter_21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "21", this); + } + + public FloatColumnBuilder enterTransfMatrix22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[2][2]", this); + } + + public FloatColumnBuilder enter_22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "22", this); + } + + public FloatColumnBuilder enterTransfMatrix23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[2][3]", this); + } + + public FloatColumnBuilder enter_23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "23", this); + } + + public FloatColumnBuilder enterTransfMatrix31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[3][1]", this); + } + + public FloatColumnBuilder enter_31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "31", this); + } + + public FloatColumnBuilder enterTransfMatrix32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[3][2]", this); + } + + public FloatColumnBuilder enter_32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "32", this); + } + + public FloatColumnBuilder enterTransfMatrix33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transf_matrix[3][3]", this); + } + + public FloatColumnBuilder enter_33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "33", this); } } - public static class ReflnsClassBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "reflns_class"; + public static class DiffrnReflnsClassBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_reflns_class"; - public ReflnsClassBuilder(CifCoreBlockBuilder parent) { + public DiffrnReflnsClassBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterCode() { + public FloatColumnBuilder enterAvREq() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_r_eq", this); + } + + public StrColumnBuilder enterCode() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); } - public FloatColumnBuilder enterDResHigh() { + public FloatColumnBuilder enterDResHigh() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_high", this); } - public FloatColumnBuilder enterDResLow() { + public FloatColumnBuilder enterDResLow() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_low", this); } - public StrColumnBuilder enterDescription() { + public StrColumnBuilder enterDescription() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); } - public IntColumnBuilder enterNumberGt() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_gt", this); + public IntColumnBuilder enterNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number", this); } - public IntColumnBuilder enterNumberTotal() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_total", this); + public FloatColumnBuilder enterAvUI_I() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_uI/I", this); } - public FloatColumnBuilder enterRFactorAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_all", this); + public FloatColumnBuilder enterAvSgI_I() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_sgI/I", this); } - public FloatColumnBuilder enterRFactorGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_gt", this); + public FloatColumnBuilder enterAvSuiOverI() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "av_sui_over_i", this); } - public FloatColumnBuilder enterRFsqdFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_Fsqd_factor", this); + } + + public static class DiffrnReflnsTransfMatrixBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_reflns_transf_matrix"; + + public DiffrnReflnsTransfMatrixBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterRIFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_I_factor", this); + public FloatColumnBuilder enterTij() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tij", this); } - public FloatColumnBuilder enterWRFactorAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wR_factor_all", this); + public FloatColumnBuilder enter_11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "11", this); + } + + public FloatColumnBuilder enter_12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "12", this); + } + + public FloatColumnBuilder enter_13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "13", this); + } + + public FloatColumnBuilder enter_21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "21", this); + } + + public FloatColumnBuilder enter_22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "22", this); + } + + public FloatColumnBuilder enter_23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "23", this); + } + + public FloatColumnBuilder enter_31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "31", this); + } + + public FloatColumnBuilder enter_32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "32", this); + } + + public FloatColumnBuilder enter_33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "33", this); } } - public static class ReflnsScaleBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "reflns_scale"; + public static class DiffrnScaleGroupBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_scale_group"; - public ReflnsScaleBuilder(CifCoreBlockBuilder parent) { + public DiffrnScaleGroupBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterGroupCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_code", this); + public StrColumnBuilder enterCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); } - public FloatColumnBuilder enterMeasF() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_F", this); + public FloatColumnBuilder enterINet() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "i_net", this); } - public FloatColumnBuilder enterMeasFSquared() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_F_squared", this); + public FloatColumnBuilder enterINetSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "i_net_su", this); } - public FloatColumnBuilder enterMeasIntensity() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_intensity", this); + } + + public static class DiffrnSourceBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_source"; + + public DiffrnSourceBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterBeamline() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "beamline", this); + } + + public FloatColumnBuilder enterConvergenceAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "convergence_angle", this); + } + + public FloatColumnBuilder enterCurrent() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "current", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public StrColumnBuilder enterDevice() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "device", this); + } + + public StrColumnBuilder enterEdDiffractingAreaSelection() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ed_diffracting_area_selection", this); + } + + public StrColumnBuilder enterFacility() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "facility", this); + } + + public FloatColumnBuilder enterPower() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "power", this); + } + + public StrColumnBuilder enterSize() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "size", this); + } + + public StrColumnBuilder enterTarget() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target", this); + } + + public FloatColumnBuilder enterVoltage() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "voltage", this); + } + + public StrColumnBuilder enterSource() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "source", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + } + + public StrColumnBuilder enterMake() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "make", this); + } + + public FloatColumnBuilder enterTake_offAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "take-off_angle", this); + } + + public FloatColumnBuilder enterTakeOffAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "take_off_angle", this); } } - public static class ReflnsShellBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "reflns_shell"; + public static class DiffrnStandardsBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_standards"; - public ReflnsShellBuilder(CifCoreBlockBuilder parent) { + public DiffrnStandardsBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterDResHigh() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_high", this); + public FloatColumnBuilder enterDecayPercentSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "decay_percent_su", this); } - public FloatColumnBuilder enterDResLimits() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_limits", this); + public IntColumnBuilder enterIntervalCount() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "interval_count", this); } - public FloatColumnBuilder enterDResLow() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_low", this); + public FloatColumnBuilder enterIntervalTime() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "interval_time", this); } - public IntColumnBuilder enterNumberMeasuredAll() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_measured_all", this); + public IntColumnBuilder enterNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number", this); } - public IntColumnBuilder enterNumberUniqueAll() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_unique_all", this); + public FloatColumnBuilder enterScaleSuAverageSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_su_average_su", this); } - public FloatColumnBuilder enterPercentPossibleAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_all", this); + public FloatColumnBuilder enterDecay() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "decay_%", this); } - public FloatColumnBuilder enterRmergeFAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_F_all", this); + public FloatColumnBuilder enterDecayPercent() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "decay_percent", this); } - public FloatColumnBuilder enterRmergeIAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_I_all", this); + public FloatColumnBuilder enterScaleSigma() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_sigma", this); } - public FloatColumnBuilder enterMeanIOverSigIAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_sigI_all", this); + public FloatColumnBuilder enterScaleU() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_u", this); } - public FloatColumnBuilder enterMeanIOverUIAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_uI_all", this); + public FloatColumnBuilder enterScaleSuAverage() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_su_average", this); + } + + } + + public static class DiffrnStandardReflnBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_standard_refln"; + + public DiffrnStandardReflnBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterMeanIOverSuIAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_suI_all", this); + public IntColumnBuilder enterHkl() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); } - public FloatColumnBuilder enterMeanIOverSigIObs() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_sigI_obs", this); + public IntColumnBuilder enterIndexH() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); } - public FloatColumnBuilder enterMeanIOverSigIGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_sigI_gt", this); + public IntColumnBuilder enterIndexK() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); } - public FloatColumnBuilder enterMeanIOverUIGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_uI_gt", this); + public IntColumnBuilder enterIndexL() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); + } + + public StrColumnBuilder enterDiffrnId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "diffrn_id", this); + } + + public StrColumnBuilder enterCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); + } + + } + + public static class ReflnBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "refln"; + + public ReflnBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public FloatColumnBuilder enterACalc() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "a_calc", this); + } + + public FloatColumnBuilder enterACalcSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "a_calc_su", this); + } + + public FloatColumnBuilder enterAMeas() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "a_meas", this); + } + + public FloatColumnBuilder enterAMeasSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "a_meas_su", this); + } + + public FloatColumnBuilder enterBCalc() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_calc", this); + } + + public FloatColumnBuilder enterBCalcSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_calc_su", this); + } + + public FloatColumnBuilder enterBMeas() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_meas", this); } - public FloatColumnBuilder enterMeanIOverSuIGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_suI_gt", this); + public FloatColumnBuilder enterBMeasSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_meas_su", this); + } + + public StrColumnBuilder enterClassCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "class_code", this); + } + + public FloatColumnBuilder enterDSpacing() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_spacing", this); + } + + public FloatColumnBuilder enterFCalc() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_calc", this); + } + + public FloatColumnBuilder enterFCalcSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_calc_su", this); + } + + public StrColumnBuilder enterFComplex() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "f_complex", this); + } + + public StrColumnBuilder enterFComplexSu() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "f_complex_su", this); + } + + public FloatColumnBuilder enterFMeas() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_meas", this); + } + + public FloatColumnBuilder enterFSquaredCalc() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_squared_calc", this); + } + + public FloatColumnBuilder enterFSquaredCalcSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_squared_calc_su", this); + } + + public FloatColumnBuilder enterFSquaredMeas() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_squared_meas", this); + } + + public FloatColumnBuilder enterFom() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fom", this); + } + + public FloatColumnBuilder enterFormFactorTable() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "form_factor_table", this); + } + + public IntColumnBuilder enterHkl() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterIndexH() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); + } + + public IntColumnBuilder enterIndexK() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); + } + + public IntColumnBuilder enterIndexL() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); + } + + public FloatColumnBuilder enterIntensityCalc() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_calc", this); + } + + public FloatColumnBuilder enterIntensityCalcSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_calc_su", this); + } + + public FloatColumnBuilder enterIntensityMeas() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_meas", this); + } + + public FloatColumnBuilder enterLpFactor() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "lp_factor", this); + } + + public FloatColumnBuilder enterMeanPathLengthTbar() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_path_length_tbar", this); + } + + public FloatColumnBuilder enterPhaseCalc() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "phase_calc", this); + } + + public FloatColumnBuilder enterPhaseCalcSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "phase_calc_su", this); + } + + public FloatColumnBuilder enterPhaseMeas() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "phase_meas", this); + } + + public FloatColumnBuilder enterPhaseMeasSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "phase_meas_su", this); + } + + public StrColumnBuilder enterRefinementStatus() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "refinement_status", this); + } + + public StrColumnBuilder enterScaleGroupCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scale_group_code", this); + } + + public IntColumnBuilder enterSymmetryEpsilon() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "symmetry_epsilon", this); + } + + public IntColumnBuilder enterSymmetryMultiplicity() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "symmetry_multiplicity", this); + } + + public FloatColumnBuilder enterWavelength() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength", this); } - public IntColumnBuilder enterNumberMeasuredObs() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_measured_obs", this); + public StrColumnBuilder enterWavelengthId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_id", this); } - public IntColumnBuilder enterNumberMeasuredGt() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_measured_gt", this); + public FloatColumnBuilder enterFMeasSigma() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_meas_sigma", this); } - public IntColumnBuilder enterNumberPossibleAll() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_possible_all", this); + public FloatColumnBuilder enterFMeasSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_meas_su", this); } - public IntColumnBuilder enterNumberPossible() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_possible", this); + public FloatColumnBuilder enterFSquaredSigma() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_squared_sigma", this); } - public IntColumnBuilder enterNumberUniqueObs() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_unique_obs", this); + public FloatColumnBuilder enterFSquaredMeasSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_squared_meas_su", this); } - public IntColumnBuilder enterNumberUniqueGt() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_unique_gt", this); + public StrColumnBuilder enterObservedStatus() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "observed_status", this); } - public FloatColumnBuilder enterPercentPossibleObs() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_obs", this); + public StrColumnBuilder enterStatus() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "status", this); } - public FloatColumnBuilder enterPercentPossibleGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_gt", this); + public StrColumnBuilder enterIncludeStatus() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "include_status", this); } - public FloatColumnBuilder enterRmergeFObs() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_F_obs", this); + public FloatColumnBuilder enterIntensitySigma() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_sigma", this); } - public FloatColumnBuilder enterRmergeFGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_F_gt", this); + public FloatColumnBuilder enterIntensityMeasSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "intensity_meas_su", this); } - public FloatColumnBuilder enterRmergeIObs() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_I_obs", this); + public FloatColumnBuilder enterSintOverLambda() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sint_over_lambda", this); } - public FloatColumnBuilder enterRmergeIGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_I_gt", this); + public FloatColumnBuilder enterSinThetaOverLambda() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sin_theta_over_lambda", this); } } - public static class ExptlBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "exptl"; + public static class ReflnsBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "reflns"; - public ExptlBuilder(CifCoreBlockBuilder parent) { + public ReflnsBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterCrystalsNumber() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "crystals_number", this); + public StrColumnBuilder enterApplyDispersionToFcalc() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "apply_dispersion_to_fcalc", this); } - public StrColumnBuilder enterMethod() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method", this); + public FloatColumnBuilder enterDResolutionHigh() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_resolution_high", this); } - public StrColumnBuilder enterMethodDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method_details", this); + public FloatColumnBuilder enterDResolutionLow() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_resolution_low", this); } - public FloatColumnBuilder enterTransmissionFactorMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transmission_factor_max", this); + public FloatColumnBuilder enterFriedelCoverage() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "friedel_coverage", this); } - public FloatColumnBuilder enterTransmissionFactorMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transmission_factor_min", this); + public FloatColumnBuilder enterFriedelFractionFull() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "friedel_fraction_full", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterFriedelFractionMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "friedel_fraction_max", this); } - public StrColumnBuilder enterSpecialDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); + public IntColumnBuilder enterLimitHMax() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_h_max", this); } - public FloatColumnBuilder enterAbsorptCoefficientMu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_coefficient_mu", this); + public IntColumnBuilder enterLimitHMin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_h_min", this); } - public FloatColumnBuilder enterCoefficientMu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "coefficient_mu", this); + public IntColumnBuilder enterLimitKMax() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_k_max", this); } - public FloatColumnBuilder enterAbsorptCorrectionTMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_correction_T_max", this); + public IntColumnBuilder enterLimitKMin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_k_min", this); } - public FloatColumnBuilder enterCorrectionTMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correction_T_max", this); + public IntColumnBuilder enterLimitLMax() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_l_max", this); } - public FloatColumnBuilder enterAbsorptCorrectionTMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_correction_T_min", this); + public IntColumnBuilder enterLimitLMin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_l_min", this); } - public FloatColumnBuilder enterCorrectionTMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correction_T_min", this); + public FloatColumnBuilder enterLimitMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "limit_max", this); } - public StrColumnBuilder enterAbsorptCorrectionType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_correction_type", this); + public IntColumnBuilder enterLimitMin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "limit_min", this); } - public StrColumnBuilder enterCorrectionType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "correction_type", this); + public IntColumnBuilder enterNumberObs() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_obs", this); } - public StrColumnBuilder enterAbsorptProcessDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_process_details", this); + public IntColumnBuilder enterNumberGt() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_gt", this); } - public StrColumnBuilder enterProcessDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "process_details", this); + public IntColumnBuilder enterNumberAll() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_all", this); } - } - - public static class CellBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "cell"; - - public CellBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public IntColumnBuilder enterNumberTotal() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_total", this); } - public FloatColumnBuilder enterAtomicMass() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "atomic_mass", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public IntColumnBuilder enterFormulaUnitsZ() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "formula_units_Z", this); + public StrColumnBuilder enterSpecialDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); } - public FloatColumnBuilder enterMetricTensor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "metric_tensor", this); + public StrColumnBuilder enterObservedCriterion() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "observed_criterion", this); } - public FloatColumnBuilder enterOrthogonalMatrix() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "orthogonal_matrix", this); + public StrColumnBuilder enterThresholdExpression() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "threshold_expression", this); } - public FloatColumnBuilder enterVolume() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "volume", this); - } + } - public FloatColumnBuilder enterAngleAlpha() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_alpha", this); - } + public static class ReflnsClassBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "reflns_class"; - public FloatColumnBuilder enterAngleBeta() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_beta", this); + public ReflnsClassBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterAngleGamma() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_gamma", this); + public StrColumnBuilder enterCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code", this); } - public FloatColumnBuilder enterLengthA() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_a", this); + public FloatColumnBuilder enterDResHigh() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_high", this); } - public FloatColumnBuilder enterLengthB() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_b", this); + public FloatColumnBuilder enterDResLow() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_low", this); } - public FloatColumnBuilder enterLengthC() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_c", this); + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); } - public FloatColumnBuilder enterConvertUijToBetaij() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "convert_Uij_to_betaij", this); + public IntColumnBuilder enterNumberGt() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_gt", this); } - public FloatColumnBuilder enterConvertUisoToUij() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "convert_Uiso_to_Uij", this); + public IntColumnBuilder enterNumberTotal() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_total", this); } - public FloatColumnBuilder enterReciprocalMetricTensor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_metric_tensor", this); + public FloatColumnBuilder enterRFactorAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_factor_all", this); } - public FloatColumnBuilder enterReciprocalOrthogonalMatrix() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_orthogonal_matrix", this); + public FloatColumnBuilder enterRFactorGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_factor_gt", this); } - public FloatColumnBuilder enterReciprocalAngleAlpha() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_alpha", this); + public FloatColumnBuilder enterRFsqdFactor() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_fsqd_factor", this); } - public FloatColumnBuilder enterReciprocalAngleBeta() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_beta", this); + public FloatColumnBuilder enterRIFactor() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_i_factor", this); } - public FloatColumnBuilder enterReciprocalAngleGamma() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_gamma", this); + public FloatColumnBuilder enterWrFactorAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wr_factor_all", this); } - public FloatColumnBuilder enterReciprocalLengthA() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_a", this); - } + } - public FloatColumnBuilder enterReciprocalLengthB() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_b", this); - } + public static class ReflnsScaleBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "reflns_scale"; - public FloatColumnBuilder enterReciprocalLengthC() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_c", this); + public ReflnsScaleBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterReciprocalVectorA() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_a", this); + public StrColumnBuilder enterGroupCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_code", this); } - public FloatColumnBuilder enterReciprocalVectorB() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_b", this); + public FloatColumnBuilder enterMeasF() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_f", this); } - public FloatColumnBuilder enterReciprocalVectorC() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_vector_c", this); + public FloatColumnBuilder enterMeasFSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_f_su", this); } - public FloatColumnBuilder enterVectorA() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_a", this); + public FloatColumnBuilder enterMeasFSquared() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_f_squared", this); } - public FloatColumnBuilder enterVectorB() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_b", this); + public FloatColumnBuilder enterMeasFSquaredSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_f_squared_su", this); } - public FloatColumnBuilder enterVectorC() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_c", this); + public FloatColumnBuilder enterMeasIntensity() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_intensity", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterMeasIntensitySu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meas_intensity_su", this); } - public StrColumnBuilder enterSpecialDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); - } + } - public FloatColumnBuilder enterVolumeEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "volume_esd", this); + public static class ReflnsShellBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "reflns_shell"; + + public ReflnsShellBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterVolumeSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "volume_su", this); + public FloatColumnBuilder enterDResHigh() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_high", this); } - public FloatColumnBuilder enterAngleAlphaEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_alpha_esd", this); + public FloatColumnBuilder enterDResLimits() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_limits", this); } - public FloatColumnBuilder enterAngleAlphaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_alpha_su", this); + public FloatColumnBuilder enterDResLow() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "d_res_low", this); } - public FloatColumnBuilder enterBetaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_su", this); + public IntColumnBuilder enterNumberMeasuredAll() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_measured_all", this); } - public FloatColumnBuilder enterAngleBetaEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_beta_esd", this); + public IntColumnBuilder enterNumberUniqueAll() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_unique_all", this); } - public FloatColumnBuilder enterAngleBetaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_beta_su", this); + public FloatColumnBuilder enterPercentPossibleAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_all", this); } - public FloatColumnBuilder enterGammaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "gamma_su", this); + public FloatColumnBuilder enterRmergeFAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rmerge_f_all", this); } - public FloatColumnBuilder enterAngleGammaEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_gamma_esd", this); + public FloatColumnBuilder enterRmergeIAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rmerge_i_all", this); } - public FloatColumnBuilder enterAngleGammaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_gamma_su", this); + public FloatColumnBuilder enterMeanIOverSigIAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_sigI_all", this); } - public FloatColumnBuilder enterLengthAEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_a_esd", this); + public FloatColumnBuilder enterMeanIOverUIAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_uI_all", this); } - public FloatColumnBuilder enterLengthASu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_a_su", this); + public FloatColumnBuilder enterMeaniOverSuiAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meani_over_sui_all", this); } - public FloatColumnBuilder enterLengthBEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_b_esd", this); + public FloatColumnBuilder enterMeanIOverSigIObs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_sigI_obs", this); } - public FloatColumnBuilder enterLengthBSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_b_su", this); + public FloatColumnBuilder enterMeanIOverSigIGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_sigI_gt", this); } - public FloatColumnBuilder enterLengthCEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_c_esd", this); + public FloatColumnBuilder enterMeanIOverUIGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_uI_gt", this); } - public FloatColumnBuilder enterLengthCSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_c_su", this); + public FloatColumnBuilder enterMeaniOverSuiGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meani_over_sui_gt", this); } - public FloatColumnBuilder enterReciprocalAngleAlphaEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_alpha_esd", this); + public IntColumnBuilder enterNumberMeasuredObs() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_measured_obs", this); } - public FloatColumnBuilder enterReciprocalAngleAlphaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_alpha_su", this); + public IntColumnBuilder enterNumberMeasuredGt() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_measured_gt", this); } - public FloatColumnBuilder enterReciprocalAngleBetaEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_beta_esd", this); + public IntColumnBuilder enterNumberPossibleAll() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_possible_all", this); } - public FloatColumnBuilder enterReciprocalAngleBetaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_beta_su", this); + public IntColumnBuilder enterNumberPossible() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_possible", this); } - public FloatColumnBuilder enterReciprocalAngleGammaEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_gamma_esd", this); + public IntColumnBuilder enterNumberUniqueObs() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_unique_obs", this); } - public FloatColumnBuilder enterReciprocalAngleGammaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_angle_gamma_su", this); + public IntColumnBuilder enterNumberUniqueGt() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_unique_gt", this); } - public FloatColumnBuilder enterReciprocalLengthAEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_a_esd", this); + public FloatColumnBuilder enterPercentPossibleObs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_obs", this); } - public FloatColumnBuilder enterReciprocalLengthASu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_a_su", this); + public FloatColumnBuilder enterPercentPossibleGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_gt", this); } - public FloatColumnBuilder enterReciprocalLengthBEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_b_esd", this); + public FloatColumnBuilder enterRmergeFObs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_F_obs", this); } - public FloatColumnBuilder enterReciprocalLengthBSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_b_su", this); + public FloatColumnBuilder enterRmergeFGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rmerge_f_gt", this); } - public FloatColumnBuilder enterReciprocalLengthCEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_c_esd", this); + public FloatColumnBuilder enterRmergeIObs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_I_obs", this); } - public FloatColumnBuilder enterReciprocalLengthCSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reciprocal_length_c_su", this); + public FloatColumnBuilder enterRmergeIGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rmerge_i_gt", this); } } - public static class CellMeasurementBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "cell_measurement"; + public static class ExptlBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "exptl"; - public CellMeasurementBuilder(CifCoreBlockBuilder parent) { + public ExptlBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterPressure() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pressure", this); + public IntColumnBuilder enterCrystalsNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "crystals_number", this); } - public StrColumnBuilder enterRadiation() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "radiation", this); + public StrColumnBuilder enterMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method", this); } - public IntColumnBuilder enterReflnsUsed() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "reflns_used", this); + public StrColumnBuilder enterMethodDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method_details", this); } - public FloatColumnBuilder enterThetaMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_max", this); + public FloatColumnBuilder enterTransmissionFactorMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transmission_factor_max", this); } - public FloatColumnBuilder enterThetaMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta_min", this); + public FloatColumnBuilder enterTransmissionFactorMaxSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transmission_factor_max_su", this); } - public FloatColumnBuilder enterWavelength() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wavelength", this); + public FloatColumnBuilder enterTransmissionFactorMin() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transmission_factor_min", this); } - public FloatColumnBuilder enterPressureEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pressure_esd", this); + public FloatColumnBuilder enterTransmissionFactorMinSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transmission_factor_min_su", this); } - public FloatColumnBuilder enterPressureSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pressure_su", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public FloatColumnBuilder enterTemp() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temp", this); + public StrColumnBuilder enterSpecialDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); } - public FloatColumnBuilder enterTemperature() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temperature", this); + public FloatColumnBuilder enterAbsorptCoefficientMu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_coefficient_mu", this); } - public FloatColumnBuilder enterTempEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temp_esd", this); + public FloatColumnBuilder enterCoefficientMu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "coefficient_mu", this); } - public FloatColumnBuilder enterTemperatureSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temperature_su", this); + public FloatColumnBuilder enterAbsorptCorrectionTMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_correction_T_max", this); } - } - - public static class CellMeasurementReflnBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "cell_measurement_refln"; + public FloatColumnBuilder enterCorrectionTMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correction_t_max", this); + } - public CellMeasurementReflnBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterAbsorptCorrectionTMin() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_correction_T_min", this); } - public IntColumnBuilder enterHkl() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); + public FloatColumnBuilder enterCorrectionTMin() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correction_t_min", this); } - public IntColumnBuilder enterIndexH() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_h", this); + public StrColumnBuilder enterAbsorptCorrectionType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_correction_type", this); } - public IntColumnBuilder enterIndexK() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_k", this); + public StrColumnBuilder enterCorrectionType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "correction_type", this); } - public IntColumnBuilder enterIndexL() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index_l", this); + public StrColumnBuilder enterAbsorptProcessDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "absorpt_process_details", this); } - public FloatColumnBuilder enterTheta() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "theta", this); + public StrColumnBuilder enterProcessDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "process_details", this); } } @@ -1974,6 +2252,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "enantioexcess_bulk", this); } + public FloatColumnBuilder enterEnantioexcessBulkSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "enantioexcess_bulk_su", this); + } + public StrColumnBuilder enterEnantioexcessBulkTechnique() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "enantioexcess_bulk_technique", this); } @@ -1982,6 +2264,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "enantioexcess_crystal", this); } + public FloatColumnBuilder enterEnantioexcessCrystalSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "enantioexcess_crystal_su", this); + } + public StrColumnBuilder enterEnantioexcessCrystalTechnique() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "enantioexcess_crystal_technique", this); } @@ -2002,6 +2288,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "melting_point", this); } + public FloatColumnBuilder enterMeltingPointSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "melting_point_su", this); + } + public FloatColumnBuilder enterMeltingPointGt() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "melting_point_gt", this); } @@ -2099,12 +2389,12 @@ public FloatColumnBuilder(CATEGORY_NAME, "display_y", this); } - public IntColumnBuilder enterNCA() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "NCA", this); + public IntColumnBuilder enterNca() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "nca", this); } - public IntColumnBuilder enterNH() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "NH", this); + public IntColumnBuilder enterNh() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "nh", this); } public IntColumnBuilder enterNumber() { @@ -2181,6 +2471,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "weight_meas", this); } + public FloatColumnBuilder enterWeightMeasSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "weight_meas_su", this); + } + } public static class ExptlAbsorptBuilder extends CifCoreCategoryBuilder { @@ -2190,16 +2484,24 @@ public ExptlAbsorptBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public FloatColumnBuilder enterCoefficientMuSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "coefficient_mu_su", this); + } + + public StrColumnBuilder enterSpecialDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); + } + public FloatColumnBuilder enterCoefficientMu() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "coefficient_mu", this); } public FloatColumnBuilder enterCorrectionTMax() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correction_T_max", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correction_t_max", this); } public FloatColumnBuilder enterCorrectionTMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correction_T_min", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correction_t_min", this); } public StrColumnBuilder enterCorrectionType() { @@ -2227,6 +2529,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "density_diffrn", this); } + public FloatColumnBuilder enterDensityDiffrnSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "density_diffrn_su", this); + } + public FloatColumnBuilder enterDensityMeas() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "density_meas", this); } @@ -2260,13 +2566,33 @@ public StrColumnBuilder enterF000() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_000", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_000", this); } public StrColumnBuilder enterId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } + public FloatColumnBuilder enterMosaicBlockSize() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mosaic_block_size", this); + } + + public FloatColumnBuilder enterMosaicBlockSizeSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mosaic_block_size_su", this); + } + + public StrColumnBuilder enterMosaicMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mosaic_method", this); + } + + public FloatColumnBuilder enterMosaicity() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mosaicity", this); + } + + public FloatColumnBuilder enterMosaicitySu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mosaicity_su", this); + } + public StrColumnBuilder enterPreparation() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "preparation", this); } @@ -2283,22 +2609,42 @@ public FloatColumnBuilder(CATEGORY_NAME, "size_length", this); } + public FloatColumnBuilder enterSizeLengthSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_length_su", this); + } + public FloatColumnBuilder enterSizeMax() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_max", this); } + public FloatColumnBuilder enterSizeMaxSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_max_su", this); + } + public FloatColumnBuilder enterSizeMid() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_mid", this); } + public FloatColumnBuilder enterSizeMidSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_mid_su", this); + } + public FloatColumnBuilder enterSizeMin() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_min", this); } + public FloatColumnBuilder enterSizeMinSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_min_su", this); + } + public FloatColumnBuilder enterSizeRad() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_rad", this); } + public FloatColumnBuilder enterSizeRadSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "size_rad_su", this); + } + public StrColumnBuilder enterThermalHistory() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "thermal_history", this); } @@ -2377,18 +2723,34 @@ public FloatColumnBuilder(CATEGORY_NAME, "diffr_chi", this); } + public FloatColumnBuilder enterDiffrChiSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diffr_chi_su", this); + } + public FloatColumnBuilder enterDiffrKappa() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diffr_kappa", this); } + public FloatColumnBuilder enterDiffrKappaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diffr_kappa_su", this); + } + public FloatColumnBuilder enterDiffrPhi() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diffr_phi", this); } + public FloatColumnBuilder enterDiffrPhiSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diffr_phi_su", this); + } + public FloatColumnBuilder enterDiffrPsi() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diffr_psi", this); } + public FloatColumnBuilder enterDiffrPsiSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diffr_psi_su", this); + } + public IntColumnBuilder enterHkl() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "hkl", this); } @@ -2409,6 +2771,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "perp_dist", this); } + public FloatColumnBuilder enterPerpDistSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "perp_dist_su", this); + } + } public static class SpaceGroupBuilder extends CifCoreCategoryBuilder { @@ -2419,7 +2785,7 @@ public SpaceGroupBuilder(CifCoreBlockBuilder parent) { } public StrColumnBuilder enterBravaisType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "Bravais_type", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "bravais_type", this); } public StrColumnBuilder enterCentringType() { @@ -2430,52 +2796,77 @@ public StrColumnBuilder(CATEGORY_NAME, "crystal_system", this); } - public StrColumnBuilder enterITCoordinateSystemCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "IT_coordinate_system_code", this); + public StrColumnBuilder enterItCoordinateSystemCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "it_coordinate_system_code", this); } public StrColumnBuilder enterLaueClass() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "Laue_class", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "laue_class", this); } public IntColumnBuilder enterMultiplicity() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "multiplicity", this); } - public StrColumnBuilder enterNameH_MAlt() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_H-M_alt", this); + public StrColumnBuilder enterNameH_mAlt() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_h-m_alt", this); } - public StrColumnBuilder enterNameH_MRef() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_H-M_ref", this); + public StrColumnBuilder enterNameH_mAltDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_h-m_alt_description", this); } - public StrColumnBuilder enterNameH_MAltDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_H-M_alt_description", this); + public StrColumnBuilder enterNameH_mRef() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_h-m_ref", this); } public StrColumnBuilder enterNameSchoenflies() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_Schoenflies", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_schoenflies", this); + } + + public StrColumnBuilder enterPattersonNameH_m() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "patterson_name_h-m", this); } - public StrColumnBuilder enterPattersonNameH_M() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "Patterson_name_H-M", this); + public StrColumnBuilder enterPointGroupH_m() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "point_group_h-m", this); } - public StrColumnBuilder enterPointGroupH_M() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "point_group_H-M", this); + public IntColumnBuilder enterItNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "it_number", this); } - public IntColumnBuilder enterITNumber() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "IT_number", this); + public StrColumnBuilder enterNameH_mFull() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_h-m_full", this); } public StrColumnBuilder enterNameHall() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_Hall", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_hall", this); + } + + } + + public static class SymmetryBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "symmetry"; + + public SymmetryBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterCellSetting() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cell_setting", this); + } + + public IntColumnBuilder enterIntTablesNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "Int_Tables_number", this); + } + + public StrColumnBuilder enterSpaceGroupNameH_M() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "space_group_name_H-M", this); } - public StrColumnBuilder enterNameH_MFull() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name_H-M_full", this); + public StrColumnBuilder enterSpaceGroupNameHall() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "space_group_name_Hall", this); } } @@ -2487,8 +2878,8 @@ public SpaceGroupGeneratorBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterKey() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "key", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } public StrColumnBuilder enterXyz() { @@ -2509,19 +2900,19 @@ public StrColumnBuilder enterR() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r", this); } - public FloatColumnBuilder enterRT() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "RT", this); + public FloatColumnBuilder enterRt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rt", this); } public FloatColumnBuilder enterSeitzMatrix() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Seitz_matrix", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "seitz_matrix", this); } public FloatColumnBuilder enterT() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "T", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "t", this); } public IntColumnBuilder enterId() { @@ -2535,79 +2926,32 @@ public StrColumnBuilder enterCoordsXyz() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "coords_xyz", this); - } - - public StrColumnBuilder enterId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); - } - - public StrColumnBuilder enterLetter() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "letter", this); - } - - public IntColumnBuilder enterMultiplicity() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "multiplicity", this); - } - - public StrColumnBuilder enterSiteSymmetry() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "site_symmetry", this); - } - - } - - public static class FunctionBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "function"; - - public FunctionBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); - } - - public StrColumnBuilder enterAtomType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "AtomType", this); - } - - public FloatColumnBuilder enterClosest() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Closest", this); - } + private static final String CATEGORY_NAME = "space_group_wyckoff"; - public FloatColumnBuilder enterSeitzFromJones() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "SeitzFromJones", this); + public SpaceGroupWyckoffBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterSymEquiv() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "SymEquiv", this); + public StrColumnBuilder enterCoordsXyz() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "coords_xyz", this); } - public IntColumnBuilder enterSymKey() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "SymKey", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterSymLat() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "SymLat", this); + public StrColumnBuilder enterLetter() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "letter", this); } - public StrColumnBuilder enterSymop() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "Symop", this); + public IntColumnBuilder enterMultiplicity() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "multiplicity", this); } - } - - public static class ModelBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "model"; - - public ModelBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public StrColumnBuilder enterSiteSymmetry() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "site_symmetry", this); } - } public static class GeomBuilder extends CifCoreCategoryBuilder { @@ -2621,16 +2965,16 @@ public FloatColumnBuilder return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "bond_distance_incr", this); } - public FloatColumnBuilder enterBondDistanceMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "bond_distance_min", this); - } - public FloatColumnBuilder enterContactDistanceIncr() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "contact_distance_incr", this); } - public FloatColumnBuilder enterContactDistanceMin() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "contact_distance_min", this); + public FloatColumnBuilder enterMinBondDistanceCutoff() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "min_bond_distance_cutoff", this); + } + + public FloatColumnBuilder enterMinContactDistanceCutoff() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "min_contact_distance_cutoff", this); } public StrColumnBuilder enterDetails() { @@ -2654,6 +2998,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "distances", this); } + public FloatColumnBuilder enterDistancesSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distances_su", this); + } + public StrColumnBuilder enterId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } @@ -2743,6 +3091,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "valence", this); } + public FloatColumnBuilder enterValenceSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "valence_su", this); + } + public StrColumnBuilder enterAtomSiteId1() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_site_id_1", this); } @@ -2841,8 +3193,8 @@ public GeomHbondBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterAngleDHA() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_DHA", this); + public FloatColumnBuilder enterAngleDha() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_dha", this); } public StrColumnBuilder enterId() { @@ -2854,23 +3206,23 @@ public StrColumnBuilder enterSiteSymmetryA() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "site_symmetry_A", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "site_symmetry_a", this); } public StrColumnBuilder enterSiteSymmetryD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "site_symmetry_D", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "site_symmetry_d", this); } public StrColumnBuilder enterSiteSymmetryH() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "site_symmetry_H", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "site_symmetry_h", this); } public FloatColumnBuilder enterAngleDHAEsd() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_DHA_esd", this); } - public FloatColumnBuilder enterAngleDHASu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_DHA_su", this); + public FloatColumnBuilder enterAngleDhaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_dha_su", this); } public StrColumnBuilder enterAtomSiteIdA() { @@ -2878,7 +3230,7 @@ public StrColumnBuilder enterAtomSiteLabelA() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_site_label_A", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_site_label_a", this); } public StrColumnBuilder enterAtomSiteIdD() { @@ -2886,7 +3238,7 @@ public StrColumnBuilder enterAtomSiteLabelD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_site_label_D", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_site_label_d", this); } public StrColumnBuilder enterAtomSiteIdH() { @@ -2894,55 +3246,55 @@ public StrColumnBuilder enterAtomSiteLabelH() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_site_label_H", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_site_label_h", this); } public FloatColumnBuilder enterDistDA() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dist_DA", this); } - public FloatColumnBuilder enterDistanceDA() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_DA", this); + public FloatColumnBuilder enterDistanceDa() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_da", this); } public FloatColumnBuilder enterDistDAEsd() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dist_DA_esd", this); } - public FloatColumnBuilder enterDistanceDASu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_DA_su", this); + public FloatColumnBuilder enterDistanceDaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_da_su", this); } public FloatColumnBuilder enterDistDH() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dist_DH", this); } - public FloatColumnBuilder enterDistanceDH() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_DH", this); + public FloatColumnBuilder enterDistanceDh() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_dh", this); } public FloatColumnBuilder enterDistDHEsd() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dist_DH_esd", this); } - public FloatColumnBuilder enterDistanceDHSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_DH_su", this); + public FloatColumnBuilder enterDistanceDhSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_dh_su", this); } public FloatColumnBuilder enterDistHA() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dist_HA", this); } - public FloatColumnBuilder enterDistanceHA() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_HA", this); + public FloatColumnBuilder enterDistanceHa() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_ha", this); } public FloatColumnBuilder enterDistHAEsd() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dist_HA_esd", this); } - public FloatColumnBuilder enterDistanceHASu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_HA_su", this); + public FloatColumnBuilder enterDistanceHaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_ha_su", this); } } @@ -2958,6 +3310,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "distances", this); } + public FloatColumnBuilder enterDistancesSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distances_su", this); + } + public StrColumnBuilder enterId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } @@ -3039,16 +3395,36 @@ public ModelSiteBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterAdpEigenSystem() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "adp_eigen_system", this); + public FloatColumnBuilder enterAdpEigenvalues() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "adp_eigenvalues", this); + } + + public FloatColumnBuilder enterAdpEigenvaluesSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "adp_eigenvalues_su", this); + } + + public FloatColumnBuilder enterAdpEigenvectors() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "adp_eigenvectors", this); + } + + public FloatColumnBuilder enterAdpEigenvectorsSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "adp_eigenvectors_su", this); } public FloatColumnBuilder enterAdpMatrixBeta() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "adp_matrix_beta", this); } + public FloatColumnBuilder enterAdpMatrixBetaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "adp_matrix_beta_su", this); + } + public FloatColumnBuilder enterCartnXyz() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_xyz", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_xyz", this); + } + + public FloatColumnBuilder enterCartnXyzSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_xyz_su", this); } public StrColumnBuilder enterDisplayColour() { @@ -3059,6 +3435,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "fract_xyz", this); } + public FloatColumnBuilder enterFractXyzSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fract_xyz_su", this); + } + public StrColumnBuilder enterId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } @@ -3093,16 +3473,6 @@ public StrColumnBuilder enterB() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b", this); + } + + public StrColumnBuilder enterCitationId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "citation_id", this); } public StrColumnBuilder enterDetails() { @@ -3143,7 +3517,7 @@ public StrColumnBuilder enterRo() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Ro", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ro", this); } } @@ -3165,16 +3539,6 @@ public StrColumnBuilder(CATEGORY_NAME, "address", this); } + public StrColumnBuilder enterEmail() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "email", this); + } + + public StrColumnBuilder enterFax() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fax", this); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterIdOrcid() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id_orcid", this); + } + public StrColumnBuilder enterName() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } + public StrColumnBuilder enterPhone() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "phone", this); + } + + } + + public static class AuditAuthorRoleBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "audit_author_role"; + + public AuditAuthorRoleBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterRole() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "role", this); + } + + public StrColumnBuilder enterSpecialDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); + } + } public static class AuditConformBuilder extends CifCoreCategoryBuilder { @@ -3236,6 +3641,10 @@ public AuditConformBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public StrColumnBuilder enterDictDoi() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "dict_doi", this); + } + public StrColumnBuilder enterDictLocation() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "dict_location", this); } @@ -3269,6 +3678,10 @@ public StrColumnBuilder(CATEGORY_NAME, "fax", this); } + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + public StrColumnBuilder enterName() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } @@ -3296,6 +3709,47 @@ public StrColumnBuilder enterAwardNumber() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "award_number", this); + } + + public StrColumnBuilder enterAwardRecipient() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "award_recipient", this); + } + + public StrColumnBuilder enterAwardType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "award_type", this); + } + + public StrColumnBuilder enterFundingOrganization() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "funding_organization", this); + } + + public StrColumnBuilder enterFundingOrganizationDoi() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "funding_organization_doi", this); + } + + public StrColumnBuilder enterFundingOrganizationUrl() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "funding_organization_url", this); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterSpecialDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); + } + + } + public static class CitationBuilder extends CifCoreCategoryBuilder { private static final String CATEGORY_NAME = "citation"; @@ -3307,12 +3761,12 @@ public StrColumnBuilder(CATEGORY_NAME, "abstract", this); } - public StrColumnBuilder enterAbstractIdCAS() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "abstract_id_CAS", this); + public StrColumnBuilder enterAbstractIdCas() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "abstract_id_cas", this); } - public StrColumnBuilder enterBookIdISBN() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "book_id_ISBN", this); + public StrColumnBuilder enterBookIdIsbn() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "book_id_isbn", this); } public StrColumnBuilder enterBookPublisher() { @@ -3335,12 +3789,12 @@ public StrColumnBuilder(CATEGORY_NAME, "country", this); } - public StrColumnBuilder enterDatabaseIdCSD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "database_id_CSD", this); + public StrColumnBuilder enterDatabaseIdCsd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "database_id_csd", this); } public StrColumnBuilder enterDatabaseIdMedline() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "database_id_Medline", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "database_id_medline", this); } public StrColumnBuilder enterDoi() { @@ -3359,20 +3813,20 @@ public StrColumnBuilder(CATEGORY_NAME, "journal_full", this); } - public StrColumnBuilder enterJournalIdASTM() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_id_ASTM", this); + public StrColumnBuilder enterJournalIdAstm() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_id_astm", this); } - public StrColumnBuilder enterJournalIdCSD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_id_CSD", this); + public StrColumnBuilder enterJournalIdCsd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_id_csd", this); } - public StrColumnBuilder enterJournalIdISSN() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_id_ISSN", this); + public StrColumnBuilder enterJournalIdIssn() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_id_issn", this); } - public IntColumnBuilder enterJournalIssue() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "journal_issue", this); + public StrColumnBuilder enterJournalIssue() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_issue", this); } public IntColumnBuilder enterJournalVolume() { @@ -3399,8 +3853,12 @@ public StrColumnBuilder(CATEGORY_NAME, "title", this); } - public StrColumnBuilder enterYear() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "year", this); + public StrColumnBuilder enterUrl() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "url", this); + } + + public IntColumnBuilder enterYear() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "year", this); } public StrColumnBuilder enterDetails() { @@ -3420,10 +3878,6 @@ public CitationAuthorBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterKey() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "key", this); - } - public StrColumnBuilder enterCitationId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "citation_id", this); } @@ -3449,10 +3903,6 @@ public StrColumnBuilder(CATEGORY_NAME, "citation_id", this); } - public StrColumnBuilder enterId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); - } - public StrColumnBuilder enterName() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } @@ -3482,6 +3932,10 @@ public StrColumnBuilder(CATEGORY_NAME, "publication_material", this); } + public StrColumnBuilder enterSampleTracking() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sample_tracking", this); + } + public StrColumnBuilder enterStructureRefinement() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "structure_refinement", this); } @@ -3515,64 +3969,64 @@ public DatabaseBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterCSDHistory() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "CSD_history", this); + public StrColumnBuilder enterCsdHistory() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "csd_history", this); } public StrColumnBuilder enterDatasetDoi() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "dataset_doi", this); } - public StrColumnBuilder enterJournalASTM() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_ASTM", this); + public StrColumnBuilder enterJournalAstm() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_astm", this); } - public StrColumnBuilder enterJournalCSD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_CSD", this); + public StrColumnBuilder enterJournalCsd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "journal_csd", this); } public StrColumnBuilder enterCodeCAS() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_CAS", this); } - public StrColumnBuilder enterCAS() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "CAS", this); + public StrColumnBuilder enterCas() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cas", this); } public StrColumnBuilder enterCodeCOD() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_COD", this); } - public StrColumnBuilder enterCOD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "COD", this); + public StrColumnBuilder enterCod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cod", this); } public StrColumnBuilder enterCodeCSD() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_CSD", this); } - public StrColumnBuilder enterCSD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "CSD", this); + public StrColumnBuilder enterCsd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "csd", this); } - public StrColumnBuilder enterCodeDepnumCcdcArchive() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_depnum_ccdc_archive", this); + public StrColumnBuilder enterCodeDepnumCCDCArchive() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_depnum_CCDC_archive", this); } public StrColumnBuilder enterDepnumCcdcArchive() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "depnum_ccdc_archive", this); } - public StrColumnBuilder enterCodeDepnumCcdcFiz() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_depnum_ccdc_fiz", this); + public StrColumnBuilder enterCodeDepnumCCDCFiz() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_depnum_CCDC_fiz", this); } public StrColumnBuilder enterDepnumCcdcFiz() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "depnum_ccdc_fiz", this); } - public StrColumnBuilder enterCodeDepnumCcdcJournal() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_depnum_ccdc_journal", this); + public StrColumnBuilder enterCodeDepnumCCDCJournal() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_depnum_CCDC_journal", this); } public StrColumnBuilder enterDepnumCcdcJournal() { @@ -3583,40 +4037,40 @@ public StrColumnBuilder(CATEGORY_NAME, "code_ICSD", this); } - public StrColumnBuilder enterICSD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ICSD", this); + public StrColumnBuilder enterIcsd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "icsd", this); } public StrColumnBuilder enterCodeMDF() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_MDF", this); } - public StrColumnBuilder enterMDF() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "MDF", this); + public StrColumnBuilder enterMdf() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mdf", this); } public StrColumnBuilder enterCodeNBS() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_NBS", this); } - public StrColumnBuilder enterNBS() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "NBS", this); + public StrColumnBuilder enterNbs() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "nbs", this); } public StrColumnBuilder enterCodePDB() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_PDB", this); } - public StrColumnBuilder enterPDB() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "PDB", this); + public StrColumnBuilder enterPdb() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdb", this); } public StrColumnBuilder enterCodePDF() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "code_PDF", this); } - public StrColumnBuilder enterPDF() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "PDF", this); + public StrColumnBuilder enterPdf() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdf", this); } } @@ -3628,16 +4082,20 @@ public DatabaseCodeBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterCAS() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "CAS", this); + public StrColumnBuilder enterBincstrdb() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "bincstrdb", this); + } + + public StrColumnBuilder enterCas() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cas", this); } - public StrColumnBuilder enterCOD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "COD", this); + public StrColumnBuilder enterCod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cod", this); } - public StrColumnBuilder enterCSD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "CSD", this); + public StrColumnBuilder enterCsd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "csd", this); } public StrColumnBuilder enterDepnumCcdcArchive() { @@ -3652,24 +4110,24 @@ public StrColumnBuilder(CATEGORY_NAME, "depnum_ccdc_journal", this); } - public StrColumnBuilder enterICSD() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ICSD", this); + public StrColumnBuilder enterIcsd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "icsd", this); } - public StrColumnBuilder enterMDF() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "MDF", this); + public StrColumnBuilder enterMdf() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mdf", this); } - public StrColumnBuilder enterNBS() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "NBS", this); + public StrColumnBuilder enterNbs() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "nbs", this); } - public StrColumnBuilder enterPDB() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "PDB", this); + public StrColumnBuilder enterPdb() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdb", this); } - public StrColumnBuilder enterPDF() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "PDF", this); + public StrColumnBuilder enterPdf() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdf", this); } } @@ -3681,10 +4139,6 @@ public DatabaseRelatedBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); - } - public StrColumnBuilder enterDatabaseId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "database_id", this); } @@ -3693,6 +4147,10 @@ public StrColumnBuilder(CATEGORY_NAME, "entry_code", this); } + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + public StrColumnBuilder enterRelation() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "relation", this); } @@ -3703,16 +4161,6 @@ public StrColumnBuilder(CATEGORY_NAME, "red", this); } - public IntColumnBuilder enterRGB() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "RGB", this); + public IntColumnBuilder enterRgb() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "rgb", this); } } @@ -3749,16 +4197,12 @@ public JournalBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterCodenASTM() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "coden_ASTM", this); + public StrColumnBuilder enterCodenAstm() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "coden_astm", this); } public StrColumnBuilder enterCodenCambridge() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "coden_Cambridge", this); - } - - public StrColumnBuilder enterDataValidationNumber() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "data_validation_number", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "coden_cambridge", this); } public StrColumnBuilder enterIssue() { @@ -3789,6 +4233,18 @@ public StrColumnBuilder return new StrColumnBuilderImpl<>(CATEGORY_NAME, "paper_doi", this); } + public StrColumnBuilder enterPaperNumber() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "paper_number", this); + } + + public IntColumnBuilder enterPaperPages() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "paper_pages", this); + } + + public StrColumnBuilder enterPaperUrl() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "paper_url", this); + } + public StrColumnBuilder enterSupplPublNumber() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "suppl_publ_number", this); } @@ -3797,10 +4253,6 @@ public IntColumnBuilder return new IntColumnBuilderImpl<>(CATEGORY_NAME, "suppl_publ_pages", this); } - public StrColumnBuilder enterValidationNumber() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "validation_number", this); - } - public IntColumnBuilder enterVolume() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "volume", this); } @@ -3809,6 +4261,14 @@ public IntColumnBuilder return new IntColumnBuilderImpl<>(CATEGORY_NAME, "year", this); } + public StrColumnBuilder enterDataValidationNumber() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "data_validation_number", this); + } + + public StrColumnBuilder enterValidationNumber() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "validation_number", this); + } + public StrColumnBuilder enterCoeditorAddress() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "coeditor_address", this); } @@ -4068,8 +4528,8 @@ public JournalIndexBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } public StrColumnBuilder enterSubterm() { @@ -4142,6 +4602,14 @@ public StrColumnBuilder en return new StrColumnBuilderImpl<>(CATEGORY_NAME, "address", this); } + public StrColumnBuilder enterContactAuthor() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "contact_author", this); + } + + public StrColumnBuilder enterContactDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "contact_details", this); + } + public StrColumnBuilder enterContactAuthorEmail() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "contact_author_email", this); } @@ -4158,10 +4626,6 @@ public StrColumnBuilder en return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fax", this); } - public StrColumnBuilder enterContactAuthor() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "contact_author", this); - } - public StrColumnBuilder enterContactAuthorName() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "contact_author_name", this); } @@ -4383,6 +4847,14 @@ public StrColumnBuilder(CATEGORY_NAME, "footnote", this); } + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterIdAudit() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id_audit", this); + } + public StrColumnBuilder enterIdIucr() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id_iucr", this); } @@ -4437,6 +4909,10 @@ public PublContactAuthorBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + public StrColumnBuilder enterIdIucr() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id_iucr", this); } @@ -4449,6 +4925,10 @@ public StrColumnBuilder(CATEGORY_NAME, "address", this); } + public StrColumnBuilder enterContactDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "contact_details", this); + } + public StrColumnBuilder enterEmail() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "email", this); } @@ -4589,41 +5069,149 @@ public StrColumnBuilder(CATEGORY_NAME, "related_literature", this); } - public StrColumnBuilder enterSynopsis() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "synopsis", this); + public StrColumnBuilder enterSynopsis() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "synopsis", this); + } + + public StrColumnBuilder enterTableLegends() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "table_legends", this); + } + + public StrColumnBuilder enterTitle() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "title", this); + } + + public StrColumnBuilder enterTitleFootnote() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "title_footnote", this); + } + + } + + public static class AtomAnalyticalBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "atom_analytical"; + + public AtomAnalyticalBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterAnalyte() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "analyte", this); + } + + public FloatColumnBuilder enterAnalyteMassPercent() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "analyte_mass_percent", this); + } + + public FloatColumnBuilder enterAnalyteMassPercentSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "analyte_mass_percent_su", this); + } + + public StrColumnBuilder enterChemicalSpecies() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "chemical_species", this); + } + + public FloatColumnBuilder enterChemicalSpeciesMassPercent() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "chemical_species_mass_percent", this); + } + + public FloatColumnBuilder enterChemicalSpeciesMassPercentSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "chemical_species_mass_percent_su", this); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterMeasId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "meas_id", this); + } + + } + + public static class AtomAnalyticalMassLossBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "atom_analytical_mass_loss"; + + public AtomAnalyticalMassLossBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterMeasId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "meas_id", this); + } + + public FloatColumnBuilder enterPercent() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent", this); + } + + public FloatColumnBuilder enterPercentSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_su", this); + } + + public StrColumnBuilder enterSpecialDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); + } + + public FloatColumnBuilder enterTemperature() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temperature", this); + } + + public FloatColumnBuilder enterTemperatureSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temperature_su", this); + } + + } + + public static class AtomAnalyticalSourceBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "atom_analytical_source"; + + public AtomAnalyticalSourceBuilder(CifCoreBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterEquipmentMake() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "equipment_make", this); } - public StrColumnBuilder enterTableLegends() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "table_legends", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterTitle() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "title", this); + public StrColumnBuilder enterSpecialDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "special_details", this); } - public StrColumnBuilder enterTitleFootnote() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "title_footnote", this); + public StrColumnBuilder enterTechnique() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "technique", this); } } - public static class StructureBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "structure"; + public static class AtomScatVersusStolBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "atom_scat_versus_stol"; - public StructureBuilder(CifCoreBlockBuilder parent) { + public AtomScatVersusStolBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public StrColumnBuilder enterAtomType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_type", this); + } - } - - public static class AtomBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "atom"; + public FloatColumnBuilder enterScatValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scat_value", this); + } - public AtomBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterScatValueSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scat_value_su", this); } + public FloatColumnBuilder enterStolValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "stol_value", this); + } } @@ -4639,11 +5227,11 @@ public IntColumnBuilder enterBEquivGeomMean() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_equiv_geom_mean", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_equiv_geom_mean", this); } public FloatColumnBuilder enterBIsoOrEquiv() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_iso_or_equiv", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_iso_or_equiv", this); } public StrColumnBuilder enterCalcAttachedAtom() { @@ -4655,19 +5243,23 @@ public StrColumnBuilder enterCartnX() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_x", this); } public FloatColumnBuilder enterCartnXyz() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_xyz", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_xyz", this); + } + + public FloatColumnBuilder enterCartnXyzSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_xyz_su", this); } public FloatColumnBuilder enterCartnY() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_y", this); } public FloatColumnBuilder enterCartnZ() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_z", this); } public IntColumnBuilder enterChemicalConnNumber() { @@ -4686,6 +5278,10 @@ public StrColumnBuilder(CATEGORY_NAME, "disorder_group", this); } + public StrColumnBuilder enterFractSymmform() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fract_symmform", this); + } + public FloatColumnBuilder enterFractX() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fract_x", this); } @@ -4694,6 +5290,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "fract_xyz", this); } + public FloatColumnBuilder enterFractXyzSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fract_xyz_su", this); + } + public FloatColumnBuilder enterFractY() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fract_y", this); } @@ -4758,24 +5358,20 @@ public IntColumnBuilder(CATEGORY_NAME, "site_symmetry_order", this); } - public FloatColumnBuilder enterTensorBeta() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tensor_beta", this); - } - public StrColumnBuilder enterTypeSymbol() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type_symbol", this); } public FloatColumnBuilder enterUEquivGeomMean() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_equiv_geom_mean", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_equiv_geom_mean", this); } public FloatColumnBuilder enterUIsoOrEquiv() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_iso_or_equiv", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_iso_or_equiv", this); } public StrColumnBuilder enterWyckoffSymbol() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "Wyckoff_symbol", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wyckoff_symbol", this); } public StrColumnBuilder enterThermalDisplaceType() { @@ -4791,7 +5387,7 @@ public FloatColumnBuilder enterBEquivGeomMeanSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_equiv_geom_mean_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_equiv_geom_mean_su", this); } public FloatColumnBuilder enterBIsoOrEquivEsd() { @@ -4799,7 +5395,7 @@ public FloatColumnBuilder enterBIsoOrEquivSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_iso_or_equiv_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_iso_or_equiv_su", this); } public FloatColumnBuilder enterCartnXEsd() { @@ -4807,7 +5403,7 @@ public FloatColumnBuilder enterCartnXSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_x_su", this); } public FloatColumnBuilder enterCartnYEsd() { @@ -4815,7 +5411,7 @@ public FloatColumnBuilder enterCartnYSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_y_su", this); } public FloatColumnBuilder enterCartnZEsd() { @@ -4823,7 +5419,7 @@ public FloatColumnBuilder enterCartnZSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cartn_z_su", this); } public StrColumnBuilder enterDetails() { @@ -4887,7 +5483,7 @@ public FloatColumnBuilder enterUEquivGeomMeanSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_equiv_geom_mean_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_equiv_geom_mean_su", this); } public FloatColumnBuilder enterUIsoOrEquivEsd() { @@ -4895,7 +5491,7 @@ public FloatColumnBuilder enterUIsoOrEquivSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_iso_or_equiv_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_iso_or_equiv_su", this); } public FloatColumnBuilder enterAnisoB11() { @@ -4915,7 +5511,7 @@ public FloatColumnBuilder enterB11Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_11_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_11_su", this); } public FloatColumnBuilder enterAnisoB12() { @@ -4935,7 +5531,7 @@ public FloatColumnBuilder enterB12Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_12_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_12_su", this); } public FloatColumnBuilder enterAnisoB13() { @@ -4955,7 +5551,7 @@ public FloatColumnBuilder enterB13Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_13_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_13_su", this); } public FloatColumnBuilder enterAnisoB22() { @@ -4975,7 +5571,7 @@ public FloatColumnBuilder enterB22Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_22_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_22_su", this); } public FloatColumnBuilder enterAnisoB23() { @@ -4995,7 +5591,7 @@ public FloatColumnBuilder enterB23Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_23_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_23_su", this); } public FloatColumnBuilder enterAnisoB33() { @@ -5015,7 +5611,23 @@ public FloatColumnBuilder enterB33Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_33_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_33_su", this); + } + + public FloatColumnBuilder enterTensorBeta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tensor_beta", this); + } + + public FloatColumnBuilder enterMatrixBeta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_beta", this); + } + + public FloatColumnBuilder enterTensorBetaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tensor_beta_su", this); + } + + public FloatColumnBuilder enterMatrixBetaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_beta_su", this); } public FloatColumnBuilder enterRatio() { @@ -5043,7 +5655,7 @@ public FloatColumnBuilder enterU11Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_11_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_11_su", this); } public FloatColumnBuilder enterAnisoU12() { @@ -5063,7 +5675,7 @@ public FloatColumnBuilder enterU12Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_12_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_12_su", this); } public FloatColumnBuilder enterAnisoU13() { @@ -5083,7 +5695,7 @@ public FloatColumnBuilder enterU13Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_13_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_13_su", this); } public FloatColumnBuilder enterAnisoU22() { @@ -5103,7 +5715,7 @@ public FloatColumnBuilder enterU22Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_22_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_22_su", this); } public FloatColumnBuilder enterAnisoU23() { @@ -5123,7 +5735,7 @@ public FloatColumnBuilder enterU23Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_23_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_23_su", this); } public FloatColumnBuilder enterAnisoU33() { @@ -5143,7 +5755,7 @@ public FloatColumnBuilder enterU33Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_33_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_33_su", this); } } @@ -5155,12 +5767,72 @@ public AtomSiteAnisoBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public FloatColumnBuilder enterBeta11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_11", this); + } + + public FloatColumnBuilder enterBeta11Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_11_su", this); + } + + public FloatColumnBuilder enterBeta12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_12", this); + } + + public FloatColumnBuilder enterBeta12Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_12_su", this); + } + + public FloatColumnBuilder enterBeta13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_13", this); + } + + public FloatColumnBuilder enterBeta13Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_13_su", this); + } + + public FloatColumnBuilder enterBeta22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_22", this); + } + + public FloatColumnBuilder enterBeta22Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_22_su", this); + } + + public FloatColumnBuilder enterBeta23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_23", this); + } + + public FloatColumnBuilder enterBeta23Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_23_su", this); + } + + public FloatColumnBuilder enterBeta33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_33", this); + } + + public FloatColumnBuilder enterBeta33Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_33_su", this); + } + public FloatColumnBuilder enterMatrixB() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_B", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_b", this); + } + + public FloatColumnBuilder enterMatrixBSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_b_su", this); } public FloatColumnBuilder enterMatrixU() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_U", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_u", this); + } + + public FloatColumnBuilder enterMatrixUSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_u_su", this); + } + + public StrColumnBuilder enterSymmform() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "symmform", this); } public FloatColumnBuilder enterB11() { @@ -5172,7 +5844,7 @@ public FloatColumnBuilder enterB11Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_11_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_11_su", this); } public FloatColumnBuilder enterB12() { @@ -5184,7 +5856,7 @@ public FloatColumnBuilder enterB12Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_12_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_12_su", this); } public FloatColumnBuilder enterB13() { @@ -5196,7 +5868,7 @@ public FloatColumnBuilder enterB13Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_13_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_13_su", this); } public FloatColumnBuilder enterB22() { @@ -5208,7 +5880,7 @@ public FloatColumnBuilder enterB22Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_22_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_22_su", this); } public FloatColumnBuilder enterB23() { @@ -5220,7 +5892,7 @@ public FloatColumnBuilder enterB23Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_23_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_23_su", this); } public FloatColumnBuilder enterB33() { @@ -5232,7 +5904,7 @@ public FloatColumnBuilder enterB33Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_33_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "b_33_su", this); } public StrColumnBuilder enterId() { @@ -5243,6 +5915,14 @@ public StrColumnBuilder(CATEGORY_NAME, "label", this); } + public FloatColumnBuilder enterMatrixBeta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_beta", this); + } + + public FloatColumnBuilder enterMatrixBetaSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_beta_su", this); + } + public FloatColumnBuilder enterRatio() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ratio", this); } @@ -5260,7 +5940,7 @@ public FloatColumnBuilder enterU11Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_11_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_11_su", this); } public FloatColumnBuilder enterU12() { @@ -5272,7 +5952,7 @@ public FloatColumnBuilder enterU12Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_12_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_12_su", this); } public FloatColumnBuilder enterU13() { @@ -5284,7 +5964,7 @@ public FloatColumnBuilder enterU13Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_13_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_13_su", this); } public FloatColumnBuilder enterU22() { @@ -5296,7 +5976,7 @@ public FloatColumnBuilder enterU22Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_22_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_22_su", this); } public FloatColumnBuilder enterU23() { @@ -5308,7 +5988,7 @@ public FloatColumnBuilder enterU23Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_23_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_23_su", this); } public FloatColumnBuilder enterU33() { @@ -5320,7 +6000,7 @@ public FloatColumnBuilder enterU33Su() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "U_33_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "u_33_su", this); } } @@ -5513,6 +6193,70 @@ public AtomSitesCartnTransformBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public FloatColumnBuilder enterMat11Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_11_su", this); + } + + public FloatColumnBuilder enterMat12Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_12_su", this); + } + + public FloatColumnBuilder enterMat13Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_13_su", this); + } + + public FloatColumnBuilder enterMat21Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_21_su", this); + } + + public FloatColumnBuilder enterMat22Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_22_su", this); + } + + public FloatColumnBuilder enterMat23Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_23_su", this); + } + + public FloatColumnBuilder enterMat31Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_31_su", this); + } + + public FloatColumnBuilder enterMat32Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_32_su", this); + } + + public FloatColumnBuilder enterMat33Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_33_su", this); + } + + public FloatColumnBuilder enterMatrix() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix", this); + } + + public FloatColumnBuilder enterMatrixSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_su", this); + } + + public FloatColumnBuilder enterVec1Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vec_1_su", this); + } + + public FloatColumnBuilder enterVec2Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vec_2_su", this); + } + + public FloatColumnBuilder enterVec3Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vec_3_su", this); + } + + public FloatColumnBuilder enterVector() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector", this); + } + + public FloatColumnBuilder enterVectorSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_su", this); + } + public StrColumnBuilder enterAxes() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axes", this); } @@ -5553,10 +6297,6 @@ public FloatColumnBuilder(CATEGORY_NAME, "mat_33", this); } - public FloatColumnBuilder enterMatrix() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix", this); - } - public FloatColumnBuilder enterVec1() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vec_1", this); } @@ -5569,10 +6309,6 @@ public FloatColumnBuilder(CATEGORY_NAME, "vec_3", this); } - public FloatColumnBuilder enterVector() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector", this); - } - } public static class AtomSitesFractTransformBuilder extends CifCoreCategoryBuilder { @@ -5582,14 +6318,70 @@ public AtomSitesFractTransformBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public FloatColumnBuilder enterMat11Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_11_su", this); + } + + public FloatColumnBuilder enterMat12Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_12_su", this); + } + + public FloatColumnBuilder enterMat13Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_13_su", this); + } + + public FloatColumnBuilder enterMat21Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_21_su", this); + } + + public FloatColumnBuilder enterMat22Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_22_su", this); + } + + public FloatColumnBuilder enterMat23Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_23_su", this); + } + + public FloatColumnBuilder enterMat31Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_31_su", this); + } + + public FloatColumnBuilder enterMat32Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_32_su", this); + } + + public FloatColumnBuilder enterMat33Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mat_33_su", this); + } + public FloatColumnBuilder enterMatrix() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix", this); } + public FloatColumnBuilder enterMatrixSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix_su", this); + } + + public FloatColumnBuilder enterVec1Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vec_1_su", this); + } + + public FloatColumnBuilder enterVec2Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vec_2_su", this); + } + + public FloatColumnBuilder enterVec3Su() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vec_3_su", this); + } + public FloatColumnBuilder enterVector() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector", this); } + public FloatColumnBuilder enterVectorSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "vector_su", this); + } + public StrColumnBuilder enterAxes() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axes", this); } @@ -5651,6 +6443,10 @@ public AtomTypeBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public FloatColumnBuilder enterAnalyticalMassPercentSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "analytical_mass_percent_su", this); + } + public FloatColumnBuilder enterAtomicMass() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "atomic_mass", this); } @@ -5675,8 +6471,8 @@ public StrColumnBuilder(CATEGORY_NAME, "element_symbol", this); } - public StrColumnBuilder enterKey() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "key", this); + public IntColumnBuilder enterMassNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "mass_number", this); } public FloatColumnBuilder enterNumberInCell() { @@ -5712,7 +6508,7 @@ public FloatColumnBuilder enterCromerMannA1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_a1", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_a1", this); } public FloatColumnBuilder enterScatCromerMannA2() { @@ -5720,7 +6516,7 @@ public FloatColumnBuilder enterCromerMannA2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_a2", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_a2", this); } public FloatColumnBuilder enterScatCromerMannA3() { @@ -5728,7 +6524,7 @@ public FloatColumnBuilder enterCromerMannA3() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_a3", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_a3", this); } public FloatColumnBuilder enterScatCromerMannA4() { @@ -5736,7 +6532,7 @@ public FloatColumnBuilder enterCromerMannA4() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_a4", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_a4", this); } public FloatColumnBuilder enterScatCromerMannB1() { @@ -5744,7 +6540,7 @@ public FloatColumnBuilder enterCromerMannB1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_b1", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_b1", this); } public FloatColumnBuilder enterScatCromerMannB2() { @@ -5752,7 +6548,7 @@ public FloatColumnBuilder enterCromerMannB2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_b2", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_b2", this); } public FloatColumnBuilder enterScatCromerMannB3() { @@ -5760,7 +6556,7 @@ public FloatColumnBuilder enterCromerMannB3() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_b3", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_b3", this); } public FloatColumnBuilder enterScatCromerMannB4() { @@ -5768,7 +6564,7 @@ public FloatColumnBuilder enterCromerMannB4() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_b4", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_b4", this); } public FloatColumnBuilder enterScatCromerMannC() { @@ -5776,7 +6572,7 @@ public FloatColumnBuilder enterCromerMannC() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_c", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_c", this); } public FloatColumnBuilder enterScatDispersionImag() { @@ -5837,7 +6633,7 @@ public AtomTypeScatBuilder(CifCoreBlockBuilder parent) { } public FloatColumnBuilder enterCromerMannCoeffs() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_coeffs", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_coeffs", this); } public StrColumnBuilder enterDispersion() { @@ -5860,24 +6656,72 @@ public FloatColumnBuilder(CATEGORY_NAME, "dispersion_real_mo", this); } + public FloatColumnBuilder enterExponentialPolynomialCoefs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "exponential_polynomial_coefs", this); + } + + public FloatColumnBuilder enterExponentialPolynomialCoefsSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "exponential_polynomial_coefs_su", this); + } + + public FloatColumnBuilder enterExponentialPolynomialLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "exponential_polynomial_lower_limit", this); + } + + public FloatColumnBuilder enterExponentialPolynomialUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "exponential_polynomial_upper_limit", this); + } + + public FloatColumnBuilder enterGaussianCoefs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "gaussian_coefs", this); + } + + public FloatColumnBuilder enterGaussianCoefsSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "gaussian_coefs_su", this); + } + + public FloatColumnBuilder enterGaussianLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "gaussian_lower_limit", this); + } + + public FloatColumnBuilder enterGaussianUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "gaussian_upper_limit", this); + } + public FloatColumnBuilder enterHiAngFoxC0() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_Fox_c0", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_fox_c0", this); } public FloatColumnBuilder enterHiAngFoxC1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_Fox_c1", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_fox_c1", this); } public FloatColumnBuilder enterHiAngFoxC2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_Fox_c2", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_fox_c2", this); } public FloatColumnBuilder enterHiAngFoxC3() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_Fox_c3", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_fox_c3", this); } public FloatColumnBuilder enterHiAngFoxCoeffs() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_Fox_coeffs", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "hi_ang_fox_coeffs", this); + } + + public FloatColumnBuilder enterInvMottBetheCoefs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "inv_mott_bethe_coefs", this); + } + + public FloatColumnBuilder enterInvMottBetheCoefsSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "inv_mott_bethe_coefs_su", this); + } + + public FloatColumnBuilder enterInvMottBetheLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "inv_mott_bethe_lower_limit", this); + } + + public FloatColumnBuilder enterInvMottBetheUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "inv_mott_bethe_upper_limit", this); } public StrColumnBuilder enterSymbol() { @@ -5885,39 +6729,39 @@ public StrColumnBuilder enterCromerMannA1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_a1", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_a1", this); } public FloatColumnBuilder enterCromerMannA2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_a2", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_a2", this); } public FloatColumnBuilder enterCromerMannA3() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_a3", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_a3", this); } public FloatColumnBuilder enterCromerMannA4() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_a4", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_a4", this); } public FloatColumnBuilder enterCromerMannB1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_b1", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_b1", this); } public FloatColumnBuilder enterCromerMannB2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_b2", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_b2", this); } public FloatColumnBuilder enterCromerMannB3() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_b3", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_b3", this); } public FloatColumnBuilder enterCromerMannB4() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_b4", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_b4", this); } public FloatColumnBuilder enterCromerMannC() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cromer_Mann_c", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cromer_mann_c", this); } public FloatColumnBuilder enterDispersionImag() { @@ -5953,6 +6797,14 @@ public RefineBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public StrColumnBuilder enterDiffractionTheory() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "diffraction_theory", this); + } + + public StrColumnBuilder enterDiffractionTheoryDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "diffraction_theory_details", this); + } + public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } @@ -5993,16 +6845,16 @@ public FloatColumnBuilder(CATEGORY_NAME, "density_min_su", this); } - public FloatColumnBuilder enterDiffDensityRms() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diff_density_rms", this); + public FloatColumnBuilder enterDiffDensityRMS() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diff_density_RMS", this); } public FloatColumnBuilder enterDensityRms() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "density_rms", this); } - public FloatColumnBuilder enterDiffDensityRmsEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diff_density_rms_esd", this); + public FloatColumnBuilder enterDiffDensityRMSEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "diff_density_RMS_esd", this); } public FloatColumnBuilder enterDensityRmsSu() { @@ -6022,7 +6874,7 @@ public FloatColumnBuilder enterAbsStructureFlack() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_Flack", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_flack", this); } public FloatColumnBuilder enterLsAbsStructureFlackEsd() { @@ -6030,7 +6882,7 @@ public FloatColumnBuilder enterAbsStructureFlackSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_Flack_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_flack_su", this); } public FloatColumnBuilder enterLsAbsStructureRogers() { @@ -6038,7 +6890,7 @@ public FloatColumnBuilder enterAbsStructureRogers() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_Rogers", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_rogers", this); } public FloatColumnBuilder enterLsAbsStructureRogersEsd() { @@ -6046,7 +6898,7 @@ public FloatColumnBuilder enterAbsStructureRogersSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_Rogers_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_rogers_su", this); } public FloatColumnBuilder enterLsDResHigh() { @@ -6206,7 +7058,7 @@ public FloatColumnBuilder enterRFactorAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_all", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_factor_all", this); } public FloatColumnBuilder enterLsRFactorObs() { @@ -6218,7 +7070,7 @@ public FloatColumnBuilder enterRFactorGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_gt", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_factor_gt", this); } public FloatColumnBuilder enterLsRFsqdFactorObs() { @@ -6226,7 +7078,7 @@ public FloatColumnBuilder enterRFsqdFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_Fsqd_factor", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_fsqd_factor", this); } public FloatColumnBuilder enterLsRIFactorObs() { @@ -6234,7 +7086,7 @@ public FloatColumnBuilder enterRIFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_I_factor", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_i_factor", this); } public FloatColumnBuilder enterLsRestrainedSAll() { @@ -6242,7 +7094,7 @@ public FloatColumnBuilder enterRestrainedSAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_S_all", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_s_all", this); } public FloatColumnBuilder enterLsRestrainedSObs() { @@ -6250,7 +7102,7 @@ public FloatColumnBuilder enterRestrainedSGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_S_gt", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_s_gt", this); } public FloatColumnBuilder enterLsShiftOverEsdMax() { @@ -6321,16 +7173,16 @@ public FloatColumnBuilder(CATEGORY_NAME, "ls_wR_factor_all", this); } - public FloatColumnBuilder enterWRFactorAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wR_factor_all", this); + public FloatColumnBuilder enterWrFactorAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wr_factor_all", this); } public FloatColumnBuilder enterLsWRFactorObs() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ls_wR_factor_obs", this); } - public FloatColumnBuilder enterWRFactorGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wR_factor_gt", this); + public FloatColumnBuilder enterWrFactorGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wr_factor_gt", this); } } @@ -6342,6 +7194,30 @@ public RefineDiffBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public FloatColumnBuilder enterPotentialMax() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "potential_max", this); + } + + public FloatColumnBuilder enterPotentialMaxSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "potential_max_su", this); + } + + public FloatColumnBuilder enterPotentialMin() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "potential_min", this); + } + + public FloatColumnBuilder enterPotentialMinSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "potential_min_su", this); + } + + public FloatColumnBuilder enterPotentialRms() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "potential_rms", this); + } + + public FloatColumnBuilder enterPotentialRmsSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "potential_rms_su", this); + } + public FloatColumnBuilder enterDensityMax() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "density_max", this); } @@ -6375,20 +7251,56 @@ public RefineLsBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public FloatColumnBuilder enterAbsStructureZ_score() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_z-score", this); + } + public StrColumnBuilder enterFCalcDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "F_calc_details", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "f_calc_details", this); } public StrColumnBuilder enterFCalcFormula() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "F_calc_formula", this); + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "f_calc_formula", this); } public FloatColumnBuilder enterFCalcPrecision() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "F_calc_precision", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_calc_precision", this); + } + + public FloatColumnBuilder enterFCalcPrecisionSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "f_calc_precision_su", this); + } + + public FloatColumnBuilder enterGoodnessOfFitRefSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "goodness_of_fit_ref_su", this); + } + + public FloatColumnBuilder enterRestrainedSAllSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_s_all_su", this); } - public FloatColumnBuilder enterWRFactorRef() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wR_factor_ref", this); + public FloatColumnBuilder enterRestrainedSGtSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_s_gt_su", this); + } + + public StrColumnBuilder enterSampleShapeDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sample_shape_details", this); + } + + public StrColumnBuilder enterSampleShapeExpression() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sample_shape_expression", this); + } + + public FloatColumnBuilder enterSampleThickness() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sample_thickness", this); + } + + public FloatColumnBuilder enterSampleThicknessSu() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sample_thickness_su", this); + } + + public FloatColumnBuilder enterWrFactorRef() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wr_factor_ref", this); } public StrColumnBuilder enterAbsStructureDetails() { @@ -6396,19 +7308,19 @@ public StrColumnBuilder enterAbsStructureFlack() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_Flack", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_flack", this); } public FloatColumnBuilder enterAbsStructureFlackSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_Flack_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_flack_su", this); } public FloatColumnBuilder enterAbsStructureRogers() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_Rogers", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_rogers", this); } public FloatColumnBuilder enterAbsStructureRogersSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_Rogers_su", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "abs_structure_rogers_su", this); } public FloatColumnBuilder enterDResHigh() { @@ -6484,27 +7396,27 @@ public IntColumnBuilder enterRFactorAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_all", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_factor_all", this); } public FloatColumnBuilder enterRFactorGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_gt", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_factor_gt", this); } public FloatColumnBuilder enterRFsqdFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_Fsqd_factor", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_fsqd_factor", this); } public FloatColumnBuilder enterRIFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_I_factor", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_i_factor", this); } public FloatColumnBuilder enterRestrainedSAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_S_all", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_s_all", this); } public FloatColumnBuilder enterRestrainedSGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_S_gt", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "restrained_s_gt", this); } public FloatColumnBuilder enterShiftOverSuMax() { @@ -6535,12 +7447,12 @@ public StrColumnBuilder(CATEGORY_NAME, "weighting_scheme", this); } - public FloatColumnBuilder enterWRFactorAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wR_factor_all", this); + public FloatColumnBuilder enterWrFactorAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wr_factor_all", this); } - public FloatColumnBuilder enterWRFactorGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wR_factor_gt", this); + public FloatColumnBuilder enterWrFactorGt() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wr_factor_gt", this); } } @@ -6565,98 +7477,60 @@ public FloatColumnBuilder enterRFactorAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_all", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_factor_all", this); } public FloatColumnBuilder enterRFactorGt() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_gt", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_factor_gt", this); } public FloatColumnBuilder enterRFsqdFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_Fsqd_factor", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_fsqd_factor", this); } public FloatColumnBuilder enterRIFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_I_factor", this); - } - - public FloatColumnBuilder enterWRFactorAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wR_factor_all", this); - } - - } - - public static class SymmetryBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "symmetry"; - - public SymmetryBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); - } - - public StrColumnBuilder enterCellSetting() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cell_setting", this); - } - - public IntColumnBuilder enterIntTablesNumber() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "Int_Tables_number", this); - } - - public StrColumnBuilder enterSpaceGroupNameHall() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "space_group_name_Hall", this); + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "r_i_factor", this); } - public StrColumnBuilder enterSpaceGroupNameH_M() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "space_group_name_H-M", this); + public FloatColumnBuilder enterWrFactorAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "wr_factor_all", this); } } - public static class DiffrnStandardsBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "diffrn_standards"; + public static class FunctionBuilder extends CifCoreCategoryBuilder { + private static final String CATEGORY_NAME = "function"; - public DiffrnStandardsBuilder(CifCoreBlockBuilder parent) { + public FunctionBuilder(CifCoreBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterDecay() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "decay_%", this); - } - - public IntColumnBuilder enterIntervalCount() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "interval_count", this); - } - - public FloatColumnBuilder enterIntervalTime() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "interval_time", this); + public StrColumnBuilder enterAtomtype() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atomtype", this); } - public IntColumnBuilder enterNumber() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number", this); + public FloatColumnBuilder enterClosest() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "closest", this); } - public FloatColumnBuilder enterScaleSigma() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_sigma", this); + public FloatColumnBuilder enterSeitzfromjones() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "seitzfromjones", this); } - public FloatColumnBuilder enterScaleU() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scale_u", this); + public FloatColumnBuilder enterSymequiv() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "symequiv", this); } - } - - public static class CellAngleBuilder extends CifCoreCategoryBuilder { - private static final String CATEGORY_NAME = "cell_angle"; - - public CellAngleBuilder(CifCoreBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public IntColumnBuilder enterSymkey() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "symkey", this); } - public FloatColumnBuilder enterBetaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "beta_su", this); + public IntColumnBuilder enterSymlat() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "symlat", this); } - public FloatColumnBuilder enterGammaSu() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "gamma_su", this); + public StrColumnBuilder enterSymop() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "symop", this); } } diff --git a/src/main/java/org/rcsb/cif/schema/core/CifCoreFile.java b/src/main/java/org/rcsb/cif/schema/core/CifCoreFile.java index 172241935..de06a2c23 100644 --- a/src/main/java/org/rcsb/cif/schema/core/CifCoreFile.java +++ b/src/main/java/org/rcsb/cif/schema/core/CifCoreFile.java @@ -4,6 +4,9 @@ import org.rcsb.cif.model.CifFile; import org.rcsb.cif.schema.DelegatingCifFile; +import javax.annotation.Generated; + +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class CifCoreFile extends DelegatingCifFile { public CifCoreFile(CifFile delegate) { super(delegate); diff --git a/src/main/java/org/rcsb/cif/schema/core/CifCoreFileBuilder.java b/src/main/java/org/rcsb/cif/schema/core/CifCoreFileBuilder.java index dd24a99ff..6664b7e74 100644 --- a/src/main/java/org/rcsb/cif/schema/core/CifCoreFileBuilder.java +++ b/src/main/java/org/rcsb/cif/schema/core/CifCoreFileBuilder.java @@ -3,6 +3,9 @@ import org.rcsb.cif.model.builder.CifFileBuilderImpl; import org.rcsb.cif.schema.StandardSchemata; +import javax.annotation.Generated; + +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class CifCoreFileBuilder extends CifFileBuilderImpl { @Override public CifCoreBlockBuilder enterBlock(String blockHeader) { @@ -18,4 +21,4 @@ public CifCoreFile leaveFile() { public CifCoreFile build() { return super.build().as(StandardSchemata.CIF_CORE); } -} +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Citation.java b/src/main/java/org/rcsb/cif/schema/core/Citation.java index ee7a1c730..4d6fc582e 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Citation.java +++ b/src/main/java/org/rcsb/cif/schema/core/Citation.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * Data items in the CITATION category record details about the - * literature cited as being relevant to the contents of the data - * block. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Citation extends DelegatingCategory.DelegatingCifCoreCategory { @@ -32,16 +30,16 @@ public StrColumn getAbstract() { * Chemical Abstracts Service (CAS) abstract identifier. * @return StrColumn */ - public StrColumn getAbstractIdCAS() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_abstract_id_CAS")); + public StrColumn getAbstractIdCas() { + return new DelegatingStrColumn(parentBlock.getColumn("citation_abstract_id_cas")); } /** - * International Standard Book Number (ISBN) for book chap. cited. + * International Standard Book Number (ISBN) for book chapter cited. * @return StrColumn */ - public StrColumn getBookIdISBN() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_book_id_ISBN")); + public StrColumn getBookIdIsbn() { + return new DelegatingStrColumn(parentBlock.getColumn("citation_book_id_isbn")); } /** @@ -93,16 +91,16 @@ public StrColumn getCountry() { * Structural Database containing details of the cited structure. * @return StrColumn */ - public StrColumn getDatabaseIdCSD() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_database_id_CSD")); + public StrColumn getDatabaseIdCsd() { + return new DelegatingStrColumn(parentBlock.getColumn("citation_database_id_csd")); } /** - * i Medline accession number categorizing a bibliographic entry. + * MEDLINE accession number categorizing a bibliographic entry. * @return StrColumn */ public StrColumn getDatabaseIdMedline() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_database_id_Medline")); + return new DelegatingStrColumn(parentBlock.getColumn("citation_database_id_medline")); } /** @@ -115,8 +113,8 @@ public StrColumn getDatabaseIdMedline() { * structured extensible way. A DOI is an implementation * of the Internet concepts of Uniform Resource Name and * Universal Resource Locator managed according to the - * specifications of the International DOI Foundation (see - * http://www.doi.org). + * specifications of the International DOI Foundation + * (see https://www.doi.org/). * @return StrColumn */ public StrColumn getDoi() { @@ -127,7 +125,7 @@ public StrColumn getDoi() { * Unique identifier to the CITATION list. A value of 'primary' * should be used to indicate the citation that the author(s) * consider to be the most pertinent to the contents of the data - * block. Note that this item need not be a number; it can be + * block. Note that this item need not be a number; it can be * any unique identifier. * @return StrColumn */ @@ -158,8 +156,8 @@ public StrColumn getJournalFull() { * the Chemical Abstracts Service); relevant for journal articles. * @return StrColumn */ - public StrColumn getJournalIdASTM() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_journal_id_ASTM")); + public StrColumn getJournalIdAstm() { + return new DelegatingStrColumn(parentBlock.getColumn("citation_journal_id_astm")); } /** @@ -168,29 +166,29 @@ public StrColumn getJournalIdASTM() { * system used at the Protein Data Bank (PDB). * @return StrColumn */ - public StrColumn getJournalIdCSD() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_journal_id_CSD")); + public StrColumn getJournalIdCsd() { + return new DelegatingStrColumn(parentBlock.getColumn("citation_journal_id_csd")); } /** * The International Standard Serial Number (ISSN) code assigned to - * the journal cited; relevant for journal articles. + * the journal cited. Relevant for journal articles. * @return StrColumn */ - public StrColumn getJournalIdISSN() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_journal_id_ISSN")); + public StrColumn getJournalIdIssn() { + return new DelegatingStrColumn(parentBlock.getColumn("citation_journal_id_issn")); } /** - * Issue number of the journal cited; relevant for articles. - * @return IntColumn + * Issue identifier of the journal cited; relevant for articles. + * @return StrColumn */ - public IntColumn getJournalIssue() { - return new DelegatingIntColumn(parentBlock.getColumn("citation_journal_issue")); + public StrColumn getJournalIssue() { + return new DelegatingStrColumn(parentBlock.getColumn("citation_journal_issue")); } /** - * Volume number of the journal cited; relevant for articles. + * Volume number of the journal cited; relevant for articles. * @return IntColumn */ public IntColumn getJournalVolume() { @@ -222,11 +220,10 @@ public StrColumn getPageLast() { } /** - * The name of the publisher of the cited work. This - * should be used for citations of journal articles or - * datasets (in the latter case the publisher could be a - * curated database). For books or book chapters use - * _citation.book_publisher. + * The name of the publisher of the cited work. This should be used + * for citations of journal articles or datasets (in the latter case + * the publisher could be a curated database). For books or book chapters + * use _citation.book_publisher. * @return StrColumn */ public StrColumn getPublisher() { @@ -242,11 +239,22 @@ public StrColumn getTitle() { } /** - * Year of citation; relevant for articles and book chapters. + * The Uniform Resource Locator (URL) of the cited work. + * + * The _citation.DOI data item should be used in preference to this item when + * possible. * @return StrColumn */ - public StrColumn getYear() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_year")); + public StrColumn getUrl() { + return new DelegatingStrColumn(parentBlock.getColumn("citation_url")); + } + + /** + * Year of citation; relevant for articles and book chapters. + * @return IntColumn + */ + public IntColumn getYear() { + return new DelegatingIntColumn(parentBlock.getColumn("citation_year")); } /** diff --git a/src/main/java/org/rcsb/cif/schema/core/CitationAuthor.java b/src/main/java/org/rcsb/cif/schema/core/CitationAuthor.java index bbba48397..070f7a9c5 100644 --- a/src/main/java/org/rcsb/cif/schema/core/CitationAuthor.java +++ b/src/main/java/org/rcsb/cif/schema/core/CitationAuthor.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Category of items describing citation author(s) details. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class CitationAuthor extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,16 +17,7 @@ public CitationAuthor(CifCoreBlock parentBlock) { } /** - * Value is a unique key to a set of CITATION_AUTHOR items - * in a looped list. - * @return StrColumn - */ - public StrColumn getKey() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_author_key")); - } - - /** - * Code identifier in the CITATION data list. The value of must match + * Code identifier in the CITATION data list. The value must match * an identifier specified in the CITATION list. * @return StrColumn */ @@ -38,6 +29,8 @@ public StrColumn getCitationId() { * Name of citation author; relevant for articles and book chapters. * The family name(s), followed by a comma and including any * dynastic components, precedes the first name(s) or initial(s). + * For authors with only one name, provide the full name without + * abbreviation. * @return StrColumn */ public StrColumn getName() { diff --git a/src/main/java/org/rcsb/cif/schema/core/CitationEditor.java b/src/main/java/org/rcsb/cif/schema/core/CitationEditor.java index 19b183b77..f9670b7ae 100644 --- a/src/main/java/org/rcsb/cif/schema/core/CitationEditor.java +++ b/src/main/java/org/rcsb/cif/schema/core/CitationEditor.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Category of items describing citation editor(s) details. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class CitationEditor extends DelegatingCategory.DelegatingCifCoreCategory { @@ -25,15 +25,6 @@ public StrColumn getCitationId() { return new DelegatingStrColumn(parentBlock.getColumn("citation_editor_citation_id")); } - /** - * Value is a unique key to a set of CITATION_EDITOR items - * in a looped list. - * @return StrColumn - */ - public StrColumn getId() { - return new DelegatingStrColumn(parentBlock.getColumn("citation_editor_id")); - } - /** * Name of citation editor; relevant for book chapters. * The family name(s), followed by a comma and including any diff --git a/src/main/java/org/rcsb/cif/schema/core/Computing.java b/src/main/java/org/rcsb/cif/schema/core/Computing.java index ec0f24ac5..1078189eb 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Computing.java +++ b/src/main/java/org/rcsb/cif/schema/core/Computing.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to record details of the - * computer programs used in the crystal structure analysis. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Computing extends DelegatingCategory.DelegatingCifCoreCategory { @@ -41,6 +40,17 @@ public StrColumn getPublicationMaterial() { return new DelegatingStrColumn(parentBlock.getColumn("computing_publication_material")); } + /** + * Reference to software used to track the position of a sample with + * respect to the diffraction source beam. Typically used in 3D + * electron diffraction. More details of the tracking method may be + * provided in _diffrn_measurement.sample_tracking_method. + * @return StrColumn + */ + public StrColumn getSampleTracking() { + return new DelegatingStrColumn(parentBlock.getColumn("computing_sample_tracking")); + } + /** * Brief description of software used for structure refinement. * @return StrColumn diff --git a/src/main/java/org/rcsb/cif/schema/core/Database.java b/src/main/java/org/rcsb/cif/schema/core/Database.java index e04731d39..e818cf591 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Database.java +++ b/src/main/java/org/rcsb/cif/schema/core/Database.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items recording database deposition. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Database extends DelegatingCategory.DelegatingCifCoreCategory { @@ -21,14 +21,14 @@ public Database(CifCoreBlock parentBlock) { * Centre and incorporated into the Cambridge Structural Database (CSD). * @return StrColumn */ - public StrColumn getCSDHistory() { - return new DelegatingStrColumn(parentBlock.getColumn("database_CSD_history")); + public StrColumn getCsdHistory() { + return new DelegatingStrColumn(parentBlock.getColumn("database_csd_history")); } /** * The digital object identifier (DOI) registered to identify * a data set publication associated with the structure - * described in the current datablock. This should be used + * described in the current data block. This should be used * for a dataset obtained from a curated database such as * CSD or PDB. * @@ -39,8 +39,8 @@ public StrColumn getCSDHistory() { * structured extensible way. A DOI is an implementation * of the Internet concepts of Uniform Resource Name and * Universal Resource Locator managed according to the - * specifications of the International DOI Foundation (see - * http://www.doi.org). + * specifications of the International DOI Foundation + * (see https://www.doi.org/). * @return StrColumn */ public StrColumn getDatasetDoi() { @@ -52,16 +52,16 @@ public StrColumn getDatasetDoi() { * Source List maintained by the Chemical Abstracts Service. * @return StrColumn */ - public StrColumn getJournalASTM() { - return new DelegatingStrColumn(parentBlock.getColumn("database_journal_ASTM")); + public StrColumn getJournalAstm() { + return new DelegatingStrColumn(parentBlock.getColumn("database_journal_astm")); } /** * The journal code used in the Cambridge Structural Database. * @return StrColumn */ - public StrColumn getJournalCSD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_journal_CSD")); + public StrColumn getJournalCsd() { + return new DelegatingStrColumn(parentBlock.getColumn("database_journal_csd")); } /** @@ -69,31 +69,31 @@ public StrColumn getJournalCSD() { * @return StrColumn */ public StrColumn getCodeCAS() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_CAS")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_CAS", "database_code_cas")); } /** * Code assigned by the Chemical Abstracts Service. * @return StrColumn */ - public StrColumn getCAS() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_CAS")); + public StrColumn getCas() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_CAS", "database_code_cas")); } /** - * Code assigned by Crystallography Open Database (COD). + * Code assigned by the Crystallography Open Database (COD). * @return StrColumn */ public StrColumn getCodeCOD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_COD")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_COD", "database_code_cod")); } /** - * Code assigned by Crystallography Open Database (COD). + * Code assigned by the Crystallography Open Database (COD). * @return StrColumn */ - public StrColumn getCOD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_COD")); + public StrColumn getCod() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_COD", "database_code_cod")); } /** @@ -101,15 +101,15 @@ public StrColumn getCOD() { * @return StrColumn */ public StrColumn getCodeCSD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_CSD")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_CSD", "database_code_csd")); } /** * Code assigned by the Cambridge Structural Database. * @return StrColumn */ - public StrColumn getCSD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_CSD")); + public StrColumn getCsd() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_CSD", "database_code_csd")); } /** @@ -118,8 +118,8 @@ public StrColumn getCSD() { * archived by the CCDC. * @return StrColumn */ - public StrColumn getCodeDepnumCcdcArchive() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_archive")); + public StrColumn getCodeDepnumCCDCArchive() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_archive", "database_code_depnum_ccdc_archive")); } /** @@ -129,7 +129,7 @@ public StrColumn getCodeDepnumCcdcArchive() { * @return StrColumn */ public StrColumn getDepnumCcdcArchive() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_archive")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_archive", "database_code_depnum_ccdc_archive")); } /** @@ -138,8 +138,8 @@ public StrColumn getDepnumCcdcArchive() { * archived by the Cambridge Crystallographic Data Centre (CCDC). * @return StrColumn */ - public StrColumn getCodeDepnumCcdcFiz() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_fiz")); + public StrColumn getCodeDepnumCCDCFiz() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_fiz", "database_code_depnum_ccdc_fiz")); } /** @@ -149,7 +149,7 @@ public StrColumn getCodeDepnumCcdcFiz() { * @return StrColumn */ public StrColumn getDepnumCcdcFiz() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_fiz")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_fiz", "database_code_depnum_ccdc_fiz")); } /** @@ -158,8 +158,8 @@ public StrColumn getDepnumCcdcFiz() { * Crystallographic Data Centre (CCDC). * @return StrColumn */ - public StrColumn getCodeDepnumCcdcJournal() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_journal")); + public StrColumn getCodeDepnumCCDCJournal() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_journal", "database_code_depnum_ccdc_journal")); } /** @@ -169,7 +169,7 @@ public StrColumn getCodeDepnumCcdcJournal() { * @return StrColumn */ public StrColumn getDepnumCcdcJournal() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_journal")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_journal", "database_code_depnum_ccdc_journal")); } /** @@ -177,15 +177,15 @@ public StrColumn getDepnumCcdcJournal() { * @return StrColumn */ public StrColumn getCodeICSD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_ICSD")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_ICSD", "database_code_icsd")); } /** * Code assigned by the Inorganic Crystal Structure Database. * @return StrColumn */ - public StrColumn getICSD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_ICSD")); + public StrColumn getIcsd() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_ICSD", "database_code_icsd")); } /** @@ -193,15 +193,15 @@ public StrColumn getICSD() { * @return StrColumn */ public StrColumn getCodeMDF() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_MDF")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_MDF", "database_code_mdf")); } /** * Code assigned in the Metals Data File. * @return StrColumn */ - public StrColumn getMDF() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_MDF")); + public StrColumn getMdf() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_MDF", "database_code_mdf")); } /** @@ -209,31 +209,31 @@ public StrColumn getMDF() { * @return StrColumn */ public StrColumn getCodeNBS() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_NBS")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_NBS", "database_code_nbs")); } /** * Code assigned by the NBS (NIST) Crystal Data Database. * @return StrColumn */ - public StrColumn getNBS() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_NBS")); + public StrColumn getNbs() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_NBS", "database_code_nbs")); } /** - * Code assigned by the Protein Data Base. + * Code assigned by the Protein Data Bank. * @return StrColumn */ public StrColumn getCodePDB() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_PDB")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_PDB", "database_code_pdb")); } /** - * Code assigned by the Protein Data Base. + * Code assigned by the Protein Data Bank. * @return StrColumn */ - public StrColumn getPDB() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_PDB")); + public StrColumn getPdb() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_PDB", "database_code_pdb")); } /** @@ -241,15 +241,15 @@ public StrColumn getPDB() { * @return StrColumn */ public StrColumn getCodePDF() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_PDF")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_PDF", "database_code_pdf")); } /** * Code assigned in the Powder Diffraction File. * @return StrColumn */ - public StrColumn getPDF() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_PDF")); + public StrColumn getPdf() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_PDF", "database_code_pdf")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DatabaseCode.java b/src/main/java/org/rcsb/cif/schema/core/DatabaseCode.java index fb85c7452..fd760dcac 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DatabaseCode.java +++ b/src/main/java/org/rcsb/cif/schema/core/DatabaseCode.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items recording database deposition. These data items - * are assigned by database managers and should only appear in a CIF if they - * originate from that source. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DatabaseCode extends DelegatingCategory.DelegatingCifCoreCategory { @@ -18,28 +16,37 @@ public DatabaseCode(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * Code assigned by the Bilbao Modulated Structures Database + * (B-IncStrDB). + * @return StrColumn + */ + public StrColumn getBincstrdb() { + return new DelegatingStrColumn(parentBlock.getColumn("database_code_bincstrdb")); + } + /** * Code assigned by the Chemical Abstracts Service. * @return StrColumn */ - public StrColumn getCAS() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_CAS")); + public StrColumn getCas() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_CAS", "database_code_cas")); } /** - * Code assigned by Crystallography Open Database (COD). + * Code assigned by the Crystallography Open Database (COD). * @return StrColumn */ - public StrColumn getCOD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_COD")); + public StrColumn getCod() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_COD", "database_code_cod")); } /** * Code assigned by the Cambridge Structural Database. * @return StrColumn */ - public StrColumn getCSD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_CSD")); + public StrColumn getCsd() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_CSD", "database_code_csd")); } /** @@ -49,7 +56,7 @@ public StrColumn getCSD() { * @return StrColumn */ public StrColumn getDepnumCcdcArchive() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_archive")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_archive", "database_code_depnum_ccdc_archive")); } /** @@ -59,7 +66,7 @@ public StrColumn getDepnumCcdcArchive() { * @return StrColumn */ public StrColumn getDepnumCcdcFiz() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_fiz")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_fiz", "database_code_depnum_ccdc_fiz")); } /** @@ -69,47 +76,47 @@ public StrColumn getDepnumCcdcFiz() { * @return StrColumn */ public StrColumn getDepnumCcdcJournal() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_depnum_ccdc_journal")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_depnum_CCDC_journal", "database_code_depnum_ccdc_journal")); } /** * Code assigned by the Inorganic Crystal Structure Database. * @return StrColumn */ - public StrColumn getICSD() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_ICSD")); + public StrColumn getIcsd() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_ICSD", "database_code_icsd")); } /** * Code assigned in the Metals Data File. * @return StrColumn */ - public StrColumn getMDF() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_MDF")); + public StrColumn getMdf() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_MDF", "database_code_mdf")); } /** * Code assigned by the NBS (NIST) Crystal Data Database. * @return StrColumn */ - public StrColumn getNBS() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_NBS")); + public StrColumn getNbs() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_NBS", "database_code_nbs")); } /** - * Code assigned by the Protein Data Base. + * Code assigned by the Protein Data Bank. * @return StrColumn */ - public StrColumn getPDB() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_PDB")); + public StrColumn getPdb() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_PDB", "database_code_pdb")); } /** * Code assigned in the Powder Diffraction File. * @return StrColumn */ - public StrColumn getPDF() { - return new DelegatingStrColumn(parentBlock.getColumn("database_code_PDF")); + public StrColumn getPdf() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("database_code_PDF", "database_code_pdf")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DatabaseRelated.java b/src/main/java/org/rcsb/cif/schema/core/DatabaseRelated.java index e853c94ad..e6f46044e 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DatabaseRelated.java +++ b/src/main/java/org/rcsb/cif/schema/core/DatabaseRelated.java @@ -6,10 +6,7 @@ import javax.annotation.Generated; /** - * A category of items recording entries in databases that describe - * the same or related data. Databases wishing to insert their own - * canonical codes when archiving and delivering data blocks should - * use items from the DATABASE category. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DatabaseRelated extends DelegatingCategory.DelegatingCifCoreCategory { @@ -20,16 +17,7 @@ public DatabaseRelated(CifCoreBlock parentBlock) { } /** - * An identifer for this database reference - * @return StrColumn - */ - public StrColumn getId() { - return new DelegatingStrColumn(parentBlock.getColumn("database_related_id")); - } - - /** - * An identifier for the database that contains the - * related dataset. + * An identifier for the database that contains the related dataset. * @return StrColumn */ public StrColumn getDatabaseId() { @@ -46,6 +34,14 @@ public StrColumn getEntryCode() { return new DelegatingStrColumn(parentBlock.getColumn("database_related_entry_code")); } + /** + * An identifier for this database reference. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("database_related_id")); + } + /** * The general relationship of the data in the data block * to the dataset referred to in the database. diff --git a/src/main/java/org/rcsb/cif/schema/core/Diffraction.java b/src/main/java/org/rcsb/cif/schema/core/Diffraction.java deleted file mode 100644 index b8dad6ecd..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/Diffraction.java +++ /dev/null @@ -1,21 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The DICTIONARY group encompassing the CORE DIFFRACTION data items defined - * and used with in the Crystallographic Information Framework (CIF). - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class Diffraction extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "diffraction"; - - public Diffraction(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Diffrn.java b/src/main/java/org/rcsb/cif/schema/core/Diffrn.java index 58a122423..aa5b49130 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Diffrn.java +++ b/src/main/java/org/rcsb/cif/schema/core/Diffrn.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe the diffraction experiment. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Diffrn extends DelegatingCategory.DelegatingCifCoreCategory { @@ -25,7 +25,7 @@ public StrColumn getAmbientEnvironment() { } /** - * Mean hydrostatic pressure at which intensities were measured. + * Mean hydrostatic pressure at which intensities were measured. * @return FloatColumn */ public FloatColumn getAmbientPressure() { @@ -54,6 +54,15 @@ public FloatColumn getAmbientPressureLt() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_ambient_pressure_lt")); } + /** + * Identifier for the crystal from which diffraction data were + * collected. This is a pointer to _exptl_crystal.id. + * @return StrColumn + */ + public StrColumn getCrystalId() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_crystal_id")); + } + /** * The physical device used to support the crystal during data * collection. @@ -72,6 +81,28 @@ public StrColumn getCrystalTreatment() { return new DelegatingStrColumn(parentBlock.getColumn("diffrn_crystal_treatment")); } + /** + * Flux density of radiation incident at the crystal. + * + * Reference: Dickerson, J. L., McCubbin, P. T. N., Brooks-Bartlett, + * J. C. & Garman, E. F. (2024). Doses for X-ray and electron + * diffraction: New features in RADDOSE-3D including intensity decay + * models. Protein Sci. 33, e5005. + * @return FloatColumn + */ + public FloatColumn getFluxDensity() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_flux_density")); + } + + /** + * Unique identifier for a diffraction data set collected under + * particular diffraction conditions. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_id")); + } + /** * Fraction of unique (symmetry-independent) reflections measured * out to _diffrn_reflns.theta_full. @@ -90,6 +121,23 @@ public FloatColumn getMeasuredFractionThetaMax() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_measured_fraction_theta_max")); } + /** + * Angle at the sample of the tilt from the normal direction of a radiation + * beam moved in a precessional scan. + * @return FloatColumn + */ + public FloatColumn getPrecessionSemiAngle() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_precession_semi_angle")); + } + + /** + * Standard uncertainty of _diffrn.precession_semi_angle. + * @return FloatColumn + */ + public FloatColumn getPrecessionSemiAngleSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_precession_semi_angle_su")); + } + /** * Recorded diffraction point symmetry, systematic absences and possible * space group(s) or superspace group(s) compatible with these. @@ -100,8 +148,37 @@ public StrColumn getSymmetryDescription() { } /** - * Standard Uncertainty of the - * Mean hydrostatic pressure at which intensities were measured. + * Total radiation dose absorbed by the crystal during the diffraction + * experiment. + * + * Reference: Dickerson, J. L., McCubbin, P. T. N., Brooks-Bartlett, + * J. C. & Garman, E. F. (2024). Doses for X-ray and electron + * diffraction: New features in RADDOSE-3D including intensity decay + * models. Protein Sci. 33, e5005. + * @return FloatColumn + */ + public FloatColumn getTotalDose() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_total_dose")); + } + + /** + * Standard uncertainty of _diffrn.total_dose. + * @return FloatColumn + */ + public FloatColumn getTotalDoseSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_total_dose_su")); + } + + /** + * Total time the crystal was exposed during the diffraction experiment. + * @return FloatColumn + */ + public FloatColumn getTotalExposureTime() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_total_exposure_time")); + } + + /** + * Standard uncertainty of _diffrn.ambient_pressure. * @return FloatColumn */ public FloatColumn getAmbientPressureEsd() { @@ -109,8 +186,7 @@ public FloatColumn getAmbientPressureEsd() { } /** - * Standard Uncertainty of the - * Mean hydrostatic pressure at which intensities were measured. + * Standard uncertainty of _diffrn.ambient_pressure. * @return FloatColumn */ public FloatColumn getAmbientPressureSu() { @@ -133,6 +209,22 @@ public FloatColumn getAmbientTemperature() { return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_ambient_temp", "diffrn_ambient_temperature")); } + /** + * Standard uncertainty of _diffrn.ambient_temperature. + * @return FloatColumn + */ + public FloatColumn getAmbientTempEsd() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_ambient_temp_esd", "diffrn_ambient_temperature_su")); + } + + /** + * Standard uncertainty of _diffrn.ambient_temperature. + * @return FloatColumn + */ + public FloatColumn getAmbientTemperatureSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_ambient_temp_esd", "diffrn_ambient_temperature_su")); + } + /** * A description of special aspects of temperature control during * data collection. @@ -195,24 +287,6 @@ public FloatColumn getAmbientTemperatureLt() { return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_ambient_temp_lt", "diffrn_ambient_temperature_lt")); } - /** - * Standard Uncertainty of the - * mean temperature at which intensities were measured. - * @return FloatColumn - */ - public FloatColumn getAmbientTempEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_ambient_temp_esd", "diffrn_ambient_temperature_su")); - } - - /** - * Standard Uncertainty of the - * mean temperature at which intensities were measured. - * @return FloatColumn - */ - public FloatColumn getAmbientTemperatureSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_ambient_temp_esd", "diffrn_ambient_temperature_su")); - } - /** * Special details of the diffraction measurement process. Should include * information about source instability, crystal motion, degradation, etc. @@ -320,7 +394,7 @@ public StrColumn getMethod() { } /** - * Mounting method for the crystal specimum during data collection. + * Mounting method for the crystal specimen during data collection. * @return StrColumn */ public StrColumn getMeasurementSpecimenSupport() { @@ -328,7 +402,7 @@ public StrColumn getMeasurementSpecimenSupport() { } /** - * Mounting method for the crystal specimum during data collection. + * Mounting method for the crystal specimen during data collection. * @return StrColumn */ public StrColumn getSpecimenSupport() { diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnAttenuator.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnAttenuator.java index ae892ddcc..8a8de7642 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnAttenuator.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnAttenuator.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the attenuators used in the - * diffraction source. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnAttenuator extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnDetector.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnDetector.java index a56e3d9c5..d9fda1d83 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnDetector.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnDetector.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the detectors used in the - * in the measurement of diffraction intensities. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnDetector extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnMeasurement.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnMeasurement.java index d36d0da6d..ba3cb57c4 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnMeasurement.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnMeasurement.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the details of the - * diffraction measurement. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnMeasurement extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,6 +16,55 @@ public DiffrnMeasurement(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * Yes or no flag indicating if the radiation beam illuminates the sample + * at an angle that is rotated about a precession axis. + * @return StrColumn + */ + public StrColumn getMethodPrecession() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_measurement_method_precession")); + } + + /** + * Code describing the technique used to sample as completely as possible + * the accessible range of reciprocal space. + * @return StrColumn + */ + public StrColumn getRotationMode() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_measurement_rotation_mode")); + } + + /** + * Yes or no flag indicating if a tracking method to follow the + * crystal was used in the data acquisition. Typically used to track + * very small crystals in electron diffraction experiments. + * @return StrColumn + */ + public StrColumn getSampleTracking() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_measurement_sample_tracking")); + } + + /** + * Description of the method used to follow the crystal during data collection. + * @return StrColumn + */ + public StrColumn getSampleTrackingMethod() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_measurement_sample_tracking_method")); + } + + /** + * The way in which the sample is attached to the sample holder, + * including the type of adhesive material used if relevant. The sample + * holder is usually wholly outside the beam, whereas the attachment + * method may cause non-sample material to be illuminated. If the + * attachment method is not included in the list below, 'other' should be + * chosen and details provided in _diffrn_measurement.specimen_support. + * @return StrColumn + */ + public StrColumn getSpecimenAttachmentType() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_measurement_specimen_attachment_type")); + } + /** * Description of special aspects of the diffraction measurement. * @return StrColumn @@ -74,7 +122,7 @@ public StrColumn getMethod() { } /** - * Mounting method for the crystal specimum during data collection. + * Mounting method for the crystal specimen during data collection. * @return StrColumn */ public StrColumn getSpecimenSupport() { diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnOrient.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnOrient.java deleted file mode 100644 index 3301fcfae..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnOrient.java +++ /dev/null @@ -1,21 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The CATEGORY of data items which specify the orientation of the crystal - * axes to the diffractometer goniometer. - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class DiffrnOrient extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "diffrn_orient"; - - public DiffrnOrient(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnOrientMatrix.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnOrientMatrix.java index dfd8a1e07..6087778c9 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnOrientMatrix.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnOrientMatrix.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the matrix specifying the - * orientation of the crystal axes to the diffractometer goniometer. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnOrientMatrix extends DelegatingCategory.DelegatingCifCoreCategory { @@ -31,8 +30,8 @@ public StrColumn getType() { * respect to the diffractometer axes. * @return FloatColumn */ - public FloatColumn getUBIJ() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_matrix_UBIJ")); + public FloatColumn getUbij() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_matrix_ubij")); } /** @@ -41,7 +40,16 @@ public FloatColumn getUBIJ() { * @return FloatColumn */ public FloatColumn getUB11() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][1]", "diffrn_orient_matrix_UB_11")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][1]", "diffrn_orient_matrix_ub_11")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb11() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][1]", "diffrn_orient_matrix_ub_11")); } /** @@ -50,7 +58,16 @@ public FloatColumn getUB11() { * @return FloatColumn */ public FloatColumn getUB12() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][2]", "diffrn_orient_matrix_UB_12")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][2]", "diffrn_orient_matrix_ub_12")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb12() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][2]", "diffrn_orient_matrix_ub_12")); } /** @@ -59,7 +76,16 @@ public FloatColumn getUB12() { * @return FloatColumn */ public FloatColumn getUB13() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][3]", "diffrn_orient_matrix_UB_13")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][3]", "diffrn_orient_matrix_ub_13")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb13() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[1][3]", "diffrn_orient_matrix_ub_13")); } /** @@ -68,7 +94,16 @@ public FloatColumn getUB13() { * @return FloatColumn */ public FloatColumn getUB21() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][1]", "diffrn_orient_matrix_UB_21")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][1]", "diffrn_orient_matrix_ub_21")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb21() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][1]", "diffrn_orient_matrix_ub_21")); } /** @@ -77,7 +112,16 @@ public FloatColumn getUB21() { * @return FloatColumn */ public FloatColumn getUB22() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][2]", "diffrn_orient_matrix_UB_22")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][2]", "diffrn_orient_matrix_ub_22")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb22() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][2]", "diffrn_orient_matrix_ub_22")); } /** @@ -86,7 +130,16 @@ public FloatColumn getUB22() { * @return FloatColumn */ public FloatColumn getUB23() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][3]", "diffrn_orient_matrix_UB_23")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][3]", "diffrn_orient_matrix_ub_23")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb23() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[2][3]", "diffrn_orient_matrix_ub_23")); } /** @@ -95,7 +148,16 @@ public FloatColumn getUB23() { * @return FloatColumn */ public FloatColumn getUB31() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][1]", "diffrn_orient_matrix_UB_31")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][1]", "diffrn_orient_matrix_ub_31")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb31() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][1]", "diffrn_orient_matrix_ub_31")); } /** @@ -104,7 +166,16 @@ public FloatColumn getUB31() { * @return FloatColumn */ public FloatColumn getUB32() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][2]", "diffrn_orient_matrix_UB_32")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][2]", "diffrn_orient_matrix_ub_32")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb32() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][2]", "diffrn_orient_matrix_ub_32")); } /** @@ -113,7 +184,16 @@ public FloatColumn getUB32() { * @return FloatColumn */ public FloatColumn getUB33() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][3]", "diffrn_orient_matrix_UB_33")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][3]", "diffrn_orient_matrix_ub_33")); + } + + /** + * The set of data items which specify the elements of the matrix of + * the orientation of the crystal axes to the diffractometer goniometer. + * @return FloatColumn + */ + public FloatColumn getUb33() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_orient_matrix_UB[3][3]", "diffrn_orient_matrix_ub_33")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnOrientRefln.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnOrientRefln.java index ee1560614..16c067eef 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnOrientRefln.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnOrientRefln.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the reflections used to - * calculate the matrix which gives the orientation of the crystal - * axes to the diffractometer goniometer. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnOrientRefln extends DelegatingCategory.DelegatingCifCoreCategory { @@ -27,6 +25,14 @@ public FloatColumn getAngleChi() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_chi")); } + /** + * Standard uncertainty of _diffrn_orient_refln.angle_chi. + * @return FloatColumn + */ + public FloatColumn getAngleChiSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_chi_su")); + } + /** * Diffractometer angle of a reflection measured at the centre of the * diffraction peak and used to determine _diffrn_orient_matrix.UBIJ. @@ -36,6 +42,14 @@ public FloatColumn getAngleKappa() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_kappa")); } + /** + * Standard uncertainty of _diffrn_orient_refln.angle_kappa. + * @return FloatColumn + */ + public FloatColumn getAngleKappaSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_kappa_su")); + } + /** * Diffractometer angle of a reflection measured at the centre of the * diffraction peak and used to determine _diffrn_orient_matrix.UBIJ. @@ -45,6 +59,14 @@ public FloatColumn getAngleOmega() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_omega")); } + /** + * Standard uncertainty of _diffrn_orient_refln.angle_omega. + * @return FloatColumn + */ + public FloatColumn getAngleOmegaSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_omega_su")); + } + /** * Diffractometer angle of a reflection measured at the centre of the * diffraction peak and used to determine _diffrn_orient_matrix.UBIJ. @@ -54,6 +76,14 @@ public FloatColumn getAnglePhi() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_phi")); } + /** + * Standard uncertainty of _diffrn_orient_refln.angle_phi. + * @return FloatColumn + */ + public FloatColumn getAnglePhiSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_phi_su")); + } + /** * Diffractometer angle of a reflection measured at the centre of the * diffraction peak and used to determine _diffrn_orient_matrix.UBIJ. @@ -63,6 +93,14 @@ public FloatColumn getAnglePsi() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_psi")); } + /** + * Standard uncertainty of _diffrn_orient_refln.angle_psi. + * @return FloatColumn + */ + public FloatColumn getAnglePsiSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_psi_su")); + } + /** * Diffractometer angle of a reflection measured at the centre of the * diffraction peak and used to determine _diffrn_orient_matrix.UBIJ. @@ -72,6 +110,14 @@ public FloatColumn getAngleTheta() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_theta")); } + /** + * Standard uncertainty of _diffrn_orient_refln.angle_theta. + * @return FloatColumn + */ + public FloatColumn getAngleThetaSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_orient_refln_angle_theta_su")); + } + /** * Miller indices of a reflection used to define the orientation matrix. * @return IntColumn diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnRadiation.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnRadiation.java index b972ba29d..3714c72b1 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnRadiation.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnRadiation.java @@ -6,10 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the wavelength of the - * radiation used in measuring diffraction intensities. Items may be - * looped to identify and assign weights to distinct wavelength - * components from a polychromatic beam. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnRadiation extends DelegatingCategory.DelegatingCifCoreCategory { @@ -35,6 +32,18 @@ public FloatColumn getFilterEdge() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_radiation_filter_edge")); } + /** + * Code describing the optical configuration of the incident beam at + * the sample. For electron diffraction, parallel illumination is + * the normal mode in transmission electron microscopy (TEM), + * convergent-beam in scanning transmission electron microscopy + * (STEM). + * @return StrColumn + */ + public StrColumn getIlluminationMode() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_illumination_mode")); + } + /** * Half-width of the incident beam perpendicular to the diffraction plane. * @return FloatColumn @@ -85,7 +94,8 @@ public StrColumn getProbe() { } /** - * Details of the radiation source or energy spectrum. + * DEPRECATED. Use _diffrn_radiation_wavelength.type. Details of the + * radiation source or energy spectrum. * @return StrColumn */ public StrColumn getType() { @@ -93,7 +103,8 @@ public StrColumn getType() { } /** - * IUPAC symbol for the X-ray wavelength for probe radiation. + * DEPRECATED. Use _diffrn_radiation_wavelength.xray_symbol. IUPAC + * symbol for the X-ray wavelength for probe radiation. * @return StrColumn */ public StrColumn getXraySymbol() { @@ -144,22 +155,4 @@ public StrColumn getDetermination() { return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_wavelength_determination")); } - /** - * Code identifying a radiation used in the diffraction measurements. - * This is linked to _diffrn_refln.wavelength_id and _refln.wavelength_id - * @return StrColumn - */ - public StrColumn getWavelengthId() { - return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_wavelength_id")); - } - - /** - * Code identifying a radiation used in the diffraction measurements. - * This is linked to _diffrn_refln.wavelength_id and _refln.wavelength_id - * @return StrColumn - */ - public StrColumn getId() { - return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_wavelength_id")); - } - } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnRadiationWavelength.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnRadiationWavelength.java index 32c3d1b39..46c6b4253 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnRadiationWavelength.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnRadiationWavelength.java @@ -6,10 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the wavelength of the - * radiation used in measuring diffraction intensities. Items may be - * looped to identify and assign weights to distinct wavelength - * components from a polychromatic beam. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnRadiationWavelength extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,6 +16,23 @@ public DiffrnRadiationWavelength(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * Code identifying the radiation used in the diffraction measurements. + * This is linked to _diffrn_refln.wavelength_id and _refln.wavelength_id + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_wavelength_id")); + } + + /** + * Details of the radiation source or energy spectrum. + * @return StrColumn + */ + public StrColumn getType() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_wavelength_type")); + } + /** * Relative intensity of a radiation used in the diffraction measurements. * @return FloatColumn @@ -27,6 +41,14 @@ public FloatColumn getWt() { return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_radiation_wavelength_wt")); } + /** + * IUPAC symbol for the X-ray wavelength for probe radiation. + * @return StrColumn + */ + public StrColumn getXraySymbol() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_wavelength_xray_symbol")); + } + /** * Information about the determination of the radiation * diffrn_radiation_wavelength that is not conveyed completely by an @@ -45,15 +67,6 @@ public StrColumn getDetermination() { return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_wavelength_determination")); } - /** - * Code identifying a radiation used in the diffraction measurements. - * This is linked to _diffrn_refln.wavelength_id and _refln.wavelength_id - * @return StrColumn - */ - public StrColumn getId() { - return new DelegatingStrColumn(parentBlock.getColumn("diffrn_radiation_wavelength_id")); - } - /** * Wavelength of radiation used in diffraction measurements. * @return FloatColumn @@ -71,8 +84,7 @@ public FloatColumn getValue() { } /** - * Standard uncertainty of the wavelength of radiation used in diffraction - * measurements. + * Standard uncertainty of _diffrn_radiation_wavelength.value. * @return FloatColumn */ public FloatColumn getWavelengthSu() { @@ -80,8 +92,7 @@ public FloatColumn getWavelengthSu() { } /** - * Standard uncertainty of the wavelength of radiation used in diffraction - * measurements. + * Standard uncertainty of _diffrn_radiation_wavelength.value. * @return FloatColumn */ public FloatColumn getValueSu() { diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnRefln.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnRefln.java index 01adde67d..4d138dce9 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnRefln.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnRefln.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the reflection measurements, - * prior to data reduction and merging. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnRefln extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,7 +18,7 @@ public DiffrnRefln(CifCoreBlock parentBlock) { /** * Diffractometer angle at which the intensity is measured. This was - * calculated from the specified orientation matrix and the original + * calculated from the specified orientation matrix and the original * measured cell dimensions before any subsequent transformations. * @return FloatColumn */ @@ -29,7 +28,7 @@ public FloatColumn getAngleChi() { /** * Diffractometer angle at which the intensity is measured. This was - * calculated from the specified orientation matrix and the original + * calculated from the specified orientation matrix and the original * measured cell dimensions before any subsequent transformations. * @return FloatColumn */ @@ -39,7 +38,7 @@ public FloatColumn getAngleKappa() { /** * Diffractometer angle at which the intensity is measured. This was - * calculated from the specified orientation matrix and the original + * calculated from the specified orientation matrix and the original * measured cell dimensions before any subsequent transformations. * @return FloatColumn */ @@ -49,7 +48,7 @@ public FloatColumn getAngleOmega() { /** * Diffractometer angle at which the intensity is measured. This was - * calculated from the specified orientation matrix and the original + * calculated from the specified orientation matrix and the original * measured cell dimensions before any subsequent transformations. * @return FloatColumn */ @@ -59,7 +58,7 @@ public FloatColumn getAnglePhi() { /** * Diffractometer angle at which the intensity is measured. This was - * calculated from the specified orientation matrix and the original + * calculated from the specified orientation matrix and the original * measured cell dimensions before any subsequent transformations. * @return FloatColumn */ @@ -69,7 +68,7 @@ public FloatColumn getAnglePsi() { /** * Diffractometer angle at which the intensity is measured. This was - * calculated from the specified orientation matrix and the original + * calculated from the specified orientation matrix and the original * measured cell dimensions before any subsequent transformations. * @return FloatColumn */ @@ -94,10 +93,15 @@ public StrColumn getClassCode() { } /** - * The set of data items which specify the diffractometer counts. - * Background counts before the peak, background after the peak, - * net counts after background removed, counts for peak scan or position, - * and the total counts (background plus peak). + * The measured background scattering on one side of a diffraction + * peak when measuring using a point detector. + * + * Note that counts-per-second values should be converted to + * total counts. + * + * Standard uncertainties should not be quoted for these values. + * If the standard uncertainties differ from the square root of + * the number of counts, _diffrn_refln.intensity_* should be used. * @return IntColumn */ public IntColumn getCountsBg1() { @@ -105,10 +109,16 @@ public IntColumn getCountsBg1() { } /** - * The set of data items which specify the diffractometer counts. - * Background counts before the peak, background after the peak, - * net counts after background removed, counts for peak scan or position, - * and the total counts (background plus peak). + * The measured background counts on the other side of the + * peak to the measurement of _diffrn_refln.counts_bg_1 + * when measuring using a point detector. + * + * Note that counts-per-second values should be converted to + * total counts. + * + * Standard uncertainties should not be quoted for these values. + * If the standard uncertainties differ from the square root of + * the number of counts, _diffrn_refln.intensity_* should be used. * @return IntColumn */ public IntColumn getCountsBg2() { @@ -116,21 +126,41 @@ public IntColumn getCountsBg2() { } /** - * The set of data items which specify the diffractometer counts. - * Background counts before the peak, background after the peak, - * net counts after background removed, counts for peak scan or position, - * and the total counts (background plus peak). - * @return IntColumn + * Counts measured in the reflection peak after background + * subtraction. If background and peak counts were collected + * for different times, the background counts must be scaled to + * the peak counts prior to subtraction. + * + * Note that counts-per-second values should be converted to + * total counts. + * + * The value for this data item must be derived from count values. + * If not, _diffrn_refln.intensity_* should be used. + * @return FloatColumn + */ + public FloatColumn getCountsNet() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_counts_net")); + } + + /** + * Standard uncertainty of _diffrn_refln.counts_net. + * @return FloatColumn */ - public IntColumn getCountsNet() { - return new DelegatingIntColumn(parentBlock.getColumn("diffrn_refln_counts_net")); + public FloatColumn getCountsNetSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_counts_net_su")); } /** - * The set of data items which specify the diffractometer counts. - * Background counts before the peak, background after the peak, - * net counts after background removed, counts for peak scan or position, - * and the total counts (background plus peak). + * Counts measured in the reflection peak before background + * subtraction. That is, the region of interest consists of + * only the diffraction peak. + * + * Note that counts-per-second values should be converted to + * total counts. + * + * Standard uncertainties should not be quoted for these values. + * If the standard uncertainties differ from the square root of + * the number of counts, _diffrn_refln.intensity_* should be used. * @return IntColumn */ public IntColumn getCountsPeak() { @@ -138,10 +168,17 @@ public IntColumn getCountsPeak() { } /** - * The set of data items which specify the diffractometer counts. - * Background counts before the peak, background after the peak, - * net counts after background removed, counts for peak scan or position, - * and the total counts (background plus peak). + * Counts measured in the total reflection including background + * and peak regions. That is, the region of interest consists of the + * diffraction peak and an area of background immediately surrounding + * the peak of interest. + * + * Note that counts-per-second values should be converted to + * total counts. + * + * Standard uncertainties should not be quoted for these values. + * If the standard uncertainties differ from the square root of + * the number of counts, _diffrn_refln.intensity_* should be used. * @return IntColumn */ public IntColumn getCountsTotal() { @@ -182,6 +219,17 @@ public IntColumn getHkl() { return new DelegatingIntColumn(parentBlock.getColumn("diffrn_refln_hkl")); } + /** + * _diffrn_refln.id must uniquely identify the reflection. + * + * Note that this item need not be a number; it can be any unique + * identifier. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_refln_id")); + } + /** * The index of a reciprocal space vector. * @return IntColumn @@ -207,8 +255,54 @@ public IntColumn getIndexL() { } /** - * Net intensity calculated from the diffraction counts after the - * attenuator and standard scales have been applied. + * The measured background intensity on one side of a diffraction + * peak when measuring using a point detector. + * + * Use these entries for measurements where intensity values are not + * counts (use _diffrn_refln.counts_* for event-counting measurements + * where the standard uncertainty is estimated as the square root of + * the number of counts). + * @return FloatColumn + */ + public FloatColumn getIntensityBg1() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_intensity_bg_1")); + } + + /** + * Standard uncertainty of _diffrn_refln.intensity_bg_1. + * @return FloatColumn + */ + public FloatColumn getIntensityBg1Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_intensity_bg_1_su")); + } + + /** + * The measured background counts on the other side of the + * peak to the measurement of _diffrn_refln.intensity_bg_1 + * when measuring using a point detector. + * + * Use these entries for measurements where intensity values are not + * counts (use _diffrn_refln.counts_* for event-counting measurements + * where the standard uncertainty is estimated as the square root of + * the number of counts). + * @return FloatColumn + */ + public FloatColumn getIntensityBg2() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_intensity_bg_2")); + } + + /** + * Standard uncertainty of _diffrn_refln.intensity_bg_2. + * @return FloatColumn + */ + public FloatColumn getIntensityBg2Su() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_intensity_bg_2_su")); + } + + /** + * Net intensity in the reflection peak calculated from the + * diffraction counts after the attenuator and standard scales + * have been applied. * @return FloatColumn */ public FloatColumn getIntensityNet() { @@ -216,7 +310,55 @@ public FloatColumn getIntensityNet() { } /** - * Code identifying the scale applying to this reflection. + * Intensity measured in the reflection peak before background + * subtraction. That is, the region of interest consists of + * only the diffraction peak. + * + * Use these entries for measurements where intensity values are not + * counts (use _diffrn_refln.counts_* for event-counting measurements + * where the standard uncertainty is estimated as the square root of + * the number of counts). + * @return FloatColumn + */ + public FloatColumn getIntensityPeak() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_intensity_peak")); + } + + /** + * Standard uncertainty of _diffrn_refln.intensity_peak. + * @return FloatColumn + */ + public FloatColumn getIntensityPeakSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_intensity_peak_su")); + } + + /** + * Intensity measured in the total reflection including background + * and peak regions. That is, the region of interest consists of the + * diffraction peak and an area of background immediately surrounding + * the peak of interest. + * + * Use these entries for measurements where intensity values are not + * counts (use _diffrn_refln.counts_* for event-counting measurements + * where the standard uncertainty is estimated as the square root of + * the number of counts). + * @return FloatColumn + */ + public FloatColumn getIntensityTotal() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_intensity_total")); + } + + /** + * Standard uncertainty of _diffrn_refln.intensity_total. + * @return FloatColumn + */ + public FloatColumn getIntensityTotalSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_refln_intensity_total_su")); + } + + /** + * Code identifying the scale applying to this reflection. The code must match + * a _diffrn_scale_group.code in the DIFFRN_SCALE_GROUP list. * @return StrColumn */ public StrColumn getScaleGroupCode() { @@ -225,7 +367,7 @@ public StrColumn getScaleGroupCode() { /** * Code identifying the mode of scanning with a diffractometer. - * See also _diffrn_refln.scan_width and _diffrn_refln.scan_mode_backgd. + * See also _diffrn_refln.scan_width and _diffrn_refln.scan_mode_backgd. * @return StrColumn */ public StrColumn getScanMode() { @@ -266,8 +408,8 @@ public FloatColumn getScanWidth() { /** * Code identifying reflections measured repeated as standard intensity. - * Must match a _diffrn_standard_refln.code values OR set to '.' if - * it was not used as a intensity standard. + * Must match a _diffrn_standard_refln.code value or set to '.' if + * it was not used as an intensity standard. * @return StrColumn */ public StrColumn getStandardCode() { @@ -291,9 +433,7 @@ public StrColumn getWavelengthId() { } /** - * Standard uncertainty of the net intensity calculated from the - * diffraction counts after the attenuator and standard scales - * have been applied. + * Standard uncertainty of _diffrn_refln.intensity_net. * @return FloatColumn */ public FloatColumn getIntensitySigma() { @@ -301,9 +441,7 @@ public FloatColumn getIntensitySigma() { } /** - * Standard uncertainty of the net intensity calculated from the - * diffraction counts after the attenuator and standard scales - * have been applied. + * Standard uncertainty of _diffrn_refln.intensity_net. * @return FloatColumn */ public FloatColumn getIntensityU() { @@ -311,9 +449,7 @@ public FloatColumn getIntensityU() { } /** - * Standard uncertainty of the net intensity calculated from the - * diffraction counts after the attenuator and standard scales - * have been applied. + * Standard uncertainty of _diffrn_refln.intensity_net. * @return FloatColumn */ public FloatColumn getIntensityNetSu() { @@ -321,7 +457,7 @@ public FloatColumn getIntensityNetSu() { } /** - * (sin theta)/lambda value for this reflection. + * sin(θ)/λ value for this reflection. * @return FloatColumn */ public FloatColumn getSintOverLambda() { @@ -329,7 +465,7 @@ public FloatColumn getSintOverLambda() { } /** - * (sin theta)/lambda value for this reflection. + * sin(θ)/λ value for this reflection. * @return FloatColumn */ public FloatColumn getSinThetaOverLambda() { diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnReflns.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnReflns.java index b9bb54499..e6ad3eea3 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnReflns.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnReflns.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the overall reflection - * measurement information. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnReflns extends DelegatingCategory.DelegatingCifCoreCategory { @@ -25,7 +24,7 @@ public DiffrnReflns(CifCoreBlock parentBlock) { * @return FloatColumn */ public FloatColumn getAvREquivalents() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_av_R_equivalents")); + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_av_r_equivalents")); } /** @@ -41,11 +40,11 @@ public FloatColumn getAvREquivalents() { * @return FloatColumn */ public FloatColumn getLaueMeasuredFractionFull() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_Laue_measured_fraction_full")); + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_laue_measured_fraction_full")); } /** - * Fraction of Laue-group unique reflections (symmetry-independent in + * Fraction of Laue group unique reflections (symmetry-independent in * the Laue group) measured out to the resolution given in * _diffrn_reflns.resolution_max or _diffrn_reflns.theta_max. * The Laue group always contains a centre of symmetry so that the @@ -54,7 +53,7 @@ public FloatColumn getLaueMeasuredFractionFull() { * @return FloatColumn */ public FloatColumn getLaueMeasuredFractionMax() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_Laue_measured_fraction_max")); + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_laue_measured_fraction_max")); } /** @@ -107,18 +106,18 @@ public IntColumn getLimitLMin() { /** * Maximum Miller indices of measured diffraction reflections. - * @return FloatColumn + * @return IntColumn */ - public FloatColumn getLimitMax() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_limit_max")); + public IntColumn getLimitMax() { + return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_limit_max")); } /** - * Minimum Miller indices of meas.ued diffraction reflections. - * @return FloatColumn + * Minimum Miller indices of measured diffraction reflections. + * @return IntColumn */ - public FloatColumn getLimitMin() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_limit_min")); + public IntColumn getLimitMin() { + return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_limit_min")); } /** @@ -190,7 +189,7 @@ public FloatColumn getResolutionMax() { /** * Theta angle at which the count of measured reflections is almost - * complete. The fraction of unique reflections measured out to + * complete. The fraction of unique reflections measured out to * this angle is given by _diffrn.measured_fraction_theta_full. * @return FloatColumn */ @@ -199,7 +198,7 @@ public FloatColumn getThetaFull() { } /** - * Maximum theta angle of the measured reflections. + * Maximum θ angle of the measured reflections. * @return FloatColumn */ public FloatColumn getThetaMax() { @@ -207,7 +206,7 @@ public FloatColumn getThetaMax() { } /** - * Minimum theta angle of the measured reflections. + * Minimum θ angle of the measured reflections. * @return FloatColumn */ public FloatColumn getThetaMin() { @@ -219,7 +218,7 @@ public FloatColumn getThetaMin() { * @return FloatColumn */ public FloatColumn getAvUnetI_netI() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_sunetI_over_netI")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_suneti_over_neti")); } /** @@ -227,15 +226,15 @@ public FloatColumn getAvUnetI_netI() { * @return FloatColumn */ public FloatColumn getAvSigmaIOverNetI() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_sunetI_over_netI")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_suneti_over_neti")); } /** * Recorded [sum |su(netI)| / sum |netI|] for all measured reflections. * @return FloatColumn */ - public FloatColumn getAvSunetIOverNetI() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_sunetI_over_netI")); + public FloatColumn getAvSunetiOverNeti() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_suneti_over_neti")); } /** diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnReflnsClass.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnReflnsClass.java index fd8aba520..270dd97aa 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnReflnsClass.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnReflnsClass.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify different classes of - * reflections in the raw measured diffraction data. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnReflnsClass extends DelegatingCategory.DelegatingCifCoreCategory { @@ -25,7 +24,7 @@ public DiffrnReflnsClass(CifCoreBlock parentBlock) { * @return FloatColumn */ public FloatColumn getAvREq() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_class_av_R_eq")); + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_class_av_r_eq")); } /** @@ -74,7 +73,7 @@ public IntColumn getNumber() { * @return FloatColumn */ public FloatColumn getAvUI_I() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_class_av_uI/I", "diffrn_reflns_class_av_sgI/I", "diffrn_reflns_class_av_suI_over_I")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_class_av_uI/I", "diffrn_reflns_class_av_sgI/I", "diffrn_reflns_class_av_sui_over_i")); } /** @@ -82,15 +81,15 @@ public FloatColumn getAvUI_I() { * @return FloatColumn */ public FloatColumn getAvSgI_I() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_class_av_uI/I", "diffrn_reflns_class_av_sgI/I", "diffrn_reflns_class_av_suI_over_I")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_class_av_uI/I", "diffrn_reflns_class_av_sgI/I", "diffrn_reflns_class_av_sui_over_i")); } /** * Recorded [sum|su(net I)|/sum|net I|] in a reflection class. * @return FloatColumn */ - public FloatColumn getAvSuIOverI() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_class_av_uI/I", "diffrn_reflns_class_av_sgI/I", "diffrn_reflns_class_av_suI_over_I")); + public FloatColumn getAvSuiOverI() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_class_av_uI/I", "diffrn_reflns_class_av_sgI/I", "diffrn_reflns_class_av_sui_over_i")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnReflnsTransfMatrix.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnReflnsTransfMatrix.java index 7c8218e42..bf3dfeb50 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnReflnsTransfMatrix.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnReflnsTransfMatrix.java @@ -6,12 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the elements of the matrix - * used to transform the reflection indices _diffrn_refln.hkl - * into _refln.hkl. - * |11 12 13| - * (h k l) diffraction |21 22 23| = (h' k' l') - * |31 32 33| + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnReflnsTransfMatrix extends DelegatingCategory.DelegatingCifCoreCategory { @@ -29,8 +24,8 @@ public DiffrnReflnsTransfMatrix(CifCoreBlock parentBlock) { * |31 32 33| * @return FloatColumn */ - public FloatColumn getTIJ() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_transf_matrix_TIJ")); + public FloatColumn getTij() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_transf_matrix_tij")); } /** diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnScaleGroup.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnScaleGroup.java index b1588bc6a..215d6cf82 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnScaleGroup.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnScaleGroup.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the groups of reflections in - * the raw measured diffraction data with different relative scales. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnScaleGroup extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,8 +18,7 @@ public DiffrnScaleGroup(CifCoreBlock parentBlock) { /** * Code identifying a specific scale group of reflections (e.g. for - * multi-film or multi-crystal data). The code must match a - * _diffrn_refln.scale_group_code in the DIFFRN_REFLN list. + * multi-film or multi-crystal data). * @return StrColumn */ public StrColumn getCode() { @@ -28,12 +26,20 @@ public StrColumn getCode() { } /** - * Scale for a specific measurement group of eflections. Is multiplied + * Scale for a specific measurement group of reflections. Is multiplied * with the net intensity to place all intensities on a common scale. * @return FloatColumn */ public FloatColumn getINet() { - return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_scale_group_I_net")); + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_scale_group_i_net")); + } + + /** + * Standard uncertainty of _diffrn_scale_group.I_net. + * @return FloatColumn + */ + public FloatColumn getINetSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_scale_group_i_net_su")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnSource.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnSource.java index 1b40a9556..b903aeeed 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnSource.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnSource.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify information about the - * radiation source. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnSource extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,6 +16,28 @@ public DiffrnSource(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * The name of the beamline at the synchrotron or other + * large-scale experimental facility at which the experiment + * was conducted. + * @return StrColumn + */ + public StrColumn getBeamline() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_source_beamline")); + } + + /** + * The angle of convergence of the source beam (for example in + * convergent-beam electron diffraction). The convergence angle + * is the angular spread of the cone of illumination (i.e. 2α, + * where the semi-angle α is measured from the axis defining the + * beam direction). + * @return FloatColumn + */ + public FloatColumn getConvergenceAngle() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_source_convergence_angle")); + } + /** * Generator current at which the radiation source device was operated. * @return FloatColumn @@ -26,7 +47,8 @@ public FloatColumn getCurrent() { } /** - * A description of special aspects of the source. + * A description of special aspects of the source not covered by + * other data items. * @return StrColumn */ public StrColumn getDetails() { @@ -41,6 +63,29 @@ public StrColumn getDevice() { return new DelegatingStrColumn(parentBlock.getColumn("diffrn_source_device")); } + /** + * Enumerated code for the technique in electron diffraction used to + * select the region of the sample from which the diffraction pattern + * is obtained. + * @return StrColumn + */ + public StrColumn getEdDiffractingAreaSelection() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_source_ed_diffracting_area_selection")); + } + + /** + * The name of the synchrotron or other large-scale + * experimental facility at which the experiment was + * conducted. Names should conform to the spelling and + * format used in the 'Light Sources of the World' listing + * of lightsources.org + * (https://lightsources.org/lightsources-of-the-world/) + * @return StrColumn + */ + public StrColumn getFacility() { + return new DelegatingStrColumn(parentBlock.getColumn("diffrn_source_facility")); + } + /** * Generator power at which the radiation source device was operated. * @return FloatColumn @@ -94,6 +139,8 @@ public StrColumn getDescription() { /** * Description of the make, model or name of the source device. + * Large scale facilities should use _diffrn_source.facility and + * _diffrn_source.beamline to identify the source of radiation. * @return StrColumn */ public StrColumn getType() { @@ -102,6 +149,8 @@ public StrColumn getType() { /** * Description of the make, model or name of the source device. + * Large scale facilities should use _diffrn_source.facility and + * _diffrn_source.beamline to identify the source of radiation. * @return StrColumn */ public StrColumn getMake() { diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnStandard.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnStandard.java deleted file mode 100644 index 735d98f77..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnStandard.java +++ /dev/null @@ -1,105 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The CATEGORY of data items which specify information about the - * standard reflections used in the diffraction measurement process. - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class DiffrnStandard extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "diffrn_standard"; - - public DiffrnStandard(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - /** - * The percentage decrease in the mean of the intensities for the - * standard reflections at the start to the finish of the measurement - * process. This value affords a measure of the overall decay in - * crystal quality during measurement. Negative values only occur in - * exceptional instances where the final intensities are greater than - * the initial ones. If no measurable decay has occurred, the - * standard uncertainty should be quoted to indicate the maximum - * possible value the decay might have. A range of 3 standard - * uncertainties is considered possible. Thus 0.0(1) would indicate - * a decay of less than 0.3% or an enhancement of less than 0.3%. - * @return FloatColumn - */ - public FloatColumn getDecay() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_decay_%", "diffrn_standard_decay_percent")); - } - - /** - * The percentage decrease in the mean of the intensities for the - * standard reflections at the start to the finish of the measurement - * process. This value affords a measure of the overall decay in - * crystal quality during measurement. Negative values only occur in - * exceptional instances where the final intensities are greater than - * the initial ones. If no measurable decay has occurred, the - * standard uncertainty should be quoted to indicate the maximum - * possible value the decay might have. A range of 3 standard - * uncertainties is considered possible. Thus 0.0(1) would indicate - * a decay of less than 0.3% or an enhancement of less than 0.3%. - * @return FloatColumn - */ - public FloatColumn getDecayPercent() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_decay_%", "diffrn_standard_decay_percent")); - } - - /** - * Reflection count between the standard reflection measurements. - * @return IntColumn - */ - public IntColumn getIntervalCount() { - return new DelegatingIntColumn(parentBlock.getAliasedColumn("diffrn_standards_interval_count", "diffrn_standard_interval_count")); - } - - /** - * Time between the standard reflection measurements. - * @return FloatColumn - */ - public FloatColumn getIntervalTime() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_interval_time", "diffrn_standard_interval_time")); - } - - /** - * Number of unique standard reflections used in measurements. - * @return IntColumn - */ - public IntColumn getNumber() { - return new DelegatingIntColumn(parentBlock.getAliasedColumn("diffrn_standards_number", "diffrn_standard_number")); - } - - /** - * The average standard uncertainty of the individual standard scales - * applied to the intensity data. - * @return FloatColumn - */ - public FloatColumn getScaleSigma() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_scale_sigma", "diffrn_standards_scale_u", "diffrn_standard_scale_su_average")); - } - - /** - * The average standard uncertainty of the individual standard scales - * applied to the intensity data. - * @return FloatColumn - */ - public FloatColumn getScaleU() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_scale_sigma", "diffrn_standards_scale_u", "diffrn_standard_scale_su_average")); - } - - /** - * The average standard uncertainty of the individual standard scales - * applied to the intensity data. - * @return FloatColumn - */ - public FloatColumn getScaleSuAverage() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_scale_sigma", "diffrn_standards_scale_u", "diffrn_standard_scale_su_average")); - } - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnStandardRefln.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnStandardRefln.java index 1cfb52087..6e42728cb 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnStandardRefln.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnStandardRefln.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the "standard" reflections - * measured repeatedly to monitor variations in intensity due to source - * flux, environment conditions or crystal quality. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DiffrnStandardRefln extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/DiffrnStandards.java b/src/main/java/org/rcsb/cif/schema/core/DiffrnStandards.java index df4fd9fc6..385b67097 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DiffrnStandards.java +++ b/src/main/java/org/rcsb/cif/schema/core/DiffrnStandards.java @@ -17,20 +17,11 @@ public DiffrnStandards(CifCoreBlock parentBlock) { } /** - * The percentage decrease in the mean of the intensities for the - * standard reflections at the start to the finish of the measurement - * process. This value affords a measure of the overall decay in - * crystal quality during measurement. Negative values only occur in - * exceptional instances where the final intensities are greater than - * the initial ones. If no measurable decay has occurred, the - * standard uncertainty should be quoted to indicate the maximum - * possible value the decay might have. A range of 3 standard - * uncertainties is considered possible. Thus 0.0(1) would indicate - * a decay of less than 0.3% or an enhancement of less than 0.3%. + * Standard uncertainty of _diffrn_standards.decay_percent. * @return FloatColumn */ - public FloatColumn getDecay() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_decay_%", "diffrn_standard_decay_percent")); + public FloatColumn getDecayPercentSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_standards_decay_percent_su")); } /** @@ -38,7 +29,7 @@ public FloatColumn getDecay() { * @return IntColumn */ public IntColumn getIntervalCount() { - return new DelegatingIntColumn(parentBlock.getAliasedColumn("diffrn_standards_interval_count", "diffrn_standard_interval_count")); + return new DelegatingIntColumn(parentBlock.getColumn("diffrn_standards_interval_count")); } /** @@ -46,7 +37,7 @@ public IntColumn getIntervalCount() { * @return FloatColumn */ public FloatColumn getIntervalTime() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_interval_time", "diffrn_standard_interval_time")); + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_standards_interval_time")); } /** @@ -54,7 +45,49 @@ public FloatColumn getIntervalTime() { * @return IntColumn */ public IntColumn getNumber() { - return new DelegatingIntColumn(parentBlock.getAliasedColumn("diffrn_standards_number", "diffrn_standard_number")); + return new DelegatingIntColumn(parentBlock.getColumn("diffrn_standards_number")); + } + + /** + * Standard uncertainty of _diffrn_standards.scale_su_average. + * @return FloatColumn + */ + public FloatColumn getScaleSuAverageSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_standards_scale_su_average_su")); + } + + /** + * The percentage decrease in the mean of the intensities for the + * standard reflections at the start to the finish of the measurement + * process. This value affords a measure of the overall decay in + * crystal quality during measurement. Negative values only occur in + * exceptional instances where the final intensities are greater than + * the initial ones. If no measurable decay has occurred, the + * standard uncertainty should be quoted to indicate the maximum + * possible value the decay might have. A range of 3 standard + * uncertainties is considered possible. Thus 0.0(1) would indicate + * a decay of less than 0.3% or an enhancement of less than 0.3%. + * @return FloatColumn + */ + public FloatColumn getDecay() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_decay_%", "diffrn_standards_decay_percent")); + } + + /** + * The percentage decrease in the mean of the intensities for the + * standard reflections at the start to the finish of the measurement + * process. This value affords a measure of the overall decay in + * crystal quality during measurement. Negative values only occur in + * exceptional instances where the final intensities are greater than + * the initial ones. If no measurable decay has occurred, the + * standard uncertainty should be quoted to indicate the maximum + * possible value the decay might have. A range of 3 standard + * uncertainties is considered possible. Thus 0.0(1) would indicate + * a decay of less than 0.3% or an enhancement of less than 0.3%. + * @return FloatColumn + */ + public FloatColumn getDecayPercent() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_decay_%", "diffrn_standards_decay_percent")); } /** @@ -63,7 +96,7 @@ public IntColumn getNumber() { * @return FloatColumn */ public FloatColumn getScaleSigma() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_scale_sigma", "diffrn_standards_scale_u", "diffrn_standard_scale_su_average")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_scale_sigma", "diffrn_standards_scale_u", "diffrn_standards_scale_su_average")); } /** @@ -72,7 +105,16 @@ public FloatColumn getScaleSigma() { * @return FloatColumn */ public FloatColumn getScaleU() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_scale_sigma", "diffrn_standards_scale_u", "diffrn_standard_scale_su_average")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_scale_sigma", "diffrn_standards_scale_u", "diffrn_standards_scale_su_average")); + } + + /** + * The average standard uncertainty of the individual standard scales + * applied to the intensity data. + * @return FloatColumn + */ + public FloatColumn getScaleSuAverage() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_standards_scale_sigma", "diffrn_standards_scale_u", "diffrn_standards_scale_su_average")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Display.java b/src/main/java/org/rcsb/cif/schema/core/Display.java deleted file mode 100644 index 91adb301b..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/Display.java +++ /dev/null @@ -1,21 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The CATEGORY of data items used to enumerate the display - * parameters used in the discipline. - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class Display extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "display"; - - public Display(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/DisplayColour.java b/src/main/java/org/rcsb/cif/schema/core/DisplayColour.java index 0e93e1db4..2bbb723e4 100644 --- a/src/main/java/org/rcsb/cif/schema/core/DisplayColour.java +++ b/src/main/java/org/rcsb/cif/schema/core/DisplayColour.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to enumerate the display - * colour codes used in the discipline. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class DisplayColour extends DelegatingCategory.DelegatingCifCoreCategory { @@ -59,8 +58,8 @@ public IntColumn getRed() { * The red-green-blue intensities, bases 256, for each colour code. * @return IntColumn */ - public IntColumn getRGB() { - return new DelegatingIntColumn(parentBlock.getColumn("display_colour_RGB")); + public IntColumn getRgb() { + return new DelegatingIntColumn(parentBlock.getColumn("display_colour_rgb")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Exptl.java b/src/main/java/org/rcsb/cif/schema/core/Exptl.java index 12ffae262..eb5b5ae1d 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Exptl.java +++ b/src/main/java/org/rcsb/cif/schema/core/Exptl.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify the experimental work - * prior to diffraction measurements. These include crystallization - * crystal measurements and absorption-correction techniques used.. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Exptl extends DelegatingCategory.DelegatingCifCoreCategory { @@ -55,6 +53,14 @@ public FloatColumn getTransmissionFactorMax() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_transmission_factor_max")); } + /** + * Standard uncertainty of _exptl.transmission_factor_max. + * @return FloatColumn + */ + public FloatColumn getTransmissionFactorMaxSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_transmission_factor_max_su")); + } + /** * The calculated minimum value of the transmission factor for * the specimen. Its value does not include the effects of @@ -68,6 +74,14 @@ public FloatColumn getTransmissionFactorMin() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_transmission_factor_min")); } + /** + * Standard uncertainty of _exptl.transmission_factor_min. + * @return FloatColumn + */ + public FloatColumn getTransmissionFactorMinSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_transmission_factor_min_su")); + } + /** * Details of the experiment prior to intensity measurement. * See also _exptl_crystal.preparation @@ -87,7 +101,7 @@ public StrColumn getSpecialDetails() { } /** - * Absorption coefficient mu calculated from the atomic content of + * Linear absorption coefficient, μ, calculated from the atomic content of * the cell, the density and the radiation wavelength. * @return FloatColumn */ @@ -96,7 +110,7 @@ public FloatColumn getAbsorptCoefficientMu() { } /** - * Absorption coefficient mu calculated from the atomic content of + * Linear absorption coefficient, μ, calculated from the atomic content of * the cell, the density and the radiation wavelength. * @return FloatColumn */ @@ -116,7 +130,7 @@ public FloatColumn getCoefficientMu() { * @return FloatColumn */ public FloatColumn getAbsorptCorrectionTMax() { - return new DelegatingFloatColumn(parentBlock.getColumn("exptl_absorpt_correction_T_max")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_absorpt_correction_T_max", "exptl_absorpt_correction_t_max")); } /** @@ -131,43 +145,43 @@ public FloatColumn getAbsorptCorrectionTMax() { * @return FloatColumn */ public FloatColumn getCorrectionTMax() { - return new DelegatingFloatColumn(parentBlock.getColumn("exptl_absorpt_correction_T_max")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_absorpt_correction_T_max", "exptl_absorpt_correction_t_max")); } /** - * Maximum transmission factor for the crystal and radiation applied + * Minimum transmission factor for the crystal and radiation applied * to the measured intensities, it includes the correction for * absorption by the specimen mount and diffractometer as well * as by the specimen itself. These values give the transmission (T) * factor by which measured intensities have been REDUCED due to - * absorption. Sometimes referred to as absorption correction A ori + * absorption. Sometimes referred to as absorption correction A or * 1/A* (see "Crystal Structure Analysis for Chemists and Biologists" * by J.P. Glusker et al., Wiley) * @return FloatColumn */ public FloatColumn getAbsorptCorrectionTMin() { - return new DelegatingFloatColumn(parentBlock.getColumn("exptl_absorpt_correction_T_min")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_absorpt_correction_T_min", "exptl_absorpt_correction_t_min")); } /** - * Maximum transmission factor for the crystal and radiation applied + * Minimum transmission factor for the crystal and radiation applied * to the measured intensities, it includes the correction for * absorption by the specimen mount and diffractometer as well * as by the specimen itself. These values give the transmission (T) * factor by which measured intensities have been REDUCED due to - * absorption. Sometimes referred to as absorption correction A ori + * absorption. Sometimes referred to as absorption correction A or * 1/A* (see "Crystal Structure Analysis for Chemists and Biologists" * by J.P. Glusker et al., Wiley) * @return FloatColumn */ public FloatColumn getCorrectionTMin() { - return new DelegatingFloatColumn(parentBlock.getColumn("exptl_absorpt_correction_T_min")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_absorpt_correction_T_min", "exptl_absorpt_correction_t_min")); } /** * Code identifying the absorption correction type and method. * The 'empirical' approach should NOT be used if more detailed - * information on the crystal shape is available. + * information on the crystal shape is available. * @return StrColumn */ public StrColumn getAbsorptCorrectionType() { @@ -177,7 +191,7 @@ public StrColumn getAbsorptCorrectionType() { /** * Code identifying the absorption correction type and method. * The 'empirical' approach should NOT be used if more detailed - * information on the crystal shape is available. + * information on the crystal shape is available. * @return StrColumn */ public StrColumn getCorrectionType() { diff --git a/src/main/java/org/rcsb/cif/schema/core/ExptlAbsorpt.java b/src/main/java/org/rcsb/cif/schema/core/ExptlAbsorpt.java index 316f6b537..596fe3b9c 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ExptlAbsorpt.java +++ b/src/main/java/org/rcsb/cif/schema/core/ExptlAbsorpt.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify the experimental details - * of the absorption measurements and corrections to the diffraction - * data. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ExptlAbsorpt extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,7 +17,25 @@ public ExptlAbsorpt(CifCoreBlock parentBlock) { } /** - * Absorption coefficient mu calculated from the atomic content of + * Standard uncertainty of _exptl_absorpt.coefficient_mu. + * @return FloatColumn + */ + public FloatColumn getCoefficientMuSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_absorpt_coefficient_mu_su")); + } + + /** + * Details of the absorption correction process applied to the + * measured intensities that cannot otherwise be given using + * other data items from the EXPTL_ABSORPT category. + * @return StrColumn + */ + public StrColumn getSpecialDetails() { + return new DelegatingStrColumn(parentBlock.getColumn("exptl_absorpt_special_details")); + } + + /** + * Linear absorption coefficient, μ, calculated from the atomic content of * the cell, the density and the radiation wavelength. * @return FloatColumn */ @@ -39,28 +55,28 @@ public FloatColumn getCoefficientMu() { * @return FloatColumn */ public FloatColumn getCorrectionTMax() { - return new DelegatingFloatColumn(parentBlock.getColumn("exptl_absorpt_correction_T_max")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_absorpt_correction_T_max", "exptl_absorpt_correction_t_max")); } /** - * Maximum transmission factor for the crystal and radiation applied + * Minimum transmission factor for the crystal and radiation applied * to the measured intensities, it includes the correction for * absorption by the specimen mount and diffractometer as well * as by the specimen itself. These values give the transmission (T) * factor by which measured intensities have been REDUCED due to - * absorption. Sometimes referred to as absorption correction A ori + * absorption. Sometimes referred to as absorption correction A or * 1/A* (see "Crystal Structure Analysis for Chemists and Biologists" * by J.P. Glusker et al., Wiley) * @return FloatColumn */ public FloatColumn getCorrectionTMin() { - return new DelegatingFloatColumn(parentBlock.getColumn("exptl_absorpt_correction_T_min")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_absorpt_correction_T_min", "exptl_absorpt_correction_t_min")); } /** * Code identifying the absorption correction type and method. * The 'empirical' approach should NOT be used if more detailed - * information on the crystal shape is available. + * information on the crystal shape is available. * @return StrColumn */ public StrColumn getCorrectionType() { diff --git a/src/main/java/org/rcsb/cif/schema/core/ExptlCrystal.java b/src/main/java/org/rcsb/cif/schema/core/ExptlCrystal.java index fba4cd91e..bcf7f53ef 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ExptlCrystal.java +++ b/src/main/java/org/rcsb/cif/schema/core/ExptlCrystal.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify information about - * crystals used in the diffraction measurements. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ExptlCrystal extends DelegatingCategory.DelegatingCifCoreCategory { @@ -18,8 +17,10 @@ public ExptlCrystal(CifCoreBlock parentBlock) { } /** - * Colour description of a crystal as a list of the allowed - * exptl_crystal_appearance states for general, intensity and hue. + * Colour description of the crystal. + * + * Data items from EXPTL_CRYSTAL_APPEARANCE category should be used in + * preference to this item when possible. * @return StrColumn */ public StrColumn getColour() { @@ -34,6 +35,14 @@ public FloatColumn getDensityDiffrn() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_diffrn")); } + /** + * Standard uncertainty of _exptl_crystal.density_diffrn. + * @return FloatColumn + */ + public FloatColumn getDensityDiffrnSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_diffrn_su")); + } + /** * Crystal density measured using standard chemical and physical methods. * @return FloatColumn @@ -106,7 +115,7 @@ public StrColumn getDensityMethod() { /** * Description of the quality and habit of the crystal. The crystal - * dimensions should be provided using the exptl_crystal.size_* datanames. + * dimensions should be provided using the _exptl_crystal.size_* data items. * @return StrColumn */ public StrColumn getDescription() { @@ -119,8 +128,8 @@ public StrColumn getDescription() { * * F(000) = [ (sum f~r~)^2^ + (sum f~i~)^2^ ]^1/2^ * - * f~r~ = real part of the scattering factors at theta = 0 - * f~i~ = imaginary part of the scattering factors at theta = 0 + * f~r~ = real part of the scattering factors at θ = 0 + * f~i~ = imaginary part of the scattering factors at θ = 0 * * the sum is taken over each atom in the unit cell * @@ -128,11 +137,11 @@ public StrColumn getDescription() { * the effective number of electrons in the unit cell; for neutrons, * non-dispersive F(000) (which may be negative) counts the total * nuclear scattering power in the unit cell. See - * http://reference.iucr.org/dictionary/F(000) + * https://dictionary.iucr.org/F(000) * @return FloatColumn */ public FloatColumn getF000() { - return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_F_000")); + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_f_000")); } /** @@ -143,9 +152,68 @@ public StrColumn getId() { return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_id")); } + /** + * Isotropic and resolution-independent term representing the average size of + * mosaic domains in the crystal specified in angstroms. Larger size indicates + * better ordered crystals. + * @return FloatColumn + */ + public FloatColumn getMosaicBlockSize() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_mosaic_block_size")); + } + + /** + * Standard uncertainty of _exptl_crystal.mosaic_block_size. + * @return FloatColumn + */ + public FloatColumn getMosaicBlockSizeSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_mosaic_block_size_su")); + } + + /** + * How parameters derived from the spot shape (such as mosaic block + * size and rotation, beam divergence, and crossfire) and their + * errors were estimated. + * + * This can be a written description or a citation to a specific + * software package that determined these parameters. + * @return StrColumn + */ + public StrColumn getMosaicMethod() { + return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_mosaic_method")); + } + + /** + * Isotropic approximation of the distribution of mis-orientation angles + * specified in degrees of all the mosaic domain blocks in the crystal, + * represented as a standard deviation. Here, a mosaic block is a set of + * contiguous unit cells assumed to be perfectly aligned. Lower mosaicity + * indicates better ordered crystals. See for example: + * + * Nave, C. (1998). Acta Cryst. D54, 848-853. + * + * Note that many software packages estimate the mosaic rotation distribution + * differently and may combine several physical properties of the experiment + * into a single mosaic term. This term will help fit the modelled spots + * to the observed spots without necessarily being directly related to the + * physics of the crystal itself. + * @return FloatColumn + */ + public FloatColumn getMosaicity() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_mosaicity")); + } + + /** + * Standard uncertainty of _exptl_crystal.mosaicity. + * @return FloatColumn + */ + public FloatColumn getMosaicitySu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_mosaicity_su")); + } + /** * Details of crystal growth and preparation of the crystals - * (e.g. mounting) prior to the intensity measurements. + * (e.g. mounting) prior to the intensity measurements. * @return StrColumn */ public StrColumn getPreparation() { @@ -179,6 +247,14 @@ public FloatColumn getSizeLength() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_length")); } + /** + * Standard uncertainty of _exptl_crystal.size_length. + * @return FloatColumn + */ + public FloatColumn getSizeLengthSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_length_su")); + } + /** * The maximum dimension of a crystal. * @return FloatColumn @@ -188,13 +264,29 @@ public FloatColumn getSizeMax() { } /** - * The median dimension of a crystal. + * Standard uncertainty of _exptl_crystal.size_max. + * @return FloatColumn + */ + public FloatColumn getSizeMaxSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_max_su")); + } + + /** + * The medial dimension of a crystal. * @return FloatColumn */ public FloatColumn getSizeMid() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_mid")); } + /** + * Standard uncertainty of _exptl_crystal.size_mid. + * @return FloatColumn + */ + public FloatColumn getSizeMidSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_mid_su")); + } + /** * The minimum dimension of a crystal. * @return FloatColumn @@ -203,6 +295,14 @@ public FloatColumn getSizeMin() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_min")); } + /** + * Standard uncertainty of _exptl_crystal.size_min. + * @return FloatColumn + */ + public FloatColumn getSizeMinSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_min_su")); + } + /** * The radius of a spherical or cylindrical crystal. * @return FloatColumn @@ -211,6 +311,14 @@ public FloatColumn getSizeRad() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_rad")); } + /** + * Standard uncertainty of _exptl_crystal.size_rad. + * @return FloatColumn + */ + public FloatColumn getSizeRadSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_rad_su")); + } + /** * Details concerning the thermal history of the crystals. * @return StrColumn @@ -220,8 +328,7 @@ public StrColumn getThermalHistory() { } /** - * Standard Uncertainty of the - * Crystal density measured using standard chemical and physical methods. + * Standard uncertainty of _exptl_crystal.density_meas. * @return FloatColumn */ public FloatColumn getDensityMeasEsd() { @@ -229,8 +336,7 @@ public FloatColumn getDensityMeasEsd() { } /** - * Standard Uncertainty of the - * Crystal density measured using standard chemical and physical methods. + * Standard uncertainty of _exptl_crystal.density_meas. * @return FloatColumn */ public FloatColumn getDensityMeasSu() { @@ -238,8 +344,7 @@ public FloatColumn getDensityMeasSu() { } /** - * Standard Uncertainty of the - * Temperature at which _exptl_crystal.density_meas was determined. + * Standard uncertainty of _exptl_crystal.density_meas_temp. * @return FloatColumn */ public FloatColumn getDensityMeasTempEsd() { @@ -247,8 +352,7 @@ public FloatColumn getDensityMeasTempEsd() { } /** - * Standard Uncertainty of the - * Temperature at which _exptl_crystal.density_meas was determined. + * Standard uncertainty of _exptl_crystal.density_meas_temp. * @return FloatColumn */ public FloatColumn getDensityMeasTempSu() { diff --git a/src/main/java/org/rcsb/cif/schema/core/ExptlCrystalAppearance.java b/src/main/java/org/rcsb/cif/schema/core/ExptlCrystalAppearance.java index eeab723a0..cd26104b1 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ExptlCrystalAppearance.java +++ b/src/main/java/org/rcsb/cif/schema/core/ExptlCrystalAppearance.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of ENUMERATION items used to specify information about the - * crystal colour and appearance. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ExptlCrystalAppearance extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/ExptlCrystalFace.java b/src/main/java/org/rcsb/cif/schema/core/ExptlCrystalFace.java index 04d1d1026..24b0995ca 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ExptlCrystalFace.java +++ b/src/main/java/org/rcsb/cif/schema/core/ExptlCrystalFace.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the dimensions of the - * crystal used in the diffraction measurements. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ExptlCrystalFace extends DelegatingCategory.DelegatingCifCoreCategory { @@ -20,43 +19,75 @@ public ExptlCrystalFace(CifCoreBlock parentBlock) { /** * Diffractometer angle setting when the perpendicular to the specified * crystal face is aligned along a specified direction (e.g. the - * bisector of the incident and reflected beams in an optical goniometer. + * bisector of the incident and reflected beams in an optical goniometer). * @return FloatColumn */ public FloatColumn getDiffrChi() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_diffr_chi")); } + /** + * Standard uncertainty of _exptl_crystal_face.diffr_chi. + * @return FloatColumn + */ + public FloatColumn getDiffrChiSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_diffr_chi_su")); + } + /** * Diffractometer angle setting when the perpendicular to the specified * crystal face is aligned along a specified direction (e.g. the - * bisector of the incident and reflected beams in an optical goniometer. + * bisector of the incident and reflected beams in an optical goniometer). * @return FloatColumn */ public FloatColumn getDiffrKappa() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_diffr_kappa")); } + /** + * Standard uncertainty of _exptl_crystal_face.diffr_kappa. + * @return FloatColumn + */ + public FloatColumn getDiffrKappaSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_diffr_kappa_su")); + } + /** * Diffractometer angle setting when the perpendicular to the specified * crystal face is aligned along a specified direction (e.g. the - * bisector of the incident and reflected beams in an optical goniometer. + * bisector of the incident and reflected beams in an optical goniometer). * @return FloatColumn */ public FloatColumn getDiffrPhi() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_diffr_phi")); } + /** + * Standard uncertainty of _exptl_crystal_face.diffr_phi. + * @return FloatColumn + */ + public FloatColumn getDiffrPhiSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_diffr_phi_su")); + } + /** * Diffractometer angle setting when the perpendicular to the specified * crystal face is aligned along a specified direction (e.g. the - * bisector of the incident and reflected beams in an optical goniometer. + * bisector of the incident and reflected beams in an optical goniometer). * @return FloatColumn */ public FloatColumn getDiffrPsi() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_diffr_psi")); } + /** + * Standard uncertainty of _exptl_crystal_face.diffr_psi. + * @return FloatColumn + */ + public FloatColumn getDiffrPsiSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_diffr_psi_su")); + } + /** * Miller indices of the crystal face. * @return IntColumn @@ -97,4 +128,12 @@ public FloatColumn getPerpDist() { return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_perp_dist")); } + /** + * Standard uncertainty of _exptl_crystal_face.perp_dist. + * @return FloatColumn + */ + public FloatColumn getPerpDistSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_face_perp_dist_su")); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Function.java b/src/main/java/org/rcsb/cif/schema/core/Function.java index 9b1a56f1f..faa4620d8 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Function.java +++ b/src/main/java/org/rcsb/cif/schema/core/Function.java @@ -6,9 +6,7 @@ import javax.annotation.Generated; /** - * The crystallographic functions the invoked in the definition - * methods of CORE STRUCTURE data items defined and used with in - * the Crystallographic Information Framework (CIF). + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Function extends DelegatingCategory.DelegatingCifCoreCategory { @@ -25,8 +23,8 @@ public Function(CifCoreBlock parentBlock) { * returns an atom type symbol (element name) from the atom site label. * @return StrColumn */ - public StrColumn getAtomType() { - return new DelegatingStrColumn(parentBlock.getColumn("function_AtomType")); + public StrColumn getAtomtype() { + return new DelegatingStrColumn(parentBlock.getColumn("function_atomtype")); } /** @@ -34,12 +32,12 @@ public StrColumn getAtomType() { * d = Closest( v, w ) * * returns the cell translation vector required to obtain the - * closest cell-translated occurence of the vector V to the vector + * closest cell-translated occurrence of the vector V to the vector * W. * @return FloatColumn */ public FloatColumn getClosest() { - return new DelegatingFloatColumn(parentBlock.getColumn("function_Closest")); + return new DelegatingFloatColumn(parentBlock.getColumn("function_closest")); } /** @@ -50,8 +48,8 @@ public FloatColumn getClosest() { * the equivalent position which is a character string e.g. 1/2+x,-x,z. * @return FloatColumn */ - public FloatColumn getSeitzFromJones() { - return new DelegatingFloatColumn(parentBlock.getColumn("function_SeitzFromJones")); + public FloatColumn getSeitzfromjones() { + return new DelegatingFloatColumn(parentBlock.getColumn("function_seitzfromjones")); } /** @@ -59,12 +57,12 @@ public FloatColumn getSeitzFromJones() { * xyz' = SymEquiv( symop, xyz ) * * returns a fractional coordinate vector xyz' which is input vector - * xyz transformed by the input symop 'n_pqr' applied to the symmetry - * equivalent matrix extracted from the category space_group_symop. + * xyz transformed by the input symop 'n_pqr' applied to the + * symmetry-equivalent matrix extracted from the category SPACE_GROUP_SYMOP. * @return FloatColumn */ - public FloatColumn getSymEquiv() { - return new DelegatingFloatColumn(parentBlock.getColumn("function_SymEquiv")); + public FloatColumn getSymequiv() { + return new DelegatingFloatColumn(parentBlock.getColumn("function_symequiv")); } /** @@ -75,8 +73,8 @@ public FloatColumn getSymEquiv() { * string of the form 'n_pqr'. * @return IntColumn */ - public IntColumn getSymKey() { - return new DelegatingIntColumn(parentBlock.getColumn("function_SymKey")); + public IntColumn getSymkey() { + return new DelegatingIntColumn(parentBlock.getColumn("function_symkey")); } /** @@ -87,8 +85,8 @@ public IntColumn getSymKey() { * from the character string of the form 'n_pqr'. i.e. p-5, q-5, r-5. * @return IntColumn */ - public IntColumn getSymLat() { - return new DelegatingIntColumn(parentBlock.getColumn("function_SymLat")); + public IntColumn getSymlat() { + return new DelegatingIntColumn(parentBlock.getColumn("function_symlat")); } /** @@ -101,7 +99,7 @@ public IntColumn getSymLat() { * @return StrColumn */ public StrColumn getSymop() { - return new DelegatingStrColumn(parentBlock.getColumn("function_Symop")); + return new DelegatingStrColumn(parentBlock.getColumn("function_symop")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Geom.java b/src/main/java/org/rcsb/cif/schema/core/Geom.java index fea42258e..5fb0271e8 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Geom.java +++ b/src/main/java/org/rcsb/cif/schema/core/Geom.java @@ -6,19 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify the geometry - * of the structural model as derived from the atomic sites. - * The geometry is expressed in terms of the interatomic - * angles (GEOM_ANGLE data), covalent bond distances - * (GEOM_BOND data), contact distances (GEOM_CONTACT data), - * hydrogen bonds (GEOM_HBOND data) and torsion geometry - * (GEOM_TORSION data). - * Geometry data are usually redundant, in that they can be - * calculated from other more fundamental quantities in the data - * block. However, they serve the dual purposes of providing a - * check on the correctness of both sets of data and of enabling - * the most important geometric data to be identified for - * publication by setting the appropriate publication flag. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Geom extends DelegatingCategory.DelegatingCifCoreCategory { @@ -38,14 +26,6 @@ public FloatColumn getBondDistanceIncr() { return new DelegatingFloatColumn(parentBlock.getColumn("geom_bond_distance_incr")); } - /** - * Minimum permitted "bonded" distance between two atom sites. - * @return FloatColumn - */ - public FloatColumn getBondDistanceMin() { - return new DelegatingFloatColumn(parentBlock.getColumn("geom_bond_distance_min")); - } - /** * Increment added to the bond radii for the atomic species to * specify the maximum permitted "contact" distance between two @@ -56,12 +36,20 @@ public FloatColumn getContactDistanceIncr() { return new DelegatingFloatColumn(parentBlock.getColumn("geom_contact_distance_incr")); } + /** + * Minimum permitted "bonded" distance between two atom sites. + * @return FloatColumn + */ + public FloatColumn getMinBondDistanceCutoff() { + return new DelegatingFloatColumn(parentBlock.getColumn("geom_min_bond_distance_cutoff")); + } + /** * Minimum permitted "contact" distance between two "non-bonded" atom sites. * @return FloatColumn */ - public FloatColumn getContactDistanceMin() { - return new DelegatingFloatColumn(parentBlock.getColumn("geom_contact_distance_min")); + public FloatColumn getMinContactDistanceCutoff() { + return new DelegatingFloatColumn(parentBlock.getColumn("geom_min_contact_distance_cutoff")); } /** diff --git a/src/main/java/org/rcsb/cif/schema/core/GeomAngle.java b/src/main/java/org/rcsb/cif/schema/core/GeomAngle.java index 1ef55da6f..d90025343 100644 --- a/src/main/java/org/rcsb/cif/schema/core/GeomAngle.java +++ b/src/main/java/org/rcsb/cif/schema/core/GeomAngle.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify the geometry angles in the - * structural model as derived from the atomic sites. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class GeomAngle extends DelegatingCategory.DelegatingCifCoreCategory { @@ -26,8 +25,15 @@ public FloatColumn getDistances() { } /** - * An arbitrary, unique identifier for the angle formed by the - * three atoms. + * Standard uncertainty of _geom_angle.distances. + * @return FloatColumn + */ + public FloatColumn getDistancesSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("geom_angle_distances_su")); + } + + /** + * An arbitrary, unique identifier for the angle formed by the three atoms. * @return StrColumn */ public StrColumn getId() { @@ -44,8 +50,9 @@ public StrColumn getPublFlag() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -54,13 +61,14 @@ public StrColumn getPublFlag() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -71,8 +79,9 @@ public StrColumn getSiteSymmetry1() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -81,13 +90,14 @@ public StrColumn getSiteSymmetry1() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -98,8 +108,9 @@ public StrColumn getSiteSymmetry2() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -108,13 +119,14 @@ public StrColumn getSiteSymmetry2() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -186,8 +198,7 @@ public StrColumn getAtomSiteLabel3() { } /** - * Standard Uncertainty of the - * angle defined by the sites identified by _geom_angle.id + * Standard uncertainty of _geom_angle.value. * @return FloatColumn */ public FloatColumn getValueEsd() { @@ -195,8 +206,7 @@ public FloatColumn getValueEsd() { } /** - * Standard Uncertainty of the - * angle defined by the sites identified by _geom_angle.id + * Standard uncertainty of _geom_angle.value. * @return FloatColumn */ public FloatColumn getValueSu() { diff --git a/src/main/java/org/rcsb/cif/schema/core/GeomBond.java b/src/main/java/org/rcsb/cif/schema/core/GeomBond.java index ce9e4a363..9bc418b73 100644 --- a/src/main/java/org/rcsb/cif/schema/core/GeomBond.java +++ b/src/main/java/org/rcsb/cif/schema/core/GeomBond.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify the geometry bonds in the - * structural model as derived from the atomic sites. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class GeomBond extends DelegatingCategory.DelegatingCifCoreCategory { @@ -47,8 +46,9 @@ public StrColumn getPublFlag() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -57,13 +57,14 @@ public StrColumn getPublFlag() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -74,8 +75,9 @@ public StrColumn getSiteSymmetry1() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -84,13 +86,14 @@ public StrColumn getSiteSymmetry1() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -101,13 +104,26 @@ public StrColumn getSiteSymmetry2() { } /** - * Bond valence calculated from the bond distance. + * Valence assigned to the bond between the sites identified by + * _geom_bond.id calculated according to the bond-valence model + * (Brown, 2002) from the bond distance. + * + * Ref: Brown, I. D. (2002). The Chemical Bond in Inorganic Chemistry: + * the Bond-Valence Model, eq. (3.1). Oxford: Oxford University Press. * @return FloatColumn */ public FloatColumn getValence() { return new DelegatingFloatColumn(parentBlock.getColumn("geom_bond_valence")); } + /** + * Standard uncertainty of _geom_bond.valence. + * @return FloatColumn + */ + public FloatColumn getValenceSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("geom_bond_valence_su")); + } + /** * This label is a unique identifier for a particular site in the * asymmetric unit of the crystal unit cell. @@ -163,8 +179,7 @@ public FloatColumn getDistance() { } /** - * Standard Uncertainty of the intramolecular bond distance - * between the sites identified by _geom_bond.id + * Standard uncertainty of _geom_bond.distance. * @return FloatColumn */ public FloatColumn getDistEsd() { @@ -172,8 +187,7 @@ public FloatColumn getDistEsd() { } /** - * Standard Uncertainty of the intramolecular bond distance - * between the sites identified by _geom_bond.id + * Standard uncertainty of _geom_bond.distance. * @return FloatColumn */ public FloatColumn getDistanceSu() { diff --git a/src/main/java/org/rcsb/cif/schema/core/GeomContact.java b/src/main/java/org/rcsb/cif/schema/core/GeomContact.java index af2391144..5a2ef89fe 100644 --- a/src/main/java/org/rcsb/cif/schema/core/GeomContact.java +++ b/src/main/java/org/rcsb/cif/schema/core/GeomContact.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify the interatomic - * contact distances in the structural model. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class GeomContact extends DelegatingCategory.DelegatingCifCoreCategory { @@ -36,8 +35,9 @@ public StrColumn getPublFlag() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -46,13 +46,14 @@ public StrColumn getPublFlag() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -63,8 +64,9 @@ public StrColumn getSiteSymmetry1() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -73,13 +75,14 @@ public StrColumn getSiteSymmetry1() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -144,8 +147,7 @@ public FloatColumn getDistance() { } /** - * Standard Uncertainty of the intermolecular distance between - * the atomic sites identified by _geom_contact.id + * Standard uncertainty of _geom_contact.distance. * @return FloatColumn */ public FloatColumn getDistEsd() { @@ -153,8 +155,7 @@ public FloatColumn getDistEsd() { } /** - * Standard Uncertainty of the intermolecular distance between - * the atomic sites identified by _geom_contact.id + * Standard uncertainty of _geom_contact.distance. * @return FloatColumn */ public FloatColumn getDistanceSu() { diff --git a/src/main/java/org/rcsb/cif/schema/core/GeomHbond.java b/src/main/java/org/rcsb/cif/schema/core/GeomHbond.java index 245d4d845..1af83b128 100644 --- a/src/main/java/org/rcsb/cif/schema/core/GeomHbond.java +++ b/src/main/java/org/rcsb/cif/schema/core/GeomHbond.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify the hydrogen bond - * distances in the structural model as derived from atomic sites. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class GeomHbond extends DelegatingCategory.DelegatingCifCoreCategory { @@ -22,8 +21,8 @@ public GeomHbond(CifCoreBlock parentBlock) { * The hydrogen at site H is at the apex of the angle. * @return FloatColumn */ - public FloatColumn getAngleDHA() { - return new DelegatingFloatColumn(parentBlock.getColumn("geom_hbond_angle_DHA")); + public FloatColumn getAngleDha() { + return new DelegatingFloatColumn(parentBlock.getColumn("geom_hbond_angle_dha")); } /** @@ -45,8 +44,9 @@ public StrColumn getPublFlag() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -55,25 +55,27 @@ public StrColumn getPublFlag() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z * @return StrColumn */ public StrColumn getSiteSymmetryA() { - return new DelegatingStrColumn(parentBlock.getColumn("geom_hbond_site_symmetry_A")); + return new DelegatingStrColumn(parentBlock.getColumn("geom_hbond_site_symmetry_a")); } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -82,25 +84,27 @@ public StrColumn getSiteSymmetryA() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z * @return StrColumn */ public StrColumn getSiteSymmetryD() { - return new DelegatingStrColumn(parentBlock.getColumn("geom_hbond_site_symmetry_D")); + return new DelegatingStrColumn(parentBlock.getColumn("geom_hbond_site_symmetry_d")); } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -109,38 +113,37 @@ public StrColumn getSiteSymmetryD() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z * @return StrColumn */ public StrColumn getSiteSymmetryH() { - return new DelegatingStrColumn(parentBlock.getColumn("geom_hbond_site_symmetry_H")); + return new DelegatingStrColumn(parentBlock.getColumn("geom_hbond_site_symmetry_h")); } /** - * The standard uncertainty of the angle subtended by the sites identified - * by _geom_hbond.id. The hydrogen at site H is at the apex of the angle. + * Standard uncertainty of _geom_hbond.angle_DHA. * @return FloatColumn */ public FloatColumn getAngleDHAEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_angle_DHA_esd", "geom_hbond_angle_DHA_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_angle_DHA_esd", "geom_hbond_angle_dha_su")); } /** - * The standard uncertainty of the angle subtended by the sites identified - * by _geom_hbond.id. The hydrogen at site H is at the apex of the angle. + * Standard uncertainty of _geom_hbond.angle_DHA. * @return FloatColumn */ - public FloatColumn getAngleDHASu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_angle_DHA_esd", "geom_hbond_angle_DHA_su")); + public FloatColumn getAngleDhaSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_angle_DHA_esd", "geom_hbond_angle_dha_su")); } /** @@ -149,7 +152,7 @@ public FloatColumn getAngleDHASu() { * @return StrColumn */ public StrColumn getAtomSiteIdA() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_A", "geom_hbond_atom_site_label_A")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_A", "geom_hbond_atom_site_label_a")); } /** @@ -158,7 +161,7 @@ public StrColumn getAtomSiteIdA() { * @return StrColumn */ public StrColumn getAtomSiteLabelA() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_A", "geom_hbond_atom_site_label_A")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_A", "geom_hbond_atom_site_label_a")); } /** @@ -167,7 +170,7 @@ public StrColumn getAtomSiteLabelA() { * @return StrColumn */ public StrColumn getAtomSiteIdD() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_D", "geom_hbond_atom_site_label_D")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_D", "geom_hbond_atom_site_label_d")); } /** @@ -176,7 +179,7 @@ public StrColumn getAtomSiteIdD() { * @return StrColumn */ public StrColumn getAtomSiteLabelD() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_D", "geom_hbond_atom_site_label_D")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_D", "geom_hbond_atom_site_label_d")); } /** @@ -185,7 +188,7 @@ public StrColumn getAtomSiteLabelD() { * @return StrColumn */ public StrColumn getAtomSiteIdH() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_H", "geom_hbond_atom_site_label_H")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_H", "geom_hbond_atom_site_label_h")); } /** @@ -194,7 +197,7 @@ public StrColumn getAtomSiteIdH() { * @return StrColumn */ public StrColumn getAtomSiteLabelH() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_H", "geom_hbond_atom_site_label_H")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("geom_hbond_atom_site_id_H", "geom_hbond_atom_site_label_h")); } /** @@ -203,7 +206,7 @@ public StrColumn getAtomSiteLabelH() { * @return FloatColumn */ public FloatColumn getDistDA() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DA", "geom_hbond_distance_DA")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DA", "geom_hbond_distance_da")); } /** @@ -211,28 +214,24 @@ public FloatColumn getDistDA() { * three atom sites identified by _geom_hbond.id. * @return FloatColumn */ - public FloatColumn getDistanceDA() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DA", "geom_hbond_distance_DA")); + public FloatColumn getDistanceDa() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DA", "geom_hbond_distance_da")); } /** - * Standard Uncertainty of the - * set of data items which specify the distance between the - * three atom sites identified by _geom_hbond.id. + * Standard uncertainty of _geom_hbond.distance_DA. * @return FloatColumn */ public FloatColumn getDistDAEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DA_esd", "geom_hbond_distance_DA_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DA_esd", "geom_hbond_distance_da_su")); } /** - * Standard Uncertainty of the - * set of data items which specify the distance between the - * three atom sites identified by _geom_hbond.id. + * Standard uncertainty of _geom_hbond.distance_DA. * @return FloatColumn */ - public FloatColumn getDistanceDASu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DA_esd", "geom_hbond_distance_DA_su")); + public FloatColumn getDistanceDaSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DA_esd", "geom_hbond_distance_da_su")); } /** @@ -241,7 +240,7 @@ public FloatColumn getDistanceDASu() { * @return FloatColumn */ public FloatColumn getDistDH() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DH", "geom_hbond_distance_DH")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DH", "geom_hbond_distance_dh")); } /** @@ -249,28 +248,24 @@ public FloatColumn getDistDH() { * three atom sites identified by _geom_hbond.id. * @return FloatColumn */ - public FloatColumn getDistanceDH() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DH", "geom_hbond_distance_DH")); + public FloatColumn getDistanceDh() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DH", "geom_hbond_distance_dh")); } /** - * Standard Uncertainty of the - * set of data items which specify the distance between the - * three atom sites identified by _geom_hbond.id. + * Standard uncertainty of _geom_hbond.distance_DH. * @return FloatColumn */ public FloatColumn getDistDHEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DH_esd", "geom_hbond_distance_DH_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DH_esd", "geom_hbond_distance_dh_su")); } /** - * Standard Uncertainty of the - * set of data items which specify the distance between the - * three atom sites identified by _geom_hbond.id. + * Standard uncertainty of _geom_hbond.distance_DH. * @return FloatColumn */ - public FloatColumn getDistanceDHSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DH_esd", "geom_hbond_distance_DH_su")); + public FloatColumn getDistanceDhSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_DH_esd", "geom_hbond_distance_dh_su")); } /** @@ -279,7 +274,7 @@ public FloatColumn getDistanceDHSu() { * @return FloatColumn */ public FloatColumn getDistHA() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_HA", "geom_hbond_distance_HA")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_HA", "geom_hbond_distance_ha")); } /** @@ -287,28 +282,24 @@ public FloatColumn getDistHA() { * three atom sites identified by _geom_hbond.id. * @return FloatColumn */ - public FloatColumn getDistanceHA() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_HA", "geom_hbond_distance_HA")); + public FloatColumn getDistanceHa() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_HA", "geom_hbond_distance_ha")); } /** - * Standard Uncertainty of the - * set of data items which specify the distance between the - * three atom sites identified by _geom_hbond.id. + * Standard uncertainty of _geom_hbond.distance_HA. * @return FloatColumn */ public FloatColumn getDistHAEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_HA_esd", "geom_hbond_distance_HA_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_HA_esd", "geom_hbond_distance_ha_su")); } /** - * Standard Uncertainty of the - * set of data items which specify the distance between the - * three atom sites identified by _geom_hbond.id. + * Standard uncertainty of _geom_hbond.distance_HA. * @return FloatColumn */ - public FloatColumn getDistanceHASu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_HA_esd", "geom_hbond_distance_HA_su")); + public FloatColumn getDistanceHaSu() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("geom_hbond_dist_HA_esd", "geom_hbond_distance_ha_su")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/GeomTorsion.java b/src/main/java/org/rcsb/cif/schema/core/GeomTorsion.java index 0ae84afa6..81e5a8da0 100644 --- a/src/main/java/org/rcsb/cif/schema/core/GeomTorsion.java +++ b/src/main/java/org/rcsb/cif/schema/core/GeomTorsion.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify the torsion angles in the - * structural model as derived from the atomic sites. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class GeomTorsion extends DelegatingCategory.DelegatingCifCoreCategory { @@ -25,6 +24,14 @@ public FloatColumn getDistances() { return new DelegatingFloatColumn(parentBlock.getColumn("geom_torsion_distances")); } + /** + * Standard uncertainty of _geom_torsion.distances. + * @return FloatColumn + */ + public FloatColumn getDistancesSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("geom_torsion_distances_su")); + } + /** * An identifier for the torsion angle that is unique within its loop. * @return StrColumn @@ -42,8 +49,9 @@ public StrColumn getPublFlag() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -52,13 +60,14 @@ public StrColumn getPublFlag() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -69,8 +78,9 @@ public StrColumn getSiteSymmetry1() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -79,13 +89,14 @@ public StrColumn getSiteSymmetry1() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -96,8 +107,9 @@ public StrColumn getSiteSymmetry2() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -106,13 +118,14 @@ public StrColumn getSiteSymmetry2() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -123,8 +136,9 @@ public StrColumn getSiteSymmetry3() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -133,13 +147,14 @@ public StrColumn getSiteSymmetry3() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z @@ -182,7 +197,7 @@ public FloatColumn getAngle() { } /** - * Standard Uncertainty of the torsion angle. + * Standard uncertainty of _geom_torsion.angle. * @return FloatColumn */ public FloatColumn getValueEsd() { @@ -190,7 +205,7 @@ public FloatColumn getValueEsd() { } /** - * Standard Uncertainty of the torsion angle. + * Standard uncertainty of _geom_torsion.angle. * @return FloatColumn */ public FloatColumn getAngleSu() { diff --git a/src/main/java/org/rcsb/cif/schema/core/Journal.java b/src/main/java/org/rcsb/cif/schema/core/Journal.java index 054e2c31c..e3a1ae229 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Journal.java +++ b/src/main/java/org/rcsb/cif/schema/core/Journal.java @@ -6,10 +6,7 @@ import javax.annotation.Generated; /** - * Category of items recording details about the book-keeping - * by the journal staff when processing a CIF submitted for - * publication. The creator of a CIF will not normally specify - * these data items. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Journal extends DelegatingCategory.DelegatingCifCoreCategory { @@ -23,8 +20,8 @@ public Journal(CifCoreBlock parentBlock) { * ASTM code assigned to journal. * @return StrColumn */ - public StrColumn getCodenASTM() { - return new DelegatingStrColumn(parentBlock.getColumn("journal_coden_ASTM")); + public StrColumn getCodenAstm() { + return new DelegatingStrColumn(parentBlock.getColumn("journal_coden_astm")); } /** @@ -32,15 +29,7 @@ public StrColumn getCodenASTM() { * @return StrColumn */ public StrColumn getCodenCambridge() { - return new DelegatingStrColumn(parentBlock.getColumn("journal_coden_Cambridge")); - } - - /** - * Journal data items are defined by the journal staff. - * @return StrColumn - */ - public StrColumn getDataValidationNumber() { - return new DelegatingStrColumn(parentBlock.getColumn("journal_data_validation_number")); + return new DelegatingStrColumn(parentBlock.getColumn("journal_coden_cambridge")); } /** @@ -100,27 +89,47 @@ public StrColumn getPaperDoi() { } /** - * Number of supplementary publication. + * Article number that is used by some journals instead of a page range. + * Usually applies to electronic-only journals. * @return StrColumn */ - public StrColumn getSupplPublNumber() { - return new DelegatingStrColumn(parentBlock.getColumn("journal_suppl_publ_number")); + public StrColumn getPaperNumber() { + return new DelegatingStrColumn(parentBlock.getColumn("journal_paper_number")); } /** - * Number of pages in the supplementary publication. + * Number of pages in the journal article. * @return IntColumn */ - public IntColumn getSupplPublPages() { - return new DelegatingIntColumn(parentBlock.getColumn("journal_suppl_publ_pages")); + public IntColumn getPaperPages() { + return new DelegatingIntColumn(parentBlock.getColumn("journal_paper_pages")); } /** - * Data validation number assigned to journal. + * The Uniform Resource Locator (URL) of the publication. + * + * The _journal.paper_DOI data item should be used in preference to this item + * when possible. * @return StrColumn */ - public StrColumn getValidationNumber() { - return new DelegatingStrColumn(parentBlock.getColumn("journal_validation_number")); + public StrColumn getPaperUrl() { + return new DelegatingStrColumn(parentBlock.getColumn("journal_paper_url")); + } + + /** + * Number of the supplementary publication. + * @return StrColumn + */ + public StrColumn getSupplPublNumber() { + return new DelegatingStrColumn(parentBlock.getColumn("journal_suppl_publ_number")); + } + + /** + * Number of pages in the supplementary publication. + * @return IntColumn + */ + public IntColumn getSupplPublPages() { + return new DelegatingIntColumn(parentBlock.getColumn("journal_suppl_publ_pages")); } /** @@ -139,6 +148,26 @@ public IntColumn getYear() { return new DelegatingIntColumn(parentBlock.getColumn("journal_year")); } + /** + * Data validation number identifying a published structure that + * has been processed by a standard validation/checking procedure; + * assigned by a journal. + * @return StrColumn + */ + public StrColumn getDataValidationNumber() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("journal_data_validation_number", "journal_validation_number")); + } + + /** + * Data validation number identifying a published structure that + * has been processed by a standard validation/checking procedure; + * assigned by a journal. + * @return StrColumn + */ + public StrColumn getValidationNumber() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("journal_data_validation_number", "journal_validation_number")); + } + /** * The postal address of the coeditor. * @return StrColumn @@ -252,7 +281,7 @@ public StrColumn getPhone() { } /** - * Date the publication was accepted. + * Date when the publication was accepted. * @return StrColumn */ public StrColumn getDateAccepted() { @@ -260,7 +289,7 @@ public StrColumn getDateAccepted() { } /** - * Date the publication was accepted. + * Date when the publication was accepted. * @return StrColumn */ public StrColumn getAccepted() { @@ -268,7 +297,7 @@ public StrColumn getAccepted() { } /** - * Date the publication recieved from coeditor. + * Date when the publication was received from the coeditor. * @return StrColumn */ public StrColumn getDateFromCoeditor() { @@ -276,7 +305,7 @@ public StrColumn getDateFromCoeditor() { } /** - * Date the publication recieved from coeditor. + * Date when the publication was received from the coeditor. * @return StrColumn */ public StrColumn getFromCoeditor() { @@ -284,7 +313,7 @@ public StrColumn getFromCoeditor() { } /** - * Date the publication last sent to the printers. + * Date when the publication was last sent to the printers. * @return StrColumn */ public StrColumn getDatePrintersFinal() { @@ -292,7 +321,7 @@ public StrColumn getDatePrintersFinal() { } /** - * Date the publication last sent to the printers. + * Date when the publication was last sent to the printers. * @return StrColumn */ public StrColumn getPrintersFinal() { @@ -300,7 +329,7 @@ public StrColumn getPrintersFinal() { } /** - * Date the publication first sent to the printers. + * Date when the publication was first sent to the printers. * @return StrColumn */ public StrColumn getDatePrintersFirst() { @@ -308,7 +337,7 @@ public StrColumn getDatePrintersFirst() { } /** - * Date the publication first sent to the printers. + * Date when the publication was first sent to the printers. * @return StrColumn */ public StrColumn getPrintersFirst() { @@ -316,7 +345,7 @@ public StrColumn getPrintersFirst() { } /** - * Date the publication proofs recieved. + * Date when the publication proofs were received. * @return StrColumn */ public StrColumn getDateProofsIn() { @@ -324,7 +353,7 @@ public StrColumn getDateProofsIn() { } /** - * Date the publication proofs recieved. + * Date when the publication proofs were received. * @return StrColumn */ public StrColumn getProofsIn() { @@ -332,7 +361,7 @@ public StrColumn getProofsIn() { } /** - * Date the publication proofs sent out. + * Date when the publication proofs were sent out. * @return StrColumn */ public StrColumn getDateProofsOut() { @@ -340,7 +369,7 @@ public StrColumn getDateProofsOut() { } /** - * Date the publication proofs sent out. + * Date when the publication proofs were sent out. * @return StrColumn */ public StrColumn getProofsOut() { @@ -348,7 +377,7 @@ public StrColumn getProofsOut() { } /** - * Date completed copyright recieved. + * Date when the completed copyright was received. * @return StrColumn */ public StrColumn getDateRecdCopyright() { @@ -356,7 +385,7 @@ public StrColumn getDateRecdCopyright() { } /** - * Date completed copyright recieved. + * Date when the completed copyright was received. * @return StrColumn */ public StrColumn getRecdCopyright() { @@ -364,7 +393,7 @@ public StrColumn getRecdCopyright() { } /** - * Date publication recieved electronically. + * Date when the publication was received electronically. * @return StrColumn */ public StrColumn getDateRecdElectronic() { @@ -372,7 +401,7 @@ public StrColumn getDateRecdElectronic() { } /** - * Date publication recieved electronically. + * Date when the publication was received electronically. * @return StrColumn */ public StrColumn getRecdElectronic() { @@ -380,7 +409,7 @@ public StrColumn getRecdElectronic() { } /** - * Date publication recieved as hard copy. + * Date when the publication was received as hard copy. * @return StrColumn */ public StrColumn getDateRecdHardCopy() { @@ -388,7 +417,7 @@ public StrColumn getDateRecdHardCopy() { } /** - * Date publication recieved as hard copy. + * Date when the publication was received as hard copy. * @return StrColumn */ public StrColumn getRecdHardCopy() { @@ -396,7 +425,7 @@ public StrColumn getRecdHardCopy() { } /** - * Date the publication sent to the coeditor. + * Date when the publication was sent to the coeditor. * @return StrColumn */ public StrColumn getDateToCoeditor() { @@ -404,7 +433,7 @@ public StrColumn getDateToCoeditor() { } /** - * Date the publication sent to the coeditor. + * Date when the publication was sent to the coeditor. * @return StrColumn */ public StrColumn getToCoeditor() { diff --git a/src/main/java/org/rcsb/cif/schema/core/JournalCoeditor.java b/src/main/java/org/rcsb/cif/schema/core/JournalCoeditor.java index 421c20719..c2725be3a 100644 --- a/src/main/java/org/rcsb/cif/schema/core/JournalCoeditor.java +++ b/src/main/java/org/rcsb/cif/schema/core/JournalCoeditor.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Category of items recording co-editor details. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class JournalCoeditor extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/JournalDate.java b/src/main/java/org/rcsb/cif/schema/core/JournalDate.java index 0470f139e..d49577ed5 100644 --- a/src/main/java/org/rcsb/cif/schema/core/JournalDate.java +++ b/src/main/java/org/rcsb/cif/schema/core/JournalDate.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Category of items recording dates of publication processing. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class JournalDate extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,7 +17,7 @@ public JournalDate(CifCoreBlock parentBlock) { } /** - * Date the publication was accepted. + * Date when the publication was accepted. * @return StrColumn */ public StrColumn getAccepted() { @@ -25,7 +25,7 @@ public StrColumn getAccepted() { } /** - * Date the publication recieved from coeditor. + * Date when the publication was received from the coeditor. * @return StrColumn */ public StrColumn getFromCoeditor() { @@ -33,7 +33,7 @@ public StrColumn getFromCoeditor() { } /** - * Date the publication last sent to the printers. + * Date when the publication was last sent to the printers. * @return StrColumn */ public StrColumn getPrintersFinal() { @@ -41,7 +41,7 @@ public StrColumn getPrintersFinal() { } /** - * Date the publication first sent to the printers. + * Date when the publication was first sent to the printers. * @return StrColumn */ public StrColumn getPrintersFirst() { @@ -49,7 +49,7 @@ public StrColumn getPrintersFirst() { } /** - * Date the publication proofs recieved. + * Date when the publication proofs were received. * @return StrColumn */ public StrColumn getProofsIn() { @@ -57,7 +57,7 @@ public StrColumn getProofsIn() { } /** - * Date the publication proofs sent out. + * Date when the publication proofs were sent out. * @return StrColumn */ public StrColumn getProofsOut() { @@ -65,7 +65,7 @@ public StrColumn getProofsOut() { } /** - * Date completed copyright recieved. + * Date when the completed copyright was received. * @return StrColumn */ public StrColumn getRecdCopyright() { @@ -73,7 +73,7 @@ public StrColumn getRecdCopyright() { } /** - * Date publication recieved electronically. + * Date when the publication was received electronically. * @return StrColumn */ public StrColumn getRecdElectronic() { @@ -81,7 +81,7 @@ public StrColumn getRecdElectronic() { } /** - * Date publication recieved as hard copy. + * Date when the publication was received as hard copy. * @return StrColumn */ public StrColumn getRecdHardCopy() { @@ -89,7 +89,7 @@ public StrColumn getRecdHardCopy() { } /** - * Date the publication sent to the coeditor. + * Date when the publication was sent to the coeditor. * @return StrColumn */ public StrColumn getToCoeditor() { diff --git a/src/main/java/org/rcsb/cif/schema/core/JournalIndex.java b/src/main/java/org/rcsb/cif/schema/core/JournalIndex.java index 27acb9a0e..02f9832a6 100644 --- a/src/main/java/org/rcsb/cif/schema/core/JournalIndex.java +++ b/src/main/java/org/rcsb/cif/schema/core/JournalIndex.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Category of items describing publication indices. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class JournalIndex extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,11 +17,11 @@ public JournalIndex(CifCoreBlock parentBlock) { } /** - * Index number identifier of the JOURNAL_INDEX category. - * @return IntColumn + * Unique identifier for a journal index entry. + * @return StrColumn */ - public IntColumn getId() { - return new DelegatingIntColumn(parentBlock.getColumn("journal_index_id")); + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("journal_index_id")); } /** diff --git a/src/main/java/org/rcsb/cif/schema/core/JournalTecheditor.java b/src/main/java/org/rcsb/cif/schema/core/JournalTecheditor.java index 436f0801f..9a4ecf3c6 100644 --- a/src/main/java/org/rcsb/cif/schema/core/JournalTecheditor.java +++ b/src/main/java/org/rcsb/cif/schema/core/JournalTecheditor.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * Category of items recording details of the technical editor - * processing this publication. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class JournalTecheditor extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/Model.java b/src/main/java/org/rcsb/cif/schema/core/Model.java deleted file mode 100644 index c08895dc8..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/Model.java +++ /dev/null @@ -1,24 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * Items in the MODEL Category specify data for the crystal structure - * postulated and modelled from the atomic coordinates derived and - * refined from the diffraction information. The structural model is - * described principally in terms of the geometry of the 'connected' - * atom sites and the crystal symmetry in which they reside. - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class Model extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "model"; - - public Model(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/ModelSite.java b/src/main/java/org/rcsb/cif/schema/core/ModelSite.java index 4c10471ba..a294c3e6c 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ModelSite.java +++ b/src/main/java/org/rcsb/cif/schema/core/ModelSite.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe atomic sites and - * connections in the proposed atomic model. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ModelSite extends DelegatingCategory.DelegatingCifCoreCategory { @@ -18,19 +17,42 @@ public ModelSite(CifCoreBlock parentBlock) { } /** - * The set of three adp eigenvales and associated eigenvectors - * in the form of 4 element List. Each list has the form - * - * (val, vecX, vecY, vecZ) - * - * where the vector elements are direction cosines to the orthogonal - * axes X,Y,Z. The lists are sorted in descending magnitude of val. - * That is, the list with the largest val is first, and the smallest - * val is last. - * @return StrColumn + * The set of three ADP eigenvalues for the associated eigenvectors + * given by _model_site.ADP_eigenvectors. The eigenvalues are + * sorted in order of magnitude with the largest first. + * @return FloatColumn + */ + public FloatColumn getAdpEigenvalues() { + return new DelegatingFloatColumn(parentBlock.getColumn("model_site_adp_eigenvalues")); + } + + /** + * Standard uncertainty of _model_site.ADP_eigenvalues. + * @return FloatColumn + */ + public FloatColumn getAdpEigenvaluesSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("model_site_adp_eigenvalues_su")); + } + + /** + * The set of three ADP eigenvectors corresponding to the values + * given in _model_site.ADP_eigenvalues. The eigenvectors are + * contained in the rows of a matrix ordered from top to bottom + * in order largest to smallest corresponding eigenvalue. The + * eigenvector elements are direction cosines to the orthogonal + * axes X,Y,Z. + * @return FloatColumn + */ + public FloatColumn getAdpEigenvectors() { + return new DelegatingFloatColumn(parentBlock.getColumn("model_site_adp_eigenvectors")); + } + + /** + * Standard uncertainty of _model_site.ADP_eigenvectors. + * @return FloatColumn */ - public StrColumn getAdpEigenSystem() { - return new DelegatingStrColumn(parentBlock.getColumn("model_site_adp_eigen_system")); + public FloatColumn getAdpEigenvectorsSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("model_site_adp_eigenvectors_su")); } /** @@ -41,12 +63,28 @@ public FloatColumn getAdpMatrixBeta() { return new DelegatingFloatColumn(parentBlock.getColumn("model_site_adp_matrix_beta")); } + /** + * Standard uncertainty of _model_site.ADP_matrix_beta. + * @return FloatColumn + */ + public FloatColumn getAdpMatrixBetaSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("model_site_adp_matrix_beta_su")); + } + /** * Vector of Cartesian (orthogonal angstrom) atom site coordinates. * @return FloatColumn */ public FloatColumn getCartnXyz() { - return new DelegatingFloatColumn(parentBlock.getColumn("model_site_Cartn_xyz")); + return new DelegatingFloatColumn(parentBlock.getColumn("model_site_cartn_xyz")); + } + + /** + * Standard uncertainty of _model_site.Cartn_xyz. + * @return FloatColumn + */ + public FloatColumn getCartnXyzSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("model_site_cartn_xyz_su")); } /** @@ -67,6 +105,14 @@ public FloatColumn getFractXyz() { return new DelegatingFloatColumn(parentBlock.getColumn("model_site_fract_xyz")); } + /** + * Standard uncertainty of _model_site.fract_xyz. + * @return FloatColumn + */ + public FloatColumn getFractXyzSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("model_site_fract_xyz_su")); + } + /** * An identifier for the model site that is unique within its loop. * @return StrColumn @@ -84,7 +130,7 @@ public IntColumn getIndex() { } /** - * Code identifies a site in the atom_site category of data. + * Code identifies a site in the ATOM_SITE category of data. * @return StrColumn */ public StrColumn getLabel() { @@ -92,8 +138,7 @@ public StrColumn getLabel() { } /** - * Index number of a distinct molecules in the cell, not related by - * symmetry. + * Index number of distinct molecules in the cell, not related by symmetry. * @return IntColumn */ public IntColumn getMoleIndex() { @@ -117,8 +162,9 @@ public FloatColumn getRadiusContact() { } /** - * The set of data items which specify the symmetry operation codes - * which must be applied to the atom sites involved in the geometry angle. + * Data item specifying the symmetry operation codes applied to the atom + * sites involved in a specific geometric configuration or other correlated + * behaviour. * * The symmetry code of each atom site as the symmetry-equivalent position * number 'n' and the cell translation number 'pqr'. These numbers are @@ -127,13 +173,14 @@ public FloatColumn getRadiusContact() { * The character string n_pqr is composed as follows: * * n refers to the symmetry operation that is applied to the - * coordinates stored in _atom_site.fract_xyz. It must match a - * number given in _symmetry_equiv.pos_site_id. + * coordinates stored in _atom_site.fract_xyz. It must match + * a number given in _space_group_symop.id (or one of its + * aliases, such as _symmetry_equiv_pos_site_id). * * p, q and r refer to the translations that are subsequently * applied to the symmetry transformed coordinates to generate - * the atom used in calculating the angle. These translations - * (x,y,z) are related to (p,q,r) by the relations + * the related atom position. These translations (x,y,z) are related + * to (p,q,r) by the relations * p = 5 + x * q = 5 + y * r = 5 + z diff --git a/src/main/java/org/rcsb/cif/schema/core/Publ.java b/src/main/java/org/rcsb/cif/schema/core/Publ.java index bac3b8346..e5923c5f0 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Publ.java +++ b/src/main/java/org/rcsb/cif/schema/core/Publ.java @@ -6,15 +6,7 @@ import javax.annotation.Generated; /** - * Data items in the PUBL category are used when submitting a - * manuscript for publication. They refer either to the paper as - * a whole, or to specific named elements within a paper (such as - * the title and abstract, or the Comment and Experimental - * sections of Acta Crystallographica Section C). The data items - * in the PUBL_BODY category should be used for the textual - * content of other submissions. Typically, each journal will - * supply a list of the specific items it requires in its Notes - * for Authors. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Publ extends DelegatingCategory.DelegatingCifCoreCategory { @@ -52,6 +44,30 @@ public StrColumn getAddress() { return new DelegatingStrColumn(parentBlock.getColumn("publ_contact_author_address")); } + /** + * DEPRECATED. The _publ_contact_author.name and _publ_contact_author.address + * data items should be used instead of this item. + * + * The name and address of the author submitting the manuscript and data block. + * This is the person contacted by the journal editorial staff. + * @return StrColumn + */ + public StrColumn getContactAuthor() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("publ_contact_author", "publ_contact_author_contact_details")); + } + + /** + * DEPRECATED. The _publ_contact_author.name and _publ_contact_author.address + * data items should be used instead of this item. + * + * The name and address of the author submitting the manuscript and data block. + * This is the person contacted by the journal editorial staff. + * @return StrColumn + */ + public StrColumn getContactDetails() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("publ_contact_author", "publ_contact_author_contact_details")); + } + /** * E-mail address in a form recognizable to international networks. * The format of e-mail addresses is given in Section 3.4, Address @@ -100,16 +116,6 @@ public StrColumn getFax() { return new DelegatingStrColumn(parentBlock.getColumn("publ_contact_author_fax")); } - /** - * The name of the author(s) submitting the manuscript and - * data block. This is the person contacted by the journal - * editorial staff. - * @return StrColumn - */ - public StrColumn getContactAuthor() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("publ_contact_author", "publ_contact_author_name")); - } - /** * The name of the author(s) submitting the manuscript and * data block. This is the person contacted by the journal @@ -117,7 +123,7 @@ public StrColumn getContactAuthor() { * @return StrColumn */ public StrColumn getContactAuthorName() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("publ_contact_author", "publ_contact_author_name")); + return new DelegatingStrColumn(parentBlock.getColumn("publ_contact_author_name")); } /** @@ -127,7 +133,7 @@ public StrColumn getContactAuthorName() { * @return StrColumn */ public StrColumn getName() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("publ_contact_author", "publ_contact_author_name")); + return new DelegatingStrColumn(parentBlock.getColumn("publ_contact_author_name")); } /** @@ -157,7 +163,7 @@ public StrColumn getPhone() { } /** - * A description of the wordprocessor package and computer used to + * A description of the word processor package and computer used to * create the manuscript stored as _publ_manuscript.processed. * @return StrColumn */ @@ -166,7 +172,7 @@ public StrColumn getManuscriptCreation() { } /** - * A description of the wordprocessor package and computer used to + * A description of the word processor package and computer used to * create the manuscript stored as _publ_manuscript.processed. * @return StrColumn */ @@ -237,7 +243,7 @@ public StrColumn getCategory() { } /** - * The name of the Co-editor whom the authors would like to + * The name of the coeditor whom the authors would like to * process the submitted manuscript. * @return StrColumn */ @@ -246,7 +252,7 @@ public StrColumn getRequestedCoeditorName() { } /** - * The name of the Co-editor whom the authors would like to + * The name of the coeditor whom the authors would like to * process the submitted manuscript. * @return StrColumn */ diff --git a/src/main/java/org/rcsb/cif/schema/core/PublAuthor.java b/src/main/java/org/rcsb/cif/schema/core/PublAuthor.java index b41a367e7..3ba0fb293 100644 --- a/src/main/java/org/rcsb/cif/schema/core/PublAuthor.java +++ b/src/main/java/org/rcsb/cif/schema/core/PublAuthor.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Category of data items recording the author information. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PublAuthor extends DelegatingCategory.DelegatingCifCoreCategory { @@ -47,9 +47,26 @@ public StrColumn getFootnote() { return new DelegatingStrColumn(parentBlock.getColumn("publ_author_footnote")); } + /** + * Arbitrary identifier for this author. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("publ_author_id")); + } + + /** + * Identifier corresponding to this author in the AUDIT_AUTHOR category list, + * if present. + * @return StrColumn + */ + public StrColumn getIdAudit() { + return new DelegatingStrColumn(parentBlock.getColumn("publ_author_id_audit")); + } + /** * Identifier in the IUCr contact database of a publication - * author. This identifier may be available from the World + * author. This identifier may be available from the World * Directory of Crystallographers (http://wdc.iucr.org). * @return StrColumn */ @@ -61,7 +78,7 @@ public StrColumn getIdIucr() { * Identifier in the ORCID Registry of a publication * author. ORCID is an open, non-profit, community-driven * service to provide a registry of unique researcher - * identifiers (http://orcid.org). + * identifiers (https://orcid.org/). * @return StrColumn */ public StrColumn getIdOrcid() { @@ -72,7 +89,8 @@ public StrColumn getIdOrcid() { * The name of a publication author. If there are multiple authors, * this will be looped with _publ_author.address. The family * name(s), followed by a comma and including any dynastic - * components, precedes the first names or initials. + * components, precedes the first names or initials. For authors + * with only one name, provide the full name without abbreviation. * @return StrColumn */ public StrColumn getName() { diff --git a/src/main/java/org/rcsb/cif/schema/core/PublBody.java b/src/main/java/org/rcsb/cif/schema/core/PublBody.java index 253a3d4e1..fce1876f7 100644 --- a/src/main/java/org/rcsb/cif/schema/core/PublBody.java +++ b/src/main/java/org/rcsb/cif/schema/core/PublBody.java @@ -6,13 +6,7 @@ import javax.annotation.Generated; /** - * Data items in the PUBL_BODY category permit labelling of - * different text sections within the body of a submitted paper. - * Note that these should not be used in a paper which has - * a standard format with sections tagged by specific data names - * (such as in Acta Crystallographica Section C). Typically, - * each journal will supply a list of the specific items it - * requires in its Notes for Authors. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PublBody extends DelegatingCategory.DelegatingCifCoreCategory { @@ -49,7 +43,7 @@ public StrColumn getFormat() { } /** - * Unigue identifier for each part of the body of the paper. + * Unique identifier for each part of the body of the paper. * @return StrColumn */ public StrColumn getLabel() { diff --git a/src/main/java/org/rcsb/cif/schema/core/PublContactAuthor.java b/src/main/java/org/rcsb/cif/schema/core/PublContactAuthor.java index 8461f6fd2..80166c74c 100644 --- a/src/main/java/org/rcsb/cif/schema/core/PublContactAuthor.java +++ b/src/main/java/org/rcsb/cif/schema/core/PublContactAuthor.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Category of items describing contact author(s) details. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PublContactAuthor extends DelegatingCategory.DelegatingCifCoreCategory { @@ -16,10 +16,18 @@ public PublContactAuthor(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * Arbitrary identifier for this author. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("publ_contact_author_id")); + } + /** * Identifier in the IUCr contact database of the author submitting - * the manuscript and datablock. This identifier may be available - * from the World Directory of Crystallographers (http://wdc.iucr.org). + * the manuscript and data block. This identifier may be available + * from the World Directory of Crystallographers (https://wdc.iucr.org/). * @return StrColumn */ public StrColumn getIdIucr() { @@ -30,7 +38,7 @@ public StrColumn getIdIucr() { * Identifier in the ORCID Registry of the author submitting * the manuscript and data block. ORCID is an open, non-profit, * community-driven service to provide a registry of unique - * researcher identifiers (http://orcid.org). + * researcher identifiers (https://orcid.org/). * @return StrColumn */ public StrColumn getIdOrcid() { @@ -47,6 +55,18 @@ public StrColumn getAddress() { return new DelegatingStrColumn(parentBlock.getColumn("publ_contact_author_address")); } + /** + * DEPRECATED. The _publ_contact_author.name and _publ_contact_author.address + * data items should be used instead of this item. + * + * The name and address of the author submitting the manuscript and data block. + * This is the person contacted by the journal editorial staff. + * @return StrColumn + */ + public StrColumn getContactDetails() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("publ_contact_author", "publ_contact_author_contact_details")); + } + /** * E-mail address in a form recognizable to international networks. * The format of e-mail addresses is given in Section 3.4, Address @@ -78,7 +98,7 @@ public StrColumn getFax() { * @return StrColumn */ public StrColumn getName() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("publ_contact_author", "publ_contact_author_name")); + return new DelegatingStrColumn(parentBlock.getColumn("publ_contact_author_name")); } /** diff --git a/src/main/java/org/rcsb/cif/schema/core/PublManuscript.java b/src/main/java/org/rcsb/cif/schema/core/PublManuscript.java index 0b73b33ec..452da0a02 100644 --- a/src/main/java/org/rcsb/cif/schema/core/PublManuscript.java +++ b/src/main/java/org/rcsb/cif/schema/core/PublManuscript.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Category of items describing the publication manuscript. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PublManuscript extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,7 +17,7 @@ public PublManuscript(CifCoreBlock parentBlock) { } /** - * A description of the wordprocessor package and computer used to + * A description of the word processor package and computer used to * create the manuscript stored as _publ_manuscript.processed. * @return StrColumn */ diff --git a/src/main/java/org/rcsb/cif/schema/core/PublManuscriptInclExtra.java b/src/main/java/org/rcsb/cif/schema/core/PublManuscriptInclExtra.java index f02ee365f..a5fb50fb3 100644 --- a/src/main/java/org/rcsb/cif/schema/core/PublManuscriptInclExtra.java +++ b/src/main/java/org/rcsb/cif/schema/core/PublManuscriptInclExtra.java @@ -6,14 +6,7 @@ import javax.annotation.Generated; /** - * Category of data items that allow the authors of a manuscript to - * submit for publication data names that should be added to the - * standard request list employed by journal printing software. - * Although these fields are primarily intended to identify CIF data - * items that the author wishes to include in a published paper, they - * can also be used to identify data names created so that non-CIF items - * can be included in the publication. Note that *.item names MUST be - * enclosed in single quotes. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PublManuscriptInclExtra extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/PublRequested.java b/src/main/java/org/rcsb/cif/schema/core/PublRequested.java index 784ace27b..e682f2e1f 100644 --- a/src/main/java/org/rcsb/cif/schema/core/PublRequested.java +++ b/src/main/java/org/rcsb/cif/schema/core/PublRequested.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * CATEGORY of data items that enable the author to make - * specific requests to the journal office for processing. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PublRequested extends DelegatingCategory.DelegatingCifCoreCategory { @@ -29,7 +28,7 @@ public StrColumn getCategory() { } /** - * The name of the Co-editor whom the authors would like to + * The name of the coeditor whom the authors would like to * process the submitted manuscript. * @return StrColumn */ diff --git a/src/main/java/org/rcsb/cif/schema/core/PublSection.java b/src/main/java/org/rcsb/cif/schema/core/PublSection.java index 2978bf181..16b750b34 100644 --- a/src/main/java/org/rcsb/cif/schema/core/PublSection.java +++ b/src/main/java/org/rcsb/cif/schema/core/PublSection.java @@ -6,12 +6,7 @@ import javax.annotation.Generated; /** - * Manuscript section data if submitted in parts. see also - * _publ_manuscript.text and _publ_manuscript.processed. - * The _publ_section.exptl_prep, _publ_section.exptl_refinement - * and _publ_section.exptl_solution items are preferred for - * separating the chemical preparation, refinement and structure - * solution aspects of the experimental description. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PublSection extends DelegatingCategory.DelegatingCifCoreCategory { diff --git a/src/main/java/org/rcsb/cif/schema/core/Publication.java b/src/main/java/org/rcsb/cif/schema/core/Publication.java deleted file mode 100644 index ea6616421..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/Publication.java +++ /dev/null @@ -1,21 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The DICTIONARY group encompassing the CORE PUBLICATION data items defined - * and used with in the Crystallographic Information Framework (CIF). - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class Publication extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "publication"; - - public Publication(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Refine.java b/src/main/java/org/rcsb/cif/schema/core/Refine.java index ad4b505e7..24e79198e 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Refine.java +++ b/src/main/java/org/rcsb/cif/schema/core/Refine.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify information about the - * refinement of the structural model. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Refine extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,6 +16,31 @@ public Refine(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * A code describing the approach to the calculation of the + * diffracted intensities. In the kinematical approximation, + * interactions of diffracted waves with matter are neglected, and + * integrated intensities of the Bragg reflections are proportional + * to the square of the modulus of the structure factor. In the + * dynamical calculation, interactions between diffracted waves are + * taken into account, and the proportionality of the intensities and + * the structure factors is not preserved. + * @return StrColumn + */ + public StrColumn getDiffractionTheory() { + return new DelegatingStrColumn(parentBlock.getColumn("refine_diffraction_theory")); + } + + /** + * Details needed to characterize the approach to the calculation of the + * diffracted intensities, such as a description of the parameters that + * were refined dynamically. + * @return StrColumn + */ + public StrColumn getDiffractionTheoryDetails() { + return new DelegatingStrColumn(parentBlock.getColumn("refine_diffraction_theory_details")); + } + /** * Details of the refinement not specified by other data items. * @return StrColumn @@ -50,8 +74,7 @@ public FloatColumn getDensityMax() { } /** - * Standard Uncertainty of the - * Maximum density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_max. * @return FloatColumn */ public FloatColumn getDiffDensityMaxEsd() { @@ -59,8 +82,7 @@ public FloatColumn getDiffDensityMaxEsd() { } /** - * Standard Uncertainty of the - * Maximum density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_max. * @return FloatColumn */ public FloatColumn getDensityMaxSu() { @@ -68,7 +90,7 @@ public FloatColumn getDensityMaxSu() { } /** - * Miniumum density value in a difference Fourier map. + * Minimum density value in a difference Fourier map. * @return FloatColumn */ public FloatColumn getDiffDensityMin() { @@ -76,7 +98,7 @@ public FloatColumn getDiffDensityMin() { } /** - * Miniumum density value in a difference Fourier map. + * Minimum density value in a difference Fourier map. * @return FloatColumn */ public FloatColumn getDensityMin() { @@ -84,8 +106,7 @@ public FloatColumn getDensityMin() { } /** - * Standard Uncertainty of the - * Miniumum density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_min. * @return FloatColumn */ public FloatColumn getDiffDensityMinEsd() { @@ -93,8 +114,7 @@ public FloatColumn getDiffDensityMinEsd() { } /** - * Standard Uncertainty of the - * Miniumum density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_min. * @return FloatColumn */ public FloatColumn getDensityMinSu() { @@ -110,8 +130,8 @@ public FloatColumn getDensityMinSu() { * and also for defining suitable contour levels. * @return FloatColumn */ - public FloatColumn getDiffDensityRms() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_density_rms")); + public FloatColumn getDiffDensityRMS() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_RMS", "refine_diff_density_rms")); } /** @@ -124,25 +144,23 @@ public FloatColumn getDiffDensityRms() { * @return FloatColumn */ public FloatColumn getDensityRms() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_density_rms")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_RMS", "refine_diff_density_rms")); } /** - * Standard Uncertainty of the - * Root mean square density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_RMS. * @return FloatColumn */ - public FloatColumn getDiffDensityRmsEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_rms_esd", "refine_diff_density_rms_su")); + public FloatColumn getDiffDensityRMSEsd() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_RMS_esd", "refine_diff_density_rms_su")); } /** - * Standard Uncertainty of the - * Root mean square density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_RMS. * @return FloatColumn */ public FloatColumn getDensityRmsSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_rms_esd", "refine_diff_density_rms_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_RMS_esd", "refine_diff_density_rms_su")); } /** @@ -163,8 +181,8 @@ public StrColumn getAbsStructureDetails() { /** * The measure of absolute structure as defined by Flack (1983). - * For centrosymmetric structures, the only permitted value, if the - * data name is present, is 'inapplicable', represented by '.' . + * For centrosymmetric structures, the only permitted value, if + * the data item is present, is 'inapplicable', represented by '.' . * For noncentrosymmetric structures, the value must lie in the * 99.97% Gaussian confidence interval -3u =< x =< 1 + 3u and a * standard uncertainty (e.s.d.) u must be supplied. The @@ -174,13 +192,13 @@ public StrColumn getAbsStructureDetails() { * @return FloatColumn */ public FloatColumn getLsAbsStructureFlack() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_abs_structure_Flack")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack", "refine_ls_abs_structure_flack")); } /** * The measure of absolute structure as defined by Flack (1983). - * For centrosymmetric structures, the only permitted value, if the - * data name is present, is 'inapplicable', represented by '.' . + * For centrosymmetric structures, the only permitted value, if + * the data item is present, is 'inapplicable', represented by '.' . * For noncentrosymmetric structures, the value must lie in the * 99.97% Gaussian confidence interval -3u =< x =< 1 + 3u and a * standard uncertainty (e.s.d.) u must be supplied. The @@ -190,74 +208,70 @@ public FloatColumn getLsAbsStructureFlack() { * @return FloatColumn */ public FloatColumn getAbsStructureFlack() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_abs_structure_Flack")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack", "refine_ls_abs_structure_flack")); } /** - * Standard Uncertainty of the - * The measure of absolute structure as defined by Flack (1983). + * Standard uncertainty of _refine_ls.abs_structure_Flack. * @return FloatColumn */ public FloatColumn getLsAbsStructureFlackEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack_esd", "refine_ls_abs_structure_Flack_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack_esd", "refine_ls_abs_structure_flack_su")); } /** - * Standard Uncertainty of the - * The measure of absolute structure as defined by Flack (1983). + * Standard uncertainty of _refine_ls.abs_structure_Flack. * @return FloatColumn */ public FloatColumn getAbsStructureFlackSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack_esd", "refine_ls_abs_structure_Flack_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack_esd", "refine_ls_abs_structure_flack_su")); } /** * The measure of absolute structure as defined by Rogers (1981). * The value must lie in the 99.97% Gaussian confidence interval - * -1 -3u =< \h =< 1 + 3u and a standard uncertainty (e.s.d.) u must + * -1 -3u =< η =< 1 + 3u and a standard uncertainty (e.s.d.) u must * be supplied. The _enumeration.range of -1.0:1.0 is correctly - * interpreted as meaning (-1.0 - 3u) =< \h =< (1.0 + 3u). + * interpreted as meaning (-1.0 - 3u) =< η =< (1.0 + 3u). * Ref: Rogers, D. (1981). Acta Cryst. A37, 734-741. * @return FloatColumn */ public FloatColumn getLsAbsStructureRogers() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_abs_structure_Rogers")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers", "refine_ls_abs_structure_rogers")); } /** * The measure of absolute structure as defined by Rogers (1981). * The value must lie in the 99.97% Gaussian confidence interval - * -1 -3u =< \h =< 1 + 3u and a standard uncertainty (e.s.d.) u must + * -1 -3u =< η =< 1 + 3u and a standard uncertainty (e.s.d.) u must * be supplied. The _enumeration.range of -1.0:1.0 is correctly - * interpreted as meaning (-1.0 - 3u) =< \h =< (1.0 + 3u). + * interpreted as meaning (-1.0 - 3u) =< η =< (1.0 + 3u). * Ref: Rogers, D. (1981). Acta Cryst. A37, 734-741. * @return FloatColumn */ public FloatColumn getAbsStructureRogers() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_abs_structure_Rogers")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers", "refine_ls_abs_structure_rogers")); } /** - * Standard Uncertainty of the - * The measure of absolute structure as defined by Rogers (1981). + * Standard uncertainty of _refine_ls.abs_structure_Rogers. * @return FloatColumn */ public FloatColumn getLsAbsStructureRogersEsd() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers_esd", "refine_ls_abs_structure_Rogers_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers_esd", "refine_ls_abs_structure_rogers_su")); } /** - * Standard Uncertainty of the - * The measure of absolute structure as defined by Rogers (1981). + * Standard uncertainty of _refine_ls.abs_structure_Rogers. * @return FloatColumn */ public FloatColumn getAbsStructureRogersSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers_esd", "refine_ls_abs_structure_Rogers_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers_esd", "refine_ls_abs_structure_rogers_su")); } /** * Highest resolution for the reflections used in refinement. - * This corresponds to the smallest interpanar d value. + * This corresponds to the smallest interplanar d value. * @return FloatColumn */ public FloatColumn getLsDResHigh() { @@ -266,7 +280,7 @@ public FloatColumn getLsDResHigh() { /** * Highest resolution for the reflections used in refinement. - * This corresponds to the smallest interpanar d value. + * This corresponds to the smallest interplanar d value. * @return FloatColumn */ public FloatColumn getDResHigh() { @@ -275,7 +289,7 @@ public FloatColumn getDResHigh() { /** * Lowest resolution for the reflections used in refinement. - * This corresponds to the largest interpanar d value. + * This corresponds to the largest interplanar d value. * @return FloatColumn */ public FloatColumn getLsDResLow() { @@ -284,7 +298,7 @@ public FloatColumn getLsDResLow() { /** * Lowest resolution for the reflections used in refinement. - * This corresponds to the largest interpanar d value. + * This corresponds to the largest interplanar d value. * @return FloatColumn */ public FloatColumn getDResLow() { @@ -332,7 +346,7 @@ public FloatColumn getExtinctionCoef() { } /** - * Standard Uncertainty of the extinction coefficient + * Standard uncertainty of _refine_ls.extinction_coef. * @return FloatColumn */ public FloatColumn getLsExtinctionCoefEsd() { @@ -340,7 +354,7 @@ public FloatColumn getLsExtinctionCoefEsd() { } /** - * Standard Uncertainty of the extinction coefficient + * Standard uncertainty of _refine_ls.extinction_coef. * @return FloatColumn */ public FloatColumn getExtinctionCoefSu() { @@ -350,8 +364,8 @@ public FloatColumn getExtinctionCoefSu() { /** * Description of or reference to the extinction-correction equation * used to apply the data item _refine_ls.extinction_coef. This - * information should be sufficient to reproduce the extinction- - * correction factors applied to the structure factors. + * information should be sufficient to reproduce the extinction-correction + * factors applied to the structure factors. * @return StrColumn */ public StrColumn getLsExtinctionExpression() { @@ -361,8 +375,8 @@ public StrColumn getLsExtinctionExpression() { /** * Description of or reference to the extinction-correction equation * used to apply the data item _refine_ls.extinction_coef. This - * information should be sufficient to reproduce the extinction- - * correction factors applied to the structure factors. + * information should be sufficient to reproduce the extinction-correction + * factors applied to the structure factors. * @return StrColumn */ public StrColumn getExtinctionExpression() { @@ -441,11 +455,10 @@ public StrColumn getExtinctionMethod() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsGoodnessOfFitAll() { @@ -466,11 +479,10 @@ public FloatColumn getLsGoodnessOfFitAll() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getGoodnessOfFitAll() { @@ -478,8 +490,7 @@ public FloatColumn getGoodnessOfFitAll() { } /** - * Standard Uncertainty of the Least-squares goodness-of-fit - * parameter S for all reflections after the final cycle of refinement. + * Standard uncertainty of _refine_ls.goodness_of_fit_all. * @return FloatColumn */ public FloatColumn getLsGoodnessOfFitAllEsd() { @@ -487,8 +498,7 @@ public FloatColumn getLsGoodnessOfFitAllEsd() { } /** - * Standard Uncertainty of the Least-squares goodness-of-fit - * parameter S for all reflections after the final cycle of refinement. + * Standard uncertainty of _refine_ls.goodness_of_fit_all. * @return FloatColumn */ public FloatColumn getGoodnessOfFitAllSu() { @@ -498,7 +508,7 @@ public FloatColumn getGoodnessOfFitAllSu() { /** * Least-squares goodness-of-fit parameter S for significantly * intense reflections, (i.e. 'observed' reflections with values - * greater-than the threshold set in _reflns.threshold_expression), + * greater than the threshold set in _reflns.threshold_expression), * after the final cycle. Ideally, account should be taken of * parameters restrained in the least-squares refinement. * @@ -511,11 +521,10 @@ public FloatColumn getGoodnessOfFitAllSu() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsGoodnessOfFitObs() { @@ -525,7 +534,7 @@ public FloatColumn getLsGoodnessOfFitObs() { /** * Least-squares goodness-of-fit parameter S for significantly * intense reflections, (i.e. 'observed' reflections with values - * greater-than the threshold set in _reflns.threshold_expression), + * greater than the threshold set in _reflns.threshold_expression), * after the final cycle. Ideally, account should be taken of * parameters restrained in the least-squares refinement. * @@ -538,11 +547,10 @@ public FloatColumn getLsGoodnessOfFitObs() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsGoodnessOfFitGt() { @@ -552,7 +560,7 @@ public FloatColumn getLsGoodnessOfFitGt() { /** * Least-squares goodness-of-fit parameter S for significantly * intense reflections, (i.e. 'observed' reflections with values - * greater-than the threshold set in _reflns.threshold_expression), + * greater than the threshold set in _reflns.threshold_expression), * after the final cycle. Ideally, account should be taken of * parameters restrained in the least-squares refinement. * @@ -565,11 +573,10 @@ public FloatColumn getLsGoodnessOfFitGt() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getGoodnessOfFitGt() { @@ -577,8 +584,7 @@ public FloatColumn getGoodnessOfFitGt() { } /** - * Standard Uncertainty of the Least-squares goodness-of-fit - * parameter S for gt reflections after the final cycle of refinement. + * Standard uncertainty of _refine_ls.goodness_of_fit_gt. * @return FloatColumn */ public FloatColumn getLsGoodnessOfFitGtEsd() { @@ -586,8 +592,7 @@ public FloatColumn getLsGoodnessOfFitGtEsd() { } /** - * Standard Uncertainty of the Least-squares goodness-of-fit - * parameter S for gt reflections after the final cycle of refinement. + * Standard uncertainty of _refine_ls.goodness_of_fit_gt. * @return FloatColumn */ public FloatColumn getLsGoodnessOfFitObsEsd() { @@ -595,8 +600,7 @@ public FloatColumn getLsGoodnessOfFitObsEsd() { } /** - * Standard Uncertainty of the Least-squares goodness-of-fit - * parameter S for gt reflections after the final cycle of refinement. + * Standard uncertainty of _refine_ls.goodness_of_fit_gt. * @return FloatColumn */ public FloatColumn getGoodnessOfFitGtSu() { @@ -617,11 +621,10 @@ public FloatColumn getGoodnessOfFitGtSu() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsGoodnessOfFitRef() { @@ -642,11 +645,10 @@ public FloatColumn getLsGoodnessOfFitRef() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getGoodnessOfFitRef() { @@ -689,7 +691,7 @@ public StrColumn getMatrixType() { * Number of constrained (non-refined or dependent) parameters * in the least-squares process. These may be due to symmetry or any * other constraint process (e.g. rigid-body refinement). See also - * _atom_site.constraints and _atom_site.refinement_flags. A general + * _atom_site.constraints and _atom_site.refinement_flags_*. A general * description of constraints may appear in _refine.special_details. * @return IntColumn */ @@ -701,7 +703,7 @@ public IntColumn getLsNumberConstraints() { * Number of constrained (non-refined or dependent) parameters * in the least-squares process. These may be due to symmetry or any * other constraint process (e.g. rigid-body refinement). See also - * _atom_site.constraints and _atom_site.refinement_flags. A general + * _atom_site.constraints and _atom_site.refinement_flags_*. A general * description of constraints may appear in _refine.special_details. * @return IntColumn */ @@ -758,8 +760,7 @@ public IntColumn getNumberReflns() { /** * The number of reflections that satisfy the resolution limits * established by _refine_ls.d_res_high and _refine_ls.d_res_low - * and the observation limit established by - * _reflns.observed_criterion. + * and the observation limit established by _reflns.threshold_expression. * @return IntColumn */ public IntColumn getLsNumberReflnsObs() { @@ -769,8 +770,7 @@ public IntColumn getLsNumberReflnsObs() { /** * The number of reflections that satisfy the resolution limits * established by _refine_ls.d_res_high and _refine_ls.d_res_low - * and the observation limit established by - * _reflns.observed_criterion. + * and the observation limit established by _reflns.threshold_expression. * @return IntColumn */ public IntColumn getNumberReflnsGt() { @@ -781,7 +781,7 @@ public IntColumn getNumberReflnsGt() { * Number of restrained parameters in the least-squares refinement. These * parameters do not directly dependent on another refined parameter. Often * restrained parameters involve geometry or energy dependencies. See also - * _atom_site.constraints and _atom_site.refinement_flags. A description + * _atom_site.constraints and _atom_site.refinement_flags_*. A description * of refinement constraints may appear in _refine.special_details. * @return IntColumn */ @@ -793,7 +793,7 @@ public IntColumn getLsNumberRestraints() { * Number of restrained parameters in the least-squares refinement. These * parameters do not directly dependent on another refined parameter. Often * restrained parameters involve geometry or energy dependencies. See also - * _atom_site.constraints and _atom_site.refinement_flags. A description + * _atom_site.constraints and _atom_site.refinement_flags_*. A description * of refinement constraints may appear in _refine.special_details. * @return IntColumn */ @@ -812,11 +812,11 @@ public IntColumn getNumberRestraints() { * * F(meas) = the measured structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_R_factor_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_all", "refine_ls_r_factor_all")); } /** @@ -830,11 +830,11 @@ public FloatColumn getLsRFactorAll() { * * F(meas) = the measured structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_R_factor_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_all", "refine_ls_r_factor_all")); } /** @@ -850,11 +850,11 @@ public FloatColumn getRFactorAll() { * * F(meas_gt) = the 'observed' structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsRFactorObs() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_obs", "refine_ls_R_factor_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_obs", "refine_ls_R_factor_gt", "refine_ls_r_factor_gt")); } /** @@ -870,11 +870,11 @@ public FloatColumn getLsRFactorObs() { * * F(meas_gt) = the 'observed' structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsRFactorGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_obs", "refine_ls_R_factor_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_obs", "refine_ls_R_factor_gt", "refine_ls_r_factor_gt")); } /** @@ -890,11 +890,11 @@ public FloatColumn getLsRFactorGt() { * * F(meas_gt) = the 'observed' structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFactorGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_obs", "refine_ls_R_factor_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_obs", "refine_ls_R_factor_gt", "refine_ls_r_factor_gt")); } /** @@ -909,12 +909,14 @@ public FloatColumn getRFactorGt() { * sum F(meas_gt)^2^ * * F(meas_gt)^2^ = squares of the 'observed' structure-factor + * amplitudes * F(calc)^2^ = squares of the calculated structure-factor - * and the sum is taken over the specified reflections + * amplitudes + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsRFsqdFactorObs() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_Fsqd_factor_obs", "refine_ls_R_Fsqd_factor")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_Fsqd_factor_obs", "refine_ls_r_fsqd_factor")); } /** @@ -929,12 +931,14 @@ public FloatColumn getLsRFsqdFactorObs() { * sum F(meas_gt)^2^ * * F(meas_gt)^2^ = squares of the 'observed' structure-factor + * amplitudes * F(calc)^2^ = squares of the calculated structure-factor - * and the sum is taken over the specified reflections + * amplitudes + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFsqdFactor() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_Fsqd_factor_obs", "refine_ls_R_Fsqd_factor")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_Fsqd_factor_obs", "refine_ls_r_fsqd_factor")); } /** @@ -949,11 +953,11 @@ public FloatColumn getRFsqdFactor() { * * I(meas_gt) = the net 'observed' intensities * I(calc) = the net calculated intensities - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsRIFactorObs() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_I_factor_obs", "refine_ls_R_I_factor")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_I_factor_obs", "refine_ls_r_i_factor")); } /** @@ -968,11 +972,11 @@ public FloatColumn getLsRIFactorObs() { * * I(meas_gt) = the net 'observed' intensities * I(calc) = the net calculated intensities - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRIFactor() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_I_factor_obs", "refine_ls_R_I_factor")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_I_factor_obs", "refine_ls_r_i_factor")); } /** @@ -1004,11 +1008,11 @@ public FloatColumn getRIFactor() { * (see _refine_ls.number_parameters) * * sum is taken over the specified reflections - * sum~r~ is taken over the restraints + * sum~r~ is taken over the restraints. * @return FloatColumn */ public FloatColumn getLsRestrainedSAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_restrained_S_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_all", "refine_ls_restrained_s_all")); } /** @@ -1040,11 +1044,11 @@ public FloatColumn getLsRestrainedSAll() { * (see _refine_ls.number_parameters) * * sum is taken over the specified reflections - * sum~r~ is taken over the restraints + * sum~r~ is taken over the restraints. * @return FloatColumn */ public FloatColumn getRestrainedSAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_restrained_S_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_all", "refine_ls_restrained_s_all")); } /** @@ -1076,11 +1080,11 @@ public FloatColumn getRestrainedSAll() { * (see _refine_ls.number_parameters) * * sum is taken over the specified reflections - * sum~r~ is taken over the restraints + * sum~r~ is taken over the restraints. * @return FloatColumn */ public FloatColumn getLsRestrainedSObs() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_obs", "refine_ls_restrained_S_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_obs", "refine_ls_restrained_s_gt")); } /** @@ -1112,11 +1116,11 @@ public FloatColumn getLsRestrainedSObs() { * (see _refine_ls.number_parameters) * * sum is taken over the specified reflections - * sum~r~ is taken over the restraints + * sum~r~ is taken over the restraints. * @return FloatColumn */ public FloatColumn getRestrainedSGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_obs", "refine_ls_restrained_S_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_obs", "refine_ls_restrained_s_gt")); } /** @@ -1289,11 +1293,11 @@ public StrColumn getWeightingScheme() { * Y(meas) = the measured amplitude _refine_ls.structure_factor_coef * Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef * w = the least-squares weight - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsWRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_wR_factor_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_all", "refine_ls_wr_factor_all")); } /** @@ -1308,11 +1312,11 @@ public FloatColumn getLsWRFactorAll() { * Y(meas) = the measured amplitude _refine_ls.structure_factor_coef * Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef * w = the least-squares weight - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ - public FloatColumn getWRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_wR_factor_all")); + public FloatColumn getWrFactorAll() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_all", "refine_ls_wr_factor_all")); } /** @@ -1328,11 +1332,11 @@ public FloatColumn getWRFactorAll() { * Y(meas_gt) = the 'observed' amplitude _refine_ls.structure_factor_coef * Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef * w = the least-squares weight - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getLsWRFactorObs() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_obs", "refine_ls_wR_factor_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_obs", "refine_ls_wr_factor_gt")); } /** @@ -1348,11 +1352,11 @@ public FloatColumn getLsWRFactorObs() { * Y(meas_gt) = the 'observed' amplitude _refine_ls.structure_factor_coef * Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef * w = the least-squares weight - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ - public FloatColumn getWRFactorGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_obs", "refine_ls_wR_factor_gt")); + public FloatColumn getWrFactorGt() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_obs", "refine_ls_wr_factor_gt")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/RefineDiff.java b/src/main/java/org/rcsb/cif/schema/core/RefineDiff.java index e7da21452..e18fbf064 100644 --- a/src/main/java/org/rcsb/cif/schema/core/RefineDiff.java +++ b/src/main/java/org/rcsb/cif/schema/core/RefineDiff.java @@ -6,10 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the electron density limits - * in a difference Fourier map after the structure has been refined. The - * rms value is with respect to the arithmetic mean density, and is derived - * from summations over each grid point in the asymmetric unit of the cell. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class RefineDiff extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,6 +16,59 @@ public RefineDiff(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * Maximum electrostatic potential value in a difference Fourier map. + * @return FloatColumn + */ + public FloatColumn getPotentialMax() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_potential_max")); + } + + /** + * Standard uncertainty of _refine_diff.potential_max. + * @return FloatColumn + */ + public FloatColumn getPotentialMaxSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_potential_max_su")); + } + + /** + * Minimum electrostatic potential value in a difference Fourier map. + * @return FloatColumn + */ + public FloatColumn getPotentialMin() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_potential_min")); + } + + /** + * Standard uncertainty of _refine_diff.potential_min. + * @return FloatColumn + */ + public FloatColumn getPotentialMinSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_potential_min_su")); + } + + /** + * Root mean square electrostatic potential value in a difference Fourier map. + * This value is measured with respect to the arithmetic mean + * potential and is derived from summations over each grid point + * in the asymmetric unit of the cell. This quantity is useful + * for assessing the significance of *_min and *_max values, + * and also for defining suitable contour levels. + * @return FloatColumn + */ + public FloatColumn getPotentialRms() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_potential_rms")); + } + + /** + * Standard uncertainty of _refine_diff.potential_RMS. + * @return FloatColumn + */ + public FloatColumn getPotentialRmsSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_potential_rms_su")); + } + /** * Maximum density value in a difference Fourier map. * @return FloatColumn @@ -28,8 +78,7 @@ public FloatColumn getDensityMax() { } /** - * Standard Uncertainty of the - * Maximum density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_max. * @return FloatColumn */ public FloatColumn getDensityMaxSu() { @@ -37,7 +86,7 @@ public FloatColumn getDensityMaxSu() { } /** - * Miniumum density value in a difference Fourier map. + * Minimum density value in a difference Fourier map. * @return FloatColumn */ public FloatColumn getDensityMin() { @@ -45,8 +94,7 @@ public FloatColumn getDensityMin() { } /** - * Standard Uncertainty of the - * Miniumum density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_min. * @return FloatColumn */ public FloatColumn getDensityMinSu() { @@ -63,16 +111,15 @@ public FloatColumn getDensityMinSu() { * @return FloatColumn */ public FloatColumn getDensityRms() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_diff_density_rms")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_RMS", "refine_diff_density_rms")); } /** - * Standard Uncertainty of the - * Root mean square density value in a difference Fourier map. + * Standard uncertainty of _refine_diff.density_RMS. * @return FloatColumn */ public FloatColumn getDensityRmsSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_rms_esd", "refine_diff_density_rms_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_diff_density_RMS_esd", "refine_diff_density_rms_su")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/RefineLs.java b/src/main/java/org/rcsb/cif/schema/core/RefineLs.java index 440c5a087..cba4eea51 100644 --- a/src/main/java/org/rcsb/cif/schema/core/RefineLs.java +++ b/src/main/java/org/rcsb/cif/schema/core/RefineLs.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify information about the - * refinement of the structural model. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class RefineLs extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,13 +16,28 @@ public RefineLs(CifCoreBlock parentBlock) { super(NAME, parentBlock); } + /** + * The z-score is a measure of confidence in an absolute structure + * determination as described by Klar et al. (2023), based on the + * method of Le Page et al. (1990). For centrosymmetric structures, + * the only permitted value, if the data item is present, is + * 'inapplicable', represented by '.' . + * Ref: Klar, P. B. et al. (2023). Nature Chem. 15, 848-855. + * Le Page, Y., Gabe, E. J. & Gainsford, G. J. (1990). J. Appl. Cryst. + * 23, 406-411. + * @return FloatColumn + */ + public FloatColumn getAbsStructureZ_score() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_abs_structure_z-score")); + } + /** * Details concerning the evaluation of the structure factors * using the expression given in _refine_ls.F_calc_formula. * @return StrColumn */ public StrColumn getFCalcDetails() { - return new DelegatingStrColumn(parentBlock.getColumn("refine_ls_F_calc_details")); + return new DelegatingStrColumn(parentBlock.getColumn("refine_ls_f_calc_details")); } /** @@ -31,7 +45,7 @@ public StrColumn getFCalcDetails() { * @return StrColumn */ public StrColumn getFCalcFormula() { - return new DelegatingStrColumn(parentBlock.getColumn("refine_ls_F_calc_formula")); + return new DelegatingStrColumn(parentBlock.getColumn("refine_ls_f_calc_formula")); } /** @@ -42,7 +56,80 @@ public StrColumn getFCalcFormula() { * @return FloatColumn */ public FloatColumn getFCalcPrecision() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_F_calc_precision")); + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_f_calc_precision")); + } + + /** + * Standard uncertainty of _refine_ls.F_calc_precision. + * @return FloatColumn + */ + public FloatColumn getFCalcPrecisionSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_f_calc_precision_su")); + } + + /** + * Standard uncertainty of _refine_ls.goodness_of_fit_ref. + * @return FloatColumn + */ + public FloatColumn getGoodnessOfFitRefSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_goodness_of_fit_ref_su")); + } + + /** + * Standard uncertainty of _refine_ls.restrained_S_all. + * @return FloatColumn + */ + public FloatColumn getRestrainedSAllSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_restrained_s_all_su")); + } + + /** + * Standard uncertainty of _refine_ls.restrained_S_gt. + * @return FloatColumn + */ + public FloatColumn getRestrainedSGtSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_restrained_s_gt_su")); + } + + /** + * Additional details describing the sample thickness when calculated + * during dynamical refinement where this cannot be defined completely by + * the formula given in _refine_ls.sample_shape_expression. + * Ref: Palatinus, L., Petricek, V. & Correa, C. A. (2015). Acta + * Cryst. A71, 235-244. + * @return StrColumn + */ + public StrColumn getSampleShapeDetails() { + return new DelegatingStrColumn(parentBlock.getColumn("refine_ls_sample_shape_details")); + } + + /** + * Formula for the sample thickness distribution when the sample + * thickness is considered during dynamical refinement. + * Ref: Palatinus, L., Petricek, V. & Correa, C. A. (2015). Acta + * Cryst. A71, 235-244. + * @return StrColumn + */ + public StrColumn getSampleShapeExpression() { + return new DelegatingStrColumn(parentBlock.getColumn("refine_ls_sample_shape_expression")); + } + + /** + * The refined sample thickness as determined by dynamical refinement. + * Ref: Palatinus, L., Petricek, V. & Correa, C. A. (2015). Acta + * Cryst. A71, 235-244. + * @return FloatColumn + */ + public FloatColumn getSampleThickness() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_sample_thickness")); + } + + /** + * Standard uncertainty of _refine_ls.sample_thickness. + * @return FloatColumn + */ + public FloatColumn getSampleThicknessSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_sample_thickness_su")); } /** @@ -57,11 +144,11 @@ public FloatColumn getFCalcPrecision() { * Y(meas) = the measured amplitude _refine_ls.structure_factor_coef * Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef * w = the least-squares weight - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ - public FloatColumn getWRFactorRef() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_wR_factor_ref")); + public FloatColumn getWrFactorRef() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_wr_factor_ref")); } /** @@ -74,8 +161,8 @@ public StrColumn getAbsStructureDetails() { /** * The measure of absolute structure as defined by Flack (1983). - * For centrosymmetric structures, the only permitted value, if the - * data name is present, is 'inapplicable', represented by '.' . + * For centrosymmetric structures, the only permitted value, if + * the data item is present, is 'inapplicable', represented by '.' . * For noncentrosymmetric structures, the value must lie in the * 99.97% Gaussian confidence interval -3u =< x =< 1 + 3u and a * standard uncertainty (e.s.d.) u must be supplied. The @@ -85,43 +172,41 @@ public StrColumn getAbsStructureDetails() { * @return FloatColumn */ public FloatColumn getAbsStructureFlack() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_abs_structure_Flack")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack", "refine_ls_abs_structure_flack")); } /** - * Standard Uncertainty of the - * The measure of absolute structure as defined by Flack (1983). + * Standard uncertainty of _refine_ls.abs_structure_Flack. * @return FloatColumn */ public FloatColumn getAbsStructureFlackSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack_esd", "refine_ls_abs_structure_Flack_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Flack_esd", "refine_ls_abs_structure_flack_su")); } /** * The measure of absolute structure as defined by Rogers (1981). * The value must lie in the 99.97% Gaussian confidence interval - * -1 -3u =< \h =< 1 + 3u and a standard uncertainty (e.s.d.) u must + * -1 -3u =< η =< 1 + 3u and a standard uncertainty (e.s.d.) u must * be supplied. The _enumeration.range of -1.0:1.0 is correctly - * interpreted as meaning (-1.0 - 3u) =< \h =< (1.0 + 3u). + * interpreted as meaning (-1.0 - 3u) =< η =< (1.0 + 3u). * Ref: Rogers, D. (1981). Acta Cryst. A37, 734-741. * @return FloatColumn */ public FloatColumn getAbsStructureRogers() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_abs_structure_Rogers")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers", "refine_ls_abs_structure_rogers")); } /** - * Standard Uncertainty of the - * The measure of absolute structure as defined by Rogers (1981). + * Standard uncertainty of _refine_ls.abs_structure_Rogers. * @return FloatColumn */ public FloatColumn getAbsStructureRogersSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers_esd", "refine_ls_abs_structure_Rogers_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_abs_structure_Rogers_esd", "refine_ls_abs_structure_rogers_su")); } /** * Highest resolution for the reflections used in refinement. - * This corresponds to the smallest interpanar d value. + * This corresponds to the smallest interplanar d value. * @return FloatColumn */ public FloatColumn getDResHigh() { @@ -130,7 +215,7 @@ public FloatColumn getDResHigh() { /** * Lowest resolution for the reflections used in refinement. - * This corresponds to the largest interpanar d value. + * This corresponds to the largest interplanar d value. * @return FloatColumn */ public FloatColumn getDResLow() { @@ -158,7 +243,7 @@ public FloatColumn getExtinctionCoef() { } /** - * Standard Uncertainty of the extinction coefficient + * Standard uncertainty of _refine_ls.extinction_coef. * @return FloatColumn */ public FloatColumn getExtinctionCoefSu() { @@ -168,8 +253,8 @@ public FloatColumn getExtinctionCoefSu() { /** * Description of or reference to the extinction-correction equation * used to apply the data item _refine_ls.extinction_coef. This - * information should be sufficient to reproduce the extinction- - * correction factors applied to the structure factors. + * information should be sufficient to reproduce the extinction-correction + * factors applied to the structure factors. * @return StrColumn */ public StrColumn getExtinctionExpression() { @@ -219,11 +304,10 @@ public StrColumn getExtinctionMethod() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getGoodnessOfFitAll() { @@ -231,8 +315,7 @@ public FloatColumn getGoodnessOfFitAll() { } /** - * Standard Uncertainty of the Least-squares goodness-of-fit - * parameter S for all reflections after the final cycle of refinement. + * Standard uncertainty of _refine_ls.goodness_of_fit_all. * @return FloatColumn */ public FloatColumn getGoodnessOfFitAllSu() { @@ -242,7 +325,7 @@ public FloatColumn getGoodnessOfFitAllSu() { /** * Least-squares goodness-of-fit parameter S for significantly * intense reflections, (i.e. 'observed' reflections with values - * greater-than the threshold set in _reflns.threshold_expression), + * greater than the threshold set in _reflns.threshold_expression), * after the final cycle. Ideally, account should be taken of * parameters restrained in the least-squares refinement. * @@ -255,11 +338,10 @@ public FloatColumn getGoodnessOfFitAllSu() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getGoodnessOfFitGt() { @@ -267,8 +349,7 @@ public FloatColumn getGoodnessOfFitGt() { } /** - * Standard Uncertainty of the Least-squares goodness-of-fit - * parameter S for gt reflections after the final cycle of refinement. + * Standard uncertainty of _refine_ls.goodness_of_fit_gt. * @return FloatColumn */ public FloatColumn getGoodnessOfFitGtSu() { @@ -289,11 +370,10 @@ public FloatColumn getGoodnessOfFitGtSu() { * Y(calc) = the calculated coefficients * (see _refine_ls.structure_factor_coef) * w = the least-squares reflection weight - * [1/(u^2^)] - * u = standard uncertainty + * [1/(u^2^), where u = the standard uncertainty] * Nref = the number of reflections used in the refinement * Nparam = the number of refined parameters - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getGoodnessOfFitRef() { @@ -320,7 +400,7 @@ public StrColumn getMatrixType() { * Number of constrained (non-refined or dependent) parameters * in the least-squares process. These may be due to symmetry or any * other constraint process (e.g. rigid-body refinement). See also - * _atom_site.constraints and _atom_site.refinement_flags. A general + * _atom_site.constraints and _atom_site.refinement_flags_*. A general * description of constraints may appear in _refine.special_details. * @return IntColumn */ @@ -354,8 +434,7 @@ public IntColumn getNumberReflns() { /** * The number of reflections that satisfy the resolution limits * established by _refine_ls.d_res_high and _refine_ls.d_res_low - * and the observation limit established by - * _reflns.observed_criterion. + * and the observation limit established by _reflns.threshold_expression. * @return IntColumn */ public IntColumn getNumberReflnsGt() { @@ -366,7 +445,7 @@ public IntColumn getNumberReflnsGt() { * Number of restrained parameters in the least-squares refinement. These * parameters do not directly dependent on another refined parameter. Often * restrained parameters involve geometry or energy dependencies. See also - * _atom_site.constraints and _atom_site.refinement_flags. A description + * _atom_site.constraints and _atom_site.refinement_flags_*. A description * of refinement constraints may appear in _refine.special_details. * @return IntColumn */ @@ -385,11 +464,11 @@ public IntColumn getNumberRestraints() { * * F(meas) = the measured structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_R_factor_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_all", "refine_ls_r_factor_all")); } /** @@ -405,11 +484,11 @@ public FloatColumn getRFactorAll() { * * F(meas_gt) = the 'observed' structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFactorGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_obs", "refine_ls_R_factor_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_factor_obs", "refine_ls_R_factor_gt", "refine_ls_r_factor_gt")); } /** @@ -424,12 +503,14 @@ public FloatColumn getRFactorGt() { * sum F(meas_gt)^2^ * * F(meas_gt)^2^ = squares of the 'observed' structure-factor + * amplitudes * F(calc)^2^ = squares of the calculated structure-factor - * and the sum is taken over the specified reflections + * amplitudes + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFsqdFactor() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_Fsqd_factor_obs", "refine_ls_R_Fsqd_factor")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_Fsqd_factor_obs", "refine_ls_r_fsqd_factor")); } /** @@ -444,11 +525,11 @@ public FloatColumn getRFsqdFactor() { * * I(meas_gt) = the net 'observed' intensities * I(calc) = the net calculated intensities - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRIFactor() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_I_factor_obs", "refine_ls_R_I_factor")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_R_I_factor_obs", "refine_ls_r_i_factor")); } /** @@ -480,11 +561,11 @@ public FloatColumn getRIFactor() { * (see _refine_ls.number_parameters) * * sum is taken over the specified reflections - * sum~r~ is taken over the restraints + * sum~r~ is taken over the restraints. * @return FloatColumn */ public FloatColumn getRestrainedSAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_restrained_S_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_all", "refine_ls_restrained_s_all")); } /** @@ -516,11 +597,11 @@ public FloatColumn getRestrainedSAll() { * (see _refine_ls.number_parameters) * * sum is taken over the specified reflections - * sum~r~ is taken over the restraints + * sum~r~ is taken over the restraints. * @return FloatColumn */ public FloatColumn getRestrainedSGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_obs", "refine_ls_restrained_S_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_restrained_S_obs", "refine_ls_restrained_s_gt")); } /** @@ -604,11 +685,11 @@ public StrColumn getWeightingScheme() { * Y(meas) = the measured amplitude _refine_ls.structure_factor_coef * Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef * w = the least-squares weight - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ - public FloatColumn getWRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_wR_factor_all")); + public FloatColumn getWrFactorAll() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_all", "refine_ls_wr_factor_all")); } /** @@ -624,11 +705,11 @@ public FloatColumn getWRFactorAll() { * Y(meas_gt) = the 'observed' amplitude _refine_ls.structure_factor_coef * Y(calc) = the calculated amplitude _refine_ls.structure_factor_coef * w = the least-squares weight - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ - public FloatColumn getWRFactorGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_obs", "refine_ls_wR_factor_gt")); + public FloatColumn getWrFactorGt() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refine_ls_wR_factor_obs", "refine_ls_wr_factor_gt")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/RefineLsClass.java b/src/main/java/org/rcsb/cif/schema/core/RefineLsClass.java index a18d0d05c..f0b68b01a 100644 --- a/src/main/java/org/rcsb/cif/schema/core/RefineLsClass.java +++ b/src/main/java/org/rcsb/cif/schema/core/RefineLsClass.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify information about the - * refinement of the structural model. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class RefineLsClass extends DelegatingCategory.DelegatingCifCoreCategory { @@ -27,7 +26,7 @@ public StrColumn getCode() { /** * Highest resolution for the reflections in this class. - * This corresponds to the smallest interpanar d value. + * This corresponds to the smallest interplanar d value. * @return FloatColumn */ public FloatColumn getDResHigh() { @@ -36,7 +35,7 @@ public FloatColumn getDResHigh() { /** * Lowest resolution for the reflections in this class. - * This corresponds to the largest interpanar d value. + * This corresponds to the largest interplanar d value. * @return FloatColumn */ public FloatColumn getDResLow() { @@ -49,7 +48,7 @@ public FloatColumn getDResLow() { * @return FloatColumn */ public FloatColumn getRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_R_factor_all")); + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_r_factor_all")); } /** @@ -59,7 +58,7 @@ public FloatColumn getRFactorAll() { * @return FloatColumn */ public FloatColumn getRFactorGt() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_R_factor_gt")); + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_r_factor_gt")); } /** @@ -69,7 +68,7 @@ public FloatColumn getRFactorGt() { * @return FloatColumn */ public FloatColumn getRFsqdFactor() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_R_Fsqd_factor")); + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_r_fsqd_factor")); } /** @@ -79,7 +78,7 @@ public FloatColumn getRFsqdFactor() { * @return FloatColumn */ public FloatColumn getRIFactor() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_R_I_factor")); + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_r_i_factor")); } /** @@ -88,8 +87,8 @@ public FloatColumn getRIFactor() { * included in refinement. See _refine_ls.wR_factor_all for details. * @return FloatColumn */ - public FloatColumn getWRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_wR_factor_all")); + public FloatColumn getWrFactorAll() { + return new DelegatingFloatColumn(parentBlock.getColumn("refine_ls_class_wr_factor_all")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Refln.java b/src/main/java/org/rcsb/cif/schema/core/Refln.java index 0d7a506f2..9d1d21da6 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Refln.java +++ b/src/main/java/org/rcsb/cif/schema/core/Refln.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe the reflection data - * used in the refinement of a crystallographic structure model. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Refln extends DelegatingCategory.DelegatingCifCoreCategory { @@ -18,35 +17,67 @@ public Refln(CifCoreBlock parentBlock) { } /** - * The calculated real structure-factor component A =|Fcalc|cos(phase) + * The calculated real structure-factor component A =|Fcalc|cos(phase). * @return FloatColumn */ public FloatColumn getACalc() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_A_calc")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_a_calc")); } /** - * The measured real structure-factor component A =|Fmeas|cos(phase) + * Standard uncertainty of _refln.A_calc. + * @return FloatColumn + */ + public FloatColumn getACalcSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_a_calc_su")); + } + + /** + * The measured real structure-factor component A =|Fmeas|cos(phase). * @return FloatColumn */ public FloatColumn getAMeas() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_A_meas")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_a_meas")); } /** - * The calculated imaginary structure-factor component B =|Fcalc|sin(phase) + * Standard uncertainty of _refln.A_meas. + * @return FloatColumn + */ + public FloatColumn getAMeasSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_a_meas_su")); + } + + /** + * The calculated imaginary structure-factor component B =|Fcalc|sin(phase). * @return FloatColumn */ public FloatColumn getBCalc() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_B_calc")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_b_calc")); + } + + /** + * Standard uncertainty of _refln.B_calc. + * @return FloatColumn + */ + public FloatColumn getBCalcSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_b_calc_su")); } /** - * The measured imaginary structure-factor component B =|Fmeas|sin(phase) + * The measured imaginary structure-factor component B =|Fmeas|sin(phase). * @return FloatColumn */ public FloatColumn getBMeas() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_B_meas")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_b_meas")); + } + + /** + * Standard uncertainty of _refln.B_meas. + * @return FloatColumn + */ + public FloatColumn getBMeasSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_b_meas_su")); } /** @@ -74,60 +105,84 @@ public FloatColumn getDSpacing() { } /** - * The structure factor amplitude for the reflection calculated from + * The structure-factor amplitude for the reflection calculated from * the atom site data. * @return FloatColumn */ public FloatColumn getFCalc() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_F_calc")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_calc")); + } + + /** + * Standard uncertainty of _refln.F_calc. + * @return FloatColumn + */ + public FloatColumn getFCalcSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_calc_su")); } /** - * The structure factor vector for the reflection calculated from + * The structure-factor vector for the reflection calculated from * the atom site data. * @return StrColumn */ public StrColumn getFComplex() { - return new DelegatingStrColumn(parentBlock.getColumn("refln_F_complex")); + return new DelegatingStrColumn(parentBlock.getColumn("refln_f_complex")); } /** - * The structure factor amplitude for the reflection derived from the + * Standard uncertainty of _refln.F_complex. + * @return StrColumn + */ + public StrColumn getFComplexSu() { + return new DelegatingStrColumn(parentBlock.getColumn("refln_f_complex_su")); + } + + /** + * The structure-factor amplitude for the reflection derived from the * measured intensities. * @return FloatColumn */ public FloatColumn getFMeas() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_F_meas")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_meas")); } /** - * The structure factor amplitude squared for the reflection calculated from + * The structure-factor amplitude squared for the reflection calculated from * the atom site data. * @return FloatColumn */ public FloatColumn getFSquaredCalc() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_F_squared_calc")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_squared_calc")); } /** - * The structure factor amplitude for the reflection derived from the + * Standard uncertainty of _refln.F_squared_calc. + * @return FloatColumn + */ + public FloatColumn getFSquaredCalcSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_squared_calc_su")); + } + + /** + * The structure-factor amplitude for the reflection derived from the * measured intensities. * @return FloatColumn */ public FloatColumn getFSquaredMeas() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_F_squared_meas")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_squared_meas")); } /** * The figure of merit m for this reflection. * - * int P~alpha~ exp(i*alpha) dalpha - * m = -------------------------------- - * int P~alpha~ dalpha + * int P~α~ exp(i*α) dα + * m = -------------------- + * int P~α~ dα * - * P~a~ = the probability that the phase angle a is correct + * P~α~ = the probability that the phase angle α is correct * - * int is taken over the range alpha = 0 to 2 pi. + * int is taken over the range α = 0 to 2 π. * @return FloatColumn */ public FloatColumn getFom() { @@ -151,6 +206,17 @@ public IntColumn getHkl() { return new DelegatingIntColumn(parentBlock.getColumn("refln_hkl")); } + /** + * _refln.id must uniquely identify the reflection. + * + * Note that this item need not be a number; it can be any unique + * identifier. + * @return StrColumn + */ + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("refln_id")); + } + /** * The index of a reciprocal space vector. * @return IntColumn @@ -183,6 +249,14 @@ public FloatColumn getIntensityCalc() { return new DelegatingFloatColumn(parentBlock.getColumn("refln_intensity_calc")); } + /** + * Standard uncertainty of _refln.intensity_calc. + * @return FloatColumn + */ + public FloatColumn getIntensityCalcSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_intensity_calc_su")); + } + /** * The intensity of the reflection derived from the diffraction measurements. * @return FloatColumn @@ -198,7 +272,7 @@ public FloatColumn getIntensityMeas() { * @return FloatColumn */ public FloatColumn getLpFactor() { - return new DelegatingFloatColumn(parentBlock.getColumn("refln_Lp_factor")); + return new DelegatingFloatColumn(parentBlock.getColumn("refln_lp_factor")); } /** @@ -217,6 +291,14 @@ public FloatColumn getPhaseCalc() { return new DelegatingFloatColumn(parentBlock.getColumn("refln_phase_calc")); } + /** + * Standard uncertainty of _refln.phase_calc. + * @return FloatColumn + */ + public FloatColumn getPhaseCalcSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_phase_calc_su")); + } + /** * The phase of the measured structure-factor. This may be derived from * the atom site data if available or from the phase solution process @@ -227,6 +309,14 @@ public FloatColumn getPhaseMeas() { return new DelegatingFloatColumn(parentBlock.getColumn("refln_phase_meas")); } + /** + * Standard uncertainty of _refln.phase_meas. + * @return FloatColumn + */ + public FloatColumn getPhaseMeasSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("refln_phase_meas_su")); + } + /** * Status code of reflection in the structure refinement process. * @return StrColumn @@ -259,7 +349,11 @@ public IntColumn getSymmetryEpsilon() { * symmetry to the present reflection. In the Laue symmetry, Friedel * opposites (h k l and -h -k -l) are equivalent. Tables of * symmetry-equivalent reflections are available in International - * Tables for Crystallography, Volume A (1987), section 10.2. + * Tables for Crystallography, Volume A (2016), Table 3.2.3.2. + * + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return IntColumn */ public IntColumn getSymmetryMultiplicity() { @@ -285,35 +379,35 @@ public StrColumn getWavelengthId() { } /** - * The standard uncertainty of the measured structure factor amplitude. + * Standard uncertainty of _refln.F_meas. * @return FloatColumn */ public FloatColumn getFMeasSigma() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_meas_sigma", "refln_F_meas_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_meas_sigma", "refln_f_meas_su")); } /** - * The standard uncertainty of the measured structure factor amplitude. + * Standard uncertainty of _refln.F_meas. * @return FloatColumn */ public FloatColumn getFMeasSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_meas_sigma", "refln_F_meas_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_meas_sigma", "refln_f_meas_su")); } /** - * The standard uncertainty of the measured structure factor squared. + * Standard uncertainty of _refln.F_squared_meas. * @return FloatColumn */ public FloatColumn getFSquaredSigma() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_squared_sigma", "refln_F_squared_meas_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_squared_sigma", "refln_f_squared_meas_su")); } /** - * The standard uncertainty of the measured structure factor squared. + * Standard uncertainty of _refln.F_squared_meas. * @return FloatColumn */ public FloatColumn getFSquaredMeasSu() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_squared_sigma", "refln_F_squared_meas_su")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_squared_sigma", "refln_f_squared_meas_su")); } /** @@ -344,7 +438,7 @@ public StrColumn getIncludeStatus() { } /** - * standard uncertainty of the measured intensity. + * Standard uncertainty of _refln.intensity_meas. * @return FloatColumn */ public FloatColumn getIntensitySigma() { @@ -352,7 +446,7 @@ public FloatColumn getIntensitySigma() { } /** - * standard uncertainty of the measured intensity. + * Standard uncertainty of _refln.intensity_meas. * @return FloatColumn */ public FloatColumn getIntensityMeasSu() { @@ -360,7 +454,7 @@ public FloatColumn getIntensityMeasSu() { } /** - * The (sin theta)/lambda value for this reflection. + * The sin(θ)/λ value for this reflection. * @return FloatColumn */ public FloatColumn getSintOverLambda() { @@ -368,7 +462,7 @@ public FloatColumn getSintOverLambda() { } /** - * The (sin theta)/lambda value for this reflection. + * The sin(θ)/λ value for this reflection. * @return FloatColumn */ public FloatColumn getSinThetaOverLambda() { diff --git a/src/main/java/org/rcsb/cif/schema/core/Reflns.java b/src/main/java/org/rcsb/cif/schema/core/Reflns.java index 43d2f0df0..11fba0873 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Reflns.java +++ b/src/main/java/org/rcsb/cif/schema/core/Reflns.java @@ -6,13 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify parameters for the complete - * set of reflections used in the structure refinement process. Note that - * these parameters are often similar measures to those defined in the - * DIFFRN categories, but differ in that the parameters refer to the - * reduced/transformed reflections which have been used to refine the - * atom site data in the ATOM_SITE category. The DIFFRN definitions refer - * to the diffraction measurements and the raw reflection data. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class Reflns extends DelegatingCategory.DelegatingCifCoreCategory { @@ -29,12 +23,12 @@ public Reflns(CifCoreBlock parentBlock) { * @return StrColumn */ public StrColumn getApplyDispersionToFcalc() { - return new DelegatingStrColumn(parentBlock.getColumn("reflns_apply_dispersion_to_Fcalc")); + return new DelegatingStrColumn(parentBlock.getColumn("reflns_apply_dispersion_to_fcalc")); } /** * Highest resolution for the final REFLN data set. - * This corresponds to the smallest interpanar d value. + * This corresponds to the smallest interplanar d value. * @return FloatColumn */ public FloatColumn getDResolutionHigh() { @@ -43,7 +37,7 @@ public FloatColumn getDResolutionHigh() { /** * Lowest resolution for the final REFLN data set. - * This corresponds to the largest interpanar d value. + * This corresponds to the largest interplanar d value. * @return FloatColumn */ public FloatColumn getDResolutionLow() { @@ -85,7 +79,7 @@ public FloatColumn getDResolutionLow() { * @return FloatColumn */ public FloatColumn getFriedelCoverage() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_Friedel_coverage")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_friedel_coverage")); } /** @@ -100,7 +94,7 @@ public FloatColumn getFriedelCoverage() { * @return FloatColumn */ public FloatColumn getFriedelFractionFull() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_Friedel_fraction_full")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_friedel_fraction_full")); } /** @@ -115,7 +109,7 @@ public FloatColumn getFriedelFractionFull() { * @return FloatColumn */ public FloatColumn getFriedelFractionMax() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_Friedel_fraction_max")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_friedel_fraction_max")); } /** @@ -174,12 +168,20 @@ public FloatColumn getLimitMax() { return new DelegatingFloatColumn(parentBlock.getColumn("reflns_limit_max")); } + /** + * Minimum Miller indices of refined diffraction reflections. + * @return IntColumn + */ + public IntColumn getLimitMin() { + return new DelegatingIntColumn(parentBlock.getColumn("reflns_limit_min")); + } + /** * Count of reflections in the REFLN set (not the DIFFRN_REFLN set) which * are significantly intense (see _reflns.threshold_expression). It may * include Friedel equivalent reflections (i.e. those which are equivalent * under the Laue symmetry but inequivalent under the crystal class), - * depending to the nature of the structure and the procedures used. + * depending on the nature of the structure and the procedures used. * @return IntColumn */ public IntColumn getNumberObs() { @@ -191,7 +193,7 @@ public IntColumn getNumberObs() { * are significantly intense (see _reflns.threshold_expression). It may * include Friedel equivalent reflections (i.e. those which are equivalent * under the Laue symmetry but inequivalent under the crystal class), - * depending to the nature of the structure and the procedures used. + * depending on the nature of the structure and the procedures used. * @return IntColumn */ public IntColumn getNumberGt() { @@ -202,7 +204,7 @@ public IntColumn getNumberGt() { * Number of reflections in the REFLN set (not the DIFFRN_REFLN set). It may * include Friedel equivalent reflections (i.e. those which are equivalent * under the Laue symmetry but inequivalent under the crystal class), - * depending to the nature of the structure and the procedures used. + * depending on the nature of the structure and the procedures used. * @return IntColumn */ public IntColumn getNumberAll() { @@ -213,7 +215,7 @@ public IntColumn getNumberAll() { * Number of reflections in the REFLN set (not the DIFFRN_REFLN set). It may * include Friedel equivalent reflections (i.e. those which are equivalent * under the Laue symmetry but inequivalent under the crystal class), - * depending to the nature of the structure and the procedures used. + * depending on the nature of the structure and the procedures used. * @return IntColumn */ public IntColumn getNumberTotal() { diff --git a/src/main/java/org/rcsb/cif/schema/core/ReflnsClass.java b/src/main/java/org/rcsb/cif/schema/core/ReflnsClass.java index 3b3ce701c..394621baf 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ReflnsClass.java +++ b/src/main/java/org/rcsb/cif/schema/core/ReflnsClass.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the properties of reflections - * in specific classes of reflections. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ReflnsClass extends DelegatingCategory.DelegatingCifCoreCategory { @@ -27,7 +26,7 @@ public StrColumn getCode() { /** * Highest resolution for the reflections in this class. - * This corresponds to the smallest interpanar d value. + * This corresponds to the smallest interplanar d value. * @return FloatColumn */ public FloatColumn getDResHigh() { @@ -36,7 +35,7 @@ public FloatColumn getDResHigh() { /** * Lowest resolution for the reflections in this class. - * This corresponds to the largest interpanar d value. + * This corresponds to the largest interplanar d value. * @return FloatColumn */ public FloatColumn getDResLow() { @@ -56,7 +55,7 @@ public StrColumn getDescription() { * which are significantly intense (see _reflns.threshold_expression). It may * include Friedel equivalent reflections (i.e. those which are equivalent * under the Laue symmetry but inequivalent under the crystal class), - * depending to the nature of the structure and the procedures used. + * depending on the nature of the structure and the procedures used. * @return IntColumn */ public IntColumn getNumberGt() { @@ -67,7 +66,7 @@ public IntColumn getNumberGt() { * Count of reflections in this REFLN class (not the DIFFRN_REFLN set). It * may include Friedel equivalent reflections (those which are equivalent * under the Laue symmetry but inequivalent under the crystal class), - * depending to the nature of the structure and the procedures used. + * depending on the nature of the structure and the procedures used. * @return IntColumn */ public IntColumn getNumberTotal() { @@ -84,11 +83,11 @@ public IntColumn getNumberTotal() { * F(meas) = the measured structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes * - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_R_factor_all")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_r_factor_all")); } /** @@ -100,14 +99,14 @@ public FloatColumn getRFactorAll() { * R(F gt) = -------------------------------- * sum | F(meas_gt) | * - * F(meas) = the measured structure-factor amplitudes + * F(meas_gt) = the measured structure-factor amplitudes * F(calc) = the calculated structure-factor amplitudes * - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFactorGt() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_R_factor_gt")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_r_factor_gt")); } /** @@ -119,14 +118,14 @@ public FloatColumn getRFactorGt() { * R(Fsqd gt) = ------------------------------------ * sum F(meas_gt)^2^ * - * F(meas_gt)^2^ = square of the 'observed' structure-factor - * F(calc )^2^ = square of the calculated structure-factor + * F(meas_gt)^2^ = square of the 'observed' structure factors + * F(calc )^2^ = square of the calculated structure factors * - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRFsqdFactor() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_R_Fsqd_factor")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_r_fsqd_factor")); } /** @@ -138,14 +137,14 @@ public FloatColumn getRFsqdFactor() { * R(I gt) = ---------------------------- * sum | I(meas_gt) | * - * I(meas_gt) = the net 'observed' intensity - * I(calc ) = the net calculated intensity + * I(meas_gt) = the net 'observed' intensities + * I(calc ) = the net calculated intensities * - * and the sum is taken over the specified reflections + * and the sum is taken over the specified reflections. * @return FloatColumn */ public FloatColumn getRIFactor() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_R_I_factor")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_r_i_factor")); } /** @@ -167,8 +166,8 @@ public FloatColumn getRIFactor() { * and the sum is taken over the reflections of this class. * @return FloatColumn */ - public FloatColumn getWRFactorAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_wR_factor_all")); + public FloatColumn getWrFactorAll() { + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_class_wr_factor_all")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/ReflnsScale.java b/src/main/java/org/rcsb/cif/schema/core/ReflnsScale.java index 6f6408ff9..447f57ed3 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ReflnsScale.java +++ b/src/main/java/org/rcsb/cif/schema/core/ReflnsScale.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the scales needed to place - * measured structure factor coefficients on the same absolute scale. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ReflnsScale extends DelegatingCategory.DelegatingCifCoreCategory { @@ -31,7 +30,15 @@ public StrColumn getGroupCode() { * @return FloatColumn */ public FloatColumn getMeasF() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_scale_meas_F")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_scale_meas_f")); + } + + /** + * Standard uncertainty of _reflns_scale.meas_F. + * @return FloatColumn + */ + public FloatColumn getMeasFSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_scale_meas_f_su")); } /** @@ -39,7 +46,15 @@ public FloatColumn getMeasF() { * @return FloatColumn */ public FloatColumn getMeasFSquared() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_scale_meas_F_squared")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_scale_meas_f_squared")); + } + + /** + * Standard uncertainty of _reflns_scale.meas_F_squared. + * @return FloatColumn + */ + public FloatColumn getMeasFSquaredSu() { + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_scale_meas_f_squared_su")); } /** @@ -50,4 +65,12 @@ public FloatColumn getMeasIntensity() { return new DelegatingFloatColumn(parentBlock.getColumn("reflns_scale_meas_intensity")); } + /** + * Standard uncertainty of _reflns_scale.meas_intensity. + * @return FloatColumn + */ + public FloatColumn getMeasIntensitySu() { + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_scale_meas_intensity_su")); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/ReflnsShell.java b/src/main/java/org/rcsb/cif/schema/core/ReflnsShell.java index f1e6f7e2e..114086a16 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ReflnsShell.java +++ b/src/main/java/org/rcsb/cif/schema/core/ReflnsShell.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items which specify the information about - * reflections divided into shells bounded by d resolution limits. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ReflnsShell extends DelegatingCategory.DelegatingCifCoreCategory { @@ -19,7 +18,7 @@ public ReflnsShell(CifCoreBlock parentBlock) { /** * Highest resolution for the reflections in this shell. - * This corresponds to the smallest interpanar d value. + * This corresponds to the smallest interplanar d value. * @return FloatColumn */ public FloatColumn getDResHigh() { @@ -38,7 +37,7 @@ public FloatColumn getDResLimits() { /** * Lowest resolution for the reflections in this shell. - * This corresponds to the largest interpanar d value. + * This corresponds to the largest interplanar d value. * @return FloatColumn */ public FloatColumn getDResLow() { @@ -85,7 +84,7 @@ public FloatColumn getPercentPossibleAll() { * @return FloatColumn */ public FloatColumn getRmergeFAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_Rmerge_F_all")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_rmerge_f_all")); } /** @@ -104,7 +103,7 @@ public FloatColumn getRmergeFAll() { * @return FloatColumn */ public FloatColumn getRmergeIAll() { - return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_Rmerge_I_all")); + return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_rmerge_i_all")); } /** @@ -113,7 +112,7 @@ public FloatColumn getRmergeIAll() { * @return FloatColumn */ public FloatColumn getMeanIOverSigIAll() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meanI_over_suI_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meani_over_sui_all")); } /** @@ -122,7 +121,7 @@ public FloatColumn getMeanIOverSigIAll() { * @return FloatColumn */ public FloatColumn getMeanIOverUIAll() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meanI_over_suI_all")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meani_over_sui_all")); } /** @@ -130,8 +129,8 @@ public FloatColumn getMeanIOverUIAll() { * of the intensities in the shell. * @return FloatColumn */ - public FloatColumn getMeanIOverSuIAll() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meanI_over_suI_all")); + public FloatColumn getMeaniOverSuiAll() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meani_over_sui_all")); } /** @@ -141,7 +140,7 @@ public FloatColumn getMeanIOverSuIAll() { * @return FloatColumn */ public FloatColumn getMeanIOverSigIObs() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meanI_over_suI_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meani_over_sui_gt")); } /** @@ -151,7 +150,7 @@ public FloatColumn getMeanIOverSigIObs() { * @return FloatColumn */ public FloatColumn getMeanIOverSigIGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meanI_over_suI_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meani_over_sui_gt")); } /** @@ -161,7 +160,7 @@ public FloatColumn getMeanIOverSigIGt() { * @return FloatColumn */ public FloatColumn getMeanIOverUIGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meanI_over_suI_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meani_over_sui_gt")); } /** @@ -170,8 +169,8 @@ public FloatColumn getMeanIOverUIGt() { * uncertainty of the intensities in the shell. * @return FloatColumn */ - public FloatColumn getMeanIOverSuIGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meanI_over_suI_gt")); + public FloatColumn getMeaniOverSuiGt() { + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meani_over_sui_gt")); } /** @@ -251,7 +250,7 @@ public FloatColumn getPercentPossibleGt() { * @return FloatColumn */ public FloatColumn getRmergeFObs() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_F_obs", "reflns_shell_Rmerge_F_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_F_obs", "reflns_shell_rmerge_f_gt")); } /** @@ -261,7 +260,7 @@ public FloatColumn getRmergeFObs() { * @return FloatColumn */ public FloatColumn getRmergeFGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_F_obs", "reflns_shell_Rmerge_F_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_F_obs", "reflns_shell_rmerge_f_gt")); } /** @@ -271,7 +270,7 @@ public FloatColumn getRmergeFGt() { * @return FloatColumn */ public FloatColumn getRmergeIObs() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_I_obs", "reflns_shell_Rmerge_I_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_I_obs", "reflns_shell_rmerge_i_gt")); } /** @@ -281,7 +280,7 @@ public FloatColumn getRmergeIObs() { * @return FloatColumn */ public FloatColumn getRmergeIGt() { - return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_I_obs", "reflns_shell_Rmerge_I_gt")); + return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_I_obs", "reflns_shell_rmerge_i_gt")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/SpaceGroup.java b/src/main/java/org/rcsb/cif/schema/core/SpaceGroup.java index 0188d3b32..cb5e08bbd 100644 --- a/src/main/java/org/rcsb/cif/schema/core/SpaceGroup.java +++ b/src/main/java/org/rcsb/cif/schema/core/SpaceGroup.java @@ -6,27 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to specify space group - * information about the crystal used in the diffraction measurements. * - * Space-group types are identified by their number as listed in - * International Tables for Crystallography Volume A, or by their - * Schoenflies symbol. Specific settings of the space groups can - * be identified by their Hall symbol, by specifying their - * symmetry operations or generators, or by giving the - * transformation that relates the specific setting to the - * reference setting based on International Tables Volume A and - * stored in this dictionary. - * - * The commonly used Hermann-Mauguin symbol determines the - * space-group type uniquely but several different Hermann-Mauguin - * symbols may refer to the same space-group type. A - * Hermann-Mauguin symbol contains information on the choice of - * the basis, but not on the choice of origin. - * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class SpaceGroup extends DelegatingCategory.DelegatingCifCoreCategory { @@ -46,13 +26,14 @@ public SpaceGroup(CifCoreBlock parentBlock) { * setting-independent symbol oS replaces the setting-dependent * symbols oA, oB and oC. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed., p. 15. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed., + * Tables 1.3.4.1 and 2.1.1.1. + * Chichester: John Wiley & Sons. * @return StrColumn */ public StrColumn getBravaisType() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_Bravais_type")); + return new DelegatingStrColumn(parentBlock.getColumn("space_group_bravais_type")); } /** @@ -78,18 +59,18 @@ public StrColumn getCrystalSystem() { /** * A qualifier taken from the enumeration list identifying which * setting in International Tables for Crystallography Volume A - * (2002) (IT) is used. See IT Table 4.3.2.1, Section 2.2.16, - * Table 2.2.16.1, Section 2.2.16.1 and Fig. 2.2.6.4. This item - * is not computer-interpretable and cannot be used to define the + * (2016) (IT) is used. See IT Table 1.5.4.4, Section 2.1.3.15, + * Table 2.1.3.11 and Fig. 2.1.3.4. This item is not + * computer-interpretable and cannot be used to define the * coordinate system. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return StrColumn */ - public StrColumn getITCoordinateSystemCode() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_IT_coordinate_system_code")); + public StrColumn getItCoordinateSystemCode() { + return new DelegatingStrColumn(parentBlock.getColumn("space_group_it_coordinate_system_code")); } /** @@ -99,7 +80,7 @@ public StrColumn getITCoordinateSystemCode() { * @return StrColumn */ public StrColumn getLaueClass() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_Laue_class")); + return new DelegatingStrColumn(parentBlock.getColumn("space_group_laue_class")); } /** @@ -127,7 +108,7 @@ public IntColumn getMultiplicity() { * symbols. Bars should be given as negative signs before the * numbers to which they apply. * The commonly used Hermann-Mauguin symbol determines the space - * group type uniquely but a given space group type may be + * group type uniquely, but a given space group type may be * described by more than one Hermann-Mauguin symbol. The space * group type is best described using _space_group.IT_number. * The Hermann-Mauguin symbol may contain information on the @@ -136,32 +117,38 @@ public IntColumn getMultiplicity() { * list the symmetry operations. * @return StrColumn */ - public StrColumn getNameH_MAlt() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_H-M_alt")); + public StrColumn getNameH_mAlt() { + return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_h-m_alt")); + } + + /** + * A free-text description of the code appearing in + * _space_group.name_H-M_alt. + * @return StrColumn + */ + public StrColumn getNameH_mAltDescription() { + return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_h-m_alt_description")); } /** * The short international Hermann-Mauguin space-group symbol as - * defined in Section 2.2.3 and given as the first item of each - * space-group table in Part 7 of International Tables - * for Crystallography Volume A (2002). + * defined in Section 2.1.3.3 and given as the first item of each + * space-group table in Chapter 2.3 of International Tables + * for Crystallography Volume A (2016). * * Each component of the space-group name is separated by a - * space or an underscore character. The use of a space is - * strongly recommended. The underscore is only retained - * because it was used in old CIFs. It should - * not be used in new CIFs. + * space character. Subscripts appear without special symbols. + * Bars are given as negative signs before the numbers to which + * they apply. * - * Subscripts should appear without special symbols. Bars - * should be given as negative signs before the numbers to which - * they apply. The short international Hermann-Mauguin symbol - * determines the space-group type uniquely. However, the - * space-group type is better described using - * _space_group.IT_number or _space_group.name_Schoenflies. The - * short international Hermann-Mauguin symbol contains no - * information on the choice of basis or origin. To define the - * setting uniquely use _space_group.name_Hall, or list the symmetry - * operations or generators. + * The short international Hermann-Mauguin symbol determines + * the space-group type uniquely. However, the space-group + * type is better described using _space_group.IT_number or + * _space_group.name_Schoenflies. The short international + * Hermann-Mauguin symbol contains no information on the + * choice of basis or origin. To define the setting uniquely + * use _space_group.name_Hall, or list the symmetry operations + * or generators. * * _space_group.name_H-M_alt may be used to give the * Hermann-Mauguin symbol corresponding to the setting used. @@ -169,22 +156,13 @@ public StrColumn getNameH_MAlt() { * In the enumeration list, each possible value is identified by * space-group number and Schoenflies symbol. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. - * @return StrColumn - */ - public StrColumn getNameH_MRef() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_H-M_ref")); - } - - /** - * A free-text description of the code appearing in - * _space_group.name_H-M_alt. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return StrColumn */ - public StrColumn getNameH_MAltDescription() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_H-M_alt_description")); + public StrColumn getNameH_mRef() { + return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_h-m_ref")); } /** @@ -198,20 +176,20 @@ public StrColumn getNameH_MAltDescription() { * The symbol is given with a period, '.', separating the * Schoenflies point group and the superscript. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return StrColumn */ public StrColumn getNameSchoenflies() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_Schoenflies")); + return new DelegatingStrColumn(parentBlock.getColumn("space_group_name_schoenflies")); } /** * The Hermann-Mauguin symbol of the type of that centrosymmetric * symmorphic space group to which the Patterson function belongs; - * see Table 2.2.5.1 in International Tables for Crystallography - * Volume A (2002). + * see Table 2.1.3.3 in International Tables for Crystallography + * Volume A (2016). * * A space separates each symbol referring to different axes. * Underscores may replace the spaces, but this use is discouraged. @@ -219,13 +197,13 @@ public StrColumn getNameSchoenflies() { * Bars should be given as negative signs before the number * to which they apply. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed., - * Table 2.2.5.1. Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed., Table 2.1.3.3. + * Chichester: John Wiley & Sons. * @return StrColumn */ - public StrColumn getPattersonNameH_M() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_Patterson_name_H-M")); + public StrColumn getPattersonNameH_m() { + return new DelegatingStrColumn(parentBlock.getColumn("space_group_patterson_name_h-m")); } /** @@ -235,43 +213,27 @@ public StrColumn getPattersonNameH_M() { * point group of the space group belongs. * @return StrColumn */ - public StrColumn getPointGroupH_M() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_point_group_H-M")); + public StrColumn getPointGroupH_m() { + return new DelegatingStrColumn(parentBlock.getColumn("space_group_point_group_h-m")); } /** * The number as assigned in International Tables for Crystallography - * Vol A, specifying the proper affine class (i.e. the orientation + * Vol. A, specifying the proper affine class (i.e. the orientation * preserving affine class) of space groups (crystallographic space * group type) to which the space group belongs. This number defines * the space group type but not the coordinate system expressed. * @return IntColumn */ - public IntColumn getITNumber() { - return new DelegatingIntColumn(parentBlock.getAliasedColumn("symmetry_Int_Tables_number", "space_group_IT_number")); - } - - /** - * Space group symbol defined by Hall. Each component of the - * space group name is separated by a space or an underscore. - * The use of space is strongly recommended because it specifies - * the coordinate system. The underscore in the name is only - * retained because it was used in earlier archived files. It - * should not be used in new CIFs. - * Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525 - * [See also International Tables for Crystallography, - * Vol.B (1993) 1.4 Appendix B] - * @return StrColumn - */ - public StrColumn getNameHall() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_Hall", "space_group_name_Hall")); + public IntColumn getItNumber() { + return new DelegatingIntColumn(parentBlock.getAliasedColumn("symmetry_Int_Tables_number", "space_group_it_number")); } /** * The full international Hermann-Mauguin space-group symbol as - * defined in Section 2.2.3 and given as the second item of the - * second line of each of the space-group tables of Part 7 of - * International Tables for Crystallography Volume A (2002). + * defined in Section 2.1.3.3 and given as the second item of the + * second line of each of the space-group tables of Chapter 2.3 of + * International Tables for Crystallography Volume A (2016). * * Each component of the space-group name is separated by a * space or an underscore character. The use of a space is @@ -282,24 +244,40 @@ public StrColumn getNameHall() { * Subscripts should appear without special symbols. Bars should * be given as negative signs before the numbers to which they * apply. The commonly used Hermann-Mauguin symbol determines the - * space-group type uniquely but a given space-group type may + * space-group type uniquely, but a given space-group type may * be described by more than one Hermann-Mauguin symbol. The * space-group type is best described using * _space_group.IT_number or _space_group.name_Schoenflies. The * full international Hermann-Mauguin symbol contains information * about the choice of basis for monoclinic and orthorhombic - * space groups but does not give information about the choice + * space groups, but does not give information about the choice * of origin. To define the setting uniquely use * _space_group.name_Hall, or list the symmetry operations * or generators. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. + * @return StrColumn + */ + public StrColumn getNameH_mFull() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_H-M", "space_group_name_h-m_full")); + } + + /** + * Space group symbol defined by Hall. Each component of the + * space group name is separated by a space or an underscore. + * The use of space is strongly recommended because it specifies + * the coordinate system. The underscore in the name is only + * retained because it was used in earlier archived files. It + * should not be used in new CIFs. + * Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525 + * [See also International Tables for Crystallography, + * Vol. B (1993) 1.4 Appendix B] * @return StrColumn */ - public StrColumn getNameH_MFull() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_H-M", "space_group_name_H-M_full")); + public StrColumn getNameHall() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_Hall", "space_group_name_hall")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/SpaceGroupGenerator.java b/src/main/java/org/rcsb/cif/schema/core/SpaceGroupGenerator.java index 9d33e1ef3..4c0f4cf4b 100644 --- a/src/main/java/org/rcsb/cif/schema/core/SpaceGroupGenerator.java +++ b/src/main/java/org/rcsb/cif/schema/core/SpaceGroupGenerator.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to list generators for - * the space group + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class SpaceGroupGenerator extends DelegatingCategory.DelegatingCifCoreCategory { @@ -18,12 +17,11 @@ public SpaceGroupGenerator(CifCoreBlock parentBlock) { } /** - * Arbitrary identifier for each entry in the _space_group_generator.xyz - * list. + * Arbitrary identifier for each entry in the _space_group_generator.xyz list. * @return StrColumn */ - public StrColumn getKey() { - return new DelegatingStrColumn(parentBlock.getColumn("space_group_generator_key")); + public StrColumn getId() { + return new DelegatingStrColumn(parentBlock.getColumn("space_group_generator_id")); } /** @@ -37,7 +35,7 @@ public StrColumn getKey() { * X' = WX + w. * * (Note: X is used to represent the bold italic x in International - * Tables for Crystallography Volume A, Section 5.) + * Tables for Crystallography Volume A, Chapter 1.5.) * * When a list of symmetry generators is given, it is assumed * that the complete list of symmetry operations of the space @@ -50,9 +48,9 @@ public StrColumn getKey() { * W3 = W2 x W1 * w3 = W2 x w1 + w2. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return StrColumn */ public StrColumn getXyz() { diff --git a/src/main/java/org/rcsb/cif/schema/core/SpaceGroupSymop.java b/src/main/java/org/rcsb/cif/schema/core/SpaceGroupSymop.java index ebdbce7a7..ae44b3be1 100644 --- a/src/main/java/org/rcsb/cif/schema/core/SpaceGroupSymop.java +++ b/src/main/java/org/rcsb/cif/schema/core/SpaceGroupSymop.java @@ -6,8 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of data items used to describe symmetry equivalent sites - * in the crystal unit cell. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class SpaceGroupSymop extends DelegatingCategory.DelegatingCifCoreCategory { @@ -27,7 +26,7 @@ public StrColumn getOperationDescription() { } /** - * A matrix containing the symmetry rotation operations of a space group + * A matrix containing the symmetry rotation operations of a space group. * * | r11 r12 r13 | * R = | r21 r22 r23 | @@ -35,20 +34,20 @@ public StrColumn getOperationDescription() { * @return FloatColumn */ public FloatColumn getR() { - return new DelegatingFloatColumn(parentBlock.getColumn("space_group_symop_R")); + return new DelegatingFloatColumn(parentBlock.getColumn("space_group_symop_r")); } /** - * The TRANSPOSE of the symmetry rotation matrix representing the point - * group opertions of the space group + * The transpose of the symmetry rotation matrix representing the point + * group operations of the space group. * * | r11 r21 r31 | * RT = | r12 r22 r32 | * | r13 r23 r33 | * @return FloatColumn */ - public FloatColumn getRT() { - return new DelegatingFloatColumn(parentBlock.getColumn("space_group_symop_RT")); + public FloatColumn getRt() { + return new DelegatingFloatColumn(parentBlock.getColumn("space_group_symop_rt")); } /** @@ -62,7 +61,7 @@ public FloatColumn getRT() { * @return FloatColumn */ public FloatColumn getSeitzMatrix() { - return new DelegatingFloatColumn(parentBlock.getColumn("space_group_symop_Seitz_matrix")); + return new DelegatingFloatColumn(parentBlock.getColumn("space_group_symop_seitz_matrix")); } /** @@ -70,7 +69,7 @@ public FloatColumn getSeitzMatrix() { * @return FloatColumn */ public FloatColumn getT() { - return new DelegatingFloatColumn(parentBlock.getColumn("space_group_symop_T")); + return new DelegatingFloatColumn(parentBlock.getColumn("space_group_symop_t")); } /** @@ -94,10 +93,10 @@ public IntColumn getId() { * translations defined by fractions, an equivalent position * X' is generated from a given position X by the equation * - * X' = WX + w + * X' = WX + w. * * (Note: X is used to represent bold_italics_x in International - * Tables for Crystallography Vol. A, Part 5) + * Tables for Crystallography Vol. A, Part 5.) * * When a list of symmetry operations is given, it must contain * a complete set of coordinate representatives which generates diff --git a/src/main/java/org/rcsb/cif/schema/core/SpaceGroupWyckoff.java b/src/main/java/org/rcsb/cif/schema/core/SpaceGroupWyckoff.java index 14262baaa..b59a7ee72 100644 --- a/src/main/java/org/rcsb/cif/schema/core/SpaceGroupWyckoff.java +++ b/src/main/java/org/rcsb/cif/schema/core/SpaceGroupWyckoff.java @@ -6,10 +6,7 @@ import javax.annotation.Generated; /** - * Contains information about Wyckoff positions of a space group. - * Only one site can be given for each special position but the - * remainder can be generated by applying the symmetry operations - * stored in _space_group_symop.operation_xyz. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class SpaceGroupWyckoff extends DelegatingCategory.DelegatingCifCoreCategory { @@ -42,12 +39,12 @@ public StrColumn getId() { /** * The Wyckoff letter associated with this position, as given in * International Tables for Crystallography Volume A. The - * enumeration value '\a' corresponds to the Greek letter 'alpha' - * used in International Tables. + * enumeration values '\a' and α are equivalent, and correspond to + * the Greek letter 'alpha' used in International Tables. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return StrColumn */ public StrColumn getLetter() { @@ -56,12 +53,12 @@ public StrColumn getLetter() { /** * The multiplicity of this Wyckoff position as given in - * International Tables Volume A. It is the number of equivalent + * International Tables Volume A. It is the number of equivalent * sites per conventional unit cell. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return IntColumn */ public IntColumn getMultiplicity() { @@ -74,11 +71,11 @@ public IntColumn getMultiplicity() { * space group. The site-symmetry symbol indicates the symmetry * in the symmetry direction determined by the Hermann-Mauguin * symbol of the space group (see International Tables for - * Crystallography Volume A, Section 2.2.12). + * Crystallography Volume A, Section 2.1.3.12). * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return StrColumn */ public StrColumn getSiteSymmetry() { diff --git a/src/main/java/org/rcsb/cif/schema/core/Structure.java b/src/main/java/org/rcsb/cif/schema/core/Structure.java deleted file mode 100644 index e24124ffe..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/Structure.java +++ /dev/null @@ -1,21 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The DICTIONARY group encompassing the CORE STRUCTURE data items defined - * and used with in the Crystallographic Information Framework (CIF). - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class Structure extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "structure"; - - public Structure(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/Symmetry.java b/src/main/java/org/rcsb/cif/schema/core/Symmetry.java index 2a62e2761..0d5ad767b 100644 --- a/src/main/java/org/rcsb/cif/schema/core/Symmetry.java +++ b/src/main/java/org/rcsb/cif/schema/core/Symmetry.java @@ -17,7 +17,7 @@ public Symmetry(CifCoreBlock parentBlock) { } /** - * This dataname should not be used and is DEPRECATED as it is + * This data item should not be used and is DEPRECATED as it is * ambiguous. * * The original definition is as follows: @@ -31,37 +31,21 @@ public StrColumn getCellSetting() { /** * The number as assigned in International Tables for Crystallography - * Vol A, specifying the proper affine class (i.e. the orientation + * Vol. A, specifying the proper affine class (i.e. the orientation * preserving affine class) of space groups (crystallographic space * group type) to which the space group belongs. This number defines * the space group type but not the coordinate system expressed. * @return IntColumn */ public IntColumn getIntTablesNumber() { - return new DelegatingIntColumn(parentBlock.getAliasedColumn("symmetry_Int_Tables_number", "space_group_IT_number")); - } - - /** - * Space group symbol defined by Hall. Each component of the - * space group name is separated by a space or an underscore. - * The use of space is strongly recommended because it specifies - * the coordinate system. The underscore in the name is only - * retained because it was used in earlier archived files. It - * should not be used in new CIFs. - * Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525 - * [See also International Tables for Crystallography, - * Vol.B (1993) 1.4 Appendix B] - * @return StrColumn - */ - public StrColumn getSpaceGroupNameHall() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_Hall", "space_group_name_Hall")); + return new DelegatingIntColumn(parentBlock.getAliasedColumn("symmetry_Int_Tables_number", "space_group_it_number")); } /** * The full international Hermann-Mauguin space-group symbol as - * defined in Section 2.2.3 and given as the second item of the - * second line of each of the space-group tables of Part 7 of - * International Tables for Crystallography Volume A (2002). + * defined in Section 2.1.3.3 and given as the second item of the + * second line of each of the space-group tables of Chapter 2.3 of + * International Tables for Crystallography Volume A (2016). * * Each component of the space-group name is separated by a * space or an underscore character. The use of a space is @@ -72,24 +56,40 @@ public StrColumn getSpaceGroupNameHall() { * Subscripts should appear without special symbols. Bars should * be given as negative signs before the numbers to which they * apply. The commonly used Hermann-Mauguin symbol determines the - * space-group type uniquely but a given space-group type may + * space-group type uniquely, but a given space-group type may * be described by more than one Hermann-Mauguin symbol. The * space-group type is best described using * _space_group.IT_number or _space_group.name_Schoenflies. The * full international Hermann-Mauguin symbol contains information * about the choice of basis for monoclinic and orthorhombic - * space groups but does not give information about the choice + * space groups, but does not give information about the choice * of origin. To define the setting uniquely use * _space_group.name_Hall, or list the symmetry operations * or generators. * - * Ref: International Tables for Crystallography (2002). Volume A, - * Space-group symmetry, edited by Th. Hahn, 5th ed. - * Dordrecht: Kluwer Academic Publishers. + * Ref: International Tables for Crystallography (2016). Volume A, + * Space-group symmetry, edited by M. I. Aroyo, 6th ed. + * Chichester: John Wiley & Sons. * @return StrColumn */ public StrColumn getSpaceGroupNameH_M() { - return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_H-M", "space_group_name_H-M_full")); + return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_H-M", "space_group_name_h-m_full")); + } + + /** + * Space group symbol defined by Hall. Each component of the + * space group name is separated by a space or an underscore. + * The use of space is strongly recommended because it specifies + * the coordinate system. The underscore in the name is only + * retained because it was used in earlier archived files. It + * should not be used in new CIFs. + * Ref: Hall, S. R. (1981). Acta Cryst. A37, 517-525 + * [See also International Tables for Crystallography, + * Vol. B (1993) 1.4 Appendix B] + * @return StrColumn + */ + public StrColumn getSpaceGroupNameHall() { + return new DelegatingStrColumn(parentBlock.getAliasedColumn("symmetry_space_group_name_Hall", "space_group_name_hall")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/SymmetryEquiv.java b/src/main/java/org/rcsb/cif/schema/core/SymmetryEquiv.java index 88827fdc9..ce462d958 100644 --- a/src/main/java/org/rcsb/cif/schema/core/SymmetryEquiv.java +++ b/src/main/java/org/rcsb/cif/schema/core/SymmetryEquiv.java @@ -37,10 +37,10 @@ public IntColumn getPosSiteId() { * translations defined by fractions, an equivalent position * X' is generated from a given position X by the equation * - * X' = WX + w + * X' = WX + w. * * (Note: X is used to represent bold_italics_x in International - * Tables for Crystallography Vol. A, Part 5) + * Tables for Crystallography Vol. A, Part 5.) * * When a list of symmetry operations is given, it must contain * a complete set of coordinate representatives which generates diff --git a/src/main/java/org/rcsb/cif/schema/core/Valence.java b/src/main/java/org/rcsb/cif/schema/core/Valence.java deleted file mode 100644 index d85ee9af6..000000000 --- a/src/main/java/org/rcsb/cif/schema/core/Valence.java +++ /dev/null @@ -1,21 +0,0 @@ -package org.rcsb.cif.schema.core; - -import org.rcsb.cif.model.*; -import org.rcsb.cif.schema.*; - -import javax.annotation.Generated; - -/** - * The CATEGORY of items used to specify bond valence parameters - * used to calculate bond valences from bond lengths. - */ -@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") -public class Valence extends DelegatingCategory.DelegatingCifCoreCategory { - private static final String NAME = "valence"; - - public Valence(CifCoreBlock parentBlock) { - super(NAME, parentBlock); - } - - -} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/ValenceParam.java b/src/main/java/org/rcsb/cif/schema/core/ValenceParam.java index b05d9b22e..828280a8e 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ValenceParam.java +++ b/src/main/java/org/rcsb/cif/schema/core/ValenceParam.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of items for listing bond valences. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ValenceParam extends DelegatingCategory.DelegatingCifCoreCategory { @@ -17,7 +17,7 @@ public ValenceParam(CifCoreBlock parentBlock) { } /** - * Atom type symbol for atom 1 forming a bond whose + * The atom type symbol for atom 1 forming a bond whose * valence parameters are given in this category. * @return StrColumn */ @@ -26,8 +26,8 @@ public StrColumn getAtom1() { } /** - * The formal charge of the atom 1 whose bond - * valence parameters are given in this category. + * The formal charge of the atom 1 whose bond-valence parameters + * are given in this category. * @return FloatColumn */ public FloatColumn getAtom1Valence() { @@ -44,8 +44,8 @@ public StrColumn getAtom2() { } /** - * The formal charge of the atom 2 whose bond - * valence parameters are given in this category. + * The formal charge of the atom 2 whose bond-valence parameters + * are given in this category. * @return FloatColumn */ public FloatColumn getAtom2Valence() { @@ -53,16 +53,28 @@ public FloatColumn getAtom2Valence() { } /** - * The bond valence parameter B used in the expression - * s = exp[(Ro - R)/B] where s is the valence of bond length R. + * The bond-valence parameter B used in the expression + * s = exp[(Ro - R)/B], where s is the valence of bond length R. * @return FloatColumn */ public FloatColumn getB() { - return new DelegatingFloatColumn(parentBlock.getColumn("valence_param_B")); + return new DelegatingFloatColumn(parentBlock.getColumn("valence_param_b")); + } + + /** + * Code linking parameters to the key _citation.id in the reference + * list in category CITATION. This may be used when the source of the + * bond valence parameters is included in an article reference list, + * instead of in a separate VALENCE_REF list. Use of this item does not + * preclude the use also of _valence_param.ref_id. + * @return StrColumn + */ + public StrColumn getCitationId() { + return new DelegatingStrColumn(parentBlock.getColumn("valence_param_citation_id")); } /** - * Details of valence parameters of stated bond. + * Details of or comments on the bond-valence parameters of the stated bond. * @return StrColumn */ public StrColumn getDetails() { @@ -78,8 +90,10 @@ public IntColumn getId() { } /** - * Code linking parameters to the key _valence_ref.id key - * in the reference list in category VALENCE_REF. + * Code linking parameters to the key _valence_ref.id in the list of + * standard literature references for bond-valence parameters tabulated + * in category VALENCE_REF. Use of this item does not preclude links to + * references in the article citation list using _valence_param.citation_id. * @return StrColumn */ public StrColumn getRefId() { @@ -87,12 +101,12 @@ public StrColumn getRefId() { } /** - * The bond valence parameter Ro used in the expression - * s = exp[(Ro - R)/B] where s is the valence of bond length R. + * The bond-valence parameter Ro used in the expression + * s = exp[(Ro - R)/B], where s is the valence of bond length R. * @return FloatColumn */ public FloatColumn getRo() { - return new DelegatingFloatColumn(parentBlock.getColumn("valence_param_Ro")); + return new DelegatingFloatColumn(parentBlock.getColumn("valence_param_ro")); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/core/ValenceRef.java b/src/main/java/org/rcsb/cif/schema/core/ValenceRef.java index 6fd97524a..2603dd114 100644 --- a/src/main/java/org/rcsb/cif/schema/core/ValenceRef.java +++ b/src/main/java/org/rcsb/cif/schema/core/ValenceRef.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * The CATEGORY of items for listing valence references. + * */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class ValenceRef extends DelegatingCategory.DelegatingCifCoreCategory { @@ -25,8 +25,8 @@ public StrColumn getId() { } /** - * Literature reference from which the valence parameters - * identified by _valence_param.id were taken + * Literature reference from which the bond-valence parameters + * identified by _valence_param.id were taken. * @return StrColumn */ public StrColumn getReference() { diff --git a/src/main/java/org/rcsb/cif/schema/generator/SchemaGenerator.java b/src/main/java/org/rcsb/cif/schema/generator/SchemaGenerator.java index abf2e144a..8f299faf5 100644 --- a/src/main/java/org/rcsb/cif/schema/generator/SchemaGenerator.java +++ b/src/main/java/org/rcsb/cif/schema/generator/SchemaGenerator.java @@ -12,11 +12,18 @@ import org.rcsb.cif.schema.DelegatingFloatColumn; import org.rcsb.cif.schema.DelegatingIntColumn; import org.rcsb.cif.schema.DelegatingStrColumn; +import org.rcsb.cif.schema.StandardSchemata; import java.io.BufferedReader; +import java.io.ByteArrayInputStream; +import java.io.File; import java.io.IOException; +import java.io.InputStream; import java.io.InputStreamReader; +import java.io.UncheckedIOException; +import java.lang.reflect.Field; import java.net.URL; +import java.nio.charset.StandardCharsets; import java.nio.file.Files; import java.nio.file.Path; import java.nio.file.Paths; @@ -42,21 +49,22 @@ */ @SuppressWarnings("ALL") public class SchemaGenerator { - private static final Path OUTPUT_PATH = Paths.get("/Users/sebastian/model/"); private static final String BASE_PACKAGE = "org.rcsb.cif.schema."; private static final String RE_MATRIX_FIELD = "\\[[1-3]]\\[[1-3]]"; private static final String RE_VECTOR_FIELD = "\\[[1-3]]"; private static final List FORCE_INT_FIELDS = List.of("_atom_site.id", - "_atom_site.auth_seq_id", - "_pdbx_struct_mod_residue.auth_seq_id", - "_struct_conf.beg_auth_seq_id", - "_struct_conf.end_auth_seq_id", - "_struct_conn.ptnr1_auth_seq_id", - "_struct_conn.ptnr2_auth_seq_id", - "_struct_sheet_range.beg_auth_seq_id", - "_struct_sheet_range.end_auth_seq_id"); - + "_atom_site.auth_seq_id", + "_pdbx_struct_mod_residue.auth_seq_id", + "_struct_conf.beg_auth_seq_id", + "_struct_conf.end_auth_seq_id", + "_struct_conn.ptnr1_auth_seq_id", + "_struct_conn.ptnr2_auth_seq_id", + "_struct_sheet_range.beg_auth_seq_id", + "_struct_sheet_range.end_auth_seq_id"); + + private static final String FILE = loadTemplate("File.tpl"); + private static final String FILE_BUILDER = loadTemplate("FileBuilder.tpl"); private static final String BLOCK = loadTemplate("Block.tpl"); private static final String BLOCK_FLAT = loadTemplate("BlockFlat.tpl"); private static final String CASE = loadTemplate("Case.tpl"); @@ -82,6 +90,7 @@ private static String loadTemplate(String name) { } private final String schemaName; + private final String schemaEnum; private final String packageName; private final boolean flat; private final Map schema; @@ -92,15 +101,21 @@ private static String loadTemplate(String name) { private final List> aliases; public static void main(String[] args) throws IOException { - new SchemaGenerator("MmCif", "mm", false, - "http://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic", - "https://raw.githubusercontent.com/ihmwg/IHM-dictionary/master/ihm-extension.dic", + new SchemaGenerator("MmCif", "MMCIF", "mm", false, + "https://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic", + "https://raw.githubusercontent.com/ihmwg/IHMCIF/master/dist/mmcif_ihm_ext.dic", "https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/entity_branch-extension.dic", - "https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/chem_comp-extension.dic"); -// new SchemaGenerator("CifCore", "core", true, -// "https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_enum.cif", -// "https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_attr.cif", -// "https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic"); // has to be last + "https://raw.githubusercontent.com/pdbxmmcifwg/carbohydrate-extension/master/dict/chem_comp-extension.dic", + "https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic"); // model-extension for predicted models + + new SchemaGenerator("CifCore", "CIF_CORE", "core", true, + "https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_enum.cif", + "https://raw.githubusercontent.com/COMCIFS/cif_core/master/templ_attr.cif", + "https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic"); // has to be last + + // NMR Exchange Format - TODO special usage of save-frames +// new SchemaGenerator("Nef", "NEF", "nef", false, +// "https://raw.githubusercontent.com/NMRExchangeFormat/NEF/master/specification/mmcif_nef.dic"); } static String toClassName(String rawName) { @@ -124,12 +139,39 @@ static String toClassName(String rawName) { } private void writeClasses() throws IOException { - writeBlockImpl(schema, OUTPUT_PATH); + // create or clear out destination directory + // be careful with this and point to temp directory when in trouble - the impl must be in a healthy state to + // bootstrap itself and generate schema-related code + Path projectPath = Paths.get(new File("").getAbsolutePath()); + String basePackagePath = BASE_PACKAGE.substring(0, BASE_PACKAGE.length() - 1).replace(".", "/"); + Path packagePath = projectPath.resolve("src").resolve("main").resolve("java").resolve(basePackagePath).resolve(packageName); + + if (Files.exists(packagePath)) { + try (Stream paths = Files.list(packagePath)) { + paths.filter(p -> !Files.isDirectory(p)) + .forEach(p -> { + try { + Files.delete(p); + } catch (IOException e) { + throw new UncheckedIOException(e); + } + }); + } + } else { + Files.createDirectories(packagePath); + } + + writeFiles(schema, packagePath); } - private void writeBlockImpl(Map content, Path path) throws IOException { + private void writeFiles(Map content, Path path) throws IOException { Set alreadyWritten = new TreeSet<>(String.CASE_INSENSITIVE_ORDER); - String className = schemaName + "Block"; + String blockName = schemaName + "Block"; + String file = FILE.replace("{packageName}", packageName) + .replace("{schemaName}", schemaName); + String fileBuilder = FILE_BUILDER.replace("{packageName}", packageName) + .replace("{schemaName}", schemaName) + .replace("{schemaEnum}", schemaEnum); String block = (flat ? BLOCK_FLAT : BLOCK).replace("{packageName}", packageName) .replace("{schemaName}", schemaName); String blockBuilder = (flat ? BLOCK_BUILDER_FLAT : BLOCK_BUILDER).replace("{packageName}", packageName) @@ -180,9 +222,11 @@ private void writeBlockImpl(Map content, Path path) throws IOExce blockBuilder = blockBuilder.replace("{enters}", enters.toString()); categoryBuilder = categoryBuilder.replace("{enters}", categoryEnters.toString()); - Files.write(path.resolve(schemaName + "BlockBuilder.java"), blockBuilder.toString().getBytes()); - Files.write(path.resolve(schemaName + "CategoryBuilder.java"), categoryBuilder.toString().getBytes()); - Files.write(path.resolve(className + ".java"), block.toString().getBytes()); + Files.write(path.resolve(schemaName + "File.java"), file.getBytes()); + Files.write(path.resolve(schemaName + "FileBuilder.java"), fileBuilder.getBytes()); + Files.write(path.resolve(schemaName + "BlockBuilder.java"), blockBuilder.getBytes()); + Files.write(path.resolve(schemaName + "CategoryBuilder.java"), categoryBuilder.getBytes()); + Files.write(path.resolve(blockName + ".java"), block.getBytes()); } private String prepareDescription(String description, String prefix) { @@ -197,10 +241,6 @@ private void writeCategory(String categoryDescription, String className, Table c if (!Files.exists(path)) { Files.createDirectory(path); } - Path generatedPath = path.resolve("generated"); - if (!Files.exists(generatedPath)) { - Files.createDirectory(generatedPath); - } categoryDescription = prepareDescription(categoryDescription, " * "); String category = (flat ? CATEGORY_FLAT : CATEGORY).replace("{packageName}", packageName) @@ -218,7 +258,7 @@ private void writeCategory(String categoryDescription, String className, Table c String flatName = categoryName + "_" + columnName; Col column = (Col) entry.getValue(); - // check if this is a alias in place here - if so handled specifically lateron + // check if there is a alias in place here - if so handled specifically lateron if (aliases.stream() .anyMatch(list -> list.contains(categoryName + "." + columnName))) { continue; @@ -226,9 +266,7 @@ private void writeCategory(String categoryDescription, String className, Table c String columnClassName = toClassName(columnName); Class baseClass = getBaseClass(column.getType()); - Class delegatingBaseClass = getDelegatingBaseClass(column.getType()); String baseClassName = baseClass.getSimpleName(); - String delegatingBaseClassName = delegatingBaseClass.getSimpleName(); String description = prepareDescription(column.getDescription(), " * "); getters.add((flat ? CATEGORY_GETTER_FLAT : CATEGORY_GETTER).replace("{columnDescription}", description) @@ -276,7 +314,6 @@ private void writeCategory(String categoryDescription, String className, Table c Class baseClass = getBaseClass(column.getType()); Class delegatingBaseClass = getDelegatingBaseClass(column.getType()); String baseClassName = baseClass.getSimpleName(); - String delegatingBaseClassName = delegatingBaseClass.getSimpleName(); String description = prepareDescription(column.getDescription(), " * "); getters.add(CATEGORY_GETTER_FLAT.replace("{columnDescription}", description) @@ -301,7 +338,7 @@ private void writeCategory(String categoryDescription, String className, Table c .replace("{categoryName}", categoryName) .replace("{columnEnters}", enters.toString())); - Files.write(path.resolve("generated").resolve(className + ".java"), category.toString().getBytes()); + Files.write(path.resolve(className + ".java"), category.getBytes()); } private Class getBaseClass(String type) { @@ -351,8 +388,9 @@ private Class getDelegatingBaseClass(String type) { } } - private SchemaGenerator(String schemaName, String packageName, boolean flat, String... resource) throws IOException { + private SchemaGenerator(String schemaName, String schemaEnum, String packageName, boolean flat, String... resource) throws IOException { this.schemaName = schemaName; + this.schemaEnum = schemaEnum; this.packageName = packageName; this.flat = flat; this.schema = new LinkedHashMap<>(); @@ -362,13 +400,20 @@ private SchemaGenerator(String schemaName, String packageName, boolean flat, Str this.rawAliases = new LinkedHashMap<>(); this.aliases = new ArrayList<>(); for (String res : resource) { - System.out.println(res); - CifFile cifFile = CifIO.readFromURL(new URL(res)); + System.out.println("Loading dictionary from: " + res); + CifFile cifFile = CifIO.readFromInputStream(preprocess(res)); if (schemaName.equals("MmCif")) { getCategoryMetadataMmcif(cifFile); } else if (schemaName.equals("CifCore")) { getCategoryMetadataCifCore(cifFile); } + + // acquire metadata + Category dictionary = cifFile.getBlocks().get(0).getCategory("dictionary"); + String title = dictionary.isDefined() ? dictionary.getColumn("title").getStringData(0) : res.substring(res.lastIndexOf("/") + 1); + String version = dictionary.isDefined() ? dictionary.getColumn("version").getStringData(0) : "draft"; + System.out.println(title + " with version " + version); + buildListOfLinksBetweenCategories(cifFile); } getFieldData(); @@ -376,6 +421,24 @@ private SchemaGenerator(String schemaName, String packageName, boolean flat, Str prepareAliases(); } writeClasses(); + + System.out.println("Finished file generation"); + try { + Field field = StandardSchemata.class.getField(schemaEnum); + } catch (Exception e) { + System.err.println("Schema with name '" + schemaEnum + "' must be explicitly added to StandardSchemata.java!"); + } + System.out.println(); + } + + private InputStream preprocess(String res) throws IOException { + try (InputStream inputStream = new URL(res).openStream()) { + String content = new String(inputStream.readAllBytes(), StandardCharsets.UTF_8); + // this is needed for https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic + // TODO proper CIF 2.0 (or at least list support, or at the very least don't hard-code this here...) + content = content.replace("[translucent pale green]", "'[translucent pale green]'"); + return new ByteArrayInputStream(content.getBytes(StandardCharsets.UTF_8)); + } } private void getFieldData() { @@ -389,7 +452,7 @@ private void getFieldData() { if (saveFrame.getCategories().containsKey("import")) { parseImportGet(saveFrame.getCategory("import").getColumn("get").getStringData(0)) .filter(Import::isValid) - .filter(i -> imports.containsKey(i.save) && imports.get(i.save).size() > 0) + .filter(i -> imports.containsKey(i.save) && !imports.get(i.save).isEmpty()) .map(i -> imports.get(i.save)) .forEach(i -> saveFrame.getCategories().putAll(i)); } @@ -432,7 +495,7 @@ private void getFieldData() { fields.put(itemName, new VectorCol(description)); } else { List code = getCode(saveFrame); - if (code.size() > 0) { + if (!code.isEmpty()) { Col fieldType = getFieldType(code.get(0), description, code.subList(1, code.size())); fields.put(itemName, fieldType); } @@ -451,7 +514,7 @@ private List getAliases(Block saveFrame) { return Collections.emptyList(); } return IntStream.range(0, field.getRowCount()) - .mapToObj(i -> column.getStringData(i)) + .mapToObj(column::getStringData) .map(s -> s.substring(1)) .collect(Collectors.toList()); } @@ -468,7 +531,7 @@ private Col getFieldType(String type, String description, List values) { case "uchar3": case "uchar1": case "boolean": - return values.size() > 0 ? new EnumCol(values, "str", description) : new StrCol(description); + return values.isEmpty() ? new StrCol(description) : new EnumCol(values, "str", description); case "aliasname": case "name": case "idname": @@ -507,7 +570,7 @@ private Col getFieldType(String type, String description, List values) { case "int": case "non_negative_int": case "positive_int": - return values.size() > 0 ? new EnumCol(values, "int", description) : new IntCol(description); + return values.isEmpty() ? new IntCol(description) : new EnumCol(values, "int", description); case "float": return new FloatCol(description); case "ec-type": @@ -567,12 +630,11 @@ private Stream getEnums(Block saveFrame) { } private String getSubCategory(Block saveFrame) { - try { - Column value = getField("item_sub_category", "id", saveFrame); - return value.getStringData(0); - } catch (NullPointerException e) { + Column value = getField("item_sub_category", "id", saveFrame); + if (value == null) { return ""; } + return value.getStringData(0); } private String getDescription(Block saveFrame) { @@ -695,8 +757,8 @@ private void getCategoryMetadataCifCore(CifFile cifFile) { } } - private static final Pattern savePattern = Pattern.compile("('save'|'save'):([^ \t\n]+)"); - private static final Pattern filePattern = Pattern.compile("('file'|'file'):([^ \t\n]+)"); + private static final Pattern savePattern = Pattern.compile("('save'|\"save\"):([^ \t\n]+)"); + private static final Pattern filePattern = Pattern.compile("('file'|\"file\"):([^ \t\n]+)"); private Stream parseImportGet(String s) { // [{'save':hi_ang_Fox_coeffs 'file':templ_attr.cif} {'save':hi_ang_Fox_c0 'file':templ_enum.cif}] @@ -770,7 +832,7 @@ private void prepareAliases() { Optional> optional = aliases.stream() // find sets of name referencing this - .filter(set -> alias.stream().anyMatch(a -> set.contains(a))) + .filter(set -> alias.stream().anyMatch(set::contains)) .findFirst(); if (optional.isPresent()) { @@ -788,7 +850,7 @@ private void prepareAliases() { .filter(categoryName -> !schema.containsKey(categoryName)) .forEach(categoryName -> { // System.out.println("additional category: " + categoryName); - Table table = schema.computeIfAbsent(categoryName, e -> new Table("", new HashSet<>(), new LinkedHashMap<>())); + schema.computeIfAbsent(categoryName, e -> new Table("", new HashSet<>(), new LinkedHashMap<>())); }); } } diff --git a/src/main/java/org/rcsb/cif/schema/mm/ArrayData.java b/src/main/java/org/rcsb/cif/schema/mm/ArrayData.java new file mode 100644 index 000000000..77c6b233a --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/ArrayData.java @@ -0,0 +1,369 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the ARRAY_DATA category are the containers for + * the array data items described in the category ARRAY_STRUCTURE. + * + * It is recognized that the data in this category need to be used in + * two distinct ways. During a data collection the lack of ancillary + * data and timing constraints in processing data may dictate the + * need to make a 'miniCBF', nothing more than an essential minimum + * of information to record the results of the data collection. In that + * case it is proper to use the ARRAY_DATA category as a + * container for just a single image and a compacted, beamline-dependent + * list of data collection parameter values. In such + * a case, only the tags '_array_data.header_convention', + * '_array_data.header_contents' and '_array_data.data' need be + * populated. + * + * For full processing and archiving, most of the tags in this + * dictionary will need to be populated. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class ArrayData extends DelegatingCategory { + public ArrayData(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "array_id": + return getArrayId(); + case "binary_id": + return getBinaryId(); + case "data": + return getData(); + case "external_data_id": + return getExternalDataId(); + case "header_contents": + return getHeaderContents(); + case "header_convention": + return getHeaderConvention(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This item is a pointer to _array_structure.id in the + * ARRAY_STRUCTURE category. + * + * If not given, it defaults to 1. + * @return StrColumn + */ + public StrColumn getArrayId() { + return delegate.getColumn("array_id", DelegatingStrColumn::new); + } + + /** + * This item is an integer identifier which, along with + * _array_data.array_id, should uniquely identify the + * particular block of array data. + * + * If _array_data.binary_id is not explicitly given, + * it defaults to 1. + * + * The value of _array_data.binary_id distinguishes + * among multiple sets of data with the same array + * structure. + * + * If the MIME header of the data array specifies a + * value for X-Binary-ID, the value of _array_data.binary_id + * should be equal to the value given for X-Binary-ID. + * @return IntColumn + */ + public IntColumn getBinaryId() { + return delegate.getColumn("binary_id", DelegatingIntColumn::new); + } + + /** + * The value of _array_data.data contains the array data + * encapsulated in a STAR string. The value of this item is + * required unless a value is given for + * _array_data.external_data_id instead, in which + * case, a null value of '.' should be given here. + * + * The representation used is a variant on the + * Multipurpose Internet Mail Extensions (MIME) specified + * in RFC 2045-2049 by N. Freed et al. The boundary + * delimiter used in writing an imgCIF or CBF is + * \n--CIF-BINARY-FORMAT-SECTION-- (including the + * required initial \n--, where \n represents the system + * newline character(s)). + * + * The Content-Type may be any of the discrete types permitted + * in RFC 2045; 'application/octet-stream' is recommended + * for diffraction images in the ARRAY_DATA category. + * Note: When appropriate in other categories, e.g. for + * photographs of crystals, more precise types, such as + * 'image/jpeg', 'image/tiff', 'image/png', etc. should be used. + * + * If an octet stream was compressed, the compression should + * be specified by the parameter + * conversions="X-CBF_PACKED" + * or the parameter + * conversions="X-CBF_CANONICAL" + * or the parameter + * conversions="X-CBF_BYTE_OFFSET" + * or the parameter + * conversions="X-CBF_BACKGROUND_OFFSET_DELTA" + * + * If the parameter + * conversions="X-CBF_PACKED" + * is given it may be further modified with the parameters + * uncorrelated_sections + * or + * flat + * (e.g. conversions="X-CBF_PACKED flat"). + * In such cases the _array_structure.compression_type_flag + * should also be present with the corresponding value. + * + * If the "uncorrelated_sections" parameter is + * given, each section will be compressed without using + * the prior section for averaging. + * + * If the "flat" parameter is given, each + * image will be treated as one long row. + * + * Note that X-CBF_CANONICAL and X-CBF_PACKED are + * slower but more efficient compressions than the others. + * The X-CBF_BYTE_OFFSET compression is a good compromise + * between speed and efficiency for ordinary diffraction + * images. The X-CBF_BACKGROUND_OFFSET_DELTA compression + * is oriented towards sparse data, such as masks and + * tables of replacement pixel values for images with + * overloaded spots. + * + * The Content-Transfer-Encoding may be 'BASE64', + * 'Quoted-Printable', 'X-BASE8', 'X-BASE10', + * 'X-BASE16' or 'X-BASE32K', for an imgCIF or 'BINARY' + * for a CBF. The octal, decimal and hexadecimal transfer + * encodings are provided for convenience in debugging and + * are not recommended for archiving and data interchange. + * + * In a CIF, one of the parameters 'charset=us-ascii', + * 'charset=utf-8' or 'charset=utf-16' may be used on the + * Content-Transfer-Encoding to specify the character set + * used for the external presentation of the encoded data. + * If no charset parameter is given, the character set of + * the enclosing CIF is assumed. In any case, if a BOM + * flag is detected (FE FF for big-endian UTF-16, FF FE for + * little-endian UTF-16 or EF BB BF for UTF-8) is detected, + * the indicated charset will be assumed until the end of the + * encoded data or the detection of a different BOM. The + * charset of the Content-Transfer-Encoding is not the character + * set of the encoded data, only the character set of the + * presentation of the encoded data and should be respecified + * for each distinct STAR string. + * + * In an imgCIF file, the encoded binary data begin after + * the empty line terminating the header. In an imgCIF file, + * the encoded binary data ends with the terminating boundary + * delimiter '\n--CIF-BINARY-FORMAT-SECTION----' + * in the currently effective charset or with the '\n;' + * that terminates the STAR string. + * + * In a CBF, the raw binary data begin after an empty line + * terminating the header and after the sequence: + * + * Octet Hex Decimal Purpose + * 0 0C 12 Ctrl-L: page break + * 1 1A 26 Ctrl-Z: stop listings, MS-DOS + * 2 04 04 Ctrl-D: stop listings, UNIX + * 3 D5 213 binary section begins + * + * None of these octets are included in the calculation of + * the message size or in the calculation of the + * message digest. + * + * The X-Binary-Size header specifies the size of the + * equivalent binary data in octets. If compression was + * used, this size is the size after compression, including + * any book-keeping fields. An adjustment is made for + * the deprecated binary formats in which eight bytes of binary + * header are used for the compression type. In this case, + * the eight bytes used for the compression type are subtracted + * from the size, so that the same size will be reported + * if the compression type is supplied in the MIME header. + * Use of the MIME header is the recommended way to + * supply the compression type. In general, no portion of + * the binary header is included in the calculation of the size. + * + * The X-Binary-Element-Type header specifies the type of + * binary data in the octets, using the same descriptive + * phrases as in _array_structure.encoding_type. The default + * value is 'unsigned 32-bit integer'. + * + * An MD5 message digest may, optionally, be used. The 'RSA Data + * Security, Inc. MD5 Message-Digest Algorithm' should be used. + * No portion of the header is included in the calculation of the + * message digest. + * + * If the Transfer Encoding is 'X-BASE8', 'X-BASE10' or + * 'X-BASE16', the data are presented as octal, decimal or + * hexadecimal data organized into lines or words. Each word + * is created by composing octets of data in fixed groups of + * 2, 3, 4, 6 or 8 octets, either in the order ...4321 ('big- + * endian') or 1234... ('little-endian'). If there are fewer + * than the specified number of octets to fill the last word, + * then the missing octets are presented as '==' for each + * missing octet. Exactly two equal signs are used for each + * missing octet even for octal and decimal encoding. + * The format of lines is: + * + * rnd xxxxxx xxxxxx xxxxxx + * + * where r is 'H', 'O' or 'D' for hexadecimal, octal or + * decimal, n is the number of octets per word and d is '<' + * or '>' for the '...4321' and '1234...' octet orderings, + * respectively. The '==' padding for the last word should + * be on the appropriate side to correspond to the missing + * octets, e.g. + * + * H4< FFFFFFFF FFFFFFFF 07FFFFFF ====0000 + * + * or + * + * H3> FF0700 00==== + * + * For these hexadecimal, octal and decimal formats only, + * comments beginning with '#' are permitted to improve + * readability. + * + * BASE64 encoding follows MIME conventions. Octets are + * in groups of three: c1, c2, c3. The resulting 24 bits + * are broken into four six-bit quantities, starting with + * the high-order six bits (c1 >> 2) of the first octet, then + * the low-order two bits of the first octet followed by the + * high-order four bits of the second octet [(c1 & 3)<<4 | (c2>>4)], + * then the bottom four bits of the second octet followed by the + * high-order two bits of the last octet [(c2 & 15)<<2 | (c3>>6)], + * then the bottom six bits of the last octet (c3 & 63). Each + * of these four quantities is translated into an ASCII character + * using the mapping: + * + * 1 2 3 4 5 6 + * 0123456789012345678901234567890123456789012345678901234567890123 + * | | | | | | | + * ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789+/ + * + * with short groups of octets padded on the right with one '=' + * if c3 is missing, and with '==' if both c2 and c3 are missing. + * + * X-BASE32K encoding is similar to BASE64 encoding, except that + * sets of 15 octets are encoded as sets of 8 16-bit Unicode + * characters, by breaking the 120 bits into 8 15-bit quantities. + * 256 is added to each 15-bit quantity to bring it into a + * printable Unicode range. When encoding, zero padding is used + * to fill out the last 15-bit quantity. If 8 or more bits of + * padding are used, a single equals sign (hexadecimal 003D) is + * appended. Embedded whitespace and newlines are introduced + * to produce lines of no more than 80 characters each. On + * decoding, all printable ASCII characters and ASCII whitespace + * characters are ignored except for any trailing equals signs. + * The number of trailing equals signs indicated the number of + * trailing octets to be trimmed from the end of the decoded data + * (see Darakev et al., 2006). + * + * QUOTED-PRINTABLE encoding also follows MIME conventions, copying + * octets without translation if their ASCII values are 32...38, + * 42, 48...57, 59, 60, 62, 64...126 and the octet is not a ';' + * in column 1. All other characters are translated to =nn, where + * nn is the hexadecimal encoding of the octet. All lines are + * 'wrapped' with a terminating '=' (i.e. the MIME conventions + * for an implicit line terminator are never used). + * + * The 'X-Binary-Element-Byte-Order' can specify either + * 'BIG_ENDIAN' or 'LITTLE_ENDIAN' byte order of the image + * data. Only LITTLE_ENDIAN is recommended. Processors + * may treat BIG_ENDIAN as a warning of data that can + * only be processed by special software. + * + * The 'X-Binary-Number-of-Elements' specifies the number of + * elements (not the number of octets) in the decompressed, + * decoded image. + * + * The optional 'X-Binary-Size-Fastest-Dimension' specifies the + * number of elements (not the number of octets) in one row of the + * fastest changing dimension of the binary data array. This + * information must be in the MIME header for proper operation of + * some of the decompression algorithms. + * + * The optional 'X-Binary-Size-Second-Dimension' specifies the + * number of elements (not the number of octets) in one column of + * the second-fastest changing dimension of the binary data array. + * This information must be in the MIME header for proper operation + * of some of the decompression algorithms. + * + * The optional 'X-Binary-Size-Third-Dimension' specifies the + * number of sections for the third-fastest changing dimension of + * the binary data array. + * + * The optional 'X-Binary-Size-Padding' specifies the size in + * octets of an optional padding after the binary array data and + * before the closing flags for a binary section. + * + * Reference: + * + * Darakev, G., Litchev, V., Mitev, K. Z. & Bernstein, H. J. (2006). + * 'Efficient Support of Binary Data in the XML Implementation of + * the NeXus File Format', abstract W0165, ACA Summer Meeting, + * Honolulu, HI, USA, July 2006. + * @return StrColumn + */ + public StrColumn getData() { + return delegate.getColumn("data", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _array_data_external_data.id in the + * ARRAY_DATA_EXTERNAL_DATA category. + * + * If not given, then the actual array data should be specified as + * the value of _array_data.data. If + * both values are given, the value on _array_data.data takes + * precedence, and a warning of a possible conflict should be issued. + * @return StrColumn + */ + public StrColumn getExternalDataId() { + return delegate.getColumn("external_data_id", DelegatingStrColumn::new); + } + + /** + * This item is a text field for use in minimal CBF files to carry + * essential header information to be kept with image data + * in _array_data.data when the tags that normally carry the + * structured metadata for the image have not been populated. + * + * Normally this data item should not appear when the full set + * of tags has been populated and _diffrn_data_frame.details + * appears. + * @return StrColumn + */ + public StrColumn getHeaderContents() { + return delegate.getColumn("header_contents", DelegatingStrColumn::new); + } + + /** + * This item is an identifier for the convention followed in + * constructing the contents of _array_data.header_contents + * + * The permitted values are of an image creator identifier + * followed by an underscore and a version string. To avoid + * confusion about conventions, all creator identifiers + * should be registered with the IUCr and the conventions + * for all identifiers and versions should be posted on + * the MEDSBIO.org web site. + * @return StrColumn + */ + public StrColumn getHeaderConvention() { + return delegate.getColumn("header_convention", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ArrayIntensities.java b/src/main/java/org/rcsb/cif/schema/mm/ArrayIntensities.java new file mode 100644 index 000000000..c09847349 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/ArrayIntensities.java @@ -0,0 +1,251 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the ARRAY_INTENSITIES category record the + * information required to recover the intensity data from + * the set of data values stored in the ARRAY_DATA category. + * + * The detector may have a complex relationship + * between the raw intensity values and the number of + * incident photons. In most cases, the number stored + * in the final array will have a simple linear relationship + * to the actual number of incident photons, given by + * _array_intensities.gain. If raw, uncorrected values + * are presented (e.g. for calibration experiments), the + * value of _array_intensities.linearity will be 'raw' + * and _array_intensities.gain will not be used. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class ArrayIntensities extends DelegatingCategory { + public ArrayIntensities(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "array_id": + return getArrayId(); + case "binary_id": + return getBinaryId(); + case "details": + return getDetails(); + case "gain": + return getGain(); + case "gain_esd": + return getGainEsd(); + case "linearity": + return getLinearity(); + case "offset": + return getOffset(); + case "overload": + return getOverload(); + case "pixel_fast_bin_size": + return getPixelFastBinSize(); + case "pixel_slow_bin_size": + return getPixelSlowBinSize(); + case "pixel_binning_method": + return getPixelBinningMethod(); + case "scaling": + return getScaling(); + case "undefined_value": + return getUndefinedValue(); + case "underload": + return getUnderload(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This item is a pointer to _array_structure.id in the + * ARRAY_STRUCTURE category. + * @return StrColumn + */ + public StrColumn getArrayId() { + return delegate.getColumn("array_id", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _array_data.binary_id in the + * ARRAY_DATA category. + * @return IntColumn + */ + public IntColumn getBinaryId() { + return delegate.getColumn("binary_id", DelegatingIntColumn::new); + } + + /** + * A description of special aspects of the calculation of array + * intensities. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * Detector 'gain'. The factor by which linearized + * intensity count values should be divided to produce + * true photon counts. + * @return FloatColumn + */ + public FloatColumn getGain() { + return delegate.getColumn("gain", DelegatingFloatColumn::new); + } + + /** + * The standard uncertainty (estimated standard deviation, e.s.d.) + * of detector 'gain'. + * @return FloatColumn + */ + public FloatColumn getGainEsd() { + return delegate.getColumn("gain_esd", DelegatingFloatColumn::new); + } + + /** + * The intensity linearity scaling method used to convert + * from the raw intensity to the stored element value: + * + * 'linear' is linear. + * + * 'offset' means that the value defined by + * _array_intensities.offset should be added to each + * element value. + * + * 'scaling' means that the value defined by + * _array_intensities.scaling should be multiplied with each + * element value. + * + * 'scaling_offset' is the combination of the two previous cases, + * with the scale factor applied before the offset value. + * + * 'sqrt_scaled' means that the square root of raw + * intensities multiplied by _array_intensities.scaling is + * calculated and stored, perhaps rounded to the nearest + * integer. Thus, linearization involves dividing the stored + * values by _array_intensities.scaling and squaring the + * result. + * + * 'logarithmic_scaled' means that the logarithm base 10 of + * raw intensities multiplied by _array_intensities.scaling + * is calculated and stored, perhaps rounded to the nearest + * integer. Thus, linearization involves dividing the stored + * values by _array_intensities.scaling and calculating 10 + * to the power of this number. + * + * 'raw' means that the data are a set of raw values straight + * from the detector. + * @return StrColumn + */ + public StrColumn getLinearity() { + return delegate.getColumn("linearity", DelegatingStrColumn::new); + } + + /** + * Offset value to add to array element values in the manner + * described by the item _array_intensities.linearity. + * @return FloatColumn + */ + public FloatColumn getOffset() { + return delegate.getColumn("offset", DelegatingFloatColumn::new); + } + + /** + * The saturation intensity level for this data array, i.e. the + * value above which correct intensities may not be recorded. + * + * The valid pixel values are those less than + * _array_intensities.overload and greater than or equal to + * _array_intensities.underload + * @return FloatColumn + */ + public FloatColumn getOverload() { + return delegate.getColumn("overload", DelegatingFloatColumn::new); + } + + /** + * The value of _array_intensities.pixel_fast_bin_size specifies + * the number of pixels that compose one element in the direction + * of the most rapidly varying array dimension. + * + * Typical values are 1, 2, 4 or 8. When there is 1 pixel per + * array element in both directions, the value given for + * _array_intensities.pixel_binning_method normally should be + * 'none'. + * + * It is specified as a float to allow for binning algorithms that + * create array elements that are not integer multiples of the + * detector pixel size. + * @return FloatColumn + */ + public FloatColumn getPixelFastBinSize() { + return delegate.getColumn("pixel_fast_bin_size", DelegatingFloatColumn::new); + } + + /** + * The value of _array_intensities.pixel_slow_bin_size specifies + * the number of pixels that compose one element in the direction + * of the second most rapidly varying array dimension. + * + * Typical values are 1, 2, 4 or 8. When there is 1 pixel per + * array element in both directions, the value given for + * _array_intensities.pixel_binning_method normally should be + * 'none'. + * + * It is specified as a float to allow for binning algorithms that + * create array elements that are not integer multiples of the + * detector pixel size. + * @return FloatColumn + */ + public FloatColumn getPixelSlowBinSize() { + return delegate.getColumn("pixel_slow_bin_size", DelegatingFloatColumn::new); + } + + /** + * The value of _array_intensities.pixel_binning_method specifies + * the method used to derive array elements from multiple pixels. + * @return StrColumn + */ + public StrColumn getPixelBinningMethod() { + return delegate.getColumn("pixel_binning_method", DelegatingStrColumn::new); + } + + /** + * Multiplicative scaling value to be applied to array data + * in the manner described by the item + * _array_intensities.linearity. + * @return FloatColumn + */ + public FloatColumn getScaling() { + return delegate.getColumn("scaling", DelegatingFloatColumn::new); + } + + /** + * A value to be substituted for undefined values in + * the data array. + * @return FloatColumn + */ + public FloatColumn getUndefinedValue() { + return delegate.getColumn("undefined_value", DelegatingFloatColumn::new); + } + + /** + * The lowest value at which pixels for this detector are + * measured. + * + * The valid pixel values are those less than + * _array_intensities.overload and greater than or equal to + * _array_intensities.underload + * @return FloatColumn + */ + public FloatColumn getUnderload() { + return delegate.getColumn("underload", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ArrayStructure.java b/src/main/java/org/rcsb/cif/schema/mm/ArrayStructure.java new file mode 100644 index 000000000..72c47f2b4 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/ArrayStructure.java @@ -0,0 +1,102 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the ARRAY_STRUCTURE category record the organization and + * encoding of array data that may be stored in the ARRAY_DATA category. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class ArrayStructure extends DelegatingCategory { + public ArrayStructure(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "byte_order": + return getByteOrder(); + case "compression_type": + return getCompressionType(); + case "compression_type_flag": + return getCompressionTypeFlag(); + case "encoding_type": + return getEncodingType(); + case "id": + return getId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The order of bytes for integer values which require more + * than 1 byte. + * + * (IBM-PCs and compatibles, and DEC VAXs use low-byte-first + * ordered integers, whereas Hewlett Packard 700 + * series, Sun-4 and Silicon Graphics use high-byte-first + * ordered integers. DEC Alphas can produce/use either + * depending on a compiler switch.) + * @return StrColumn + */ + public StrColumn getByteOrder() { + return delegate.getColumn("byte_order", DelegatingStrColumn::new); + } + + /** + * Type of data-compression method used to compress the array + * data. + * @return StrColumn + */ + public StrColumn getCompressionType() { + return delegate.getColumn("compression_type", DelegatingStrColumn::new); + } + + /** + * Flags modifying the type of data-compression method used to + * compress the arraydata. + * @return StrColumn + */ + public StrColumn getCompressionTypeFlag() { + return delegate.getColumn("compression_type_flag", DelegatingStrColumn::new); + } + + /** + * Data encoding of a single element of array data. + * + * The type 'unsigned 1-bit integer' is used for + * packed Boolean arrays for masks. Each element + * of the array corresponds to a single bit + * packed in unsigned 8-bit data. + * + * In several cases, the IEEE format is referenced. + * See IEEE Standard 754-1985 (IEEE, 1985). + * + * Reference: IEEE (1985). IEEE Standard for Binary Floating-Point + * Arithmetic. ANSI/IEEE Std 754-1985. New York: Institute of + * Electrical and Electronics Engineers. + * @return StrColumn + */ + public StrColumn getEncodingType() { + return delegate.getColumn("encoding_type", DelegatingStrColumn::new); + } + + /** + * The value of _array_structure.id must uniquely identify + * each item of array data. + * + * This item has been made implicit and given a default value of 1 + * as a convenience in writing miniCBF files. Normally an + * explicit name with useful content should be used. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureList.java b/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureList.java new file mode 100644 index 000000000..f4b6a9d8f --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureList.java @@ -0,0 +1,116 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the ARRAY_STRUCTURE_LIST category record the size + * and organization of each array dimension. + * + * The relationship to physical axes may be given. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class ArrayStructureList extends DelegatingCategory { + public ArrayStructureList(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "array_id": + return getArrayId(); + case "array_section_id": + return getArraySectionId(); + case "axis_set_id": + return getAxisSetId(); + case "dimension": + return getDimension(); + case "direction": + return getDirection(); + case "index": + return getIndex(); + case "precedence": + return getPrecedence(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This item is a pointer to _array_structure.id in the + * ARRAY_STRUCTURE category. + * @return StrColumn + */ + public StrColumn getArrayId() { + return delegate.getColumn("array_id", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _array_structure_list_section.id in the + * ARRAY_STRUCTURE_LIST_SECTION category. + * @return StrColumn + */ + public StrColumn getArraySectionId() { + return delegate.getColumn("array_section_id", DelegatingStrColumn::new); + } + + /** + * This is a descriptor for the physical axis or set of axes + * corresponding to an array index. + * + * This data item is related to the axes of the detector + * itself given in DIFFRN_DETECTOR_AXIS, but usually differs + * in that the axes in this category are the axes of the + * coordinate system of reported data points, while the axes in + * DIFFRN_DETECTOR_AXIS are the physical axes + * of the detector describing the 'poise' of the detector as an + * overall physical object. + * + * If there is only one axis in the set, the identifier of + * that axis should be used as the identifier of the set. + * @return StrColumn + */ + public StrColumn getAxisSetId() { + return delegate.getColumn("axis_set_id", DelegatingStrColumn::new); + } + + /** + * The number of elements stored in the array structure in + * this dimension. + * @return IntColumn + */ + public IntColumn getDimension() { + return delegate.getColumn("dimension", DelegatingIntColumn::new); + } + + /** + * Identifies the direction in which this array index changes. + * @return StrColumn + */ + public StrColumn getDirection() { + return delegate.getColumn("direction", DelegatingStrColumn::new); + } + + /** + * Identifies the one-based index of the row or column in the + * array structure. + * @return IntColumn + */ + public IntColumn getIndex() { + return delegate.getColumn("index", DelegatingIntColumn::new); + } + + /** + * Identifies the rank order in which this array index changes + * with respect to other array indices. The precedence of 1 + * indicates the index which changes fastest. + * @return IntColumn + */ + public IntColumn getPrecedence() { + return delegate.getColumn("precedence", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureListAxis.java b/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureListAxis.java new file mode 100644 index 000000000..be625394b --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureListAxis.java @@ -0,0 +1,228 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the ARRAY_STRUCTURE_LIST_AXIS category describe + * the physical settings of sets of axes for the centres of pixels that + * correspond to data points described in the + * ARRAY_STRUCTURE_LIST category. + * + * In the simplest cases, the physical increments of a single axis correspond + * to the increments of a single array index. More complex organizations, + * e.g. spiral scans, may require coupled motions along multiple axes. + * + * Note that a spiral scan uses two coupled axes: one for the angular + * direction and one for the radial direction. This differs from a + * cylindrical scan for which the two axes are not coupled into one + * set. + * + * Axes may be specified either for an entire array or for just a section + * of an array. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class ArrayStructureListAxis extends DelegatingCategory { + public ArrayStructureListAxis(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "axis_id": + return getAxisId(); + case "axis_set_id": + return getAxisSetId(); + case "angle": + return getAngle(); + case "angle_increment": + return getAngleIncrement(); + case "displacement": + return getDisplacement(); + case "fract_displacement": + return getFractDisplacement(); + case "displacement_increment": + return getDisplacementIncrement(); + case "fract_displacement_increment": + return getFractDisplacementIncrement(); + case "angular_pitch": + return getAngularPitch(); + case "radial_pitch": + return getRadialPitch(); + case "reference_angle": + return getReferenceAngle(); + case "reference_displacement": + return getReferenceDisplacement(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of this data item is the identifier of one of + * the axes in the set of axes for which settings are being + * specified. + * + * Multiple axes may be specified for the same value of + * _array_structure_list_axis.axis_set_id. + * + * This item is a pointer to _axis.id in the + * AXIS category. + * @return StrColumn + */ + public StrColumn getAxisId() { + return delegate.getColumn("axis_id", DelegatingStrColumn::new); + } + + /** + * The value of this data item is the identifier of the + * set of axes for which axis settings are being specified. + * + * Multiple axes may be specified for the same value of + * _array_structure_list_axis.axis_set_id. + * + * This item is a pointer to + * _array_structure_list.axis_set_id + * in the ARRAY_STRUCTURE_LIST category. + * + * If this item is not specified, it defaults to the corresponding + * axis identifier. + * @return StrColumn + */ + public StrColumn getAxisSetId() { + return delegate.getColumn("axis_set_id", DelegatingStrColumn::new); + } + + /** + * The setting of the specified axis in degrees for the first + * data point of the array index with the corresponding value + * of _array_structure_list.axis_set_id. If the index is + * specified as 'increasing', this will be the centre of the + * pixel with index value 1. If the index is specified as + * 'decreasing', this will be the centre of the pixel with + * maximum index value. + * @return FloatColumn + */ + public FloatColumn getAngle() { + return delegate.getColumn("angle", DelegatingFloatColumn::new); + } + + /** + * The pixel-centre-to-pixel-centre increment in the angular + * setting of the specified axis in degrees. This is not + * meaningful in the case of 'constant velocity' spiral scans + * and should not be specified for this case. + * + * See _array_structure_list_axis.angular_pitch. + * @return FloatColumn + */ + public FloatColumn getAngleIncrement() { + return delegate.getColumn("angle_increment", DelegatingFloatColumn::new); + } + + /** + * The setting of the specified axis in millimetres for the first + * data point of the array index with the corresponding value + * of _array_structure_list.axis_set_id. If the index is + * specified as 'increasing', this will be the centre of the + * pixel with index value 1. If the index is specified as + * 'decreasing', this will be the centre of the pixel with + * maximum index value. + * @return FloatColumn + */ + public FloatColumn getDisplacement() { + return delegate.getColumn("displacement", DelegatingFloatColumn::new); + } + + /** + * The setting of the specified axis as a decimal fraction of + * the axis unit vector for the first data point of the array + * index with the corresponding value of + * _array_structure_list.axis_set_id. + * + * If the index is specified as 'increasing', this will be the + * centre of the pixel with index value 1. If the index is + * specified as 'decreasing', this will be the centre of the + * pixel with maximum index value. + * @return FloatColumn + */ + public FloatColumn getFractDisplacement() { + return delegate.getColumn("fract_displacement", DelegatingFloatColumn::new); + } + + /** + * The pixel-centre-to-pixel-centre increment for the displacement + * setting of the specified axis in millimetres. + * @return FloatColumn + */ + public FloatColumn getDisplacementIncrement() { + return delegate.getColumn("displacement_increment", DelegatingFloatColumn::new); + } + + /** + * The pixel-centre-to-pixel-centre increment for the displacement + * setting of the specified axis as a decimal fraction of the + * axis unit vector. + * @return FloatColumn + */ + public FloatColumn getFractDisplacementIncrement() { + return delegate.getColumn("fract_displacement_increment", DelegatingFloatColumn::new); + } + + /** + * The pixel-centre-to-pixel-centre distance for a one-step + * change in the setting of the specified axis in millimetres. + * + * This is meaningful only for 'constant velocity' spiral scans + * or for uncoupled angular scans at a constant radius + * (cylindrical scans) and should not be specified for cases + * in which the angle between pixels (rather than the distance + * between pixels) is uniform. + * + * See _array_structure_list_axis.angle_increment. + * @return FloatColumn + */ + public FloatColumn getAngularPitch() { + return delegate.getColumn("angular_pitch", DelegatingFloatColumn::new); + } + + /** + * The radial distance from one 'cylinder' of pixels to the + * next in millimetres. If the scan is a 'constant velocity' + * scan with differing angular displacements between pixels, + * the value of this item may differ significantly from the + * value of _array_structure_list_axis.displacement_increment. + * @return FloatColumn + */ + public FloatColumn getRadialPitch() { + return delegate.getColumn("radial_pitch", DelegatingFloatColumn::new); + } + + /** + * The value of _array_structure_list_axis.reference_angle + * specifies the setting of the angle of this axis used for + * determining a reference beam centre and a reference detector + * distance. It is normally expected to be identical to the + * value of _array_structure_list_axis.angle. + * @return FloatColumn + */ + public FloatColumn getReferenceAngle() { + return delegate.getColumn("reference_angle", DelegatingFloatColumn::new); + } + + /** + * The value of _array_structure_list_axis.reference_displacement + * specifies the setting of the displacement of this axis used + * for determining a reference beam centre and a reference detector + * distance. It is normally expected to be identical to the value + * of _array_structure_list_axis.displacement. + * @return FloatColumn + */ + public FloatColumn getReferenceDisplacement() { + return delegate.getColumn("reference_displacement", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureListSection.java b/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureListSection.java new file mode 100644 index 000000000..d29495b33 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/ArrayStructureListSection.java @@ -0,0 +1,160 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the ARRAY_STRUCTURE_LIST_SECTION category identify + * the dimension-by-dimension start, end and stride of each section of an + * array that is to be referenced. + * + * For any array with identifier ARRAYID, array section ids of the form + * ARRAYID(start1:end1:stride1,start2:end2:stride2, ...) are defined + * by default. + * + * For the given index, the elements in the section are of indices: + * _array_structure_list_section.start, + * _array_structure_list_section.start + _array_structure_list_section.stride, + * _array_structure_list_section.start + 2*_array_structure_list_section.stride, + * ... + * + * stopping either when the indices leave the limits of the indices + * of that dimension or + * [min(_array_structure_list_section.start, _array_structure_list_section.end), + * max(_array_structure_list_section.start, _array_structure_list_section.end)]. + * + * + * The ordering of these elements is determined by the overall ordering of + * _array_structure_list_section.array_id and not by the ordering implied + * by the stride. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class ArrayStructureListSection extends DelegatingCategory { + public ArrayStructureListSection(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "array_id": + return getArrayId(); + case "end": + return getEnd(); + case "id": + return getId(); + case "index": + return getIndex(); + case "start": + return getStart(); + case "stride": + return getStride(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This item is a pointer to _array_structure.id in the + * ARRAY_STRUCTURE category. + * @return StrColumn + */ + public StrColumn getArrayId() { + return delegate.getColumn("array_id", DelegatingStrColumn::new); + } + + /** + * Identifies the ending ordinal, numbered from 1, for an array + * element of index _array_structure_list_section.index in the + * section. + * + * The value defaults to the dimension for index + * _array_structure_list_section.index + * of the array. + * + * Note that this agrees with the Fortran convention, rather than + * the Python convention in that, if compatible with the stride, + * the end element is included in the section as in Fortran, rather + * than being one beyond the section as in Python. + * @return IntColumn + */ + public IntColumn getEnd() { + return delegate.getColumn("end", DelegatingIntColumn::new); + } + + /** + * Uniquely identifies the array section chosen. + * + * To avoid confusion array section IDs that contain parentheses + * should conform to the default syntax + * + * ARRAYID(start1:end1:stride1,start2:end2:stride2, ...) + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _array_structure_list.index + * in the ARRAY_STRUCTURE_LIST category. + * + * Identifies the one-based index of the row, column, sheet ... + * the ARRAY_STRUCTURE_LIST category. + * + * For a multidimensional array, a value must be explicitly given. + * + * If an index is omitted from a section then all elements for that + * index are assumed to be included in the section. + * @return IntColumn + */ + public IntColumn getIndex() { + return delegate.getColumn("index", DelegatingIntColumn::new); + } + + /** + * Identifies the starting ordinal, numbered from 1, + * for an array element of index _array_structure_list_section.index + * in the section. + * + * The value defaults to 1. For the given index, the elements in + * the section are of indices: + * _array_structure_list_section.start, + * _array_structure_list_section.start + * + _array_structure_list_section.stride, + * _array_structure_list_section.start + * + 2*_array_structure_list_section.stride, + * ... + * + * stopping either when the indices leave the limits of the indices + * of that dimension or + * [min(_array_structure_list_section.start, + * _array_structure_list_section.end ), + * max(_array_structure_list_section.start, + * _array_structure_list_section.end )]. + * + * + * The ordering of these elements is determined by the overall + * ordering of _array_structure_list_section.array_id and not by + * the ordering implied by the stride. + * @return IntColumn + */ + public IntColumn getStart() { + return delegate.getColumn("start", DelegatingIntColumn::new); + } + + /** + * Identifies the incremental steps to be taken when moving + * element to element in the section in that particular + * dimension. The value of _array_structure_list_section.stride + * may be positive or negative. If the stride is zero, the section + * is just defined by _array_structure_list_section.start. + * @return IntColumn + */ + public IntColumn getStride() { + return delegate.getColumn("stride", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/AtomSite.java b/src/main/java/org/rcsb/cif/schema/mm/AtomSite.java index 24bd39d05..3ab6c1ff2 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/AtomSite.java +++ b/src/main/java/org/rcsb/cif/schema/mm/AtomSite.java @@ -14,6 +14,11 @@ * The data items for describing anisotropic atomic * displacement factors are only used if the corresponding items * are not given in the ATOM_SITE_ANISOTROP category. + * + * wwPDB recommends wwPDB-assigned residue number, residue ID, + * and chain ID, _atom_site.auth_seq_id _atom_site.auth_comp_id, and + * _atom_site.auth_asym_id, respectively, to be used for publication + * materials. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class AtomSite extends DelegatingCategory { @@ -170,6 +175,8 @@ protected Column createDelegate(String columnName, Column column) { return getUIsoOrEquivEsd(); case "Wyckoff_symbol": return getWyckoffSymbol(); + case "pdbx_atom_ambiguity": + return getPdbxAtomAmbiguity(); case "adp_type": return getAdpType(); case "refinement_flags": @@ -218,6 +225,16 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxLabelSeqNum(); case "pdbx_not_in_asym": return getPdbxNotInAsym(); + case "pdbx_label_index": + return getPdbxLabelIndex(); + case "pdbx_sifts_xref_db_name": + return getPdbxSiftsXrefDbName(); + case "pdbx_sifts_xref_db_acc": + return getPdbxSiftsXrefDbAcc(); + case "pdbx_sifts_xref_db_num": + return getPdbxSiftsXrefDbNum(); + case "pdbx_sifts_xref_db_res": + return getPdbxSiftsXrefDbRes(); case "ihm_model_id": return getIhmModelId(); default: @@ -1011,6 +1028,10 @@ public StrColumn getGroupPDB() { * introduced that was independent of the different modes of * identifying the atoms. For compatibility with older CIFs, * _atom_site_label is aliased to _atom_site.id. + * + * In general, this aggregate identifier does not uniquely + * identify an atom site as for non-polymers _atom_site.label_seq_id + * is '.'. * @return IntColumn */ public IntColumn getId() { @@ -1197,6 +1218,15 @@ public StrColumn getWyckoffSymbol() { return delegate.getColumn("Wyckoff_symbol", DelegatingStrColumn::new); } + /** + * The optional value of _atom_site.pdbx_atom_ambiguity atoms that differ only by stereochemistry but + * are not stereospecifically assigned by the experiment. + * @return StrColumn + */ + public StrColumn getPdbxAtomAmbiguity() { + return delegate.getColumn("pdbx_atom_ambiguity", DelegatingStrColumn::new); + } + /** * A standard code used to describe the type of atomic displacement * parameters used for the site. @@ -1409,6 +1439,48 @@ public StrColumn getPdbxNotInAsym() { return delegate.getColumn("pdbx_not_in_asym", DelegatingStrColumn::new); } + /** + * This data item is an ordinal which identifies distinct chemical components in the atom_site category, both + * polymeric and non-polymeric. + * @return IntColumn + */ + public IntColumn getPdbxLabelIndex() { + return delegate.getColumn("pdbx_label_index", DelegatingIntColumn::new); + } + + /** + * The name of additional external databases with residue level mapping. + * @return StrColumn + */ + public StrColumn getPdbxSiftsXrefDbName() { + return delegate.getColumn("pdbx_sifts_xref_db_name", DelegatingStrColumn::new); + } + + /** + * The accession code related to the additional external database entry. + * @return StrColumn + */ + public StrColumn getPdbxSiftsXrefDbAcc() { + return delegate.getColumn("pdbx_sifts_xref_db_acc", DelegatingStrColumn::new); + } + + /** + * The sequence position of the external database entry that corresponds + * to the residue mapping defined by the SIFTS process. + * @return StrColumn + */ + public StrColumn getPdbxSiftsXrefDbNum() { + return delegate.getColumn("pdbx_sifts_xref_db_num", DelegatingStrColumn::new); + } + + /** + * Describes the residue type of the given UniProt match + * @return StrColumn + */ + public StrColumn getPdbxSiftsXrefDbRes() { + return delegate.getColumn("pdbx_sifts_xref_db_res", DelegatingStrColumn::new); + } + /** * The model id corresponding to the atom site. * This data item is a pointer to _ihm_model_list.model_id diff --git a/src/main/java/org/rcsb/cif/schema/mm/Cell.java b/src/main/java/org/rcsb/cif/schema/mm/Cell.java index 7374e4895..392ef9aa0 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Cell.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Cell.java @@ -80,6 +80,8 @@ protected Column createDelegate(String columnName, Column column) { return getReciprocalLengthCEsd(); case "pdbx_unique_axis": return getPdbxUniqueAxis(); + case "pdbx_esd_method": + return getPdbxEsdMethod(); default: return new DelegatingColumn(column); } @@ -348,7 +350,7 @@ public FloatColumn getReciprocalAngleGammaEsd() { } /** - * The reciprocal cell length (recip-a) in inverse Angstroms. + * The reciprocal cell length (recip-a) in inverse angstroms. * (recip-a), (recip-b) and (recip-c) are related to the real cell * by the following equation: * @@ -369,7 +371,7 @@ public FloatColumn getReciprocalLengthA() { } /** - * The reciprocal cell length (recip-b) in inverse Angstroms. + * The reciprocal cell length (recip-b) in inverse angstroms. * (recip-a), (recip-b) and (recip-c) are related to the real cell * by the following equation: * @@ -390,7 +392,7 @@ public FloatColumn getReciprocalLengthB() { } /** - * The reciprocal cell length (recip-c) in inverse Angstroms. + * The reciprocal cell length (recip-c) in inverse angstroms. * (recip-a), (recip-b) and (recip-c) are related to the real cell * by the following equation: * @@ -443,4 +445,12 @@ public StrColumn getPdbxUniqueAxis() { return delegate.getColumn("pdbx_unique_axis", DelegatingStrColumn::new); } + /** + * How the estimated standard deviation was determined. + * @return StrColumn + */ + public StrColumn getPdbxEsdMethod() { + return delegate.getColumn("pdbx_esd_method", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ChemComp.java b/src/main/java/org/rcsb/cif/schema/mm/ChemComp.java index 8dd315764..2a6ebe7f7 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/ChemComp.java +++ b/src/main/java/org/rcsb/cif/schema/mm/ChemComp.java @@ -113,6 +113,10 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxSmiles(); case "pdbx_nscnum": return getPdbxNscnum(); + case "pdbx_pcm": + return getPdbxPcm(); + case "ma_provenance": + return getMaProvenance(); default: return new DelegatingColumn(column); } @@ -548,4 +552,20 @@ public StrColumn getPdbxNscnum() { return delegate.getColumn("pdbx_nscnum", DelegatingStrColumn::new); } + /** + * A flag to indicate if the CCD can be used to represent a protein modification. + * @return StrColumn + */ + public StrColumn getPdbxPcm() { + return delegate.getColumn("pdbx_pcm", DelegatingStrColumn::new); + } + + /** + * The provenance information for the chemical component definition. + * @return StrColumn + */ + public StrColumn getMaProvenance() { + return delegate.getColumn("ma_provenance", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ChemCompAtom.java b/src/main/java/org/rcsb/cif/schema/mm/ChemCompAtom.java index 19b6f348c..5ec7fe0e1 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/ChemCompAtom.java +++ b/src/main/java/org/rcsb/cif/schema/mm/ChemCompAtom.java @@ -84,6 +84,12 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxComponentEntityId(); case "pdbx_stnd_atom_id": return getPdbxStndAtomId(); + case "pdbx_backbone_atom_flag": + return getPdbxBackboneAtomFlag(); + case "pdbx_n_terminal_atom_flag": + return getPdbxNTerminalAtomFlag(); + case "pdbx_c_terminal_atom_flag": + return getPdbxCTerminalAtomFlag(); default: return new DelegatingColumn(column); } @@ -387,4 +393,28 @@ public StrColumn getPdbxStndAtomId() { return delegate.getColumn("pdbx_stnd_atom_id", DelegatingStrColumn::new); } + /** + * A flag indicating the backbone atoms in polypeptide units. + * @return StrColumn + */ + public StrColumn getPdbxBackboneAtomFlag() { + return delegate.getColumn("pdbx_backbone_atom_flag", DelegatingStrColumn::new); + } + + /** + * A flag indicating the N-terminal group atoms in polypeptide units. + * @return StrColumn + */ + public StrColumn getPdbxNTerminalAtomFlag() { + return delegate.getColumn("pdbx_n_terminal_atom_flag", DelegatingStrColumn::new); + } + + /** + * A flag indicating the C-terminal group atoms in polypeptide units. + * @return StrColumn + */ + public StrColumn getPdbxCTerminalAtomFlag() { + return delegate.getColumn("pdbx_c_terminal_atom_flag", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/Citation.java b/src/main/java/org/rcsb/cif/schema/mm/Citation.java index 43007c1a7..29a32dbb7 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Citation.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Citation.java @@ -71,6 +71,8 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxDatabaseIdDOI(); case "pdbx_database_id_PubMed": return getPdbxDatabaseIdPubMed(); + case "pdbx_database_id_patent": + return getPdbxDatabaseIdPatent(); case "unpublished_flag": return getUnpublishedFlag(); default: @@ -325,6 +327,15 @@ public IntColumn getPdbxDatabaseIdPubMed() { return delegate.getColumn("pdbx_database_id_PubMed", DelegatingIntColumn::new); } + /** + * If citation is a patent, the accession issued by a + * patent office. + * @return StrColumn + */ + public StrColumn getPdbxDatabaseIdPatent() { + return delegate.getColumn("pdbx_database_id_patent", DelegatingStrColumn::new); + } + /** * Flag to indicate that this citation will not be published. * @return StrColumn diff --git a/src/main/java/org/rcsb/cif/schema/mm/Database2.java b/src/main/java/org/rcsb/cif/schema/mm/Database2.java index 8e09e078c..431e96690 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Database2.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Database2.java @@ -32,6 +32,10 @@ protected Column createDelegate(String columnName, Column column) { return getDatabaseId(); case "database_code": return getDatabaseCode(); + case "pdbx_database_accession": + return getPdbxDatabaseAccession(); + case "pdbx_DOI": + return getPdbxDOI(); default: return new DelegatingColumn(column); } @@ -54,4 +58,22 @@ public StrColumn getDatabaseCode() { return delegate.getColumn("database_code", DelegatingStrColumn::new); } + /** + * Extended accession code issued for for _database_2.database_code assigned by the database identified in + * _database_2.database_id. + * @return StrColumn + */ + public StrColumn getPdbxDatabaseAccession() { + return delegate.getColumn("pdbx_database_accession", DelegatingStrColumn::new); + } + + /** + * Document Object Identifier (DOI) for this entry registered + * with http://crossref.org. + * @return StrColumn + */ + public StrColumn getPdbxDOI() { + return delegate.getColumn("pdbx_DOI", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnDataFrame.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnDataFrame.java new file mode 100644 index 000000000..fd58bae80 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnDataFrame.java @@ -0,0 +1,191 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the DIFFRN_DATA_FRAME category record + * the details about each frame of data. + * + * The items in this category were previously in a + * DIFFRN_FRAME_DATA category, which is now deprecated. + * The items from the old category are provided + * as aliases but should not be used for new work. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class DiffrnDataFrame extends DelegatingCategory { + public DiffrnDataFrame(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "array_id": + return getArrayId(); + case "array_section_id": + return getArraySectionId(); + case "binary_id": + return getBinaryId(); + case "center_fast": + return getCenterFast(); + case "center_slow": + return getCenterSlow(); + case "center_derived": + return getCenterDerived(); + case "center_units": + return getCenterUnits(); + case "detector_element_id": + return getDetectorElementId(); + case "id": + return getId(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This item is a pointer to _array_structure.id in the + * ARRAY_STRUCTURE category. + * @return StrColumn + */ + public StrColumn getArrayId() { + return delegate.getColumn("array_id", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _array_structure_list_section.id + * in the ARRAY_STRUCTURE_LIST_SECTION category. + * @return StrColumn + */ + public StrColumn getArraySectionId() { + return delegate.getColumn("array_section_id", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _array_data.binary_id in the + * ARRAY_DATA category. + * @return IntColumn + */ + public IntColumn getBinaryId() { + return delegate.getColumn("binary_id", DelegatingIntColumn::new); + } + + /** + * The value of _diffrn_data_frame.center_fast is + * the fast index axis beam centre position relative to the detector + * element face in the units specified in the data item + * _diffrn_data_frame.center_units along the fast + * axis of the detector from the centre of the first pixel to + * the point at which the Z axis (which should be collinear with the + * beam) intersects the face of the detector, if in fact it does. + * At the time of the measurement the current settings of + * the detector positioner for the given frame are used. + * + * It is important to note that for measurements in mm, + * the sense of the axis is used, rather than the sign of the + * pixel-to-pixel increments. + * @return FloatColumn + */ + public FloatColumn getCenterFast() { + return delegate.getColumn("center_fast", DelegatingFloatColumn::new); + } + + /** + * The value of _diffrn_data_frame.center_slow is + * the slow index axis beam centre position relative to the detector + * element face in the units specified in the data item + * _diffrn_data_frame.center_units along the slow + * axis of the detector from the centre of the first pixel to + * the point at which the Z axis (which should be collinear with the + * beam) intersects the face of the detector, if in fact it does. + * At the time of the measurement the current settings of + * the detector positioner for the given frame are used. + * + * It is important to note that the sense of the axis is used, + * rather than the sign of the pixel-to-pixel increments. + * @return FloatColumn + */ + public FloatColumn getCenterSlow() { + return delegate.getColumn("center_slow", DelegatingFloatColumn::new); + } + + /** + * The value of _diffrn_data_frame.center_derived + * is assumed to be 'yes', i.e. that values of + * _diffrn_data_frame.center_fast and + * _diffrn_data_frame.center_slow + * are derived from the axis settings rather than measured. + * @return StrColumn + */ + public StrColumn getCenterDerived() { + return delegate.getColumn("center_derived", DelegatingStrColumn::new); + } + + /** + * The value of _diffrn_data_frame.center_units + * specifies the units in which the values of + * _diffrn_data_frame.center_fast and + * _diffrn_data_frame.center_slow + * are presented. The default is 'mm' for millimetres. The + * alternatives are 'pixels' and 'bins'. In all cases the + * centre distances are measured from the centre of the + * first pixel, i.e. in a 2x2 binning, the measuring origin + * is offset from the centres of the bins by one half pixel + * towards the first pixel. + * + * If 'bins' is specified, the data in + * _array_intensities.pixel_fast_bin_size, + * _array_intensities.pixel_slow_bin_size, and + * _array_intensities.pixel_binning_method + * are used to define the binning scheme. + * @return StrColumn + */ + public StrColumn getCenterUnits() { + return delegate.getColumn("center_units", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _diffrn_detector_element.id + * in the DIFFRN_DETECTOR_ELEMENT category. + * @return StrColumn + */ + public StrColumn getDetectorElementId() { + return delegate.getColumn("detector_element_id", DelegatingStrColumn::new); + } + + /** + * The value of _diffrn_data_frame.id must uniquely identify + * each complete frame of data. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * The value of _diffrn_data_frame.details should give a + * description of special aspects of each frame of data. + * + * This is an appropriate location in which to record + * information from vendor headers as presented in those + * headers, but it should never be used as a substitute + * for providing the fully parsed information within + * the appropriate imgCIF/CBF categories. + * + * Normally, when a conversion from a miniCBF has been done + * the data from _array_data.header_convention + * should be transferred to this data item and + * _array_data.header_convention + * should be removed. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetector.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetector.java index 2d4d8b2c1..bfad8b700 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetector.java +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetector.java @@ -39,6 +39,10 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxCollectionDate(); case "pdbx_frequency": return getPdbxFrequency(); + case "id": + return getId(); + case "number_of_axes": + return getNumberOfAxes(); default: return new DelegatingColumn(column); } @@ -128,4 +132,39 @@ public FloatColumn getPdbxFrequency() { return delegate.getColumn("pdbx_frequency", DelegatingFloatColumn::new); } + /** + * The value of _diffrn_detector.id must uniquely identify + * each detector used to collect each diffraction data set. + * + * If the value of _diffrn_detector.id is not given, it is + * implicitly equal to the value of + * _diffrn_detector.diffrn_id. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * The value of _diffrn_detector.number_of_axes gives the + * number of axes of the positioner for the detector identified + * by _diffrn_detector.id. + * + * The word 'positioner' is a general term used in + * instrumentation design for devices that are used to change + * the positions of portions of apparatus by linear + * translation, rotation or combinations of such motions. + * + * Axes which are used to provide a coordinate system for the + * face of an area detector should not be counted for this + * data item. + * + * The description of each axis should be provided by entries + * in DIFFRN_DETECTOR_AXIS. + * @return IntColumn + */ + public IntColumn getNumberOfAxes() { + return delegate.getColumn("number_of_axes", DelegatingIntColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetectorAxis.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetectorAxis.java new file mode 100644 index 000000000..c54494abd --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetectorAxis.java @@ -0,0 +1,52 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the DIFFRN_DETECTOR_AXIS category associate + * axes with detectors. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class DiffrnDetectorAxis extends DelegatingCategory { + public DiffrnDetectorAxis(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "axis_id": + return getAxisId(); + case "detector_id": + return getDetectorId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This data item is a pointer to _axis.id in + * the AXIS category. + * @return StrColumn + */ + public StrColumn getAxisId() { + return delegate.getColumn("axis_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _diffrn_detector.id in + * the DIFFRN_DETECTOR category. + * + * This item was previously named _diffrn_detector_axis.id + * which is now a deprecated name. The old name is + * provided as an alias but should not be used for new work. + * @return StrColumn + */ + public StrColumn getDetectorId() { + return delegate.getColumn("detector_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetectorElement.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetectorElement.java new file mode 100644 index 000000000..aa1430bd7 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnDetectorElement.java @@ -0,0 +1,128 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the DIFFRN_DETECTOR_ELEMENT category record + * the details about spatial layout and other characteristics + * of each element of a detector which may have multiple elements. + * + * In most cases, giving more detailed information + * in ARRAY_STRUCTURE_LIST and ARRAY_STRUCTURE_LIST_AXIS + * is preferable to simply providing the centre of the + * detector element. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class DiffrnDetectorElement extends DelegatingCategory { + public DiffrnDetectorElement(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "detector_id": + return getDetectorId(); + case "reference_center_fast": + return getReferenceCenterFast(); + case "reference_center_slow": + return getReferenceCenterSlow(); + case "reference_center_units": + return getReferenceCenterUnits(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of _diffrn_detector_element.id must uniquely + * identify each element of a detector. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _diffrn_detector.id + * in the DIFFRN_DETECTOR category. + * @return StrColumn + */ + public StrColumn getDetectorId() { + return delegate.getColumn("detector_id", DelegatingStrColumn::new); + } + + /** + * The value of _diffrn_detector_element.reference_center_fast is + * the fast index axis beam centre position relative to the detector + * element face in the units specified in the data item + * _diffrn_detector_element.reference_center_units along the fast + * axis of the detector from the centre of the first pixel to + * the point at which the Z-axis (which should be collinear with the + * beam) intersects the face of the detector, if in fact it does. + * At the time of the measurement all settings of the detector + * positioner should be at their reference settings. If more than + * one reference setting has been used the value given should be + * representative of the beam centre as determined from the ensemble + * of settings. + * + * It is important to note that for measurements in mm, + * the sense of the axis is used, rather than the sign of the + * pixel-to-pixel increments. + * @return FloatColumn + */ + public FloatColumn getReferenceCenterFast() { + return delegate.getColumn("reference_center_fast", DelegatingFloatColumn::new); + } + + /** + * The value of _diffrn_detector_element.reference_center_slow is + * the slow index axis beam centre position relative to the detector + * element face in the units specified in the data item + * _diffrn_detector_element.reference_center_units along the slow + * axis of the detector from the centre of the first pixel to + * the point at which the Z-axis (which should be collinear with the + * beam) intersects the face of the detector, if in fact it does. + * At the time of the measurement all settings of the detector + * positioner should be at their reference settings. If more than + * one reference setting has been used the value given should be + * representative of the beam centre as determined from the ensemble + * of settings. + * + * It is important to note that the sense of the axis is used, + * rather than the sign of the pixel-to-pixel increments. + * @return FloatColumn + */ + public FloatColumn getReferenceCenterSlow() { + return delegate.getColumn("reference_center_slow", DelegatingFloatColumn::new); + } + + /** + * The value of _diffrn_detector_element.reference_center_units + * specifies the units in which the values of + * _diffrn_detector_element.reference_center_fast and + * _diffrn_detector_element.reference_center_slow + * are presented. The default is 'mm' for millimetres. The + * alternatives are 'pixels' and 'bins'. In all cases the + * centre distances are measured from the centre of the + * first pixel, i.e. in a 2x2 binning, the measuring origin + * is offset from the centres of the bins by one half pixel + * towards the first pixel. + * + * If 'bins' is specified, the data in + * _array_intensities.pixel_fast_bin_size, + * _array_intensities.pixel_slow_bin_size, and + * _array_intensities.pixel_binning_method + * are used to define the binning scheme. + * @return StrColumn + */ + public StrColumn getReferenceCenterUnits() { + return delegate.getColumn("reference_center_units", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnRefln.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnRefln.java index 697835419..56b734566 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/DiffrnRefln.java +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnRefln.java @@ -90,10 +90,36 @@ protected Column createDelegate(String columnName, Column column) { return getWavelength(); case "wavelength_id": return getWavelengthId(); + case "pdbx_image_id": + return getPdbxImageId(); + case "pdbx_scan_angle": + return getPdbxScanAngle(); case "class_code": return getClassCode(); case "intensity_u": return getIntensityU(); + case "pdbx_detector_x": + return getPdbxDetectorX(); + case "pdbx_detector_y": + return getPdbxDetectorY(); + case "pdbx_rotation_angle": + return getPdbxRotationAngle(); + case "pdbx_scale_value": + return getPdbxScaleValue(); + case "frame_id": + return getFrameId(); + case "pdbx_batch_id": + return getPdbxBatchId(); + case "pdbx_detector_obs_fast": + return getPdbxDetectorObsFast(); + case "pdbx_detector_obs_slow": + return getPdbxDetectorObsSlow(); + case "pdbx_detector_calc_fast": + return getPdbxDetectorCalcFast(); + case "pdbx_detector_calc_slow": + return getPdbxDetectorCalcSlow(); + case "pdbx_panel_mapping_id": + return getPdbxPanelMappingId(); default: return new DelegatingColumn(column); } @@ -425,6 +451,26 @@ public StrColumn getWavelengthId() { return delegate.getColumn("wavelength_id", DelegatingStrColumn::new); } + /** + * The identifier of the diffraction image this reflection + * is associated with. This is often the image where the + * calculated reflection centroid is predicted to occur. + * @return IntColumn + */ + public IntColumn getPdbxImageId() { + return delegate.getColumn("pdbx_image_id", DelegatingIntColumn::new); + } + + /** + * The value of the angle around the scan axis for this + * reflection. This is often the scan angle at which the + * calculated reflection centroid is predicted to occur. + * @return FloatColumn + */ + public FloatColumn getPdbxScanAngle() { + return delegate.getColumn("pdbx_scan_angle", DelegatingFloatColumn::new); + } + /** * The code identifying the class to which this reflection has * been assigned. This code must match a value of @@ -450,4 +496,153 @@ public FloatColumn getIntensityU() { return delegate.getColumn("intensity_u", DelegatingFloatColumn::new); } + /** + * Detector coordinate (in pixels) along the X-direction + * for this reflection. This is often the position where + * the calculated reflection centroid is predicted to occur. + * + * The detector X-direction is most often along the fast + * changing array index of the 2D diffraction array, while + * the Y-coordinate is along the slow changing array + * index. + * @return FloatColumn + */ + public FloatColumn getPdbxDetectorX() { + return delegate.getColumn("pdbx_detector_x", DelegatingFloatColumn::new); + } + + /** + * Detector coordinate (in pixels) along the Y-direction + * for this reflection. This is often the position where + * the calculated reflection centroid is predicted to occur. + * + * The detector X-direction is most often along the fast + * changing array index of the 2D diffraction array, while + * the Y-coordinate is along the slow changing array + * index. + * @return FloatColumn + */ + public FloatColumn getPdbxDetectorY() { + return delegate.getColumn("pdbx_detector_y", DelegatingFloatColumn::new); + } + + /** + * The value of the angle around the scan axis for this + * reflection. This is often the scan angle at which the + * calculated reflection centroid is predicted to occur. + * @return FloatColumn + */ + public FloatColumn getPdbxRotationAngle() { + return delegate.getColumn("pdbx_rotation_angle", DelegatingFloatColumn::new); + } + + /** + * The scale factor applied to an individual reflection + * intensity at the last scaling step before merging + * all measurements belonging to symmetry-unique + * reflections into a merged intensity. + * @return FloatColumn + */ + public FloatColumn getPdbxScaleValue() { + return delegate.getColumn("pdbx_scale_value", DelegatingFloatColumn::new); + } + + /** + * Pointer to _diffrn_scan_frame.frame_id in the DIFFRN_SCAN_FRAME + * category. + * @return StrColumn + */ + public StrColumn getFrameId() { + return delegate.getColumn("frame_id", DelegatingStrColumn::new); + } + + /** + * Pointer to _pdbx_diffrn_batch.id in the PDBX_DIFFRN_BATCH category. + * @return StrColumn + */ + public StrColumn getPdbxBatchId() { + return delegate.getColumn("pdbx_batch_id", DelegatingStrColumn::new); + } + + /** + * Detector coordinate (in pixels) along the direction of + * the fast changing array index (of the 2D diffraction + * data) as observed for this reflection. This is often + * the position where the reflection centroid is observed. + * + * The fast changing array index of the 2D diffraction + * array is often also defined as the detector + * X-coordinate, while the slow changing array index is + * defined as the Y-coordinate. This can vary depending on + * the convention of the detector and the facility, + * especially for multi-panel detectors. + * @return FloatColumn + */ + public FloatColumn getPdbxDetectorObsFast() { + return delegate.getColumn("pdbx_detector_obs_fast", DelegatingFloatColumn::new); + } + + /** + * Detector coordinate (in pixels) along the direction of + * the slow changing array index (of the 2D diffraction + * data) as observed for this reflection. This is often + * the position where the reflection centroid is observed. + * + * The slow changing array index of the 2D diffraction + * array is often also defined as the detector + * Y-coordinate, while the fast changing array index is + * defined as the X-coordinate. This can vary depending on + * the convention of the detector and the facility, + * especially for multi-panel detectors. + * @return FloatColumn + */ + public FloatColumn getPdbxDetectorObsSlow() { + return delegate.getColumn("pdbx_detector_obs_slow", DelegatingFloatColumn::new); + } + + /** + * Detector coordinate (in pixels) along the direction of + * the fast changing array index (of the 2D diffraction + * data) for this reflection. This is often the position + * where the calculated reflection is predicted to occur. + * + * The fast changing array index of the 2D diffraction + * array is often also defined as the detector + * X-coordinate, while the slow changing array index is + * defined as the Y-coordinate. This can vary depending on + * the convention of the detector and the facility, + * especially for multi-panel detectors. + * @return FloatColumn + */ + public FloatColumn getPdbxDetectorCalcFast() { + return delegate.getColumn("pdbx_detector_calc_fast", DelegatingFloatColumn::new); + } + + /** + * Detector coordinate (in pixels) along the direction of + * the slow changing array index (of the 2D diffraction + * data) for this reflection. This is often the position + * where the calculated reflection is predicted to occur. + * + * The slow changing array index of the 2D diffraction + * array is often also defined as the detector + * Y-coordinate, while the fast changing array index is + * defined as the X-coordinate. This can vary depending on + * the convention of the detector and the facility, + * especially for multi-panel detectors. + * @return FloatColumn + */ + public FloatColumn getPdbxDetectorCalcSlow() { + return delegate.getColumn("pdbx_detector_calc_slow", DelegatingFloatColumn::new); + } + + /** + * Pointer to _pdbx_diffrn_detector_panel_mapping.id in the + * PDBX_DIFFRN_DETECTOR_PANEL_MAPPING category + * @return StrColumn + */ + public StrColumn getPdbxPanelMappingId() { + return delegate.getColumn("pdbx_panel_mapping_id", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnScan.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScan.java new file mode 100644 index 000000000..11ca64a25 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScan.java @@ -0,0 +1,164 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the DIFFRN_SCAN category describe the parameters of one + * or more scans, relating axis positions to frames. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class DiffrnScan extends DelegatingCategory { + public DiffrnScan(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "date_end": + return getDateEnd(); + case "date_end_estimated": + return getDateEndEstimated(); + case "date_start": + return getDateStart(); + case "integration_time": + return getIntegrationTime(); + case "frame_id_start": + return getFrameIdStart(); + case "frame_id_end": + return getFrameIdEnd(); + case "frames": + return getFrames(); + case "time_period": + return getTimePeriod(); + case "time_rstrt_incr": + return getTimeRstrtIncr(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of _diffrn_scan.id uniquely identifies each + * scan. The identifier is used to tie together all the + * information about the scan. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * The date and time of the end of the scan. Note that this + * may be an estimate generated during the scan, before the + * precise time of the end of the scan is known, in which + * case _diffrn_scan.date_end_estimated should be used instead. + * @return StrColumn + */ + public StrColumn getDateEnd() { + return delegate.getColumn("date_end", DelegatingStrColumn::new); + } + + /** + * The estimated date and time of the end of the scan. Note + * that this may be generated at the start or during the scan, + * before the precise time of the end of the scan is known. + * @return StrColumn + */ + public StrColumn getDateEndEstimated() { + return delegate.getColumn("date_end_estimated", DelegatingStrColumn::new); + } + + /** + * The date and time of the start of the scan. + * @return StrColumn + */ + public StrColumn getDateStart() { + return delegate.getColumn("date_start", DelegatingStrColumn::new); + } + + /** + * Approximate average time in seconds to integrate each + * step of the scan. The precise time for integration + * of each particular step must be provided in + * _diffrn_scan_frame.integration_time, even + * if all steps have the same integration time. + * @return FloatColumn + */ + public FloatColumn getIntegrationTime() { + return delegate.getColumn("integration_time", DelegatingFloatColumn::new); + } + + /** + * The value of this data item is the identifier of the + * first frame in the scan. + * + * This item is a pointer to _diffrn_data_frame.id in the + * DIFFRN_DATA_FRAME category. + * @return StrColumn + */ + public StrColumn getFrameIdStart() { + return delegate.getColumn("frame_id_start", DelegatingStrColumn::new); + } + + /** + * The value of this data item is the identifier of the + * last frame in the scan. + * + * This item is a pointer to _diffrn_data_frame.id in the + * DIFFRN_DATA_FRAME category. + * @return StrColumn + */ + public StrColumn getFrameIdEnd() { + return delegate.getColumn("frame_id_end", DelegatingStrColumn::new); + } + + /** + * The value of this data item is the number of frames in + * the scan. + * @return IntColumn + */ + public IntColumn getFrames() { + return delegate.getColumn("frames", DelegatingIntColumn::new); + } + + /** + * Approximate average time in seconds between the start + * of each step of the scan. The precise start-to-start + * time increment of each particular step may be provided in + * _diffrn_scan_frame.time_period. + * @return FloatColumn + */ + public FloatColumn getTimePeriod() { + return delegate.getColumn("time_period", DelegatingFloatColumn::new); + } + + /** + * Approximate average time in seconds between the end + * of integration of each step of the scan and the start + * of integration of the next step. + * + * In general, this will agree with + * _diffrn_scan_frame.time_rstrt_incr . The + * sum of the values of _diffrn_scan_frame.integration_time + * and _diffrn_scan_frame.time_rstrt_incr is the + * time from the start of integration of one frame and the start of + * integration for the next frame and should equal the value of + * _diffrn_scan_frame.time_period for this + * frame. If the individual frame values vary, then the value of + * _diffrn_scan.time_rstrt_incr will be + * representative of the ensemble of values of + * _diffrn_scan_frame.time_rstrt_incr (e.g. + * the mean). + * @return FloatColumn + */ + public FloatColumn getTimeRstrtIncr() { + return delegate.getColumn("time_rstrt_incr", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanAxis.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanAxis.java new file mode 100644 index 000000000..1c61aa037 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanAxis.java @@ -0,0 +1,241 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the DIFFRN_SCAN_AXIS category describe the settings of + * axes for particular scans. Unspecified axes are assumed to be at + * their zero points. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class DiffrnScanAxis extends DelegatingCategory { + public DiffrnScanAxis(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "scan_id": + return getScanId(); + case "axis_id": + return getAxisId(); + case "angle_start": + return getAngleStart(); + case "angle_range": + return getAngleRange(); + case "angle_increment": + return getAngleIncrement(); + case "angle_rstrt_incr": + return getAngleRstrtIncr(); + case "displacement_start": + return getDisplacementStart(); + case "displacement_range": + return getDisplacementRange(); + case "displacement_increment": + return getDisplacementIncrement(); + case "displacement_rstrt_incr": + return getDisplacementRstrtIncr(); + case "reference_angle": + return getReferenceAngle(); + case "reference_displacement": + return getReferenceDisplacement(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of this data item is the identifier of the + * scan for which axis settings are being specified. + * + * Multiple axes may be specified for the same value of + * _diffrn_scan.id. + * + * This item is a pointer to _diffrn_scan.id in the + * DIFFRN_SCAN category. + * @return StrColumn + */ + public StrColumn getScanId() { + return delegate.getColumn("scan_id", DelegatingStrColumn::new); + } + + /** + * The value of this data item is the identifier of one of + * the axes for the scan for which settings are being specified. + * + * Multiple axes may be specified for the same value of + * _diffrn_scan.id. + * + * This item is a pointer to _axis.id in the + * AXIS category. + * @return StrColumn + */ + public StrColumn getAxisId() { + return delegate.getColumn("axis_id", DelegatingStrColumn::new); + } + + /** + * The starting position for the specified axis in degrees. + * @return FloatColumn + */ + public FloatColumn getAngleStart() { + return delegate.getColumn("angle_start", DelegatingFloatColumn::new); + } + + /** + * The range from the starting position for the specified axis + * in degrees. + * @return FloatColumn + */ + public FloatColumn getAngleRange() { + return delegate.getColumn("angle_range", DelegatingFloatColumn::new); + } + + /** + * The increment for each step for the specified axis + * in degrees. In general, this will agree with + * _diffrn_scan_frame_axis.angle_increment . The + * sum of the values of _diffrn_scan_frame_axis.angle and + * _diffrn_scan_frame_axis.angle_increment is the + * angular setting of the axis at the end of the integration + * time for a given frame. If the individual frame values + * vary, then the value of + * _diffrn_scan_axis.angle_increment will be + * representative + * of the ensemble of values of + * _diffrn_scan_frame_axis.angle_increment (e.g. + * the mean). + * @return FloatColumn + */ + public FloatColumn getAngleIncrement() { + return delegate.getColumn("angle_increment", DelegatingFloatColumn::new); + } + + /** + * The increment after each step for the specified axis + * in degrees. In general, this will agree with + * _diffrn_scan_frame_axis.angle_rstrt_incr . The + * sum of the values of _diffrn_scan_frame_axis.angle, + * _diffrn_scan_frame_axis.angle_increment + * and _diffrn_scan_frame_axis.angle_rstrt_incr is the + * angular setting of the axis at the start of the integration + * time for the next frame relative to a given frame and + * should equal _diffrn_scan_frame_axis.angle for this + * next frame. If the individual frame values + * vary, then the value of + * _diffrn_scan_axis.angle_rstrt_incr will be + * representative + * of the ensemble of values of + * _diffrn_scan_frame_axis.angle_rstrt_incr (e.g. + * the mean). + * @return FloatColumn + */ + public FloatColumn getAngleRstrtIncr() { + return delegate.getColumn("angle_rstrt_incr", DelegatingFloatColumn::new); + } + + /** + * The starting position for the specified axis in millimetres. + * @return FloatColumn + */ + public FloatColumn getDisplacementStart() { + return delegate.getColumn("displacement_start", DelegatingFloatColumn::new); + } + + /** + * The range from the starting position for the specified axis + * in millimetres. + * @return FloatColumn + */ + public FloatColumn getDisplacementRange() { + return delegate.getColumn("displacement_range", DelegatingFloatColumn::new); + } + + /** + * The increment for each step for the specified axis + * in millimetres. In general, this will agree with + * _diffrn_scan_frame_axis.displacement_increment. + * The sum of the values of + * _diffrn_scan_frame_axis.displacement and + * _diffrn_scan_frame_axis.displacement_increment is the + * angular setting of the axis at the end of the integration + * time for a given frame. If the individual frame values + * vary, then the value of + * _diffrn_scan_axis.displacement_increment will be + * representative of the ensemble of values of + * _diffrn_scan_frame_axis.displacement_increment (e.g. + * the mean). + * @return FloatColumn + */ + public FloatColumn getDisplacementIncrement() { + return delegate.getColumn("displacement_increment", DelegatingFloatColumn::new); + } + + /** + * The increment for each step for the specified axis + * in millimetres. In general, this will agree with + * _diffrn_scan_frame_axis.displacement_rstrt_incr. + * The sum of the values of + * _diffrn_scan_frame_axis.displacement, + * _diffrn_scan_frame_axis.displacement_increment and + * _diffrn_scan_frame_axis.displacement_rstrt_incr is the + * angular setting of the axis at the start of the integration + * time for the next frame relative to a given frame and + * should equal _diffrn_scan_frame_axis.displacement + * for this next frame. If the individual frame values + * vary, then the value of + * _diffrn_scan_axis.displacement_rstrt_incr will be + * representative of the ensemble of values of + * _diffrn_scan_frame_axis.displacement_rstrt_incr (e.g. + * the mean). + * @return FloatColumn + */ + public FloatColumn getDisplacementRstrtIncr() { + return delegate.getColumn("displacement_rstrt_incr", DelegatingFloatColumn::new); + } + + /** + * The setting of the specified axis in degrees + * against which measurements of the reference beam centre + * and reference detector distance should be made. + * + * In general, this will agree with + * _diffrn_scan_frame_axis.reference_angle. + * + * If the individual frame values vary, then the value of + * _diffrn_scan_axis.reference_angle will be + * representative of the ensemble of values of + * _diffrn_scan_frame_axis.reference_angle (e.g. + * the mean). + * + * If not specified, the value defaults to zero. + * @return FloatColumn + */ + public FloatColumn getReferenceAngle() { + return delegate.getColumn("reference_angle", DelegatingFloatColumn::new); + } + + /** + * The setting of the specified axis in millimetres + * against which measurements of the reference beam centre + * and reference detector distance should be made. + * + * In general, this will agree with + * _diffrn_scan_frame_axis.reference_displacement. + * + * If the individual frame values vary, then the value of + * _diffrn_scan_axis.reference_displacement will be + * representative of the ensemble of values of + * _diffrn_scan_frame_axis.reference_displacement (e.g. + * the mean). + * @return FloatColumn + */ + public FloatColumn getReferenceDisplacement() { + return delegate.getColumn("reference_displacement", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanCollection.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanCollection.java new file mode 100644 index 000000000..0366c0e96 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanCollection.java @@ -0,0 +1,83 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the DIFFRN_SCAN_COLLECTION category describe + * the collection strategy for each scan. + * + * This category is a preliminary version being developed as + * synchrotron and XFEL collection strategies evolve. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class DiffrnScanCollection extends DelegatingCategory { + public DiffrnScanCollection(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "details": + return getDetails(); + case "scan_id": + return getScanId(); + case "type": + return getType(); + case "translation_width": + return getTranslationWidth(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of _diffrn_scan_collection.details should give a + * description of special aspects of each collection strategy. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * The value of _diffrn_scan_collection.scan_id identifies the scan + * containing this frame. + * + * This item is a pointer to _diffrn_scan.id in the + * DIFFRN_SCAN category. + * + * In the case of a single-scan dataset, the value is implicit. + * @return StrColumn + */ + public StrColumn getScanId() { + return delegate.getColumn("scan_id", DelegatingStrColumn::new); + } + + /** + * The value of _diffrn_scan_collection.type identifies + * the strategy used in this scan, e.g. `rotation', 'raster', + * 'vector', 'still', etc. + * + * The default is 'rotation'. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * The value of _diffrn_scan_collection.translation_width + * gives the average single step translation in micrometres + * in collection strategies for which this information is + * appropriate, e.g. 'vector'. + * @return FloatColumn + */ + public FloatColumn getTranslationWidth() { + return delegate.getColumn("translation_width", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanFrame.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanFrame.java new file mode 100644 index 000000000..cf0a359fe --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanFrame.java @@ -0,0 +1,161 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the DIFFRN_SCAN_FRAME category describe + * the relationships of particular frames to scans. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class DiffrnScanFrame extends DelegatingCategory { + public DiffrnScanFrame(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "date": + return getDate(); + case "frame_id": + return getFrameId(); + case "frame_number": + return getFrameNumber(); + case "integration_time": + return getIntegrationTime(); + case "polarizn_Stokes_I": + return getPolariznStokesI(); + case "scan_id": + return getScanId(); + case "time_period": + return getTimePeriod(); + case "time_rstrt_incr": + return getTimeRstrtIncr(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The date and time of the start of the frame being scanned. + * @return StrColumn + */ + public StrColumn getDate() { + return delegate.getColumn("date", DelegatingStrColumn::new); + } + + /** + * The value of this data item is the identifier of the + * frame being examined. + * + * This item is a pointer to _diffrn_data_frame.id in the + * DIFFRN_DATA_FRAME category. + * @return StrColumn + */ + public StrColumn getFrameId() { + return delegate.getColumn("frame_id", DelegatingStrColumn::new); + } + + /** + * The value of this data item is the number of the frame + * within the scan, starting with 1. It is not necessarily + * the same as the value of _diffrn_scan_frame.frame_id, + * but it may be. + * @return IntColumn + */ + public IntColumn getFrameNumber() { + return delegate.getColumn("frame_number", DelegatingIntColumn::new); + } + + /** + * The time in seconds to integrate this step of the scan. + * This should be the precise time of integration of each + * particular frame. The value of this data item should + * be given explicitly for each frame and not inferred + * from the value of _diffrn_scan.integration_time. + * @return FloatColumn + */ + public FloatColumn getIntegrationTime() { + return delegate.getColumn("integration_time", DelegatingFloatColumn::new); + } + + /** + * The quantity Ip+In+Inp, where Ip is the intensity (amplitude + * squared) of the electric vector in the plane of polarization, + * In is the intensity (amplitude squared) of the electric vector + * in the plane of the normal to the plane of polarization, + * and Inp is the intensity (amplitude squared) of the + * non-polarized (incoherent) electric vector. + * + * This is an average or other representative sample of the + * frame. + * + * This is the first of the Stokes polarization parameters, + * I, Q, U, V [also known as I, M, C, S; see Berry et al. (1977)]. + * + * If the absolute intensity is not known, the value 1.0 + * is assumed for I, and all four Stokes parameters are + * dimensionless. When the absolute intensity is known, + * all four Stokes parameters are in units of watts per + * square metre. + * + * Note that, if the polarized intensity Ip+In is required, + * (Ip+In)^2^ is the sum of Q^2^+U^2^+V^2^. + * + * Reference: + * Berry, H. H., Gabrielse, G. & Livingston, A. E. (1977). + * 'Measurement of the Stokes parameters of light', + * Appl. Optics, 16:12, 3200--3205. + * @return FloatColumn + */ + public FloatColumn getPolariznStokesI() { + return delegate.getColumn("polarizn_Stokes_I", DelegatingFloatColumn::new); + } + + /** + * The value of _diffrn_scan_frame.scan_id identifies the scan + * containing this frame. + * + * This item is a pointer to _diffrn_scan.id in the + * DIFFRN_SCAN category. + * @return StrColumn + */ + public StrColumn getScanId() { + return delegate.getColumn("scan_id", DelegatingStrColumn::new); + } + + /** + * The time in seconds between the start of this frame and the + * start of the next frame, if any. If there is no next frame, + * a null value should be given. + * @return FloatColumn + */ + public FloatColumn getTimePeriod() { + return delegate.getColumn("time_period", DelegatingFloatColumn::new); + } + + /** + * The time in seconds between the end of integration of this step of the scan + * and the start of integration of the next step. + * + * The sum of the values of _diffrn_scan_frame.integration_time + * and _diffrn_scan_frame.time_rstrt_incr is the + * time from the start of integration of one frame and the start of + * integration for the next frame and should equal the value of + * _diffrn_scan_frame.time_period for this + * frame. The value of _diffrn_scan.time_rstrt_incr will be + * representative of the ensemble of values of + * _diffrn_scan_frame.time_rstrt_incr (e.g. + * the mean). + * + * If there is no next frame, a null value should be given. + * @return FloatColumn + */ + public FloatColumn getTimeRstrtIncr() { + return delegate.getColumn("time_rstrt_incr", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanFrameAxis.java b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanFrameAxis.java new file mode 100644 index 000000000..88162eb9b --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/DiffrnScanFrameAxis.java @@ -0,0 +1,188 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the DIFFRN_SCAN_FRAME_AXIS category describe the + * settings of axes for particular frames. Unspecified axes are + * assumed to be at their zero points. If, for any given frame, + * nonzero values apply for any of the data items in this category, + * those values should be given explicitly in this category and not + * simply inferred from values in DIFFRN_SCAN_AXIS. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class DiffrnScanFrameAxis extends DelegatingCategory { + public DiffrnScanFrameAxis(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "axis_id": + return getAxisId(); + case "angle": + return getAngle(); + case "angle_increment": + return getAngleIncrement(); + case "angle_rstrt_incr": + return getAngleRstrtIncr(); + case "displacement": + return getDisplacement(); + case "displacement_increment": + return getDisplacementIncrement(); + case "displacement_rstrt_incr": + return getDisplacementRstrtIncr(); + case "frame_id": + return getFrameId(); + case "reference_angle": + return getReferenceAngle(); + case "reference_displacement": + return getReferenceDisplacement(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of this data item is the identifier of one of + * the axes for the frame for which settings are being specified. + * + * Multiple axes may be specified for the same value of + * _diffrn_scan_frame.frame_id. + * + * This item is a pointer to _axis.id in the + * AXIS category. + * @return StrColumn + */ + public StrColumn getAxisId() { + return delegate.getColumn("axis_id", DelegatingStrColumn::new); + } + + /** + * The setting of the specified axis in degrees for this frame. + * This is the setting at the start of the integration time. + * @return FloatColumn + */ + public FloatColumn getAngle() { + return delegate.getColumn("angle", DelegatingFloatColumn::new); + } + + /** + * The increment for this frame for the angular setting of + * the specified axis in degrees. The sum of the values + * of _diffrn_scan_frame_axis.angle and + * _diffrn_scan_frame_axis.angle_increment is the + * angular setting of the axis at the end of the integration + * time for this frame. + * @return FloatColumn + */ + public FloatColumn getAngleIncrement() { + return delegate.getColumn("angle_increment", DelegatingFloatColumn::new); + } + + /** + * The increment after this frame for the angular setting of + * the specified axis in degrees. The sum of the values + * of _diffrn_scan_frame_axis.angle, + * _diffrn_scan_frame_axis.angle_increment and + * _diffrn_scan_frame_axis.angle_rstrt_incr is the + * angular setting of the axis at the start of the integration + * time for the next frame and should equal + * _diffrn_scan_frame_axis.angle for this next frame. + * @return FloatColumn + */ + public FloatColumn getAngleRstrtIncr() { + return delegate.getColumn("angle_rstrt_incr", DelegatingFloatColumn::new); + } + + /** + * The setting of the specified axis in millimetres for this + * frame. This is the setting at the start of the integration + * time. + * @return FloatColumn + */ + public FloatColumn getDisplacement() { + return delegate.getColumn("displacement", DelegatingFloatColumn::new); + } + + /** + * The increment for this frame for the displacement setting of + * the specified axis in millimetres. The sum of the values + * of _diffrn_scan_frame_axis.displacement and + * _diffrn_scan_frame_axis.displacement_increment is the + * angular setting of the axis at the end of the integration + * time for this frame. + * @return FloatColumn + */ + public FloatColumn getDisplacementIncrement() { + return delegate.getColumn("displacement_increment", DelegatingFloatColumn::new); + } + + /** + * The increment for this frame for the displacement setting of + * the specified axis in millimetres. The sum of the values + * of _diffrn_scan_frame_axis.displacement, + * _diffrn_scan_frame_axis.displacement_increment and + * _diffrn_scan_frame_axis.displacement_rstrt_incr is the + * angular setting of the axis at the start of the integration + * time for the next frame and should equal + * _diffrn_scan_frame_axis.displacement for this next frame. + * @return FloatColumn + */ + public FloatColumn getDisplacementRstrtIncr() { + return delegate.getColumn("displacement_rstrt_incr", DelegatingFloatColumn::new); + } + + /** + * The value of this data item is the identifier of the + * frame for which axis settings are being specified. + * + * Multiple axes may be specified for the same value of + * _diffrn_scan_frame.frame_id. + * + * This item is a pointer to _diffrn_data_frame.id in the + * DIFFRN_DATA_FRAME category. + * @return StrColumn + */ + public StrColumn getFrameId() { + return delegate.getColumn("frame_id", DelegatingStrColumn::new); + } + + /** + * The setting of the specified axis in degrees + * against which measurements of the reference beam centre + * and reference detector distance should be made. + * + * This is normally the same for all frames, but the + * option is provided here of making changes when + * needed. + * + * If not provided, it is assumed to be zero. + * @return FloatColumn + */ + public FloatColumn getReferenceAngle() { + return delegate.getColumn("reference_angle", DelegatingFloatColumn::new); + } + + /** + * The setting of the specified axis in millimetres for this + * frame against which measurements of the reference beam centre + * and reference detector distance should be made. + * + * This is normally the same for all frames, but the + * option is provided here of making changes when + * needed. + * + * If not provided, it is assumed to be equal to + * _diffrn_scan_frame_axis.displacement. + * @return FloatColumn + */ + public FloatColumn getReferenceDisplacement() { + return delegate.getColumn("reference_displacement", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/Em2dCrystalEntity.java b/src/main/java/org/rcsb/cif/schema/mm/Em2dCrystalEntity.java index e187d31e4..da0105f8b 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Em2dCrystalEntity.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Em2dCrystalEntity.java @@ -66,7 +66,7 @@ public StrColumn getImageProcessingId() { } /** - * Unique key for the 2d_crystal_entity category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -82,7 +82,7 @@ public StrColumn getEntityAssemblyId() { } /** - * Unit-cell length a in Angstroms. + * Unit-cell length a in angstroms. * @return FloatColumn */ public FloatColumn getLengthA() { @@ -90,7 +90,7 @@ public FloatColumn getLengthA() { } /** - * Unit-cell length b in Angstroms. + * Unit-cell length b in angstroms. * @return FloatColumn */ public FloatColumn getLengthB() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/Em3dCrystalEntity.java b/src/main/java/org/rcsb/cif/schema/mm/Em3dCrystalEntity.java index b068d91cb..f1c1f1837 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Em3dCrystalEntity.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Em3dCrystalEntity.java @@ -76,7 +76,7 @@ public StrColumn getImageProcessingId() { } /** - * Unique key for the em_3d_crystal_entity category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -84,7 +84,7 @@ public StrColumn getId() { } /** - * Unit-cell length a in Angstroms. + * Unit-cell length a in angstroms. * @return FloatColumn */ public FloatColumn getLengthA() { @@ -92,7 +92,7 @@ public FloatColumn getLengthA() { } /** - * Unit-cell length b in Angstroms. + * Unit-cell length b in angstroms. * @return FloatColumn */ public FloatColumn getLengthB() { @@ -100,7 +100,7 @@ public FloatColumn getLengthB() { } /** - * Unit-cell length c in Angstroms. + * Unit-cell length c in angstroms. * @return FloatColumn */ public FloatColumn getLengthC() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/Em3dFitting.java b/src/main/java/org/rcsb/cif/schema/mm/Em3dFitting.java index 15f2d49a2..c6b05935c 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Em3dFitting.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Em3dFitting.java @@ -38,6 +38,8 @@ protected Column createDelegate(String columnName, Column column) { return getRefSpace(); case "ref_protocol": return getRefProtocol(); + case "initial_refinement_model_id": + return getInitialRefinementModelId(); default: return new DelegatingColumn(column); } @@ -123,4 +125,13 @@ public StrColumn getRefProtocol() { return delegate.getColumn("ref_protocol", DelegatingStrColumn::new); } + /** + * The value of _em_3d_fitting.initial_refinement_model_id itentifies the id + * in the _pdbx_initial_refinement_model + * @return IntColumn + */ + public IntColumn getInitialRefinementModelId() { + return delegate.getColumn("initial_refinement_model_id", DelegatingIntColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/Em3dFittingList.java b/src/main/java/org/rcsb/cif/schema/mm/Em3dFittingList.java index 2b11334ed..f4b3d9a50 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Em3dFittingList.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Em3dFittingList.java @@ -31,13 +31,25 @@ protected Column createDelegate(String columnName, Column column) { return getPdbChainResidueRange(); case "details": return getDetails(); + case "chain_id": + return getChainId(); + case "chain_residue_range": + return getChainResidueRange(); + case "source_name": + return getSourceName(); + case "type": + return getType(); + case "accession_code": + return getAccessionCode(); + case "initial_refinement_model_id": + return getInitialRefinementModelId(); default: return new DelegatingColumn(column); } } /** - * This data item is a unique identifier. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -72,7 +84,7 @@ public StrColumn getPdbChainId() { } /** - * The molecular entities represented in this fitting description. + * Residue range for the identified chain. * @return StrColumn */ public StrColumn getPdbChainResidueRange() { @@ -87,4 +99,56 @@ public StrColumn getDetails() { return delegate.getColumn("details", DelegatingStrColumn::new); } + /** + * The ID of the biopolymer chain used for fitting, e.g., A. Please note that + * only one chain can be specified per instance. If all chains of a particular + * structure have been used for fitting, this field can be left blank. + * @return StrColumn + */ + public StrColumn getChainId() { + return delegate.getColumn("chain_id", DelegatingStrColumn::new); + } + + /** + * The residue ranges of the initial model used in this fitting. + * @return StrColumn + */ + public StrColumn getChainResidueRange() { + return delegate.getColumn("chain_residue_range", DelegatingStrColumn::new); + } + + /** + * This item identifies the resource of initial model used for refinement + * @return StrColumn + */ + public StrColumn getSourceName() { + return delegate.getColumn("source_name", DelegatingStrColumn::new); + } + + /** + * This item describes the type of the initial model was generated + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * This item identifies an accession code of the resource where the initial model + * is used + * @return StrColumn + */ + public StrColumn getAccessionCode() { + return delegate.getColumn("accession_code", DelegatingStrColumn::new); + } + + /** + * The value of _em_3d_fitting.initial_refinement_model_id itentifies the id + * in the _pdbx_initial_refinement_model + * @return IntColumn + */ + public IntColumn getInitialRefinementModelId() { + return delegate.getColumn("initial_refinement_model_id", DelegatingIntColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/Em3dReconstruction.java b/src/main/java/org/rcsb/cif/schema/mm/Em3dReconstruction.java index 134755920..14e5721e5 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Em3dReconstruction.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Em3dReconstruction.java @@ -72,8 +72,7 @@ public StrColumn getEntryId() { } /** - * The value of _em_3d_reconstruction.id must - * uniquely identify the 3d reconstruction. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -89,7 +88,7 @@ public StrColumn getMethod() { } /** - * The algorithm used project from 2D orientations to 3D map. + * The reconstruction algorithm/technique used to generate the map. * @return StrColumn */ public StrColumn getAlgorithm() { @@ -114,7 +113,7 @@ public StrColumn getDetails() { } /** - * The final resolution (in Angstroms)of the 3D reconstruction. + * The final resolution (in angstroms) of the 3D reconstruction. * @return FloatColumn */ public FloatColumn getResolution() { @@ -160,7 +159,7 @@ public StrColumn getCtfCorrectionMethod() { } /** - * The nominal pixel size of the projection set of images. + * The nominal pixel size of the projection set of images in Angstroms. * @return FloatColumn */ public FloatColumn getNominalPixelSize() { @@ -168,7 +167,7 @@ public FloatColumn getNominalPixelSize() { } /** - * The actual pixel size of projection set of images. + * The actual pixel size of the projection set of images in Angstroms. * @return FloatColumn */ public FloatColumn getActualPixelSize() { @@ -192,9 +191,7 @@ public StrColumn getEulerAnglesDetails() { } /** - * This item was correspondence to two type of em dataset - * processing_emDataSet_singleParticle.numClassAverages - * processing_emDataSet_icosahedral.numClassAverages + * The number of classes used in the final 3d reconstruction * @return IntColumn */ public IntColumn getNumClassAverages() { @@ -210,7 +207,7 @@ public StrColumn getSoftware() { } /** - * type of FSC curve used to determine map resolution + * Half-set refinement protocol (semi-independent or gold standard) * @return StrColumn */ public StrColumn getFscType() { @@ -218,7 +215,7 @@ public StrColumn getFscType() { } /** - * type of refinement performed in order to determine map resolution + * Indicates details on how the half-map used for resolution determination (usually by FSC) have been generated. * @return StrColumn */ public StrColumn getRefinementType() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmAdmin.java b/src/main/java/org/rcsb/cif/schema/mm/EmAdmin.java index 8b754ba8c..2514193be 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmAdmin.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmAdmin.java @@ -41,6 +41,10 @@ protected Column createDelegate(String columnName, Column column) { return getReplaceExistingEntryFlag(); case "title": return getTitle(); + case "process_site": + return getProcessSite(); + case "composite_map": + return getCompositeMap(); default: return new DelegatingColumn(column); } @@ -103,7 +107,7 @@ public StrColumn getMapReleaseDate() { } /** - * date of the embargo expiration for this map entry + * Date when the map is due to be released after a specific hold period. * @return StrColumn */ public StrColumn getMapHoldDate() { @@ -127,7 +131,10 @@ public StrColumn getObsoletedDate() { } /** - * This item indicates that the current entry replaced a previously released structure. + * Please indicate whether the current entry is intended to supersede a + * previously released entry. Please contact wwPDB annotation staff using the + * "Communication" page if you have any questions regarding how to answer this + * question. * @return StrColumn */ public StrColumn getReplaceExistingEntryFlag() { @@ -142,4 +149,20 @@ public StrColumn getTitle() { return delegate.getColumn("title", DelegatingStrColumn::new); } + /** + * The site where the file was deposited. + * @return StrColumn + */ + public StrColumn getProcessSite() { + return delegate.getColumn("process_site", DelegatingStrColumn::new); + } + + /** + * Indicates whether the authors have declared that this is a composite map deposition + * @return StrColumn + */ + public StrColumn getCompositeMap() { + return delegate.getColumn("composite_map", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmAuthorList.java b/src/main/java/org/rcsb/cif/schema/mm/EmAuthorList.java index cfb1fa616..cb888e40e 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmAuthorList.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmAuthorList.java @@ -19,6 +19,8 @@ protected Column createDelegate(String columnName, Column column) { switch (columnName) { case "author": return getAuthor(); + case "identifier_ORCID": + return getIdentifierORCID(); case "ordinal": return getOrdinal(); default: @@ -34,6 +36,14 @@ public StrColumn getAuthor() { return delegate.getColumn("author", DelegatingStrColumn::new); } + /** + * The Open Researcher and Contributor ID (ORCID). + * @return StrColumn + */ + public StrColumn getIdentifierORCID() { + return delegate.getColumn("identifier_ORCID", DelegatingStrColumn::new); + } + /** * ID 1 corresponds to the main author of the entry * @return IntColumn diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmBuffer.java b/src/main/java/org/rcsb/cif/schema/mm/EmBuffer.java index 8a074ebf5..ae87046ae 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmBuffer.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmBuffer.java @@ -34,8 +34,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * The value of _em_buffer.id must - * uniquely identify the sample buffer. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmBufferComponent.java b/src/main/java/org/rcsb/cif/schema/mm/EmBufferComponent.java index 4cb3f7e50..000a09daf 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmBufferComponent.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmBufferComponent.java @@ -67,7 +67,7 @@ public StrColumn getFormula() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmCrystalFormation.java b/src/main/java/org/rcsb/cif/schema/mm/EmCrystalFormation.java index 16df791e1..50b27c6b3 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmCrystalFormation.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmCrystalFormation.java @@ -59,7 +59,7 @@ public StrColumn getDetails() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -91,7 +91,7 @@ public FloatColumn getLipidProteinRatio() { } /** - * Foreign key relationship to the EMD SPECIMEN category + * Foreign key relationship to the em_specimen category * @return StrColumn */ public StrColumn getSpecimenId() { @@ -99,7 +99,7 @@ public StrColumn getSpecimenId() { } /** - * The value of the temperature in degrees Kelvin used for + * The value of the temperature in kelvin used for * growing the crystals. * @return IntColumn */ diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmCtfCorrection.java b/src/main/java/org/rcsb/cif/schema/mm/EmCtfCorrection.java index 58c4c6e11..93a15f1e0 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmCtfCorrection.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmCtfCorrection.java @@ -93,7 +93,7 @@ public StrColumn getEmImageProcessingId() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmDbReference.java b/src/main/java/org/rcsb/cif/schema/mm/EmDbReference.java index 7b2c22308..911d91b17 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmDbReference.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmDbReference.java @@ -58,7 +58,7 @@ public StrColumn getDetails() { } /** - * The name of the database containing the related entry. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmDbReferenceAuxiliary.java b/src/main/java/org/rcsb/cif/schema/mm/EmDbReferenceAuxiliary.java index 37c9a3764..ca7bd3f54 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmDbReferenceAuxiliary.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmDbReferenceAuxiliary.java @@ -30,7 +30,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * Unique identifier for a provided link. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmDepui.java b/src/main/java/org/rcsb/cif/schema/mm/EmDepui.java index f2b521df2..6887c2058 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmDepui.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmDepui.java @@ -17,6 +17,8 @@ public EmDepui(Category delegate) { @Override protected Column createDelegate(String columnName, Column column) { switch (columnName) { + case "composite_map_deposition": + return getCompositeMapDeposition(); case "depositor_hold_instructions": return getDepositorHoldInstructions(); case "entry_id": @@ -34,6 +36,14 @@ protected Column createDelegate(String columnName, Column column) { } } + /** + * Indicates whether the authors have declared that this is a composite map deposition + * @return StrColumn + */ + public StrColumn getCompositeMapDeposition() { + return delegate.getColumn("composite_map_deposition", DelegatingStrColumn::new); + } + /** * Choose the manner in which you would like the map and associated files (half * maps, additional maps, masks, FSC curves, structure factors, layer lines, and @@ -50,7 +60,7 @@ public StrColumn getDepositorHoldInstructions() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getEntryId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmDiffraction.java b/src/main/java/org/rcsb/cif/schema/mm/EmDiffraction.java index 3dc6a8808..b639160a9 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmDiffraction.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmDiffraction.java @@ -31,7 +31,10 @@ protected Column createDelegate(String columnName, Column column) { } /** - * + * The camera length (in millimeters). The camera length is the + * product of the objective focal length and the combined magnification + * of the intermediate and projector lenses when the microscope is + * operated in the diffraction mode. * @return FloatColumn */ public FloatColumn getCameraLength() { @@ -39,7 +42,7 @@ public FloatColumn getCameraLength() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmDiffractionShell.java b/src/main/java/org/rcsb/cif/schema/mm/EmDiffractionShell.java index 232f430e4..1cc6165e6 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmDiffractionShell.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmDiffractionShell.java @@ -56,7 +56,7 @@ public FloatColumn getFourierSpaceCoverage() { } /** - * High resolution limit for this shell (Angstroms) + * High resolution limit for this shell (angstroms) * @return FloatColumn */ public FloatColumn getHighResolution() { @@ -64,7 +64,7 @@ public FloatColumn getHighResolution() { } /** - * Unique identifier for the category em_diffraction_shell + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -72,7 +72,7 @@ public StrColumn getId() { } /** - * Low resolution limit for this shell (Angstroms) + * Low resolution limit for this shell (angstroms) * @return FloatColumn */ public FloatColumn getLowResolution() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmDiffractionStats.java b/src/main/java/org/rcsb/cif/schema/mm/EmDiffractionStats.java index 8a00e9db9..16d00b911 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmDiffractionStats.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmDiffractionStats.java @@ -64,7 +64,7 @@ public FloatColumn getFourierSpaceCoverage() { } /** - * High resolution limit of the structure factor data, in Angstroms + * High resolution limit of the structure factor data, in angstroms * @return FloatColumn */ public FloatColumn getHighResolution() { @@ -72,7 +72,7 @@ public FloatColumn getHighResolution() { } /** - * Identifier for this category + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmEmbedding.java b/src/main/java/org/rcsb/cif/schema/mm/EmEmbedding.java index aeffefcff..16cfb3842 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmEmbedding.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmEmbedding.java @@ -39,7 +39,7 @@ public StrColumn getDetails() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -55,7 +55,7 @@ public StrColumn getMaterial() { } /** - * Foreign key relationship to the EMD SPECIMEN category + * Foreign key relationship to the EM SPECIMEN category * @return StrColumn */ public StrColumn getSpecimenId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssembly.java b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssembly.java index 8f26b62e3..d049dc478 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssembly.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssembly.java @@ -67,14 +67,15 @@ protected Column createDelegate(String columnName, Column column) { return getEbiExpressionSystemPlasmid(); case "mutant_flag": return getMutantFlag(); + case "chimera": + return getChimera(); default: return new DelegatingColumn(column); } } /** - * The value of _em_entity_assembly.id identifies - * one component of the complex. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -101,7 +102,8 @@ public IntColumn getParentId() { } /** - * The assembly type. + * The type of source (e.g., natural source) for the component (sample or sample + * subcomponent) * @return StrColumn */ public StrColumn getSource() { @@ -109,8 +111,7 @@ public StrColumn getSource() { } /** - * A description of types of components of the - * assembly of the biological structure. + * The general type of the sample or sample subcomponent. * @return StrColumn */ public StrColumn getType() { @@ -118,7 +119,7 @@ public StrColumn getType() { } /** - * Name of this component in the observed assembly. + * The name of the sample or sample subcomponent. * @return StrColumn */ public StrColumn getName() { @@ -126,7 +127,7 @@ public StrColumn getName() { } /** - * Additional details about the component. + * Additional details about the sample or sample subcomponent. * @return StrColumn */ public StrColumn getDetails() { @@ -280,4 +281,12 @@ public StrColumn getMutantFlag() { return delegate.getColumn("mutant_flag", DelegatingStrColumn::new); } + /** + * An indication if an assembly is contains a chimeric polymer + * @return StrColumn + */ + public StrColumn getChimera() { + return delegate.getColumn("chimera", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyMolwt.java b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyMolwt.java index 7090ae15d..a6ead3cfc 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyMolwt.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyMolwt.java @@ -36,8 +36,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * A reference to _em_entity_assembly.id which uniquely identifies - * one assembly or assembly component of the imaged sample. + * A reference to em_entity_assembly.id which uniquely identifies one sample or sample subcomponent of the imaged specimen. * @return StrColumn */ public StrColumn getEntityAssemblyId() { @@ -53,7 +52,7 @@ public StrColumn getExperimentalFlag() { } /** - * Ordinal key for the em_entity_assembly_molwt category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -69,7 +68,7 @@ public StrColumn getUnits() { } /** - * The molecular weight of the assembly component. + * The molecular weight of the sample or sample subcomponent * @return FloatColumn */ public FloatColumn getValue() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyNaturalsource.java b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyNaturalsource.java index f556b85e1..da5fda9f8 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyNaturalsource.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyNaturalsource.java @@ -38,6 +38,8 @@ protected Column createDelegate(String columnName, Column column) { return getStrain(); case "tissue": return getTissue(); + case "details": + return getDetails(); default: return new DelegatingColumn(column); } @@ -68,7 +70,7 @@ public StrColumn getEntityAssemblyId() { } /** - * Ordinal key for the em_entity_assembly_naturalsource category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -84,7 +86,7 @@ public IntColumn getNcbiTaxId() { } /** - * The genus-species of the natural organism from which the component was obtained. + * The scientific name of the source organism for the component * @return StrColumn */ public StrColumn getOrganism() { @@ -124,4 +126,12 @@ public StrColumn getTissue() { return delegate.getColumn("tissue", DelegatingStrColumn::new); } + /** + * Additional details describing this natural source. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyRecombinant.java b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyRecombinant.java index 94538eb32..82692a7e5 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyRecombinant.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblyRecombinant.java @@ -55,7 +55,7 @@ public StrColumn getEntityAssemblyId() { } /** - * Ordinal identifier + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblySynthetic.java b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblySynthetic.java new file mode 100644 index 000000000..52aa1d8ad --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/EmEntityAssemblySynthetic.java @@ -0,0 +1,127 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in this category record taxonomic details about the synthetic source for EM + * assemblies and assembly components. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class EmEntityAssemblySynthetic extends DelegatingCategory { + public EmEntityAssemblySynthetic(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "cell": + return getCell(); + case "cellular_location": + return getCellularLocation(); + case "entity_assembly_id": + return getEntityAssemblyId(); + case "id": + return getId(); + case "ncbi_tax_id": + return getNcbiTaxId(); + case "organism": + return getOrganism(); + case "organelle": + return getOrganelle(); + case "organ": + return getOrgan(); + case "strain": + return getStrain(); + case "tissue": + return getTissue(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The cell type from which the component was obtained. + * @return StrColumn + */ + public StrColumn getCell() { + return delegate.getColumn("cell", DelegatingStrColumn::new); + } + + /** + * The cellular location of the component. + * @return StrColumn + */ + public StrColumn getCellularLocation() { + return delegate.getColumn("cellular_location", DelegatingStrColumn::new); + } + + /** + * Pointer to the assembly component defined in the EM ENTITY ASSEMBLY category. + * @return StrColumn + */ + public StrColumn getEntityAssemblyId() { + return delegate.getColumn("entity_assembly_id", DelegatingStrColumn::new); + } + + /** + * PRIMARY KEY + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * The NCBI taxonomy id for the synthetic organism source of the component. + * @return IntColumn + */ + public IntColumn getNcbiTaxId() { + return delegate.getColumn("ncbi_tax_id", DelegatingIntColumn::new); + } + + /** + * The scientific name of the source organism for the component + * @return StrColumn + */ + public StrColumn getOrganism() { + return delegate.getColumn("organism", DelegatingStrColumn::new); + } + + /** + * The organelle from which the component was obtained. + * @return StrColumn + */ + public StrColumn getOrganelle() { + return delegate.getColumn("organelle", DelegatingStrColumn::new); + } + + /** + * The organ of the organism from which the component was obtained. + * @return StrColumn + */ + public StrColumn getOrgan() { + return delegate.getColumn("organ", DelegatingStrColumn::new); + } + + /** + * The strain of the synthetic organism from which the component was + * obtained, if relevant. + * @return StrColumn + */ + public StrColumn getStrain() { + return delegate.getColumn("strain", DelegatingStrColumn::new); + } + + /** + * The tissue of the synthetic organism from which the component was obtained. + * @return StrColumn + */ + public StrColumn getTissue() { + return delegate.getColumn("tissue", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmEulerAngleAssignment.java b/src/main/java/org/rcsb/cif/schema/mm/EmEulerAngleAssignment.java index 9ac826da1..a0cf299d1 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmEulerAngleAssignment.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmEulerAngleAssignment.java @@ -47,7 +47,7 @@ public StrColumn getDetails() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmExperiment.java b/src/main/java/org/rcsb/cif/schema/mm/EmExperiment.java index b395826a8..d95f7956e 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmExperiment.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmExperiment.java @@ -44,7 +44,7 @@ public StrColumn getEntryId() { } /** - * Placeholder ID. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmFiducialMarkers.java b/src/main/java/org/rcsb/cif/schema/mm/EmFiducialMarkers.java index cc2714f4d..4968f6172 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmFiducialMarkers.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmFiducialMarkers.java @@ -39,7 +39,7 @@ public FloatColumn getDiameter() { } /** - * Foreign key relationship to the EMD SPECIMEN category + * Foreign key relationship to the EM TOMOGRAPHY SPECIMEN category * @return StrColumn */ public StrColumn getEmTomographySpecimenId() { @@ -47,7 +47,7 @@ public StrColumn getEmTomographySpecimenId() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmFinalClassification.java b/src/main/java/org/rcsb/cif/schema/mm/EmFinalClassification.java index 4ccb9605b..f117656b7 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmFinalClassification.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmFinalClassification.java @@ -35,7 +35,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * The average number of images per class in the final 2D classification + * The average number of images per class in the final 2D/3D classification * @return IntColumn */ public IntColumn getAvgNumImagesPerClass() { @@ -43,7 +43,7 @@ public IntColumn getAvgNumImagesPerClass() { } /** - * Additional details about the final 2D classification + * Additional details about the final 2D/3D classification * @return StrColumn */ public StrColumn getDetails() { @@ -51,7 +51,7 @@ public StrColumn getDetails() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -67,7 +67,7 @@ public StrColumn getImageProcessingId() { } /** - * The number of classes used in the final 2D classification + * The number of classes used in the final 2D/3D classification * @return IntColumn */ public IntColumn getNumClasses() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmFocusedIonBeam.java b/src/main/java/org/rcsb/cif/schema/mm/EmFocusedIonBeam.java index ce53930a4..bdc75bb07 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmFocusedIonBeam.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmFocusedIonBeam.java @@ -71,11 +71,11 @@ public IntColumn getDoseRate() { } /** - * Milling time in seconds (is seconds most appropriate unit?) - * @return IntColumn + * Milling time in seconds + * @return FloatColumn */ - public IntColumn getDuration() { - return delegate.getColumn("duration", DelegatingIntColumn::new); + public FloatColumn getDuration() { + return delegate.getColumn("duration", DelegatingFloatColumn::new); } /** @@ -95,7 +95,7 @@ public IntColumn getFinalThickness() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -127,7 +127,7 @@ public StrColumn getIon() { } /** - * Temperature of the sample during milling, in degrees Kelvin + * Temperature of the sample during milling, in kelvins * @return IntColumn */ public IntColumn getTemperature() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmFscCurve.java b/src/main/java/org/rcsb/cif/schema/mm/EmFscCurve.java index d51483d25..889412090 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmFscCurve.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmFscCurve.java @@ -46,7 +46,7 @@ public StrColumn getFile() { } /** - * This data item provides a unique identifier for each archived FSC curve. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmGridPretreatment.java b/src/main/java/org/rcsb/cif/schema/mm/EmGridPretreatment.java index e31bf2530..d5f78b2c0 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmGridPretreatment.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmGridPretreatment.java @@ -43,7 +43,7 @@ public StrColumn getAtmosphere() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -59,7 +59,7 @@ public FloatColumn getPressure() { } /** - * Pointer to EM SAMPLE SUPPORT + * Pointer to EM SAMPLE SUPPORT * @return StrColumn */ public StrColumn getSampleSupportId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmHelicalEntity.java b/src/main/java/org/rcsb/cif/schema/mm/EmHelicalEntity.java index f9db7558d..c902ba7ac 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmHelicalEntity.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmHelicalEntity.java @@ -42,8 +42,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * The value of _em_helical_entity.id must uniquely identify - * a set of the filament parameters for this assembly component. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -63,8 +62,6 @@ public StrColumn getEntityAssemblyId() { } /** - * The value of _em_helical_entity.reconstruction_id identifies a particular reconstruction. - * * This data item is a pointer to _em_image_processing.id. * @return StrColumn */ @@ -97,7 +94,7 @@ public StrColumn getAxialSymmetry() { } /** - * The angular rotation per helical subunit in degrees. + * The angular rotation per helical subunit in degrees. Negative values indicate left-handed helices; positive values indicate right handed helices. * @return FloatColumn */ public FloatColumn getAngularRotationPerSubunit() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmHighPressureFreezing.java b/src/main/java/org/rcsb/cif/schema/mm/EmHighPressureFreezing.java index d77e21793..61d991e33 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmHighPressureFreezing.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmHighPressureFreezing.java @@ -39,7 +39,7 @@ public StrColumn getDetails() { } /** - * Foreign key relationship to the EMD SPECIMEN category + * Foreign key relationship to the EM TOMOGRAPHY SPECIMEN category * @return StrColumn */ public StrColumn getEmTomographySpecimenId() { @@ -47,7 +47,7 @@ public StrColumn getEmTomographySpecimenId() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmImageProcessing.java b/src/main/java/org/rcsb/cif/schema/mm/EmImageProcessing.java index c0925e1b8..c8220c0d7 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmImageProcessing.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmImageProcessing.java @@ -38,7 +38,7 @@ public StrColumn getDetails() { } /** - * This data item provides a unique identifier for each data processing block. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmImageRecording.java b/src/main/java/org/rcsb/cif/schema/mm/EmImageRecording.java index 4af05f35e..4778bb172 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmImageRecording.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmImageRecording.java @@ -21,6 +21,8 @@ protected Column createDelegate(String columnName, Column column) { switch (columnName) { case "average_exposure_time": return getAverageExposureTime(); + case "avg_electron_dose_per_subtomogram": + return getAvgElectronDosePerSubtomogram(); case "avg_electron_dose_per_image": return getAvgElectronDosePerImage(); case "details": @@ -52,6 +54,14 @@ public FloatColumn getAverageExposureTime() { return delegate.getColumn("average_exposure_time", DelegatingFloatColumn::new); } + /** + * The average total electron dose received by the specimen for each subtomogram (electrons per square angstrom). + * @return FloatColumn + */ + public FloatColumn getAvgElectronDosePerSubtomogram() { + return delegate.getColumn("avg_electron_dose_per_subtomogram", DelegatingFloatColumn::new); + } + /** * The electron dose received by the specimen per image (electrons per square angstrom). * @return FloatColumn @@ -78,7 +88,7 @@ public StrColumn getDetectorMode() { /** * The detector type used for recording images. - * Usually film or CCD camera. + * Usually film , CCD camera or direct electron detector. * @return StrColumn */ public StrColumn getFilmOrDetectorModel() { @@ -86,8 +96,7 @@ public StrColumn getFilmOrDetectorModel() { } /** - * The item _em_image_recording.id uniquely identifies - * a set of recorded images. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmImageScans.java b/src/main/java/org/rcsb/cif/schema/mm/EmImageScans.java index 477ad02c7..e8b568637 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmImageScans.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmImageScans.java @@ -129,7 +129,7 @@ public StrColumn getCitationId() { } /** - * height of scanned image + * Height of scanned image, in pixels * @return IntColumn */ public IntColumn getDimensionHeight() { @@ -137,7 +137,7 @@ public IntColumn getDimensionHeight() { } /** - * width of scanned image + * Width of scanned image, in pixels * @return IntColumn */ public IntColumn getDimensionWidth() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmImaging.java b/src/main/java/org/rcsb/cif/schema/mm/EmImaging.java index e30fae0dc..358d45482 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmImaging.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmImaging.java @@ -96,6 +96,12 @@ protected Column createDelegate(String columnName, Column column) { return getSpecimenId(); case "cryogen": return getCryogen(); + case "objective_aperture": + return getObjectiveAperture(); + case "microscope_serial_number": + return getMicroscopeSerialNumber(); + case "microscope_version": + return getMicroscopeVersion(); default: return new DelegatingColumn(column); } @@ -110,8 +116,7 @@ public StrColumn getEntryId() { } /** - * The value of _em_imaging.id must uniquely identify - * each imaging experiment. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -135,7 +140,7 @@ public StrColumn getElectronBeamTiltParams() { } /** - * residual tilt of the electron beam + * Residual tilt of the electron beam (in miliradians) * @return FloatColumn */ public FloatColumn getResidualTilt() { @@ -254,7 +259,7 @@ public FloatColumn getNominalCs() { /** * The minimum defocus value of the objective lens (in nanometers) used - * to obtain the recorded images. + * to obtain the recorded images. Negative values refer to overfocus. * @return FloatColumn */ public FloatColumn getNominalDefocusMin() { @@ -263,7 +268,7 @@ public FloatColumn getNominalDefocusMin() { /** * The maximum defocus value of the objective lens (in nanometers) used - * to obtain the recorded images. + * to obtain the recorded images. Negative values refer to overfocus. * @return FloatColumn */ public FloatColumn getNominalDefocusMax() { @@ -271,8 +276,8 @@ public FloatColumn getNominalDefocusMax() { } /** - * The minimum defocus value of the objective lens (in nanometers) used - * to obtain the recorded images. + * The minimum calibrated defocus value of the objective lens (in nanometers) used + * to obtain the recorded images. Negative values refer to overfocus. * @return FloatColumn */ public FloatColumn getCalibratedDefocusMin() { @@ -280,8 +285,8 @@ public FloatColumn getCalibratedDefocusMin() { } /** - * The maximum defocus value of the objective lens (in nanometers) used - * to obtain the recorded images. + * The maximum calibrated defocus value of the objective lens (in nanometers) used + * to obtain the recorded images. Negative values refer to overfocus. * @return FloatColumn */ public FloatColumn getCalibratedDefocusMax() { @@ -365,7 +370,7 @@ public StrColumn getCitationId() { } /** - * The mean specimen stage temperature (degrees Kelvin) during imaging + * The mean specimen stage temperature (in kelvin) during imaging * in the microscope. * @return FloatColumn */ @@ -385,7 +390,7 @@ public FloatColumn getDetectorDistance() { } /** - * The specimen temperature minimum (degrees Kelvin) for the duration + * The specimen temperature minimum (kelvin) for the duration * of imaging. * @return FloatColumn */ @@ -394,7 +399,7 @@ public FloatColumn getRecordingTemperatureMinimum() { } /** - * The specimen temperature maximum (degrees Kelvin) for the duration + * The specimen temperature maximum (kelvin) for the duration * of imaging. * @return FloatColumn */ @@ -403,7 +408,7 @@ public FloatColumn getRecordingTemperatureMaximum() { } /** - * microscope alignment procedure + * The type of procedure used to align the microscope electron beam. * @return StrColumn */ public StrColumn getAlignmentProcedure() { @@ -436,4 +441,28 @@ public StrColumn getCryogen() { return delegate.getColumn("cryogen", DelegatingStrColumn::new); } + /** + * Diameter, in microns, of the objective aperture. + * @return FloatColumn + */ + public FloatColumn getObjectiveAperture() { + return delegate.getColumn("objective_aperture", DelegatingFloatColumn::new); + } + + /** + * Microscope serial number + * @return StrColumn + */ + public StrColumn getMicroscopeSerialNumber() { + return delegate.getColumn("microscope_serial_number", DelegatingStrColumn::new); + } + + /** + * Version of the microscope + * @return StrColumn + */ + public StrColumn getMicroscopeVersion() { + return delegate.getColumn("microscope_version", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmImagingOptics.java b/src/main/java/org/rcsb/cif/schema/mm/EmImagingOptics.java index fbebe67e2..5c174358b 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmImagingOptics.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmImagingOptics.java @@ -35,6 +35,8 @@ protected Column createDelegate(String columnName, Column column) { return getPhasePlate(); case "sph_aberration_corrector": return getSphAberrationCorrector(); + case "details": + return getDetails(); default: return new DelegatingColumn(column); } @@ -81,7 +83,7 @@ public StrColumn getEnergyfilterUpper() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -112,4 +114,12 @@ public StrColumn getSphAberrationCorrector() { return delegate.getColumn("sph_aberration_corrector", DelegatingStrColumn::new); } + /** + * Details on the use of the phase plate + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmInterpretFigure.java b/src/main/java/org/rcsb/cif/schema/mm/EmInterpretFigure.java index a32718e53..73db37fd5 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmInterpretFigure.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmInterpretFigure.java @@ -45,7 +45,7 @@ public StrColumn getFile() { } /** - * This data item is the unique identifier for the image file. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmLayerLines.java b/src/main/java/org/rcsb/cif/schema/mm/EmLayerLines.java index 550ab9c68..0ff753719 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmLayerLines.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmLayerLines.java @@ -55,7 +55,7 @@ public StrColumn getFile() { } /** - * This data item is the unique identifier for the layer line file. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmMap.java b/src/main/java/org/rcsb/cif/schema/mm/EmMap.java index f3aa8cf0d..b403dea16 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmMap.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmMap.java @@ -59,6 +59,8 @@ protected Column createDelegate(String columnName, Column column) { return getEndianType(); case "file": return getFile(); + case "original_file": + return getOriginalFile(); case "format": return getFormat(); case "id": @@ -274,6 +276,14 @@ public StrColumn getFile() { return delegate.getColumn("file", DelegatingStrColumn::new); } + /** + * Depositiors original map file name. + * @return StrColumn + */ + public StrColumn getOriginalFile() { + return delegate.getColumn("original_file", DelegatingStrColumn::new); + } + /** * map format * @return StrColumn @@ -283,7 +293,7 @@ public StrColumn getFormat() { } /** - * Unique id for the EMD_MAP category. + * PRIMARY KEY * @return IntColumn */ public IntColumn getId() { @@ -291,8 +301,7 @@ public IntColumn getId() { } /** - * Identifies the archive file partition number of a primary map, - * half map, additional map, or mask. + * Identifies the archive file partition number of any map file * @return IntColumn */ public IntColumn getPartition() { @@ -377,7 +386,7 @@ public IntColumn getOriginSec() { } /** - * The length in Angstroms of one voxel along the X axis. + * The length in angstroms of one voxel along the X axis. * @return FloatColumn */ public FloatColumn getPixelSpacingX() { @@ -385,7 +394,7 @@ public FloatColumn getPixelSpacingX() { } /** - * The length in Angstroms of one voxel along the Y axis. + * The length in angstroms of one voxel along the Y axis. * @return FloatColumn */ public FloatColumn getPixelSpacingY() { @@ -393,7 +402,7 @@ public FloatColumn getPixelSpacingY() { } /** - * The length in Angstroms of one voxel along the Z axis. + * The length in angstroms of one voxel along the Z axis. * @return FloatColumn */ public FloatColumn getPixelSpacingZ() { @@ -471,14 +480,14 @@ public FloatColumn getStatisticsStd() { * The space group number for the map. * The value is 1 unless the sample is crystalline. * (CCP4 map header word 23 ISPG) - * @return StrColumn + * @return IntColumn */ - public StrColumn getSymmetrySpaceGroup() { - return delegate.getColumn("symmetry_space_group", DelegatingStrColumn::new); + public IntColumn getSymmetrySpaceGroup() { + return delegate.getColumn("symmetry_space_group", DelegatingIntColumn::new); } /** - * map format + * Map type * @return StrColumn */ public StrColumn getType() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmMapDepositorInfo.java b/src/main/java/org/rcsb/cif/schema/mm/EmMapDepositorInfo.java index 3b5defe56..3aded842c 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmMapDepositorInfo.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmMapDepositorInfo.java @@ -110,7 +110,7 @@ public StrColumn getAnnotationDetails() { } /** - * The length in Angstroms of one voxel along the X axis. + * The length in angstroms of one voxel along the X axis. * @return FloatColumn */ public FloatColumn getPixelSpacingX() { @@ -118,7 +118,7 @@ public FloatColumn getPixelSpacingX() { } /** - * The length in Angstroms of one voxel along the Y axis. + * The length in angstroms of one voxel along the Y axis. * @return FloatColumn */ public FloatColumn getPixelSpacingY() { @@ -126,7 +126,7 @@ public FloatColumn getPixelSpacingY() { } /** - * The length in Angstroms of one voxel along the Z axis. + * The length in angstroms of one voxel along the Z axis. * @return FloatColumn */ public FloatColumn getPixelSpacingZ() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmMaskDepositorInfo.java b/src/main/java/org/rcsb/cif/schema/mm/EmMaskDepositorInfo.java index c1c131752..f34b313ab 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmMaskDepositorInfo.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmMaskDepositorInfo.java @@ -80,7 +80,7 @@ public StrColumn getAnnotationDetails() { } /** - * The length in Angstroms of one voxel along the X axis. + * The length in angstroms of one voxel along the X axis. * @return FloatColumn */ public FloatColumn getPixelSpacingX() { @@ -88,7 +88,7 @@ public FloatColumn getPixelSpacingX() { } /** - * The length in Angstroms of one voxel along the Y axis. + * The length in angstroms of one voxel along the Y axis. * @return FloatColumn */ public FloatColumn getPixelSpacingY() { @@ -96,7 +96,7 @@ public FloatColumn getPixelSpacingY() { } /** - * The length in Angstroms of one voxel along the Z axis. + * The length in angstroms of one voxel along the Z axis. * @return FloatColumn */ public FloatColumn getPixelSpacingZ() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmMotionCorrection.java b/src/main/java/org/rcsb/cif/schema/mm/EmMotionCorrection.java new file mode 100644 index 000000000..3dc24897a --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/EmMotionCorrection.java @@ -0,0 +1,66 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the EM_MOTION_CORRECTION category record details + * corrections made during imaging the sample in the electron microscope. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class EmMotionCorrection extends DelegatingCategory { + public EmMotionCorrection(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "details": + return getDetails(); + case "type": + return getType(); + case "image_processing_id": + return getImageProcessingId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * PRIMARY KEY + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * A description of the motion correction operation in more detail + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * Type of motion correction carried out + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * pointer to _em_image_processing.id in the EM_IMAGE_PROCESSING category. + * @return StrColumn + */ + public StrColumn getImageProcessingId() { + return delegate.getColumn("image_processing_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmObsolete.java b/src/main/java/org/rcsb/cif/schema/mm/EmObsolete.java index 0089746ed..0ed5512b2 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmObsolete.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmObsolete.java @@ -39,7 +39,7 @@ public StrColumn getDate() { } /** - * Details + * Description of the reason(s) for entry obsoletion * @return StrColumn */ public StrColumn getDetails() { @@ -55,7 +55,7 @@ public StrColumn getEntry() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmParticleSelection.java b/src/main/java/org/rcsb/cif/schema/mm/EmParticleSelection.java index 2009064be..a12df5668 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmParticleSelection.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmParticleSelection.java @@ -37,7 +37,8 @@ protected Column createDelegate(String columnName, Column column) { } /** - * Any additional details used for selecting particles + * Additional detail such as description of filters used, if selection was + * manual or automated, and/or template details. * @return StrColumn */ public StrColumn getDetails() { @@ -45,7 +46,7 @@ public StrColumn getDetails() { } /** - * Ordinal identifier + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmSampleSupport.java b/src/main/java/org/rcsb/cif/schema/mm/EmSampleSupport.java index 93b6f888b..a5b64dcf7 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmSampleSupport.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmSampleSupport.java @@ -45,8 +45,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * The value of _em_sample_support.id must uniquely identify - * the sample support. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmShadowing.java b/src/main/java/org/rcsb/cif/schema/mm/EmShadowing.java index 065764d63..886f21f45 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmShadowing.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmShadowing.java @@ -51,7 +51,7 @@ public StrColumn getDetails() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -59,7 +59,7 @@ public StrColumn getId() { } /** - * The material used in the shadowing. + * The chemical, compound or material used for shadowing * @return StrColumn */ public StrColumn getMaterial() { @@ -67,7 +67,7 @@ public StrColumn getMaterial() { } /** - * Foreign key relationship to the EMD SPECIMEN category + * Foreign key relationship to the EM SPECIMEN category * @return StrColumn */ public StrColumn getSpecimenId() { @@ -75,7 +75,7 @@ public StrColumn getSpecimenId() { } /** - * Thickness of the deposited shadow coat, in Angstroms. + * Thickness of the deposited shadow coat, in angstroms. * @return FloatColumn */ public FloatColumn getThickness() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmSingleParticleEntity.java b/src/main/java/org/rcsb/cif/schema/mm/EmSingleParticleEntity.java index bf9bcecb4..3fbecee67 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmSingleParticleEntity.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmSingleParticleEntity.java @@ -42,7 +42,7 @@ public StrColumn getEntryId() { } /** - * Unique category label. + * PRIMARY KEY * @return IntColumn */ public IntColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmSoftware.java b/src/main/java/org/rcsb/cif/schema/mm/EmSoftware.java index a1d62cc95..39a835bee 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmSoftware.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmSoftware.java @@ -35,6 +35,8 @@ protected Column createDelegate(String columnName, Column column) { return getName(); case "version": return getVersion(); + case "reference_DOI": + return getReferenceDOI(); default: return new DelegatingColumn(column); } @@ -57,7 +59,7 @@ public StrColumn getDetails() { } /** - * Unique identifier for each software description. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -105,4 +107,13 @@ public StrColumn getVersion() { return delegate.getColumn("version", DelegatingStrColumn::new); } + /** + * Document Object Identifier used by doi.org to uniquely + * identify software being used. + * @return StrColumn + */ + public StrColumn getReferenceDOI() { + return delegate.getColumn("reference_DOI", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmSpecimen.java b/src/main/java/org/rcsb/cif/schema/mm/EmSpecimen.java index 462a9b2b3..b7cd1d3e1 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmSpecimen.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmSpecimen.java @@ -73,8 +73,7 @@ public StrColumn getExperimentId() { } /** - * The item _em_specimen.id uniquely identifies a specimen along with - * its preparation methods. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmStaining.java b/src/main/java/org/rcsb/cif/schema/mm/EmStaining.java index 7ca450950..f5904889e 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmStaining.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmStaining.java @@ -41,7 +41,7 @@ public StrColumn getDetails() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -57,7 +57,7 @@ public StrColumn getMaterial() { } /** - * Foreign key relationship to the EMD SPECIMEN category + * Foreign key relationship to the EM SPECIMEN category * @return StrColumn */ public StrColumn getSpecimenId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmStartModel.java b/src/main/java/org/rcsb/cif/schema/mm/EmStartModel.java index 94c98d723..4297de0ac 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmStartModel.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmStartModel.java @@ -66,7 +66,7 @@ public StrColumn getEmdbId() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmStructureFactors.java b/src/main/java/org/rcsb/cif/schema/mm/EmStructureFactors.java index 89412aa2d..3fb9ce3d8 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmStructureFactors.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmStructureFactors.java @@ -55,7 +55,7 @@ public StrColumn getFile() { } /** - * This data item is the unique identifier for the structure factor file. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmSupersede.java b/src/main/java/org/rcsb/cif/schema/mm/EmSupersede.java index 797a5970a..e460ee8e8 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmSupersede.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmSupersede.java @@ -55,7 +55,7 @@ public StrColumn getEntry() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmSupportFilm.java b/src/main/java/org/rcsb/cif/schema/mm/EmSupportFilm.java index fcf08823e..9f58bd089 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmSupportFilm.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmSupportFilm.java @@ -33,7 +33,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -57,7 +57,7 @@ public StrColumn getSampleSupportId() { } /** - * Thickness of the support film, in Angstroms + * Thickness of the support film, in angstroms * @return FloatColumn */ public FloatColumn getThickness() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmTomography.java b/src/main/java/org/rcsb/cif/schema/mm/EmTomography.java index 6c445615b..90002178d 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmTomography.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmTomography.java @@ -69,7 +69,7 @@ public FloatColumn getAxis1MinAngle() { /** * The angle increment of specimen tilting to obtain the - * recorded images (axis 1). + * recorded images (axis 2). * @return FloatColumn */ public FloatColumn getAxis2AngleIncrement() { @@ -78,7 +78,7 @@ public FloatColumn getAxis2AngleIncrement() { /** * The maximum angle at which the specimen was tilted to obtain - * recorded images (axis 1). + * recorded images (axis 2). * @return FloatColumn */ public FloatColumn getAxis2MaxAngle() { @@ -87,7 +87,7 @@ public FloatColumn getAxis2MaxAngle() { /** * The minimum angle at which the specimen was tilted to obtain - * recorded images (axis 1). + * recorded images (axis 2). * @return FloatColumn */ public FloatColumn getAxis2MinAngle() { @@ -103,7 +103,7 @@ public FloatColumn getDualTiltAxisRotation() { } /** - * Primary key + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmTomographySpecimen.java b/src/main/java/org/rcsb/cif/schema/mm/EmTomographySpecimen.java index aebc59811..568ed7984 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmTomographySpecimen.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmTomographySpecimen.java @@ -69,7 +69,7 @@ public StrColumn getHighPressureFreezing() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -85,7 +85,7 @@ public StrColumn getSectioning() { } /** - * Foreign key relationship to the EMD SPECIMEN category + * Foreign key relationship to the EM SPECIMEN category * @return StrColumn */ public StrColumn getSpecimenId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmUltramicrotomy.java b/src/main/java/org/rcsb/cif/schema/mm/EmUltramicrotomy.java index 03bd57df6..5f52a4d92 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmUltramicrotomy.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmUltramicrotomy.java @@ -43,7 +43,7 @@ public StrColumn getDetails() { } /** - * Foreign key relationship to the EMD SPECIMEN category + * Foreign key relationship to the EM TOMOGRAPHY SPECIMEN category * @return StrColumn */ public StrColumn getEmTomographySpecimenId() { @@ -59,7 +59,7 @@ public IntColumn getFinalThickness() { } /** - * This data item is the primary key of the category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -75,7 +75,7 @@ public StrColumn getInstrument() { } /** - * Temperature of the sample during microtome sectioning, in degrees Kelvin + * Temperature of the sample during microtome sectioning, in kelvins * @return IntColumn */ public IntColumn getTemperature() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmVirusEntity.java b/src/main/java/org/rcsb/cif/schema/mm/EmVirusEntity.java index 9c51e92f8..66456b00c 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmVirusEntity.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmVirusEntity.java @@ -46,7 +46,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * Is the unique identifier for VIRUS_ENTITY category. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmVirusNaturalHost.java b/src/main/java/org/rcsb/cif/schema/mm/EmVirusNaturalHost.java index 59b4b2434..8c3b9f95d 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmVirusNaturalHost.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmVirusNaturalHost.java @@ -41,7 +41,7 @@ public StrColumn getEntityAssemblyId() { } /** - * Unique identifier for the virus natural host. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -49,7 +49,7 @@ public StrColumn getId() { } /** - * The NCBI taxonomy of the host species from which the virus was isolated. + * The NCBI taxonomy id for the natural host organism of the virus * @return IntColumn */ public IntColumn getNcbiTaxId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmVirusShell.java b/src/main/java/org/rcsb/cif/schema/mm/EmVirusShell.java index b5af6cd35..0b3504258 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmVirusShell.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmVirusShell.java @@ -52,8 +52,7 @@ public StrColumn getEntityAssemblyId() { } /** - * The value of _em_em_virus_shell.id is a unique identifier for - * one virus shell. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -69,11 +68,10 @@ public StrColumn getName() { } /** - * The triangulation number (T number) is a geometric - * concept that refers to the organisation of subunits within the icosahedron. - * The triangulation number, T is given by the relationship - * T= h*2 + hk +k*2, where h and k are positive integers which define the - * position of the five-fold vertex on the original hexagonal net. + * The triangulation number, T, describes the organization of subunits within an + * icosahedron. T is defined as T= h^2 + h*k + k^2, where h and k are positive + * integers that define the position of the five-fold vertex on the original + * hexagonal net. * @return IntColumn */ public IntColumn getTriangulation() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmVirusSynthetic.java b/src/main/java/org/rcsb/cif/schema/mm/EmVirusSynthetic.java new file mode 100644 index 000000000..f89126114 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/EmVirusSynthetic.java @@ -0,0 +1,76 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in this category record details of a synthetic virus entity. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class EmVirusSynthetic extends DelegatingCategory { + public EmVirusSynthetic(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "entity_assembly_id": + return getEntityAssemblyId(); + case "id": + return getId(); + case "organism": + return getOrganism(); + case "ncbi_tax_id": + return getNcbiTaxId(); + case "strain": + return getStrain(); + default: + return new DelegatingColumn(column); + } + } + + /** + * Pointer to _em_entity_assembly.id. + * @return StrColumn + */ + public StrColumn getEntityAssemblyId() { + return delegate.getColumn("entity_assembly_id", DelegatingStrColumn::new); + } + + /** + * PRIMARY KEY + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * The host organism from which the virus was isolated. + * @return StrColumn + */ + public StrColumn getOrganism() { + return delegate.getColumn("organism", DelegatingStrColumn::new); + } + + /** + * The NCBI taxonomy ID of the host species from which the virus was isolated + * @return IntColumn + */ + public IntColumn getNcbiTaxId() { + return delegate.getColumn("ncbi_tax_id", DelegatingIntColumn::new); + } + + /** + * The strain of the host organism from which the virus was + * obtained, if relevant. + * @return StrColumn + */ + public StrColumn getStrain() { + return delegate.getColumn("strain", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmVitrification.java b/src/main/java/org/rcsb/cif/schema/mm/EmVitrification.java index e0d14f708..bebbddb2e 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmVitrification.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmVitrification.java @@ -60,8 +60,7 @@ public StrColumn getEntryId() { } /** - * The value of _em_vitrification.id must uniquely identify - * the vitrification procedure. + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { @@ -94,7 +93,8 @@ public StrColumn getCryogenName() { } /** - * The humidity (%) in the vicinity of the vitrification process. + * Relative humidity (%) of air surrounding the specimen just prior to + * vitrification. * @return FloatColumn */ public FloatColumn getHumidity() { @@ -102,7 +102,7 @@ public FloatColumn getHumidity() { } /** - * The vitrification temperature (in degrees Kelvin), e.g., + * The vitrification temperature (in kelvin), e.g., * temperature of the plunge instrument cryogen bath. * @return FloatColumn */ @@ -111,7 +111,7 @@ public FloatColumn getTemp() { } /** - * The temperature (in degrees Kelvin) of the sample just prior to vitrification. + * The temperature (in kelvin) of the sample just prior to vitrification. * @return FloatColumn */ public FloatColumn getChamberTemperature() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EmVolumeSelection.java b/src/main/java/org/rcsb/cif/schema/mm/EmVolumeSelection.java index 9536024ae..a1b9eefcb 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EmVolumeSelection.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EmVolumeSelection.java @@ -45,7 +45,7 @@ public StrColumn getDetails() { } /** - * Ordinal identifier + * PRIMARY KEY * @return StrColumn */ public StrColumn getId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EntityPoly.java b/src/main/java/org/rcsb/cif/schema/mm/EntityPoly.java index 8bdf93841..48c3ee496 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EntityPoly.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EntityPoly.java @@ -138,9 +138,52 @@ public StrColumn getPdbxStrandId() { } /** - * Chemical sequence expressed as string of one-letter - * amino acid codes. Modifications and non-standard - * amino acids are coded as X. + * Sequence of protein or nucleic acid polymer in standard one-letter + * codes of amino acids or nucleotides. Non-standard amino + * acids/nucleotides are represented by their Chemical + * Component Dictionary (CCD) codes in + * parenthesis. Deoxynucleotides are represented by the + * specially-assigned 2-letter CCD codes in parenthesis, + * with 'D' prefix added to their ribonucleotide + * counterparts. For hybrid polymer, each residue is + * represented by the code of its individual type. A + * cyclic polymer is represented in linear sequence from + * the chosen start to end. + * + * A for Alanine or Adenosine-5'-monophosphate + * C for Cysteine or Cytidine-5'-monophosphate + * D for Aspartic acid + * E for Glutamic acid + * F for Phenylalanine + * G for Glycine or Guanosine-5'-monophosphate + * H for Histidine + * I for Isoleucine or Inosinic Acid + * L for Leucine + * K for Lysine + * M for Methionine + * N for Asparagine or Unknown ribonucleotide + * O for Pyrrolysine + * P for Proline + * Q for Glutamine + * R for Arginine + * S for Serine + * T for Threonine + * U for Selenocysteine or Uridine-5'-monophosphate + * V for Valine + * W for Tryptophan + * Y for Tyrosine + * (DA) for 2'-deoxyadenosine-5'-monophosphate + * (DC) for 2'-deoxycytidine-5'-monophosphate + * (DG) for 2'-deoxyguanosine-5'-monophosphate + * (DT) for Thymidine-5'-monophosphate + * (MSE) for Selenomethionine + * (SEP) for Phosphoserine + * (TPO) for Phosphothreonine + * (PTR) for Phosphotyrosine + * (PCA) for Pyroglutamic acid + * (UNK) for Unknown amino acid + * (ACE) for Acetylation cap + * (NH2) for Amidation cap * @return StrColumn */ public StrColumn getPdbxSeqOneLetterCode() { @@ -148,33 +191,20 @@ public StrColumn getPdbxSeqOneLetterCode() { } /** - * Cannonical chemical sequence expressed as string of - * one-letter amino acid codes. Modifications are coded - * as the parent amino acid where possible. + * Canonical sequence of protein or nucleic acid polymer in standard + * one-letter codes of amino acids or nucleotides, + * corresponding to the sequence in + * _entity_poly.pdbx_seq_one_letter_code. Non-standard + * amino acids/nucleotides are represented by the codes of + * their parents if parent is specified in + * _chem_comp.mon_nstd_parent_comp_id, or by letter 'X' if + * parent is not specified. Deoxynucleotides are + * represented by their canonical one-letter codes of A, + * C, G, or T. * - * A for alanine or adenine - * B for ambiguous asparagine/aspartic-acid - * R for arginine - * N for asparagine - * D for aspartic-acid - * C for cysteine or cystine or cytosine - * Q for glutamine - * E for glutamic-acid - * Z for ambiguous glutamine/glutamic acid - * G for glycine or guanine - * H for histidine - * I for isoleucine - * L for leucine - * K for lysine - * M for methionine - * F for phenylalanine - * P for proline - * S for serine - * T for threonine or thymine - * W for tryptophan - * Y for tyrosine - * V for valine - * U for uracil + * For modifications with several parent amino acids, + * all corresponding parent amino acid codes will be listed + * (ex. chromophores). * @return StrColumn */ public StrColumn getPdbxSeqOneLetterCodeCan() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/EntityPolySeq.java b/src/main/java/org/rcsb/cif/schema/mm/EntityPolySeq.java index dbd4a8905..25865e539 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/EntityPolySeq.java +++ b/src/main/java/org/rcsb/cif/schema/mm/EntityPolySeq.java @@ -36,8 +36,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * This data item is a pointer to _entity_poly.entity_id in the - * ENTITY_POLY category. + * This data item is a pointer to _entity.id in the ENTITY category. * @return StrColumn */ public StrColumn getEntityId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/Entry.java b/src/main/java/org/rcsb/cif/schema/mm/Entry.java index 51d259f1e..d00dd342b 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Entry.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Entry.java @@ -24,6 +24,8 @@ protected Column createDelegate(String columnName, Column column) { return getId(); case "pdbx_DOI": return getPdbxDOI(); + case "ma_collection_id": + return getMaCollectionId(); default: return new DelegatingColumn(column); } @@ -49,4 +51,12 @@ public StrColumn getPdbxDOI() { return delegate.getColumn("pdbx_DOI", DelegatingStrColumn::new); } + /** + * An identifier for the model collection associated with the entry. + * @return StrColumn + */ + public StrColumn getMaCollectionId() { + return delegate.getColumn("ma_collection_id", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ExptlCrystal.java b/src/main/java/org/rcsb/cif/schema/mm/ExptlCrystal.java index 3fa023a53..2415c71e9 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/ExptlCrystal.java +++ b/src/main/java/org/rcsb/cif/schema/mm/ExptlCrystal.java @@ -91,6 +91,12 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxCrystalDirection2(); case "pdbx_crystal_direction_3": return getPdbxCrystalDirection3(); + case "pdbx_mosaic_method": + return getPdbxMosaicMethod(); + case "pdbx_mosaic_block_size": + return getPdbxMosaicBlockSize(); + case "pdbx_mosaic_block_size_esd": + return getPdbxMosaicBlockSizeEsd(); default: return new DelegatingColumn(column); } @@ -406,9 +412,19 @@ public StrColumn getPdbxCrystalImageFormat() { } /** - * The of the distribution of mis-orientation angles specified in degrees - * of all the unit cells in the crystal. Lower mosaicity indicates better - * ordered crystals. + * Isotropic approximation of the distribution of mis-orientation angles + * specified in degrees of all the mosaic domain blocks in the crystal, + * represented as a standard deviation. Here, a mosaic block is a set of + * contiguous unit cells assumed to be perfectly aligned. Lower mosaicity + * indicates better ordered crystals. See for example: + * + * Nave, C. (1998). Acta Cryst. D54, 848-853. + * + * Note that many software packages estimate the mosaic rotation distribution + * differently and may combine several physical properties of the experiment + * into a single mosaic term. This term will help fit the modeled spots + * to the observed spots without necessarily being directly related to the + * physics of the crystal itself. * @return FloatColumn */ public FloatColumn getPdbxMosaicity() { @@ -489,4 +505,40 @@ public FloatColumn getPdbxCrystalDirection3() { return delegate.getColumn("pdbx_crystal_direction_3", DelegatingFloatColumn::new); } + /** + * How parameters derived from the spot shape (such as mosaic block + * size and rotation, beam divergence, and crossfire) and their + * errors were estimated. See the related items section. + * + * This can be a written description or a citation to a specific + * software package that determined these parameters. + * + * Note, these parameters are considered derived terms from the + * data, as opposed to measured terms from the instrument (such + * as diffrn_radiation.div_x_source, a term similar to + * pdbx_crystal_alignment.crossfire_x). + * @return StrColumn + */ + public StrColumn getPdbxMosaicMethod() { + return delegate.getColumn("pdbx_mosaic_method", DelegatingStrColumn::new); + } + + /** + * Isotropic and resolution-independent term representing the average size of + * mosaic domains in the crystal specified in Angstroms. Larger size indicates + * better ordered crystals. + * @return FloatColumn + */ + public FloatColumn getPdbxMosaicBlockSize() { + return delegate.getColumn("pdbx_mosaic_block_size", DelegatingFloatColumn::new); + } + + /** + * The uncertainty in the mosaic block size estimate for the crystal. + * @return FloatColumn + */ + public FloatColumn getPdbxMosaicBlockSizeEsd() { + return delegate.getColumn("pdbx_mosaic_block_size_esd", DelegatingFloatColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ExptlCrystalGrow.java b/src/main/java/org/rcsb/cif/schema/mm/ExptlCrystalGrow.java index e2c9a8cf1..b1e358f1b 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/ExptlCrystalGrow.java +++ b/src/main/java/org/rcsb/cif/schema/mm/ExptlCrystalGrow.java @@ -40,8 +40,6 @@ protected Column createDelegate(String columnName, Column column) { return getSeeding(); case "seeding_ref": return getSeedingRef(); - case "temp": - return getTemp(); case "temp_details": return getTempDetails(); case "temp_esd": @@ -52,6 +50,8 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxDetails(); case "pdbx_pH_range": return getPdbxPHRange(); + case "temp": + return getTemp(); default: return new DelegatingColumn(column); } @@ -155,18 +155,6 @@ public StrColumn getSeedingRef() { return delegate.getColumn("seeding_ref", DelegatingStrColumn::new); } - /** - * The temperature in kelvins at which the crystal was grown. - * If more than one temperature was employed during the - * crystallization process, the final temperature should be noted - * here and the protocol involving multiple temperatures should be - * described in _exptl_crystal_grow.details. - * @return FloatColumn - */ - public FloatColumn getTemp() { - return delegate.getColumn("temp", DelegatingFloatColumn::new); - } - /** * A description of special aspects of temperature control during * crystal growth. @@ -211,4 +199,16 @@ public StrColumn getPdbxPHRange() { return delegate.getColumn("pdbx_pH_range", DelegatingStrColumn::new); } + /** + * The temperature in kelvins at which the crystal was grown. + * If more than one temperature was employed during the + * crystallization process, the final temperature should be noted + * here and the protocol involving multiple temperatures should be + * described in _exptl_crystal_grow.details. + * @return FloatColumn + */ + public FloatColumn getTemp() { + return delegate.getColumn("temp", DelegatingFloatColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmCrossLinkResult.java b/src/main/java/org/rcsb/cif/schema/mm/IhmCrossLinkResult.java index 7ee68ac38..70a6f9492 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/IhmCrossLinkResult.java +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmCrossLinkResult.java @@ -26,6 +26,8 @@ protected Column createDelegate(String columnName, Column column) { return getEnsembleId(); case "num_models": return getNumModels(); + case "model_group_id": + return getModelGroupId(); case "distance_threshold": return getDistanceThreshold(); case "median_distance": @@ -74,6 +76,16 @@ public IntColumn getNumModels() { return delegate.getColumn("num_models", DelegatingIntColumn::new); } + /** + * An identifier for the group of structure models whose results are described. + * This data item is a pointer to _ihm_model_group.id in the + * IHM_MODEL_GROUP category. + * @return IntColumn + */ + public IntColumn getModelGroupId() { + return delegate.getColumn("model_group_id", DelegatingIntColumn::new); + } + /** * The distance threshold applied to this crosslink in the integrative modeling task. * @return FloatColumn diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmEnsembleInfo.java b/src/main/java/org/rcsb/cif/schema/mm/IhmEnsembleInfo.java index 0c85172da..8ec5d25f5 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/IhmEnsembleInfo.java +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmEnsembleInfo.java @@ -27,6 +27,8 @@ protected Column createDelegate(String columnName, Column column) { return getPostProcessId(); case "model_group_id": return getModelGroupId(); + case "model_group_superimposed_flag": + return getModelGroupSuperimposedFlag(); case "ensemble_clustering_method": return getEnsembleClusteringMethod(); case "ensemble_clustering_feature": @@ -86,6 +88,14 @@ public IntColumn getModelGroupId() { return delegate.getColumn("model_group_id", DelegatingIntColumn::new); } + /** + * Flag to identify if the models in a group or cluster are structurally aligned. + * @return StrColumn + */ + public StrColumn getModelGroupSuperimposedFlag() { + return delegate.getColumn("model_group_superimposed_flag", DelegatingStrColumn::new); + } + /** * The clustering method used to obtain the ensemble, if applicable. * @return StrColumn diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmEntryCollection.java b/src/main/java/org/rcsb/cif/schema/mm/IhmEntryCollection.java new file mode 100644 index 000000000..b01821eaf --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmEntryCollection.java @@ -0,0 +1,56 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the IHM_ENTRY_COLLECTION category identify a + * collection of IHM entries belonging to a single deposition or group. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class IhmEntryCollection extends DelegatingCategory { + public IhmEntryCollection(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "name": + return getName(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the entry collection assigned by the archive. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * Name for the entry collection. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + + /** + * Details about the entry collection. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmEntryCollectionMapping.java b/src/main/java/org/rcsb/cif/schema/mm/IhmEntryCollectionMapping.java new file mode 100644 index 000000000..145cc5106 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmEntryCollectionMapping.java @@ -0,0 +1,50 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the IHM_ENTRY_COLLECTION_MAPPING category identify the + * entries that belong to a collection. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class IhmEntryCollectionMapping extends DelegatingCategory { + public IhmEntryCollectionMapping(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "collection_id": + return getCollectionId(); + case "entry_id": + return getEntryId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * Identifier for the entry collection. + * This data item is a pointer to _ihm_entry_collection.id in the + * IHM_ENTRY_COLLECTION category. + * @return StrColumn + */ + public StrColumn getCollectionId() { + return delegate.getColumn("collection_id", DelegatingStrColumn::new); + } + + /** + * Identifier for the entry. + * This data item is a pointer to _entry.id in the + * ENTRY category. + * @return StrColumn + */ + public StrColumn getEntryId() { + return delegate.getColumn("entry_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmKineticRate.java b/src/main/java/org/rcsb/cif/schema/mm/IhmKineticRate.java new file mode 100644 index 000000000..e31050a70 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmKineticRate.java @@ -0,0 +1,124 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the IHM_KINETIC_RATE category records the + * details of kinetic rates obtained from biophysical experiments. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class IhmKineticRate extends DelegatingCategory { + public IhmKineticRate(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "transition_rate_constant": + return getTransitionRateConstant(); + case "equilibrium_constant": + return getEquilibriumConstant(); + case "equilibrium_constant_determination_method": + return getEquilibriumConstantDeterminationMethod(); + case "equilibrium_constant_unit": + return getEquilibriumConstantUnit(); + case "details": + return getDetails(); + case "scheme_connectivity_id": + return getSchemeConnectivityId(); + case "dataset_group_id": + return getDatasetGroupId(); + case "external_file_id": + return getExternalFileId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An identifier for the kinetic rate. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * The transition rate constant per second. + * @return FloatColumn + */ + public FloatColumn getTransitionRateConstant() { + return delegate.getColumn("transition_rate_constant", DelegatingFloatColumn::new); + } + + /** + * The equilibrium constant. + * @return FloatColumn + */ + public FloatColumn getEquilibriumConstant() { + return delegate.getColumn("equilibrium_constant", DelegatingFloatColumn::new); + } + + /** + * Method used to determine the equilibrium constant. + * @return StrColumn + */ + public StrColumn getEquilibriumConstantDeterminationMethod() { + return delegate.getColumn("equilibrium_constant_determination_method", DelegatingStrColumn::new); + } + + /** + * Unit of the equilibrium constant, if applicable. + * If the kinetics describes a conformational change, then the equilibrium constant will not have a unit. + * If however a complex is involved, then a unit may be necessary. + * @return StrColumn + */ + public StrColumn getEquilibriumConstantUnit() { + return delegate.getColumn("equilibrium_constant_unit", DelegatingStrColumn::new); + } + + /** + * Additional details about the kinetic rate. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * Identifier for the multi-state scheme connectivity. + * This data item is a pointer to _ihm_multi_state_scheme_connectivity.id in the + * IHM_MULTI_STATE_SCHEME_CONNECTIVITY category. + * @return IntColumn + */ + public IntColumn getSchemeConnectivityId() { + return delegate.getColumn("scheme_connectivity_id", DelegatingIntColumn::new); + } + + /** + * Identifier for the dataset group from which the kinetic rates are obtained. + * This data item is a pointer to _ihm_dataset_group.id in the + * IHM_DATASET_GROUP data category. + * @return IntColumn + */ + public IntColumn getDatasetGroupId() { + return delegate.getColumn("dataset_group_id", DelegatingIntColumn::new); + } + + /** + * Identifier for the external file corresponding to the kinetic rate measurement. + * This data item is a pointer to _ihm_external_files.id in the + * IHM_EXTERNAL_FILES data category. + * @return IntColumn + */ + public IntColumn getExternalFileId() { + return delegate.getColumn("external_file_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmModelGroup.java b/src/main/java/org/rcsb/cif/schema/mm/IhmModelGroup.java index 1f87b1542..18ff84897 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/IhmModelGroup.java +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmModelGroup.java @@ -7,7 +7,7 @@ /** * IHM_MODEL_GROUP category defines collections or groups of integrative - * structural models. + * structure models. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class IhmModelGroup extends DelegatingCategory { diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmModelGroupLink.java b/src/main/java/org/rcsb/cif/schema/mm/IhmModelGroupLink.java index a4d5c3cee..77d2f34c3 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/IhmModelGroupLink.java +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmModelGroupLink.java @@ -6,8 +6,8 @@ import javax.annotation.Generated; /** - * IHM_MODEL_GROUP_LINK category provides the list of models present in - * a particular model group. + * IHM_MODEL_GROUP_LINK category provides the list of structure models present in + * a particular structure model group. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class IhmModelGroupLink extends DelegatingCategory { diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmModelList.java b/src/main/java/org/rcsb/cif/schema/mm/IhmModelList.java index 558e0a514..603d632c5 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/IhmModelList.java +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmModelList.java @@ -7,7 +7,7 @@ /** * Data items in the IHM_MODEL_LIST category record the - * details of the models being deposited. + * details of the structure models being deposited. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class IhmModelList extends DelegatingCategory { diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmModelRepresentative.java b/src/main/java/org/rcsb/cif/schema/mm/IhmModelRepresentative.java index 4cac00468..418b3e60a 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/IhmModelRepresentative.java +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmModelRepresentative.java @@ -7,7 +7,7 @@ /** * Data items in the IHM_MODEL_REPRESENTATIVE category record the - * details of the representative model in an ensemble or cluster. + * details of the representative structure model in an ensemble or cluster. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class IhmModelRepresentative extends DelegatingCategory { diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmMultiStateScheme.java b/src/main/java/org/rcsb/cif/schema/mm/IhmMultiStateScheme.java new file mode 100644 index 000000000..de0580471 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmMultiStateScheme.java @@ -0,0 +1,56 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the IHM_MULTI_STATE_SCHEME category provide details about + * collection of multiple states that can form a connected/ordered scheme. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class IhmMultiStateScheme extends DelegatingCategory { + public IhmMultiStateScheme(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "name": + return getName(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * Name for the multi-state scheme. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + + /** + * Details about the multi-state scheme. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmMultiStateSchemeConnectivity.java b/src/main/java/org/rcsb/cif/schema/mm/IhmMultiStateSchemeConnectivity.java new file mode 100644 index 000000000..13b085b0a --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmMultiStateSchemeConnectivity.java @@ -0,0 +1,94 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the IHM_MULTI_STATE_SCHEME_CONNECTIVITY category record the + * details of the ordered connectivities among states in a multi-state scheme. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class IhmMultiStateSchemeConnectivity extends DelegatingCategory { + public IhmMultiStateSchemeConnectivity(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "scheme_id": + return getSchemeId(); + case "begin_state_id": + return getBeginStateId(); + case "end_state_id": + return getEndStateId(); + case "dataset_group_id": + return getDatasetGroupId(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * An identifier for the multi-state scheme. + * This data item is a pointer to _ihm_multi_state_scheme.id in the + * IHM_MULTI_STATE_SCHEME data category. + * @return IntColumn + */ + public IntColumn getSchemeId() { + return delegate.getColumn("scheme_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the starting state in the multi-state scheme. + * This data item is a pointer to _ihm_multi_state_modeling.state_id + * in the IHM_MULTI_STATE_MODELING data category. + * @return IntColumn + */ + public IntColumn getBeginStateId() { + return delegate.getColumn("begin_state_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the ending state in the multi-state scheme. + * This data item is a pointer to _ihm_multi_state_modeling.state_id + * in the IHM_MULTI_STATE_MODELING data category. + * @return IntColumn + */ + public IntColumn getEndStateId() { + return delegate.getColumn("end_state_id", DelegatingIntColumn::new); + } + + /** + * Identifier for the dataset group from which the multi state scheme is obtained. + * This data item is a pointer to _ihm_dataset_group.id in the + * IHM_DATASET_GROUP data category. + * @return IntColumn + */ + public IntColumn getDatasetGroupId() { + return delegate.getColumn("dataset_group_id", DelegatingIntColumn::new); + } + + /** + * Details about the multi-state scheme connectivity. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmOrderedEnsemble.java b/src/main/java/org/rcsb/cif/schema/mm/IhmOrderedEnsemble.java index 16c355527..1f2c5a85c 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/IhmOrderedEnsemble.java +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmOrderedEnsemble.java @@ -10,6 +10,7 @@ * details of the ensembles ordered by time or other order. * Ordered ensembles are described as directed graphs with * edges between nodes representing models or model groups. + * This category will be deprecated and superseded by ihm_ordered_model. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class IhmOrderedEnsemble extends DelegatingCategory { diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmOrderedModel.java b/src/main/java/org/rcsb/cif/schema/mm/IhmOrderedModel.java new file mode 100644 index 000000000..97e5dedf6 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmOrderedModel.java @@ -0,0 +1,125 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the IHM_ORDERED_MODEL category records the + * details of the models ordered by time or other order. + * Ordered models are described as directed graphs with + * edges between nodes representing model groups. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class IhmOrderedModel extends DelegatingCategory { + public IhmOrderedModel(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "process_id": + return getProcessId(); + case "process_description": + return getProcessDescription(); + case "edge_id": + return getEdgeId(); + case "edge_description": + return getEdgeDescription(); + case "step_id": + return getStepId(); + case "step_description": + return getStepDescription(); + case "ordered_by": + return getOrderedBy(); + case "model_group_id_begin": + return getModelGroupIdBegin(); + case "model_group_id_end": + return getModelGroupIdEnd(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An identifier for the ordered process. + * Forms the category key together with _ihm_ordered_model.edge_id. + * @return IntColumn + */ + public IntColumn getProcessId() { + return delegate.getColumn("process_id", DelegatingIntColumn::new); + } + + /** + * Description of the ordered process. + * @return StrColumn + */ + public StrColumn getProcessDescription() { + return delegate.getColumn("process_description", DelegatingStrColumn::new); + } + + /** + * An identifier that describes an edge in a directed graph, which + * represents the ordered model. + * Forms the category key together with _ihm_ordered_model.process_id. + * @return IntColumn + */ + public IntColumn getEdgeId() { + return delegate.getColumn("edge_id", DelegatingIntColumn::new); + } + + /** + * Description of the edge. + * @return StrColumn + */ + public StrColumn getEdgeDescription() { + return delegate.getColumn("edge_description", DelegatingStrColumn::new); + } + + /** + * Identifier for a particular step in the ordered process. + * @return IntColumn + */ + public IntColumn getStepId() { + return delegate.getColumn("step_id", DelegatingIntColumn::new); + } + + /** + * Description of the step. + * @return StrColumn + */ + public StrColumn getStepDescription() { + return delegate.getColumn("step_description", DelegatingStrColumn::new); + } + + /** + * The parameter based on which the ordering is carried out. + * @return StrColumn + */ + public StrColumn getOrderedBy() { + return delegate.getColumn("ordered_by", DelegatingStrColumn::new); + } + + /** + * The model group id corresponding to the node at the origin of directed edge. + * This data item is a pointer to _ihm_model_group.id in the + * IHM_MODEL_GROUP category. + * @return IntColumn + */ + public IntColumn getModelGroupIdBegin() { + return delegate.getColumn("model_group_id_begin", DelegatingIntColumn::new); + } + + /** + * The model group id corresponding to the node at the end of the directed edge. + * This data item is a pointer to _ihm_model_group.id in the + * IHM_MODEL_GROUP category. + * @return IntColumn + */ + public IntColumn getModelGroupIdEnd() { + return delegate.getColumn("model_group_id_end", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmRelaxationTime.java b/src/main/java/org/rcsb/cif/schema/mm/IhmRelaxationTime.java new file mode 100644 index 000000000..e045d3f77 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmRelaxationTime.java @@ -0,0 +1,100 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the IHM_RELAXATION_TIME category records the details + * of the relaxation times obtained from biophysical experiments. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class IhmRelaxationTime extends DelegatingCategory { + public IhmRelaxationTime(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "value": + return getValue(); + case "unit": + return getUnit(); + case "amplitude": + return getAmplitude(); + case "dataset_group_id": + return getDatasetGroupId(); + case "external_file_id": + return getExternalFileId(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the relaxation time. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * Relaxation time value. + * @return FloatColumn + */ + public FloatColumn getValue() { + return delegate.getColumn("value", DelegatingFloatColumn::new); + } + + /** + * Relaxation time unit. + * @return StrColumn + */ + public StrColumn getUnit() { + return delegate.getColumn("unit", DelegatingStrColumn::new); + } + + /** + * Relaxation time amplitude. + * @return FloatColumn + */ + public FloatColumn getAmplitude() { + return delegate.getColumn("amplitude", DelegatingFloatColumn::new); + } + + /** + * Identifier for the dataset group from which the relaxation time is obtained. + * This data item is a pointer to _ihm_dataset_group.id in the + * IHM_DATASET_GROUP data category. + * @return IntColumn + */ + public IntColumn getDatasetGroupId() { + return delegate.getColumn("dataset_group_id", DelegatingIntColumn::new); + } + + /** + * Identifier for the external file corresponding to the relaxation time measurement. + * This data item is a pointer to _ihm_external_files.id in the + * IHM_EXTERNAL_FILES data category. + * @return IntColumn + */ + public IntColumn getExternalFileId() { + return delegate.getColumn("external_file_id", DelegatingIntColumn::new); + } + + /** + * Additional details regarding the relaxation time. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/IhmRelaxationTimeMultiStateScheme.java b/src/main/java/org/rcsb/cif/schema/mm/IhmRelaxationTimeMultiStateScheme.java new file mode 100644 index 000000000..6eab6c9c2 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/IhmRelaxationTimeMultiStateScheme.java @@ -0,0 +1,82 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the IHM_RELAXATION_TIME_MULTI_STATE_SCHEME category map the experimentally + * measured relaxation times with the multi-state schemes. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class IhmRelaxationTimeMultiStateScheme extends DelegatingCategory { + public IhmRelaxationTimeMultiStateScheme(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "relaxation_time_id": + return getRelaxationTimeId(); + case "scheme_id": + return getSchemeId(); + case "scheme_connectivity_id": + return getSchemeConnectivityId(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * Identifier for the relaxation_time. + * This data item is a pointer to _ihm_relaxation_time.id in the + * IHM_RELAXATION_TIME data category. + * @return IntColumn + */ + public IntColumn getRelaxationTimeId() { + return delegate.getColumn("relaxation_time_id", DelegatingIntColumn::new); + } + + /** + * Identifier for the multi-state scheme. + * This data item is a pointer to _ihm_multi_state_scheme.id in the + * IHM_MULTI_STATE_SCHEME data category. + * @return IntColumn + */ + public IntColumn getSchemeId() { + return delegate.getColumn("scheme_id", DelegatingIntColumn::new); + } + + /** + * Identifier for the multi-state scheme connectivity. + * This data item is a pointer to _ihm_multi_state_scheme_connectivity.id in the + * IHM_MULTI_STATE_SCHEME_CONNECTIVITY data category. + * @return IntColumn + */ + public IntColumn getSchemeConnectivityId() { + return delegate.getColumn("scheme_connectivity_id", DelegatingIntColumn::new); + } + + /** + * Additional details about the relaxation time measurement. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaAlignment.java b/src/main/java/org/rcsb/cif/schema/mm/MaAlignment.java new file mode 100644 index 000000000..d7ce5d87b --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaAlignment.java @@ -0,0 +1,72 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ALIGMNENT category record details about + * the relationship between the sequences of the target and the + * structural template obtained through multiple sequence alignment + * methods. Alignments can be fully gapped or partial. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaAlignment extends DelegatingCategory { + public MaAlignment(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "alignment_id": + return getAlignmentId(); + case "target_template_flag": + return getTargetTemplateFlag(); + case "sequence": + return getSequence(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for this record. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the alignment. + * This data item is a pointer to _ma_alignment_details.alignment_id + * in the MA_ALIGNMENT_DETAILS category. + * @return IntColumn + */ + public IntColumn getAlignmentId() { + return delegate.getColumn("alignment_id", DelegatingIntColumn::new); + } + + /** + * A flag to indicate whether the sequence corresponds to the target or a template. + * @return StrColumn + */ + public StrColumn getTargetTemplateFlag() { + return delegate.getColumn("target_template_flag", DelegatingStrColumn::new); + } + + /** + * The target / template sequence in the multiple sequence alignment. + * The sequence includes gaps and is reproduced as observed in the multiple sequence alignment. + * The sequence can span multiple lines and can be expressed as a string of one-letter codes. + * @return StrColumn + */ + public StrColumn getSequence() { + return delegate.getColumn("sequence", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaAlignmentDetails.java b/src/main/java/org/rcsb/cif/schema/mm/MaAlignmentDetails.java new file mode 100644 index 000000000..007163789 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaAlignmentDetails.java @@ -0,0 +1,132 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ALIGNMENT_DETAILS category record + * details of the target-template pairwise and multiple sequence + * alignments used in the homology/comparative modeling. + * The actual alignments are captured in the MA_ALIGNMENT category. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaAlignmentDetails extends DelegatingCategory { + public MaAlignmentDetails(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "alignment_id": + return getAlignmentId(); + case "template_segment_id": + return getTemplateSegmentId(); + case "target_asym_id": + return getTargetAsymId(); + case "score_type": + return getScoreType(); + case "score_type_other_details": + return getScoreTypeOtherDetails(); + case "score_value": + return getScoreValue(); + case "percent_sequence_identity": + return getPercentSequenceIdentity(); + case "sequence_identity_denominator": + return getSequenceIdentityDenominator(); + case "sequence_identity_denominator_other_details": + return getSequenceIdentityDenominatorOtherDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for this record. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the alignment. + * This data item is a pointer to _ma_alignment_info.alignment_id + * in the MA_ALIGNMENT_INFO category. + * @return IntColumn + */ + public IntColumn getAlignmentId() { + return delegate.getColumn("alignment_id", DelegatingIntColumn::new); + } + + /** + * The template segment identifier. This data item is a pointer to + * _ma_template_poly_segment.id in the MA_TEMPLATE_POLY_SEGMENT category. + * @return IntColumn + */ + public IntColumn getTemplateSegmentId() { + return delegate.getColumn("template_segment_id", DelegatingIntColumn::new); + } + + /** + * The target instance identifier. This data item is a pointer to + * _ma_target_entity_instance.asym_id in the MA_TARGET_ENTITY_INSTANCE category. + * @return StrColumn + */ + public StrColumn getTargetAsymId() { + return delegate.getColumn("target_asym_id", DelegatingStrColumn::new); + } + + /** + * The alignment score type. + * @return StrColumn + */ + public StrColumn getScoreType() { + return delegate.getColumn("score_type", DelegatingStrColumn::new); + } + + /** + * Details for other score types. + * @return StrColumn + */ + public StrColumn getScoreTypeOtherDetails() { + return delegate.getColumn("score_type_other_details", DelegatingStrColumn::new); + } + + /** + * The alignment score value. + * @return FloatColumn + */ + public FloatColumn getScoreValue() { + return delegate.getColumn("score_value", DelegatingFloatColumn::new); + } + + /** + * The percent sequence identity between the template sequence and the target sequence being modeled. + * @return FloatColumn + */ + public FloatColumn getPercentSequenceIdentity() { + return delegate.getColumn("percent_sequence_identity", DelegatingFloatColumn::new); + } + + /** + * The denominator used while calculating sequence identity. + * @return StrColumn + */ + public StrColumn getSequenceIdentityDenominator() { + return delegate.getColumn("sequence_identity_denominator", DelegatingStrColumn::new); + } + + /** + * Details for other sequence identity denominators. + * @return StrColumn + */ + public StrColumn getSequenceIdentityDenominatorOtherDetails() { + return delegate.getColumn("sequence_identity_denominator_other_details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaAlignmentInfo.java b/src/main/java/org/rcsb/cif/schema/mm/MaAlignmentInfo.java new file mode 100644 index 000000000..887520329 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaAlignmentInfo.java @@ -0,0 +1,102 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ALIGNMENT_INFO category record + * list of target-template alignments (pairwise as well as + * multiple-sequence alignments) used in the homology/comparative modeling. + * Additional details are included in the MA_ALIGNMENT_DETAILS category + * and the actual alignments are captured in the MA_ALIGNMENT category. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaAlignmentInfo extends DelegatingCategory { + public MaAlignmentInfo(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "alignment_id": + return getAlignmentId(); + case "data_id": + return getDataId(); + case "software_group_id": + return getSoftwareGroupId(); + case "alignment_length": + return getAlignmentLength(); + case "alignment_type": + return getAlignmentType(); + case "alignment_type_other_details": + return getAlignmentTypeOtherDetails(); + case "alignment_mode": + return getAlignmentMode(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the alignment. + * @return IntColumn + */ + public IntColumn getAlignmentId() { + return delegate.getColumn("alignment_id", DelegatingIntColumn::new); + } + + /** + * The data_id identifier. This data item is a pointer to + * _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + + /** + * Identifier to the set of software used to obtaine the multiple sequence alignment. + * This data item is a pointer to the _ma_software_group.group_id in the + * MA_SOFTWARE_GROUP category. + * @return IntColumn + */ + public IntColumn getSoftwareGroupId() { + return delegate.getColumn("software_group_id", DelegatingIntColumn::new); + } + + /** + * The total length of the alignment including gaps. + * @return IntColumn + */ + public IntColumn getAlignmentLength() { + return delegate.getColumn("alignment_length", DelegatingIntColumn::new); + } + + /** + * The alignment type. + * @return StrColumn + */ + public StrColumn getAlignmentType() { + return delegate.getColumn("alignment_type", DelegatingStrColumn::new); + } + + /** + * Details for other alignment types. + * @return StrColumn + */ + public StrColumn getAlignmentTypeOtherDetails() { + return delegate.getColumn("alignment_type_other_details", DelegatingStrColumn::new); + } + + /** + * The alignment mode. + * @return StrColumn + */ + public StrColumn getAlignmentMode() { + return delegate.getColumn("alignment_mode", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaAngleRestraints.java b/src/main/java/org/rcsb/cif/schema/mm/MaAngleRestraints.java new file mode 100644 index 000000000..2a0cb5dc7 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaAngleRestraints.java @@ -0,0 +1,291 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ANGLE_RESTRAINTS category captures the + * details of angle restraints between atoms. Each angle is spanned + * from atom one to atom three. Each atom defining the angle can be + * part of any entity present and does not originate in the same + * entity. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaAngleRestraints extends DelegatingCategory { + public MaAngleRestraints(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "restraint_id": + return getRestraintId(); + case "entity_id_1": + return getEntityId1(); + case "entity_id_2": + return getEntityId2(); + case "entity_id_3": + return getEntityId3(); + case "asym_id_1": + return getAsymId1(); + case "asym_id_2": + return getAsymId2(); + case "asym_id_3": + return getAsymId3(); + case "comp_id_1": + return getCompId1(); + case "comp_id_2": + return getCompId2(); + case "comp_id_3": + return getCompId3(); + case "seq_id_1": + return getSeqId1(); + case "seq_id_2": + return getSeqId2(); + case "seq_id_3": + return getSeqId3(); + case "atom_id_1": + return getAtomId1(); + case "atom_id_2": + return getAtomId2(); + case "atom_id_3": + return getAtomId3(); + case "lower_limit": + return getLowerLimit(); + case "upper_limit": + return getUpperLimit(); + case "lower_limit_esd": + return getLowerLimitEsd(); + case "upper_limit_esd": + return getUpperLimitEsd(); + case "probability": + return getProbability(); + case "restraint_type": + return getRestraintType(); + case "name": + return getName(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the angle restraint record. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier pointing to the _ma_restraints.restraint_id in the MA_RESTRAINTS category. + * @return IntColumn + */ + public IntColumn getRestraintId() { + return delegate.getColumn("restraint_id", DelegatingIntColumn::new); + } + + /** + * The entity identifier for the first partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId1() { + return delegate.getColumn("entity_id_1", DelegatingStrColumn::new); + } + + /** + * The entity identifier for the second partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId2() { + return delegate.getColumn("entity_id_2", DelegatingStrColumn::new); + } + + /** + * The entity identifier for the third partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId3() { + return delegate.getColumn("entity_id_3", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the first partner in the angle restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId1() { + return delegate.getColumn("asym_id_1", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the second partner in the angle restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId2() { + return delegate.getColumn("asym_id_2", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the third partner in the angle restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId3() { + return delegate.getColumn("asym_id_3", DelegatingStrColumn::new); + } + + /** + * The component identifier for the first partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId1() { + return delegate.getColumn("comp_id_1", DelegatingStrColumn::new); + } + + /** + * The component identifier for the second partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId2() { + return delegate.getColumn("comp_id_2", DelegatingStrColumn::new); + } + + /** + * The component identifier for the third partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId3() { + return delegate.getColumn("comp_id_3", DelegatingStrColumn::new); + } + + /** + * The sequence index for the first partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId1() { + return delegate.getColumn("seq_id_1", DelegatingIntColumn::new); + } + + /** + * The sequence index for the second partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId2() { + return delegate.getColumn("seq_id_2", DelegatingIntColumn::new); + } + + /** + * The sequence index for the third partner in the angle restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId3() { + return delegate.getColumn("seq_id_3", DelegatingIntColumn::new); + } + + /** + * Atom identifier for the first partner in the angle restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId1() { + return delegate.getColumn("atom_id_1", DelegatingStrColumn::new); + } + + /** + * Atom identifier for the second partner in the angle restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId2() { + return delegate.getColumn("atom_id_2", DelegatingStrColumn::new); + } + + /** + * Atom identifier for the third partner in the angle restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId3() { + return delegate.getColumn("atom_id_3", DelegatingStrColumn::new); + } + + /** + * The lower limit of the angle threshold. + * @return FloatColumn + */ + public FloatColumn getLowerLimit() { + return delegate.getColumn("lower_limit", DelegatingFloatColumn::new); + } + + /** + * The upper limit of the angle threshold. + * @return FloatColumn + */ + public FloatColumn getUpperLimit() { + return delegate.getColumn("upper_limit", DelegatingFloatColumn::new); + } + + /** + * The estimated standard deviation of the lower limit applied to this angle restraint. + * @return FloatColumn + */ + public FloatColumn getLowerLimitEsd() { + return delegate.getColumn("lower_limit_esd", DelegatingFloatColumn::new); + } + + /** + * The estimated standard deviation of the upper limit applied to this angle restraint. + * @return FloatColumn + */ + public FloatColumn getUpperLimitEsd() { + return delegate.getColumn("upper_limit_esd", DelegatingFloatColumn::new); + } + + /** + * The real number that indicates the probability that the angle restraint + * is correct. This number should fall between 0.0 and 1.0. + * @return FloatColumn + */ + public FloatColumn getProbability() { + return delegate.getColumn("probability", DelegatingFloatColumn::new); + } + + /** + * The type of restraint applied. + * @return StrColumn + */ + public StrColumn getRestraintType() { + return delegate.getColumn("restraint_type", DelegatingStrColumn::new); + } + + /** + * The angle name, if applicable. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaAssociatedArchiveFileDetails.java b/src/main/java/org/rcsb/cif/schema/mm/MaAssociatedArchiveFileDetails.java new file mode 100644 index 000000000..db7ed18f7 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaAssociatedArchiveFileDetails.java @@ -0,0 +1,103 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ASSOCIATED_ARCHIVE_FILE_DETAILS category record the + * details of files within an associated archive file (zip/gzip). These may + * be multiple sequence alignment files, restraint data files, files + * containing quality assessment scores, or validation reports. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaAssociatedArchiveFileDetails extends DelegatingCategory { + public MaAssociatedArchiveFileDetails(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "archive_file_id": + return getArchiveFileId(); + case "file_path": + return getFilePath(); + case "file_format": + return getFileFormat(); + case "file_content": + return getFileContent(); + case "description": + return getDescription(); + case "data_id": + return getDataId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * An identifier for the archive file. + * This data item is a pointer to _ma_entry_associated_files.id + * in the MA_ENTRY_ASSOCIATED_FILES category. + * @return IntColumn + */ + public IntColumn getArchiveFileId() { + return delegate.getColumn("archive_file_id", DelegatingIntColumn::new); + } + + /** + * Path to the file. + * @return StrColumn + */ + public StrColumn getFilePath() { + return delegate.getColumn("file_path", DelegatingStrColumn::new); + } + + /** + * The format of the file. + * @return StrColumn + */ + public StrColumn getFileFormat() { + return delegate.getColumn("file_format", DelegatingStrColumn::new); + } + + /** + * Content of the file. + * Note: The option "local pairwise QA scores" is deprecated in favor of + * "QA metrics" with dictionary version 1.4.7. + * @return StrColumn + */ + public StrColumn getFileContent() { + return delegate.getColumn("file_content", DelegatingStrColumn::new); + } + + /** + * Textual description about the file. + * @return StrColumn + */ + public StrColumn getDescription() { + return delegate.getColumn("description", DelegatingStrColumn::new); + } + + /** + * The data_id identifier corresponding to the associated archive file, if available. + * This data item is a pointer to _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaAtomFeature.java b/src/main/java/org/rcsb/cif/schema/mm/MaAtomFeature.java new file mode 100644 index 000000000..0a5b13e7c --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaAtomFeature.java @@ -0,0 +1,59 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ATOM_FEATURE category provides the definitions + * required to select specific atoms independent of entity type. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaAtomFeature extends DelegatingCategory { + public MaAtomFeature(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "feature_id": + return getFeatureId(); + case "atom_id": + return getAtomId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the selected atom feature. + * This data item is a pointer to _ma_feature_list.feature_id in the + * MA_FEATURE_LIST category. + * @return IntColumn + */ + public IntColumn getFeatureId() { + return delegate.getColumn("feature_id", DelegatingIntColumn::new); + } + + /** + * The identifier of the atom. + * This data item is a pointer to _atom_site.id in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getAtomId() { + return delegate.getColumn("atom_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaChemCompDescriptor.java b/src/main/java/org/rcsb/cif/schema/mm/MaChemCompDescriptor.java new file mode 100644 index 000000000..a553cbf53 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaChemCompDescriptor.java @@ -0,0 +1,101 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_CHEM_COMP_DESCRIPTOR category record the + * details of the chemical components that are defined locally + * within the mmCIF file instance. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaChemCompDescriptor extends DelegatingCategory { + public MaChemCompDescriptor(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "chem_comp_id": + return getChemCompId(); + case "chem_comp_name": + return getChemCompName(); + case "type": + return getType(); + case "value": + return getValue(); + case "software_id": + return getSoftwareId(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the chemical component. + * This data item is a pointer to _chem_comp.id + * in the CHEM_COMP category. + * @return StrColumn + */ + public StrColumn getChemCompId() { + return delegate.getColumn("chem_comp_id", DelegatingStrColumn::new); + } + + /** + * The name of the chemical component. + * @return StrColumn + */ + public StrColumn getChemCompName() { + return delegate.getColumn("chem_comp_name", DelegatingStrColumn::new); + } + + /** + * The type of descriptor for the chemical component. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * The value of the descriptor identified in _ma_chem_comp_descriptor.type. + * @return StrColumn + */ + public StrColumn getValue() { + return delegate.getColumn("value", DelegatingStrColumn::new); + } + + /** + * Identifier for the software used to generate the chemical descriptor defined in + * _ma_chem_comp_descriptor.type and _ma_chem_comp_descriptor.value. + * This data item is a pointer to _software.pdbx_ordinal in the SOFTWARE category. + * @return IntColumn + */ + public IntColumn getSoftwareId() { + return delegate.getColumn("software_id", DelegatingIntColumn::new); + } + + /** + * Additional details about the chemical component descriptor. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionMsa.java b/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionMsa.java new file mode 100644 index 000000000..f81fd5188 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionMsa.java @@ -0,0 +1,70 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_COEVOLUTION_MSA category record details about + * the coevolution multiple sequence alignments. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaCoevolutionMsa extends DelegatingCategory { + public MaCoevolutionMsa(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "msa_id": + return getMsaId(); + case "seq_id": + return getSeqId(); + case "sequence": + return getSequence(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the coevolution MSA. + * This data item is a pointer to _ma_coevolution_msa_details.msa_id in the + * MA_COEVOLUTION_MSA_DETAILS category. + * @return IntColumn + */ + public IntColumn getMsaId() { + return delegate.getColumn("msa_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the sequence. + * This data item is a pointer to _ma_coevolution_seq_db_ref.seq_id in the + * MA_COEVOLUTION_SEQ_DB_REF category. + * @return IntColumn + */ + public IntColumn getSeqId() { + return delegate.getColumn("seq_id", DelegatingIntColumn::new); + } + + /** + * The one letter code of the polymer sequence with gaps as in the alignment. + * @return StrColumn + */ + public StrColumn getSequence() { + return delegate.getColumn("sequence", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionMsaDetails.java b/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionMsaDetails.java new file mode 100644 index 000000000..e866322ea --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionMsaDetails.java @@ -0,0 +1,110 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_COEVOLUTION_MSA_DETAILS category record details about + * the coevolution MSA used in the modeling. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaCoevolutionMsaDetails extends DelegatingCategory { + public MaCoevolutionMsaDetails(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "msa_id": + return getMsaId(); + case "target_entity_id": + return getTargetEntityId(); + case "target_sequence": + return getTargetSequence(); + case "seq_clust_db": + return getSeqClustDb(); + case "seq_clust_db_other_details": + return getSeqClustDbOtherDetails(); + case "seq_clust_db_version": + return getSeqClustDbVersion(); + case "data_id": + return getDataId(); + case "software_group_id": + return getSoftwareGroupId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An identifier for the coevolution MSA. + * @return IntColumn + */ + public IntColumn getMsaId() { + return delegate.getColumn("msa_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the target entity. + * @return StrColumn + */ + public StrColumn getTargetEntityId() { + return delegate.getColumn("target_entity_id", DelegatingStrColumn::new); + } + + /** + * The one letter code of the target sequence with gaps as in the alignment. + * @return StrColumn + */ + public StrColumn getTargetSequence() { + return delegate.getColumn("target_sequence", DelegatingStrColumn::new); + } + + /** + * The sequence cluster database used to obtain the coevolution MSA. + * @return StrColumn + */ + public StrColumn getSeqClustDb() { + return delegate.getColumn("seq_clust_db", DelegatingStrColumn::new); + } + + /** + * Other details for sequence cluster database used. + * @return StrColumn + */ + public StrColumn getSeqClustDbOtherDetails() { + return delegate.getColumn("seq_clust_db_other_details", DelegatingStrColumn::new); + } + + /** + * Version of the sequence cluster database. + * This might correspond to the release date of the database. + * @return StrColumn + */ + public StrColumn getSeqClustDbVersion() { + return delegate.getColumn("seq_clust_db_version", DelegatingStrColumn::new); + } + + /** + * The data_id identifier. This data item is a pointer to + * _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + + /** + * Identifier to the set of software used to obtain the coevolution multiple sequence alignment. + * This data item is a pointer to the _ma_software_group.group_id in the + * MA_SOFTWARE_GROUP category. + * @return IntColumn + */ + public IntColumn getSoftwareGroupId() { + return delegate.getColumn("software_group_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionSeqDbRef.java b/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionSeqDbRef.java new file mode 100644 index 000000000..d23241d9c --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaCoevolutionSeqDbRef.java @@ -0,0 +1,104 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_COEVOLUTION_SEQ_DB_REF category record details about + * the reference database identifiers for the sequences in the coevolution + * multiple sequence alignments. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaCoevolutionSeqDbRef extends DelegatingCategory { + public MaCoevolutionSeqDbRef(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "seq_id": + return getSeqId(); + case "db_name": + return getDbName(); + case "db_code": + return getDbCode(); + case "db_accession": + return getDbAccession(); + case "db_isoform": + return getDbIsoform(); + case "seq_db_align_begin": + return getSeqDbAlignBegin(); + case "seq_db_align_end": + return getSeqDbAlignEnd(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An identifier for the sequence. + * @return IntColumn + */ + public IntColumn getSeqId() { + return delegate.getColumn("seq_id", DelegatingIntColumn::new); + } + + /** + * The name of the database containing reference information about + * this sequence. + * @return StrColumn + */ + public StrColumn getDbName() { + return delegate.getColumn("db_name", DelegatingStrColumn::new); + } + + /** + * The code for this sequence in the named database. + * This can include the version number. + * @return StrColumn + */ + public StrColumn getDbCode() { + return delegate.getColumn("db_code", DelegatingStrColumn::new); + } + + /** + * Accession code assigned by the reference database. + * @return StrColumn + */ + public StrColumn getDbAccession() { + return delegate.getColumn("db_accession", DelegatingStrColumn::new); + } + + /** + * Database code assigned by the reference database for a sequence isoform. An isoform sequence is an + * alternative protein sequence that can be generated from the same gene by a single or by a combination of + * biological events such as: alternative promoter usage, alternative splicing, alternative initiation + * and ribosomal frameshifting. + * @return StrColumn + */ + public StrColumn getDbIsoform() { + return delegate.getColumn("db_isoform", DelegatingStrColumn::new); + } + + /** + * Beginning index in the chemical sequence from the + * reference database. + * @return StrColumn + */ + public StrColumn getSeqDbAlignBegin() { + return delegate.getColumn("seq_db_align_begin", DelegatingStrColumn::new); + } + + /** + * Ending index in the chemical sequence from the + * reference database. + * @return StrColumn + */ + public StrColumn getSeqDbAlignEnd() { + return delegate.getColumn("seq_db_align_end", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaData.java b/src/main/java/org/rcsb/cif/schema/mm/MaData.java new file mode 100644 index 000000000..e7420593c --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaData.java @@ -0,0 +1,67 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_DATA category capture the different kinds of + * data used in the modeling. These can be multiple sequence + * alignments, spatial restraints, template structures etc. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaData extends DelegatingCategory { + public MaData(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "content_type": + return getContentType(); + case "content_type_other_details": + return getContentTypeOtherDetails(); + case "name": + return getName(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the data. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * The type of data held in the dataset. + * @return StrColumn + */ + public StrColumn getContentType() { + return delegate.getColumn("content_type", DelegatingStrColumn::new); + } + + /** + * Details for other content types. + * @return StrColumn + */ + public StrColumn getContentTypeOtherDetails() { + return delegate.getColumn("content_type_other_details", DelegatingStrColumn::new); + } + + /** + * An author-given name for the content held in the dataset. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaDataGroup.java b/src/main/java/org/rcsb/cif/schema/mm/MaDataGroup.java new file mode 100644 index 000000000..2d96807ae --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaDataGroup.java @@ -0,0 +1,61 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_DATA_GROUP category describes the + * collection of data into groups so that they can be used + * efficiently in the MA_PROTOCOL_STEP category. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaDataGroup extends DelegatingCategory { + public MaDataGroup(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "group_id": + return getGroupId(); + case "data_id": + return getDataId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for a group of data. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the group entry. + * If data does not need to be grouped, then _ma_data_group.group_id + * is the same as _ma_data_group.data_id. + * @return IntColumn + */ + public IntColumn getGroupId() { + return delegate.getColumn("group_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the data. + * This data item is a pointer to _ma_data.id + * in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaDataRefDb.java b/src/main/java/org/rcsb/cif/schema/mm/MaDataRefDb.java new file mode 100644 index 000000000..032da8c77 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaDataRefDb.java @@ -0,0 +1,79 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_DATA_REF_DB category capture the details regarding + * reference databases used in the modeling. These include the + * sequence databases used for template search, alignments, etc. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaDataRefDb extends DelegatingCategory { + public MaDataRefDb(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "data_id": + return getDataId(); + case "name": + return getName(); + case "location_url": + return getLocationUrl(); + case "version": + return getVersion(); + case "release_date": + return getReleaseDate(); + default: + return new DelegatingColumn(column); + } + } + + /** + * Identifier for the reference database. + * This data item is a pointer to _ma_data.id + * in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + + /** + * Name of the reference database. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + + /** + * URL for the reference database. + * @return StrColumn + */ + public StrColumn getLocationUrl() { + return delegate.getColumn("location_url", DelegatingStrColumn::new); + } + + /** + * Version of the reference database. + * @return StrColumn + */ + public StrColumn getVersion() { + return delegate.getColumn("version", DelegatingStrColumn::new); + } + + /** + * Release date of the version specified in _ma_data_ref_db.version. + * @return StrColumn + */ + public StrColumn getReleaseDate() { + return delegate.getColumn("release_date", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaDihedralRestraints.java b/src/main/java/org/rcsb/cif/schema/mm/MaDihedralRestraints.java new file mode 100644 index 000000000..7d2f0f3b7 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaDihedralRestraints.java @@ -0,0 +1,356 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_DIHEDRAL_RESTRAINTS category captures the + * details of dihedral restraints between atoms. A dihedral is spanned + * sequentially from atom one to atom four. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaDihedralRestraints extends DelegatingCategory { + public MaDihedralRestraints(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "restraint_id": + return getRestraintId(); + case "entity_id_1": + return getEntityId1(); + case "entity_id_2": + return getEntityId2(); + case "entity_id_3": + return getEntityId3(); + case "entity_id_4": + return getEntityId4(); + case "asym_id_1": + return getAsymId1(); + case "asym_id_2": + return getAsymId2(); + case "asym_id_3": + return getAsymId3(); + case "asym_id_4": + return getAsymId4(); + case "comp_id_1": + return getCompId1(); + case "comp_id_2": + return getCompId2(); + case "comp_id_3": + return getCompId3(); + case "comp_id_4": + return getCompId4(); + case "seq_id_1": + return getSeqId1(); + case "seq_id_2": + return getSeqId2(); + case "seq_id_3": + return getSeqId3(); + case "seq_id_4": + return getSeqId4(); + case "atom_id_1": + return getAtomId1(); + case "atom_id_2": + return getAtomId2(); + case "atom_id_3": + return getAtomId3(); + case "atom_id_4": + return getAtomId4(); + case "uncertainty": + return getUncertainty(); + case "lower_limit": + return getLowerLimit(); + case "upper_limit": + return getUpperLimit(); + case "lower_limit_esd": + return getLowerLimitEsd(); + case "upper_limit_esd": + return getUpperLimitEsd(); + case "probability": + return getProbability(); + case "restraint_type": + return getRestraintType(); + case "name": + return getName(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the dihedral restraint record. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier pointing to the _ma_restraints.restraint_id in the MA_RESTRAINTS category. + * @return IntColumn + */ + public IntColumn getRestraintId() { + return delegate.getColumn("restraint_id", DelegatingIntColumn::new); + } + + /** + * The entity identifier for the first partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId1() { + return delegate.getColumn("entity_id_1", DelegatingStrColumn::new); + } + + /** + * The entity identifier for the second partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId2() { + return delegate.getColumn("entity_id_2", DelegatingStrColumn::new); + } + + /** + * The entity identifier for the third partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId3() { + return delegate.getColumn("entity_id_3", DelegatingStrColumn::new); + } + + /** + * The entity identifier for the fourth partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId4() { + return delegate.getColumn("entity_id_4", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the first partner in the dihedral restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId1() { + return delegate.getColumn("asym_id_1", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the second partner in the dihedral restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId2() { + return delegate.getColumn("asym_id_2", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the third partner in the dihedral restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId3() { + return delegate.getColumn("asym_id_3", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the fourth partner in the dihedral restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId4() { + return delegate.getColumn("asym_id_4", DelegatingStrColumn::new); + } + + /** + * The component identifier for the first partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId1() { + return delegate.getColumn("comp_id_1", DelegatingStrColumn::new); + } + + /** + * The component identifier for the second partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId2() { + return delegate.getColumn("comp_id_2", DelegatingStrColumn::new); + } + + /** + * The component identifier for the third partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId3() { + return delegate.getColumn("comp_id_3", DelegatingStrColumn::new); + } + + /** + * The component identifier for the fourth partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId4() { + return delegate.getColumn("comp_id_4", DelegatingStrColumn::new); + } + + /** + * The sequence index for the first partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId1() { + return delegate.getColumn("seq_id_1", DelegatingIntColumn::new); + } + + /** + * The sequence index for the second partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId2() { + return delegate.getColumn("seq_id_2", DelegatingIntColumn::new); + } + + /** + * The sequence index for the third partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId3() { + return delegate.getColumn("seq_id_3", DelegatingIntColumn::new); + } + + /** + * The sequence index for the fourth partner in the dihedral restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId4() { + return delegate.getColumn("seq_id_4", DelegatingIntColumn::new); + } + + /** + * Atom identifier for the first partner in the dihedral restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId1() { + return delegate.getColumn("atom_id_1", DelegatingStrColumn::new); + } + + /** + * Atom identifier for the second partner in the dihedral restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId2() { + return delegate.getColumn("atom_id_2", DelegatingStrColumn::new); + } + + /** + * Atom identifier for the third partner in the dihedral restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId3() { + return delegate.getColumn("atom_id_3", DelegatingStrColumn::new); + } + + /** + * Atom identifier for the fourth partner in the dihedral restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId4() { + return delegate.getColumn("atom_id_4", DelegatingStrColumn::new); + } + + /** + * The uncertainty to the dihedral threshold. + * @return FloatColumn + */ + public FloatColumn getUncertainty() { + return delegate.getColumn("uncertainty", DelegatingFloatColumn::new); + } + + /** + * The lower limit of the dihedral threshold. + * @return FloatColumn + */ + public FloatColumn getLowerLimit() { + return delegate.getColumn("lower_limit", DelegatingFloatColumn::new); + } + + /** + * The upper limit of the dihedral threshold. + * @return FloatColumn + */ + public FloatColumn getUpperLimit() { + return delegate.getColumn("upper_limit", DelegatingFloatColumn::new); + } + + /** + * The estimated standard deviation of the lower limit applied to this dihedral restraint. + * @return FloatColumn + */ + public FloatColumn getLowerLimitEsd() { + return delegate.getColumn("lower_limit_esd", DelegatingFloatColumn::new); + } + + /** + * The estimated standard deviation of the upper limit applied to this dihedral restraint. + * @return FloatColumn + */ + public FloatColumn getUpperLimitEsd() { + return delegate.getColumn("upper_limit_esd", DelegatingFloatColumn::new); + } + + /** + * The real number that indicates the probability that the dihedral restraint + * is correct. This number should fall between 0.0 and 1.0. + * @return FloatColumn + */ + public FloatColumn getProbability() { + return delegate.getColumn("probability", DelegatingFloatColumn::new); + } + + /** + * The type of restraint applied. + * @return StrColumn + */ + public StrColumn getRestraintType() { + return delegate.getColumn("restraint_type", DelegatingStrColumn::new); + } + + /** + * The dihedral angle name, if applicable. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaDistanceRestraints.java b/src/main/java/org/rcsb/cif/schema/mm/MaDistanceRestraints.java new file mode 100644 index 000000000..7a870caf6 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaDistanceRestraints.java @@ -0,0 +1,236 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_DISTANCE_RESTRAINTS category records the + * list of distance restraints used in the modeling. + * These distances can be atomic or residue-wise distances. + * This has been adapted from the widely used CASP RR format + * (http://www.predictioncenter.org/casp8/index.cgi?page=format#RR). + * These distances may be derived from various coevolution MSA or other + * exeperimental or computational methods. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaDistanceRestraints extends DelegatingCategory { + public MaDistanceRestraints(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "restraint_id": + return getRestraintId(); + case "entity_id_1": + return getEntityId1(); + case "entity_id_2": + return getEntityId2(); + case "asym_id_1": + return getAsymId1(); + case "asym_id_2": + return getAsymId2(); + case "comp_id_1": + return getCompId1(); + case "comp_id_2": + return getCompId2(); + case "seq_id_1": + return getSeqId1(); + case "seq_id_2": + return getSeqId2(); + case "atom_id_1": + return getAtomId1(); + case "atom_id_2": + return getAtomId2(); + case "lower_limit": + return getLowerLimit(); + case "upper_limit": + return getUpperLimit(); + case "lower_limit_esd": + return getLowerLimitEsd(); + case "upper_limit_esd": + return getUpperLimitEsd(); + case "probability": + return getProbability(); + case "restraint_type": + return getRestraintType(); + case "granularity": + return getGranularity(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the distance restraint record. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier pointing to the _ma_restraints.restraint_id in the MA_RESTRAINTS category. + * @return IntColumn + */ + public IntColumn getRestraintId() { + return delegate.getColumn("restraint_id", DelegatingIntColumn::new); + } + + /** + * The entity identifier for the first partner in the distance restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId1() { + return delegate.getColumn("entity_id_1", DelegatingStrColumn::new); + } + + /** + * The entity identifier for the second partner in the distance restraint. + * This data item is a pointer to _entity_poly_seq.entity_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId2() { + return delegate.getColumn("entity_id_2", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the first partner in the distance restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId1() { + return delegate.getColumn("asym_id_1", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the second partner in the distance restraint. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASY category. + * @return StrColumn + */ + public StrColumn getAsymId2() { + return delegate.getColumn("asym_id_2", DelegatingStrColumn::new); + } + + /** + * The component identifier for the first partner in the distance restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId1() { + return delegate.getColumn("comp_id_1", DelegatingStrColumn::new); + } + + /** + * The component identifier for the second partner in the distance restraint. + * This data item is a pointer to _entity_poly_seq.mon_id in the ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getCompId2() { + return delegate.getColumn("comp_id_2", DelegatingStrColumn::new); + } + + /** + * The sequence index for the first partner in the distance restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId1() { + return delegate.getColumn("seq_id_1", DelegatingIntColumn::new); + } + + /** + * The sequence index for the second partner in the distance restraint. + * This data item is a pointer to _entity_poly_seq.num in the ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId2() { + return delegate.getColumn("seq_id_2", DelegatingIntColumn::new); + } + + /** + * A atom identifier for the first partner in the distance restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId1() { + return delegate.getColumn("atom_id_1", DelegatingStrColumn::new); + } + + /** + * A atom identifier for the second partner in the distance restraint. + * This data item is a pointer to _chem_comp_atom.atom_id in the + * CHEM_COMP_ATOM category. + * @return StrColumn + */ + public StrColumn getAtomId2() { + return delegate.getColumn("atom_id_2", DelegatingStrColumn::new); + } + + /** + * The lower limit of the distance threshold. + * @return FloatColumn + */ + public FloatColumn getLowerLimit() { + return delegate.getColumn("lower_limit", DelegatingFloatColumn::new); + } + + /** + * The upper limit of the distance threshold. + * @return FloatColumn + */ + public FloatColumn getUpperLimit() { + return delegate.getColumn("upper_limit", DelegatingFloatColumn::new); + } + + /** + * The estimated standard deviation of the lower limit distance threshold applied to this distance restraint. + * @return FloatColumn + */ + public FloatColumn getLowerLimitEsd() { + return delegate.getColumn("lower_limit_esd", DelegatingFloatColumn::new); + } + + /** + * The estimated standard deviation of the upper limit distance threshold applied to this distance restraint. + * @return FloatColumn + */ + public FloatColumn getUpperLimitEsd() { + return delegate.getColumn("upper_limit_esd", DelegatingFloatColumn::new); + } + + /** + * The real number that indicates the probability that the distance restraint + * is correct. This number should fall between 0.0 and 1.0. + * @return FloatColumn + */ + public FloatColumn getProbability() { + return delegate.getColumn("probability", DelegatingFloatColumn::new); + } + + /** + * The type of distance restraint applied. + * @return StrColumn + */ + public StrColumn getRestraintType() { + return delegate.getColumn("restraint_type", DelegatingStrColumn::new); + } + + /** + * The granularity of the predicted contact as applied to the model. + * @return StrColumn + */ + public StrColumn getGranularity() { + return delegate.getColumn("granularity", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaEnergyEstimates.java b/src/main/java/org/rcsb/cif/schema/mm/MaEnergyEstimates.java new file mode 100644 index 000000000..f182a2ddb --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaEnergyEstimates.java @@ -0,0 +1,78 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ENERGY_ESTIMATES category record the details of the + * type of energy estimate calculated for the stored models. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaEnergyEstimates extends DelegatingCategory { + public MaEnergyEstimates(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "energy_type": + return getEnergyType(); + case "unit": + return getUnit(); + case "details": + return getDetails(); + case "data_id": + return getDataId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * Identifies the type of energy estimate. + * @return StrColumn + */ + public StrColumn getEnergyType() { + return delegate.getColumn("energy_type", DelegatingStrColumn::new); + } + + /** + * Identifies the unit used to provide the energy. + * @return StrColumn + */ + public StrColumn getUnit() { + return delegate.getColumn("unit", DelegatingStrColumn::new); + } + + /** + * Description with any extra information on how the energy is + * computed (e.g. for full system or only considering some subset). + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * The data_id identifier corresponding to the energy estimate, if available. + * This data item is a pointer to _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaEnergyEstimatesValue.java b/src/main/java/org/rcsb/cif/schema/mm/MaEnergyEstimatesValue.java new file mode 100644 index 000000000..8fab55ba5 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaEnergyEstimatesValue.java @@ -0,0 +1,80 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ENERGY_ESTIMATES_VALUE category record the values + * per model or feature for a given energy estimate. Additional + * data items in the MA_ENERGY_ESTIMATES can be added if needed. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaEnergyEstimatesValue extends DelegatingCategory { + public MaEnergyEstimatesValue(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "energy_estimates_id": + return getEnergyEstimatesId(); + case "model_id": + return getModelId(); + case "feature_id": + return getFeatureId(); + case "numerical_value": + return getNumericalValue(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * Identifier to the energy estimate. + * This data item is a pointer to _ma_energy_estimates.ordinal_id in the MA_ENERGY_ESTIMATES category. + * @return IntColumn + */ + public IntColumn getEnergyEstimatesId() { + return delegate.getColumn("energy_estimates_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the structural model, for which the energy estimate is provided. + * This data item is a pointer to _ma_model_list.ordinal_id in the MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the feature, for which the energy estimate is provided. + * This data item is a pointer to _ma_feature_list.feature_id in the MA_FEATURE_LIST category. + * @return IntColumn + */ + public IntColumn getFeatureId() { + return delegate.getColumn("feature_id", DelegatingIntColumn::new); + } + + /** + * Numerical value of the energy. + * @return FloatColumn + */ + public FloatColumn getNumericalValue() { + return delegate.getColumn("numerical_value", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaEntityInstanceFeature.java b/src/main/java/org/rcsb/cif/schema/mm/MaEntityInstanceFeature.java new file mode 100644 index 000000000..37341697e --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaEntityInstanceFeature.java @@ -0,0 +1,60 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ENTITY_INSTANCE_FEATURE category provides the definitions + * required to select an entity instance (asym_id) feature. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaEntityInstanceFeature extends DelegatingCategory { + public MaEntityInstanceFeature(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "feature_id": + return getFeatureId(); + case "label_asym_id": + return getLabelAsymId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the selected entity instance feature. + * This data item is a pointer to _ma_feature_list.feature_id in the + * MA_FEATURE_LIST category. + * @return IntColumn + */ + public IntColumn getFeatureId() { + return delegate.getColumn("feature_id", DelegatingIntColumn::new); + } + + /** + * An asym/strand identifier of the entity instance feature. + * This data item is a pointer to _atom_site.label_asym_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelAsymId() { + return delegate.getColumn("label_asym_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaEntryAssociatedFiles.java b/src/main/java/org/rcsb/cif/schema/mm/MaEntryAssociatedFiles.java new file mode 100644 index 000000000..b7befcbd8 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaEntryAssociatedFiles.java @@ -0,0 +1,114 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_ENTRY_ASSOCIATED_FILES category record the + * details of additional files associated with the entry. These may + * be multiple sequence alignment files, restraint data files, files + * containing quality assessment scores, or validation reports. The + * files may be listed separately or as an archive file (zip/gzip). + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaEntryAssociatedFiles extends DelegatingCategory { + public MaEntryAssociatedFiles(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "entry_id": + return getEntryId(); + case "file_type": + return getFileType(); + case "file_url": + return getFileUrl(); + case "file_format": + return getFileFormat(); + case "details": + return getDetails(); + case "file_content": + return getFileContent(); + case "data_id": + return getDataId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An identifier for the associated file. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * An identifier for the entry. + * This data item is a pointer to _entry.id + * in the ENTRY category. + * @return StrColumn + */ + public StrColumn getEntryId() { + return delegate.getColumn("entry_id", DelegatingStrColumn::new); + } + + /** + * Type of file. + * @return StrColumn + */ + public StrColumn getFileType() { + return delegate.getColumn("file_type", DelegatingStrColumn::new); + } + + /** + * URL for the file. + * @return StrColumn + */ + public StrColumn getFileUrl() { + return delegate.getColumn("file_url", DelegatingStrColumn::new); + } + + /** + * The format of the file. + * @return StrColumn + */ + public StrColumn getFileFormat() { + return delegate.getColumn("file_format", DelegatingStrColumn::new); + } + + /** + * Additional details about the file. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * Content of the file. + * Note: The option "local pairwise QA scores" is deprecated in favor of + * "QA metrics" with dictionary version 1.4.7. + * @return StrColumn + */ + public StrColumn getFileContent() { + return delegate.getColumn("file_content", DelegatingStrColumn::new); + } + + /** + * The data_id identifier corresponding to the entry associated file, if available. + * This data item is a pointer to _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaExperimentalValidation.java b/src/main/java/org/rcsb/cif/schema/mm/MaExperimentalValidation.java new file mode 100644 index 000000000..aaa3e03a9 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaExperimentalValidation.java @@ -0,0 +1,155 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_EXPERIMENTAL_VALIDATION category describe how the existence + * of the modeled system was experimentally validated, often through multiple + * complementary experiments. The aim is to provide experimental evidence supporting + * the biological plausibility of the input, such as entities forming a complex with + * a specific stoichiometry or designed proteins being able to fold. It can also include + * negative evidence (e.g. for models used to distinguish positive and negative results). + * It is not meant to capture experimental data used in modeling (e.g. via spatial restraints). + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaExperimentalValidation extends DelegatingCategory { + public MaExperimentalValidation(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "method": + return getMethod(); + case "type": + return getType(); + case "value_name": + return getValueName(); + case "value": + return getValue(); + case "value_unit": + return getValueUnit(); + case "positive_outcome": + return getPositiveOutcome(); + case "reference_type": + return getReferenceType(); + case "reference_doi": + return getReferenceDoi(); + case "reference_url": + return getReferenceUrl(); + case "details": + return getDetails(); + case "data_id": + return getDataId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * Describes the experimental technique used. + * @return StrColumn + */ + public StrColumn getMethod() { + return delegate.getColumn("method", DelegatingStrColumn::new); + } + + /** + * The type of evidence. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * The name of experimentally observed value, for example, Kd. + * @return StrColumn + */ + public StrColumn getValueName() { + return delegate.getColumn("value_name", DelegatingStrColumn::new); + } + + /** + * The value of the experimental observation. + * @return FloatColumn + */ + public FloatColumn getValue() { + return delegate.getColumn("value", DelegatingFloatColumn::new); + } + + /** + * Units for the experimental observation value. + * @return StrColumn + */ + public StrColumn getValueUnit() { + return delegate.getColumn("value_unit", DelegatingStrColumn::new); + } + + /** + * Indicates the outcome or result of a particular experimental validation. + * This entry specifies whether the validation step was successful (YES) + * or unsuccessful (NO). + * @return StrColumn + */ + public StrColumn getPositiveOutcome() { + return delegate.getColumn("positive_outcome", DelegatingStrColumn::new); + } + + /** + * The type of reference for the experimental validation. + * @return StrColumn + */ + public StrColumn getReferenceType() { + return delegate.getColumn("reference_type", DelegatingStrColumn::new); + } + + /** + * The Digital Object Identifier (DOI) for the experimental validation information. + * If available, reference_doi should be provided instead of reference_url. + * @return StrColumn + */ + public StrColumn getReferenceDoi() { + return delegate.getColumn("reference_doi", DelegatingStrColumn::new); + } + + /** + * URL linking to the experimental validation information. + * @return StrColumn + */ + public StrColumn getReferenceUrl() { + return delegate.getColumn("reference_url", DelegatingStrColumn::new); + } + + /** + * Details about the validation process and the data availability. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * The data_id identifier corresponding to the experimental validation, if available. + * This data item is a pointer to _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaFeatureList.java b/src/main/java/org/rcsb/cif/schema/mm/MaFeatureList.java new file mode 100644 index 000000000..19ef11256 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaFeatureList.java @@ -0,0 +1,67 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * MA_FEATURE_LIST is the high level category that provides definitions + * to select atoms, polymeric residues, and entity instances (asym_ids) + * from all types of entities. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaFeatureList extends DelegatingCategory { + public MaFeatureList(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "feature_id": + return getFeatureId(); + case "feature_type": + return getFeatureType(); + case "entity_type": + return getEntityType(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the feature. + * @return IntColumn + */ + public IntColumn getFeatureId() { + return delegate.getColumn("feature_id", DelegatingIntColumn::new); + } + + /** + * The type of feature. + * @return StrColumn + */ + public StrColumn getFeatureType() { + return delegate.getColumn("feature_type", DelegatingStrColumn::new); + } + + /** + * The type of entity. + * @return StrColumn + */ + public StrColumn getEntityType() { + return delegate.getColumn("entity_type", DelegatingStrColumn::new); + } + + /** + * Additional details regarding the feature. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaModelGroup.java b/src/main/java/org/rcsb/cif/schema/mm/MaModelGroup.java new file mode 100644 index 000000000..831fe37a1 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaModelGroup.java @@ -0,0 +1,66 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * MA_MODEL_GROUP category defines collections or groups of + * structure models. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaModelGroup extends DelegatingCategory { + public MaModelGroup(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "name": + return getName(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for a collection or group of structural models. + * This data item can be used to group models into structural clusters + * or using other criteria. + * A cluster of models and its representative can either be grouped together + * or can be separate groups. The choice between the two options should be + * decided based on how the modeling was carried out and how the representative + * was chosen. If the representative is a member of the ensemble + * (i.e., best scoring model), then it is recommended that the + * representative and the ensemble belong to the same model group. If the + * representative is calculated from the ensemble (i.e., centroid), then it is + * recommended that the representative be separated into a different group. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * A name for the collection of models. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + + /** + * Additional details about the collection of models. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaModelGroupLink.java b/src/main/java/org/rcsb/cif/schema/mm/MaModelGroupLink.java new file mode 100644 index 000000000..ab6d0e08c --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaModelGroupLink.java @@ -0,0 +1,50 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * MA_MODEL_GROUP_LINK category provides the list of structure models present in + * a particular structure model group. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaModelGroupLink extends DelegatingCategory { + public MaModelGroupLink(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "model_id": + return getModelId(); + case "group_id": + return getGroupId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An identifier for the structure model. + * This data item is a pointer to _ma_model_list.ordinal_id in the + * MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the structure model group. + * This data item is a pointer to _ma_model_group.id in the + * MA_MODEL_GROUP category. + * @return IntColumn + */ + public IntColumn getGroupId() { + return delegate.getColumn("group_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaModelList.java b/src/main/java/org/rcsb/cif/schema/mm/MaModelList.java new file mode 100644 index 000000000..c1265c159 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaModelList.java @@ -0,0 +1,123 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_MODEL_LIST category record the + * details of the models being deposited. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaModelList extends DelegatingCategory { + public MaModelList(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "model_id": + return getModelId(); + case "model_group_id": + return getModelGroupId(); + case "model_name": + return getModelName(); + case "model_group_name": + return getModelGroupName(); + case "assembly_id": + return getAssemblyId(); + case "model_type": + return getModelType(); + case "model_type_other_details": + return getModelTypeOtherDetails(); + case "data_id": + return getDataId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the structural model being deposited. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * A unique identifier for the structural model being deposited. + * This data item was practically a duplicate of _ma_model_list.ordinal_id + * and has been deprecated with dictionary version 1.4.7. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * An identifier to group structural models into collections or sets. + * This data item has been deprecated with dictionary version 1.4.7. + * See ma_model_group category. + * @return IntColumn + */ + public IntColumn getModelGroupId() { + return delegate.getColumn("model_group_id", DelegatingIntColumn::new); + } + + /** + * A decsriptive name for the model. + * @return StrColumn + */ + public StrColumn getModelName() { + return delegate.getColumn("model_name", DelegatingStrColumn::new); + } + + /** + * A decsriptive name for the model group. + * This data item has been deprecated with dictionary version 1.4.7. + * See ma_model_group category. + * @return StrColumn + */ + public StrColumn getModelGroupName() { + return delegate.getColumn("model_group_name", DelegatingStrColumn::new); + } + + /** + * An identifier to the structural assembly corresponding to the model. + * @return IntColumn + */ + public IntColumn getAssemblyId() { + return delegate.getColumn("assembly_id", DelegatingIntColumn::new); + } + + /** + * The type of model. + * @return StrColumn + */ + public StrColumn getModelType() { + return delegate.getColumn("model_type", DelegatingStrColumn::new); + } + + /** + * Details for other model types. + * @return StrColumn + */ + public StrColumn getModelTypeOtherDetails() { + return delegate.getColumn("model_type_other_details", DelegatingStrColumn::new); + } + + /** + * The data_id identifier. This data item is a pointer to + * _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaModelRepresentative.java b/src/main/java/org/rcsb/cif/schema/mm/MaModelRepresentative.java new file mode 100644 index 000000000..066e602ba --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaModelRepresentative.java @@ -0,0 +1,72 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_MODEL_REPRESENTATIVE category record the + * details of the representative structure model when multiple models are submitted. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaModelRepresentative extends DelegatingCategory { + public MaModelRepresentative(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "model_group_id": + return getModelGroupId(); + case "model_id": + return getModelId(); + case "selection_criteria": + return getSelectionCriteria(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the representative model in a model group. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * The model group identifier corresponding to the representative model. + * This data item is a pointer to _ma_model_group.id in the + * MA_MODEL_GROUP category. + * @return IntColumn + */ + public IntColumn getModelGroupId() { + return delegate.getColumn("model_group_id", DelegatingIntColumn::new); + } + + /** + * The model identifier corresponding to the representative model. + * This data item is a pointer to _ma_model_list.ordinal_id in the + * MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * The selection criteria based on which the representative is chosen. + * Details about the selection procedure should be described in the + * "model selection" step in ma_protocol_step. + * @return StrColumn + */ + public StrColumn getSelectionCriteria() { + return delegate.getColumn("selection_criteria", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaPolyResidueFeature.java b/src/main/java/org/rcsb/cif/schema/mm/MaPolyResidueFeature.java new file mode 100644 index 000000000..a13ca1a1b --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaPolyResidueFeature.java @@ -0,0 +1,84 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_POLY_RESIDUE_FEATURE category provides the definitions + * required to select specific polymer residues. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaPolyResidueFeature extends DelegatingCategory { + public MaPolyResidueFeature(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "feature_id": + return getFeatureId(); + case "label_asym_id": + return getLabelAsymId(); + case "label_comp_id": + return getLabelCompId(); + case "label_seq_id": + return getLabelSeqId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the selected residue feature. + * This data item is a pointer to _ma_feature_list.feature_id in the + * MA_FEATURE_LIST category. + * @return IntColumn + */ + public IntColumn getFeatureId() { + return delegate.getColumn("feature_id", DelegatingIntColumn::new); + } + + /** + * An asym/strand identifier for the residue feature. + * This data item is a pointer to _atom_site.label_asym_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelAsymId() { + return delegate.getColumn("label_asym_id", DelegatingStrColumn::new); + } + + /** + * The component identifier for the residue feature. + * This data item is a pointer to _atom_site.label_comp_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelCompId() { + return delegate.getColumn("label_comp_id", DelegatingStrColumn::new); + } + + /** + * The sequence index of the residue feature. + * This data item is a pointer to _atom_site.label_seq_id in the + * ATOM_SITE category. + * @return IntColumn + */ + public IntColumn getLabelSeqId() { + return delegate.getColumn("label_seq_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryComponents.java b/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryComponents.java new file mode 100644 index 000000000..e2b7fc94a --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryComponents.java @@ -0,0 +1,60 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_POLY_TEMPLATE_LIBRARY_COMPONENTS category record details about + * the components in a template library. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaPolyTemplateLibraryComponents extends DelegatingCategory { + public MaPolyTemplateLibraryComponents(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "template_id": + return getTemplateId(); + case "library_id": + return getLibraryId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the template in the template library. + * This data item is a pointer to _ma_poly_template_library_list.template_id + * in the MA_POLY_TEMPLATE_LIBRARY_LIST category. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the template library. + * This data item is a pointer to _ma_poly_template_library_details.library_id in the + * MA_POLY_TEMPLATE_LIBRARY_DETAILS category. + * @return IntColumn + */ + public IntColumn getLibraryId() { + return delegate.getColumn("library_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryDetails.java b/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryDetails.java new file mode 100644 index 000000000..ccca9993c --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryDetails.java @@ -0,0 +1,93 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_POLY_TEMPLATE_LIBRARY_DETAILS category record details + * about the polymeric template libraries used in the modeling. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaPolyTemplateLibraryDetails extends DelegatingCategory { + public MaPolyTemplateLibraryDetails(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "library_id": + return getLibraryId(); + case "target_entity_id": + return getTargetEntityId(); + case "customized_fragment_library_flag": + return getCustomizedFragmentLibraryFlag(); + case "data_id": + return getDataId(); + case "software_group_id": + return getSoftwareGroupId(); + case "description": + return getDescription(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the template library. + * @return IntColumn + */ + public IntColumn getLibraryId() { + return delegate.getColumn("library_id", DelegatingIntColumn::new); + } + + /** + * A unique identifier for the target entity for which the + * template library is used. + * This data item is a pointer to _ma_target_entity.entity_id + * in the MA_TARGET_ENTITY category. + * @return StrColumn + */ + public StrColumn getTargetEntityId() { + return delegate.getColumn("target_entity_id", DelegatingStrColumn::new); + } + + /** + * A flag that indicates whether the template library is used as a + * customized fragment library in a fragment assembly modeling method. + * @return StrColumn + */ + public StrColumn getCustomizedFragmentLibraryFlag() { + return delegate.getColumn("customized_fragment_library_flag", DelegatingStrColumn::new); + } + + /** + * The data_id identifier for the template library. This data item is a pointer to + * _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + + /** + * The identifier to the set of software used to build the template library. + * This data item is a pointer to the _ma_software_group.group_id in the + * MA_SOFTWARE_GROUP category. + * @return IntColumn + */ + public IntColumn getSoftwareGroupId() { + return delegate.getColumn("software_group_id", DelegatingIntColumn::new); + } + + /** + * Description of the template library. + * @return StrColumn + */ + public StrColumn getDescription() { + return delegate.getColumn("description", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryList.java b/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryList.java new file mode 100644 index 000000000..48dfb3001 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaPolyTemplateLibraryList.java @@ -0,0 +1,118 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_POLY_TEMPLATE_LIBRARY_LIST category carries the list of + * templates used to build a template library. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaPolyTemplateLibraryList extends DelegatingCategory { + public MaPolyTemplateLibraryList(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "template_id": + return getTemplateId(); + case "db_name": + return getDbName(); + case "db_accession_code": + return getDbAccessionCode(); + case "asym_id": + return getAsymId(); + case "model_num": + return getModelNum(); + case "residue_number_begin": + return getResidueNumberBegin(); + case "residue_number_end": + return getResidueNumberEnd(); + case "residue_name_begin": + return getResidueNameBegin(); + case "residue_name_end": + return getResidueNameEnd(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the template. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * The name of the reference database. + * @return StrColumn + */ + public StrColumn getDbName() { + return delegate.getColumn("db_name", DelegatingStrColumn::new); + } + + /** + * The accession code corresponding to the reference database entry. + * @return StrColumn + */ + public StrColumn getDbAccessionCode() { + return delegate.getColumn("db_accession_code", DelegatingStrColumn::new); + } + + /** + * The asym id of the template used in the template library. + * @return StrColumn + */ + public StrColumn getAsymId() { + return delegate.getColumn("asym_id", DelegatingStrColumn::new); + } + + /** + * The model number of the template used in the template library. + * @return StrColumn + */ + public StrColumn getModelNum() { + return delegate.getColumn("model_num", DelegatingStrColumn::new); + } + + /** + * The leading residue index for the template segment used in the template library. + * @return IntColumn + */ + public IntColumn getResidueNumberBegin() { + return delegate.getColumn("residue_number_begin", DelegatingIntColumn::new); + } + + /** + * The trailing residue index for the template segment used in the template library. + * @return IntColumn + */ + public IntColumn getResidueNumberEnd() { + return delegate.getColumn("residue_number_end", DelegatingIntColumn::new); + } + + /** + * The leading residue name (3-letter code) for the template segment + * used in the template library. + * @return StrColumn + */ + public StrColumn getResidueNameBegin() { + return delegate.getColumn("residue_name_begin", DelegatingStrColumn::new); + } + + /** + * The trailing residue name (3-letter code) for the template segment + * used in the template library. + * @return StrColumn + */ + public StrColumn getResidueNameEnd() { + return delegate.getColumn("residue_name_end", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaProtocolStep.java b/src/main/java/org/rcsb/cif/schema/mm/MaProtocolStep.java new file mode 100644 index 000000000..7dc1bbd5b --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaProtocolStep.java @@ -0,0 +1,123 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_PROTOCOL_STEP category captures the + * details of the modeling protocol and individial steps + * within each protocol. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaProtocolStep extends DelegatingCategory { + public MaProtocolStep(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "protocol_id": + return getProtocolId(); + case "step_id": + return getStepId(); + case "method_type": + return getMethodType(); + case "details": + return getDetails(); + case "step_name": + return getStepName(); + case "software_group_id": + return getSoftwareGroupId(); + case "input_data_group_id": + return getInputDataGroupId(); + case "output_data_group_id": + return getOutputDataGroupId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This is a counter keeping track of the protocol steps. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * Unique identifier for the protocol. + * @return IntColumn + */ + public IntColumn getProtocolId() { + return delegate.getColumn("protocol_id", DelegatingIntColumn::new); + } + + /** + * Unique identifier for the protocol step. + * @return IntColumn + */ + public IntColumn getStepId() { + return delegate.getColumn("step_id", DelegatingIntColumn::new); + } + + /** + * The method type that was applied in this protocol step. + * @return StrColumn + */ + public StrColumn getMethodType() { + return delegate.getColumn("method_type", DelegatingStrColumn::new); + } + + /** + * Details of the protocol step. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * A name for the protocol step. + * @return StrColumn + */ + public StrColumn getStepName() { + return delegate.getColumn("step_name", DelegatingStrColumn::new); + } + + /** + * Identifier to the set of software used when applying the protocol step. + * This data item is a pointer to the _ma_software_group.group_id in the + * MA_SOFTWARE_GROUP category. + * @return IntColumn + */ + public IntColumn getSoftwareGroupId() { + return delegate.getColumn("software_group_id", DelegatingIntColumn::new); + } + + /** + * Identifier to the input data group id. + * This data item is a pointer to _ma_data_group.group_id in the + * MA_DATA_GROUP category. + * @return IntColumn + */ + public IntColumn getInputDataGroupId() { + return delegate.getColumn("input_data_group_id", DelegatingIntColumn::new); + } + + /** + * Identifier to the output data group_id. + * This data item is a pointer to _ma_data_group.group_id in the + * MA_DATA_GROUP category. + * @return IntColumn + */ + public IntColumn getOutputDataGroupId() { + return delegate.getColumn("output_data_group_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaQaMetric.java b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetric.java new file mode 100644 index 000000000..849038bdb --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetric.java @@ -0,0 +1,109 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_QA_METRIC category record the + * details of the metrics use to assess model quality. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaQaMetric extends DelegatingCategory { + public MaQaMetric(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "name": + return getName(); + case "description": + return getDescription(); + case "type": + return getType(); + case "type_other_details": + return getTypeOtherDetails(); + case "data_id": + return getDataId(); + case "mode": + return getMode(); + case "software_group_id": + return getSoftwareGroupId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An identifier for the QA metric. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * Name of the QA metric. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + + /** + * Description of the QA metric. + * @return StrColumn + */ + public StrColumn getDescription() { + return delegate.getColumn("description", DelegatingStrColumn::new); + } + + /** + * The type of QA metric. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * Details for other type of QA metric. + * @return StrColumn + */ + public StrColumn getTypeOtherDetails() { + return delegate.getColumn("type_other_details", DelegatingStrColumn::new); + } + + /** + * The data_id identifier corresponding to the model quality assessment, if available. + * This data item is a pointer to _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + + /** + * The mode of calculation of the QA metric. + * @return StrColumn + */ + public StrColumn getMode() { + return delegate.getColumn("mode", DelegatingStrColumn::new); + } + + /** + * Identifier to the set of software used to calculate the QA metric. + * This data item is a pointer to the _ma_software_group.group_id in the + * MA_SOFTWARE_GROUP category. + * @return IntColumn + */ + public IntColumn getSoftwareGroupId() { + return delegate.getColumn("software_group_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricDihedral.java b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricDihedral.java new file mode 100644 index 000000000..72755b4a8 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricDihedral.java @@ -0,0 +1,136 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_QA_METRIC_DIHEDRAL category capture the analysis of + * individual torsion angles of a molecule. This analysis may involve dihedral + * scanning using quantum-mechanical calculations, or a comparison of torsion + * angle values with probability distributions obtained from experimental data + * (e.g. TorsionAnalyzer). Here, the main output is not the value from the + * analysis, but rather a quality classification resulting from an assessment + * of the energetic state or likelihood of each dihedral angle. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaQaMetricDihedral extends DelegatingCategory { + public MaQaMetricDihedral(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "atom_id_1": + return getAtomId1(); + case "atom_id_2": + return getAtomId2(); + case "atom_id_3": + return getAtomId3(); + case "atom_id_4": + return getAtomId4(); + case "metric_id": + return getMetricId(); + case "metric_value": + return getMetricValue(); + case "quality": + return getQuality(); + case "smarts_pattern": + return getSmartsPattern(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * The identifier for one of the four atoms that define the dihedral angle. + * This one is the outer atom connected to atom_id_2. + * This data item is a pointer to _atom_site.id in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getAtomId1() { + return delegate.getColumn("atom_id_1", DelegatingStrColumn::new); + } + + /** + * The identifier for one of the four atoms that define the dihedral angle. + * This one is the inner atom connected to atom_id_1 and atom_id_3. + * This data item is a pointer to _atom_site.id in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getAtomId2() { + return delegate.getColumn("atom_id_2", DelegatingStrColumn::new); + } + + /** + * The identifier for one of the four atoms that define the dihedral angle. + * This one is the inner atom connected to atom_id_2 and atom_id_4. + * This data item is a pointer to _atom_site.id in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getAtomId3() { + return delegate.getColumn("atom_id_3", DelegatingStrColumn::new); + } + + /** + * The identifier for one of the four atoms that define the dihedral angle. + * This one is the outer atom connected to atom_id_3. + * This data item is a pointer to _atom_site.id in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getAtomId4() { + return delegate.getColumn("atom_id_4", DelegatingStrColumn::new); + } + + /** + * The identifier for the QA metric. + * This data item is a pointer to _ma_qa_metric.id in the MA_QA_METRIC category. + * @return IntColumn + */ + public IntColumn getMetricId() { + return delegate.getColumn("metric_id", DelegatingIntColumn::new); + } + + /** + * Computed or measured value used for the quality metric. + * The type of the value is implicitly determined by the method used in the + * validation (e.g. dihedral value, QM energy of dihedral above lowest energy value). + * @return FloatColumn + */ + public FloatColumn getMetricValue() { + return delegate.getColumn("metric_value", DelegatingFloatColumn::new); + } + + /** + * Indicates the outcome or result of the analysis. For instance a quality + * classification into 'relaxed', 'tolerable' or 'strained' as used by TorsionAnalyzer. + * @return StrColumn + */ + public StrColumn getQuality() { + return delegate.getColumn("quality", DelegatingStrColumn::new); + } + + /** + * Option 1: SMARTS pattern that specifies the dihedral angle in its chemical environment, + * encoding the observed frequency distribution for validation against the torsion angle in + * the deposited structure model. Option 2: SMARTS pattern that defines the fragment used + * for dihedral scanning. + * @return StrColumn + */ + public StrColumn getSmartsPattern() { + return delegate.getColumn("smarts_pattern", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricFeature.java b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricFeature.java new file mode 100644 index 000000000..011c51094 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricFeature.java @@ -0,0 +1,86 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_QA_METRIC_FEATURE category captures the + * QA metrics calculated per feature as defined in ma_feature_list. + * Data in this category can be extracted into a separate file which + * is linked to the main file using the categories + * ma_associated_archive_file_details or ma_entry_associated_files + * with file_content set to "QA metrics". + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaQaMetricFeature extends DelegatingCategory { + public MaQaMetricFeature(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "model_id": + return getModelId(); + case "feature_id": + return getFeatureId(); + case "metric_id": + return getMetricId(); + case "metric_value": + return getMetricValue(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the structural model, for which feature-based QA metric is provided. + * This data item is a pointer to _ma_model_list.ordinal_id + * in the MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the feature for which QA metric is provided. + * This data item is a pointer to _ma_feature_list.feature_id + * in the MA_FEATURE_LIST category. + * @return IntColumn + */ + public IntColumn getFeatureId() { + return delegate.getColumn("feature_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the QA metric. + * This data item is a pointer to _ma_qa_metric.id in the + * MA_QA_METRIC category. + * @return IntColumn + */ + public IntColumn getMetricId() { + return delegate.getColumn("metric_id", DelegatingIntColumn::new); + } + + /** + * The value of the QA metric. + * @return FloatColumn + */ + public FloatColumn getMetricValue() { + return delegate.getColumn("metric_value", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricFeaturePairwise.java b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricFeaturePairwise.java new file mode 100644 index 000000000..1d9bc2f88 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricFeaturePairwise.java @@ -0,0 +1,103 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_QA_METRIC_FEATURE_PAIRWISE category captures the + * QA metrics calculated per pair of features as defined in ma_feature_list. + * In cases where the metric is symmetric, it is enough to store just one value per pair. + * For asymmetric metrics, the order of features is expected to be meaningful + * (e.g. PAE where PAE_ij is defined by aligning token i (feature_id_1) and measuring + * the error on token j (feature_id_2)). + * It is valid to only provide values for a subset of feature pairs. + * Data in this category is expected to be very large and can be extracted into a + * separate file which is linked to the main file using the categories + * ma_associated_archive_file_details or ma_entry_associated_files with file_content + * set to "QA metrics". + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaQaMetricFeaturePairwise extends DelegatingCategory { + public MaQaMetricFeaturePairwise(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "model_id": + return getModelId(); + case "feature_id_1": + return getFeatureId1(); + case "feature_id_2": + return getFeatureId2(); + case "metric_id": + return getMetricId(); + case "metric_value": + return getMetricValue(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the structural model for which feature-based QA metric is provided. + * This data item is a pointer to _ma_model_list.ordinal_id + * in the MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the first feature in the pair, for which QA metric is provided. + * This data item is a pointer to _ma_feature_list.feature_id in the MA_FEATURE_LIST + * category. + * @return IntColumn + */ + public IntColumn getFeatureId1() { + return delegate.getColumn("feature_id_1", DelegatingIntColumn::new); + } + + /** + * The identifier for the second feature in the pair, for which QA metric is provided. + * This data item is a pointer to _ma_feature_list.feature_id in the MA_FEATURE_LIST + * category. + * @return IntColumn + */ + public IntColumn getFeatureId2() { + return delegate.getColumn("feature_id_2", DelegatingIntColumn::new); + } + + /** + * The identifier for the QA metric. + * This data item is a pointer to _ma_qa_metric.id in the + * MA_QA_METRIC category. + * @return IntColumn + */ + public IntColumn getMetricId() { + return delegate.getColumn("metric_id", DelegatingIntColumn::new); + } + + /** + * The value of the QA metric. + * @return FloatColumn + */ + public FloatColumn getMetricValue() { + return delegate.getColumn("metric_value", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricGlobal.java b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricGlobal.java new file mode 100644 index 000000000..1a0f223c6 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricGlobal.java @@ -0,0 +1,70 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_QA_METRIC_GLOBAL category captures the + * details of the global QA metrics, calculated at the model-level. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaQaMetricGlobal extends DelegatingCategory { + public MaQaMetricGlobal(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "model_id": + return getModelId(); + case "metric_id": + return getMetricId(); + case "metric_value": + return getMetricValue(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the structural model, for which global QA metric is provided. + * This data item is a pointer to _ma_model_list.ordinal_id + * in the MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the QA metric. + * This data item is a pointer to _ma_qa_metric.id in the + * MA_QA_METRIC category. + * @return IntColumn + */ + public IntColumn getMetricId() { + return delegate.getColumn("metric_id", DelegatingIntColumn::new); + } + + /** + * The value of the global QA metric. + * @return FloatColumn + */ + public FloatColumn getMetricValue() { + return delegate.getColumn("metric_value", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricLocal.java b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricLocal.java new file mode 100644 index 000000000..5bd7ed1b9 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricLocal.java @@ -0,0 +1,113 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_QA_METRIC_LOCAL category captures the + * details of the local QA metrics, calculated at the residue-level. + * Data in this category can be extracted into a separate file which + * is linked to the main file using the categories + * ma_associated_archive_file_details or ma_entry_associated_files + * with file_content set to "QA metrics". + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaQaMetricLocal extends DelegatingCategory { + public MaQaMetricLocal(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "model_id": + return getModelId(); + case "label_asym_id": + return getLabelAsymId(); + case "label_seq_id": + return getLabelSeqId(); + case "label_comp_id": + return getLabelCompId(); + case "metric_id": + return getMetricId(); + case "metric_value": + return getMetricValue(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the structural model, for which local QA metric is provided. + * This data item is a pointer to _ma_model_list.ordinal_id + * in the MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the asym id of the residue in the + * structural model, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_asym_id + * in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelAsymId() { + return delegate.getColumn("label_asym_id", DelegatingStrColumn::new); + } + + /** + * The identifier for the sequence index of the residue + * in the structural model, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_seq_id + * in the ATOM_SITE category. + * @return IntColumn + */ + public IntColumn getLabelSeqId() { + return delegate.getColumn("label_seq_id", DelegatingIntColumn::new); + } + + /** + * The component identifier for the residue in the + * structural model, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_comp_id + * in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelCompId() { + return delegate.getColumn("label_comp_id", DelegatingStrColumn::new); + } + + /** + * The identifier for the QA metric. + * This data item is a pointer to _ma_qa_metric.id in the + * MA_QA_METRIC category. + * @return IntColumn + */ + public IntColumn getMetricId() { + return delegate.getColumn("metric_id", DelegatingIntColumn::new); + } + + /** + * The value of the local QA metric. + * @return FloatColumn + */ + public FloatColumn getMetricValue() { + return delegate.getColumn("metric_value", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricLocalPairwise.java b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricLocalPairwise.java new file mode 100644 index 000000000..7ba60e72d --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaQaMetricLocalPairwise.java @@ -0,0 +1,157 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_QA_METRIC_LOCAL_PAIRWISE category captures the + * details of the local QA metrics, calculated at the pairwise residue level. + * In cases where the metric is symmetric, it is enough to store just one value per pair. + * For asymmetric metrics, the order of residues is expected to be meaningful + * (e.g. PAE where PAE_ij is defined by aligning residue i (label_*_1) and measuring + * the error on residue j (label_*_2)). + * In all cases, it is perfectly valid to only provide values for a subset of residue pairs. + * Data in this category is expected to be very large and can be extracted into a + * separate file which is linked to the main file using the categories + * ma_associated_archive_file_details or ma_entry_associated_files with file_content + * set to "QA metrics". + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaQaMetricLocalPairwise extends DelegatingCategory { + public MaQaMetricLocalPairwise(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "model_id": + return getModelId(); + case "label_asym_id_1": + return getLabelAsymId1(); + case "label_seq_id_1": + return getLabelSeqId1(); + case "label_comp_id_1": + return getLabelCompId1(); + case "label_asym_id_2": + return getLabelAsymId2(); + case "label_seq_id_2": + return getLabelSeqId2(); + case "label_comp_id_2": + return getLabelCompId2(); + case "metric_id": + return getMetricId(); + case "metric_value": + return getMetricValue(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the structural model, for which local QA metric is provided. + * This data item is a pointer to _ma_model_list.ordinal_id + * in the MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getModelId() { + return delegate.getColumn("model_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the asym id of the first residue in the + * pair, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_asym_id + * in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelAsymId1() { + return delegate.getColumn("label_asym_id_1", DelegatingStrColumn::new); + } + + /** + * The identifier for the sequence index of the first residue + * in the pair, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_seq_id + * in the ATOM_SITE category. + * @return IntColumn + */ + public IntColumn getLabelSeqId1() { + return delegate.getColumn("label_seq_id_1", DelegatingIntColumn::new); + } + + /** + * The component identifier for the first residue in the + * pair, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_comp_id + * in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelCompId1() { + return delegate.getColumn("label_comp_id_1", DelegatingStrColumn::new); + } + + /** + * The identifier for the asym id of the second residue in the + * pair, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_asym_id + * in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelAsymId2() { + return delegate.getColumn("label_asym_id_2", DelegatingStrColumn::new); + } + + /** + * The identifier for the sequence index of the second residue + * in the pair, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_seq_id + * in the ATOM_SITE category. + * @return IntColumn + */ + public IntColumn getLabelSeqId2() { + return delegate.getColumn("label_seq_id_2", DelegatingIntColumn::new); + } + + /** + * The component identifier for the second residue in the + * pair, for which local QA metric is provided. + * This data item is a pointer to _atom_site.label_comp_id + * in the ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelCompId2() { + return delegate.getColumn("label_comp_id_2", DelegatingStrColumn::new); + } + + /** + * The identifier for the QA metric. + * This data item is a pointer to _ma_qa_metric.id in the + * MA_QA_METRIC category. + * @return IntColumn + */ + public IntColumn getMetricId() { + return delegate.getColumn("metric_id", DelegatingIntColumn::new); + } + + /** + * The value of the local QA metric. + * @return FloatColumn + */ + public FloatColumn getMetricValue() { + return delegate.getColumn("metric_value", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaRestraints.java b/src/main/java/org/rcsb/cif/schema/mm/MaRestraints.java new file mode 100644 index 000000000..8d2132356 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaRestraints.java @@ -0,0 +1,89 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_RESTRAINTS category provides the + * list of the different types of spatial restraints used + * in the modeling. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaRestraints extends DelegatingCategory { + public MaRestraints(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "restraint_id": + return getRestraintId(); + case "name": + return getName(); + case "restraint_type": + return getRestraintType(); + case "restraint_type_other_details": + return getRestraintTypeOtherDetails(); + case "data_id": + return getDataId(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the restraint. + * @return IntColumn + */ + public IntColumn getRestraintId() { + return delegate.getColumn("restraint_id", DelegatingIntColumn::new); + } + + /** + * An author-given name for the set of restraints. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + + /** + * The type of restraint. + * @return StrColumn + */ + public StrColumn getRestraintType() { + return delegate.getColumn("restraint_type", DelegatingStrColumn::new); + } + + /** + * Details for other restraint types. + * @return StrColumn + */ + public StrColumn getRestraintTypeOtherDetails() { + return delegate.getColumn("restraint_type_other_details", DelegatingStrColumn::new); + } + + /** + * The identifier linking to the data category. + * This data item is a pointer to _ma_data.id + * in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + + /** + * Additional details regarding the restraints used in the modeling. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaRestraintsGroup.java b/src/main/java/org/rcsb/cif/schema/mm/MaRestraintsGroup.java new file mode 100644 index 000000000..56caf692c --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaRestraintsGroup.java @@ -0,0 +1,58 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_RESTRAINTS_GROUP category captures the + * details of groups of restraints used in the modeling. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaRestraintsGroup extends DelegatingCategory { + public MaRestraintsGroup(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "group_id": + return getGroupId(); + case "restraint_id": + return getRestraintId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for a group of restraints. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the group entry. + * @return IntColumn + */ + public IntColumn getGroupId() { + return delegate.getColumn("group_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the set of restraints. + * This data item is a pointer to _ma_restraints.restraint_id + * in the MA_RESTRAINTS category. + * @return IntColumn + */ + public IntColumn getRestraintId() { + return delegate.getColumn("restraint_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaSoftwareGroup.java b/src/main/java/org/rcsb/cif/schema/mm/MaSoftwareGroup.java new file mode 100644 index 000000000..0e9836fc8 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaSoftwareGroup.java @@ -0,0 +1,74 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_SOFTWARE_GROUP category describes the + * collection of software into groups so that they can be used + * efficiently in the MA_PROTOCOL_STEP category. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaSoftwareGroup extends DelegatingCategory { + public MaSoftwareGroup(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "group_id": + return getGroupId(); + case "software_id": + return getSoftwareId(); + case "parameter_group_id": + return getParameterGroupId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the group entry. + * If data does not need to be grouped, then _ma_software_group.group_id + * is the same as _ma_software_group.software_id. + * @return IntColumn + */ + public IntColumn getGroupId() { + return delegate.getColumn("group_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the software. + * This data item is a pointer to _software.pdbx_ordinal + * in the SOFTWARE category. + * @return IntColumn + */ + public IntColumn getSoftwareId() { + return delegate.getColumn("software_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the set of parameters input to the software, + * as applied to the software group. + * This data item is a pointer to _ma_software_parameter.group_id in the + * MA_SOFTWARE_PARAMETER category. + * @return IntColumn + */ + public IntColumn getParameterGroupId() { + return delegate.getColumn("parameter_group_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaSoftwareParameter.java b/src/main/java/org/rcsb/cif/schema/mm/MaSoftwareParameter.java new file mode 100644 index 000000000..35f4c256d --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaSoftwareParameter.java @@ -0,0 +1,97 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_SOFTWARE_PARAMETER category record the + * details of the software parameters used in the modeling + * protocol steps. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaSoftwareParameter extends DelegatingCategory { + public MaSoftwareParameter(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "parameter_id": + return getParameterId(); + case "group_id": + return getGroupId(); + case "name": + return getName(); + case "description": + return getDescription(); + case "value": + return getValue(); + case "data_type": + return getDataType(); + case "data_type_other_details": + return getDataTypeOtherDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the parameter. + * @return IntColumn + */ + public IntColumn getParameterId() { + return delegate.getColumn("parameter_id", DelegatingIntColumn::new); + } + + /** + * An identifier to denote the set of parameters used by the software. + * @return IntColumn + */ + public IntColumn getGroupId() { + return delegate.getColumn("group_id", DelegatingIntColumn::new); + } + + /** + * The name of the parameter as used in the software. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + + /** + * Description of the parameter. + * @return StrColumn + */ + public StrColumn getDescription() { + return delegate.getColumn("description", DelegatingStrColumn::new); + } + + /** + * The value of the parameter. + * @return StrColumn + */ + public StrColumn getValue() { + return delegate.getColumn("value", DelegatingStrColumn::new); + } + + /** + * The data type of the parameter. + * @return StrColumn + */ + public StrColumn getDataType() { + return delegate.getColumn("data_type", DelegatingStrColumn::new); + } + + /** + * Details of other data types of software parameters. + * @return StrColumn + */ + public StrColumn getDataTypeOtherDetails() { + return delegate.getColumn("data_type_other_details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaStructAssembly.java b/src/main/java/org/rcsb/cif/schema/mm/MaStructAssembly.java new file mode 100644 index 000000000..903885b0f --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaStructAssembly.java @@ -0,0 +1,106 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_STRUCT_ASSEMBLY category records the + * details of the structural assemblies modeled. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaStructAssembly extends DelegatingCategory { + public MaStructAssembly(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "assembly_id": + return getAssemblyId(); + case "entity_description": + return getEntityDescription(); + case "entity_id": + return getEntityId(); + case "asym_id": + return getAsymId(); + case "seq_id_begin": + return getSeqIdBegin(); + case "seq_id_end": + return getSeqIdEnd(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the structural assembly description. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * An identifier for the structural assembly. + * This data item will remain the same for all components + * of an assembly. + * This data item is a pointer to _ma_model_list.assembly_id in the + * MA_MODEL_LIST category. + * @return IntColumn + */ + public IntColumn getAssemblyId() { + return delegate.getColumn("assembly_id", DelegatingIntColumn::new); + } + + /** + * A text description of the molecular entity + * @return StrColumn + */ + public StrColumn getEntityDescription() { + return delegate.getColumn("entity_description", DelegatingStrColumn::new); + } + + /** + * A unique identifier for distinct molecular entities. + * This data item is a pointer to _entity_poly_seq.entity_id in the + * ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId() { + return delegate.getColumn("entity_id", DelegatingStrColumn::new); + } + + /** + * An asym/strand identifier for the component in the assembly. + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASYM category. + * @return StrColumn + */ + public StrColumn getAsymId() { + return delegate.getColumn("asym_id", DelegatingStrColumn::new); + } + + /** + * The starting residue index for the sequence segment of the entity instance + * that is part of the assembly. + * @return IntColumn + */ + public IntColumn getSeqIdBegin() { + return delegate.getColumn("seq_id_begin", DelegatingIntColumn::new); + } + + /** + * The ending residue index for the sequence segment of the entity instance + * that is part of the assembly. + * @return IntColumn + */ + public IntColumn getSeqIdEnd() { + return delegate.getColumn("seq_id_end", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaStructAssemblyDetails.java b/src/main/java/org/rcsb/cif/schema/mm/MaStructAssemblyDetails.java new file mode 100644 index 000000000..82d66c527 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaStructAssemblyDetails.java @@ -0,0 +1,56 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_STRUCT_ASSEMBLY_DETAILS category provides + * additional details regarding the structure assembly. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaStructAssemblyDetails extends DelegatingCategory { + public MaStructAssemblyDetails(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "assembly_id": + return getAssemblyId(); + case "assembly_name": + return getAssemblyName(); + case "assembly_description": + return getAssemblyDescription(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the structural assembly. + * @return IntColumn + */ + public IntColumn getAssemblyId() { + return delegate.getColumn("assembly_id", DelegatingIntColumn::new); + } + + /** + * A name for the structural assembly. + * @return StrColumn + */ + public StrColumn getAssemblyName() { + return delegate.getColumn("assembly_name", DelegatingStrColumn::new); + } + + /** + * Description of the structural assembly. + * @return StrColumn + */ + public StrColumn getAssemblyDescription() { + return delegate.getColumn("assembly_description", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTargetEntity.java b/src/main/java/org/rcsb/cif/schema/mm/MaTargetEntity.java new file mode 100644 index 000000000..8c1b3b340 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTargetEntity.java @@ -0,0 +1,59 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TARGET_ENTITY category record details about + * the target entities. The details are provided for each entity + * being modeled. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTargetEntity extends DelegatingCategory { + public MaTargetEntity(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "entity_id": + return getEntityId(); + case "data_id": + return getDataId(); + case "origin": + return getOrigin(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the distinct molecular entity of the target. + * This data item is a pointer to _entity.id in the ENTITY category. + * @return StrColumn + */ + public StrColumn getEntityId() { + return delegate.getColumn("entity_id", DelegatingStrColumn::new); + } + + /** + * The data_id identifier. This data item is a pointer to + * _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getDataId() { + return delegate.getColumn("data_id", DelegatingIntColumn::new); + } + + /** + * The origin of the target entity. + * @return StrColumn + */ + public StrColumn getOrigin() { + return delegate.getColumn("origin", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTargetEntityInstance.java b/src/main/java/org/rcsb/cif/schema/mm/MaTargetEntityInstance.java new file mode 100644 index 000000000..9a7d340ae --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTargetEntityInstance.java @@ -0,0 +1,58 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TARGET_ENTITY_INSTANCE category record details about + * the instances of target entities modeled. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTargetEntityInstance extends DelegatingCategory { + public MaTargetEntityInstance(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "asym_id": + return getAsymId(); + case "entity_id": + return getEntityId(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the instance of the entity. + * @return StrColumn + */ + public StrColumn getAsymId() { + return delegate.getColumn("asym_id", DelegatingStrColumn::new); + } + + /** + * A unique identifier for the distinct molecular entity of the target. + * This data item is a pointer to _ma_target_entity.entity_id in the + * MA_TARGET_ENTITY category. + * @return StrColumn + */ + public StrColumn getEntityId() { + return delegate.getColumn("entity_id", DelegatingStrColumn::new); + } + + /** + * Additional details about the entity instance. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTargetRefDbDetails.java b/src/main/java/org/rcsb/cif/schema/mm/MaTargetRefDbDetails.java new file mode 100644 index 000000000..9c049c5a6 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTargetRefDbDetails.java @@ -0,0 +1,174 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TARGET_REF_DB_DETAILS category record details about + * the reference databases for the target sequences. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTargetRefDbDetails extends DelegatingCategory { + public MaTargetRefDbDetails(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "target_entity_id": + return getTargetEntityId(); + case "db_name": + return getDbName(); + case "db_name_other_details": + return getDbNameOtherDetails(); + case "db_code": + return getDbCode(); + case "db_accession": + return getDbAccession(); + case "seq_db_isoform": + return getSeqDbIsoform(); + case "seq_db_align_begin": + return getSeqDbAlignBegin(); + case "seq_db_align_end": + return getSeqDbAlignEnd(); + case "ncbi_taxonomy_id": + return getNcbiTaxonomyId(); + case "organism_scientific": + return getOrganismScientific(); + case "gene_name": + return getGeneName(); + case "seq_db_sequence_checksum": + return getSeqDbSequenceChecksum(); + case "seq_db_sequence_version_date": + return getSeqDbSequenceVersionDate(); + case "is_primary": + return getIsPrimary(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An identifier for the target entity. + * @return StrColumn + */ + public StrColumn getTargetEntityId() { + return delegate.getColumn("target_entity_id", DelegatingStrColumn::new); + } + + /** + * The name of the database containing reference information about + * this entity or biological unit. + * @return StrColumn + */ + public StrColumn getDbName() { + return delegate.getColumn("db_name", DelegatingStrColumn::new); + } + + /** + * The other database name. + * @return StrColumn + */ + public StrColumn getDbNameOtherDetails() { + return delegate.getColumn("db_name_other_details", DelegatingStrColumn::new); + } + + /** + * The code for this entity or biological unit or for a closely + * related entity or biological unit in the named database. + * This can include the version number. + * @return StrColumn + */ + public StrColumn getDbCode() { + return delegate.getColumn("db_code", DelegatingStrColumn::new); + } + + /** + * Accession code assigned by the reference database. + * @return StrColumn + */ + public StrColumn getDbAccession() { + return delegate.getColumn("db_accession", DelegatingStrColumn::new); + } + + /** + * Database code assigned by the reference database for a sequence isoform. An isoform sequence is an + * alternative protein sequence that can be generated from the same gene by a single or by a combination of + * biological events such as: alternative promoter usage, alternative splicing, alternative initiation + * and ribosomal frameshifting. + * @return StrColumn + */ + public StrColumn getSeqDbIsoform() { + return delegate.getColumn("seq_db_isoform", DelegatingStrColumn::new); + } + + /** + * Beginning index in the chemical sequence from the + * reference database. + * @return StrColumn + */ + public StrColumn getSeqDbAlignBegin() { + return delegate.getColumn("seq_db_align_begin", DelegatingStrColumn::new); + } + + /** + * Ending index in the chemical sequence from the + * reference database. + * @return StrColumn + */ + public StrColumn getSeqDbAlignEnd() { + return delegate.getColumn("seq_db_align_end", DelegatingStrColumn::new); + } + + /** + * Taxonomy identifier provided by NCBI. + * @return StrColumn + */ + public StrColumn getNcbiTaxonomyId() { + return delegate.getColumn("ncbi_taxonomy_id", DelegatingStrColumn::new); + } + + /** + * Scientific name of the organism. + * @return StrColumn + */ + public StrColumn getOrganismScientific() { + return delegate.getColumn("organism_scientific", DelegatingStrColumn::new); + } + + /** + * Name of the gene corresponding to the target entity. + * @return StrColumn + */ + public StrColumn getGeneName() { + return delegate.getColumn("gene_name", DelegatingStrColumn::new); + } + + /** + * Checksum (CRC64) for the sequence in the reference sequence database. + * @return StrColumn + */ + public StrColumn getSeqDbSequenceChecksum() { + return delegate.getColumn("seq_db_sequence_checksum", DelegatingStrColumn::new); + } + + /** + * The version date of the sequence in the reference sequence database. + * @return StrColumn + */ + public StrColumn getSeqDbSequenceVersionDate() { + return delegate.getColumn("seq_db_sequence_version_date", DelegatingStrColumn::new); + } + + /** + * Flag to identify the main input used in the modeling. + * @return StrColumn + */ + public StrColumn getIsPrimary() { + return delegate.getColumn("is_primary", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTargetTemplatePolyMapping.java b/src/main/java/org/rcsb/cif/schema/mm/MaTargetTemplatePolyMapping.java new file mode 100644 index 000000000..b13f98983 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTargetTemplatePolyMapping.java @@ -0,0 +1,80 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TARGET_TEMPLATE_MAPPING category record details about + * the mappings of the polymeric targets to the structural templates. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTargetTemplatePolyMapping extends DelegatingCategory { + public MaTargetTemplatePolyMapping(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "template_segment_id": + return getTemplateSegmentId(); + case "target_asym_id": + return getTargetAsymId(); + case "target_seq_id_begin": + return getTargetSeqIdBegin(); + case "target_seq_id_end": + return getTargetSeqIdEnd(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the target-template mapping. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * An identifier to the template segment. + * This data item is a pointer to _ma_template_poly_segment.id + * in the MA_TEMPLATE_POLY_SEGMENT category. + * @return IntColumn + */ + public IntColumn getTemplateSegmentId() { + return delegate.getColumn("template_segment_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the corresponding target instance for which this template is used. + * This data item is a pointer to _ma_target_entity_instance.asym_id in the + * MA_TARGET_ENTITY_INSTANCE category. + * @return StrColumn + */ + public StrColumn getTargetAsymId() { + return delegate.getColumn("target_asym_id", DelegatingStrColumn::new); + } + + /** + * The leading residue index for the target sequence segment. + * @return IntColumn + */ + public IntColumn getTargetSeqIdBegin() { + return delegate.getColumn("target_seq_id_begin", DelegatingIntColumn::new); + } + + /** + * The trailing residue index for the target sequence segment. + * @return IntColumn + */ + public IntColumn getTargetSeqIdEnd() { + return delegate.getColumn("target_seq_id_end", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplateBranched.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateBranched.java new file mode 100644 index 000000000..b221d9430 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateBranched.java @@ -0,0 +1,116 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_BRANCHED category record details about + * the structural templates for branched polymers used in the + * homology/comparative modeling. + * The table can be populated using values from PDBx/mmCIF tables + * _pdbx_entity_branch_descriptor and _pdbx_entity_branch for the template, + * if available. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplateBranched extends DelegatingCategory { + public MaTemplateBranched(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "template_id": + return getTemplateId(); + case "name": + return getName(); + case "descriptor_type": + return getDescriptorType(); + case "descriptor_value": + return getDescriptorValue(); + case "descriptor_software_id": + return getDescriptorSoftwareId(); + case "type": + return getType(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * Identifier for the template. + * This data item is a pointer to _ma_template_details.template_id + * in the MA_TEMPLATE_DETAILS category. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * Name of the branched polymer. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + + /** + * Descriptor type for the branched polymer. + * @return StrColumn + */ + public StrColumn getDescriptorType() { + return delegate.getColumn("descriptor_type", DelegatingStrColumn::new); + } + + /** + * Descriptor value for the branched polymer provided in + * _ma_template_branched.descriptor_type. + * @return StrColumn + */ + public StrColumn getDescriptorValue() { + return delegate.getColumn("descriptor_value", DelegatingStrColumn::new); + } + + /** + * Identifier for the software used to compute the descriptor provided in + * _ma_template_branched.descriptor_value. + * This data item is a pointer to _software.pdbx_ordinal + * in the SOFTWARE category. + * @return IntColumn + */ + public IntColumn getDescriptorSoftwareId() { + return delegate.getColumn("descriptor_software_id", DelegatingIntColumn::new); + } + + /** + * Type of branched polymer used as template. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * Additional details about the branched template. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplateCoord.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateCoord.java new file mode 100644 index 000000000..509fad38d --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateCoord.java @@ -0,0 +1,233 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_COORD category records the coordinates + * for customized structural templates used in model building. These are + * provided by the user and not referenced from an existing database. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplateCoord extends DelegatingCategory { + public MaTemplateCoord(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "template_id": + return getTemplateId(); + case "group_PDB": + return getGroupPDB(); + case "type_symbol": + return getTypeSymbol(); + case "label_entity_id": + return getLabelEntityId(); + case "label_atom_id": + return getLabelAtomId(); + case "label_comp_id": + return getLabelCompId(); + case "label_seq_id": + return getLabelSeqId(); + case "label_asym_id": + return getLabelAsymId(); + case "auth_seq_id": + return getAuthSeqId(); + case "auth_atom_id": + return getAuthAtomId(); + case "auth_comp_id": + return getAuthCompId(); + case "auth_asym_id": + return getAuthAsymId(); + case "Cartn_x": + return getCartnX(); + case "Cartn_y": + return getCartnY(); + case "Cartn_z": + return getCartnZ(); + case "occupancy": + return getOccupancy(); + case "B_iso_or_equiv": + return getBIsoOrEquiv(); + case "formal_charge": + return getFormalCharge(); + case "pdb_model_num": + return getPdbModelNum(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for this coordinate position. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * The identifier for the customized template structure. + * This data item is a pointer to _ma_template_customized.template_id + * in the MA_TEMPLATE_CUSTOMIZED category. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * The group of atoms to which the atom site in the starting model belongs. This data + * item is provided for compatibility with the original Protein Data Bank format, + * and only for that purpose. + * @return StrColumn + */ + public StrColumn getGroupPDB() { + return delegate.getColumn("group_PDB", DelegatingStrColumn::new); + } + + /** + * The atom type symbol(element symbol) corresponding to this coordinate position. + * @return StrColumn + */ + public StrColumn getTypeSymbol() { + return delegate.getColumn("type_symbol", DelegatingStrColumn::new); + } + + /** + * The entity identifier corresponding to this coordinate position. + * @return StrColumn + */ + public StrColumn getLabelEntityId() { + return delegate.getColumn("label_entity_id", DelegatingStrColumn::new); + } + + /** + * The atom identifier/name corresponding to this coordinate position. + * @return StrColumn + */ + public StrColumn getLabelAtomId() { + return delegate.getColumn("label_atom_id", DelegatingStrColumn::new); + } + + /** + * The component identifier corresponding to this coordinate position. + * @return StrColumn + */ + public StrColumn getLabelCompId() { + return delegate.getColumn("label_comp_id", DelegatingStrColumn::new); + } + + /** + * The sequence index corresponding this to coordinate position. + * @return IntColumn + */ + public IntColumn getLabelSeqId() { + return delegate.getColumn("label_seq_id", DelegatingIntColumn::new); + } + + /** + * The asym/strand id corresponding to this coordinate position. + * @return StrColumn + */ + public StrColumn getLabelAsymId() { + return delegate.getColumn("label_asym_id", DelegatingStrColumn::new); + } + + /** + * The author provided sequence index corresponding this to coordinate position. + * @return IntColumn + */ + public IntColumn getAuthSeqId() { + return delegate.getColumn("auth_seq_id", DelegatingIntColumn::new); + } + + /** + * The author provided atom identifier/name corresponding to this coordinate position. + * @return StrColumn + */ + public StrColumn getAuthAtomId() { + return delegate.getColumn("auth_atom_id", DelegatingStrColumn::new); + } + + /** + * The author provided component identifier corresponding to this coordinate position. + * @return StrColumn + */ + public StrColumn getAuthCompId() { + return delegate.getColumn("auth_comp_id", DelegatingStrColumn::new); + } + + /** + * The author provided asym/strand id corresponding to this coordinate position. + * @return StrColumn + */ + public StrColumn getAuthAsymId() { + return delegate.getColumn("auth_asym_id", DelegatingStrColumn::new); + } + + /** + * The Cartesian X component corresponding to this coordinate position. + * @return FloatColumn + */ + public FloatColumn getCartnX() { + return delegate.getColumn("Cartn_x", DelegatingFloatColumn::new); + } + + /** + * The Cartesian Y component corresponding to this coordinate position. + * @return FloatColumn + */ + public FloatColumn getCartnY() { + return delegate.getColumn("Cartn_y", DelegatingFloatColumn::new); + } + + /** + * The Cartesian Z component corresponding to this coordinate position. + * @return FloatColumn + */ + public FloatColumn getCartnZ() { + return delegate.getColumn("Cartn_z", DelegatingFloatColumn::new); + } + + /** + * The fraction of the atom type present at this site. + * The sum of the occupancies of all the atom types at this site + * may not significantly exceed 1.0 unless it is a dummy site. + * @return FloatColumn + */ + public FloatColumn getOccupancy() { + return delegate.getColumn("occupancy", DelegatingFloatColumn::new); + } + + /** + * The isotropic temperature factor corresponding to this coordinate position. + * @return FloatColumn + */ + public FloatColumn getBIsoOrEquiv() { + return delegate.getColumn("B_iso_or_equiv", DelegatingFloatColumn::new); + } + + /** + * The formal charge corresponding to this coordinate position. + * @return IntColumn + */ + public IntColumn getFormalCharge() { + return delegate.getColumn("formal_charge", DelegatingIntColumn::new); + } + + /** + * The PDB model number. + * @return IntColumn + */ + public IntColumn getPdbModelNum() { + return delegate.getColumn("pdb_model_num", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplateCustomized.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateCustomized.java new file mode 100644 index 000000000..1e3dc49a2 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateCustomized.java @@ -0,0 +1,48 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_CUSTOMIZED category record details about + * the customized structural templates that are not from a reference database. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplateCustomized extends DelegatingCategory { + public MaTemplateCustomized(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "template_id": + return getTemplateId(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for this template record. + * This data item is a pointer to _ma_template_details.template_id + * in the MA_TEMPLATE_DETAILS category. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * Additional textual details about how the customized template was built. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplateDetails.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateDetails.java new file mode 100644 index 000000000..6181d7300 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateDetails.java @@ -0,0 +1,172 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_DETAILS category record details about + * the structural templates used in to obtain the homology/comparative models. + * The template can be a polymer or a non-polymer and can be either + * referenced from an existing database or can be a customized + * template provided by the user. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplateDetails extends DelegatingCategory { + public MaTemplateDetails(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal_id": + return getOrdinalId(); + case "template_id": + return getTemplateId(); + case "template_entity_type": + return getTemplateEntityType(); + case "template_origin": + return getTemplateOrigin(); + case "template_data_id": + return getTemplateDataId(); + case "target_asym_id": + return getTargetAsymId(); + case "template_auth_asym_id": + return getTemplateAuthAsymId(); + case "template_label_asym_id": + return getTemplateLabelAsymId(); + case "template_label_entity_id": + return getTemplateLabelEntityId(); + case "template_model_num": + return getTemplateModelNum(); + case "template_trans_matrix_id": + return getTemplateTransMatrixId(); + case "template_name": + return getTemplateName(); + case "template_description": + return getTemplateDescription(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the category. + * @return IntColumn + */ + public IntColumn getOrdinalId() { + return delegate.getColumn("ordinal_id", DelegatingIntColumn::new); + } + + /** + * A unique identifier for this template record. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * The type of template. + * @return StrColumn + */ + public StrColumn getTemplateEntityType() { + return delegate.getColumn("template_entity_type", DelegatingStrColumn::new); + } + + /** + * The origin of the template. + * @return StrColumn + */ + public StrColumn getTemplateOrigin() { + return delegate.getColumn("template_origin", DelegatingStrColumn::new); + } + + /** + * The data_id identifier for the structural template. This data item is a pointer to + * _ma_data.id in the MA_DATA category. + * @return IntColumn + */ + public IntColumn getTemplateDataId() { + return delegate.getColumn("template_data_id", DelegatingIntColumn::new); + } + + /** + * A unique identifier for the target instance for which the + * structural template is used. + * This data item is a pointer to _ma_target_entity_instance.asym_id + * in the MA_TARGET_ENTITY_INSTANCE category. + * @return StrColumn + */ + public StrColumn getTargetAsymId() { + return delegate.getColumn("target_asym_id", DelegatingStrColumn::new); + } + + /** + * The author provided chain ID corresponding to the template. This is the + * author provided chain ID as found at the source of the template, e.g. the + * external mmCIF file storing the template coordinates. If the external + * source is a PDB formatted file, template_auth_asym_id is the chain ID. + * @return StrColumn + */ + public StrColumn getTemplateAuthAsymId() { + return delegate.getColumn("template_auth_asym_id", DelegatingStrColumn::new); + } + + /** + * The label asym ID corresponding to the template. This is the asym ID as + * found at the source of the template, e.g. the external mmCIF file storing + * the template coordinates. + * @return StrColumn + */ + public StrColumn getTemplateLabelAsymId() { + return delegate.getColumn("template_label_asym_id", DelegatingStrColumn::new); + } + + /** + * The entity ID corresponding to the template. This is the entity ID as + * found at the source of the template, e.g. the external mmCIF file storing + * the template coordinates. + * @return StrColumn + */ + public StrColumn getTemplateLabelEntityId() { + return delegate.getColumn("template_label_entity_id", DelegatingStrColumn::new); + } + + /** + * The model number corresponding to the template. + * @return IntColumn + */ + public IntColumn getTemplateModelNum() { + return delegate.getColumn("template_model_num", DelegatingIntColumn::new); + } + + /** + * The identifier to the transformation matrix applied to the template + * in order to generate the starting structure used in the current modeling. + * An identify matrix should be referenced in case of no transformation. + * @return IntColumn + */ + public IntColumn getTemplateTransMatrixId() { + return delegate.getColumn("template_trans_matrix_id", DelegatingIntColumn::new); + } + + /** + * A name for the template. + * @return StrColumn + */ + public StrColumn getTemplateName() { + return delegate.getColumn("template_name", DelegatingStrColumn::new); + } + + /** + * Description of the template. + * @return StrColumn + */ + public StrColumn getTemplateDescription() { + return delegate.getColumn("template_description", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplateNonPoly.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateNonPoly.java new file mode 100644 index 000000000..e21665263 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateNonPoly.java @@ -0,0 +1,100 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_NON_POLY category record details about + * the non-polymeric structural templates used in the homology/comparative + * modeling. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplateNonPoly extends DelegatingCategory { + public MaTemplateNonPoly(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "template_id": + return getTemplateId(); + case "comp_id": + return getCompId(); + case "smiles": + return getSmiles(); + case "smiles_canonical": + return getSmilesCanonical(); + case "inchi": + return getInchi(); + case "inchi_key": + return getInchiKey(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the template. + * This data item is a pointer to _ma_template_details.template_id + * in the MA_TEMPLATE_DETAILS category. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * The component identifier of the non-polymeric template, if available. + * This data item is a pointer to _chem_comp.id in the CHEM_COMP category. + * @return StrColumn + */ + public StrColumn getCompId() { + return delegate.getColumn("comp_id", DelegatingStrColumn::new); + } + + /** + * The smile string of the non-polymeric template. + * @return StrColumn + */ + public StrColumn getSmiles() { + return delegate.getColumn("smiles", DelegatingStrColumn::new); + } + + /** + * The canonical smile string of the non-polymeric template. + * @return StrColumn + */ + public StrColumn getSmilesCanonical() { + return delegate.getColumn("smiles_canonical", DelegatingStrColumn::new); + } + + /** + * The IUPAC INCHI descriptor of the non-polymeric template. + * @return StrColumn + */ + public StrColumn getInchi() { + return delegate.getColumn("inchi", DelegatingStrColumn::new); + } + + /** + * The hashed INCHI key of the non-polymeric template. + * @return StrColumn + */ + public StrColumn getInchiKey() { + return delegate.getColumn("inchi_key", DelegatingStrColumn::new); + } + + /** + * Additional details about the non-polymeric template. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplatePoly.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplatePoly.java new file mode 100644 index 000000000..4b25c25f8 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplatePoly.java @@ -0,0 +1,70 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_POLY category record details about + * the polymeric structural templates used in homology/comparative modeling. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplatePoly extends DelegatingCategory { + public MaTemplatePoly(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "template_id": + return getTemplateId(); + case "seq_one_letter_code": + return getSeqOneLetterCode(); + case "seq_one_letter_code_can": + return getSeqOneLetterCodeCan(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the template. + * This data item is a pointer to _ma_template_details.template_id + * in the MA_TEMPLATE_DETAILS category. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * Chemical sequence of the template expressed as string of one-letter amino acid / nucleotide codes. + * Modifications and non-standard amino acids are included as three-letter codes within parentheses. + * @return StrColumn + */ + public StrColumn getSeqOneLetterCode() { + return delegate.getColumn("seq_one_letter_code", DelegatingStrColumn::new); + } + + /** + * The canonical chemical sequence of the template expressed as string of one-letter amino acid / nucleotide codes. + * Modifications are coded as the parent amino acid / nucleotide where possible. + * @return StrColumn + */ + public StrColumn getSeqOneLetterCodeCan() { + return delegate.getColumn("seq_one_letter_code_can", DelegatingStrColumn::new); + } + + /** + * Additional details about the polymeric template. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplatePolySegment.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplatePolySegment.java new file mode 100644 index 000000000..4a4231ac4 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplatePolySegment.java @@ -0,0 +1,101 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_POLY_SEGMENT category record details about + * the segments of the structural templates used in the homology/comparative + * modeling. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplatePolySegment extends DelegatingCategory { + public MaTemplatePolySegment(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "template_id": + return getTemplateId(); + case "residue_number_begin": + return getResidueNumberBegin(); + case "residue_number_end": + return getResidueNumberEnd(); + case "residue_name_begin": + return getResidueNameBegin(); + case "residue_name_end": + return getResidueNameEnd(); + case "segment_length": + return getSegmentLength(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the template segment used in the modeling. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * An identifier to the full template. + * This data item is a pointer to _ma_template_poly.template_id + * in the MA_TEMPLATE_POLY category. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * The leading residue index for the template segment in the template structure. + * @return IntColumn + */ + public IntColumn getResidueNumberBegin() { + return delegate.getColumn("residue_number_begin", DelegatingIntColumn::new); + } + + /** + * The trailing residue index for the template segment in the template structure. + * @return IntColumn + */ + public IntColumn getResidueNumberEnd() { + return delegate.getColumn("residue_number_end", DelegatingIntColumn::new); + } + + /** + * The leading residue name (3-letter code) for the template segment + * in the template structure. + * @return StrColumn + */ + public StrColumn getResidueNameBegin() { + return delegate.getColumn("residue_name_begin", DelegatingStrColumn::new); + } + + /** + * The trailing residue name (3-letter code) for the template segment + * in the template structure. + * @return StrColumn + */ + public StrColumn getResidueNameEnd() { + return delegate.getColumn("residue_name_end", DelegatingStrColumn::new); + } + + /** + * The length of the template segment. + * @return IntColumn + */ + public IntColumn getSegmentLength() { + return delegate.getColumn("segment_length", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplateRefDbDetails.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateRefDbDetails.java new file mode 100644 index 000000000..a6a86f28a --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateRefDbDetails.java @@ -0,0 +1,78 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_REF_DB_DETAILS category record details about + * the structural templates obtained from the reference database. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplateRefDbDetails extends DelegatingCategory { + public MaTemplateRefDbDetails(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "template_id": + return getTemplateId(); + case "db_name": + return getDbName(); + case "db_name_other_details": + return getDbNameOtherDetails(); + case "db_accession_code": + return getDbAccessionCode(); + case "db_version_date": + return getDbVersionDate(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for this template record. This data item is a + * pointer to '_ma_template_details.template_id in the + * MA_TEMPLATE_DETAILS category. + * @return IntColumn + */ + public IntColumn getTemplateId() { + return delegate.getColumn("template_id", DelegatingIntColumn::new); + } + + /** + * The name of the reference database. + * @return StrColumn + */ + public StrColumn getDbName() { + return delegate.getColumn("db_name", DelegatingStrColumn::new); + } + + /** + * The name of the other reference database. + * @return StrColumn + */ + public StrColumn getDbNameOtherDetails() { + return delegate.getColumn("db_name_other_details", DelegatingStrColumn::new); + } + + /** + * The accession code corresponding to the reference database entry. + * @return StrColumn + */ + public StrColumn getDbAccessionCode() { + return delegate.getColumn("db_accession_code", DelegatingStrColumn::new); + } + + /** + * The version date of the reference database entry. + * @return StrColumn + */ + public StrColumn getDbVersionDate() { + return delegate.getColumn("db_version_date", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MaTemplateTransMatrix.java b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateTransMatrix.java new file mode 100644 index 000000000..a69edb636 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/MaTemplateTransMatrix.java @@ -0,0 +1,160 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the MA_TEMPLATE_TRANS_MATRIX category records the + * details of the transformation matrix applied to the structural template + * to generate the starting structure used in the current modeling. + * The template can be a polymer or a non-polymer and can be either + * referenced from an existing database or can be a customized + * template provided by the user. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class MaTemplateTransMatrix extends DelegatingCategory { + public MaTemplateTransMatrix(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "rot_matrix[1][1]": + return getRotMatrix11(); + case "rot_matrix[2][1]": + return getRotMatrix21(); + case "rot_matrix[3][1]": + return getRotMatrix31(); + case "rot_matrix[1][2]": + return getRotMatrix12(); + case "rot_matrix[2][2]": + return getRotMatrix22(); + case "rot_matrix[3][2]": + return getRotMatrix32(); + case "rot_matrix[1][3]": + return getRotMatrix13(); + case "rot_matrix[2][3]": + return getRotMatrix23(); + case "rot_matrix[3][3]": + return getRotMatrix33(); + case "tr_vector[1]": + return getTrVector1(); + case "tr_vector[2]": + return getTrVector2(); + case "tr_vector[3]": + return getTrVector3(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the transformation matrix. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix11() { + return delegate.getColumn("rot_matrix[1][1]", DelegatingFloatColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix21() { + return delegate.getColumn("rot_matrix[2][1]", DelegatingFloatColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix31() { + return delegate.getColumn("rot_matrix[3][1]", DelegatingFloatColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix12() { + return delegate.getColumn("rot_matrix[1][2]", DelegatingFloatColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix22() { + return delegate.getColumn("rot_matrix[2][2]", DelegatingFloatColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix32() { + return delegate.getColumn("rot_matrix[3][2]", DelegatingFloatColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix13() { + return delegate.getColumn("rot_matrix[1][3]", DelegatingFloatColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix23() { + return delegate.getColumn("rot_matrix[2][3]", DelegatingFloatColumn::new); + } + + /** + * Data item of the rotation matrix. + * @return FloatColumn + */ + public FloatColumn getRotMatrix33() { + return delegate.getColumn("rot_matrix[3][3]", DelegatingFloatColumn::new); + } + + /** + * Data item of the tranlation vector. + * @return FloatColumn + */ + public FloatColumn getTrVector1() { + return delegate.getColumn("tr_vector[1]", DelegatingFloatColumn::new); + } + + /** + * Data item of the tranlation vector. + * @return FloatColumn + */ + public FloatColumn getTrVector2() { + return delegate.getColumn("tr_vector[2]", DelegatingFloatColumn::new); + } + + /** + * Data item of the tranlation vector. + * @return FloatColumn + */ + public FloatColumn getTrVector3() { + return delegate.getColumn("tr_vector[3]", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MmCifBlock.java b/src/main/java/org/rcsb/cif/schema/mm/MmCifBlock.java index 6cd894768..3af22b65c 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/MmCifBlock.java +++ b/src/main/java/org/rcsb/cif/schema/mm/MmCifBlock.java @@ -694,8 +694,6 @@ protected Category createDelegate(String categoryName, Category category) { return getPdbxNmrSystematicChemShiftOffset(); case "pdbx_nmr_upload": return getPdbxNmrUpload(); - case "pdbx_audit_support": - return getPdbxAuditSupport(); case "pdbx_chem_comp_subcomponent_struct_conn": return getPdbxChemCompSubcomponentStructConn(); case "pdbx_chem_comp_subcomponent_entity_list": @@ -782,10 +780,14 @@ protected Category createDelegate(String categoryName, Category category) { return getEmEntityAssemblyMolwt(); case "em_entity_assembly_naturalsource": return getEmEntityAssemblyNaturalsource(); + case "em_entity_assembly_synthetic": + return getEmEntityAssemblySynthetic(); case "em_entity_assembly_recombinant": return getEmEntityAssemblyRecombinant(); case "em_virus_natural_host": return getEmVirusNaturalHost(); + case "em_virus_synthetic": + return getEmVirusSynthetic(); case "em_virus_shell": return getEmVirusShell(); case "em_specimen": @@ -866,6 +868,8 @@ protected Category createDelegate(String categoryName, Category category) { return getEmFigureDepositorInfo(); case "em_layer_lines_depositor_info": return getEmLayerLinesDepositorInfo(); + case "em_motion_correction": + return getEmMotionCorrection(); case "em_structure_factors_depositor_info": return getEmStructureFactorsDepositorInfo(); case "pdbx_seq_map_depositor_info": @@ -1114,6 +1118,10 @@ protected Category createDelegate(String categoryName, Category category) { return getPdbxAuditRevisionItem(); case "pdbx_supporting_exp_data_set": return getPdbxSupportingExpDataSet(); + case "pdbx_database_doi": + return getPdbxDatabaseDoi(); + case "pdbx_audit_conform": + return getPdbxAuditConform(); case "pdbx_serial_crystallography_measurement": return getPdbxSerialCrystallographyMeasurement(); case "pdbx_serial_crystallography_sample_delivery": @@ -1124,6 +1132,8 @@ protected Category createDelegate(String categoryName, Category category) { return getPdbxSerialCrystallographySampleDeliveryFixedTarget(); case "pdbx_serial_crystallography_data_reduction": return getPdbxSerialCrystallographyDataReduction(); + case "pdbx_audit_support": + return getPdbxAuditSupport(); case "pdbx_entity_branch_list": return getPdbxEntityBranchList(); case "pdbx_entity_branch_link": @@ -1136,6 +1146,66 @@ protected Category createDelegate(String categoryName, Category category) { return getPdbxChemCompRelated(); case "pdbx_chem_comp_atom_related": return getPdbxChemCompAtomRelated(); + case "pdbx_refln_signal_binning": + return getPdbxReflnSignalBinning(); + case "pdbx_sifts_xref_db": + return getPdbxSiftsXrefDb(); + case "pdbx_sifts_xref_db_segments": + return getPdbxSiftsXrefDbSegments(); + case "pdbx_sifts_unp_segments": + return getPdbxSiftsUnpSegments(); + case "pdbx_data_usage": + return getPdbxDataUsage(); + case "pdbx_entity_remapping": + return getPdbxEntityRemapping(); + case "pdbx_chain_remapping": + return getPdbxChainRemapping(); + case "pdbx_initial_refinement_model": + return getPdbxInitialRefinementModel(); + case "pdbx_investigation": + return getPdbxInvestigation(); + case "pdbx_chem_comp_pcm": + return getPdbxChemCompPcm(); + case "pdbx_modification_feature": + return getPdbxModificationFeature(); + case "pdbx_diffrn_batch": + return getPdbxDiffrnBatch(); + case "pdbx_diffrn_cell": + return getPdbxDiffrnCell(); + case "pdbx_diffrn_orientation": + return getPdbxDiffrnOrientation(); + case "pdbx_diffrn_batch_scan": + return getPdbxDiffrnBatchScan(); + case "pdbx_diffrn_detector_panel_mapping": + return getPdbxDiffrnDetectorPanelMapping(); + case "diffrn_scan": + return getDiffrnScan(); + case "diffrn_scan_axis": + return getDiffrnScanAxis(); + case "diffrn_scan_collection": + return getDiffrnScanCollection(); + case "diffrn_scan_frame": + return getDiffrnScanFrame(); + case "diffrn_scan_frame_axis": + return getDiffrnScanFrameAxis(); + case "array_intensities": + return getArrayIntensities(); + case "array_structure": + return getArrayStructure(); + case "array_data": + return getArrayData(); + case "array_structure_list": + return getArrayStructureList(); + case "array_structure_list_axis": + return getArrayStructureListAxis(); + case "array_structure_list_section": + return getArrayStructureListSection(); + case "diffrn_data_frame": + return getDiffrnDataFrame(); + case "diffrn_detector_axis": + return getDiffrnDetectorAxis(); + case "diffrn_detector_element": + return getDiffrnDetectorElement(); case "ihm_entity_poly_segment": return getIhmEntityPolySegment(); case "ihm_starting_model_details": @@ -1166,6 +1236,8 @@ protected Category createDelegate(String categoryName, Category category) { return getIhmMultiStateModeling(); case "ihm_multi_state_model_group_link": return getIhmMultiStateModelGroupLink(); + case "ihm_ordered_model": + return getIhmOrderedModel(); case "ihm_ordered_ensemble": return getIhmOrderedEnsemble(); case "ihm_modeling_post_process": @@ -1286,6 +1358,132 @@ protected Category createDelegate(String categoryName, Category category) { return getIhmGeometricObjectPlane(); case "ihm_geometric_object_distance_restraint": return getIhmGeometricObjectDistanceRestraint(); + case "ihm_entry_collection": + return getIhmEntryCollection(); + case "ihm_entry_collection_mapping": + return getIhmEntryCollectionMapping(); + case "ihm_multi_state_scheme": + return getIhmMultiStateScheme(); + case "ihm_multi_state_scheme_connectivity": + return getIhmMultiStateSchemeConnectivity(); + case "ihm_kinetic_rate": + return getIhmKineticRate(); + case "ihm_relaxation_time": + return getIhmRelaxationTime(); + case "ihm_relaxation_time_multi_state_scheme": + return getIhmRelaxationTimeMultiStateScheme(); + case "ma_model_list": + return getMaModelList(); + case "ma_model_group": + return getMaModelGroup(); + case "ma_model_group_link": + return getMaModelGroupLink(); + case "ma_model_representative": + return getMaModelRepresentative(); + case "ma_template_details": + return getMaTemplateDetails(); + case "ma_template_poly": + return getMaTemplatePoly(); + case "ma_template_non_poly": + return getMaTemplateNonPoly(); + case "ma_template_branched": + return getMaTemplateBranched(); + case "ma_template_poly_segment": + return getMaTemplatePolySegment(); + case "ma_template_ref_db_details": + return getMaTemplateRefDbDetails(); + case "ma_template_customized": + return getMaTemplateCustomized(); + case "ma_template_trans_matrix": + return getMaTemplateTransMatrix(); + case "ma_target_entity": + return getMaTargetEntity(); + case "ma_target_entity_instance": + return getMaTargetEntityInstance(); + case "ma_target_ref_db_details": + return getMaTargetRefDbDetails(); + case "ma_target_template_poly_mapping": + return getMaTargetTemplatePolyMapping(); + case "ma_struct_assembly": + return getMaStructAssembly(); + case "ma_struct_assembly_details": + return getMaStructAssemblyDetails(); + case "ma_alignment_info": + return getMaAlignmentInfo(); + case "ma_alignment_details": + return getMaAlignmentDetails(); + case "ma_alignment": + return getMaAlignment(); + case "ma_template_coord": + return getMaTemplateCoord(); + case "ma_data": + return getMaData(); + case "ma_data_group": + return getMaDataGroup(); + case "ma_data_ref_db": + return getMaDataRefDb(); + case "ma_coevolution_seq_db_ref": + return getMaCoevolutionSeqDbRef(); + case "ma_coevolution_msa": + return getMaCoevolutionMsa(); + case "ma_coevolution_msa_details": + return getMaCoevolutionMsaDetails(); + case "ma_restraints": + return getMaRestraints(); + case "ma_distance_restraints": + return getMaDistanceRestraints(); + case "ma_angle_restraints": + return getMaAngleRestraints(); + case "ma_dihedral_restraints": + return getMaDihedralRestraints(); + case "ma_restraints_group": + return getMaRestraintsGroup(); + case "ma_protocol_step": + return getMaProtocolStep(); + case "ma_software_group": + return getMaSoftwareGroup(); + case "ma_software_parameter": + return getMaSoftwareParameter(); + case "ma_poly_template_library_details": + return getMaPolyTemplateLibraryDetails(); + case "ma_poly_template_library_list": + return getMaPolyTemplateLibraryList(); + case "ma_poly_template_library_components": + return getMaPolyTemplateLibraryComponents(); + case "ma_qa_metric": + return getMaQaMetric(); + case "ma_qa_metric_global": + return getMaQaMetricGlobal(); + case "ma_qa_metric_local": + return getMaQaMetricLocal(); + case "ma_qa_metric_local_pairwise": + return getMaQaMetricLocalPairwise(); + case "ma_feature_list": + return getMaFeatureList(); + case "ma_atom_feature": + return getMaAtomFeature(); + case "ma_poly_residue_feature": + return getMaPolyResidueFeature(); + case "ma_entity_instance_feature": + return getMaEntityInstanceFeature(); + case "ma_qa_metric_feature": + return getMaQaMetricFeature(); + case "ma_qa_metric_feature_pairwise": + return getMaQaMetricFeaturePairwise(); + case "ma_entry_associated_files": + return getMaEntryAssociatedFiles(); + case "ma_associated_archive_file_details": + return getMaAssociatedArchiveFileDetails(); + case "ma_chem_comp_descriptor": + return getMaChemCompDescriptor(); + case "ma_qa_metric_dihedral": + return getMaQaMetricDihedral(); + case "ma_energy_estimates": + return getMaEnergyEstimates(); + case "ma_energy_estimates_value": + return getMaEnergyEstimatesValue(); + case "ma_experimental_validation": + return getMaExperimentalValidation(); default: return new DelegatingCategory(category); } @@ -1300,6 +1498,11 @@ protected Category createDelegate(String categoryName, Category category) { * The data items for describing anisotropic atomic * displacement factors are only used if the corresponding items * are not given in the ATOM_SITE_ANISOTROP category. + * + * wwPDB recommends wwPDB-assigned residue number, residue ID, + * and chain ID, _atom_site.auth_seq_id _atom_site.auth_comp_id, and + * _atom_site.auth_asym_id, respectively, to be used for publication + * materials. * @return AtomSite */ public AtomSite getAtomSite() { @@ -3753,7 +3956,8 @@ public NdbOriginalNdbCoordinates getNdbOriginalNdbCoordinates() { } /** - * + * The PDBX_ENTITY_NONPOLY category provides a mapping between + * entity and the nonpolymer component * @return PdbxEntityNonpoly */ public PdbxEntityNonpoly getPdbxEntityNonpoly() { @@ -4368,8 +4572,8 @@ public PdbxChemCompAudit getPdbxChemCompAudit() { * the asymmetric unit are considered. * * For those contacts not involving hydrogen a limit of - * 2.2 Angstroms is used. For contacts involving a hydrogen atom - * a cutoff of 1.6 Angstroms is used. + * 2.2 angstroms is used. For contacts involving a hydrogen atom + * a cutoff of 1.6 angstroms is used. * @return PdbxValidateCloseContact */ public PdbxValidateCloseContact getPdbxValidateCloseContact() { @@ -4383,8 +4587,8 @@ public PdbxValidateCloseContact getPdbxValidateCloseContact() { * approach by van der Waals contacts. Contacts with * for symmetry related contacts are considered. * For those contacts not involving hydrogen a limit of - * 2.2 Angstroms is used. For contacts involving a hydrogen atom - * a cutoff of 1.6Angstrom is used. + * 2.2 angstroms is used. For contacts involving a hydrogen atom + * a cutoff of 1.6 angstrom is used. * @return PdbxValidateSymmContact */ public PdbxValidateSymmContact getPdbxValidateSymmContact() { @@ -4402,7 +4606,7 @@ public PdbxValidateRmsdBond getPdbxValidateRmsdBond() { } /** - * Data items in the PDBX_VALIDATE_RMSD_ANGLE category list the + * Data items in the PDBX_VALIDATE_RMSD_ANGLE category list * the covalent bond angles found in an entry that have * values which deviate from expected values by more * than 6*rmsd for the particular entry from the expected standard @@ -5033,15 +5237,6 @@ public PdbxNmrUpload getPdbxNmrUpload() { return delegate.getCategory("pdbx_nmr_upload", PdbxNmrUpload::new); } - /** - * Data items in the PDBX_AUDIT_SUPPORT category record details about - * funding support for the entry. - * @return PdbxAuditSupport - */ - public PdbxAuditSupport getPdbxAuditSupport() { - return delegate.getCategory("pdbx_audit_support", PdbxAuditSupport::new); - } - /** * Data items in the pdbx_chem_comp_subcomponent_struct_conn * list the chemical interactions among the subcomponents in @@ -5095,7 +5290,7 @@ public PdbxEntitySrcSyn getPdbxEntitySrcSyn() { } /** - * Data items in the PDBX_ENTITY_POLY_COMP_LINK_LIST category enumerate the + * Data items in the PDBX_ENTITY_POLY_COMP_LINK_LIST category enumerate * the linkages between components within the polymer entity. * @return PdbxEntityPolyCompLinkList */ @@ -5444,6 +5639,15 @@ public EmEntityAssemblyNaturalsource getEmEntityAssemblyNaturalsource() { return delegate.getCategory("em_entity_assembly_naturalsource", EmEntityAssemblyNaturalsource::new); } + /** + * Data items in this category record taxonomic details about the synthetic source for EM + * assemblies and assembly components. + * @return EmEntityAssemblySynthetic + */ + public EmEntityAssemblySynthetic getEmEntityAssemblySynthetic() { + return delegate.getCategory("em_entity_assembly_synthetic", EmEntityAssemblySynthetic::new); + } + /** * Data items in this category record details * about recombinant expression of the assembly or assembly component. @@ -5461,6 +5665,14 @@ public EmVirusNaturalHost getEmVirusNaturalHost() { return delegate.getCategory("em_virus_natural_host", EmVirusNaturalHost::new); } + /** + * Data items in this category record details of a synthetic virus entity. + * @return EmVirusSynthetic + */ + public EmVirusSynthetic getEmVirusSynthetic() { + return delegate.getCategory("em_virus_synthetic", EmVirusSynthetic::new); + } + /** * Data items in the EMD_VIRUS_SHELL category record details * of the viral shell number, shell diameter, and icosahedral triangulation number. @@ -5804,6 +6016,15 @@ public EmLayerLinesDepositorInfo getEmLayerLinesDepositorInfo() { return delegate.getCategory("em_layer_lines_depositor_info", EmLayerLinesDepositorInfo::new); } + /** + * Data items in the EM_MOTION_CORRECTION category record details + * corrections made during imaging the sample in the electron microscope. + * @return EmMotionCorrection + */ + public EmMotionCorrection getEmMotionCorrection() { + return delegate.getCategory("em_motion_correction", EmMotionCorrection::new); + } + /** * Structure factor files associated with the EM entry * @return EmStructureFactorsDepositorInfo @@ -6137,8 +6358,8 @@ public PdbxViewCategoryGroup getPdbxViewCategoryGroup() { /** * Data items in the PDBX_VIEW_CATEGORY specify the categories * belonging to a category view group. An alias name for the - * the mmCIF category may also be specified for the each - * category in the view. + * mmCIF category may also be specified for the each category + * in the view. * @return PdbxViewCategory */ public PdbxViewCategory getPdbxViewCategory() { @@ -6148,8 +6369,8 @@ public PdbxViewCategory getPdbxViewCategory() { /** * Data items in the PDBX_VIEW_ITEM specify the mmCIF data items * belonging to a view category. An alias name for the - * the mmCIF item may be specified for the each item in the - * view category. The role of the item in the view category + * mmCIF item may be specified for the each item in the view + * category. The role of the item in the view category * can be designated as mandatory, optional, or hidden. * @return PdbxViewItem */ @@ -6552,8 +6773,8 @@ public PdbxValBond getPdbxValBond() { * assymetric unit of the entry that are in close contact. * * For those contacts not involving hydrogen a limit of - * 2.2 Angstroms is used. For contacts involving a hydrogen atom - * a cutoff of 1.6 Angstrom is used. + * 2.2 angstroms is used. For contacts involving a hydrogen atom + * a cutoff of 1.6 angstroms is used. * * This is a completely derived category. Do not edit. * @return PdbxValContact @@ -6567,8 +6788,8 @@ public PdbxValContact getPdbxValContact() { * contacts amoung non-bonded atoms. * * For those contacts not involving hydrogen a limit of - * 2.2 Angstroms is used. For contacts involving a hydrogen atom - * a cutoff of 1.6 Angstrom is used. + * 2.2 angstroms is used. For contacts involving a hydrogen atom + * a cutoff of 1.6 angstroms is used. * * This is a completely derived category. Do not edit. * @return PdbxValSymContact @@ -6995,6 +7216,25 @@ public PdbxSupportingExpDataSet getPdbxSupportingExpDataSet() { return delegate.getCategory("pdbx_supporting_exp_data_set", PdbxSupportingExpDataSet::new); } + /** + * Data items in the PDBX_DATABASE_DOI category record the + * DOI of this entry. + * @return PdbxDatabaseDoi + */ + public PdbxDatabaseDoi getPdbxDatabaseDoi() { + return delegate.getCategory("pdbx_database_doi", PdbxDatabaseDoi::new); + } + + /** + * Data items in the PDBX_AUDIT_CONFORM category describe the + * dictionary versions against which the data names appearing in + * the current data block are conformant. + * @return PdbxAuditConform + */ + public PdbxAuditConform getPdbxAuditConform() { + return delegate.getCategory("pdbx_audit_conform", PdbxAuditConform::new); + } + /** * Data items in the PDBX_SERIAL_CRYSTALLOGRAPHY_MEASUREMENT category record * details the beam that is impinging on the sample @@ -7041,6 +7281,15 @@ public PdbxSerialCrystallographyDataReduction getPdbxSerialCrystallographyDataRe return delegate.getCategory("pdbx_serial_crystallography_data_reduction", PdbxSerialCrystallographyDataReduction::new); } + /** + * Data items in the PDBX_AUDIT_SUPPORT category record details about + * funding support for the entry. + * @return PdbxAuditSupport + */ + public PdbxAuditSupport getPdbxAuditSupport() { + return delegate.getCategory("pdbx_audit_support", PdbxAuditSupport::new); + } + /** * Data items in the PDBX_ENTITY_BRANCH_LIST category specify the list * of monomers in a branched entity. Allowance is made for the possibility @@ -7097,6 +7346,366 @@ public PdbxChemCompAtomRelated getPdbxChemCompAtomRelated() { return delegate.getCategory("pdbx_chem_comp_atom_related", PdbxChemCompAtomRelated::new); } + /** + * The binning of the per-reflection signal generated by the + * software specified by _reflns.pdbx_signal_software_id. + * If any reflections have a signal >= to the highest threshold + * specified, an additional bin should be inferred to hold them. + * @return PdbxReflnSignalBinning + */ + public PdbxReflnSignalBinning getPdbxReflnSignalBinning() { + return delegate.getCategory("pdbx_refln_signal_binning", PdbxReflnSignalBinning::new); + } + + /** + * pdbx_sifts_xref_db describes residue-level cross-references to external databases. + * @return PdbxSiftsXrefDb + */ + public PdbxSiftsXrefDb getPdbxSiftsXrefDb() { + return delegate.getCategory("pdbx_sifts_xref_db", PdbxSiftsXrefDb::new); + } + + /** + * pdbx_sifts_xref_db_segments describes residue-range based cross-references to external databases. + * @return PdbxSiftsXrefDbSegments + */ + public PdbxSiftsXrefDbSegments getPdbxSiftsXrefDbSegments() { + return delegate.getCategory("pdbx_sifts_xref_db_segments", PdbxSiftsXrefDbSegments::new); + } + + /** + * pdbx_sifts_unp_segments describes residue-range based cross-references specific to UniProt. + * @return PdbxSiftsUnpSegments + */ + public PdbxSiftsUnpSegments getPdbxSiftsUnpSegments() { + return delegate.getCategory("pdbx_sifts_unp_segments", PdbxSiftsUnpSegments::new); + } + + /** + * The PDBX_DATA_USAGE category provides information on licensing + * an disclaimers of the file it is in + * @return PdbxDataUsage + */ + public PdbxDataUsage getPdbxDataUsage() { + return delegate.getCategory("pdbx_data_usage", PdbxDataUsage::new); + } + + /** + * When producing a biological assembly model file, data items in the pdbx_entity_remapping provide a mapping + * from the entity in original model file to this data file. + * @return PdbxEntityRemapping + */ + public PdbxEntityRemapping getPdbxEntityRemapping() { + return delegate.getCategory("pdbx_entity_remapping", PdbxEntityRemapping::new); + } + + /** + * When producing a biological assembly model file, data items in the pdbx_chain_remapping provide a mapping + * from the entity in original model file to this data file. + * @return PdbxChainRemapping + */ + public PdbxChainRemapping getPdbxChainRemapping() { + return delegate.getCategory("pdbx_chain_remapping", PdbxChainRemapping::new); + } + + /** + * Data items in the pdbx_initial_refinement_model record the starting model(s) used in structure determination. + * @return PdbxInitialRefinementModel + */ + public PdbxInitialRefinementModel getPdbxInitialRefinementModel() { + return delegate.getCategory("pdbx_initial_refinement_model", PdbxInitialRefinementModel::new); + } + + /** + * The PDBX_INVESTIGATION category provides a information of an investigation associated with this file. + * @return PdbxInvestigation + */ + public PdbxInvestigation getPdbxInvestigation() { + return delegate.getCategory("pdbx_investigation", PdbxInvestigation::new); + } + + /** + * Data items in the PDBX_CHEM_COMP_PCM category provide + * information about the protein modifications that are described + * by the chemical component. + * @return PdbxChemCompPcm + */ + public PdbxChemCompPcm getPdbxChemCompPcm() { + return delegate.getCategory("pdbx_chem_comp_pcm", PdbxChemCompPcm::new); + } + + /** + * Data items in the PDBX_MODIFICATION_FEATURE category provides + * information about all the protein modifications that have been + * modeled in the entry. + * @return PdbxModificationFeature + */ + public PdbxModificationFeature getPdbxModificationFeature() { + return delegate.getCategory("pdbx_modification_feature", PdbxModificationFeature::new); + } + + /** + * Data items in the PDBX_DIFFRN_BATCH category provide a + * mechanism to describe common characteristics of a group of + * reflections within the DIFFRN_REFLN category. + * + * This grouping can be due to reflections occuring on the + * same image, within the same lattice, on the same + * detector panel or a combination of these. + * @return PdbxDiffrnBatch + */ + public PdbxDiffrnBatch getPdbxDiffrnBatch() { + return delegate.getCategory("pdbx_diffrn_batch", PdbxDiffrnBatch::new); + } + + /** + * Data items in the PDBX_DIFFRN_CELL category record details about + * a particular set of unit cell parameters. + * @return PdbxDiffrnCell + */ + public PdbxDiffrnCell getPdbxDiffrnCell() { + return delegate.getCategory("pdbx_diffrn_cell", PdbxDiffrnCell::new); + } + + /** + * Data items in the PDBX_DIFFRN_ORIENTATION category record details about + * a particular crystal orientation. + * @return PdbxDiffrnOrientation + */ + public PdbxDiffrnOrientation getPdbxDiffrnOrientation() { + return delegate.getCategory("pdbx_diffrn_orientation", PdbxDiffrnOrientation::new); + } + + /** + * Data items in the PDBX_DIFFRN_BATCH_SCAN category provide a + * mechanism to associate derived quantities + * (PDBX_DIFFRACTION_BATCH category) with experimental + * information about scans within the DIFFRN_SCAN + * category. + * @return PdbxDiffrnBatchScan + */ + public PdbxDiffrnBatchScan getPdbxDiffrnBatchScan() { + return delegate.getCategory("pdbx_diffrn_batch_scan", PdbxDiffrnBatchScan::new); + } + + /** + * Data items in the PDBX_DIFFRN_DETECTOR_PANEL_MAPPING category provide + * a mechanism to associate detector panel information with an actual + * detector. + * @return PdbxDiffrnDetectorPanelMapping + */ + public PdbxDiffrnDetectorPanelMapping getPdbxDiffrnDetectorPanelMapping() { + return delegate.getCategory("pdbx_diffrn_detector_panel_mapping", PdbxDiffrnDetectorPanelMapping::new); + } + + /** + * Data items in the DIFFRN_SCAN category describe the parameters of one + * or more scans, relating axis positions to frames. + * @return DiffrnScan + */ + public DiffrnScan getDiffrnScan() { + return delegate.getCategory("diffrn_scan", DiffrnScan::new); + } + + /** + * Data items in the DIFFRN_SCAN_AXIS category describe the settings of + * axes for particular scans. Unspecified axes are assumed to be at + * their zero points. + * @return DiffrnScanAxis + */ + public DiffrnScanAxis getDiffrnScanAxis() { + return delegate.getCategory("diffrn_scan_axis", DiffrnScanAxis::new); + } + + /** + * Data items in the DIFFRN_SCAN_COLLECTION category describe + * the collection strategy for each scan. + * + * This category is a preliminary version being developed as + * synchrotron and XFEL collection strategies evolve. + * @return DiffrnScanCollection + */ + public DiffrnScanCollection getDiffrnScanCollection() { + return delegate.getCategory("diffrn_scan_collection", DiffrnScanCollection::new); + } + + /** + * Data items in the DIFFRN_SCAN_FRAME category describe + * the relationships of particular frames to scans. + * @return DiffrnScanFrame + */ + public DiffrnScanFrame getDiffrnScanFrame() { + return delegate.getCategory("diffrn_scan_frame", DiffrnScanFrame::new); + } + + /** + * Data items in the DIFFRN_SCAN_FRAME_AXIS category describe the + * settings of axes for particular frames. Unspecified axes are + * assumed to be at their zero points. If, for any given frame, + * nonzero values apply for any of the data items in this category, + * those values should be given explicitly in this category and not + * simply inferred from values in DIFFRN_SCAN_AXIS. + * @return DiffrnScanFrameAxis + */ + public DiffrnScanFrameAxis getDiffrnScanFrameAxis() { + return delegate.getCategory("diffrn_scan_frame_axis", DiffrnScanFrameAxis::new); + } + + /** + * Data items in the ARRAY_INTENSITIES category record the + * information required to recover the intensity data from + * the set of data values stored in the ARRAY_DATA category. + * + * The detector may have a complex relationship + * between the raw intensity values and the number of + * incident photons. In most cases, the number stored + * in the final array will have a simple linear relationship + * to the actual number of incident photons, given by + * _array_intensities.gain. If raw, uncorrected values + * are presented (e.g. for calibration experiments), the + * value of _array_intensities.linearity will be 'raw' + * and _array_intensities.gain will not be used. + * @return ArrayIntensities + */ + public ArrayIntensities getArrayIntensities() { + return delegate.getCategory("array_intensities", ArrayIntensities::new); + } + + /** + * Data items in the ARRAY_STRUCTURE category record the organization and + * encoding of array data that may be stored in the ARRAY_DATA category. + * @return ArrayStructure + */ + public ArrayStructure getArrayStructure() { + return delegate.getCategory("array_structure", ArrayStructure::new); + } + + /** + * Data items in the ARRAY_DATA category are the containers for + * the array data items described in the category ARRAY_STRUCTURE. + * + * It is recognized that the data in this category need to be used in + * two distinct ways. During a data collection the lack of ancillary + * data and timing constraints in processing data may dictate the + * need to make a 'miniCBF', nothing more than an essential minimum + * of information to record the results of the data collection. In that + * case it is proper to use the ARRAY_DATA category as a + * container for just a single image and a compacted, beamline-dependent + * list of data collection parameter values. In such + * a case, only the tags '_array_data.header_convention', + * '_array_data.header_contents' and '_array_data.data' need be + * populated. + * + * For full processing and archiving, most of the tags in this + * dictionary will need to be populated. + * @return ArrayData + */ + public ArrayData getArrayData() { + return delegate.getCategory("array_data", ArrayData::new); + } + + /** + * Data items in the ARRAY_STRUCTURE_LIST category record the size + * and organization of each array dimension. + * + * The relationship to physical axes may be given. + * @return ArrayStructureList + */ + public ArrayStructureList getArrayStructureList() { + return delegate.getCategory("array_structure_list", ArrayStructureList::new); + } + + /** + * Data items in the ARRAY_STRUCTURE_LIST_AXIS category describe + * the physical settings of sets of axes for the centres of pixels that + * correspond to data points described in the + * ARRAY_STRUCTURE_LIST category. + * + * In the simplest cases, the physical increments of a single axis correspond + * to the increments of a single array index. More complex organizations, + * e.g. spiral scans, may require coupled motions along multiple axes. + * + * Note that a spiral scan uses two coupled axes: one for the angular + * direction and one for the radial direction. This differs from a + * cylindrical scan for which the two axes are not coupled into one + * set. + * + * Axes may be specified either for an entire array or for just a section + * of an array. + * @return ArrayStructureListAxis + */ + public ArrayStructureListAxis getArrayStructureListAxis() { + return delegate.getCategory("array_structure_list_axis", ArrayStructureListAxis::new); + } + + /** + * Data items in the ARRAY_STRUCTURE_LIST_SECTION category identify + * the dimension-by-dimension start, end and stride of each section of an + * array that is to be referenced. + * + * For any array with identifier ARRAYID, array section ids of the form + * ARRAYID(start1:end1:stride1,start2:end2:stride2, ...) are defined + * by default. + * + * For the given index, the elements in the section are of indices: + * _array_structure_list_section.start, + * _array_structure_list_section.start + _array_structure_list_section.stride, + * _array_structure_list_section.start + 2*_array_structure_list_section.stride, + * ... + * + * stopping either when the indices leave the limits of the indices + * of that dimension or + * [min(_array_structure_list_section.start, _array_structure_list_section.end), + * max(_array_structure_list_section.start, _array_structure_list_section.end)]. + * + * + * The ordering of these elements is determined by the overall ordering of + * _array_structure_list_section.array_id and not by the ordering implied + * by the stride. + * @return ArrayStructureListSection + */ + public ArrayStructureListSection getArrayStructureListSection() { + return delegate.getCategory("array_structure_list_section", ArrayStructureListSection::new); + } + + /** + * Data items in the DIFFRN_DATA_FRAME category record + * the details about each frame of data. + * + * The items in this category were previously in a + * DIFFRN_FRAME_DATA category, which is now deprecated. + * The items from the old category are provided + * as aliases but should not be used for new work. + * @return DiffrnDataFrame + */ + public DiffrnDataFrame getDiffrnDataFrame() { + return delegate.getCategory("diffrn_data_frame", DiffrnDataFrame::new); + } + + /** + * Data items in the DIFFRN_DETECTOR_AXIS category associate + * axes with detectors. + * @return DiffrnDetectorAxis + */ + public DiffrnDetectorAxis getDiffrnDetectorAxis() { + return delegate.getCategory("diffrn_detector_axis", DiffrnDetectorAxis::new); + } + + /** + * Data items in the DIFFRN_DETECTOR_ELEMENT category record + * the details about spatial layout and other characteristics + * of each element of a detector which may have multiple elements. + * + * In most cases, giving more detailed information + * in ARRAY_STRUCTURE_LIST and ARRAY_STRUCTURE_LIST_AXIS + * is preferable to simply providing the centre of the + * detector element. + * @return DiffrnDetectorElement + */ + public DiffrnDetectorElement getDiffrnDetectorElement() { + return delegate.getCategory("diffrn_detector_element", DiffrnDetectorElement::new); + } + /** * Data items in the IHM_ENTITY_POLY_SEGMENT category identifies * segments of polymeric entities. @@ -7248,11 +7857,23 @@ public IhmMultiStateModelGroupLink getIhmMultiStateModelGroupLink() { return delegate.getCategory("ihm_multi_state_model_group_link", IhmMultiStateModelGroupLink::new); } + /** + * Data items in the IHM_ORDERED_MODEL category records the + * details of the models ordered by time or other order. + * Ordered models are described as directed graphs with + * edges between nodes representing model groups. + * @return IhmOrderedModel + */ + public IhmOrderedModel getIhmOrderedModel() { + return delegate.getCategory("ihm_ordered_model", IhmOrderedModel::new); + } + /** * Data items in the IHM_ORDERED_ENSEMBLE category records the * details of the ensembles ordered by time or other order. * Ordered ensembles are described as directed graphs with * edges between nodes representing models or model groups. + * This category will be deprecated and superseded by ihm_ordered_model. * @return IhmOrderedEnsemble */ public IhmOrderedEnsemble getIhmOrderedEnsemble() { @@ -7290,7 +7911,7 @@ public IhmEnsembleSubSample getIhmEnsembleSubSample() { /** * Data items in the IHM_MODEL_LIST category record the - * details of the models being deposited. + * details of the structure models being deposited. * @return IhmModelList */ public IhmModelList getIhmModelList() { @@ -7299,7 +7920,7 @@ public IhmModelList getIhmModelList() { /** * IHM_MODEL_GROUP category defines collections or groups of integrative - * structural models. + * structure models. * @return IhmModelGroup */ public IhmModelGroup getIhmModelGroup() { @@ -7307,8 +7928,8 @@ public IhmModelGroup getIhmModelGroup() { } /** - * IHM_MODEL_GROUP_LINK category provides the list of models present in - * a particular model group. + * IHM_MODEL_GROUP_LINK category provides the list of structure models present in + * a particular structure model group. * @return IhmModelGroupLink */ public IhmModelGroupLink getIhmModelGroupLink() { @@ -7317,7 +7938,7 @@ public IhmModelGroupLink getIhmModelGroupLink() { /** * Data items in the IHM_MODEL_REPRESENTATIVE category record the - * details of the representative model in an ensemble or cluster. + * details of the representative structure model in an ensemble or cluster. * @return IhmModelRepresentative */ public IhmModelRepresentative getIhmModelRepresentative() { @@ -7863,4 +8484,654 @@ public IhmGeometricObjectDistanceRestraint getIhmGeometricObjectDistanceRestrain return delegate.getCategory("ihm_geometric_object_distance_restraint", IhmGeometricObjectDistanceRestraint::new); } + /** + * Data items in the IHM_ENTRY_COLLECTION category identify a + * collection of IHM entries belonging to a single deposition or group. + * @return IhmEntryCollection + */ + public IhmEntryCollection getIhmEntryCollection() { + return delegate.getCategory("ihm_entry_collection", IhmEntryCollection::new); + } + + /** + * Data items in the IHM_ENTRY_COLLECTION_MAPPING category identify the + * entries that belong to a collection. + * @return IhmEntryCollectionMapping + */ + public IhmEntryCollectionMapping getIhmEntryCollectionMapping() { + return delegate.getCategory("ihm_entry_collection_mapping", IhmEntryCollectionMapping::new); + } + + /** + * Data items in the IHM_MULTI_STATE_SCHEME category provide details about + * collection of multiple states that can form a connected/ordered scheme. + * @return IhmMultiStateScheme + */ + public IhmMultiStateScheme getIhmMultiStateScheme() { + return delegate.getCategory("ihm_multi_state_scheme", IhmMultiStateScheme::new); + } + + /** + * Data items in the IHM_MULTI_STATE_SCHEME_CONNECTIVITY category record the + * details of the ordered connectivities among states in a multi-state scheme. + * @return IhmMultiStateSchemeConnectivity + */ + public IhmMultiStateSchemeConnectivity getIhmMultiStateSchemeConnectivity() { + return delegate.getCategory("ihm_multi_state_scheme_connectivity", IhmMultiStateSchemeConnectivity::new); + } + + /** + * Data items in the IHM_KINETIC_RATE category records the + * details of kinetic rates obtained from biophysical experiments. + * @return IhmKineticRate + */ + public IhmKineticRate getIhmKineticRate() { + return delegate.getCategory("ihm_kinetic_rate", IhmKineticRate::new); + } + + /** + * Data items in the IHM_RELAXATION_TIME category records the details + * of the relaxation times obtained from biophysical experiments. + * @return IhmRelaxationTime + */ + public IhmRelaxationTime getIhmRelaxationTime() { + return delegate.getCategory("ihm_relaxation_time", IhmRelaxationTime::new); + } + + /** + * Data items in the IHM_RELAXATION_TIME_MULTI_STATE_SCHEME category map the experimentally + * measured relaxation times with the multi-state schemes. + * @return IhmRelaxationTimeMultiStateScheme + */ + public IhmRelaxationTimeMultiStateScheme getIhmRelaxationTimeMultiStateScheme() { + return delegate.getCategory("ihm_relaxation_time_multi_state_scheme", IhmRelaxationTimeMultiStateScheme::new); + } + + /** + * Data items in the MA_MODEL_LIST category record the + * details of the models being deposited. + * @return MaModelList + */ + public MaModelList getMaModelList() { + return delegate.getCategory("ma_model_list", MaModelList::new); + } + + /** + * MA_MODEL_GROUP category defines collections or groups of + * structure models. + * @return MaModelGroup + */ + public MaModelGroup getMaModelGroup() { + return delegate.getCategory("ma_model_group", MaModelGroup::new); + } + + /** + * MA_MODEL_GROUP_LINK category provides the list of structure models present in + * a particular structure model group. + * @return MaModelGroupLink + */ + public MaModelGroupLink getMaModelGroupLink() { + return delegate.getCategory("ma_model_group_link", MaModelGroupLink::new); + } + + /** + * Data items in the MA_MODEL_REPRESENTATIVE category record the + * details of the representative structure model when multiple models are submitted. + * @return MaModelRepresentative + */ + public MaModelRepresentative getMaModelRepresentative() { + return delegate.getCategory("ma_model_representative", MaModelRepresentative::new); + } + + /** + * Data items in the MA_TEMPLATE_DETAILS category record details about + * the structural templates used in to obtain the homology/comparative models. + * The template can be a polymer or a non-polymer and can be either + * referenced from an existing database or can be a customized + * template provided by the user. + * @return MaTemplateDetails + */ + public MaTemplateDetails getMaTemplateDetails() { + return delegate.getCategory("ma_template_details", MaTemplateDetails::new); + } + + /** + * Data items in the MA_TEMPLATE_POLY category record details about + * the polymeric structural templates used in homology/comparative modeling. + * @return MaTemplatePoly + */ + public MaTemplatePoly getMaTemplatePoly() { + return delegate.getCategory("ma_template_poly", MaTemplatePoly::new); + } + + /** + * Data items in the MA_TEMPLATE_NON_POLY category record details about + * the non-polymeric structural templates used in the homology/comparative + * modeling. + * @return MaTemplateNonPoly + */ + public MaTemplateNonPoly getMaTemplateNonPoly() { + return delegate.getCategory("ma_template_non_poly", MaTemplateNonPoly::new); + } + + /** + * Data items in the MA_TEMPLATE_BRANCHED category record details about + * the structural templates for branched polymers used in the + * homology/comparative modeling. + * The table can be populated using values from PDBx/mmCIF tables + * _pdbx_entity_branch_descriptor and _pdbx_entity_branch for the template, + * if available. + * @return MaTemplateBranched + */ + public MaTemplateBranched getMaTemplateBranched() { + return delegate.getCategory("ma_template_branched", MaTemplateBranched::new); + } + + /** + * Data items in the MA_TEMPLATE_POLY_SEGMENT category record details about + * the segments of the structural templates used in the homology/comparative + * modeling. + * @return MaTemplatePolySegment + */ + public MaTemplatePolySegment getMaTemplatePolySegment() { + return delegate.getCategory("ma_template_poly_segment", MaTemplatePolySegment::new); + } + + /** + * Data items in the MA_TEMPLATE_REF_DB_DETAILS category record details about + * the structural templates obtained from the reference database. + * @return MaTemplateRefDbDetails + */ + public MaTemplateRefDbDetails getMaTemplateRefDbDetails() { + return delegate.getCategory("ma_template_ref_db_details", MaTemplateRefDbDetails::new); + } + + /** + * Data items in the MA_TEMPLATE_CUSTOMIZED category record details about + * the customized structural templates that are not from a reference database. + * @return MaTemplateCustomized + */ + public MaTemplateCustomized getMaTemplateCustomized() { + return delegate.getCategory("ma_template_customized", MaTemplateCustomized::new); + } + + /** + * Data items in the MA_TEMPLATE_TRANS_MATRIX category records the + * details of the transformation matrix applied to the structural template + * to generate the starting structure used in the current modeling. + * The template can be a polymer or a non-polymer and can be either + * referenced from an existing database or can be a customized + * template provided by the user. + * @return MaTemplateTransMatrix + */ + public MaTemplateTransMatrix getMaTemplateTransMatrix() { + return delegate.getCategory("ma_template_trans_matrix", MaTemplateTransMatrix::new); + } + + /** + * Data items in the MA_TARGET_ENTITY category record details about + * the target entities. The details are provided for each entity + * being modeled. + * @return MaTargetEntity + */ + public MaTargetEntity getMaTargetEntity() { + return delegate.getCategory("ma_target_entity", MaTargetEntity::new); + } + + /** + * Data items in the MA_TARGET_ENTITY_INSTANCE category record details about + * the instances of target entities modeled. + * @return MaTargetEntityInstance + */ + public MaTargetEntityInstance getMaTargetEntityInstance() { + return delegate.getCategory("ma_target_entity_instance", MaTargetEntityInstance::new); + } + + /** + * Data items in the MA_TARGET_REF_DB_DETAILS category record details about + * the reference databases for the target sequences. + * @return MaTargetRefDbDetails + */ + public MaTargetRefDbDetails getMaTargetRefDbDetails() { + return delegate.getCategory("ma_target_ref_db_details", MaTargetRefDbDetails::new); + } + + /** + * Data items in the MA_TARGET_TEMPLATE_MAPPING category record details about + * the mappings of the polymeric targets to the structural templates. + * @return MaTargetTemplatePolyMapping + */ + public MaTargetTemplatePolyMapping getMaTargetTemplatePolyMapping() { + return delegate.getCategory("ma_target_template_poly_mapping", MaTargetTemplatePolyMapping::new); + } + + /** + * Data items in the MA_STRUCT_ASSEMBLY category records the + * details of the structural assemblies modeled. + * @return MaStructAssembly + */ + public MaStructAssembly getMaStructAssembly() { + return delegate.getCategory("ma_struct_assembly", MaStructAssembly::new); + } + + /** + * Data items in the MA_STRUCT_ASSEMBLY_DETAILS category provides + * additional details regarding the structure assembly. + * @return MaStructAssemblyDetails + */ + public MaStructAssemblyDetails getMaStructAssemblyDetails() { + return delegate.getCategory("ma_struct_assembly_details", MaStructAssemblyDetails::new); + } + + /** + * Data items in the MA_ALIGNMENT_INFO category record + * list of target-template alignments (pairwise as well as + * multiple-sequence alignments) used in the homology/comparative modeling. + * Additional details are included in the MA_ALIGNMENT_DETAILS category + * and the actual alignments are captured in the MA_ALIGNMENT category. + * @return MaAlignmentInfo + */ + public MaAlignmentInfo getMaAlignmentInfo() { + return delegate.getCategory("ma_alignment_info", MaAlignmentInfo::new); + } + + /** + * Data items in the MA_ALIGNMENT_DETAILS category record + * details of the target-template pairwise and multiple sequence + * alignments used in the homology/comparative modeling. + * The actual alignments are captured in the MA_ALIGNMENT category. + * @return MaAlignmentDetails + */ + public MaAlignmentDetails getMaAlignmentDetails() { + return delegate.getCategory("ma_alignment_details", MaAlignmentDetails::new); + } + + /** + * Data items in the MA_ALIGMNENT category record details about + * the relationship between the sequences of the target and the + * structural template obtained through multiple sequence alignment + * methods. Alignments can be fully gapped or partial. + * @return MaAlignment + */ + public MaAlignment getMaAlignment() { + return delegate.getCategory("ma_alignment", MaAlignment::new); + } + + /** + * Data items in the MA_TEMPLATE_COORD category records the coordinates + * for customized structural templates used in model building. These are + * provided by the user and not referenced from an existing database. + * @return MaTemplateCoord + */ + public MaTemplateCoord getMaTemplateCoord() { + return delegate.getCategory("ma_template_coord", MaTemplateCoord::new); + } + + /** + * Data items in the MA_DATA category capture the different kinds of + * data used in the modeling. These can be multiple sequence + * alignments, spatial restraints, template structures etc. + * @return MaData + */ + public MaData getMaData() { + return delegate.getCategory("ma_data", MaData::new); + } + + /** + * Data items in the MA_DATA_GROUP category describes the + * collection of data into groups so that they can be used + * efficiently in the MA_PROTOCOL_STEP category. + * @return MaDataGroup + */ + public MaDataGroup getMaDataGroup() { + return delegate.getCategory("ma_data_group", MaDataGroup::new); + } + + /** + * Data items in the MA_DATA_REF_DB category capture the details regarding + * reference databases used in the modeling. These include the + * sequence databases used for template search, alignments, etc. + * @return MaDataRefDb + */ + public MaDataRefDb getMaDataRefDb() { + return delegate.getCategory("ma_data_ref_db", MaDataRefDb::new); + } + + /** + * Data items in the MA_COEVOLUTION_SEQ_DB_REF category record details about + * the reference database identifiers for the sequences in the coevolution + * multiple sequence alignments. + * @return MaCoevolutionSeqDbRef + */ + public MaCoevolutionSeqDbRef getMaCoevolutionSeqDbRef() { + return delegate.getCategory("ma_coevolution_seq_db_ref", MaCoevolutionSeqDbRef::new); + } + + /** + * Data items in the MA_COEVOLUTION_MSA category record details about + * the coevolution multiple sequence alignments. + * @return MaCoevolutionMsa + */ + public MaCoevolutionMsa getMaCoevolutionMsa() { + return delegate.getCategory("ma_coevolution_msa", MaCoevolutionMsa::new); + } + + /** + * Data items in the MA_COEVOLUTION_MSA_DETAILS category record details about + * the coevolution MSA used in the modeling. + * @return MaCoevolutionMsaDetails + */ + public MaCoevolutionMsaDetails getMaCoevolutionMsaDetails() { + return delegate.getCategory("ma_coevolution_msa_details", MaCoevolutionMsaDetails::new); + } + + /** + * Data items in the MA_RESTRAINTS category provides the + * list of the different types of spatial restraints used + * in the modeling. + * @return MaRestraints + */ + public MaRestraints getMaRestraints() { + return delegate.getCategory("ma_restraints", MaRestraints::new); + } + + /** + * Data items in the MA_DISTANCE_RESTRAINTS category records the + * list of distance restraints used in the modeling. + * These distances can be atomic or residue-wise distances. + * This has been adapted from the widely used CASP RR format + * (http://www.predictioncenter.org/casp8/index.cgi?page=format#RR). + * These distances may be derived from various coevolution MSA or other + * exeperimental or computational methods. + * @return MaDistanceRestraints + */ + public MaDistanceRestraints getMaDistanceRestraints() { + return delegate.getCategory("ma_distance_restraints", MaDistanceRestraints::new); + } + + /** + * Data items in the MA_ANGLE_RESTRAINTS category captures the + * details of angle restraints between atoms. Each angle is spanned + * from atom one to atom three. Each atom defining the angle can be + * part of any entity present and does not originate in the same + * entity. + * @return MaAngleRestraints + */ + public MaAngleRestraints getMaAngleRestraints() { + return delegate.getCategory("ma_angle_restraints", MaAngleRestraints::new); + } + + /** + * Data items in the MA_DIHEDRAL_RESTRAINTS category captures the + * details of dihedral restraints between atoms. A dihedral is spanned + * sequentially from atom one to atom four. + * @return MaDihedralRestraints + */ + public MaDihedralRestraints getMaDihedralRestraints() { + return delegate.getCategory("ma_dihedral_restraints", MaDihedralRestraints::new); + } + + /** + * Data items in the MA_RESTRAINTS_GROUP category captures the + * details of groups of restraints used in the modeling. + * @return MaRestraintsGroup + */ + public MaRestraintsGroup getMaRestraintsGroup() { + return delegate.getCategory("ma_restraints_group", MaRestraintsGroup::new); + } + + /** + * Data items in the MA_PROTOCOL_STEP category captures the + * details of the modeling protocol and individial steps + * within each protocol. + * @return MaProtocolStep + */ + public MaProtocolStep getMaProtocolStep() { + return delegate.getCategory("ma_protocol_step", MaProtocolStep::new); + } + + /** + * Data items in the MA_SOFTWARE_GROUP category describes the + * collection of software into groups so that they can be used + * efficiently in the MA_PROTOCOL_STEP category. + * @return MaSoftwareGroup + */ + public MaSoftwareGroup getMaSoftwareGroup() { + return delegate.getCategory("ma_software_group", MaSoftwareGroup::new); + } + + /** + * Data items in the MA_SOFTWARE_PARAMETER category record the + * details of the software parameters used in the modeling + * protocol steps. + * @return MaSoftwareParameter + */ + public MaSoftwareParameter getMaSoftwareParameter() { + return delegate.getCategory("ma_software_parameter", MaSoftwareParameter::new); + } + + /** + * Data items in the MA_POLY_TEMPLATE_LIBRARY_DETAILS category record details + * about the polymeric template libraries used in the modeling. + * @return MaPolyTemplateLibraryDetails + */ + public MaPolyTemplateLibraryDetails getMaPolyTemplateLibraryDetails() { + return delegate.getCategory("ma_poly_template_library_details", MaPolyTemplateLibraryDetails::new); + } + + /** + * Data items in the MA_POLY_TEMPLATE_LIBRARY_LIST category carries the list of + * templates used to build a template library. + * @return MaPolyTemplateLibraryList + */ + public MaPolyTemplateLibraryList getMaPolyTemplateLibraryList() { + return delegate.getCategory("ma_poly_template_library_list", MaPolyTemplateLibraryList::new); + } + + /** + * Data items in the MA_POLY_TEMPLATE_LIBRARY_COMPONENTS category record details about + * the components in a template library. + * @return MaPolyTemplateLibraryComponents + */ + public MaPolyTemplateLibraryComponents getMaPolyTemplateLibraryComponents() { + return delegate.getCategory("ma_poly_template_library_components", MaPolyTemplateLibraryComponents::new); + } + + /** + * Data items in the MA_QA_METRIC category record the + * details of the metrics use to assess model quality. + * @return MaQaMetric + */ + public MaQaMetric getMaQaMetric() { + return delegate.getCategory("ma_qa_metric", MaQaMetric::new); + } + + /** + * Data items in the MA_QA_METRIC_GLOBAL category captures the + * details of the global QA metrics, calculated at the model-level. + * @return MaQaMetricGlobal + */ + public MaQaMetricGlobal getMaQaMetricGlobal() { + return delegate.getCategory("ma_qa_metric_global", MaQaMetricGlobal::new); + } + + /** + * Data items in the MA_QA_METRIC_LOCAL category captures the + * details of the local QA metrics, calculated at the residue-level. + * Data in this category can be extracted into a separate file which + * is linked to the main file using the categories + * ma_associated_archive_file_details or ma_entry_associated_files + * with file_content set to "QA metrics". + * @return MaQaMetricLocal + */ + public MaQaMetricLocal getMaQaMetricLocal() { + return delegate.getCategory("ma_qa_metric_local", MaQaMetricLocal::new); + } + + /** + * Data items in the MA_QA_METRIC_LOCAL_PAIRWISE category captures the + * details of the local QA metrics, calculated at the pairwise residue level. + * In cases where the metric is symmetric, it is enough to store just one value per pair. + * For asymmetric metrics, the order of residues is expected to be meaningful + * (e.g. PAE where PAE_ij is defined by aligning residue i (label_*_1) and measuring + * the error on residue j (label_*_2)). + * In all cases, it is perfectly valid to only provide values for a subset of residue pairs. + * Data in this category is expected to be very large and can be extracted into a + * separate file which is linked to the main file using the categories + * ma_associated_archive_file_details or ma_entry_associated_files with file_content + * set to "QA metrics". + * @return MaQaMetricLocalPairwise + */ + public MaQaMetricLocalPairwise getMaQaMetricLocalPairwise() { + return delegate.getCategory("ma_qa_metric_local_pairwise", MaQaMetricLocalPairwise::new); + } + + /** + * MA_FEATURE_LIST is the high level category that provides definitions + * to select atoms, polymeric residues, and entity instances (asym_ids) + * from all types of entities. + * @return MaFeatureList + */ + public MaFeatureList getMaFeatureList() { + return delegate.getCategory("ma_feature_list", MaFeatureList::new); + } + + /** + * Data items in the MA_ATOM_FEATURE category provides the definitions + * required to select specific atoms independent of entity type. + * @return MaAtomFeature + */ + public MaAtomFeature getMaAtomFeature() { + return delegate.getCategory("ma_atom_feature", MaAtomFeature::new); + } + + /** + * Data items in the MA_POLY_RESIDUE_FEATURE category provides the definitions + * required to select specific polymer residues. + * @return MaPolyResidueFeature + */ + public MaPolyResidueFeature getMaPolyResidueFeature() { + return delegate.getCategory("ma_poly_residue_feature", MaPolyResidueFeature::new); + } + + /** + * Data items in the MA_ENTITY_INSTANCE_FEATURE category provides the definitions + * required to select an entity instance (asym_id) feature. + * @return MaEntityInstanceFeature + */ + public MaEntityInstanceFeature getMaEntityInstanceFeature() { + return delegate.getCategory("ma_entity_instance_feature", MaEntityInstanceFeature::new); + } + + /** + * Data items in the MA_QA_METRIC_FEATURE category captures the + * QA metrics calculated per feature as defined in ma_feature_list. + * Data in this category can be extracted into a separate file which + * is linked to the main file using the categories + * ma_associated_archive_file_details or ma_entry_associated_files + * with file_content set to "QA metrics". + * @return MaQaMetricFeature + */ + public MaQaMetricFeature getMaQaMetricFeature() { + return delegate.getCategory("ma_qa_metric_feature", MaQaMetricFeature::new); + } + + /** + * Data items in the MA_QA_METRIC_FEATURE_PAIRWISE category captures the + * QA metrics calculated per pair of features as defined in ma_feature_list. + * In cases where the metric is symmetric, it is enough to store just one value per pair. + * For asymmetric metrics, the order of features is expected to be meaningful + * (e.g. PAE where PAE_ij is defined by aligning token i (feature_id_1) and measuring + * the error on token j (feature_id_2)). + * It is valid to only provide values for a subset of feature pairs. + * Data in this category is expected to be very large and can be extracted into a + * separate file which is linked to the main file using the categories + * ma_associated_archive_file_details or ma_entry_associated_files with file_content + * set to "QA metrics". + * @return MaQaMetricFeaturePairwise + */ + public MaQaMetricFeaturePairwise getMaQaMetricFeaturePairwise() { + return delegate.getCategory("ma_qa_metric_feature_pairwise", MaQaMetricFeaturePairwise::new); + } + + /** + * Data items in the MA_ENTRY_ASSOCIATED_FILES category record the + * details of additional files associated with the entry. These may + * be multiple sequence alignment files, restraint data files, files + * containing quality assessment scores, or validation reports. The + * files may be listed separately or as an archive file (zip/gzip). + * @return MaEntryAssociatedFiles + */ + public MaEntryAssociatedFiles getMaEntryAssociatedFiles() { + return delegate.getCategory("ma_entry_associated_files", MaEntryAssociatedFiles::new); + } + + /** + * Data items in the MA_ASSOCIATED_ARCHIVE_FILE_DETAILS category record the + * details of files within an associated archive file (zip/gzip). These may + * be multiple sequence alignment files, restraint data files, files + * containing quality assessment scores, or validation reports. + * @return MaAssociatedArchiveFileDetails + */ + public MaAssociatedArchiveFileDetails getMaAssociatedArchiveFileDetails() { + return delegate.getCategory("ma_associated_archive_file_details", MaAssociatedArchiveFileDetails::new); + } + + /** + * Data items in the MA_CHEM_COMP_DESCRIPTOR category record the + * details of the chemical components that are defined locally + * within the mmCIF file instance. + * @return MaChemCompDescriptor + */ + public MaChemCompDescriptor getMaChemCompDescriptor() { + return delegate.getCategory("ma_chem_comp_descriptor", MaChemCompDescriptor::new); + } + + /** + * Data items in the MA_QA_METRIC_DIHEDRAL category capture the analysis of + * individual torsion angles of a molecule. This analysis may involve dihedral + * scanning using quantum-mechanical calculations, or a comparison of torsion + * angle values with probability distributions obtained from experimental data + * (e.g. TorsionAnalyzer). Here, the main output is not the value from the + * analysis, but rather a quality classification resulting from an assessment + * of the energetic state or likelihood of each dihedral angle. + * @return MaQaMetricDihedral + */ + public MaQaMetricDihedral getMaQaMetricDihedral() { + return delegate.getCategory("ma_qa_metric_dihedral", MaQaMetricDihedral::new); + } + + /** + * Data items in the MA_ENERGY_ESTIMATES category record the details of the + * type of energy estimate calculated for the stored models. + * @return MaEnergyEstimates + */ + public MaEnergyEstimates getMaEnergyEstimates() { + return delegate.getCategory("ma_energy_estimates", MaEnergyEstimates::new); + } + + /** + * Data items in the MA_ENERGY_ESTIMATES_VALUE category record the values + * per model or feature for a given energy estimate. Additional + * data items in the MA_ENERGY_ESTIMATES can be added if needed. + * @return MaEnergyEstimatesValue + */ + public MaEnergyEstimatesValue getMaEnergyEstimatesValue() { + return delegate.getCategory("ma_energy_estimates_value", MaEnergyEstimatesValue::new); + } + + /** + * Data items in the MA_EXPERIMENTAL_VALIDATION category describe how the existence + * of the modeled system was experimentally validated, often through multiple + * complementary experiments. The aim is to provide experimental evidence supporting + * the biological plausibility of the input, such as entities forming a complex with + * a specific stoichiometry or designed proteins being able to fold. It can also include + * negative evidence (e.g. for models used to distinguish positive and negative results). + * It is not meant to capture experimental data used in modeling (e.g. via spatial restraints). + * @return MaExperimentalValidation + */ + public MaExperimentalValidation getMaExperimentalValidation() { + return delegate.getCategory("ma_experimental_validation", MaExperimentalValidation::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MmCifBlockBuilder.java b/src/main/java/org/rcsb/cif/schema/mm/MmCifBlockBuilder.java index 9bc8292d1..8bd8b5894 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/MmCifBlockBuilder.java +++ b/src/main/java/org/rcsb/cif/schema/mm/MmCifBlockBuilder.java @@ -1380,10 +1380,6 @@ public MmCifCategoryBuilder.PdbxNmrUploadBuilder enterPdbxNmrUpload() { return new MmCifCategoryBuilder.PdbxNmrUploadBuilder(this); } - public MmCifCategoryBuilder.PdbxAuditSupportBuilder enterPdbxAuditSupport() { - return new MmCifCategoryBuilder.PdbxAuditSupportBuilder(this); - } - public MmCifCategoryBuilder.PdbxChemCompSubcomponentStructConnBuilder enterPdbxChemCompSubcomponentStructConn() { return new MmCifCategoryBuilder.PdbxChemCompSubcomponentStructConnBuilder(this); } @@ -1556,6 +1552,10 @@ public MmCifCategoryBuilder.EmEntityAssemblyNaturalsourceBuilder enterEmEntityAs return new MmCifCategoryBuilder.EmEntityAssemblyNaturalsourceBuilder(this); } + public MmCifCategoryBuilder.EmEntityAssemblySyntheticBuilder enterEmEntityAssemblySynthetic() { + return new MmCifCategoryBuilder.EmEntityAssemblySyntheticBuilder(this); + } + public MmCifCategoryBuilder.EmEntityAssemblyRecombinantBuilder enterEmEntityAssemblyRecombinant() { return new MmCifCategoryBuilder.EmEntityAssemblyRecombinantBuilder(this); } @@ -1564,6 +1564,10 @@ public MmCifCategoryBuilder.EmVirusNaturalHostBuilder enterEmVirusNaturalHost() return new MmCifCategoryBuilder.EmVirusNaturalHostBuilder(this); } + public MmCifCategoryBuilder.EmVirusSyntheticBuilder enterEmVirusSynthetic() { + return new MmCifCategoryBuilder.EmVirusSyntheticBuilder(this); + } + public MmCifCategoryBuilder.EmVirusShellBuilder enterEmVirusShell() { return new MmCifCategoryBuilder.EmVirusShellBuilder(this); } @@ -1724,6 +1728,10 @@ public MmCifCategoryBuilder.EmLayerLinesDepositorInfoBuilder enterEmLayerLinesDe return new MmCifCategoryBuilder.EmLayerLinesDepositorInfoBuilder(this); } + public MmCifCategoryBuilder.EmMotionCorrectionBuilder enterEmMotionCorrection() { + return new MmCifCategoryBuilder.EmMotionCorrectionBuilder(this); + } + public MmCifCategoryBuilder.EmStructureFactorsDepositorInfoBuilder enterEmStructureFactorsDepositorInfo() { return new MmCifCategoryBuilder.EmStructureFactorsDepositorInfoBuilder(this); } @@ -2220,6 +2228,14 @@ public MmCifCategoryBuilder.PdbxSupportingExpDataSetBuilder enterPdbxSupportingE return new MmCifCategoryBuilder.PdbxSupportingExpDataSetBuilder(this); } + public MmCifCategoryBuilder.PdbxDatabaseDoiBuilder enterPdbxDatabaseDoi() { + return new MmCifCategoryBuilder.PdbxDatabaseDoiBuilder(this); + } + + public MmCifCategoryBuilder.PdbxAuditConformBuilder enterPdbxAuditConform() { + return new MmCifCategoryBuilder.PdbxAuditConformBuilder(this); + } + public MmCifCategoryBuilder.PdbxSerialCrystallographyMeasurementBuilder enterPdbxSerialCrystallographyMeasurement() { return new MmCifCategoryBuilder.PdbxSerialCrystallographyMeasurementBuilder(this); } @@ -2240,6 +2256,10 @@ public MmCifCategoryBuilder.PdbxSerialCrystallographyDataReductionBuilder enterP return new MmCifCategoryBuilder.PdbxSerialCrystallographyDataReductionBuilder(this); } + public MmCifCategoryBuilder.PdbxAuditSupportBuilder enterPdbxAuditSupport() { + return new MmCifCategoryBuilder.PdbxAuditSupportBuilder(this); + } + public MmCifCategoryBuilder.PdbxEntityBranchListBuilder enterPdbxEntityBranchList() { return new MmCifCategoryBuilder.PdbxEntityBranchListBuilder(this); } @@ -2264,6 +2284,126 @@ public MmCifCategoryBuilder.PdbxChemCompAtomRelatedBuilder enterPdbxChemCompAtom return new MmCifCategoryBuilder.PdbxChemCompAtomRelatedBuilder(this); } + public MmCifCategoryBuilder.PdbxReflnSignalBinningBuilder enterPdbxReflnSignalBinning() { + return new MmCifCategoryBuilder.PdbxReflnSignalBinningBuilder(this); + } + + public MmCifCategoryBuilder.PdbxSiftsXrefDbBuilder enterPdbxSiftsXrefDb() { + return new MmCifCategoryBuilder.PdbxSiftsXrefDbBuilder(this); + } + + public MmCifCategoryBuilder.PdbxSiftsXrefDbSegmentsBuilder enterPdbxSiftsXrefDbSegments() { + return new MmCifCategoryBuilder.PdbxSiftsXrefDbSegmentsBuilder(this); + } + + public MmCifCategoryBuilder.PdbxSiftsUnpSegmentsBuilder enterPdbxSiftsUnpSegments() { + return new MmCifCategoryBuilder.PdbxSiftsUnpSegmentsBuilder(this); + } + + public MmCifCategoryBuilder.PdbxDataUsageBuilder enterPdbxDataUsage() { + return new MmCifCategoryBuilder.PdbxDataUsageBuilder(this); + } + + public MmCifCategoryBuilder.PdbxEntityRemappingBuilder enterPdbxEntityRemapping() { + return new MmCifCategoryBuilder.PdbxEntityRemappingBuilder(this); + } + + public MmCifCategoryBuilder.PdbxChainRemappingBuilder enterPdbxChainRemapping() { + return new MmCifCategoryBuilder.PdbxChainRemappingBuilder(this); + } + + public MmCifCategoryBuilder.PdbxInitialRefinementModelBuilder enterPdbxInitialRefinementModel() { + return new MmCifCategoryBuilder.PdbxInitialRefinementModelBuilder(this); + } + + public MmCifCategoryBuilder.PdbxInvestigationBuilder enterPdbxInvestigation() { + return new MmCifCategoryBuilder.PdbxInvestigationBuilder(this); + } + + public MmCifCategoryBuilder.PdbxChemCompPcmBuilder enterPdbxChemCompPcm() { + return new MmCifCategoryBuilder.PdbxChemCompPcmBuilder(this); + } + + public MmCifCategoryBuilder.PdbxModificationFeatureBuilder enterPdbxModificationFeature() { + return new MmCifCategoryBuilder.PdbxModificationFeatureBuilder(this); + } + + public MmCifCategoryBuilder.PdbxDiffrnBatchBuilder enterPdbxDiffrnBatch() { + return new MmCifCategoryBuilder.PdbxDiffrnBatchBuilder(this); + } + + public MmCifCategoryBuilder.PdbxDiffrnCellBuilder enterPdbxDiffrnCell() { + return new MmCifCategoryBuilder.PdbxDiffrnCellBuilder(this); + } + + public MmCifCategoryBuilder.PdbxDiffrnOrientationBuilder enterPdbxDiffrnOrientation() { + return new MmCifCategoryBuilder.PdbxDiffrnOrientationBuilder(this); + } + + public MmCifCategoryBuilder.PdbxDiffrnBatchScanBuilder enterPdbxDiffrnBatchScan() { + return new MmCifCategoryBuilder.PdbxDiffrnBatchScanBuilder(this); + } + + public MmCifCategoryBuilder.PdbxDiffrnDetectorPanelMappingBuilder enterPdbxDiffrnDetectorPanelMapping() { + return new MmCifCategoryBuilder.PdbxDiffrnDetectorPanelMappingBuilder(this); + } + + public MmCifCategoryBuilder.DiffrnScanBuilder enterDiffrnScan() { + return new MmCifCategoryBuilder.DiffrnScanBuilder(this); + } + + public MmCifCategoryBuilder.DiffrnScanAxisBuilder enterDiffrnScanAxis() { + return new MmCifCategoryBuilder.DiffrnScanAxisBuilder(this); + } + + public MmCifCategoryBuilder.DiffrnScanCollectionBuilder enterDiffrnScanCollection() { + return new MmCifCategoryBuilder.DiffrnScanCollectionBuilder(this); + } + + public MmCifCategoryBuilder.DiffrnScanFrameBuilder enterDiffrnScanFrame() { + return new MmCifCategoryBuilder.DiffrnScanFrameBuilder(this); + } + + public MmCifCategoryBuilder.DiffrnScanFrameAxisBuilder enterDiffrnScanFrameAxis() { + return new MmCifCategoryBuilder.DiffrnScanFrameAxisBuilder(this); + } + + public MmCifCategoryBuilder.ArrayIntensitiesBuilder enterArrayIntensities() { + return new MmCifCategoryBuilder.ArrayIntensitiesBuilder(this); + } + + public MmCifCategoryBuilder.ArrayStructureBuilder enterArrayStructure() { + return new MmCifCategoryBuilder.ArrayStructureBuilder(this); + } + + public MmCifCategoryBuilder.ArrayDataBuilder enterArrayData() { + return new MmCifCategoryBuilder.ArrayDataBuilder(this); + } + + public MmCifCategoryBuilder.ArrayStructureListBuilder enterArrayStructureList() { + return new MmCifCategoryBuilder.ArrayStructureListBuilder(this); + } + + public MmCifCategoryBuilder.ArrayStructureListAxisBuilder enterArrayStructureListAxis() { + return new MmCifCategoryBuilder.ArrayStructureListAxisBuilder(this); + } + + public MmCifCategoryBuilder.ArrayStructureListSectionBuilder enterArrayStructureListSection() { + return new MmCifCategoryBuilder.ArrayStructureListSectionBuilder(this); + } + + public MmCifCategoryBuilder.DiffrnDataFrameBuilder enterDiffrnDataFrame() { + return new MmCifCategoryBuilder.DiffrnDataFrameBuilder(this); + } + + public MmCifCategoryBuilder.DiffrnDetectorAxisBuilder enterDiffrnDetectorAxis() { + return new MmCifCategoryBuilder.DiffrnDetectorAxisBuilder(this); + } + + public MmCifCategoryBuilder.DiffrnDetectorElementBuilder enterDiffrnDetectorElement() { + return new MmCifCategoryBuilder.DiffrnDetectorElementBuilder(this); + } + public MmCifCategoryBuilder.IhmEntityPolySegmentBuilder enterIhmEntityPolySegment() { return new MmCifCategoryBuilder.IhmEntityPolySegmentBuilder(this); } @@ -2324,6 +2464,10 @@ public MmCifCategoryBuilder.IhmMultiStateModelGroupLinkBuilder enterIhmMultiStat return new MmCifCategoryBuilder.IhmMultiStateModelGroupLinkBuilder(this); } + public MmCifCategoryBuilder.IhmOrderedModelBuilder enterIhmOrderedModel() { + return new MmCifCategoryBuilder.IhmOrderedModelBuilder(this); + } + public MmCifCategoryBuilder.IhmOrderedEnsembleBuilder enterIhmOrderedEnsemble() { return new MmCifCategoryBuilder.IhmOrderedEnsembleBuilder(this); } @@ -2564,4 +2708,256 @@ public MmCifCategoryBuilder.IhmGeometricObjectDistanceRestraintBuilder enterIhmG return new MmCifCategoryBuilder.IhmGeometricObjectDistanceRestraintBuilder(this); } + public MmCifCategoryBuilder.IhmEntryCollectionBuilder enterIhmEntryCollection() { + return new MmCifCategoryBuilder.IhmEntryCollectionBuilder(this); + } + + public MmCifCategoryBuilder.IhmEntryCollectionMappingBuilder enterIhmEntryCollectionMapping() { + return new MmCifCategoryBuilder.IhmEntryCollectionMappingBuilder(this); + } + + public MmCifCategoryBuilder.IhmMultiStateSchemeBuilder enterIhmMultiStateScheme() { + return new MmCifCategoryBuilder.IhmMultiStateSchemeBuilder(this); + } + + public MmCifCategoryBuilder.IhmMultiStateSchemeConnectivityBuilder enterIhmMultiStateSchemeConnectivity() { + return new MmCifCategoryBuilder.IhmMultiStateSchemeConnectivityBuilder(this); + } + + public MmCifCategoryBuilder.IhmKineticRateBuilder enterIhmKineticRate() { + return new MmCifCategoryBuilder.IhmKineticRateBuilder(this); + } + + public MmCifCategoryBuilder.IhmRelaxationTimeBuilder enterIhmRelaxationTime() { + return new MmCifCategoryBuilder.IhmRelaxationTimeBuilder(this); + } + + public MmCifCategoryBuilder.IhmRelaxationTimeMultiStateSchemeBuilder enterIhmRelaxationTimeMultiStateScheme() { + return new MmCifCategoryBuilder.IhmRelaxationTimeMultiStateSchemeBuilder(this); + } + + public MmCifCategoryBuilder.MaModelListBuilder enterMaModelList() { + return new MmCifCategoryBuilder.MaModelListBuilder(this); + } + + public MmCifCategoryBuilder.MaModelGroupBuilder enterMaModelGroup() { + return new MmCifCategoryBuilder.MaModelGroupBuilder(this); + } + + public MmCifCategoryBuilder.MaModelGroupLinkBuilder enterMaModelGroupLink() { + return new MmCifCategoryBuilder.MaModelGroupLinkBuilder(this); + } + + public MmCifCategoryBuilder.MaModelRepresentativeBuilder enterMaModelRepresentative() { + return new MmCifCategoryBuilder.MaModelRepresentativeBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplateDetailsBuilder enterMaTemplateDetails() { + return new MmCifCategoryBuilder.MaTemplateDetailsBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplatePolyBuilder enterMaTemplatePoly() { + return new MmCifCategoryBuilder.MaTemplatePolyBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplateNonPolyBuilder enterMaTemplateNonPoly() { + return new MmCifCategoryBuilder.MaTemplateNonPolyBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplateBranchedBuilder enterMaTemplateBranched() { + return new MmCifCategoryBuilder.MaTemplateBranchedBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplatePolySegmentBuilder enterMaTemplatePolySegment() { + return new MmCifCategoryBuilder.MaTemplatePolySegmentBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplateRefDbDetailsBuilder enterMaTemplateRefDbDetails() { + return new MmCifCategoryBuilder.MaTemplateRefDbDetailsBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplateCustomizedBuilder enterMaTemplateCustomized() { + return new MmCifCategoryBuilder.MaTemplateCustomizedBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplateTransMatrixBuilder enterMaTemplateTransMatrix() { + return new MmCifCategoryBuilder.MaTemplateTransMatrixBuilder(this); + } + + public MmCifCategoryBuilder.MaTargetEntityBuilder enterMaTargetEntity() { + return new MmCifCategoryBuilder.MaTargetEntityBuilder(this); + } + + public MmCifCategoryBuilder.MaTargetEntityInstanceBuilder enterMaTargetEntityInstance() { + return new MmCifCategoryBuilder.MaTargetEntityInstanceBuilder(this); + } + + public MmCifCategoryBuilder.MaTargetRefDbDetailsBuilder enterMaTargetRefDbDetails() { + return new MmCifCategoryBuilder.MaTargetRefDbDetailsBuilder(this); + } + + public MmCifCategoryBuilder.MaTargetTemplatePolyMappingBuilder enterMaTargetTemplatePolyMapping() { + return new MmCifCategoryBuilder.MaTargetTemplatePolyMappingBuilder(this); + } + + public MmCifCategoryBuilder.MaStructAssemblyBuilder enterMaStructAssembly() { + return new MmCifCategoryBuilder.MaStructAssemblyBuilder(this); + } + + public MmCifCategoryBuilder.MaStructAssemblyDetailsBuilder enterMaStructAssemblyDetails() { + return new MmCifCategoryBuilder.MaStructAssemblyDetailsBuilder(this); + } + + public MmCifCategoryBuilder.MaAlignmentInfoBuilder enterMaAlignmentInfo() { + return new MmCifCategoryBuilder.MaAlignmentInfoBuilder(this); + } + + public MmCifCategoryBuilder.MaAlignmentDetailsBuilder enterMaAlignmentDetails() { + return new MmCifCategoryBuilder.MaAlignmentDetailsBuilder(this); + } + + public MmCifCategoryBuilder.MaAlignmentBuilder enterMaAlignment() { + return new MmCifCategoryBuilder.MaAlignmentBuilder(this); + } + + public MmCifCategoryBuilder.MaTemplateCoordBuilder enterMaTemplateCoord() { + return new MmCifCategoryBuilder.MaTemplateCoordBuilder(this); + } + + public MmCifCategoryBuilder.MaDataBuilder enterMaData() { + return new MmCifCategoryBuilder.MaDataBuilder(this); + } + + public MmCifCategoryBuilder.MaDataGroupBuilder enterMaDataGroup() { + return new MmCifCategoryBuilder.MaDataGroupBuilder(this); + } + + public MmCifCategoryBuilder.MaDataRefDbBuilder enterMaDataRefDb() { + return new MmCifCategoryBuilder.MaDataRefDbBuilder(this); + } + + public MmCifCategoryBuilder.MaCoevolutionSeqDbRefBuilder enterMaCoevolutionSeqDbRef() { + return new MmCifCategoryBuilder.MaCoevolutionSeqDbRefBuilder(this); + } + + public MmCifCategoryBuilder.MaCoevolutionMsaBuilder enterMaCoevolutionMsa() { + return new MmCifCategoryBuilder.MaCoevolutionMsaBuilder(this); + } + + public MmCifCategoryBuilder.MaCoevolutionMsaDetailsBuilder enterMaCoevolutionMsaDetails() { + return new MmCifCategoryBuilder.MaCoevolutionMsaDetailsBuilder(this); + } + + public MmCifCategoryBuilder.MaRestraintsBuilder enterMaRestraints() { + return new MmCifCategoryBuilder.MaRestraintsBuilder(this); + } + + public MmCifCategoryBuilder.MaDistanceRestraintsBuilder enterMaDistanceRestraints() { + return new MmCifCategoryBuilder.MaDistanceRestraintsBuilder(this); + } + + public MmCifCategoryBuilder.MaAngleRestraintsBuilder enterMaAngleRestraints() { + return new MmCifCategoryBuilder.MaAngleRestraintsBuilder(this); + } + + public MmCifCategoryBuilder.MaDihedralRestraintsBuilder enterMaDihedralRestraints() { + return new MmCifCategoryBuilder.MaDihedralRestraintsBuilder(this); + } + + public MmCifCategoryBuilder.MaRestraintsGroupBuilder enterMaRestraintsGroup() { + return new MmCifCategoryBuilder.MaRestraintsGroupBuilder(this); + } + + public MmCifCategoryBuilder.MaProtocolStepBuilder enterMaProtocolStep() { + return new MmCifCategoryBuilder.MaProtocolStepBuilder(this); + } + + public MmCifCategoryBuilder.MaSoftwareGroupBuilder enterMaSoftwareGroup() { + return new MmCifCategoryBuilder.MaSoftwareGroupBuilder(this); + } + + public MmCifCategoryBuilder.MaSoftwareParameterBuilder enterMaSoftwareParameter() { + return new MmCifCategoryBuilder.MaSoftwareParameterBuilder(this); + } + + public MmCifCategoryBuilder.MaPolyTemplateLibraryDetailsBuilder enterMaPolyTemplateLibraryDetails() { + return new MmCifCategoryBuilder.MaPolyTemplateLibraryDetailsBuilder(this); + } + + public MmCifCategoryBuilder.MaPolyTemplateLibraryListBuilder enterMaPolyTemplateLibraryList() { + return new MmCifCategoryBuilder.MaPolyTemplateLibraryListBuilder(this); + } + + public MmCifCategoryBuilder.MaPolyTemplateLibraryComponentsBuilder enterMaPolyTemplateLibraryComponents() { + return new MmCifCategoryBuilder.MaPolyTemplateLibraryComponentsBuilder(this); + } + + public MmCifCategoryBuilder.MaQaMetricBuilder enterMaQaMetric() { + return new MmCifCategoryBuilder.MaQaMetricBuilder(this); + } + + public MmCifCategoryBuilder.MaQaMetricGlobalBuilder enterMaQaMetricGlobal() { + return new MmCifCategoryBuilder.MaQaMetricGlobalBuilder(this); + } + + public MmCifCategoryBuilder.MaQaMetricLocalBuilder enterMaQaMetricLocal() { + return new MmCifCategoryBuilder.MaQaMetricLocalBuilder(this); + } + + public MmCifCategoryBuilder.MaQaMetricLocalPairwiseBuilder enterMaQaMetricLocalPairwise() { + return new MmCifCategoryBuilder.MaQaMetricLocalPairwiseBuilder(this); + } + + public MmCifCategoryBuilder.MaFeatureListBuilder enterMaFeatureList() { + return new MmCifCategoryBuilder.MaFeatureListBuilder(this); + } + + public MmCifCategoryBuilder.MaAtomFeatureBuilder enterMaAtomFeature() { + return new MmCifCategoryBuilder.MaAtomFeatureBuilder(this); + } + + public MmCifCategoryBuilder.MaPolyResidueFeatureBuilder enterMaPolyResidueFeature() { + return new MmCifCategoryBuilder.MaPolyResidueFeatureBuilder(this); + } + + public MmCifCategoryBuilder.MaEntityInstanceFeatureBuilder enterMaEntityInstanceFeature() { + return new MmCifCategoryBuilder.MaEntityInstanceFeatureBuilder(this); + } + + public MmCifCategoryBuilder.MaQaMetricFeatureBuilder enterMaQaMetricFeature() { + return new MmCifCategoryBuilder.MaQaMetricFeatureBuilder(this); + } + + public MmCifCategoryBuilder.MaQaMetricFeaturePairwiseBuilder enterMaQaMetricFeaturePairwise() { + return new MmCifCategoryBuilder.MaQaMetricFeaturePairwiseBuilder(this); + } + + public MmCifCategoryBuilder.MaEntryAssociatedFilesBuilder enterMaEntryAssociatedFiles() { + return new MmCifCategoryBuilder.MaEntryAssociatedFilesBuilder(this); + } + + public MmCifCategoryBuilder.MaAssociatedArchiveFileDetailsBuilder enterMaAssociatedArchiveFileDetails() { + return new MmCifCategoryBuilder.MaAssociatedArchiveFileDetailsBuilder(this); + } + + public MmCifCategoryBuilder.MaChemCompDescriptorBuilder enterMaChemCompDescriptor() { + return new MmCifCategoryBuilder.MaChemCompDescriptorBuilder(this); + } + + public MmCifCategoryBuilder.MaQaMetricDihedralBuilder enterMaQaMetricDihedral() { + return new MmCifCategoryBuilder.MaQaMetricDihedralBuilder(this); + } + + public MmCifCategoryBuilder.MaEnergyEstimatesBuilder enterMaEnergyEstimates() { + return new MmCifCategoryBuilder.MaEnergyEstimatesBuilder(this); + } + + public MmCifCategoryBuilder.MaEnergyEstimatesValueBuilder enterMaEnergyEstimatesValue() { + return new MmCifCategoryBuilder.MaEnergyEstimatesValueBuilder(this); + } + + public MmCifCategoryBuilder.MaExperimentalValidationBuilder enterMaExperimentalValidation() { + return new MmCifCategoryBuilder.MaExperimentalValidationBuilder(this); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MmCifCategoryBuilder.java b/src/main/java/org/rcsb/cif/schema/mm/MmCifCategoryBuilder.java index 85fc11567..a84ba6f4b 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/MmCifCategoryBuilder.java +++ b/src/main/java/org/rcsb/cif/schema/mm/MmCifCategoryBuilder.java @@ -315,6 +315,10 @@ public StrColumnBuilder en return new StrColumnBuilderImpl<>(CATEGORY_NAME, "Wyckoff_symbol", this); } + public StrColumnBuilder enterPdbxAtomAmbiguity() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_atom_ambiguity", this); + } + public StrColumnBuilder enterAdpType() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "adp_type", this); } @@ -411,6 +415,26 @@ public StrColumnBuilder en return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_not_in_asym", this); } + public IntColumnBuilder enterPdbxLabelIndex() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_label_index", this); + } + + public StrColumnBuilder enterPdbxSiftsXrefDbName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_sifts_xref_db_name", this); + } + + public StrColumnBuilder enterPdbxSiftsXrefDbAcc() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_sifts_xref_db_acc", this); + } + + public StrColumnBuilder enterPdbxSiftsXrefDbNum() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_sifts_xref_db_num", this); + } + + public StrColumnBuilder enterPdbxSiftsXrefDbRes() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_sifts_xref_db_res", this); + } + public IntColumnBuilder enterIhmModelId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ihm_model_id", this); } @@ -1159,6 +1183,10 @@ public StrColumnBuilder enterP return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_unique_axis", this); } + public StrColumnBuilder enterPdbxEsdMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_esd_method", this); + } + } public static class CellMeasurementBuilder extends MmCifCategoryBuilder { @@ -1422,6 +1450,14 @@ public StrColumnBuilder en return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_nscnum", this); } + public StrColumnBuilder enterPdbxPcm() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_pcm", this); + } + + public StrColumnBuilder enterMaProvenance() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ma_provenance", this); + } + } public static class ChemCompAngleBuilder extends MmCifCategoryBuilder { @@ -1596,6 +1632,18 @@ public StrColumnBuilder(CATEGORY_NAME, "pdbx_stnd_atom_id", this); } + public StrColumnBuilder enterPdbxBackboneAtomFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_backbone_atom_flag", this); + } + + public StrColumnBuilder enterPdbxNTerminalAtomFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_n_terminal_atom_flag", this); + } + + public StrColumnBuilder enterPdbxCTerminalAtomFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_c_terminal_atom_flag", this); + } + } public static class ChemCompBondBuilder extends MmCifCategoryBuilder { @@ -2466,6 +2514,10 @@ public IntColumnBuilder en return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_database_id_PubMed", this); } + public StrColumnBuilder enterPdbxDatabaseIdPatent() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_database_id_patent", this); + } + public StrColumnBuilder enterUnpublishedFlag() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "unpublished_flag", this); } @@ -2663,6 +2715,14 @@ public StrColumnBuilder e return new StrColumnBuilderImpl<>(CATEGORY_NAME, "database_code", this); } + public StrColumnBuilder enterPdbxDatabaseAccession() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_database_accession", this); + } + + public StrColumnBuilder enterPdbxDOI() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_DOI", this); + } + } public static class DatabasePDBCaveatBuilder extends MmCifCategoryBuilder { @@ -3056,6 +3116,14 @@ public FloatColumnBuilder(CATEGORY_NAME, "pdbx_frequency", this); } + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterNumberOfAxes() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_of_axes", this); + } + } public static class DiffrnMeasurementBuilder extends MmCifCategoryBuilder { @@ -3434,6 +3502,14 @@ public StrColumnBuilder return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_id", this); } + public IntColumnBuilder enterPdbxImageId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_image_id", this); + } + + public FloatColumnBuilder enterPdbxScanAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_scan_angle", this); + } + public StrColumnBuilder enterClassCode() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "class_code", this); } @@ -3442,6 +3518,50 @@ public FloatColumnBuilder(CATEGORY_NAME, "intensity_u", this); } + public FloatColumnBuilder enterPdbxDetectorX() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_detector_x", this); + } + + public FloatColumnBuilder enterPdbxDetectorY() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_detector_y", this); + } + + public FloatColumnBuilder enterPdbxRotationAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_rotation_angle", this); + } + + public FloatColumnBuilder enterPdbxScaleValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_scale_value", this); + } + + public StrColumnBuilder enterFrameId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "frame_id", this); + } + + public StrColumnBuilder enterPdbxBatchId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_batch_id", this); + } + + public FloatColumnBuilder enterPdbxDetectorObsFast() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_detector_obs_fast", this); + } + + public FloatColumnBuilder enterPdbxDetectorObsSlow() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_detector_obs_slow", this); + } + + public FloatColumnBuilder enterPdbxDetectorCalcFast() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_detector_calc_fast", this); + } + + public FloatColumnBuilder enterPdbxDetectorCalcSlow() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_detector_calc_slow", this); + } + + public StrColumnBuilder enterPdbxPanelMappingId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_panel_mapping_id", this); + } + } public static class DiffrnReflnsBuilder extends MmCifCategoryBuilder { @@ -4059,6 +4179,10 @@ public StrColumnBuilder enter return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_DOI", this); } + public StrColumnBuilder enterMaCollectionId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ma_collection_id", this); + } + } public static class EntryLinkBuilder extends MmCifCategoryBuilder { @@ -4282,6 +4406,18 @@ public FloatColumnBuilder(CATEGORY_NAME, "pdbx_crystal_direction_3", this); } + public StrColumnBuilder enterPdbxMosaicMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_mosaic_method", this); + } + + public FloatColumnBuilder enterPdbxMosaicBlockSize() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_mosaic_block_size", this); + } + + public FloatColumnBuilder enterPdbxMosaicBlockSizeEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_mosaic_block_size_esd", this); + } + } public static class ExptlCrystalFaceBuilder extends MmCifCategoryBuilder { @@ -4380,10 +4516,6 @@ public StrColumnBuilder(CATEGORY_NAME, "seeding_ref", this); } - public FloatColumnBuilder enterTemp() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temp", this); - } - public StrColumnBuilder enterTempDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "temp_details", this); } @@ -4404,6 +4536,10 @@ public StrColumnBuilder(CATEGORY_NAME, "pdbx_pH_range", this); } + public FloatColumnBuilder enterTemp() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "temp", this); + } + } public static class ExptlCrystalGrowCompBuilder extends MmCifCategoryBuilder { @@ -6974,6 +7110,14 @@ public FloatColumnBuilder en return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "solvent_model_param_ksol", this); } + public FloatColumnBuilder enterCorrelationCoeffIToFcsqdWork() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correlation_coeff_I_to_Fcsqd_work", this); + } + + public FloatColumnBuilder enterCorrelationCoeffIToFcsqdFree() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correlation_coeff_I_to_Fcsqd_free", this); + } + public FloatColumnBuilder enterPdbxRComplete() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_R_complete", this); } @@ -7495,6 +7639,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "weight", this); } + public FloatColumnBuilder enterPdbxZscore() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Zscore", this); + } + public StrColumnBuilder enterPdbxRestraintFunction() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_restraint_function", this); } @@ -7642,10 +7790,6 @@ public FloatColumnBuilder(CATEGORY_NAME, "R_factor_obs", this); } - public FloatColumnBuilder enterRFactorRFree() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_R_free", this); - } - public FloatColumnBuilder enterRFactorRFreeError() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_R_free_error", this); } @@ -7682,6 +7826,22 @@ public FloatColumnBuilder(CATEGORY_NAME, "pdbx_R_complete", this); } + public FloatColumnBuilder enterCorrelationCoeffFoToFc() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correlation_coeff_Fo_to_Fc", this); + } + + public FloatColumnBuilder enterCorrelationCoeffFoToFcFree() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correlation_coeff_Fo_to_Fc_free", this); + } + + public FloatColumnBuilder enterCorrelationCoeffIToFcsqdWork() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correlation_coeff_I_to_Fcsqd_work", this); + } + + public FloatColumnBuilder enterCorrelationCoeffIToFcsqdFree() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "correlation_coeff_I_to_Fcsqd_free", this); + } + public IntColumnBuilder enterPdbxTotalNumberOfBinsUsed() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_total_number_of_bins_used", this); } @@ -7698,6 +7858,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "pdbx_fsc_free", this); } + public FloatColumnBuilder enterRFactorRFree() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "R_factor_R_free", this); + } + } public static class RefineOccupancyBuilder extends MmCifCategoryBuilder { @@ -8020,6 +8184,14 @@ public FloatColumnBuilder ent return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_sin_phase_calc", this); } + public FloatColumnBuilder enterPdbxSignal() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_signal", this); + } + + public StrColumnBuilder enterPdbxSignalStatus() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_signal_status", this); + } + } public static class ReflnSysAbsBuilder extends MmCifCategoryBuilder { @@ -8182,18 +8354,6 @@ public FloatColumnBuilder en return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_redundancy", this); } - public FloatColumnBuilder enterPdbxRmergeIObs() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rmerge_I_obs", this); - } - - public FloatColumnBuilder enterPdbxRmergeIAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rmerge_I_all", this); - } - - public FloatColumnBuilder enterPdbxRsymValue() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rsym_value", this); - } - public FloatColumnBuilder enterPdbxNetIOverAvSigmaI() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_netI_over_av_sigmaI", this); } @@ -8290,6 +8450,170 @@ public FloatColumnBuilder en return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rmerge_I_anomalous", this); } + public FloatColumnBuilder enterPdbxRmergeIObs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rmerge_I_obs", this); + } + + public FloatColumnBuilder enterPdbxRmergeIAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rmerge_I_all", this); + } + + public FloatColumnBuilder enterPdbxRsymValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rsym_value", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis1Ortho1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_1_ortho[1]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis1Ortho2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_1_ortho[2]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis1Ortho3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_1_ortho[3]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis2Ortho1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_2_ortho[1]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis2Ortho2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_2_ortho[2]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis2Ortho3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_2_ortho[3]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis3Ortho1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_3_ortho[1]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis3Ortho2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_3_ortho[2]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimitAxis3Ortho3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_axis_3_ortho[3]", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimit1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_1", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimit2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_2", this); + } + + public FloatColumnBuilder enterPdbxAnisoDiffractionLimit3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_diffraction_limit_3", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector1Ortho1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_1_ortho[1]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector1Ortho2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_1_ortho[2]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector1Ortho3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_1_ortho[3]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector2Ortho1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_2_ortho[1]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector2Ortho2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_2_ortho[2]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector2Ortho3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_2_ortho[3]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector3Ortho1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_3_ortho[1]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector3Ortho2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_3_ortho[2]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvector3Ortho3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvector_3_ortho[3]", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvalue1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvalue_1", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvalue2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvalue_2", this); + } + + public FloatColumnBuilder enterPdbxAnisoBTensorEigenvalue3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_aniso_B_tensor_eigenvalue_3", this); + } + + public StrColumnBuilder enterPdbxOrthogonalizationConvention() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_orthogonalization_convention", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleEllipsoidal() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_ellipsoidal", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleSpherical() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_spherical", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleEllipsoidalAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_ellipsoidal_anomalous", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleSphericalAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_spherical_anomalous", this); + } + + public FloatColumnBuilder enterPdbxRedundancyAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_redundancy_anomalous", this); + } + + public FloatColumnBuilder enterPdbxCCHalfAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_CC_half_anomalous", this); + } + + public FloatColumnBuilder enterPdbxAbsDiffOverSigmaAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_absDiff_over_sigma_anomalous", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_anomalous", this); + } + + public FloatColumnBuilder enterPdbxObservedSignalThreshold() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_observed_signal_threshold", this); + } + + public StrColumnBuilder enterPdbxSignalType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_signal_type", this); + } + + public StrColumnBuilder enterPdbxSignalDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_signal_details", this); + } + + public StrColumnBuilder enterPdbxSignalSoftwareId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_signal_software_id", this); + } + + public StrColumnBuilder enterPdbxCCSplitMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_CC_split_method", this); + } + } public static class ReflnsScaleBuilder extends MmCifCategoryBuilder { @@ -8360,10 +8684,6 @@ public IntColumnBuilder return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_unique_obs", this); } - public FloatColumnBuilder enterPercentPossibleAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_all", this); - } - public FloatColumnBuilder enterPercentPossibleObs() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_obs", this); } @@ -8376,14 +8696,6 @@ public FloatColumnBuilder(CATEGORY_NAME, "Rmerge_F_obs", this); } - public FloatColumnBuilder enterRmergeIAll() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_I_all", this); - } - - public FloatColumnBuilder enterRmergeIObs() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_I_obs", this); - } - public FloatColumnBuilder enterMeanIOverSigIGt() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "meanI_over_sigI_gt", this); } @@ -8420,10 +8732,6 @@ public FloatColumnBuilder(CATEGORY_NAME, "pdbx_redundancy", this); } - public FloatColumnBuilder enterPdbxRsymValue() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rsym_value", this); - } - public FloatColumnBuilder enterPdbxChiSquared() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_chi_squared", this); } @@ -8488,6 +8796,54 @@ public FloatColumnBuilder(CATEGORY_NAME, "pdbx_Rmerge_I_all_anomalous", this); } + public FloatColumnBuilder enterPercentPossibleAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_possible_all", this); + } + + public FloatColumnBuilder enterRmergeIAll() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_I_all", this); + } + + public FloatColumnBuilder enterRmergeIObs() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Rmerge_I_obs", this); + } + + public FloatColumnBuilder enterPdbxRsymValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_Rsym_value", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleEllipsoidal() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_ellipsoidal", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleSpherical() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_spherical", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleEllipsoidalAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_ellipsoidal_anomalous", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleSphericalAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_spherical_anomalous", this); + } + + public FloatColumnBuilder enterPdbxRedundancyAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_redundancy_anomalous", this); + } + + public FloatColumnBuilder enterPdbxCCHalfAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_CC_half_anomalous", this); + } + + public FloatColumnBuilder enterPdbxAbsDiffOverSigmaAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_absDiff_over_sigma_anomalous", this); + } + + public FloatColumnBuilder enterPdbxPercentPossibleAnomalous() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_percent_possible_anomalous", this); + } + } public static class SoftwareBuilder extends MmCifCategoryBuilder { @@ -8569,6 +8925,10 @@ public StrColumnBuilder en return new StrColumnBuilderImpl<>(CATEGORY_NAME, "version", this); } + public StrColumnBuilder enterPdbxReferenceDOI() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_reference_DOI", this); + } + public IntColumnBuilder enterPdbxOrdinal() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_ordinal", this); } @@ -8590,6 +8950,22 @@ public StrColumnBuilder ente return new StrColumnBuilderImpl<>(CATEGORY_NAME, "title", this); } + public FloatColumnBuilder enterPdbxCenterOfMassX() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_center_of_mass_x", this); + } + + public FloatColumnBuilder enterPdbxCenterOfMassY() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_center_of_mass_y", this); + } + + public FloatColumnBuilder enterPdbxCenterOfMassZ() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_center_of_mass_z", this); + } + + public StrColumnBuilder enterPdbxStructureDeterminationMethodology() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_structure_determination_methodology", this); + } + public StrColumnBuilder enterPdbxDescriptor() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pdbx_descriptor", this); } @@ -9804,8 +10180,8 @@ public StrColumnBuilder(CATEGORY_NAME, "ens_id", this); } - public StrColumnBuilder enterOperId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "oper_id", this); + public IntColumnBuilder enterOperId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "oper_id", this); } } @@ -9825,8 +10201,8 @@ public StrColumnBuilder(CATEGORY_NAME, "details", this); } - public StrColumnBuilder enterId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } public FloatColumnBuilder enterMatrix11() { @@ -11399,6 +11775,10 @@ public StrColumnBuilder(CATEGORY_NAME, "title_suppression", this); } + public StrColumnBuilder enterDateAcceptedTermsAndConditions() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "date_accepted_terms_and_conditions", this); + } + } public static class PdbxEntityNameBuilder extends MmCifCategoryBuilder { @@ -13213,6 +13593,10 @@ public IntColumnBuilder(CATEGORY_NAME, "hbond_type_28", this); } + public StrColumnBuilder enterHbondTypeLeontisWesthof() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "hbond_type_leontis_westhof", this); + } + } public static class NdbStructNaBasePairStepBuilder extends MmCifCategoryBuilder { @@ -13428,6 +13812,10 @@ public StrColumnBuilder(CATEGORY_NAME, "name", this); } + public StrColumnBuilder enterMaModelMode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ma_model_mode", this); + } + } public static class PdbxPhasingDmBuilder extends MmCifCategoryBuilder { @@ -15324,6 +15712,10 @@ public PdbxDomainRangeBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + public StrColumnBuilder enterBegLabelAltId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "beg_label_alt_id", this); } @@ -17462,6 +17854,10 @@ public StrColumnBuilder(CATEGORY_NAME, "has_ligand_of_interest", this); } + public StrColumnBuilder enterHasProteinModification() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "has_protein_modification", this); + } + } public static class PdbxStructModResidueBuilder extends MmCifCategoryBuilder { @@ -17931,6 +18327,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "vector[3]", this); } + public StrColumnBuilder enterFullMatrix() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "full_matrix", this); + } + } public static class PdbxStructAssemblyBuilder extends MmCifCategoryBuilder { @@ -19783,35 +20183,6 @@ public StrColumnBuilder enterFundingOrganization() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "funding_organization", this); - } - - public StrColumnBuilder enterCountry() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "country", this); - } - - public StrColumnBuilder enterGrantNumber() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "grant_number", this); - } - - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); - } - - public IntColumnBuilder enterOrdinal() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal", this); - } - - } - public static class PdbxChemCompSubcomponentStructConnBuilder extends MmCifCategoryBuilder { private static final String CATEGORY_NAME = "pdbx_chem_comp_subcomponent_struct_conn"; @@ -20730,6 +21101,10 @@ public StrColumnBuilder(CATEGORY_NAME, "details", this); } + public StrColumnBuilder enterDbSource() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_source", this); + } + } public static class PdbxDatabaseStatusHistoryBuilder extends MmCifCategoryBuilder { @@ -20917,6 +21292,10 @@ public StrColumnBuilder(CATEGORY_NAME, "mutant_flag", this); } + public StrColumnBuilder enterChimera() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "chimera", this); + } + } public static class EmVirusEntityBuilder extends MmCifCategoryBuilder { @@ -21319,6 +21698,18 @@ public StrColumnBuilder e return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cryogen", this); } + public FloatColumnBuilder enterObjectiveAperture() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "objective_aperture", this); + } + + public StrColumnBuilder enterMicroscopeSerialNumber() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "microscope_serial_number", this); + } + + public StrColumnBuilder enterMicroscopeVersion() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "microscope_version", this); + } + } public static class EmDetectorBuilder extends MmCifCategoryBuilder { @@ -21588,6 +21979,10 @@ public StrColumnBuilder return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ref_protocol", this); } + public IntColumnBuilder enterInitialRefinementModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "initial_refinement_model_id", this); + } + } public static class Em3dFittingListBuilder extends MmCifCategoryBuilder { @@ -21621,6 +22016,30 @@ public StrColumnBuilder(CATEGORY_NAME, "details", this); } + public StrColumnBuilder enterChainId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "chain_id", this); + } + + public StrColumnBuilder enterChainResidueRange() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "chain_residue_range", this); + } + + public StrColumnBuilder enterSourceName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "source_name", this); + } + + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + } + + public StrColumnBuilder enterAccessionCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "accession_code", this); + } + + public IntColumnBuilder enterInitialRefinementModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "initial_refinement_model_id", this); + } + } public static class EmHelicalEntityBuilder extends MmCifCategoryBuilder { @@ -21785,6 +22204,14 @@ public StrColumnBuilder ent return new StrColumnBuilderImpl<>(CATEGORY_NAME, "title", this); } + public StrColumnBuilder enterProcessSite() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "process_site", this); + } + + public StrColumnBuilder enterCompositeMap() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "composite_map", this); + } + } public static class EmAuthorListBuilder extends MmCifCategoryBuilder { @@ -21798,6 +22225,10 @@ public StrColumnBuilder(CATEGORY_NAME, "author", this); } + public StrColumnBuilder enterIdentifierORCID() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "identifier_ORCID", this); + } + public IntColumnBuilder enterOrdinal() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal", this); } @@ -21861,6 +22292,10 @@ public EmDepuiBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } + public StrColumnBuilder enterCompositeMapDeposition() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "composite_map_deposition", this); + } + public StrColumnBuilder enterDepositorHoldInstructions() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "depositor_hold_instructions", this); } @@ -22017,6 +22452,59 @@ public StrColumnBuilder(CATEGORY_NAME, "tissue", this); } + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class EmEntityAssemblySyntheticBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "em_entity_assembly_synthetic"; + + public EmEntityAssemblySyntheticBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterCell() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cell", this); + } + + public StrColumnBuilder enterCellularLocation() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cellular_location", this); + } + + public StrColumnBuilder enterEntityAssemblyId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_assembly_id", this); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterNcbiTaxId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ncbi_tax_id", this); + } + + public StrColumnBuilder enterOrganism() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "organism", this); + } + + public StrColumnBuilder enterOrganelle() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "organelle", this); + } + + public StrColumnBuilder enterOrgan() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "organ", this); + } + + public StrColumnBuilder enterStrain() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "strain", this); + } + + public StrColumnBuilder enterTissue() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "tissue", this); + } + } public static class EmEntityAssemblyRecombinantBuilder extends MmCifCategoryBuilder { @@ -22085,6 +22573,35 @@ public StrColumnBuilder enterEntityAssemblyId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_assembly_id", this); + } + + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterOrganism() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "organism", this); + } + + public IntColumnBuilder enterNcbiTaxId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ncbi_tax_id", this); + } + + public StrColumnBuilder enterStrain() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "strain", this); + } + + } + public static class EmVirusShellBuilder extends MmCifCategoryBuilder { private static final String CATEGORY_NAME = "em_virus_shell"; @@ -22224,8 +22741,8 @@ public IntColumnBuilder(CATEGORY_NAME, "dose_rate", this); } - public IntColumnBuilder enterDuration() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "duration", this); + public FloatColumnBuilder enterDuration() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "duration", this); } public StrColumnBuilder enterEmTomographySpecimenId() { @@ -22742,6 +23259,10 @@ public FloatColumnBuilder(CATEGORY_NAME, "average_exposure_time", this); } + public FloatColumnBuilder enterAvgElectronDosePerSubtomogram() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "avg_electron_dose_per_subtomogram", this); + } + public FloatColumnBuilder enterAvgElectronDosePerImage() { return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "avg_electron_dose_per_image", this); } @@ -22823,6 +23344,10 @@ public StrColumnBuilder(CATEGORY_NAME, "sph_aberration_corrector", this); } + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + } public static class EmFinalClassificationBuilder extends MmCifCategoryBuilder { @@ -22958,6 +23483,10 @@ public StrColumnBuilder return new StrColumnBuilderImpl<>(CATEGORY_NAME, "version", this); } + public StrColumnBuilder enterReferenceDOI() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_DOI", this); + } + } public static class EmEulerAngleAssignmentBuilder extends MmCifCategoryBuilder { @@ -23318,6 +23847,10 @@ public StrColumnBuilder enter return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file", this); } + public StrColumnBuilder enterOriginalFile() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "original_file", this); + } + public StrColumnBuilder enterFormat() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "format", this); } @@ -23406,8 +23939,8 @@ public FloatColumnBuilder ent return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "statistics_std", this); } - public StrColumnBuilder enterSymmetrySpaceGroup() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "symmetry_space_group", this); + public IntColumnBuilder enterSymmetrySpaceGroup() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "symmetry_space_group", this); } public StrColumnBuilder enterType() { @@ -23673,6 +24206,31 @@ public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + } + + public StrColumnBuilder enterImageProcessingId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "image_processing_id", this); + } + + } + public static class EmStructureFactorsDepositorInfoBuilder extends MmCifCategoryBuilder { private static final String CATEGORY_NAME = "em_structure_factors_depositor_info"; @@ -23770,6 +24328,14 @@ public StrColumnBuilder(CATEGORY_NAME, "details", this); } + public StrColumnBuilder enterUploadFileName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "upload_file_name", this); + } + + public StrColumnBuilder enterUploadFileType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "upload_file_type", this); + } + } public static class PdbxStructRefSeqDepositorInfoBuilder extends MmCifCategoryBuilder { @@ -24459,6 +25025,14 @@ public StrColumnBuilder(CATEGORY_NAME, "post_rel_replacement_reason_details", this); } + public StrColumnBuilder enterHasAcceptedAssemblies() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "has_accepted_assemblies", this); + } + + public StrColumnBuilder enterAssemblyInferred() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "assembly_inferred", this); + } + } public static class PdbxDepuiUploadBuilder extends MmCifCategoryBuilder { @@ -24739,6 +25313,10 @@ public StrColumnBuilder(CATEGORY_NAME, "validated_contact_email", this); } + public StrColumnBuilder enterValidatedIdentifierORCID() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "validated_identifier_ORCID", this); + } + public StrColumnBuilder enterCountry() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "country", this); } @@ -25833,8 +26411,8 @@ public StrColumnBuilder(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterOperId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "oper_id", this); + public IntColumnBuilder enterOperId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "oper_id", this); } public StrColumnBuilder enterAsymId() { @@ -29413,6 +29991,14 @@ public FloatColumnBuilder(CATEGORY_NAME, "crossfire_xy_esd", this); } + public FloatColumnBuilder enterOverallBeamDivergence() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "overall_beam_divergence", this); + } + + public FloatColumnBuilder enterOverallBeamDivergenceEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "overall_beam_divergence_esd", this); + } + } public static class PdbxAuditRevisionHistoryBuilder extends MmCifCategoryBuilder { @@ -29450,6 +30036,14 @@ public StrColumnBuilder(CATEGORY_NAME, "internal_deposition_id", this); } + public IntColumnBuilder enterInternalPartNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "internal_part_number", this); + } + + public IntColumnBuilder enterPartNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "part_number", this); + } + } public static class PdbxAuditRevisionGroupBuilder extends MmCifCategoryBuilder { @@ -29593,6 +30187,44 @@ public StrColumnBuilder enterDbName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name", this); + } + + public StrColumnBuilder enterDbDOI() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_DOI", this); + } + + } + + public static class PdbxAuditConformBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_audit_conform"; + + public PdbxAuditConformBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterDictLocation() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "dict_location", this); + } + + public StrColumnBuilder enterDictName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "dict_name", this); + } + + public StrColumnBuilder enterDictVersion() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "dict_version", this); + } + + } + public static class PdbxSerialCrystallographyMeasurementBuilder extends MmCifCategoryBuilder { private static final String CATEGORY_NAME = "pdbx_serial_crystallography_measurement"; @@ -29832,6 +30464,39 @@ public StrColumnBuilder(CATEGORY_NAME, "xfel_run_numbers", this); } + public IntColumnBuilder enterLatticesMerged() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "lattices_merged", this); + } + + } + + public static class PdbxAuditSupportBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_audit_support"; + + public PdbxAuditSupportBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterFundingOrganization() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "funding_organization", this); + } + + public StrColumnBuilder enterCountry() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "country", this); + } + + public StrColumnBuilder enterGrantNumber() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "grant_number", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public IntColumnBuilder enterOrdinal() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal", this); + } + } public static class PdbxEntityBranchListBuilder extends MmCifCategoryBuilder { @@ -30056,3167 +30721,6849 @@ public StrColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); - } - - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); - } - - public IntColumnBuilder enterSeqIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); - } - - public IntColumnBuilder enterSeqIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); - } - - public StrColumnBuilder enterCompIdBegin() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_begin", this); + public IntColumnBuilder enterOrdinal() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal", this); } - public StrColumnBuilder enterCompIdEnd() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_end", this); + public FloatColumnBuilder enterUpperThreshold() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "upper_threshold", this); } } - public static class IhmStartingModelDetailsBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_starting_model_details"; + public static class PdbxSiftsXrefDbBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_sifts_xref_db"; - public IhmStartingModelDetailsBuilder(MmCifBlockBuilder parent) { + public PdbxSiftsXrefDbBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterStartingModelId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); - } - - public StrColumnBuilder enterEntityId() { + public StrColumnBuilder enterEntityId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); } - public StrColumnBuilder enterEntityDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); - } - - public StrColumnBuilder enterAsymId() { + public StrColumnBuilder enterAsymId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); } - public IntColumnBuilder enterEntityPolySegmentId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "entity_poly_segment_id", this); + public IntColumnBuilder enterSeqIdOrdinal() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_ordinal", this); } - public StrColumnBuilder enterStartingModelSource() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_source", this); + public IntColumnBuilder enterSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); } - public StrColumnBuilder enterStartingModelAuthAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_auth_asym_id", this); + public StrColumnBuilder enterMonId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mon_id", this); } - public IntColumnBuilder enterStartingModelSequenceOffset() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_sequence_offset", this); + public StrColumnBuilder enterMonIdOneLetterCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mon_id_one_letter_code", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public StrColumnBuilder enterUnpRes() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "unp_res", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public IntColumnBuilder enterUnpNum() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "unp_num", this); } - } - - public static class IhmStartingComparativeModelsBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_starting_comparative_models"; + public StrColumnBuilder enterUnpAcc() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "unp_acc", this); + } - public IhmStartingComparativeModelsBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public IntColumnBuilder enterUnpSegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "unp_segment_id", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterUnpInstanceId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "unp_instance_id", this); } - public StrColumnBuilder enterStartingModelId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + public StrColumnBuilder enterResType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "res_type", this); } - public StrColumnBuilder enterStartingModelAuthAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_auth_asym_id", this); + public StrColumnBuilder enterObserved() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "observed", this); } - public IntColumnBuilder enterStartingModelSeqIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_seq_id_begin", this); + public IntColumnBuilder enterMhId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "mh_id", this); } - public IntColumnBuilder enterStartingModelSeqIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_seq_id_end", this); + public StrColumnBuilder enterXrefDbName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "xref_db_name", this); } - public StrColumnBuilder enterTemplateAuthAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_auth_asym_id", this); + public StrColumnBuilder enterXrefDbAcc() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "xref_db_acc", this); } - public IntColumnBuilder enterTemplateSeqIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_seq_id_begin", this); + public StrColumnBuilder enterXrefDomainName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "xref_domain_name", this); } - public IntColumnBuilder enterTemplateSeqIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_seq_id_end", this); + public IntColumnBuilder enterXrefDbSegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "xref_db_segment_id", this); } - public FloatColumnBuilder enterTemplateSequenceIdentity() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "template_sequence_identity", this); + public IntColumnBuilder enterXrefDbInstanceId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "xref_db_instance_id", this); } - public StrColumnBuilder enterTemplateSequenceIdentityDenominator() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_sequence_identity_denominator", this); + } + + public static class PdbxSiftsXrefDbSegmentsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_sifts_xref_db_segments"; + + public PdbxSiftsXrefDbSegmentsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterTemplateDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_dataset_list_id", this); + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); } - public IntColumnBuilder enterAlignmentFileId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "alignment_file_id", this); + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterXrefDb() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "xref_db", this); } - } + public StrColumnBuilder enterXrefDbAcc() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "xref_db_acc", this); + } - public static class IhmStartingComputationalModelsBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_starting_computational_models"; + public StrColumnBuilder enterDomainName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "domain_name", this); + } - public IhmStartingComputationalModelsBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public IntColumnBuilder enterSegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "segment_id", this); } - public StrColumnBuilder enterStartingModelId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + public IntColumnBuilder enterInstanceId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "instance_id", this); } - public IntColumnBuilder enterScriptFileId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "script_file_id", this); + public IntColumnBuilder enterSeqIdStart() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_start", this); } - public IntColumnBuilder enterSoftwareId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); } } - public static class IhmStartingModelSeqDifBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_starting_model_seq_dif"; + public static class PdbxSiftsUnpSegmentsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_sifts_unp_segments"; - public IhmStartingModelSeqDifBuilder(MmCifBlockBuilder parent) { + public PdbxSiftsUnpSegmentsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); - } - - public StrColumnBuilder enterEntityId() { + public StrColumnBuilder enterEntityId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); } - public StrColumnBuilder enterAsymId() { + public StrColumnBuilder enterAsymId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); } - public IntColumnBuilder enterSeqId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + public StrColumnBuilder enterUnpAcc() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "unp_acc", this); } - public StrColumnBuilder enterCompId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + public IntColumnBuilder enterSegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "segment_id", this); } - public StrColumnBuilder enterStartingModelId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + public IntColumnBuilder enterInstanceId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "instance_id", this); } - public StrColumnBuilder enterDbEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_entity_id", this); + public IntColumnBuilder enterUnpStart() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "unp_start", this); } - public StrColumnBuilder enterDbAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_asym_id", this); + public IntColumnBuilder enterUnpEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "unp_end", this); } - public IntColumnBuilder enterDbSeqId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "db_seq_id", this); + public IntColumnBuilder enterSeqIdStart() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_start", this); } - public StrColumnBuilder enterDbCompId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_comp_id", this); + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterBestMapping() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "best_mapping", this); + } + + public FloatColumnBuilder enterIdentity() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "identity", this); } } - public static class IhmModelRepresentationBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_model_representation"; + public static class PdbxDataUsageBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_data_usage"; - public IhmModelRepresentationBuilder(MmCifBlockBuilder parent) { + public PdbxDataUsageBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public StrColumnBuilder enterDetails() { + public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - } - - public static class IhmModelRepresentationDetailsBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_model_representation_details"; - - public IhmModelRepresentationDetailsBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public StrColumnBuilder enterUrl() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "url", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } - public IntColumnBuilder enterRepresentationId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "representation_id", this); - } + } - public IntColumnBuilder enterEntityPolySegmentId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "entity_poly_segment_id", this); + public static class PdbxEntityRemappingBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_entity_remapping"; + + public PdbxEntityRemappingBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterEntityId() { + public StrColumnBuilder enterEntityId() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); } - public StrColumnBuilder enterEntityDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + public StrColumnBuilder enterOrigEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "orig_entity_id", this); } - public StrColumnBuilder enterEntityAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_asym_id", this); + } + + public static class PdbxChainRemappingBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_chain_remapping"; + + public PdbxChainRemappingBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterModelObjectPrimitive() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_object_primitive", this); + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); } - public StrColumnBuilder enterStartingModelId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + public StrColumnBuilder enterLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_asym_id", this); } - public StrColumnBuilder enterModelMode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_mode", this); + public StrColumnBuilder enterAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_asym_id", this); } - public StrColumnBuilder enterModelGranularity() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_granularity", this); + public StrColumnBuilder enterOrigLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "orig_label_asym_id", this); } - public IntColumnBuilder enterModelObjectCount() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_object_count", this); + public StrColumnBuilder enterOrigAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "orig_auth_asym_id", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public StrColumnBuilder enterAppliedOperations() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "applied_operations", this); } } - public static class IhmStructAssemblyDetailsBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_struct_assembly_details"; + public static class PdbxInitialRefinementModelBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_initial_refinement_model"; - public IhmStructAssemblyDetailsBuilder(MmCifBlockBuilder parent) { + public PdbxInitialRefinementModelBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { + public IntColumnBuilder enterId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); - } - - public IntColumnBuilder enterParentAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "parent_assembly_id", this); + public StrColumnBuilder enterEntityIdList() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_list", this); } - public StrColumnBuilder enterEntityDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public StrColumnBuilder enterSourceName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "source_name", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public StrColumnBuilder enterAccessionCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "accession_code", this); } - public IntColumnBuilder enterEntityPolySegmentId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "entity_poly_segment_id", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmStructAssemblyBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_struct_assembly"; + public static class PdbxInvestigationBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_investigation"; - public IhmStructAssemblyBuilder(MmCifBlockBuilder parent) { + public PdbxInvestigationBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public StrColumnBuilder enterResourceName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "resource_name", this); + } + + public StrColumnBuilder enterResourceAccession() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "resource_accession", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmStructAssemblyClassBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_struct_assembly_class"; + public static class PdbxChemCompPcmBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_chem_comp_pcm"; - public IhmStructAssemblyClassBuilder(MmCifBlockBuilder parent) { + public PdbxChemCompPcmBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterPcmId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pcm_id", this); } - public StrColumnBuilder enterName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + public StrColumnBuilder enterCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); } - public StrColumnBuilder enterType() { + public StrColumnBuilder enterModifiedResidueId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_id", this); + } + + public StrColumnBuilder enterType() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public StrColumnBuilder enterCategory() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "category", this); } - } + public StrColumnBuilder enterPosition() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "position", this); + } - public static class IhmStructAssemblyClassLinkBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_struct_assembly_class_link"; + public StrColumnBuilder enterPolypeptidePosition() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "polypeptide_position", this); + } - public IhmStructAssemblyClassLinkBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public StrColumnBuilder enterCompIdLinkingAtom() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_linking_atom", this); } - public IntColumnBuilder enterClassId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "class_id", this); + public StrColumnBuilder enterModifiedResidueIdLinkingAtom() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_id_linking_atom", this); } - public IntColumnBuilder enterAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); + public StrColumnBuilder enterUniprotSpecificPtmAccession() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "uniprot_specific_ptm_accession", this); + } + + public StrColumnBuilder enterUniprotGenericPtmAccession() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "uniprot_generic_ptm_accession", this); + } + + public StrColumnBuilder enterFirstInstanceModelDbCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "first_instance_model_db_code", this); } } - public static class IhmModelingProtocolBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_modeling_protocol"; + public static class PdbxModificationFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_modification_feature"; - public IhmModelingProtocolBuilder(MmCifBlockBuilder parent) { + public PdbxModificationFeatureBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinal() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal", this); } - public IntColumnBuilder enterNumSteps() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_steps", this); + public StrColumnBuilder enterLabelCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_comp_id", this); } - public StrColumnBuilder enterProtocolName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "protocol_name", this); + public StrColumnBuilder enterLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_asym_id", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public IntColumnBuilder enterLabelSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "label_seq_id", this); } - } + public StrColumnBuilder enterLabelAltId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_alt_id", this); + } - public static class IhmModelingProtocolDetailsBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_modeling_protocol_details"; + public StrColumnBuilder enterModifiedResidueLabelCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_label_comp_id", this); + } - public IhmModelingProtocolDetailsBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public StrColumnBuilder enterModifiedResidueLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_label_asym_id", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterModifiedResidueLabelSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_label_seq_id", this); } - public IntColumnBuilder enterProtocolId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "protocol_id", this); + public StrColumnBuilder enterModifiedResidueLabelAltId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_label_alt_id", this); } - public IntColumnBuilder enterStepId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "step_id", this); + public StrColumnBuilder enterAuthCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_comp_id", this); } - public IntColumnBuilder enterStructAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + public StrColumnBuilder enterAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_asym_id", this); } - public IntColumnBuilder enterDatasetGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_group_id", this); + public StrColumnBuilder enterAuthSeqId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_seq_id", this); } - public StrColumnBuilder enterStructAssemblyDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_description", this); + public StrColumnBuilder enterPDBInsCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "PDB_ins_code", this); } - public StrColumnBuilder enterStepName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "step_name", this); + public StrColumnBuilder enterSymmetry() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "symmetry", this); } - public StrColumnBuilder enterStepMethod() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "step_method", this); + public StrColumnBuilder enterModifiedResidueAuthCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_auth_comp_id", this); } - public IntColumnBuilder enterNumModelsBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_begin", this); + public StrColumnBuilder enterModifiedResidueAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_auth_asym_id", this); } - public IntColumnBuilder enterNumModelsEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_end", this); + public StrColumnBuilder enterModifiedResidueAuthSeqId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_auth_seq_id", this); } - public StrColumnBuilder enterMultiScaleFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "multi_scale_flag", this); + public StrColumnBuilder enterModifiedResiduePDBInsCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_PDB_ins_code", this); } - public StrColumnBuilder enterMultiStateFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "multi_state_flag", this); + public StrColumnBuilder enterModifiedResidueSymmetry() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_symmetry", this); } - public StrColumnBuilder enterOrderedFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ordered_flag", this); + public StrColumnBuilder enterCompIdLinkingAtom() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_linking_atom", this); } - public StrColumnBuilder enterEnsembleFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_flag", this); + public StrColumnBuilder enterModifiedResidueIdLinkingAtom() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_id_linking_atom", this); } - public IntColumnBuilder enterScriptFileId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "script_file_id", this); + public StrColumnBuilder enterModifiedResidueId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modified_residue_id", this); } - public IntColumnBuilder enterSoftwareId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + public IntColumnBuilder enterRefPcmId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ref_pcm_id", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public StrColumnBuilder enterRefCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ref_comp_id", this); + } + + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + } + + public StrColumnBuilder enterCategory() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "category", this); } } - public static class IhmMultiStateModelingBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_multi_state_modeling"; + public static class PdbxDiffrnBatchBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_diffrn_batch"; - public IhmMultiStateModelingBuilder(MmCifBlockBuilder parent) { + public PdbxDiffrnBatchBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterStateId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "state_id", this); - } - - public IntColumnBuilder enterStateGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "state_group_id", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public FloatColumnBuilder enterPopulationFraction() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "population_fraction", this); + public StrColumnBuilder enterDiffrnId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "diffrn_id", this); } - public FloatColumnBuilder enterPopulationFractionSd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "population_fraction_sd", this); + public StrColumnBuilder enterCellId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cell_id", this); } - public StrColumnBuilder enterStateType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "state_type", this); + public StrColumnBuilder enterWavelengthId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "wavelength_id", this); } - public StrColumnBuilder enterStateName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "state_name", this); + public StrColumnBuilder enterSpaceGroupId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "space_group_id", this); } - public StrColumnBuilder enterExperimentType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "experiment_type", this); + public StrColumnBuilder enterDetectorId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "detector_id", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterOrientationId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "orientation_id", this); } } - public static class IhmMultiStateModelGroupLinkBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_multi_state_model_group_link"; + public static class PdbxDiffrnCellBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_diffrn_cell"; - public IhmMultiStateModelGroupLinkBuilder(MmCifBlockBuilder parent) { + public PdbxDiffrnCellBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterStateId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "state_id", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterModelGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + public FloatColumnBuilder enterAngleAlpha() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_alpha", this); } - } - - public static class IhmOrderedEnsembleBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_ordered_ensemble"; + public FloatColumnBuilder enterAngleAlphaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_alpha_esd", this); + } - public IhmOrderedEnsembleBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterAngleBeta() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_beta", this); } - public IntColumnBuilder enterProcessId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "process_id", this); + public FloatColumnBuilder enterAngleBetaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_beta_esd", this); } - public StrColumnBuilder enterProcessDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "process_description", this); + public FloatColumnBuilder enterAngleGamma() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_gamma", this); } - public IntColumnBuilder enterEdgeId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "edge_id", this); + public FloatColumnBuilder enterAngleGammaEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_gamma_esd", this); } - public StrColumnBuilder enterEdgeDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "edge_description", this); + public FloatColumnBuilder enterLengthA() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_a", this); } - public IntColumnBuilder enterStepId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "step_id", this); + public FloatColumnBuilder enterLengthAEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_a_esd", this); } - public StrColumnBuilder enterStepDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "step_description", this); + public FloatColumnBuilder enterLengthB() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_b", this); } - public StrColumnBuilder enterOrderedBy() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ordered_by", this); + public FloatColumnBuilder enterLengthBEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_b_esd", this); } - public IntColumnBuilder enterModelGroupIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id_begin", this); + public FloatColumnBuilder enterLengthC() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_c", this); } - public IntColumnBuilder enterModelGroupIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id_end", this); + public FloatColumnBuilder enterLengthCEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "length_c_esd", this); } } - public static class IhmModelingPostProcessBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_modeling_post_process"; + public static class PdbxDiffrnOrientationBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_diffrn_orientation"; - public IhmModelingPostProcessBuilder(MmCifBlockBuilder parent) { + public PdbxDiffrnOrientationBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterProtocolId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "protocol_id", this); + public FloatColumnBuilder enterMatrix11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[1][1]", this); } - public IntColumnBuilder enterAnalysisId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "analysis_id", this); + public FloatColumnBuilder enterMatrix12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[1][2]", this); } - public IntColumnBuilder enterStepId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "step_id", this); + public FloatColumnBuilder enterMatrix13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[1][3]", this); } - public IntColumnBuilder enterStructAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + public FloatColumnBuilder enterMatrix21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[2][1]", this); } - public IntColumnBuilder enterDatasetGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_group_id", this); + public FloatColumnBuilder enterMatrix22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[2][2]", this); } - public StrColumnBuilder enterType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + public FloatColumnBuilder enterMatrix23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[2][3]", this); } - public StrColumnBuilder enterFeature() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "feature", this); + public FloatColumnBuilder enterMatrix31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[3][1]", this); } - public StrColumnBuilder enterFeatureName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "feature_name", this); + public FloatColumnBuilder enterMatrix32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[3][2]", this); } - public IntColumnBuilder enterNumModelsBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_begin", this); + public FloatColumnBuilder enterMatrix33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "matrix[3][3]", this); } - public IntColumnBuilder enterNumModelsEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_end", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public IntColumnBuilder enterScriptFileId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "script_file_id", this); + } + + public static class PdbxDiffrnBatchScanBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_diffrn_batch_scan"; + + public PdbxDiffrnBatchScanBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterSoftwareId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + public StrColumnBuilder enterBatchId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "batch_id", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterScanId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scan_id", this); } } - public static class IhmEnsembleInfoBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_ensemble_info"; + public static class PdbxDiffrnDetectorPanelMappingBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "pdbx_diffrn_detector_panel_mapping"; - public IhmEnsembleInfoBuilder(MmCifBlockBuilder parent) { + public PdbxDiffrnDetectorPanelMappingBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterEnsembleId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterEnsembleName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_name", this); + public StrColumnBuilder enterDetectorId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "detector_id", this); } - public IntColumnBuilder enterPostProcessId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "post_process_id", this); + public StrColumnBuilder enterArrayId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_id", this); } - public IntColumnBuilder enterModelGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + public StrColumnBuilder enterArraySectionId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_section_id", this); } - public StrColumnBuilder enterEnsembleClusteringMethod() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_clustering_method", this); + } + + public static class DiffrnScanBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_scan"; + + public DiffrnScanBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterEnsembleClusteringFeature() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_clustering_feature", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterNumEnsembleModels() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_ensemble_models", this); + public StrColumnBuilder enterDateEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "date_end", this); } - public IntColumnBuilder enterNumEnsembleModelsDeposited() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_ensemble_models_deposited", this); + public StrColumnBuilder enterDateEndEstimated() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "date_end_estimated", this); } - public FloatColumnBuilder enterEnsemblePrecisionValue() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_precision_value", this); + public StrColumnBuilder enterDateStart() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "date_start", this); } - public IntColumnBuilder enterEnsembleFileId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_file_id", this); + public FloatColumnBuilder enterIntegrationTime() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "integration_time", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterFrameIdStart() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "frame_id_start", this); } - public StrColumnBuilder enterSubSampleFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sub_sample_flag", this); + public StrColumnBuilder enterFrameIdEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "frame_id_end", this); } - public StrColumnBuilder enterSubSamplingType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sub_sampling_type", this); + public IntColumnBuilder enterFrames() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "frames", this); + } + + public FloatColumnBuilder enterTimePeriod() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "time_period", this); + } + + public FloatColumnBuilder enterTimeRstrtIncr() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "time_rstrt_incr", this); } } - public static class IhmEnsembleSubSampleBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_ensemble_sub_sample"; + public static class DiffrnScanAxisBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_scan_axis"; - public IhmEnsembleSubSampleBuilder(MmCifBlockBuilder parent) { + public DiffrnScanAxisBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); - } - - public StrColumnBuilder enterName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + public StrColumnBuilder enterScanId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scan_id", this); } - public IntColumnBuilder enterEnsembleId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + public StrColumnBuilder enterAxisId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axis_id", this); } - public IntColumnBuilder enterNumModels() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models", this); + public FloatColumnBuilder enterAngleStart() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_start", this); } - public IntColumnBuilder enterNumModelsDeposited() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_deposited", this); + public FloatColumnBuilder enterAngleRange() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_range", this); } - public IntColumnBuilder enterModelGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + public FloatColumnBuilder enterAngleIncrement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_increment", this); } - public IntColumnBuilder enterFileId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "file_id", this); + public FloatColumnBuilder enterAngleRstrtIncr() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_rstrt_incr", this); } - } - - public static class IhmModelListBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_model_list"; - - public IhmModelListBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterDisplacementStart() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement_start", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public FloatColumnBuilder enterDisplacementRange() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement_range", this); } - public StrColumnBuilder enterModelName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_name", this); + public FloatColumnBuilder enterDisplacementIncrement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement_increment", this); } - public IntColumnBuilder enterAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); + public FloatColumnBuilder enterDisplacementRstrtIncr() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement_rstrt_incr", this); } - public IntColumnBuilder enterProtocolId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "protocol_id", this); + public FloatColumnBuilder enterReferenceAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reference_angle", this); } - public IntColumnBuilder enterRepresentationId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "representation_id", this); + public FloatColumnBuilder enterReferenceDisplacement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reference_displacement", this); } } - public static class IhmModelGroupBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_model_group"; + public static class DiffrnScanCollectionBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_scan_collection"; - public IhmModelGroupBuilder(MmCifBlockBuilder parent) { + public DiffrnScanCollectionBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public StrColumnBuilder enterName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + public StrColumnBuilder enterScanId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scan_id", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + } + + public FloatColumnBuilder enterTranslationWidth() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "translation_width", this); } } - public static class IhmModelGroupLinkBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_model_group_link"; + public static class DiffrnScanFrameBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_scan_frame"; - public IhmModelGroupLinkBuilder(MmCifBlockBuilder parent) { + public DiffrnScanFrameBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public StrColumnBuilder enterDate() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "date", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public StrColumnBuilder enterFrameId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "frame_id", this); } - } - - public static class IhmModelRepresentativeBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_model_representative"; + public IntColumnBuilder enterFrameNumber() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "frame_number", this); + } - public IhmModelRepresentativeBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterIntegrationTime() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "integration_time", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public FloatColumnBuilder enterPolariznStokesI() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "polarizn_Stokes_I", this); } - public IntColumnBuilder enterModelGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + public StrColumnBuilder enterScanId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "scan_id", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public FloatColumnBuilder enterTimePeriod() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "time_period", this); } - public StrColumnBuilder enterSelectionCriteria() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "selection_criteria", this); + public FloatColumnBuilder enterTimeRstrtIncr() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "time_rstrt_incr", this); } } - public static class IhmDatasetListBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_dataset_list"; + public static class DiffrnScanFrameAxisBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_scan_frame_axis"; - public IhmDatasetListBuilder(MmCifBlockBuilder parent) { + public DiffrnScanFrameAxisBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterAxisId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axis_id", this); } - public StrColumnBuilder enterDataType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "data_type", this); + public FloatColumnBuilder enterAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterAngleIncrement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_increment", this); } - public StrColumnBuilder enterDatabaseHosted() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "database_hosted", this); + public FloatColumnBuilder enterAngleRstrtIncr() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_rstrt_incr", this); } - } - - public static class IhmDatasetGroupBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_dataset_group"; + public FloatColumnBuilder enterDisplacement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement", this); + } - public IhmDatasetGroupBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterDisplacementIncrement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement_increment", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public FloatColumnBuilder enterDisplacementRstrtIncr() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement_rstrt_incr", this); } - public StrColumnBuilder enterName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + public StrColumnBuilder enterFrameId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "frame_id", this); } - public StrColumnBuilder enterApplication() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "application", this); + public FloatColumnBuilder enterReferenceAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reference_angle", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterReferenceDisplacement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reference_displacement", this); } } - public static class IhmDatasetGroupLinkBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_dataset_group_link"; + public static class ArrayIntensitiesBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "array_intensities"; - public IhmDatasetGroupLinkBuilder(MmCifBlockBuilder parent) { + public ArrayIntensitiesBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public StrColumnBuilder enterArrayId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_id", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public IntColumnBuilder enterBinaryId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "binary_id", this); } - } - - public static class IhmRelatedDatasetsBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_related_datasets"; - - public IhmRelatedDatasetsBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public IntColumnBuilder enterDatasetListIdDerived() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id_derived", this); + public FloatColumnBuilder enterGain() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "gain", this); } - public IntColumnBuilder enterDatasetListIdPrimary() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id_primary", this); + public FloatColumnBuilder enterGainEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "gain_esd", this); } - public IntColumnBuilder enterTransformationId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + public StrColumnBuilder enterLinearity() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "linearity", this); } - } - - public static class IhmDataTransformationBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_data_transformation"; - - public IhmDataTransformationBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterOffset() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "offset", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public FloatColumnBuilder enterOverload() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "overload", this); } - public FloatColumnBuilder enterRotMatrix11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][1]", this); + public FloatColumnBuilder enterPixelFastBinSize() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pixel_fast_bin_size", this); } - public FloatColumnBuilder enterRotMatrix21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][1]", this); + public FloatColumnBuilder enterPixelSlowBinSize() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pixel_slow_bin_size", this); } - public FloatColumnBuilder enterRotMatrix31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][1]", this); + public StrColumnBuilder enterPixelBinningMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pixel_binning_method", this); } - public FloatColumnBuilder enterRotMatrix12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][2]", this); + public FloatColumnBuilder enterScaling() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "scaling", this); } - public FloatColumnBuilder enterRotMatrix22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][2]", this); + public FloatColumnBuilder enterUndefinedValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "undefined_value", this); } - public FloatColumnBuilder enterRotMatrix32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][2]", this); + public FloatColumnBuilder enterUnderload() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "underload", this); } - public FloatColumnBuilder enterRotMatrix13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][3]", this); + } + + public static class ArrayStructureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "array_structure"; + + public ArrayStructureBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterRotMatrix23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][3]", this); + public StrColumnBuilder enterByteOrder() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "byte_order", this); } - public FloatColumnBuilder enterRotMatrix33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][3]", this); + public StrColumnBuilder enterCompressionType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "compression_type", this); } - public FloatColumnBuilder enterTrVector1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[1]", this); + public StrColumnBuilder enterCompressionTypeFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "compression_type_flag", this); } - public FloatColumnBuilder enterTrVector2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[2]", this); + public StrColumnBuilder enterEncodingType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "encoding_type", this); } - public FloatColumnBuilder enterTrVector3() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[3]", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } } - public static class IhmDatasetRelatedDbReferenceBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_dataset_related_db_reference"; + public static class ArrayDataBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "array_data"; - public IhmDatasetRelatedDbReferenceBuilder(MmCifBlockBuilder parent) { + public ArrayDataBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterArrayId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_id", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public IntColumnBuilder enterBinaryId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "binary_id", this); } - public StrColumnBuilder enterDbName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name", this); + public StrColumnBuilder enterData() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "data", this); } - public StrColumnBuilder enterAccessionCode() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "accession_code", this); + public StrColumnBuilder enterExternalDataId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "external_data_id", this); } - public StrColumnBuilder enterVersion() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "version", this); + public StrColumnBuilder enterHeaderContents() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "header_contents", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterHeaderConvention() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "header_convention", this); } } - public static class IhmExternalReferenceInfoBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_external_reference_info"; + public static class ArrayStructureListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "array_structure_list"; - public IhmExternalReferenceInfoBuilder(MmCifBlockBuilder parent) { + public ArrayStructureListBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterReferenceId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "reference_id", this); + public StrColumnBuilder enterArrayId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_id", this); } - public StrColumnBuilder enterReferenceProvider() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_provider", this); + public StrColumnBuilder enterArraySectionId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_section_id", this); } - public StrColumnBuilder enterReferenceType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_type", this); + public StrColumnBuilder enterAxisSetId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axis_set_id", this); } - public StrColumnBuilder enterReference() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference", this); + public IntColumnBuilder enterDimension() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dimension", this); } - public StrColumnBuilder enterRefersTo() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "refers_to", this); + public StrColumnBuilder enterDirection() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "direction", this); } - public StrColumnBuilder enterAssociatedUrl() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "associated_url", this); + public IntColumnBuilder enterIndex() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public IntColumnBuilder enterPrecedence() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "precedence", this); } } - public static class IhmExternalFilesBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_external_files"; + public static class ArrayStructureListAxisBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "array_structure_list_axis"; - public IhmExternalFilesBuilder(MmCifBlockBuilder parent) { + public ArrayStructureListAxisBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterAxisId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axis_id", this); } - public IntColumnBuilder enterReferenceId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "reference_id", this); + public StrColumnBuilder enterAxisSetId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axis_set_id", this); } - public StrColumnBuilder enterFilePath() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_path", this); + public FloatColumnBuilder enterAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle", this); } - public StrColumnBuilder enterFileFormat() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_format", this); + public FloatColumnBuilder enterAngleIncrement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_increment", this); } - public StrColumnBuilder enterContentType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "content_type", this); + public FloatColumnBuilder enterDisplacement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement", this); } - public FloatColumnBuilder enterFileSizeBytes() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "file_size_bytes", this); + public FloatColumnBuilder enterFractDisplacement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fract_displacement", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterDisplacementIncrement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "displacement_increment", this); } - } - - public static class IhmDatasetExternalReferenceBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_dataset_external_reference"; + public FloatColumnBuilder enterFractDisplacementIncrement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fract_displacement_increment", this); + } - public IhmDatasetExternalReferenceBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterAngularPitch() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angular_pitch", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public FloatColumnBuilder enterRadialPitch() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "radial_pitch", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public FloatColumnBuilder enterReferenceAngle() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reference_angle", this); } - public IntColumnBuilder enterFileId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "file_id", this); + public FloatColumnBuilder enterReferenceDisplacement() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reference_displacement", this); } } - public static class IhmLocalizationDensityFilesBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_localization_density_files"; + public static class ArrayStructureListSectionBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "array_structure_list_section"; - public IhmLocalizationDensityFilesBuilder(MmCifBlockBuilder parent) { + public ArrayStructureListSectionBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterArrayId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_id", this); } - public IntColumnBuilder enterFileId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "file_id", this); + public IntColumnBuilder enterEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "end", this); } - public IntColumnBuilder enterEnsembleId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public IntColumnBuilder enterIndex() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "index", this); } - public IntColumnBuilder enterEntityPolySegmentId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "entity_poly_segment_id", this); + public IntColumnBuilder enterStart() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "start", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public IntColumnBuilder enterStride() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "stride", this); } } - public static class IhmPredictedContactRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_predicted_contact_restraint"; + public static class DiffrnDataFrameBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_data_frame"; - public IhmPredictedContactRestraintBuilder(MmCifBlockBuilder parent) { + public DiffrnDataFrameBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterArrayId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_id", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public StrColumnBuilder enterArraySectionId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "array_section_id", this); } - public StrColumnBuilder enterEntityDescription1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description_1", this); + public IntColumnBuilder enterBinaryId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "binary_id", this); } - public StrColumnBuilder enterEntityDescription2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description_2", this); + public FloatColumnBuilder enterCenterFast() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "center_fast", this); } - public StrColumnBuilder enterEntityId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); + public FloatColumnBuilder enterCenterSlow() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "center_slow", this); } - public StrColumnBuilder enterEntityId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); + public StrColumnBuilder enterCenterDerived() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "center_derived", this); } - public StrColumnBuilder enterAsymId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_1", this); + public StrColumnBuilder enterCenterUnits() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "center_units", this); } - public StrColumnBuilder enterAsymId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_2", this); + public StrColumnBuilder enterDetectorElementId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "detector_element_id", this); } - public StrColumnBuilder enterCompId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterCompId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public IntColumnBuilder enterSeqId1() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); - } + } - public IntColumnBuilder enterSeqId2() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); - } + public static class DiffrnDetectorAxisBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_detector_axis"; - public StrColumnBuilder enterRepAtom1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "rep_atom_1", this); + public DiffrnDetectorAxisBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterRepAtom2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "rep_atom_2", this); + public StrColumnBuilder enterAxisId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axis_id", this); } - public FloatColumnBuilder enterDistanceLowerLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit", this); + public StrColumnBuilder enterDetectorId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "detector_id", this); } - public FloatColumnBuilder enterDistanceUpperLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit", this); + } + + public static class DiffrnDetectorElementBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "diffrn_detector_element"; + + public DiffrnDetectorElementBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterProbability() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterRestraintType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + public StrColumnBuilder enterDetectorId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "detector_id", this); } - public StrColumnBuilder enterModelGranularity() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_granularity", this); + public FloatColumnBuilder enterReferenceCenterFast() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reference_center_fast", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public FloatColumnBuilder enterReferenceCenterSlow() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "reference_center_slow", this); } - public IntColumnBuilder enterSoftwareId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + public StrColumnBuilder enterReferenceCenterUnits() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_center_units", this); } } - public static class IhmHydroxylRadicalFpRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_hydroxyl_radical_fp_restraint"; + public static class IhmEntityPolySegmentBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_entity_poly_segment"; - public IhmHydroxylRadicalFpRestraintBuilder(MmCifBlockBuilder parent) { + public IhmEntityPolySegmentBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public IntColumnBuilder enterSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + } + + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + } + + public StrColumnBuilder enterCompIdBegin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_begin", this); + } + + public StrColumnBuilder enterCompIdEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_end", this); + } + + } + + public static class IhmStartingModelDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_starting_model_details"; + + public IhmStartingModelDetailsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterStartingModelId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterEntityDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public IntColumnBuilder enterEntityPolySegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "entity_poly_segment_id", this); + } + + public StrColumnBuilder enterStartingModelSource() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_source", this); + } + + public StrColumnBuilder enterStartingModelAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_auth_asym_id", this); + } + + public IntColumnBuilder enterStartingModelSequenceOffset() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_sequence_offset", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + } + + public static class IhmStartingComparativeModelsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_starting_comparative_models"; + + public IhmStartingComparativeModelsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterStartingModelId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + } + + public StrColumnBuilder enterStartingModelAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_auth_asym_id", this); + } + + public IntColumnBuilder enterStartingModelSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_seq_id_begin", this); + } + + public IntColumnBuilder enterStartingModelSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_seq_id_end", this); + } + + public StrColumnBuilder enterTemplateAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_auth_asym_id", this); + } + + public IntColumnBuilder enterTemplateSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_seq_id_begin", this); + } + + public IntColumnBuilder enterTemplateSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_seq_id_end", this); + } + + public FloatColumnBuilder enterTemplateSequenceIdentity() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "template_sequence_identity", this); + } + + public StrColumnBuilder enterTemplateSequenceIdentityDenominator() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_sequence_identity_denominator", this); + } + + public IntColumnBuilder enterTemplateDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_dataset_list_id", this); + } + + public IntColumnBuilder enterAlignmentFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "alignment_file_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmStartingComputationalModelsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_starting_computational_models"; + + public IhmStartingComputationalModelsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterStartingModelId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + } + + public IntColumnBuilder enterScriptFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "script_file_id", this); + } + + public IntColumnBuilder enterSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + } + + } + + public static class IhmStartingModelSeqDifBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_starting_model_seq_dif"; + + public IhmStartingModelSeqDifBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public IntColumnBuilder enterSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + } + + public StrColumnBuilder enterCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + } + + public StrColumnBuilder enterStartingModelId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + } + + public StrColumnBuilder enterDbEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_entity_id", this); + } + + public StrColumnBuilder enterDbAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_asym_id", this); + } + + public IntColumnBuilder enterDbSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "db_seq_id", this); + } + + public StrColumnBuilder enterDbCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_comp_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmModelRepresentationBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_model_representation"; + + public IhmModelRepresentationBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmModelRepresentationDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_model_representation_details"; + + public IhmModelRepresentationDetailsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterRepresentationId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "representation_id", this); + } + + public IntColumnBuilder enterEntityPolySegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "entity_poly_segment_id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterEntityDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + } + + public StrColumnBuilder enterEntityAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_asym_id", this); + } + + public StrColumnBuilder enterModelObjectPrimitive() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_object_primitive", this); + } + + public StrColumnBuilder enterStartingModelId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + } + + public StrColumnBuilder enterModelMode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_mode", this); + } + + public StrColumnBuilder enterModelGranularity() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_granularity", this); + } + + public IntColumnBuilder enterModelObjectCount() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_object_count", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + } + + public static class IhmStructAssemblyDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_struct_assembly_details"; + + public IhmStructAssemblyDetailsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); + } + + public IntColumnBuilder enterParentAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "parent_assembly_id", this); + } + + public StrColumnBuilder enterEntityDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public IntColumnBuilder enterEntityPolySegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "entity_poly_segment_id", this); + } + + } + + public static class IhmStructAssemblyBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_struct_assembly"; + + public IhmStructAssemblyBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + } + + public static class IhmStructAssemblyClassBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_struct_assembly_class"; + + public IhmStructAssemblyClassBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + } + + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + } + + public static class IhmStructAssemblyClassLinkBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_struct_assembly_class_link"; + + public IhmStructAssemblyClassLinkBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterClassId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "class_id", this); + } + + public IntColumnBuilder enterAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); + } + + } + + public static class IhmModelingProtocolBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_modeling_protocol"; + + public IhmModelingProtocolBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterNumSteps() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_steps", this); + } + + public StrColumnBuilder enterProtocolName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "protocol_name", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmModelingProtocolDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_modeling_protocol_details"; + + public IhmModelingProtocolDetailsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterProtocolId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "protocol_id", this); + } + + public IntColumnBuilder enterStepId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "step_id", this); + } + + public IntColumnBuilder enterStructAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + } + + public IntColumnBuilder enterDatasetGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_group_id", this); + } + + public StrColumnBuilder enterStructAssemblyDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_description", this); + } + + public StrColumnBuilder enterStepName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "step_name", this); + } + + public StrColumnBuilder enterStepMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "step_method", this); + } + + public IntColumnBuilder enterNumModelsBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_begin", this); + } + + public IntColumnBuilder enterNumModelsEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_end", this); + } + + public StrColumnBuilder enterMultiScaleFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "multi_scale_flag", this); + } + + public StrColumnBuilder enterMultiStateFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "multi_state_flag", this); + } + + public StrColumnBuilder enterOrderedFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ordered_flag", this); + } + + public StrColumnBuilder enterEnsembleFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_flag", this); + } + + public IntColumnBuilder enterScriptFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "script_file_id", this); + } + + public IntColumnBuilder enterSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + } + + public static class IhmMultiStateModelingBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_multi_state_modeling"; + + public IhmMultiStateModelingBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterStateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "state_id", this); + } + + public IntColumnBuilder enterStateGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "state_group_id", this); + } + + public FloatColumnBuilder enterPopulationFraction() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "population_fraction", this); + } + + public FloatColumnBuilder enterPopulationFractionSd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "population_fraction_sd", this); + } + + public StrColumnBuilder enterStateType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "state_type", this); + } + + public StrColumnBuilder enterStateName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "state_name", this); + } + + public StrColumnBuilder enterExperimentType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "experiment_type", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmMultiStateModelGroupLinkBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_multi_state_model_group_link"; + + public IhmMultiStateModelGroupLinkBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterStateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "state_id", this); + } + + public IntColumnBuilder enterModelGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + } + + } + + public static class IhmOrderedModelBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_ordered_model"; + + public IhmOrderedModelBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterProcessId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "process_id", this); + } + + public StrColumnBuilder enterProcessDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "process_description", this); + } + + public IntColumnBuilder enterEdgeId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "edge_id", this); + } + + public StrColumnBuilder enterEdgeDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "edge_description", this); + } + + public IntColumnBuilder enterStepId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "step_id", this); + } + + public StrColumnBuilder enterStepDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "step_description", this); + } + + public StrColumnBuilder enterOrderedBy() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ordered_by", this); + } + + public IntColumnBuilder enterModelGroupIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id_begin", this); + } + + public IntColumnBuilder enterModelGroupIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id_end", this); + } + + } + + public static class IhmOrderedEnsembleBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_ordered_ensemble"; + + public IhmOrderedEnsembleBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterProcessId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "process_id", this); + } + + public StrColumnBuilder enterProcessDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "process_description", this); + } + + public IntColumnBuilder enterEdgeId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "edge_id", this); + } + + public StrColumnBuilder enterEdgeDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "edge_description", this); + } + + public IntColumnBuilder enterStepId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "step_id", this); + } + + public StrColumnBuilder enterStepDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "step_description", this); + } + + public StrColumnBuilder enterOrderedBy() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ordered_by", this); + } + + public IntColumnBuilder enterModelGroupIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id_begin", this); + } + + public IntColumnBuilder enterModelGroupIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id_end", this); + } + + } + + public static class IhmModelingPostProcessBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_modeling_post_process"; + + public IhmModelingPostProcessBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterProtocolId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "protocol_id", this); + } + + public IntColumnBuilder enterAnalysisId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "analysis_id", this); + } + + public IntColumnBuilder enterStepId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "step_id", this); + } + + public IntColumnBuilder enterStructAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + } + + public IntColumnBuilder enterDatasetGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_group_id", this); + } + + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + } + + public StrColumnBuilder enterFeature() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "feature", this); + } + + public StrColumnBuilder enterFeatureName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "feature_name", this); + } + + public IntColumnBuilder enterNumModelsBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_begin", this); + } + + public IntColumnBuilder enterNumModelsEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_end", this); + } + + public IntColumnBuilder enterScriptFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "script_file_id", this); + } + + public IntColumnBuilder enterSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmEnsembleInfoBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_ensemble_info"; + + public IhmEnsembleInfoBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterEnsembleId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + } + + public StrColumnBuilder enterEnsembleName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_name", this); + } + + public IntColumnBuilder enterPostProcessId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "post_process_id", this); + } + + public IntColumnBuilder enterModelGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + } + + public StrColumnBuilder enterModelGroupSuperimposedFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_group_superimposed_flag", this); + } + + public StrColumnBuilder enterEnsembleClusteringMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_clustering_method", this); + } + + public StrColumnBuilder enterEnsembleClusteringFeature() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_clustering_feature", this); + } + + public IntColumnBuilder enterNumEnsembleModels() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_ensemble_models", this); + } + + public IntColumnBuilder enterNumEnsembleModelsDeposited() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_ensemble_models_deposited", this); + } + + public FloatColumnBuilder enterEnsemblePrecisionValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_precision_value", this); + } + + public IntColumnBuilder enterEnsembleFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_file_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public StrColumnBuilder enterSubSampleFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sub_sample_flag", this); + } + + public StrColumnBuilder enterSubSamplingType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sub_sampling_type", this); + } + + } + + public static class IhmEnsembleSubSampleBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_ensemble_sub_sample"; + + public IhmEnsembleSubSampleBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + } + + public IntColumnBuilder enterEnsembleId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + } + + public IntColumnBuilder enterNumModels() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models", this); + } + + public IntColumnBuilder enterNumModelsDeposited() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models_deposited", this); + } + + public IntColumnBuilder enterModelGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + } + + public IntColumnBuilder enterFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "file_id", this); + } + + } + + public static class IhmModelListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_model_list"; + + public IhmModelListBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public StrColumnBuilder enterModelName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_name", this); + } + + public IntColumnBuilder enterAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); + } + + public IntColumnBuilder enterProtocolId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "protocol_id", this); + } + + public IntColumnBuilder enterRepresentationId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "representation_id", this); + } + + } + + public static class IhmModelGroupBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_model_group"; + + public IhmModelGroupBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmModelGroupLinkBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_model_group_link"; + + public IhmModelGroupLinkBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + } + + public static class IhmModelRepresentativeBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_model_representative"; + + public IhmModelRepresentativeBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterModelGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public StrColumnBuilder enterSelectionCriteria() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "selection_criteria", this); + } + + } + + public static class IhmDatasetListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_dataset_list"; + + public IhmDatasetListBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterDataType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "data_type", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public StrColumnBuilder enterDatabaseHosted() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "database_hosted", this); + } + + } + + public static class IhmDatasetGroupBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_dataset_group"; + + public IhmDatasetGroupBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + } + + public StrColumnBuilder enterApplication() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "application", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmDatasetGroupLinkBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_dataset_group_link"; + + public IhmDatasetGroupLinkBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + } + + public static class IhmRelatedDatasetsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_related_datasets"; + + public IhmRelatedDatasetsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterDatasetListIdDerived() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id_derived", this); + } + + public IntColumnBuilder enterDatasetListIdPrimary() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id_primary", this); + } + + public IntColumnBuilder enterTransformationId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + } + + } + + public static class IhmDataTransformationBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_data_transformation"; + + public IhmDataTransformationBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public FloatColumnBuilder enterRotMatrix11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][1]", this); + } + + public FloatColumnBuilder enterRotMatrix21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][1]", this); + } + + public FloatColumnBuilder enterRotMatrix31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][1]", this); + } + + public FloatColumnBuilder enterRotMatrix12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][2]", this); + } + + public FloatColumnBuilder enterRotMatrix22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][2]", this); + } + + public FloatColumnBuilder enterRotMatrix32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][2]", this); + } + + public FloatColumnBuilder enterRotMatrix13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][3]", this); + } + + public FloatColumnBuilder enterRotMatrix23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][3]", this); + } + + public FloatColumnBuilder enterRotMatrix33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][3]", this); + } + + public FloatColumnBuilder enterTrVector1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[1]", this); + } + + public FloatColumnBuilder enterTrVector2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[2]", this); + } + + public FloatColumnBuilder enterTrVector3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[3]", this); + } + + } + + public static class IhmDatasetRelatedDbReferenceBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_dataset_related_db_reference"; + + public IhmDatasetRelatedDbReferenceBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public StrColumnBuilder enterDbName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name", this); + } + + public StrColumnBuilder enterAccessionCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "accession_code", this); + } + + public StrColumnBuilder enterVersion() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "version", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmExternalReferenceInfoBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_external_reference_info"; + + public IhmExternalReferenceInfoBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterReferenceId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "reference_id", this); + } + + public StrColumnBuilder enterReferenceProvider() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_provider", this); + } + + public StrColumnBuilder enterReferenceType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_type", this); + } + + public StrColumnBuilder enterReference() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference", this); + } + + public StrColumnBuilder enterRefersTo() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "refers_to", this); + } + + public StrColumnBuilder enterAssociatedUrl() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "associated_url", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmExternalFilesBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_external_files"; + + public IhmExternalFilesBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterReferenceId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "reference_id", this); + } + + public StrColumnBuilder enterFilePath() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_path", this); + } + + public StrColumnBuilder enterFileFormat() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_format", this); + } + + public StrColumnBuilder enterContentType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "content_type", this); + } + + public FloatColumnBuilder enterFileSizeBytes() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "file_size_bytes", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmDatasetExternalReferenceBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_dataset_external_reference"; + + public IhmDatasetExternalReferenceBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public IntColumnBuilder enterFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "file_id", this); + } + + } + + public static class IhmLocalizationDensityFilesBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_localization_density_files"; + + public IhmLocalizationDensityFilesBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "file_id", this); + } + + public IntColumnBuilder enterEnsembleId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public IntColumnBuilder enterEntityPolySegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "entity_poly_segment_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + } + + public static class IhmPredictedContactRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_predicted_contact_restraint"; + + public IhmPredictedContactRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + public StrColumnBuilder enterEntityDescription1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description_1", this); + } + + public StrColumnBuilder enterEntityDescription2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description_2", this); + } + + public StrColumnBuilder enterEntityId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); + } + + public StrColumnBuilder enterEntityId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); + } + + public StrColumnBuilder enterAsymId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_1", this); + } + + public StrColumnBuilder enterAsymId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_2", this); + } + + public StrColumnBuilder enterCompId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); + } + + public StrColumnBuilder enterCompId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); + } + + public IntColumnBuilder enterSeqId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); + } + + public IntColumnBuilder enterSeqId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); + } + + public StrColumnBuilder enterRepAtom1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "rep_atom_1", this); + } + + public StrColumnBuilder enterRepAtom2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "rep_atom_2", this); + } + + public FloatColumnBuilder enterDistanceLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit", this); + } + + public FloatColumnBuilder enterDistanceUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit", this); + } + + public FloatColumnBuilder enterProbability() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + } + + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + } + + public StrColumnBuilder enterModelGranularity() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_granularity", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public IntColumnBuilder enterSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + } + + } + + public static class IhmHydroxylRadicalFpRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_hydroxyl_radical_fp_restraint"; + + public IhmHydroxylRadicalFpRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + public StrColumnBuilder enterEntityDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public StrColumnBuilder enterCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + } + + public IntColumnBuilder enterSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + } + + public FloatColumnBuilder enterFpRate() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fp_rate", this); + } + + public FloatColumnBuilder enterFpRateError() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fp_rate_error", this); + } + + public FloatColumnBuilder enterLogPf() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "log_pf", this); + } + + public FloatColumnBuilder enterLogPfError() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "log_pf_error", this); + } + + public FloatColumnBuilder enterPredictedSasa() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "predicted_sasa", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public IntColumnBuilder enterSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + } + + } + + public static class IhmChemicalComponentDescriptorBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_chemical_component_descriptor"; + + public IhmChemicalComponentDescriptorBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterChemicalName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "chemical_name", this); + } + + public StrColumnBuilder enterCommonName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "common_name", this); + } + + public StrColumnBuilder enterAuthName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_name", this); + } + + public StrColumnBuilder enterSmiles() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "smiles", this); + } + + public StrColumnBuilder enterSmilesCanonical() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "smiles_canonical", this); + } + + public StrColumnBuilder enterInchi() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "inchi", this); + } + + public StrColumnBuilder enterInchiKey() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "inchi_key", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmProbeListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_probe_list"; + + public IhmProbeListBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterProbeId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "probe_id", this); + } + + public StrColumnBuilder enterProbeName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "probe_name", this); + } + + public StrColumnBuilder enterReactiveProbeFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reactive_probe_flag", this); + } + + public StrColumnBuilder enterReactiveProbeName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reactive_probe_name", this); + } + + public StrColumnBuilder enterProbeOrigin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "probe_origin", this); + } + + public StrColumnBuilder enterProbeLinkType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "probe_link_type", this); + } + + public IntColumnBuilder enterProbeChemCompDescriptorId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "probe_chem_comp_descriptor_id", this); + } + + public IntColumnBuilder enterReactiveProbeChemCompDescriptorId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "reactive_probe_chem_comp_descriptor_id", this); + } + + } + + public static class IhmPolyProbePositionBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_poly_probe_position"; + + public IhmPolyProbePositionBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterEntityDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + } + + public IntColumnBuilder enterSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + } + + public StrColumnBuilder enterCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + } + + public StrColumnBuilder enterMutationFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mutation_flag", this); + } + + public StrColumnBuilder enterMutResChemCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mut_res_chem_comp_id", this); + } + + public StrColumnBuilder enterModificationFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modification_flag", this); + } + + public IntColumnBuilder enterModResChemCompDescriptorId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "mod_res_chem_comp_descriptor_id", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + } + + public static class IhmPolyProbeConjugateBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_poly_probe_conjugate"; + + public IhmPolyProbeConjugateBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterProbeId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "probe_id", this); + } + + public IntColumnBuilder enterPositionId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "position_id", this); + } + + public IntColumnBuilder enterChemCompDescriptorId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "chem_comp_descriptor_id", this); + } + + public StrColumnBuilder enterAmbiguousStoichiometryFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ambiguous_stoichiometry_flag", this); + } + + public FloatColumnBuilder enterProbeStoichiometry() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probe_stoichiometry", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + } + + public static class IhmLigandProbeBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_ligand_probe"; + + public IhmLigandProbeBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterProbeId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "probe_id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + } + + public static class IhmEprRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_epr_restraint"; + + public IhmEprRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public StrColumnBuilder enterFittingParticleType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_particle_type", this); + } + + public StrColumnBuilder enterFittingMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method", this); + } + + public StrColumnBuilder enterFittingMethodCitationId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method_citation_id", this); + } + + public StrColumnBuilder enterFittingState() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_state", this); + } + + public IntColumnBuilder enterFittingSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "fitting_software_id", this); + } + + public FloatColumnBuilder enterChiValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "chi_value", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmCrossLinkListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_cross_link_list"; + + public IhmCrossLinkListBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + public StrColumnBuilder enterEntityDescription1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description_1", this); + } + + public StrColumnBuilder enterEntityDescription2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description_2", this); + } + + public StrColumnBuilder enterEntityId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); + } + + public StrColumnBuilder enterEntityId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); + } + + public StrColumnBuilder enterCompId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); + } + + public StrColumnBuilder enterCompId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); + } + + public IntColumnBuilder enterSeqId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); + } + + public IntColumnBuilder enterSeqId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); + } + + public StrColumnBuilder enterLinkerType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "linker_type", this); + } + + public IntColumnBuilder enterLinkerChemCompDescriptorId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "linker_chem_comp_descriptor_id", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmCrossLinkRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_cross_link_restraint"; + + public IhmCrossLinkRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + public StrColumnBuilder enterEntityId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); + } + + public StrColumnBuilder enterEntityId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); + } + + public StrColumnBuilder enterAsymId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_1", this); + } + + public StrColumnBuilder enterAsymId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_2", this); + } + + public StrColumnBuilder enterCompId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); + } + + public StrColumnBuilder enterCompId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); + } + + public IntColumnBuilder enterSeqId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); + } + + public IntColumnBuilder enterSeqId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); + } + + public StrColumnBuilder enterAtomId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_1", this); + } + + public StrColumnBuilder enterAtomId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_2", this); + } + + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + } + + public StrColumnBuilder enterConditionalCrosslinkFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "conditional_crosslink_flag", this); + } + + public StrColumnBuilder enterModelGranularity() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_granularity", this); + } + + public FloatColumnBuilder enterDistanceThreshold() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_threshold", this); + } + + public FloatColumnBuilder enterPsi() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "psi", this); + } + + public FloatColumnBuilder enterSigma1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sigma_1", this); + } + + public FloatColumnBuilder enterSigma2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sigma_2", this); + } + + public StrColumnBuilder enterPseudoSiteFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pseudo_site_flag", this); + } + + } + + public static class IhmCrossLinkPseudoSiteBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_cross_link_pseudo_site"; + + public IhmCrossLinkPseudoSiteBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); + } + + public StrColumnBuilder enterCrossLinkPartner() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cross_link_partner", this); + } + + public IntColumnBuilder enterPseudoSiteId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pseudo_site_id", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + } + + public static class IhmCrossLinkResultBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_cross_link_result"; + + public IhmCrossLinkResultBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); + } + + public IntColumnBuilder enterEnsembleId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + } + + public IntColumnBuilder enterNumModels() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models", this); + } + + public IntColumnBuilder enterModelGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); + } + + public FloatColumnBuilder enterDistanceThreshold() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_threshold", this); + } + + public FloatColumnBuilder enterMedianDistance() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "median_distance", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmCrossLinkResultParametersBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_cross_link_result_parameters"; + + public IhmCrossLinkResultParametersBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public FloatColumnBuilder enterPsi() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "psi", this); + } + + public FloatColumnBuilder enterSigma1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sigma_1", this); + } + + public FloatColumnBuilder enterSigma2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sigma_2", this); + } + + } + + public static class Ihm2demClassAverageRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_2dem_class_average_restraint"; + + public Ihm2demClassAverageRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public IntColumnBuilder enterNumberRawMicrographs() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_raw_micrographs", this); + } + + public FloatColumnBuilder enterPixelSizeWidth() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pixel_size_width", this); + } + + public FloatColumnBuilder enterPixelSizeHeight() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pixel_size_height", this); + } + + public FloatColumnBuilder enterImageResolution() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "image_resolution", this); + } + + public StrColumnBuilder enterImageSegmentFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "image_segment_flag", this); + } + + public IntColumnBuilder enterNumberOfProjections() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_of_projections", this); + } + + public IntColumnBuilder enterStructAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class Ihm2demClassAverageFittingBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_2dem_class_average_fitting"; + + public Ihm2demClassAverageFittingBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public FloatColumnBuilder enterCrossCorrelationCoefficient() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cross_correlation_coefficient", this); + } + + public FloatColumnBuilder enterRotMatrix11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][1]", this); + } + + public FloatColumnBuilder enterRotMatrix21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][1]", this); + } + + public FloatColumnBuilder enterRotMatrix31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][1]", this); + } + + public FloatColumnBuilder enterRotMatrix12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][2]", this); + } + + public FloatColumnBuilder enterRotMatrix22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][2]", this); + } + + public FloatColumnBuilder enterRotMatrix32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][2]", this); + } + + public FloatColumnBuilder enterRotMatrix13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][3]", this); + } + + public FloatColumnBuilder enterRotMatrix23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][3]", this); + } + + public FloatColumnBuilder enterRotMatrix33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][3]", this); + } + + public FloatColumnBuilder enterTrVector1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[1]", this); + } + + public FloatColumnBuilder enterTrVector2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[2]", this); + } + + public FloatColumnBuilder enterTrVector3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[3]", this); + } + + } + + public static class Ihm3demRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_3dem_restraint"; + + public Ihm3demRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public IntColumnBuilder enterStructAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + } + + public StrColumnBuilder enterFittingMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method", this); + } + + public IntColumnBuilder enterNumberOfGaussians() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_of_gaussians", this); + } + + public StrColumnBuilder enterMapSegmentFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "map_segment_flag", this); + } + + public FloatColumnBuilder enterCrossCorrelationCoefficient() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cross_correlation_coefficient", this); + } + + public StrColumnBuilder enterFittingMethodCitationId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method_citation_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmSasRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_sas_restraint"; + + public IhmSasRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public IntColumnBuilder enterStructAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + } + + public StrColumnBuilder enterProfileSegmentFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "profile_segment_flag", this); + } + + public StrColumnBuilder enterFittingAtomType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_atom_type", this); + } + + public StrColumnBuilder enterFittingMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method", this); + } + + public StrColumnBuilder enterFittingState() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_state", this); + } + + public FloatColumnBuilder enterRadiusOfGyration() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "radius_of_gyration", this); + } + + public FloatColumnBuilder enterChiValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "chi_value", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmHdxRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_hdx_restraint"; + + public IhmHdxRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + } + + public FloatColumnBuilder enterProtectionFactor() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "protection_factor", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmStartingModelCoordBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_starting_model_coord"; + + public IhmStartingModelCoordBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + } + + public StrColumnBuilder enterStartingModelId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + } + + public StrColumnBuilder enterGroupPDB() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_PDB", this); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterTypeSymbol() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type_symbol", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterAtomId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id", this); + } + + public StrColumnBuilder enterCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + } + + public IntColumnBuilder enterSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public FloatColumnBuilder enterCartnX() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x", this); + } + + public FloatColumnBuilder enterCartnY() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y", this); + } + + public FloatColumnBuilder enterCartnZ() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z", this); + } + + public FloatColumnBuilder enterBIsoOrEquiv() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_iso_or_equiv", this); + } + + public IntColumnBuilder enterFormalCharge() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "formal_charge", this); + } + + } + + public static class IhmSphereObjSiteBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_sphere_obj_site"; + + public IhmSphereObjSiteBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public IntColumnBuilder enterSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + } + + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public FloatColumnBuilder enterCartnX() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x", this); + } + + public FloatColumnBuilder enterCartnY() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y", this); + } + + public FloatColumnBuilder enterCartnZ() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z", this); + } + + public FloatColumnBuilder enterObjectRadius() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "object_radius", this); + } + + public FloatColumnBuilder enterRmsf() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rmsf", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + } + + public static class IhmGaussianObjSiteBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_gaussian_obj_site"; + + public IhmGaussianObjSiteBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public IntColumnBuilder enterSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + } + + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public FloatColumnBuilder enterMeanCartnX() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_x", this); + } + + public FloatColumnBuilder enterMeanCartnY() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_y", this); + } + + public FloatColumnBuilder enterMeanCartnZ() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_z", this); + } + + public FloatColumnBuilder enterWeight() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "weight", this); + } + + public FloatColumnBuilder enterCovarianceMatrix11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][1]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][2]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][3]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][1]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][2]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][3]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][1]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][2]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][3]", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + } + + public static class IhmGaussianObjEnsembleBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_gaussian_obj_ensemble"; + + public IhmGaussianObjEnsembleBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public IntColumnBuilder enterSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + } + + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public FloatColumnBuilder enterMeanCartnX() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_x", this); + } + + public FloatColumnBuilder enterMeanCartnY() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_y", this); + } + + public FloatColumnBuilder enterMeanCartnZ() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_z", this); + } + + public FloatColumnBuilder enterWeight() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "weight", this); + } + + public FloatColumnBuilder enterCovarianceMatrix11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][1]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][2]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][3]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][1]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][2]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][3]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][1]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][2]", this); + } + + public FloatColumnBuilder enterCovarianceMatrix33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][3]", this); + } + + public IntColumnBuilder enterEnsembleId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + } + + } + + public static class IhmPseudoSiteBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_pseudo_site"; + + public IhmPseudoSiteBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public FloatColumnBuilder enterCartnX() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x", this); + } + + public FloatColumnBuilder enterCartnY() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y", this); + } + + public FloatColumnBuilder enterCartnZ() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z", this); + } + + public FloatColumnBuilder enterRadius() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "radius", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + } + + public static class IhmResiduesNotModeledBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_residues_not_modeled"; + + public IhmResiduesNotModeledBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public StrColumnBuilder enterEntityDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public IntColumnBuilder enterSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + } + + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + } + + public StrColumnBuilder enterCompIdBegin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_begin", this); + } + + public StrColumnBuilder enterCompIdEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_end", this); + } + + public StrColumnBuilder enterReason() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reason", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmFeatureListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_feature_list"; + + public IhmFeatureListBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + } + + public StrColumnBuilder enterFeatureType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "feature_type", this); + } + + public StrColumnBuilder enterEntityType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_type", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmPseudoSiteFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_pseudo_site_feature"; + + public IhmPseudoSiteFeatureBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + } + + public IntColumnBuilder enterPseudoSiteId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pseudo_site_id", this); + } + + } + + public static class IhmPolyAtomFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_poly_atom_feature"; + + public IhmPolyAtomFeatureBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + } + + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public StrColumnBuilder enterCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + } + + public IntColumnBuilder enterSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + } + + public StrColumnBuilder enterAtomId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id", this); + } + + } + + public static class IhmPolyResidueFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_poly_residue_feature"; + + public IhmPolyResidueFeatureBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + } + + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public StrColumnBuilder enterCompIdBegin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_begin", this); + } + + public StrColumnBuilder enterCompIdEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_end", this); + } + + public IntColumnBuilder enterSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + } + + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + } + + public StrColumnBuilder enterResidueRangeGranularity() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "residue_range_granularity", this); + } + + public StrColumnBuilder enterRepAtom() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "rep_atom", this); + } + + public StrColumnBuilder enterInterfaceResidueFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "interface_residue_flag", this); + } + + } + + public static class IhmNonPolyFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_non_poly_feature"; + + public IhmNonPolyFeatureBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + } + + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public StrColumnBuilder enterCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + } + + public StrColumnBuilder enterAtomId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id", this); + } + + } + + public static class IhmInterfaceResidueFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_interface_residue_feature"; + + public IhmInterfaceResidueFeatureBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + } + + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + } + + public StrColumnBuilder enterBindingPartnerEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "binding_partner_entity_id", this); + } + + public StrColumnBuilder enterBindingPartnerAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "binding_partner_asym_id", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmDerivedDistanceRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_derived_distance_restraint"; + + public IhmDerivedDistanceRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + public IntColumnBuilder enterFeatureId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_1", this); + } + + public IntColumnBuilder enterFeatureId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_2", this); + } + + public StrColumnBuilder enterGroupConditionality() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_conditionality", this); + } + + public FloatColumnBuilder enterRandomExclusionFraction() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "random_exclusion_fraction", this); + } + + public FloatColumnBuilder enterDistanceLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit", this); + } + + public FloatColumnBuilder enterDistanceUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit", this); + } + + public FloatColumnBuilder enterDistanceLowerLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit_esd", this); + } + + public FloatColumnBuilder enterDistanceUpperLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit_esd", this); + } + + public FloatColumnBuilder enterProbability() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + } + + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + } + + public FloatColumnBuilder enterMicValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mic_value", this); + } + + public FloatColumnBuilder enterDistanceThresholdMean() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_threshold_mean", this); + } + + public FloatColumnBuilder enterDistanceThresholdEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_threshold_esd", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + } + + public static class IhmDerivedAngleRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_derived_angle_restraint"; + + public IhmDerivedAngleRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + public IntColumnBuilder enterFeatureId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_1", this); + } + + public IntColumnBuilder enterFeatureId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_2", this); + } + + public IntColumnBuilder enterFeatureId3() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_3", this); + } + + public StrColumnBuilder enterGroupConditionality() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_conditionality", this); + } + + public FloatColumnBuilder enterAngleLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_lower_limit", this); + } + + public FloatColumnBuilder enterAngleUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_upper_limit", this); + } + + public FloatColumnBuilder enterAngleLowerLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_lower_limit_esd", this); + } + + public FloatColumnBuilder enterAngleUpperLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_upper_limit_esd", this); + } + + public FloatColumnBuilder enterProbability() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + } + + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + } + + public FloatColumnBuilder enterAngleThresholdMean() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_threshold_mean", this); + } + + public FloatColumnBuilder enterAngleThresholdEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_threshold_esd", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + } + + public static class IhmDerivedDihedralRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_derived_dihedral_restraint"; + + public IhmDerivedDihedralRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + public IntColumnBuilder enterFeatureId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_1", this); + } + + public IntColumnBuilder enterFeatureId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_2", this); + } + + public IntColumnBuilder enterFeatureId3() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_3", this); + } + + public IntColumnBuilder enterFeatureId4() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_4", this); + } + + public StrColumnBuilder enterGroupConditionality() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_conditionality", this); + } + + public FloatColumnBuilder enterDihedralLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_lower_limit", this); + } + + public FloatColumnBuilder enterDihedralUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_upper_limit", this); + } + + public FloatColumnBuilder enterDihedralLowerLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_lower_limit_esd", this); + } + + public FloatColumnBuilder enterDihedralUpperLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_upper_limit_esd", this); + } + + public FloatColumnBuilder enterProbability() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + } + + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + } + + public FloatColumnBuilder enterDihedralThresholdMean() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_threshold_mean", this); + } + + public FloatColumnBuilder enterDihedralThresholdEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_threshold_esd", this); + } + + public IntColumnBuilder enterDatasetListId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + } + + public static class IhmGeometricObjectListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_list"; + + public IhmGeometricObjectListBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterObjectId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + } + + public StrColumnBuilder enterObjectType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "object_type", this); + } + + public StrColumnBuilder enterObjectName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "object_name", this); + } + + public StrColumnBuilder enterObjectDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "object_description", this); + } + + } + + public static class IhmGeometricObjectCenterBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_center"; + + public IhmGeometricObjectCenterBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public FloatColumnBuilder enterXcoord() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "xcoord", this); + } + + public FloatColumnBuilder enterYcoord() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ycoord", this); + } + + public FloatColumnBuilder enterZcoord() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "zcoord", this); + } + + } + + public static class IhmGeometricObjectTransformationBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_transformation"; + + public IhmGeometricObjectTransformationBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public FloatColumnBuilder enterRotMatrix11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][1]", this); + } + + public FloatColumnBuilder enterRotMatrix21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][1]", this); + } + + public FloatColumnBuilder enterRotMatrix31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][1]", this); + } + + public FloatColumnBuilder enterRotMatrix12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][2]", this); + } + + public FloatColumnBuilder enterRotMatrix22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][2]", this); + } + + public FloatColumnBuilder enterRotMatrix32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][2]", this); + } + + public FloatColumnBuilder enterRotMatrix13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][3]", this); + } + + public FloatColumnBuilder enterRotMatrix23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][3]", this); + } + + public FloatColumnBuilder enterRotMatrix33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][3]", this); + } + + public FloatColumnBuilder enterTrVector1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[1]", this); + } + + public FloatColumnBuilder enterTrVector2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[2]", this); + } + + public FloatColumnBuilder enterTrVector3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[3]", this); + } + + } + + public static class IhmGeometricObjectSphereBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_sphere"; + + public IhmGeometricObjectSphereBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterObjectId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + } + + public IntColumnBuilder enterCenterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "center_id", this); + } + + public IntColumnBuilder enterTransformationId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + } + + public FloatColumnBuilder enterRadiusR() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "radius_r", this); + } + + } + + public static class IhmGeometricObjectTorusBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_torus"; + + public IhmGeometricObjectTorusBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterObjectId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + } + + public IntColumnBuilder enterCenterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "center_id", this); + } + + public IntColumnBuilder enterTransformationId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + } + + public FloatColumnBuilder enterMajorRadiusR() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "major_radius_R", this); + } + + public FloatColumnBuilder enterMinorRadiusR() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "minor_radius_r", this); + } + + } + + public static class IhmGeometricObjectHalfTorusBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_half_torus"; + + public IhmGeometricObjectHalfTorusBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterObjectId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + } + + public FloatColumnBuilder enterThicknessTh() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "thickness_th", this); + } + + public StrColumnBuilder enterSection() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "section", this); + } + + } + + public static class IhmGeometricObjectAxisBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_axis"; + + public IhmGeometricObjectAxisBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { + public IntColumnBuilder enterObjectId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + } + + public StrColumnBuilder enterAxisType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axis_type", this); + } + + public IntColumnBuilder enterTransformationId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + } + + } + + public static class IhmGeometricObjectPlaneBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_plane"; + + public IhmGeometricObjectPlaneBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterObjectId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + } + + public StrColumnBuilder enterPlaneType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "plane_type", this); + } + + public IntColumnBuilder enterTransformationId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + } + + } + + public static class IhmGeometricObjectDistanceRestraintBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_geometric_object_distance_restraint"; + + public IhmGeometricObjectDistanceRestraintBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public IntColumnBuilder enterObjectId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); } - public StrColumnBuilder enterEntityDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public StrColumnBuilder enterObjectCharacteristic() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "object_characteristic", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); } - public StrColumnBuilder enterCompId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + public FloatColumnBuilder enterHarmonicForceConstant() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "harmonic_force_constant", this); } - public IntColumnBuilder enterSeqId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + public StrColumnBuilder enterGroupConditionality() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_conditionality", this); } - public FloatColumnBuilder enterFpRate() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fp_rate", this); + public FloatColumnBuilder enterDistanceLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit", this); } - public FloatColumnBuilder enterFpRateError() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "fp_rate_error", this); + public FloatColumnBuilder enterDistanceUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit", this); } - public FloatColumnBuilder enterLogPf() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "log_pf", this); + public FloatColumnBuilder enterDistanceLowerLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit_esd", this); } - public FloatColumnBuilder enterLogPfError() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "log_pf_error", this); + public FloatColumnBuilder enterDistanceUpperLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit_esd", this); } - public FloatColumnBuilder enterPredictedSasa() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "predicted_sasa", this); + public FloatColumnBuilder enterDistanceProbability() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_probability", this); } - public IntColumnBuilder enterDatasetListId() { + public IntColumnBuilder enterDatasetListId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); } - public IntColumnBuilder enterSoftwareId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmChemicalComponentDescriptorBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_chemical_component_descriptor"; + public static class IhmEntryCollectionBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_entry_collection"; - public IhmChemicalComponentDescriptorBuilder(MmCifBlockBuilder parent) { + public IhmEntryCollectionBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { + public StrColumnBuilder enterId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class IhmEntryCollectionMappingBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_entry_collection_mapping"; + + public IhmEntryCollectionMappingBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterCollectionId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "collection_id", this); + } + + public StrColumnBuilder enterEntryId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entry_id", this); + } + + } + + public static class IhmMultiStateSchemeBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_multi_state_scheme"; + + public IhmMultiStateSchemeBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterChemicalName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "chemical_name", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } - public StrColumnBuilder enterCommonName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "common_name", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public StrColumnBuilder enterAuthName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_name", this); + } + + public static class IhmMultiStateSchemeConnectivityBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_multi_state_scheme_connectivity"; + + public IhmMultiStateSchemeConnectivityBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterSmiles() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "smiles", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterSmilesCanonical() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "smiles_canonical", this); + public IntColumnBuilder enterSchemeId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "scheme_id", this); } - public StrColumnBuilder enterInchi() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "inchi", this); + public IntColumnBuilder enterBeginStateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "begin_state_id", this); } - public StrColumnBuilder enterInchiKey() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "inchi_key", this); + public IntColumnBuilder enterEndStateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "end_state_id", this); } - public StrColumnBuilder enterDetails() { + public IntColumnBuilder enterDatasetGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_group_id", this); + } + + public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmProbeListBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_probe_list"; + public static class IhmKineticRateBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_kinetic_rate"; - public IhmProbeListBuilder(MmCifBlockBuilder parent) { + public IhmKineticRateBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterProbeId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "probe_id", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterProbeName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "probe_name", this); + public FloatColumnBuilder enterTransitionRateConstant() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "transition_rate_constant", this); } - public StrColumnBuilder enterReactiveProbeFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reactive_probe_flag", this); + public FloatColumnBuilder enterEquilibriumConstant() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "equilibrium_constant", this); } - public StrColumnBuilder enterReactiveProbeName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reactive_probe_name", this); + public StrColumnBuilder enterEquilibriumConstantDeterminationMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "equilibrium_constant_determination_method", this); } - public StrColumnBuilder enterProbeOrigin() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "probe_origin", this); + public StrColumnBuilder enterEquilibriumConstantUnit() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "equilibrium_constant_unit", this); } - public StrColumnBuilder enterProbeLinkType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "probe_link_type", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public IntColumnBuilder enterProbeChemCompDescriptorId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "probe_chem_comp_descriptor_id", this); + public IntColumnBuilder enterSchemeConnectivityId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "scheme_connectivity_id", this); } - public IntColumnBuilder enterReactiveProbeChemCompDescriptorId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "reactive_probe_chem_comp_descriptor_id", this); + public IntColumnBuilder enterDatasetGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_group_id", this); + } + + public IntColumnBuilder enterExternalFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "external_file_id", this); } } - public static class IhmPolyProbePositionBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_poly_probe_position"; + public static class IhmRelaxationTimeBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_relaxation_time"; - public IhmPolyProbePositionBuilder(MmCifBlockBuilder parent) { + public IhmRelaxationTimeBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { + public IntColumnBuilder enterId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public FloatColumnBuilder enterValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "value", this); } - public StrColumnBuilder enterEntityDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + public StrColumnBuilder enterUnit() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "unit", this); } - public IntColumnBuilder enterSeqId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + public FloatColumnBuilder enterAmplitude() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "amplitude", this); } - public StrColumnBuilder enterCompId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + public IntColumnBuilder enterDatasetGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_group_id", this); } - public StrColumnBuilder enterMutationFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mutation_flag", this); + public IntColumnBuilder enterExternalFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "external_file_id", this); } - public StrColumnBuilder enterMutResChemCompId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mut_res_chem_comp_id", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public StrColumnBuilder enterModificationFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "modification_flag", this); + } + + public static class IhmRelaxationTimeMultiStateSchemeBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ihm_relaxation_time_multi_state_scheme"; + + public IhmRelaxationTimeMultiStateSchemeBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterModResChemCompDescriptorId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "mod_res_chem_comp_descriptor_id", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public IntColumnBuilder enterRelaxationTimeId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "relaxation_time_id", this); + } + + public IntColumnBuilder enterSchemeId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "scheme_id", this); + } + + public IntColumnBuilder enterSchemeConnectivityId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "scheme_connectivity_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmPolyProbeConjugateBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_poly_probe_conjugate"; + public static class MaModelListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_model_list"; - public IhmPolyProbeConjugateBuilder(MmCifBlockBuilder parent) { + public MaModelListBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterProbeId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "probe_id", this); + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); } - public IntColumnBuilder enterPositionId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "position_id", this); + public IntColumnBuilder enterModelGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); } - public IntColumnBuilder enterChemCompDescriptorId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "chem_comp_descriptor_id", this); + public StrColumnBuilder enterModelName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_name", this); } - public StrColumnBuilder enterAmbiguousStoichiometryFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ambiguous_stoichiometry_flag", this); + public StrColumnBuilder enterModelGroupName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_group_name", this); } - public FloatColumnBuilder enterProbeStoichiometry() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probe_stoichiometry", this); + public IntColumnBuilder enterAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterModelType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_type", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public StrColumnBuilder enterModelTypeOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_type_other_details", this); + } + + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } } - public static class IhmLigandProbeBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_ligand_probe"; + public static class MaModelGroupBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_model_group"; - public IhmLigandProbeBuilder(MmCifBlockBuilder parent) { + public MaModelGroupBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterProbeId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "probe_id", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } - public StrColumnBuilder enterDetails() { + public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + } + + public static class MaModelGroupLinkBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_model_group_link"; + + public MaModelGroupLinkBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); } } - public static class IhmEprRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_epr_restraint"; + public static class MaModelRepresentativeBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_model_representative"; - public IhmEprRestraintBuilder(MmCifBlockBuilder parent) { + public MaModelRepresentativeBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterOrdinalId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public IntColumnBuilder enterModelGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_group_id", this); } - public IntColumnBuilder enterModelId() { + public IntColumnBuilder enterModelId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); } - public StrColumnBuilder enterFittingParticleType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_particle_type", this); + public StrColumnBuilder enterSelectionCriteria() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "selection_criteria", this); } - public StrColumnBuilder enterFittingMethod() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method", this); + } + + public static class MaTemplateDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_details"; + + public MaTemplateDetailsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterFittingMethodCitationId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method_citation_id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public StrColumnBuilder enterFittingState() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_state", this); + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); } - public IntColumnBuilder enterFittingSoftwareId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "fitting_software_id", this); + public StrColumnBuilder enterTemplateEntityType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_entity_type", this); } - public FloatColumnBuilder enterChiValue() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "chi_value", this); + public StrColumnBuilder enterTemplateOrigin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_origin", this); } - public StrColumnBuilder enterDetails() { + public IntColumnBuilder enterTemplateDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_data_id", this); + } + + public StrColumnBuilder enterTargetAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target_asym_id", this); + } + + public StrColumnBuilder enterTemplateAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_auth_asym_id", this); + } + + public StrColumnBuilder enterTemplateLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_label_asym_id", this); + } + + public StrColumnBuilder enterTemplateLabelEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_label_entity_id", this); + } + + public IntColumnBuilder enterTemplateModelNum() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_model_num", this); + } + + public IntColumnBuilder enterTemplateTransMatrixId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_trans_matrix_id", this); + } + + public StrColumnBuilder enterTemplateName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_name", this); + } + + public StrColumnBuilder enterTemplateDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "template_description", this); + } + + } + + public static class MaTemplatePolyBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_poly"; + + public MaTemplatePolyBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); + } + + public StrColumnBuilder enterSeqOneLetterCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_one_letter_code", this); + } + + public StrColumnBuilder enterSeqOneLetterCodeCan() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_one_letter_code_can", this); + } + + public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmCrossLinkListBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_cross_link_list"; + public static class MaTemplateNonPolyBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_non_poly"; - public IhmCrossLinkListBuilder(MmCifBlockBuilder parent) { + public MaTemplateNonPolyBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); + } + + public StrColumnBuilder enterCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + } + + public StrColumnBuilder enterSmiles() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "smiles", this); + } + + public StrColumnBuilder enterSmilesCanonical() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "smiles_canonical", this); + } + + public StrColumnBuilder enterInchi() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "inchi", this); + } + + public StrColumnBuilder enterInchiKey() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "inchi_key", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class MaTemplateBranchedBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_branched"; + + public MaTemplateBranchedBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + } + + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); + } + + public StrColumnBuilder enterDescriptorType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "descriptor_type", this); + } + + public StrColumnBuilder enterDescriptorValue() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "descriptor_value", this); + } + + public IntColumnBuilder enterDescriptorSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "descriptor_software_id", this); + } + + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class MaTemplatePolySegmentBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_poly_segment"; + + public MaTemplatePolySegmentBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); } - public StrColumnBuilder enterEntityDescription1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description_1", this); + public IntColumnBuilder enterResidueNumberBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "residue_number_begin", this); } - public StrColumnBuilder enterEntityDescription2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description_2", this); + public IntColumnBuilder enterResidueNumberEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "residue_number_end", this); } - public StrColumnBuilder enterEntityId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); + public StrColumnBuilder enterResidueNameBegin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "residue_name_begin", this); } - public StrColumnBuilder enterEntityId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); + public StrColumnBuilder enterResidueNameEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "residue_name_end", this); } - public StrColumnBuilder enterCompId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); + public IntColumnBuilder enterSegmentLength() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "segment_length", this); } - public StrColumnBuilder enterCompId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); + } + + public static class MaTemplateRefDbDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_ref_db_details"; + + public MaTemplateRefDbDetailsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterSeqId1() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); } - public IntColumnBuilder enterSeqId2() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); + public StrColumnBuilder enterDbName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name", this); } - public StrColumnBuilder enterLinkerType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "linker_type", this); + public StrColumnBuilder enterDbNameOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name_other_details", this); } - public IntColumnBuilder enterLinkerChemCompDescriptorId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "linker_chem_comp_descriptor_id", this); + public StrColumnBuilder enterDbAccessionCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_accession_code", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public StrColumnBuilder enterDbVersionDate() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_version_date", this); } - public StrColumnBuilder enterDetails() { + } + + public static class MaTemplateCustomizedBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_customized"; + + public MaTemplateCustomizedBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); + } + + public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmCrossLinkRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_cross_link_restraint"; + public static class MaTemplateTransMatrixBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_trans_matrix"; - public IhmCrossLinkRestraintBuilder(MmCifBlockBuilder parent) { + public MaTemplateTransMatrixBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { + public IntColumnBuilder enterId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public FloatColumnBuilder enterRotMatrix11() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][1]", this); } - public StrColumnBuilder enterEntityId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); + public FloatColumnBuilder enterRotMatrix21() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][1]", this); } - public StrColumnBuilder enterEntityId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); + public FloatColumnBuilder enterRotMatrix31() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][1]", this); } - public StrColumnBuilder enterAsymId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_1", this); + public FloatColumnBuilder enterRotMatrix12() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][2]", this); } - public StrColumnBuilder enterAsymId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_2", this); + public FloatColumnBuilder enterRotMatrix22() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][2]", this); } - public StrColumnBuilder enterCompId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); + public FloatColumnBuilder enterRotMatrix32() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][2]", this); } - public StrColumnBuilder enterCompId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); + public FloatColumnBuilder enterRotMatrix13() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][3]", this); } - public IntColumnBuilder enterSeqId1() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); + public FloatColumnBuilder enterRotMatrix23() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][3]", this); } - public IntColumnBuilder enterSeqId2() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); + public FloatColumnBuilder enterRotMatrix33() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][3]", this); } - public StrColumnBuilder enterAtomId1() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_1", this); + public FloatColumnBuilder enterTrVector1() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[1]", this); } - public StrColumnBuilder enterAtomId2() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_2", this); + public FloatColumnBuilder enterTrVector2() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[2]", this); } - public StrColumnBuilder enterRestraintType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + public FloatColumnBuilder enterTrVector3() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[3]", this); + } + + } + + public static class MaTargetEntityBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_target_entity"; + + public MaTargetEntityBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); + } + + public StrColumnBuilder enterOrigin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "origin", this); + } + + } + + public static class MaTargetEntityInstanceBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_target_entity_instance"; + + public MaTargetEntityInstanceBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + } + + public static class MaTargetRefDbDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_target_ref_db_details"; + + public MaTargetRefDbDetailsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); + } + + public StrColumnBuilder enterTargetEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target_entity_id", this); + } + + public StrColumnBuilder enterDbName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name", this); + } + + public StrColumnBuilder enterDbNameOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name_other_details", this); + } + + public StrColumnBuilder enterDbCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_code", this); + } + + public StrColumnBuilder enterDbAccession() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_accession", this); + } + + public StrColumnBuilder enterSeqDbIsoform() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_db_isoform", this); + } + + public StrColumnBuilder enterSeqDbAlignBegin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_db_align_begin", this); } - public StrColumnBuilder enterConditionalCrosslinkFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "conditional_crosslink_flag", this); + public StrColumnBuilder enterSeqDbAlignEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_db_align_end", this); } - public StrColumnBuilder enterModelGranularity() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_granularity", this); + public StrColumnBuilder enterNcbiTaxonomyId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "ncbi_taxonomy_id", this); } - public FloatColumnBuilder enterDistanceThreshold() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_threshold", this); + public StrColumnBuilder enterOrganismScientific() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "organism_scientific", this); } - public FloatColumnBuilder enterPsi() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "psi", this); + public StrColumnBuilder enterGeneName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "gene_name", this); } - public FloatColumnBuilder enterSigma1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sigma_1", this); + public StrColumnBuilder enterSeqDbSequenceChecksum() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_db_sequence_checksum", this); } - public FloatColumnBuilder enterSigma2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sigma_2", this); + public StrColumnBuilder enterSeqDbSequenceVersionDate() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_db_sequence_version_date", this); } - public StrColumnBuilder enterPseudoSiteFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "pseudo_site_flag", this); + public StrColumnBuilder enterIsPrimary() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "is_primary", this); } } - public static class IhmCrossLinkPseudoSiteBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_cross_link_pseudo_site"; + public static class MaTargetTemplatePolyMappingBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_target_template_poly_mapping"; - public IhmCrossLinkPseudoSiteBuilder(MmCifBlockBuilder parent) { + public MaTargetTemplatePolyMappingBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { + public IntColumnBuilder enterId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterRestraintId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); + public IntColumnBuilder enterTemplateSegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_segment_id", this); } - public StrColumnBuilder enterCrossLinkPartner() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "cross_link_partner", this); + public StrColumnBuilder enterTargetAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target_asym_id", this); } - public IntColumnBuilder enterPseudoSiteId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pseudo_site_id", this); + public IntColumnBuilder enterTargetSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "target_seq_id_begin", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public IntColumnBuilder enterTargetSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "target_seq_id_end", this); } } - public static class IhmCrossLinkResultBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_cross_link_result"; + public static class MaStructAssemblyBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_struct_assembly"; - public IhmCrossLinkResultBuilder(MmCifBlockBuilder parent) { + public MaStructAssemblyBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterRestraintId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); + public IntColumnBuilder enterAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); } - public IntColumnBuilder enterEnsembleId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + public StrColumnBuilder enterEntityDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); } - public IntColumnBuilder enterNumModels() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "num_models", this); + public StrColumnBuilder enterEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); } - public FloatColumnBuilder enterDistanceThreshold() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_threshold", this); + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); } - public FloatColumnBuilder enterMedianDistance() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "median_distance", this); + public IntColumnBuilder enterSeqIdBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public IntColumnBuilder enterSeqIdEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); } } - public static class IhmCrossLinkResultParametersBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_cross_link_result_parameters"; + public static class MaStructAssemblyDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_struct_assembly_details"; - public IhmCrossLinkResultParametersBuilder(MmCifBlockBuilder parent) { + public MaStructAssemblyDetailsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterAssemblyId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "assembly_id", this); } - public IntColumnBuilder enterRestraintId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); + public StrColumnBuilder enterAssemblyName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "assembly_name", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public StrColumnBuilder enterAssemblyDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "assembly_description", this); } - public FloatColumnBuilder enterPsi() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "psi", this); + } + + public static class MaAlignmentInfoBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_alignment_info"; + + public MaAlignmentInfoBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterSigma1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sigma_1", this); + public IntColumnBuilder enterAlignmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "alignment_id", this); } - public FloatColumnBuilder enterSigma2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "sigma_2", this); + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); + } + + public IntColumnBuilder enterSoftwareGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_group_id", this); + } + + public IntColumnBuilder enterAlignmentLength() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "alignment_length", this); + } + + public StrColumnBuilder enterAlignmentType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "alignment_type", this); + } + + public StrColumnBuilder enterAlignmentTypeOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "alignment_type_other_details", this); + } + + public StrColumnBuilder enterAlignmentMode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "alignment_mode", this); } } - public static class Ihm2demClassAverageRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_2dem_class_average_restraint"; + public static class MaAlignmentDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_alignment_details"; - public Ihm2demClassAverageRestraintBuilder(MmCifBlockBuilder parent) { + public MaAlignmentDetailsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public IntColumnBuilder enterAlignmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "alignment_id", this); } - public IntColumnBuilder enterNumberRawMicrographs() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_raw_micrographs", this); + public IntColumnBuilder enterTemplateSegmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_segment_id", this); } - public FloatColumnBuilder enterPixelSizeWidth() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pixel_size_width", this); + public StrColumnBuilder enterTargetAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target_asym_id", this); } - public FloatColumnBuilder enterPixelSizeHeight() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "pixel_size_height", this); + public StrColumnBuilder enterScoreType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "score_type", this); } - public FloatColumnBuilder enterImageResolution() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "image_resolution", this); + public StrColumnBuilder enterScoreTypeOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "score_type_other_details", this); } - public StrColumnBuilder enterImageSegmentFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "image_segment_flag", this); + public FloatColumnBuilder enterScoreValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "score_value", this); } - public IntColumnBuilder enterNumberOfProjections() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_of_projections", this); + public FloatColumnBuilder enterPercentSequenceIdentity() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "percent_sequence_identity", this); } - public IntColumnBuilder enterStructAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + public StrColumnBuilder enterSequenceIdentityDenominator() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sequence_identity_denominator", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterSequenceIdentityDenominatorOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sequence_identity_denominator_other_details", this); } } - public static class Ihm2demClassAverageFittingBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_2dem_class_average_fitting"; + public static class MaAlignmentBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_alignment"; - public Ihm2demClassAverageFittingBuilder(MmCifBlockBuilder parent) { + public MaAlignmentBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterRestraintId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); + public IntColumnBuilder enterAlignmentId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "alignment_id", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public StrColumnBuilder enterTargetTemplateFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target_template_flag", this); } - public FloatColumnBuilder enterCrossCorrelationCoefficient() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cross_correlation_coefficient", this); + public StrColumnBuilder enterSequence() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sequence", this); } - public FloatColumnBuilder enterRotMatrix11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][1]", this); - } + } - public FloatColumnBuilder enterRotMatrix21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][1]", this); - } + public static class MaTemplateCoordBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_template_coord"; - public FloatColumnBuilder enterRotMatrix31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][1]", this); + public MaTemplateCoordBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterRotMatrix12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][2]", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterRotMatrix22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][2]", this); + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); } - public FloatColumnBuilder enterRotMatrix32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][2]", this); + public StrColumnBuilder enterGroupPDB() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_PDB", this); } - public FloatColumnBuilder enterRotMatrix13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][3]", this); + public StrColumnBuilder enterTypeSymbol() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type_symbol", this); } - public FloatColumnBuilder enterRotMatrix23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][3]", this); + public StrColumnBuilder enterLabelEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_entity_id", this); } - public FloatColumnBuilder enterRotMatrix33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][3]", this); + public StrColumnBuilder enterLabelAtomId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_atom_id", this); } - public FloatColumnBuilder enterTrVector1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[1]", this); + public StrColumnBuilder enterLabelCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_comp_id", this); } - public FloatColumnBuilder enterTrVector2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[2]", this); + public IntColumnBuilder enterLabelSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "label_seq_id", this); } - public FloatColumnBuilder enterTrVector3() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[3]", this); + public StrColumnBuilder enterLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_asym_id", this); } - } - - public static class Ihm3demRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_3dem_restraint"; - - public Ihm3demRestraintBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public IntColumnBuilder enterAuthSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "auth_seq_id", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterAuthAtomId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_atom_id", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public StrColumnBuilder enterAuthCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_comp_id", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public StrColumnBuilder enterAuthAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "auth_asym_id", this); } - public IntColumnBuilder enterStructAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + public FloatColumnBuilder enterCartnX() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x", this); } - public StrColumnBuilder enterFittingMethod() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method", this); + public FloatColumnBuilder enterCartnY() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y", this); } - public IntColumnBuilder enterNumberOfGaussians() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "number_of_gaussians", this); + public FloatColumnBuilder enterCartnZ() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z", this); } - public StrColumnBuilder enterMapSegmentFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "map_segment_flag", this); + public FloatColumnBuilder enterOccupancy() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "occupancy", this); } - public FloatColumnBuilder enterCrossCorrelationCoefficient() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "cross_correlation_coefficient", this); + public FloatColumnBuilder enterBIsoOrEquiv() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_iso_or_equiv", this); } - public StrColumnBuilder enterFittingMethodCitationId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method_citation_id", this); + public IntColumnBuilder enterFormalCharge() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "formal_charge", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public IntColumnBuilder enterPdbModelNum() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pdb_model_num", this); } } - public static class IhmSasRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_sas_restraint"; + public static class MaDataBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_data"; - public IhmSasRestraintBuilder(MmCifBlockBuilder parent) { + public MaDataBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { + public IntColumnBuilder enterId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); - } - - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public StrColumnBuilder enterContentType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "content_type", this); } - public IntColumnBuilder enterStructAssemblyId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "struct_assembly_id", this); + public StrColumnBuilder enterContentTypeOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "content_type_other_details", this); } - public StrColumnBuilder enterProfileSegmentFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "profile_segment_flag", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } - public StrColumnBuilder enterFittingAtomType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_atom_type", this); - } + } - public StrColumnBuilder enterFittingMethod() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_method", this); - } + public static class MaDataGroupBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_data_group"; - public StrColumnBuilder enterFittingState() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "fitting_state", this); + public MaDataGroupBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterRadiusOfGyration() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "radius_of_gyration", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterChiValue() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "chi_value", this); + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } } - public static class IhmHdxRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_hdx_restraint"; + public static class MaDataRefDbBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_data_ref_db"; - public IhmHdxRestraintBuilder(MmCifBlockBuilder parent) { + public MaDataRefDbBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } - public IntColumnBuilder enterFeatureId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } - public FloatColumnBuilder enterProtectionFactor() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "protection_factor", this); + public StrColumnBuilder enterLocationUrl() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "location_url", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public StrColumnBuilder enterVersion() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "version", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterReleaseDate() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "release_date", this); } } - public static class IhmStartingModelCoordBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_starting_model_coord"; + public static class MaCoevolutionSeqDbRefBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_coevolution_seq_db_ref"; - public IhmStartingModelCoordBuilder(MmCifBlockBuilder parent) { + public MaCoevolutionSeqDbRefBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterOrdinalId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + public IntColumnBuilder enterSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); } - public StrColumnBuilder enterStartingModelId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "starting_model_id", this); + public StrColumnBuilder enterDbName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name", this); } - public StrColumnBuilder enterGroupPDB() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_PDB", this); + public StrColumnBuilder enterDbCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_code", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterDbAccession() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_accession", this); } - public StrColumnBuilder enterTypeSymbol() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type_symbol", this); + public StrColumnBuilder enterDbIsoform() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_isoform", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public StrColumnBuilder enterSeqDbAlignBegin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_db_align_begin", this); } - public StrColumnBuilder enterAtomId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id", this); + public StrColumnBuilder enterSeqDbAlignEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_db_align_end", this); } - public StrColumnBuilder enterCompId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); - } + } - public IntColumnBuilder enterSeqId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + public static class MaCoevolutionMsaBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_coevolution_msa"; + + public MaCoevolutionMsaBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterCartnX() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x", this); + public IntColumnBuilder enterMsaId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "msa_id", this); } - public FloatColumnBuilder enterCartnY() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y", this); + public IntColumnBuilder enterSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); } - public FloatColumnBuilder enterCartnZ() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z", this); + public StrColumnBuilder enterSequence() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "sequence", this); } - public FloatColumnBuilder enterBIsoOrEquiv() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "B_iso_or_equiv", this); + } + + public static class MaCoevolutionMsaDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_coevolution_msa_details"; + + public MaCoevolutionMsaDetailsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterFormalCharge() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "formal_charge", this); + public IntColumnBuilder enterMsaId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "msa_id", this); } - } + public StrColumnBuilder enterTargetEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target_entity_id", this); + } - public static class IhmSphereObjSiteBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_sphere_obj_site"; + public StrColumnBuilder enterTargetSequence() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target_sequence", this); + } - public IhmSphereObjSiteBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public StrColumnBuilder enterSeqClustDb() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_clust_db", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterSeqClustDbOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_clust_db_other_details", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public StrColumnBuilder enterSeqClustDbVersion() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "seq_clust_db_version", this); } - public IntColumnBuilder enterSeqIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } - public IntColumnBuilder enterSeqIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + public IntColumnBuilder enterSoftwareGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_group_id", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + } + + public static class MaRestraintsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_restraints"; + + public MaRestraintsBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterCartnX() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x", this); + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); } - public FloatColumnBuilder enterCartnY() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } - public FloatColumnBuilder enterCartnZ() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z", this); + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); } - public FloatColumnBuilder enterObjectRadius() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "object_radius", this); + public StrColumnBuilder enterRestraintTypeOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type_other_details", this); } - public FloatColumnBuilder enterRmsf() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rmsf", this); + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmGaussianObjSiteBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_gaussian_obj_site"; + public static class MaDistanceRestraintsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_distance_restraints"; - public IhmGaussianObjSiteBuilder(MmCifBlockBuilder parent) { + public MaDistanceRestraintsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); } - public IntColumnBuilder enterSeqIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + public StrColumnBuilder enterEntityId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); } - public IntColumnBuilder enterSeqIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + public StrColumnBuilder enterEntityId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public StrColumnBuilder enterAsymId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_1", this); } - public FloatColumnBuilder enterMeanCartnX() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_x", this); + public StrColumnBuilder enterAsymId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_2", this); } - public FloatColumnBuilder enterMeanCartnY() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_y", this); + public StrColumnBuilder enterCompId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); } - public FloatColumnBuilder enterMeanCartnZ() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_z", this); + public StrColumnBuilder enterCompId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); } - public FloatColumnBuilder enterWeight() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "weight", this); + public IntColumnBuilder enterSeqId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); } - public FloatColumnBuilder enterCovarianceMatrix11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][1]", this); + public IntColumnBuilder enterSeqId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); } - public FloatColumnBuilder enterCovarianceMatrix12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][2]", this); + public StrColumnBuilder enterAtomId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_1", this); } - public FloatColumnBuilder enterCovarianceMatrix13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][3]", this); + public StrColumnBuilder enterAtomId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_2", this); } - public FloatColumnBuilder enterCovarianceMatrix21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][1]", this); + public FloatColumnBuilder enterLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "lower_limit", this); } - public FloatColumnBuilder enterCovarianceMatrix22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][2]", this); + public FloatColumnBuilder enterUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "upper_limit", this); } - public FloatColumnBuilder enterCovarianceMatrix23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][3]", this); + public FloatColumnBuilder enterLowerLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "lower_limit_esd", this); } - public FloatColumnBuilder enterCovarianceMatrix31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][1]", this); + public FloatColumnBuilder enterUpperLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "upper_limit_esd", this); } - public FloatColumnBuilder enterCovarianceMatrix32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][2]", this); + public FloatColumnBuilder enterProbability() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); } - public FloatColumnBuilder enterCovarianceMatrix33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][3]", this); + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public StrColumnBuilder enterGranularity() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "granularity", this); } } - public static class IhmGaussianObjEnsembleBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_gaussian_obj_ensemble"; + public static class MaAngleRestraintsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_angle_restraints"; - public IhmGaussianObjEnsembleBuilder(MmCifBlockBuilder parent) { + public MaAngleRestraintsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); } - public IntColumnBuilder enterSeqIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + public StrColumnBuilder enterEntityId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); } - public IntColumnBuilder enterSeqIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + public StrColumnBuilder enterEntityId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public StrColumnBuilder enterEntityId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_3", this); } - public FloatColumnBuilder enterMeanCartnX() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_x", this); + public StrColumnBuilder enterAsymId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_1", this); } - public FloatColumnBuilder enterMeanCartnY() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_y", this); + public StrColumnBuilder enterAsymId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_2", this); } - public FloatColumnBuilder enterMeanCartnZ() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mean_Cartn_z", this); + public StrColumnBuilder enterAsymId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_3", this); } - public FloatColumnBuilder enterWeight() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "weight", this); + public StrColumnBuilder enterCompId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); } - public FloatColumnBuilder enterCovarianceMatrix11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][1]", this); + public StrColumnBuilder enterCompId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); } - public FloatColumnBuilder enterCovarianceMatrix12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][2]", this); + public StrColumnBuilder enterCompId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_3", this); } - public FloatColumnBuilder enterCovarianceMatrix13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[1][3]", this); + public IntColumnBuilder enterSeqId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); } - public FloatColumnBuilder enterCovarianceMatrix21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][1]", this); + public IntColumnBuilder enterSeqId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); } - public FloatColumnBuilder enterCovarianceMatrix22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][2]", this); + public IntColumnBuilder enterSeqId3() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_3", this); } - public FloatColumnBuilder enterCovarianceMatrix23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[2][3]", this); + public StrColumnBuilder enterAtomId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_1", this); } - public FloatColumnBuilder enterCovarianceMatrix31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][1]", this); + public StrColumnBuilder enterAtomId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_2", this); } - public FloatColumnBuilder enterCovarianceMatrix32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][2]", this); + public StrColumnBuilder enterAtomId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_3", this); } - public FloatColumnBuilder enterCovarianceMatrix33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "covariance_matrix[3][3]", this); + public FloatColumnBuilder enterLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "lower_limit", this); } - public IntColumnBuilder enterEnsembleId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ensemble_id", this); + public FloatColumnBuilder enterUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "upper_limit", this); + } + + public FloatColumnBuilder enterLowerLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "lower_limit_esd", this); + } + + public FloatColumnBuilder enterUpperLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "upper_limit_esd", this); + } + + public FloatColumnBuilder enterProbability() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + } + + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + } + + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } } - public static class IhmPseudoSiteBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_pseudo_site"; + public static class MaDihedralRestraintsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_dihedral_restraints"; - public IhmPseudoSiteBuilder(MmCifBlockBuilder parent) { + public MaDihedralRestraintsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterCartnX() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_x", this); + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); } - public FloatColumnBuilder enterCartnY() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_y", this); + public StrColumnBuilder enterEntityId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_1", this); } - public FloatColumnBuilder enterCartnZ() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "Cartn_z", this); + public StrColumnBuilder enterEntityId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_2", this); } - public FloatColumnBuilder enterRadius() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "radius", this); + public StrColumnBuilder enterEntityId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_3", this); } - public StrColumnBuilder enterDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + public StrColumnBuilder enterEntityId4() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id_4", this); } - } + public StrColumnBuilder enterAsymId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_1", this); + } - public static class IhmResiduesNotModeledBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_residues_not_modeled"; + public StrColumnBuilder enterAsymId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_2", this); + } - public IhmResiduesNotModeledBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public StrColumnBuilder enterAsymId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_3", this); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public StrColumnBuilder enterAsymId4() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id_4", this); } - public IntColumnBuilder enterModelId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + public StrColumnBuilder enterCompId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_1", this); } - public StrColumnBuilder enterEntityDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_description", this); + public StrColumnBuilder enterCompId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_2", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public StrColumnBuilder enterCompId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_3", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public StrColumnBuilder enterCompId4() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_4", this); } - public IntColumnBuilder enterSeqIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + public IntColumnBuilder enterSeqId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_1", this); } - public IntColumnBuilder enterSeqIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + public IntColumnBuilder enterSeqId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_2", this); } - public StrColumnBuilder enterCompIdBegin() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_begin", this); + public IntColumnBuilder enterSeqId3() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_3", this); } - public StrColumnBuilder enterCompIdEnd() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_end", this); + public IntColumnBuilder enterSeqId4() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_4", this); + } + + public StrColumnBuilder enterAtomId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_1", this); + } + + public StrColumnBuilder enterAtomId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_2", this); + } + + public StrColumnBuilder enterAtomId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_3", this); + } + + public StrColumnBuilder enterAtomId4() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_4", this); } - public StrColumnBuilder enterReason() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reason", this); + public FloatColumnBuilder enterUncertainty() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "uncertainty", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public FloatColumnBuilder enterLowerLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "lower_limit", this); } - } - - public static class IhmFeatureListBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_feature_list"; + public FloatColumnBuilder enterUpperLimit() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "upper_limit", this); + } - public IhmFeatureListBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public FloatColumnBuilder enterLowerLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "lower_limit_esd", this); } - public IntColumnBuilder enterFeatureId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + public FloatColumnBuilder enterUpperLimitEsd() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "upper_limit_esd", this); } - public StrColumnBuilder enterFeatureType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "feature_type", this); + public FloatColumnBuilder enterProbability() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); } - public StrColumnBuilder enterEntityType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_type", this); + public StrColumnBuilder enterRestraintType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } } - public static class IhmPseudoSiteFeatureBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_pseudo_site_feature"; + public static class MaRestraintsGroupBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_restraints_group"; - public IhmPseudoSiteFeatureBuilder(MmCifBlockBuilder parent) { + public MaRestraintsGroupBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterFeatureId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterPseudoSiteId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "pseudo_site_id", this); + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + } + + public IntColumnBuilder enterRestraintId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "restraint_id", this); } } - public static class IhmPolyAtomFeatureBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_poly_atom_feature"; + public static class MaProtocolStepBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_protocol_step"; - public IhmPolyAtomFeatureBuilder(MmCifBlockBuilder parent) { + public MaProtocolStepBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterOrdinalId() { + public IntColumnBuilder enterOrdinalId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterFeatureId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + public IntColumnBuilder enterProtocolId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "protocol_id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public IntColumnBuilder enterStepId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "step_id", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public StrColumnBuilder enterMethodType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method_type", this); } - public StrColumnBuilder enterCompId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public IntColumnBuilder enterSeqId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id", this); + public StrColumnBuilder enterStepName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "step_name", this); } - public StrColumnBuilder enterAtomId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id", this); + public IntColumnBuilder enterSoftwareGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_group_id", this); + } + + public IntColumnBuilder enterInputDataGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "input_data_group_id", this); + } + + public IntColumnBuilder enterOutputDataGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "output_data_group_id", this); } } - public static class IhmPolyResidueFeatureBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_poly_residue_feature"; + public static class MaSoftwareGroupBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_software_group"; - public IhmPolyResidueFeatureBuilder(MmCifBlockBuilder parent) { + public MaSoftwareGroupBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterOrdinalId() { + public IntColumnBuilder enterOrdinalId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterFeatureId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public IntColumnBuilder enterSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public IntColumnBuilder enterParameterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "parameter_group_id", this); } - public StrColumnBuilder enterCompIdBegin() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_begin", this); + } + + public static class MaSoftwareParameterBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_software_parameter"; + + public MaSoftwareParameterBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterCompIdEnd() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id_end", this); + public IntColumnBuilder enterParameterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "parameter_id", this); } - public IntColumnBuilder enterSeqIdBegin() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_begin", this); + public IntColumnBuilder enterGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); } - public IntColumnBuilder enterSeqIdEnd() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "seq_id_end", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } - public StrColumnBuilder enterResidueRangeGranularity() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "residue_range_granularity", this); + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); } - public StrColumnBuilder enterRepAtom() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "rep_atom", this); + public StrColumnBuilder enterValue() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "value", this); } - public StrColumnBuilder enterInterfaceResidueFlag() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "interface_residue_flag", this); + public StrColumnBuilder enterDataType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "data_type", this); + } + + public StrColumnBuilder enterDataTypeOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "data_type_other_details", this); } } - public static class IhmNonPolyFeatureBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_non_poly_feature"; + public static class MaPolyTemplateLibraryDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_poly_template_library_details"; - public IhmNonPolyFeatureBuilder(MmCifBlockBuilder parent) { + public MaPolyTemplateLibraryDetailsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterOrdinalId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + public IntColumnBuilder enterLibraryId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "library_id", this); } - public IntColumnBuilder enterFeatureId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + public StrColumnBuilder enterTargetEntityId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "target_entity_id", this); } - public StrColumnBuilder enterEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_id", this); + public StrColumnBuilder enterCustomizedFragmentLibraryFlag() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "customized_fragment_library_flag", this); } - public StrColumnBuilder enterAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } - public StrColumnBuilder enterCompId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "comp_id", this); + public IntColumnBuilder enterSoftwareGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_group_id", this); } - public StrColumnBuilder enterAtomId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id", this); + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); } } - public static class IhmInterfaceResidueFeatureBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_interface_residue_feature"; + public static class MaPolyTemplateLibraryListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_poly_template_library_list"; - public IhmInterfaceResidueFeatureBuilder(MmCifBlockBuilder parent) { + public MaPolyTemplateLibraryListBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterOrdinalId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); } - public IntColumnBuilder enterFeatureId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); + public StrColumnBuilder enterDbName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_name", this); } - public StrColumnBuilder enterBindingPartnerEntityId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "binding_partner_entity_id", this); + public StrColumnBuilder enterDbAccessionCode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "db_accession_code", this); } - public StrColumnBuilder enterBindingPartnerAsymId() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "binding_partner_asym_id", this); + public StrColumnBuilder enterAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "asym_id", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public StrColumnBuilder enterModelNum() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "model_num", this); } - public StrColumnBuilder enterDetails() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + public IntColumnBuilder enterResidueNumberBegin() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "residue_number_begin", this); + } + + public IntColumnBuilder enterResidueNumberEnd() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "residue_number_end", this); + } + + public StrColumnBuilder enterResidueNameBegin() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "residue_name_begin", this); + } + + public StrColumnBuilder enterResidueNameEnd() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "residue_name_end", this); } } - public static class IhmDerivedDistanceRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_derived_distance_restraint"; + public static class MaPolyTemplateLibraryComponentsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_poly_template_library_components"; - public IhmDerivedDistanceRestraintBuilder(MmCifBlockBuilder parent) { + public MaPolyTemplateLibraryComponentsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public IntColumnBuilder enterTemplateId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "template_id", this); } - public IntColumnBuilder enterFeatureId1() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_1", this); + public IntColumnBuilder enterLibraryId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "library_id", this); } - public IntColumnBuilder enterFeatureId2() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_2", this); + } + + public static class MaQaMetricBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_qa_metric"; + + public MaQaMetricBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public StrColumnBuilder enterGroupConditionality() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_conditionality", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public FloatColumnBuilder enterRandomExclusionFraction() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "random_exclusion_fraction", this); + public StrColumnBuilder enterName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "name", this); } - public FloatColumnBuilder enterDistanceLowerLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit", this); + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); } - public FloatColumnBuilder enterDistanceUpperLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public FloatColumnBuilder enterDistanceLowerLimitEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit_esd", this); + public StrColumnBuilder enterTypeOtherDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type_other_details", this); } - public FloatColumnBuilder enterDistanceUpperLimitEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit_esd", this); + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } - public FloatColumnBuilder enterProbability() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + public StrColumnBuilder enterMode() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "mode", this); } - public StrColumnBuilder enterRestraintType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + public IntColumnBuilder enterSoftwareGroupId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_group_id", this); } - public FloatColumnBuilder enterMicValue() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "mic_value", this); + } + + public static class MaQaMetricGlobalBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_qa_metric_global"; + + public MaQaMetricGlobalBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterDistanceThresholdMean() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_threshold_mean", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterDistanceThresholdEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_threshold_esd", this); + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public IntColumnBuilder enterMetricId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "metric_id", this); + } + + public FloatColumnBuilder enterMetricValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "metric_value", this); } } - public static class IhmDerivedAngleRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_derived_angle_restraint"; + public static class MaQaMetricLocalBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_qa_metric_local"; - public IhmDerivedAngleRestraintBuilder(MmCifBlockBuilder parent) { + public MaQaMetricLocalBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); } - public IntColumnBuilder enterFeatureId1() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_1", this); + public StrColumnBuilder enterLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_asym_id", this); } - public IntColumnBuilder enterFeatureId2() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_2", this); + public IntColumnBuilder enterLabelSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "label_seq_id", this); } - public IntColumnBuilder enterFeatureId3() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_3", this); + public StrColumnBuilder enterLabelCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_comp_id", this); } - public StrColumnBuilder enterGroupConditionality() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_conditionality", this); + public IntColumnBuilder enterMetricId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "metric_id", this); } - public FloatColumnBuilder enterAngleLowerLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_lower_limit", this); + public FloatColumnBuilder enterMetricValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "metric_value", this); } - public FloatColumnBuilder enterAngleUpperLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_upper_limit", this); + } + + public static class MaQaMetricLocalPairwiseBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_qa_metric_local_pairwise"; + + public MaQaMetricLocalPairwiseBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterAngleLowerLimitEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_lower_limit_esd", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterAngleUpperLimitEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_upper_limit_esd", this); + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); } - public FloatColumnBuilder enterProbability() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + public StrColumnBuilder enterLabelAsymId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_asym_id_1", this); } - public StrColumnBuilder enterRestraintType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + public IntColumnBuilder enterLabelSeqId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "label_seq_id_1", this); } - public FloatColumnBuilder enterAngleThresholdMean() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_threshold_mean", this); + public StrColumnBuilder enterLabelCompId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_comp_id_1", this); } - public FloatColumnBuilder enterAngleThresholdEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "angle_threshold_esd", this); + public StrColumnBuilder enterLabelAsymId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_asym_id_2", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public IntColumnBuilder enterLabelSeqId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "label_seq_id_2", this); + } + + public StrColumnBuilder enterLabelCompId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_comp_id_2", this); + } + + public IntColumnBuilder enterMetricId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "metric_id", this); + } + + public FloatColumnBuilder enterMetricValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "metric_value", this); } } - public static class IhmDerivedDihedralRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_derived_dihedral_restraint"; + public static class MaFeatureListBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_feature_list"; - public IhmDerivedDihedralRestraintBuilder(MmCifBlockBuilder parent) { + public MaFeatureListBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); } - public IntColumnBuilder enterGroupId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "group_id", this); + public StrColumnBuilder enterFeatureType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "feature_type", this); } - public IntColumnBuilder enterFeatureId1() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_1", this); + public StrColumnBuilder enterEntityType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entity_type", this); } - public IntColumnBuilder enterFeatureId2() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_2", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } - public IntColumnBuilder enterFeatureId3() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_3", this); - } + } - public IntColumnBuilder enterFeatureId4() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_4", this); - } + public static class MaAtomFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_atom_feature"; - public StrColumnBuilder enterGroupConditionality() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_conditionality", this); + public MaAtomFeatureBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterDihedralLowerLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_lower_limit", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterDihedralUpperLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_upper_limit", this); + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); } - public FloatColumnBuilder enterDihedralLowerLimitEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_lower_limit_esd", this); + public StrColumnBuilder enterAtomId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id", this); } - public FloatColumnBuilder enterDihedralUpperLimitEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_upper_limit_esd", this); + } + + public static class MaPolyResidueFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_poly_residue_feature"; + + public MaPolyResidueFeatureBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterProbability() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "probability", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public StrColumnBuilder enterRestraintType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); } - public FloatColumnBuilder enterDihedralThresholdMean() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_threshold_mean", this); + public StrColumnBuilder enterLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_asym_id", this); } - public FloatColumnBuilder enterDihedralThresholdEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "dihedral_threshold_esd", this); + public StrColumnBuilder enterLabelCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_comp_id", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public IntColumnBuilder enterLabelSeqId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "label_seq_id", this); } } - public static class IhmGeometricObjectListBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_list"; + public static class MaEntityInstanceFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_entity_instance_feature"; - public IhmGeometricObjectListBuilder(MmCifBlockBuilder parent) { + public MaEntityInstanceFeatureBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterObjectId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); - } - - public StrColumnBuilder enterObjectType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "object_type", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public StrColumnBuilder enterObjectName() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "object_name", this); + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); } - public StrColumnBuilder enterObjectDescription() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "object_description", this); + public StrColumnBuilder enterLabelAsymId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "label_asym_id", this); } } - public static class IhmGeometricObjectCenterBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_center"; + public static class MaQaMetricFeatureBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_qa_metric_feature"; - public IhmGeometricObjectCenterBuilder(MmCifBlockBuilder parent) { + public MaQaMetricFeatureBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterXcoord() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "xcoord", this); + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); } - public FloatColumnBuilder enterYcoord() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "ycoord", this); + public IntColumnBuilder enterFeatureId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); } - public FloatColumnBuilder enterZcoord() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "zcoord", this); + public IntColumnBuilder enterMetricId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "metric_id", this); + } + + public FloatColumnBuilder enterMetricValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "metric_value", this); } } - public static class IhmGeometricObjectTransformationBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_transformation"; + public static class MaQaMetricFeaturePairwiseBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_qa_metric_feature_pairwise"; - public IhmGeometricObjectTransformationBuilder(MmCifBlockBuilder parent) { + public MaQaMetricFeaturePairwiseBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterRotMatrix11() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][1]", this); + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); } - public FloatColumnBuilder enterRotMatrix21() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][1]", this); + public IntColumnBuilder enterFeatureId1() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_1", this); } - public FloatColumnBuilder enterRotMatrix31() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][1]", this); + public IntColumnBuilder enterFeatureId2() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id_2", this); } - public FloatColumnBuilder enterRotMatrix12() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][2]", this); + public IntColumnBuilder enterMetricId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "metric_id", this); } - public FloatColumnBuilder enterRotMatrix22() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][2]", this); + public FloatColumnBuilder enterMetricValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "metric_value", this); } - public FloatColumnBuilder enterRotMatrix32() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][2]", this); + } + + public static class MaEntryAssociatedFilesBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_entry_associated_files"; + + public MaEntryAssociatedFilesBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterRotMatrix13() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[1][3]", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public FloatColumnBuilder enterRotMatrix23() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[2][3]", this); + public StrColumnBuilder enterEntryId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "entry_id", this); } - public FloatColumnBuilder enterRotMatrix33() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "rot_matrix[3][3]", this); + public StrColumnBuilder enterFileType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_type", this); } - public FloatColumnBuilder enterTrVector1() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[1]", this); + public StrColumnBuilder enterFileUrl() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_url", this); } - public FloatColumnBuilder enterTrVector2() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[2]", this); + public StrColumnBuilder enterFileFormat() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_format", this); } - public FloatColumnBuilder enterTrVector3() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "tr_vector[3]", this); + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public StrColumnBuilder enterFileContent() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_content", this); + } + + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } } - public static class IhmGeometricObjectSphereBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_sphere"; + public static class MaAssociatedArchiveFileDetailsBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_associated_archive_file_details"; - public IhmGeometricObjectSphereBuilder(MmCifBlockBuilder parent) { + public MaAssociatedArchiveFileDetailsBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterObjectId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + public IntColumnBuilder enterId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); } - public IntColumnBuilder enterCenterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "center_id", this); + public IntColumnBuilder enterArchiveFileId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "archive_file_id", this); } - public IntColumnBuilder enterTransformationId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + public StrColumnBuilder enterFilePath() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_path", this); } - public FloatColumnBuilder enterRadiusR() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "radius_r", this); + public StrColumnBuilder enterFileFormat() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_format", this); + } + + public StrColumnBuilder enterFileContent() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "file_content", this); + } + + public StrColumnBuilder enterDescription() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "description", this); + } + + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } } - public static class IhmGeometricObjectTorusBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_torus"; + public static class MaChemCompDescriptorBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_chem_comp_descriptor"; - public IhmGeometricObjectTorusBuilder(MmCifBlockBuilder parent) { + public MaChemCompDescriptorBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterObjectId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterCenterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "center_id", this); + public StrColumnBuilder enterChemCompId() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "chem_comp_id", this); } - public IntColumnBuilder enterTransformationId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + public StrColumnBuilder enterChemCompName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "chem_comp_name", this); } - public FloatColumnBuilder enterMajorRadiusR() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "major_radius_R", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public FloatColumnBuilder enterMinorRadiusR() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "minor_radius_r", this); + public StrColumnBuilder enterValue() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "value", this); + } + + public IntColumnBuilder enterSoftwareId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "software_id", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } } - public static class IhmGeometricObjectHalfTorusBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_half_torus"; + public static class MaQaMetricDihedralBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_qa_metric_dihedral"; - public IhmGeometricObjectHalfTorusBuilder(MmCifBlockBuilder parent) { + public MaQaMetricDihedralBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterObjectId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public FloatColumnBuilder enterThicknessTh() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "thickness_th", this); + public StrColumnBuilder enterAtomId1() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_1", this); } - public StrColumnBuilder enterSection() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "section", this); + public StrColumnBuilder enterAtomId2() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_2", this); } - } + public StrColumnBuilder enterAtomId3() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_3", this); + } - public static class IhmGeometricObjectAxisBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_axis"; + public StrColumnBuilder enterAtomId4() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "atom_id_4", this); + } - public IhmGeometricObjectAxisBuilder(MmCifBlockBuilder parent) { - super(CATEGORY_NAME, parent); + public IntColumnBuilder enterMetricId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "metric_id", this); } - public IntColumnBuilder enterObjectId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + public FloatColumnBuilder enterMetricValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "metric_value", this); } - public StrColumnBuilder enterAxisType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "axis_type", this); + public StrColumnBuilder enterQuality() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "quality", this); } - public IntColumnBuilder enterTransformationId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + public StrColumnBuilder enterSmartsPattern() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "smarts_pattern", this); } } - public static class IhmGeometricObjectPlaneBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_plane"; + public static class MaEnergyEstimatesBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_energy_estimates"; - public IhmGeometricObjectPlaneBuilder(MmCifBlockBuilder parent) { + public MaEnergyEstimatesBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterObjectId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public StrColumnBuilder enterPlaneType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "plane_type", this); + public StrColumnBuilder enterEnergyType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "energy_type", this); } - public IntColumnBuilder enterTransformationId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "transformation_id", this); + public StrColumnBuilder enterUnit() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "unit", this); + } + + public StrColumnBuilder enterDetails() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); + } + + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); } } - public static class IhmGeometricObjectDistanceRestraintBuilder extends MmCifCategoryBuilder { - private static final String CATEGORY_NAME = "ihm_geometric_object_distance_restraint"; + public static class MaEnergyEstimatesValueBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_energy_estimates_value"; - public IhmGeometricObjectDistanceRestraintBuilder(MmCifBlockBuilder parent) { + public MaEnergyEstimatesValueBuilder(MmCifBlockBuilder parent) { super(CATEGORY_NAME, parent); } - public IntColumnBuilder enterId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "id", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public IntColumnBuilder enterObjectId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "object_id", this); + public IntColumnBuilder enterEnergyEstimatesId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "energy_estimates_id", this); } - public IntColumnBuilder enterFeatureId() { + public IntColumnBuilder enterModelId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "model_id", this); + } + + public IntColumnBuilder enterFeatureId() { return new IntColumnBuilderImpl<>(CATEGORY_NAME, "feature_id", this); } - public StrColumnBuilder enterObjectCharacteristic() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "object_characteristic", this); + public FloatColumnBuilder enterNumericalValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "numerical_value", this); } - public StrColumnBuilder enterRestraintType() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "restraint_type", this); + } + + public static class MaExperimentalValidationBuilder extends MmCifCategoryBuilder { + private static final String CATEGORY_NAME = "ma_experimental_validation"; + + public MaExperimentalValidationBuilder(MmCifBlockBuilder parent) { + super(CATEGORY_NAME, parent); } - public FloatColumnBuilder enterHarmonicForceConstant() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "harmonic_force_constant", this); + public IntColumnBuilder enterOrdinalId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "ordinal_id", this); } - public StrColumnBuilder enterGroupConditionality() { - return new StrColumnBuilderImpl<>(CATEGORY_NAME, "group_conditionality", this); + public StrColumnBuilder enterMethod() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "method", this); } - public FloatColumnBuilder enterDistanceLowerLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit", this); + public StrColumnBuilder enterType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "type", this); } - public FloatColumnBuilder enterDistanceUpperLimit() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit", this); + public StrColumnBuilder enterValueName() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "value_name", this); } - public FloatColumnBuilder enterDistanceLowerLimitEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_lower_limit_esd", this); + public FloatColumnBuilder enterValue() { + return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "value", this); } - public FloatColumnBuilder enterDistanceUpperLimitEsd() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_upper_limit_esd", this); + public StrColumnBuilder enterValueUnit() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "value_unit", this); } - public FloatColumnBuilder enterDistanceProbability() { - return new FloatColumnBuilderImpl<>(CATEGORY_NAME, "distance_probability", this); + public StrColumnBuilder enterPositiveOutcome() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "positive_outcome", this); } - public IntColumnBuilder enterDatasetListId() { - return new IntColumnBuilderImpl<>(CATEGORY_NAME, "dataset_list_id", this); + public StrColumnBuilder enterReferenceType() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_type", this); } - public StrColumnBuilder enterDetails() { + public StrColumnBuilder enterReferenceDoi() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_doi", this); + } + + public StrColumnBuilder enterReferenceUrl() { + return new StrColumnBuilderImpl<>(CATEGORY_NAME, "reference_url", this); + } + + public StrColumnBuilder enterDetails() { return new StrColumnBuilderImpl<>(CATEGORY_NAME, "details", this); } + public IntColumnBuilder enterDataId() { + return new IntColumnBuilderImpl<>(CATEGORY_NAME, "data_id", this); + } + } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MmCifFile.java b/src/main/java/org/rcsb/cif/schema/mm/MmCifFile.java index b97ede128..6f940f347 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/MmCifFile.java +++ b/src/main/java/org/rcsb/cif/schema/mm/MmCifFile.java @@ -4,6 +4,9 @@ import org.rcsb.cif.model.CifFile; import org.rcsb.cif.schema.DelegatingCifFile; +import javax.annotation.Generated; + +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class MmCifFile extends DelegatingCifFile { public MmCifFile(CifFile delegate) { super(delegate); @@ -13,4 +16,4 @@ public MmCifFile(CifFile delegate) { protected MmCifBlock getTypedBlock(Block block) { return new MmCifBlock(block); } -} +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/MmCifFileBuilder.java b/src/main/java/org/rcsb/cif/schema/mm/MmCifFileBuilder.java index 19707c601..80882d45e 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/MmCifFileBuilder.java +++ b/src/main/java/org/rcsb/cif/schema/mm/MmCifFileBuilder.java @@ -3,6 +3,9 @@ import org.rcsb.cif.model.builder.CifFileBuilderImpl; import org.rcsb.cif.schema.StandardSchemata; +import javax.annotation.Generated; + +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class MmCifFileBuilder extends CifFileBuilderImpl { @Override public MmCifBlockBuilder enterBlock(String blockHeader) { @@ -18,4 +21,4 @@ public MmCifFile leaveFile() { public MmCifFile build() { return super.build().as(StandardSchemata.MMCIF); } -} +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/NdbStructNaBasePair.java b/src/main/java/org/rcsb/cif/schema/mm/NdbStructNaBasePair.java index 657c0fc32..25d0ae8f4 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/NdbStructNaBasePair.java +++ b/src/main/java/org/rcsb/cif/schema/mm/NdbStructNaBasePair.java @@ -68,13 +68,15 @@ protected Column createDelegate(String columnName, Column column) { return getHbondType12(); case "hbond_type_28": return getHbondType28(); + case "hbond_type_leontis_westhof": + return getHbondTypeLeontisWesthof(); default: return new DelegatingColumn(column); } } /** - * Describes the model number of the the base pair. + * Describes the model number of the base pair. * * This data item is a pointer to _atom_site.pdbx_PDB_model_num in the * ATOM_SITE category. @@ -316,4 +318,30 @@ public IntColumn getHbondType28() { return delegate.getColumn("hbond_type_28", DelegatingIntColumn::new); } + /** + * Base pair classification of Leontis and Westhof. + * + * The Leontis-Westhof classification system annotates + * basepairs according to the interacting edge used by + * each base (Watson-Crick, Hoogsteen, or Sugar), and + * glycosidic bond orientation (cis, trans). For six of + * twelve classes, the correct Leontis-Westhof notation + * depends upon the order (i,j) of the identified + * nucleotides. + * + * Leontis NB and Westhof E (2001) Geometric nomenclature + * and classification of RNA base pairs. RNA 7:499-512. + * https://doi.org/10.1017/s1355838201002515 + * + * Replacement for category item + * _ndb_struct_na_base_pair.hbond_type_12. The older item + * encodes the 12 classes by a numerical index, without + * identifying the interacting edges used by each base in + * nucleotides i,j. + * @return StrColumn + */ + public StrColumn getHbondTypeLeontisWesthof() { + return delegate.getColumn("hbond_type_leontis_westhof", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/NdbStructNaBasePairStep.java b/src/main/java/org/rcsb/cif/schema/mm/NdbStructNaBasePairStep.java index acbdb3762..1a86510e9 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/NdbStructNaBasePairStep.java +++ b/src/main/java/org/rcsb/cif/schema/mm/NdbStructNaBasePairStep.java @@ -110,7 +110,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * Describes the model number of the the base pair step. + * Describes the model number of the base pair step. * * This data item is a pointer to _atom_site.pdbx_PDB_model_num in the * ATOM_SITE category. diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxAuditConform.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxAuditConform.java new file mode 100644 index 000000000..bfe025b87 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxAuditConform.java @@ -0,0 +1,59 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_AUDIT_CONFORM category describe the + * dictionary versions against which the data names appearing in + * the current data block are conformant. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxAuditConform extends DelegatingCategory { + public PdbxAuditConform(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "dict_location": + return getDictLocation(); + case "dict_name": + return getDictName(); + case "dict_version": + return getDictVersion(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A file name or uniform resource locator (URL) for the + * dictionary to which the current data block conforms. + * @return StrColumn + */ + public StrColumn getDictLocation() { + return delegate.getColumn("dict_location", DelegatingStrColumn::new); + } + + /** + * The dictionary name defining data names used in this file. + * @return StrColumn + */ + public StrColumn getDictName() { + return delegate.getColumn("dict_name", DelegatingStrColumn::new); + } + + /** + * The version number of the dictionary to which the current + * data block conforms. + * @return StrColumn + */ + public StrColumn getDictVersion() { + return delegate.getColumn("dict_version", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxAuditRevisionHistory.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxAuditRevisionHistory.java index f0d1fc551..5bf3bf38c 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxAuditRevisionHistory.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxAuditRevisionHistory.java @@ -32,6 +32,10 @@ protected Column createDelegate(String columnName, Column column) { return getInternalVersion(); case "internal_deposition_id": return getInternalDepositionId(); + case "internal_part_number": + return getInternalPartNumber(); + case "part_number": + return getPartNumber(); default: return new DelegatingColumn(column); } @@ -93,4 +97,20 @@ public StrColumn getInternalDepositionId() { return delegate.getColumn("internal_deposition_id", DelegatingStrColumn::new); } + /** + * The internal part number of the content_type file correspondng to this milestone file + * @return IntColumn + */ + public IntColumn getInternalPartNumber() { + return delegate.getColumn("internal_part_number", DelegatingIntColumn::new); + } + + /** + * The part number of the content_type file correspondng to this milestone file + * @return IntColumn + */ + public IntColumn getPartNumber() { + return delegate.getColumn("part_number", DelegatingIntColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxChainRemapping.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxChainRemapping.java new file mode 100644 index 000000000..490ec355d --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxChainRemapping.java @@ -0,0 +1,92 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * When producing a biological assembly model file, data items in the pdbx_chain_remapping provide a mapping + * from the entity in original model file to this data file. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxChainRemapping extends DelegatingCategory { + public PdbxChainRemapping(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "entity_id": + return getEntityId(); + case "label_asym_id": + return getLabelAsymId(); + case "auth_asym_id": + return getAuthAsymId(); + case "orig_label_asym_id": + return getOrigLabelAsymId(); + case "orig_auth_asym_id": + return getOrigAuthAsymId(); + case "applied_operations": + return getAppliedOperations(); + default: + return new DelegatingColumn(column); + } + } + + /** + * Identifies an _entity.id in this data block. + * @return StrColumn + */ + public StrColumn getEntityId() { + return delegate.getColumn("entity_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _atom_site.label_asym_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelAsymId() { + return delegate.getColumn("label_asym_id", DelegatingStrColumn::new); + } + + /** + * An alternative identifier for _atom_site.label_asym_id. Frequently the + * chain id. + * @return StrColumn + */ + public StrColumn getAuthAsymId() { + return delegate.getColumn("auth_asym_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASYM category in the original model file. + * @return StrColumn + */ + public StrColumn getOrigLabelAsymId() { + return delegate.getColumn("orig_label_asym_id", DelegatingStrColumn::new); + } + + /** + * An alternative identifier for _atom_site.label_asym_id in the original + * model file. Frequently the author's chain id. + * @return StrColumn + */ + public StrColumn getOrigAuthAsymId() { + return delegate.getColumn("orig_auth_asym_id", DelegatingStrColumn::new); + } + + /** + * The set of operations identified pdbx_struct_oper_list.id + * that were applied to original atom_site coordinates to produce + * the coordinates in atom_site in this data block. + * @return StrColumn + */ + public StrColumn getAppliedOperations() { + return delegate.getColumn("applied_operations", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxChemCompDepositorInfo.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxChemCompDepositorInfo.java index 84afac024..8e5baa4d8 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxChemCompDepositorInfo.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxChemCompDepositorInfo.java @@ -38,6 +38,10 @@ protected Column createDelegate(String columnName, Column column) { return getInDictionaryFlag(); case "details": return getDetails(); + case "upload_file_name": + return getUploadFileName(); + case "upload_file_type": + return getUploadFileType(); default: return new DelegatingColumn(column); } @@ -142,4 +146,22 @@ public StrColumn getDetails() { return delegate.getColumn("details", DelegatingStrColumn::new); } + /** + * The filename of an uploaded description of a component + * component. + * @return StrColumn + */ + public StrColumn getUploadFileName() { + return delegate.getColumn("upload_file_name", DelegatingStrColumn::new); + } + + /** + * The type of an uploaded description of a component + * component. + * @return StrColumn + */ + public StrColumn getUploadFileType() { + return delegate.getColumn("upload_file_type", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxChemCompPcm.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxChemCompPcm.java new file mode 100644 index 000000000..f050b7332 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxChemCompPcm.java @@ -0,0 +1,155 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_CHEM_COMP_PCM category provide + * information about the protein modifications that are described + * by the chemical component. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxChemCompPcm extends DelegatingCategory { + public PdbxChemCompPcm(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "pcm_id": + return getPcmId(); + case "comp_id": + return getCompId(); + case "modified_residue_id": + return getModifiedResidueId(); + case "type": + return getType(); + case "category": + return getCategory(); + case "position": + return getPosition(); + case "polypeptide_position": + return getPolypeptidePosition(); + case "comp_id_linking_atom": + return getCompIdLinkingAtom(); + case "modified_residue_id_linking_atom": + return getModifiedResidueIdLinkingAtom(); + case "uniprot_specific_ptm_accession": + return getUniprotSpecificPtmAccession(); + case "uniprot_generic_ptm_accession": + return getUniprotGenericPtmAccession(); + case "first_instance_model_db_code": + return getFirstInstanceModelDbCode(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An ordinal index for this category. + * @return IntColumn + */ + public IntColumn getPcmId() { + return delegate.getColumn("pcm_id", DelegatingIntColumn::new); + } + + /** + * Chemical component identifier for the CCD that contains the modification group. + * @return StrColumn + */ + public StrColumn getCompId() { + return delegate.getColumn("comp_id", DelegatingStrColumn::new); + } + + /** + * Chemical component identifier for the amino acid residue that is being modified. + * @return StrColumn + */ + public StrColumn getModifiedResidueId() { + return delegate.getColumn("modified_residue_id", DelegatingStrColumn::new); + } + + /** + * The type of protein modification. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * The category of protein modification. + * @return StrColumn + */ + public StrColumn getCategory() { + return delegate.getColumn("category", DelegatingStrColumn::new); + } + + /** + * The position of the modification on the amino acid. + * @return StrColumn + */ + public StrColumn getPosition() { + return delegate.getColumn("position", DelegatingStrColumn::new); + } + + /** + * The position of the modification on the polypeptide. + * @return StrColumn + */ + public StrColumn getPolypeptidePosition() { + return delegate.getColumn("polypeptide_position", DelegatingStrColumn::new); + } + + /** + * The atom on the modification group that covalently links the + * modification to the residue that is being modified. This is + * only added when the protein modification is linked and so the + * amino acid group and the modification group are described by + * separate CCDs. + * @return StrColumn + */ + public StrColumn getCompIdLinkingAtom() { + return delegate.getColumn("comp_id_linking_atom", DelegatingStrColumn::new); + } + + /** + * The atom on the polypeptide residue group that covalently links + * the modification to the residue that is being modified. This is + * only added when the protein modification is linked and so the + * amino acid group and the modification group are described by + * separate CCDs. + * @return StrColumn + */ + public StrColumn getModifiedResidueIdLinkingAtom() { + return delegate.getColumn("modified_residue_id_linking_atom", DelegatingStrColumn::new); + } + + /** + * The UniProt PTM accession code that is an exact match for the protein modification. + * @return StrColumn + */ + public StrColumn getUniprotSpecificPtmAccession() { + return delegate.getColumn("uniprot_specific_ptm_accession", DelegatingStrColumn::new); + } + + /** + * The UniProt PTM accession code that describes the group of PTMs of which this protein modification is a member. + * @return StrColumn + */ + public StrColumn getUniprotGenericPtmAccession() { + return delegate.getColumn("uniprot_generic_ptm_accession", DelegatingStrColumn::new); + } + + /** + * The PDB Entry ID for the first model that contains the protein modification. + * @return StrColumn + */ + public StrColumn getFirstInstanceModelDbCode() { + return delegate.getColumn("first_instance_model_db_code", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxCrystalAlignment.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxCrystalAlignment.java index 120aa71eb..a87e0458e 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxCrystalAlignment.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxCrystalAlignment.java @@ -62,6 +62,10 @@ protected Column createDelegate(String columnName, Column column) { return getCrossfireXy(); case "crossfire_xy_esd": return getCrossfireXyEsd(); + case "overall_beam_divergence": + return getOverallBeamDivergence(); + case "overall_beam_divergence_esd": + return getOverallBeamDivergenceEsd(); default: return new DelegatingColumn(column); } @@ -249,4 +253,23 @@ public FloatColumn getCrossfireXyEsd() { return delegate.getColumn("crossfire_xy_esd", DelegatingFloatColumn::new); } + /** + * Isotropic distribution of photon angles from the source impacting on the + * crystal in degrees. Note this is typically a derived quantity, inferred + * from measuring the radial profile of the measured reflections, and it may + * be convolved with effects from the bandpass. + * @return FloatColumn + */ + public FloatColumn getOverallBeamDivergence() { + return delegate.getColumn("overall_beam_divergence", DelegatingFloatColumn::new); + } + + /** + * The uncertainty in the beam divergence estimate. + * @return FloatColumn + */ + public FloatColumn getOverallBeamDivergenceEsd() { + return delegate.getColumn("overall_beam_divergence_esd", DelegatingFloatColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDataUsage.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDataUsage.java new file mode 100644 index 000000000..815850749 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDataUsage.java @@ -0,0 +1,77 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * The PDBX_DATA_USAGE category provides information on licensing + * an disclaimers of the file it is in + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxDataUsage extends DelegatingCategory { + public PdbxDataUsage(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "type": + return getType(); + case "details": + return getDetails(); + case "url": + return getUrl(); + case "name": + return getName(); + default: + return new DelegatingColumn(column); + } + } + + /** + * Uniquely identifies an data_usage + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * Describes the type of data_usage. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * Provides the details of usage for a particular type. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + + /** + * Provides the an optional url for more details of the + * particular type. + * @return StrColumn + */ + public StrColumn getUrl() { + return delegate.getColumn("url", DelegatingStrColumn::new); + } + + /** + * An optional well known name for the _pdbx_usage_data. + * @return StrColumn + */ + public StrColumn getName() { + return delegate.getColumn("name", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDatabaseDoi.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDatabaseDoi.java new file mode 100644 index 000000000..7819e4bbe --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDatabaseDoi.java @@ -0,0 +1,46 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_DATABASE_DOI category record the + * DOI of this entry. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxDatabaseDoi extends DelegatingCategory { + public PdbxDatabaseDoi(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "db_name": + return getDbName(); + case "db_DOI": + return getDbDOI(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An abbreviation that identifies the database. + * @return StrColumn + */ + public StrColumn getDbName() { + return delegate.getColumn("db_name", DelegatingStrColumn::new); + } + + /** + * The DOI for the entry in the associated database. + * @return StrColumn + */ + public StrColumn getDbDOI() { + return delegate.getColumn("db_DOI", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDatabaseStatus.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDatabaseStatus.java index 4aba3d8d5..a8178b78c 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxDatabaseStatus.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDatabaseStatus.java @@ -164,6 +164,8 @@ protected Column createDelegate(String columnName, Column column) { return getSkipPDBREMARK(); case "title_suppression": return getTitleSuppression(); + case "date_accepted_terms_and_conditions": + return getDateAcceptedTermsAndConditions(); default: return new DelegatingColumn(column); } @@ -803,4 +805,12 @@ public StrColumn getTitleSuppression() { return delegate.getColumn("title_suppression", DelegatingStrColumn::new); } + /** + * The date on which the depositor accepted the PDB terms and conditions. + * @return StrColumn + */ + public StrColumn getDateAcceptedTermsAndConditions() { + return delegate.getColumn("date_accepted_terms_and_conditions", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDccDensity.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDccDensity.java index a48b8eb9c..437312511 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxDccDensity.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDccDensity.java @@ -557,7 +557,7 @@ public StrColumn getPartialBValueCorrectionAttempted() { } /** - * Whether the the conversion of partial B to full B factor is + * Whether the conversion of partial B to full B factor is * successful (Y) or not (N). * @return StrColumn */ diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDccMap.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDccMap.java index 3a6b1705d..3eb538932 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxDccMap.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDccMap.java @@ -522,7 +522,7 @@ public FloatColumn getRSZOZscore() { /** * It is the Ligand Local Density Function defined as the * (<RsR>_local - RsR_Ligand)/sigma_RsR, where <RsR>_local is the - * mean RSR of polymer residues in 5 Angstrom (including the + * mean RSR of polymer residues in 5 angstroms (including the * crystallographic symmetry) surrounding the ligand, and sigma_RsR * is sigma value calculated from the surrounding residues. * @return FloatColumn diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDepuiEntryDetails.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDepuiEntryDetails.java index f1740da85..8dc513a63 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxDepuiEntryDetails.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDepuiEntryDetails.java @@ -29,6 +29,8 @@ protected Column createDelegate(String columnName, Column column) { return getRequestedAccessionTypes(); case "validated_contact_email": return getValidatedContactEmail(); + case "validated_identifier_ORCID": + return getValidatedIdentifierORCID(); case "country": return getCountry(); case "structural_genomics_flag": @@ -84,6 +86,14 @@ public StrColumn getValidatedContactEmail() { return delegate.getColumn("validated_contact_email", DelegatingStrColumn::new); } + /** + * The validated contact Open Researcher and Contributor ID (ORCID). + * @return StrColumn + */ + public StrColumn getValidatedIdentifierORCID() { + return delegate.getColumn("validated_identifier_ORCID", DelegatingStrColumn::new); + } + /** * The country/region location of the institution submitting the deposition. * @return StrColumn diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDepuiStatusFlags.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDepuiStatusFlags.java index b0a38179c..c705b4e1d 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxDepuiStatusFlags.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDepuiStatusFlags.java @@ -66,6 +66,10 @@ protected Column createDelegate(String columnName, Column column) { return getPostRelReplacementReason(); case "post_rel_replacement_reason_details": return getPostRelReplacementReasonDetails(); + case "has_accepted_assemblies": + return getHasAcceptedAssemblies(); + case "assembly_inferred": + return getAssemblyInferred(); default: return new DelegatingColumn(column); } @@ -168,7 +172,7 @@ public StrColumn getHasViewedValidationReport() { } /** - * The the last validation report operation, the name of the model file last validated. + * The last validation report operation, the name of the model file last validated. * @return StrColumn */ public StrColumn getValidatedModelFileName() { @@ -263,4 +267,20 @@ public StrColumn getPostRelReplacementReasonDetails() { return delegate.getColumn("post_rel_replacement_reason_details", DelegatingStrColumn::new); } + /** + * A flag to indicate that depositor has accepted the presented assemblies. + * @return StrColumn + */ + public StrColumn getHasAcceptedAssemblies() { + return delegate.getColumn("has_accepted_assemblies", DelegatingStrColumn::new); + } + + /** + * A flag to indicate whether the assembly annotation has been inferred from a previously annotated entry. + * @return StrColumn + */ + public StrColumn getAssemblyInferred() { + return delegate.getColumn("assembly_inferred", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnBatch.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnBatch.java new file mode 100644 index 000000000..58adfbf42 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnBatch.java @@ -0,0 +1,109 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_DIFFRN_BATCH category provide a + * mechanism to describe common characteristics of a group of + * reflections within the DIFFRN_REFLN category. + * + * This grouping can be due to reflections occuring on the + * same image, within the same lattice, on the same + * detector panel or a combination of these. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxDiffrnBatch extends DelegatingCategory { + public PdbxDiffrnBatch(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "diffrn_id": + return getDiffrnId(); + case "cell_id": + return getCellId(); + case "wavelength_id": + return getWavelengthId(); + case "space_group_id": + return getSpaceGroupId(); + case "detector_id": + return getDetectorId(); + case "orientation_id": + return getOrientationId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of _pdbx_diffrn_batch.id must uniquely identify the + * information associated with reflections in the DIFFRN_REFLN + * category. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _diffrn.id in the DIFFRN + * category. + * @return StrColumn + */ + public StrColumn getDiffrnId() { + return delegate.getColumn("diffrn_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _diffrn_cell.id in + * the PDBX_DIFFRN_CELL category. + * @return StrColumn + */ + public StrColumn getCellId() { + return delegate.getColumn("cell_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _diffrn_radiation_wavelength.id in + * the DIFFRN_RADIATION_WAVELENGTH category. + * @return StrColumn + */ + public StrColumn getWavelengthId() { + return delegate.getColumn("wavelength_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _space_group.id in + * the SPACE_GROUP category. + * @return StrColumn + */ + public StrColumn getSpaceGroupId() { + return delegate.getColumn("space_group_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _diffrn_detector.id in the + * DIFFRN_DETECTOR category. + * @return StrColumn + */ + public StrColumn getDetectorId() { + return delegate.getColumn("detector_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _pdbx_diffrn_orientation.id in the + * PDBX_DIFFRN_ORIENTATION category. + * @return StrColumn + */ + public StrColumn getOrientationId() { + return delegate.getColumn("orientation_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnBatchScan.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnBatchScan.java new file mode 100644 index 000000000..b447049e5 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnBatchScan.java @@ -0,0 +1,57 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_DIFFRN_BATCH_SCAN category provide a + * mechanism to associate derived quantities + * (PDBX_DIFFRACTION_BATCH category) with experimental + * information about scans within the DIFFRN_SCAN + * category. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxDiffrnBatchScan extends DelegatingCategory { + public PdbxDiffrnBatchScan(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "batch_id": + return getBatchId(); + case "scan_id": + return getScanId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of _pdbx_diffrn_batch_scan.batch_id must + * uniquely identify the association between the derived + * quantities (PDBX_DIFFRN_BATCH category) and + * experimental scan information (DIFFRN_SCAN category). + * + * This is a pointer into the PDBX_DIFFRN_BATCH category + * (pdbx_diffrn_batch.id item). + * @return StrColumn + */ + public StrColumn getBatchId() { + return delegate.getColumn("batch_id", DelegatingStrColumn::new); + } + + /** + * The value of _pdbx_diffrn_batch_scan.scan_id is a + * pointer to diffrn_scan.id in the experimental scan + * information (DIFFRN_SCAN category). + * @return StrColumn + */ + public StrColumn getScanId() { + return delegate.getColumn("scan_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnCell.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnCell.java new file mode 100644 index 000000000..d2fc96bfb --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnCell.java @@ -0,0 +1,164 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_DIFFRN_CELL category record details about + * a particular set of unit cell parameters. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxDiffrnCell extends DelegatingCategory { + public PdbxDiffrnCell(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "angle_alpha": + return getAngleAlpha(); + case "angle_alpha_esd": + return getAngleAlphaEsd(); + case "angle_beta": + return getAngleBeta(); + case "angle_beta_esd": + return getAngleBetaEsd(); + case "angle_gamma": + return getAngleGamma(); + case "angle_gamma_esd": + return getAngleGammaEsd(); + case "length_a": + return getLengthA(); + case "length_a_esd": + return getLengthAEsd(); + case "length_b": + return getLengthB(); + case "length_b_esd": + return getLengthBEsd(); + case "length_c": + return getLengthC(); + case "length_c_esd": + return getLengthCEsd(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of _pdbx_diffrn_cell.id must uniquely identify the + * information associated with cell in the PDBX_DIFFRN_CELL + * category. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * Unit-cell angle alpha in degrees. + * @return FloatColumn + */ + public FloatColumn getAngleAlpha() { + return delegate.getColumn("angle_alpha", DelegatingFloatColumn::new); + } + + /** + * The standard uncertainty (estimated standard deviation) + * of _pdbx_diffrn_cell.angle_alpha. + * @return FloatColumn + */ + public FloatColumn getAngleAlphaEsd() { + return delegate.getColumn("angle_alpha_esd", DelegatingFloatColumn::new); + } + + /** + * Unit-cell angle beta in degrees. + * @return FloatColumn + */ + public FloatColumn getAngleBeta() { + return delegate.getColumn("angle_beta", DelegatingFloatColumn::new); + } + + /** + * The standard uncertainty (estimated standard deviation) + * of _pdbx_diffrn_cell.angle_beta. + * @return FloatColumn + */ + public FloatColumn getAngleBetaEsd() { + return delegate.getColumn("angle_beta_esd", DelegatingFloatColumn::new); + } + + /** + * Unit-cell angle gamma in degrees. + * @return FloatColumn + */ + public FloatColumn getAngleGamma() { + return delegate.getColumn("angle_gamma", DelegatingFloatColumn::new); + } + + /** + * The standard uncertainty (estimated standard deviation) + * of _pdbx_diffrn_cell.angle_gamma. + * @return FloatColumn + */ + public FloatColumn getAngleGammaEsd() { + return delegate.getColumn("angle_gamma_esd", DelegatingFloatColumn::new); + } + + /** + * Unit-cell length a in angstroms. + * @return FloatColumn + */ + public FloatColumn getLengthA() { + return delegate.getColumn("length_a", DelegatingFloatColumn::new); + } + + /** + * The standard uncertainty (estimated standard deviation) + * of _pdbx_diffrn_cell.length_a. + * @return FloatColumn + */ + public FloatColumn getLengthAEsd() { + return delegate.getColumn("length_a_esd", DelegatingFloatColumn::new); + } + + /** + * Unit-cell length b in angstroms. + * @return FloatColumn + */ + public FloatColumn getLengthB() { + return delegate.getColumn("length_b", DelegatingFloatColumn::new); + } + + /** + * The standard uncertainty (estimated standard deviation) + * of _pdbx_diffrn_cell.length_b. + * @return FloatColumn + */ + public FloatColumn getLengthBEsd() { + return delegate.getColumn("length_b_esd", DelegatingFloatColumn::new); + } + + /** + * Unit-cell length c in angstroms. + * @return FloatColumn + */ + public FloatColumn getLengthC() { + return delegate.getColumn("length_c", DelegatingFloatColumn::new); + } + + /** + * The standard uncertainty (estimated standard deviation) + * of _pdbx_diffrn_cell.length_c. + * @return FloatColumn + */ + public FloatColumn getLengthCEsd() { + return delegate.getColumn("length_c_esd", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnDetectorPanelMapping.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnDetectorPanelMapping.java new file mode 100644 index 000000000..4ca42a577 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnDetectorPanelMapping.java @@ -0,0 +1,72 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_DIFFRN_DETECTOR_PANEL_MAPPING category provide + * a mechanism to associate detector panel information with an actual + * detector. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxDiffrnDetectorPanelMapping extends DelegatingCategory { + public PdbxDiffrnDetectorPanelMapping(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "detector_id": + return getDetectorId(); + case "array_id": + return getArrayId(); + case "array_section_id": + return getArraySectionId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of _pdbx_diffrn_detector_panel_mapping.id must uniquely identify the + * information associated with panels and detectors in the X, Y and Z + * categories. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _diffrn_detector.id in + * the DIFFRN_DETECTOR category. + * @return StrColumn + */ + public StrColumn getDetectorId() { + return delegate.getColumn("detector_id", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _array_structure.id in the + * ARRAY_STRUCTURE category. + * @return StrColumn + */ + public StrColumn getArrayId() { + return delegate.getColumn("array_id", DelegatingStrColumn::new); + } + + /** + * This item is a pointer to _array_structure_list_section.id in the + * ARRAY_STRUCTURE_LIST_SECTION category. + * @return StrColumn + */ + public StrColumn getArraySectionId() { + return delegate.getColumn("array_section_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnOrientation.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnOrientation.java new file mode 100644 index 000000000..f18fd70d7 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDiffrnOrientation.java @@ -0,0 +1,167 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_DIFFRN_ORIENTATION category record details about + * a particular crystal orientation. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxDiffrnOrientation extends DelegatingCategory { + public PdbxDiffrnOrientation(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "matrix[1][1]": + return getMatrix11(); + case "matrix[1][2]": + return getMatrix12(); + case "matrix[1][3]": + return getMatrix13(); + case "matrix[2][1]": + return getMatrix21(); + case "matrix[2][2]": + return getMatrix22(); + case "matrix[2][3]": + return getMatrix23(); + case "matrix[3][1]": + return getMatrix31(); + case "matrix[3][2]": + return getMatrix32(); + case "matrix[3][3]": + return getMatrix33(); + case "type": + return getType(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The value of _pdbx_diffrn_orientation.id must uniquely identify the + * orientation information associated with reflections in the DIFFRN_REFLN + * category. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix11() { + return delegate.getColumn("matrix[1][1]", DelegatingFloatColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix12() { + return delegate.getColumn("matrix[1][2]", DelegatingFloatColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix13() { + return delegate.getColumn("matrix[1][3]", DelegatingFloatColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix21() { + return delegate.getColumn("matrix[2][1]", DelegatingFloatColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix22() { + return delegate.getColumn("matrix[2][2]", DelegatingFloatColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix23() { + return delegate.getColumn("matrix[2][3]", DelegatingFloatColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix31() { + return delegate.getColumn("matrix[3][1]", DelegatingFloatColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix32() { + return delegate.getColumn("matrix[3][2]", DelegatingFloatColumn::new); + } + + /** + * The elements of the 3x3 matrix that defines the + * orientation of the reciprocal cell with respect to the + * local right-handed coordinate system. See also + * _pdbx_diffrn_orientation.type. + * @return FloatColumn + */ + public FloatColumn getMatrix33() { + return delegate.getColumn("matrix[3][3]", DelegatingFloatColumn::new); + } + + /** + * A description of the orientation matrix type and how it should + * be applied to define the orientation of the crystal with respect + * to the local right-handed coordinate system. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxDomainRange.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxDomainRange.java index d6eeec590..36b6ddbeb 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxDomainRange.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxDomainRange.java @@ -19,6 +19,8 @@ public PdbxDomainRange(Category delegate) { @Override protected Column createDelegate(String columnName, Column column) { switch (columnName) { + case "id": + return getId(); case "beg_label_alt_id": return getBegLabelAltId(); case "beg_label_asym_id": @@ -54,6 +56,15 @@ protected Column createDelegate(String columnName, Column column) { } } + /** + * The value of _pdbx_domain_range.id uniquely identifies + * a range in the PDBX_DOMAIN_RANGE category. + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + /** * A component of the identifier for the monomer at which this * segment of the domain begins. diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityNonpoly.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityNonpoly.java index e81e51025..8a10a7d23 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityNonpoly.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityNonpoly.java @@ -6,7 +6,8 @@ import javax.annotation.Generated; /** - * + * The PDBX_ENTITY_NONPOLY category provides a mapping between + * entity and the nonpolymer component */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PdbxEntityNonpoly extends DelegatingCategory { @@ -23,6 +24,8 @@ protected Column createDelegate(String columnName, Column column) { return getCompId(); case "name": return getName(); + case "ma_model_mode": + return getMaModelMode(); default: return new DelegatingColumn(column); } @@ -52,4 +55,13 @@ public StrColumn getName() { return delegate.getColumn("name", DelegatingStrColumn::new); } + /** + * The data item provides information on whether the non-polymeric entity + * was explicitly modeled or implicitly derived from the template. + * @return StrColumn + */ + public StrColumn getMaModelMode() { + return delegate.getColumn("ma_model_mode", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityPolyCompLinkList.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityPolyCompLinkList.java index 8c96850f1..24535b5a9 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityPolyCompLinkList.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityPolyCompLinkList.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Data items in the PDBX_ENTITY_POLY_COMP_LINK_LIST category enumerate the + * Data items in the PDBX_ENTITY_POLY_COMP_LINK_LIST category enumerate * the linkages between components within the polymer entity. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityRemapping.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityRemapping.java new file mode 100644 index 000000000..d25c83716 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxEntityRemapping.java @@ -0,0 +1,46 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * When producing a biological assembly model file, data items in the pdbx_entity_remapping provide a mapping + * from the entity in original model file to this data file. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxEntityRemapping extends DelegatingCategory { + public PdbxEntityRemapping(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "entity_id": + return getEntityId(); + case "orig_entity_id": + return getOrigEntityId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * Uniquely identifies an _entity.id in this data block. + * @return StrColumn + */ + public StrColumn getEntityId() { + return delegate.getColumn("entity_id", DelegatingStrColumn::new); + } + + /** + * Uniquely identifies an _entity.id in the original model data block. + * @return StrColumn + */ + public StrColumn getOrigEntityId() { + return delegate.getColumn("orig_entity_id", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxEntryDetails.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxEntryDetails.java index b5d56be41..f2010129a 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxEntryDetails.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxEntryDetails.java @@ -30,6 +30,8 @@ protected Column createDelegate(String columnName, Column column) { return getSourceDetails(); case "has_ligand_of_interest": return getHasLigandOfInterest(); + case "has_protein_modification": + return getHasProteinModification(); default: return new DelegatingColumn(column); } @@ -86,4 +88,12 @@ public StrColumn getHasLigandOfInterest() { return delegate.getColumn("has_ligand_of_interest", DelegatingStrColumn::new); } + /** + * A flag to indicate if the model contains any protein modifications. + * @return StrColumn + */ + public StrColumn getHasProteinModification() { + return delegate.getColumn("has_protein_modification", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxInitialRefinementModel.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxInitialRefinementModel.java new file mode 100644 index 000000000..c9bda56b8 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxInitialRefinementModel.java @@ -0,0 +1,86 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the pdbx_initial_refinement_model record the starting model(s) used in structure determination. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxInitialRefinementModel extends DelegatingCategory { + public PdbxInitialRefinementModel(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "entity_id_list": + return getEntityIdList(); + case "type": + return getType(); + case "source_name": + return getSourceName(); + case "accession_code": + return getAccessionCode(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * A unique identifier for the starting model record. + * @return IntColumn + */ + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); + } + + /** + * A comma separated list of entities reflecting the initial model used for refinement + * @return StrColumn + */ + public StrColumn getEntityIdList() { + return delegate.getColumn("entity_id_list", DelegatingStrColumn::new); + } + + /** + * This item describes the type of the initial model was generated + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * This item identifies the resource of initial model used for refinement + * @return StrColumn + */ + public StrColumn getSourceName() { + return delegate.getColumn("source_name", DelegatingStrColumn::new); + } + + /** + * This item identifies an accession code of the resource where the initial model + * is used + * @return StrColumn + */ + public StrColumn getAccessionCode() { + return delegate.getColumn("accession_code", DelegatingStrColumn::new); + } + + /** + * A description of special aspects of the initial model + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxInvestigation.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxInvestigation.java new file mode 100644 index 000000000..297800e99 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxInvestigation.java @@ -0,0 +1,75 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * The PDBX_INVESTIGATION category provides a information of an investigation associated with this file. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxInvestigation extends DelegatingCategory { + public PdbxInvestigation(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "id": + return getId(); + case "type": + return getType(); + case "resource_name": + return getResourceName(); + case "resource_accession": + return getResourceAccession(); + case "details": + return getDetails(); + default: + return new DelegatingColumn(column); + } + } + + /** + * Uniquely identifies an investigation + * @return StrColumn + */ + public StrColumn getId() { + return delegate.getColumn("id", DelegatingStrColumn::new); + } + + /** + * Describes the type of investigation. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * The name of the resource archiving this investigation + * @return StrColumn + */ + public StrColumn getResourceName() { + return delegate.getColumn("resource_name", DelegatingStrColumn::new); + } + + /** + * The accession used to identify this investigation + * @return StrColumn + */ + public StrColumn getResourceAccession() { + return delegate.getColumn("resource_accession", DelegatingStrColumn::new); + } + + /** + * Additional details relevant to the investigation. + * @return StrColumn + */ + public StrColumn getDetails() { + return delegate.getColumn("details", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxModificationFeature.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxModificationFeature.java new file mode 100644 index 000000000..3515585f4 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxModificationFeature.java @@ -0,0 +1,369 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * Data items in the PDBX_MODIFICATION_FEATURE category provides + * information about all the protein modifications that have been + * modeled in the entry. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxModificationFeature extends DelegatingCategory { + public PdbxModificationFeature(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal": + return getOrdinal(); + case "label_comp_id": + return getLabelCompId(); + case "label_asym_id": + return getLabelAsymId(); + case "label_seq_id": + return getLabelSeqId(); + case "label_alt_id": + return getLabelAltId(); + case "modified_residue_label_comp_id": + return getModifiedResidueLabelCompId(); + case "modified_residue_label_asym_id": + return getModifiedResidueLabelAsymId(); + case "modified_residue_label_seq_id": + return getModifiedResidueLabelSeqId(); + case "modified_residue_label_alt_id": + return getModifiedResidueLabelAltId(); + case "auth_comp_id": + return getAuthCompId(); + case "auth_asym_id": + return getAuthAsymId(); + case "auth_seq_id": + return getAuthSeqId(); + case "PDB_ins_code": + return getPDBInsCode(); + case "symmetry": + return getSymmetry(); + case "modified_residue_auth_comp_id": + return getModifiedResidueAuthCompId(); + case "modified_residue_auth_asym_id": + return getModifiedResidueAuthAsymId(); + case "modified_residue_auth_seq_id": + return getModifiedResidueAuthSeqId(); + case "modified_residue_PDB_ins_code": + return getModifiedResiduePDBInsCode(); + case "modified_residue_symmetry": + return getModifiedResidueSymmetry(); + case "comp_id_linking_atom": + return getCompIdLinkingAtom(); + case "modified_residue_id_linking_atom": + return getModifiedResidueIdLinkingAtom(); + case "modified_residue_id": + return getModifiedResidueId(); + case "ref_pcm_id": + return getRefPcmId(); + case "ref_comp_id": + return getRefCompId(); + case "type": + return getType(); + case "category": + return getCategory(); + default: + return new DelegatingColumn(column); + } + } + + /** + * An ordinal index for this category. + * @return IntColumn + */ + public IntColumn getOrdinal() { + return delegate.getColumn("ordinal", DelegatingIntColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * describes the protein modification. + * + * This data item is a pointer to _atom_site.label_comp_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelCompId() { + return delegate.getColumn("label_comp_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * describes the protein modification. + * + * This data item is a pointer to _atom_site.label_asym_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelAsymId() { + return delegate.getColumn("label_asym_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * describes the protein modification. + * + * This data item is a pointer to _atom_site.label_seq_id in the + * ATOM_SITE category. + * @return IntColumn + */ + public IntColumn getLabelSeqId() { + return delegate.getColumn("label_seq_id", DelegatingIntColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * describes the protein modification. + * + * This data item is a pointer to _atom_site.label_alt_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getLabelAltId() { + return delegate.getColumn("label_alt_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * is being modified. + * + * This data item is a pointer to _atom_site.label_comp_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getModifiedResidueLabelCompId() { + return delegate.getColumn("modified_residue_label_comp_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * is being modified. + * + * This data item is a pointer to _atom_site.label_asym_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getModifiedResidueLabelAsymId() { + return delegate.getColumn("modified_residue_label_asym_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * is being modified. + * + * This data item is a pointer to _atom_site.label_seq_id in the + * ATOM_SITE category. + * @return IntColumn + */ + public IntColumn getModifiedResidueLabelSeqId() { + return delegate.getColumn("modified_residue_label_seq_id", DelegatingIntColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * is being modified. + * + * This data item is a pointer to _atom_site.label_alt_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getModifiedResidueLabelAltId() { + return delegate.getColumn("modified_residue_label_alt_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * describes the protein modification. + * + * This data item is a pointer to _atom_site.auth_comp_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getAuthCompId() { + return delegate.getColumn("auth_comp_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * describes the protein modification. + * + * This data item is a pointer to _atom_site.auth_asym_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getAuthAsymId() { + return delegate.getColumn("auth_asym_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * describes the protein modification. + * + * This data item is a pointer to _atom_site.auth_seq_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getAuthSeqId() { + return delegate.getColumn("auth_seq_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * describes the protein modification. + * + * This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getPDBInsCode() { + return delegate.getColumn("PDB_ins_code", DelegatingStrColumn::new); + } + + /** + * Describes the symmetry operation that should be applied to the + * protein modification group. + * @return StrColumn + */ + public StrColumn getSymmetry() { + return delegate.getColumn("symmetry", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * is being modified. + * + * This data item is a pointer to _atom_site.auth_comp_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getModifiedResidueAuthCompId() { + return delegate.getColumn("modified_residue_auth_comp_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * is being modified. + * + * This data item is a pointer to _atom_site.auth_asym_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getModifiedResidueAuthAsymId() { + return delegate.getColumn("modified_residue_auth_asym_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * is being modified. + * + * This data item is a pointer to _atom_site.auth_seq_id in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getModifiedResidueAuthSeqId() { + return delegate.getColumn("modified_residue_auth_seq_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the chemical component that + * is being modified. + * + * This data item is a pointer to _atom_site.pdbx_PDB_ins_code in the + * ATOM_SITE category. + * @return StrColumn + */ + public StrColumn getModifiedResiduePDBInsCode() { + return delegate.getColumn("modified_residue_PDB_ins_code", DelegatingStrColumn::new); + } + + /** + * Describes the symmetry operation that should be applied to the + * chemical component that is being modified. + * @return StrColumn + */ + public StrColumn getModifiedResidueSymmetry() { + return delegate.getColumn("modified_residue_symmetry", DelegatingStrColumn::new); + } + + /** + * The atom on the modification group that covalently links the + * modification to the residue that is being modified. This is + * only added when the protein modification is linked and so the + * amino acid group and the modification group are described by + * separate CCDs. + * @return StrColumn + */ + public StrColumn getCompIdLinkingAtom() { + return delegate.getColumn("comp_id_linking_atom", DelegatingStrColumn::new); + } + + /** + * The atom on the polypeptide residue group that covalently links + * the modification to the residue that is being modified. This is + * only added when the protein modification is linked and so the + * amino acid group and the modification group are described by + * separate CCDs. + * @return StrColumn + */ + public StrColumn getModifiedResidueIdLinkingAtom() { + return delegate.getColumn("modified_residue_id_linking_atom", DelegatingStrColumn::new); + } + + /** + * Chemical component identifier for the amino acid residue that is being modified. + * @return StrColumn + */ + public StrColumn getModifiedResidueId() { + return delegate.getColumn("modified_residue_id", DelegatingStrColumn::new); + } + + /** + * A component of the identifier for the unique kind of protein + * modification. + * + * This data item is a pointer to _pdbx_chem_comp_pcm.pcm_id in the + * CHEM_COMP_PCM category. + * @return IntColumn + */ + public IntColumn getRefPcmId() { + return delegate.getColumn("ref_pcm_id", DelegatingIntColumn::new); + } + + /** + * A component of the identifier for the unique kind of protein + * modification. + * + * This data item is a pointer to _pdbx_chem_comp_pcm.comp_id in the + * CHEM_COMP_PCM category. + * @return StrColumn + */ + public StrColumn getRefCompId() { + return delegate.getColumn("ref_comp_id", DelegatingStrColumn::new); + } + + /** + * The type of protein modification. + * @return StrColumn + */ + public StrColumn getType() { + return delegate.getColumn("type", DelegatingStrColumn::new); + } + + /** + * The category of protein modification. + * @return StrColumn + */ + public StrColumn getCategory() { + return delegate.getColumn("category", DelegatingStrColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxMoleculeFeatures.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxMoleculeFeatures.java index c81053f05..cd755d9dd 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxMoleculeFeatures.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxMoleculeFeatures.java @@ -34,7 +34,7 @@ protected Column createDelegate(String columnName, Column column) { } /** - * The value of _pdbx_molecule_features.prd_id is the PDB accession code for this + * The value of _pdbx_molecule_features.prd_id is the accession code for this * reference molecule. * @return StrColumn */ diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxNmrExptlSampleConditions.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxNmrExptlSampleConditions.java index 9c0db240e..1e64ea85c 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxNmrExptlSampleConditions.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxNmrExptlSampleConditions.java @@ -62,7 +62,7 @@ public StrColumn getConditionsId() { } /** - * The temperature (in Kelvin) at which NMR data were + * The temperature (in kelvin) at which NMR data were * collected. * @return StrColumn */ diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxNmrSpectrometer.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxNmrSpectrometer.java index a8d61eedc..9f2858b27 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxNmrSpectrometer.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxNmrSpectrometer.java @@ -71,7 +71,7 @@ public StrColumn getManufacturer() { } /** - * Select the field strength for protons in MHz. + * The field strength in MHz of the spectrometer * @return FloatColumn */ public FloatColumn getFieldStrength() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxReRefinement.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxReRefinement.java index 5f474a5df..a04081173 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxReRefinement.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxReRefinement.java @@ -39,8 +39,8 @@ public StrColumn getEntryId() { /** * A pointer to _citation.id in category CITATION describing the - * the citation of the entry from from which the experimental data - * was obtained. + * citation of the entry from from which the experimental data + * were obtained. * @return StrColumn */ public StrColumn getCitationId() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxRefineLsRestrNcs.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxRefineLsRestrNcs.java index 8a6b769b8..8f75b33e8 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxRefineLsRestrNcs.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxRefineLsRestrNcs.java @@ -43,7 +43,7 @@ public StrColumn getDomId() { } /** - * The the type of restraint applied to the domain + * The type of restraint applied to the domain * specified by _pdbx_refine_ls_restr_ncs.dom_id and in the domains * against which it was restrained. * @return StrColumn @@ -53,7 +53,7 @@ public StrColumn getType() { } /** - * The the number of this type of restraint applied to the domain + * The number of this type of restraint applied to the domain * specified by _pdbx_refine_ls_restr_ncs.dom_id and in the domains * against which it was restrained. * @return IntColumn diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxReflnSignalBinning.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxReflnSignalBinning.java new file mode 100644 index 000000000..ef13f5269 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxReflnSignalBinning.java @@ -0,0 +1,49 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * The binning of the per-reflection signal generated by the + * software specified by _reflns.pdbx_signal_software_id. + * If any reflections have a signal >= to the highest threshold + * specified, an additional bin should be inferred to hold them. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxReflnSignalBinning extends DelegatingCategory { + public PdbxReflnSignalBinning(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "ordinal": + return getOrdinal(); + case "upper_threshold": + return getUpperThreshold(); + default: + return new DelegatingColumn(column); + } + } + + /** + * The ordinal number of the bin, ordered from lowest signal + * to highest. + * @return IntColumn + */ + public IntColumn getOrdinal() { + return delegate.getColumn("ordinal", DelegatingIntColumn::new); + } + + /** + * The upper (exclusive) threshold of the bin. + * @return FloatColumn + */ + public FloatColumn getUpperThreshold() { + return delegate.getColumn("upper_threshold", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxRelatedExpDataSet.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxRelatedExpDataSet.java index 21ca64e1d..2c780d598 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxRelatedExpDataSet.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxRelatedExpDataSet.java @@ -28,6 +28,8 @@ protected Column createDelegate(String columnName, Column column) { return getDataSetType(); case "details": return getDetails(); + case "db_source": + return getDbSource(); default: return new DelegatingColumn(column); } @@ -74,4 +76,12 @@ public StrColumn getDetails() { return delegate.getColumn("details", DelegatingStrColumn::new); } + /** + * For external sources, the name of the resource. + * @return StrColumn + */ + public StrColumn getDbSource() { + return delegate.getColumn("db_source", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxSerialCrystallographyDataReduction.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxSerialCrystallographyDataReduction.java index f48ae2e0a..8e9df3e9f 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxSerialCrystallographyDataReduction.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxSerialCrystallographyDataReduction.java @@ -39,6 +39,8 @@ protected Column createDelegate(String columnName, Column column) { return getLatticesIndexed(); case "xfel_run_numbers": return getXfelRunNumbers(); + case "lattices_merged": + return getLatticesMerged(); default: return new DelegatingColumn(column); } @@ -139,4 +141,17 @@ public StrColumn getXfelRunNumbers() { return delegate.getColumn("xfel_run_numbers", DelegatingStrColumn::new); } + /** + * For experiments in which samples are provided in a + * continuous stream, the total number of crystal lattices + * that were merged in the final dataset. Can be + * less than frames_indexed depending on filtering during merging or + * can be more than frames_indexed if there are multiple lattices. + * per frame. + * @return IntColumn + */ + public IntColumn getLatticesMerged() { + return delegate.getColumn("lattices_merged", DelegatingIntColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsUnpSegments.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsUnpSegments.java new file mode 100644 index 000000000..98fe40a63 --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsUnpSegments.java @@ -0,0 +1,146 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * pdbx_sifts_unp_segments describes residue-range based cross-references specific to UniProt. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxSiftsUnpSegments extends DelegatingCategory { + public PdbxSiftsUnpSegments(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "entity_id": + return getEntityId(); + case "asym_id": + return getAsymId(); + case "unp_acc": + return getUnpAcc(); + case "segment_id": + return getSegmentId(); + case "instance_id": + return getInstanceId(); + case "unp_start": + return getUnpStart(); + case "unp_end": + return getUnpEnd(); + case "seq_id_start": + return getSeqIdStart(); + case "seq_id_end": + return getSeqIdEnd(); + case "best_mapping": + return getBestMapping(); + case "identity": + return getIdentity(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This data item is a pointer to _entity_poly_seq.entity_id in the + * ENTITY_POLY_SEQ category. + * @return StrColumn + */ + public StrColumn getEntityId() { + return delegate.getColumn("entity_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASYM category. + * @return StrColumn + */ + public StrColumn getAsymId() { + return delegate.getColumn("asym_id", DelegatingStrColumn::new); + } + + /** + * The UniProt accession code related to the SIFTS segment mapping. + * @return StrColumn + */ + public StrColumn getUnpAcc() { + return delegate.getColumn("unp_acc", DelegatingStrColumn::new); + } + + /** + * The UniProt segment defined by the external database. + * @return IntColumn + */ + public IntColumn getSegmentId() { + return delegate.getColumn("segment_id", DelegatingIntColumn::new); + } + + /** + * The UniProt instance identifier. + * @return IntColumn + */ + public IntColumn getInstanceId() { + return delegate.getColumn("instance_id", DelegatingIntColumn::new); + } + + /** + * The sequence position in the related UniProt entry + * at which the mapping alignment begins. + * @return IntColumn + */ + public IntColumn getUnpStart() { + return delegate.getColumn("unp_start", DelegatingIntColumn::new); + } + + /** + * The sequence position in the related UniProt entry + * at which the mapping alignment ends. + * @return IntColumn + */ + public IntColumn getUnpEnd() { + return delegate.getColumn("unp_end", DelegatingIntColumn::new); + } + + /** + * The sequence position in the entity or biological unit described + * in the data block at which the UniProt alignment begins. + * @return IntColumn + */ + public IntColumn getSeqIdStart() { + return delegate.getColumn("seq_id_start", DelegatingIntColumn::new); + } + + /** + * The sequence position in the entity or biological unit described + * in the data block at which the UniProt alignment ends. + * + * This data item is a pointer to _entity_poly_seq.num in the + * ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqIdEnd() { + return delegate.getColumn("seq_id_end", DelegatingIntColumn::new); + } + + /** + * This code indicates whether the SIFTS UniProt accession and residue range was the best-scoring + * sequence match. + * @return StrColumn + */ + public StrColumn getBestMapping() { + return delegate.getColumn("best_mapping", DelegatingStrColumn::new); + } + + /** + * The identity score reports on the sequence identity for the sequence defined by the entity start and end range + * compared to the sequence defined by start and end range of the related UniProt accession. + * @return FloatColumn + */ + public FloatColumn getIdentity() { + return delegate.getColumn("identity", DelegatingFloatColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsXrefDb.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsXrefDb.java new file mode 100644 index 000000000..b8d7ec0cd --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsXrefDb.java @@ -0,0 +1,224 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * pdbx_sifts_xref_db describes residue-level cross-references to external databases. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxSiftsXrefDb extends DelegatingCategory { + public PdbxSiftsXrefDb(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "entity_id": + return getEntityId(); + case "asym_id": + return getAsymId(); + case "seq_id_ordinal": + return getSeqIdOrdinal(); + case "seq_id": + return getSeqId(); + case "mon_id": + return getMonId(); + case "mon_id_one_letter_code": + return getMonIdOneLetterCode(); + case "unp_res": + return getUnpRes(); + case "unp_num": + return getUnpNum(); + case "unp_acc": + return getUnpAcc(); + case "unp_segment_id": + return getUnpSegmentId(); + case "unp_instance_id": + return getUnpInstanceId(); + case "res_type": + return getResType(); + case "observed": + return getObserved(); + case "mh_id": + return getMhId(); + case "xref_db_name": + return getXrefDbName(); + case "xref_db_acc": + return getXrefDbAcc(); + case "xref_domain_name": + return getXrefDomainName(); + case "xref_db_segment_id": + return getXrefDbSegmentId(); + case "xref_db_instance_id": + return getXrefDbInstanceId(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This data item is a pointer to _entity.id in the ENTITY category. + * @return StrColumn + */ + public StrColumn getEntityId() { + return delegate.getColumn("entity_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASYM category. + * @return StrColumn + */ + public StrColumn getAsymId() { + return delegate.getColumn("asym_id", DelegatingStrColumn::new); + } + + /** + * The value of pdbx_sifts_xref_db.seq_id_ordinal identifies a distinct residue specific cross-reference record + * in the _pdbx_sifts_xref_db category. + * @return IntColumn + */ + public IntColumn getSeqIdOrdinal() { + return delegate.getColumn("seq_id_ordinal", DelegatingIntColumn::new); + } + + /** + * This data item is an effective pointer to _entity_poly_seq.num in the + * ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqId() { + return delegate.getColumn("seq_id", DelegatingIntColumn::new); + } + + /** + * This data item is an effective pointer to _entity_poly_seq.mon_id. + * @return StrColumn + */ + public StrColumn getMonId() { + return delegate.getColumn("mon_id", DelegatingStrColumn::new); + } + + /** + * Describes the standard polymer component of _pdbx_sifts_xref_db.mon_id as one-letter code + * @return StrColumn + */ + public StrColumn getMonIdOneLetterCode() { + return delegate.getColumn("mon_id_one_letter_code", DelegatingStrColumn::new); + } + + /** + * Describes the residue type, in one-letter code, at the corresponding residue position + * of the related UniProt match + * @return StrColumn + */ + public StrColumn getUnpRes() { + return delegate.getColumn("unp_res", DelegatingStrColumn::new); + } + + /** + * The sequence position of the UniProt entry that corresponds + * to the residue mapping. + * @return IntColumn + */ + public IntColumn getUnpNum() { + return delegate.getColumn("unp_num", DelegatingIntColumn::new); + } + + /** + * The UniProt accession code for the mapped entry + * @return StrColumn + */ + public StrColumn getUnpAcc() { + return delegate.getColumn("unp_acc", DelegatingStrColumn::new); + } + + /** + * The pdbx_sifts_xref_db UniProt segment ID refers to the distinct contiguous residue-range segments with a + * UniProt residue mapping. + * @return IntColumn + */ + public IntColumn getUnpSegmentId() { + return delegate.getColumn("unp_segment_id", DelegatingIntColumn::new); + } + + /** + * The pdbx_sifts_xref_db UniProt instance ID refers to distinct UniProt residue mappings for a given + * position (i.e. the same segment, residue, asym, & entity). + * @return IntColumn + */ + public IntColumn getUnpInstanceId() { + return delegate.getColumn("unp_instance_id", DelegatingIntColumn::new); + } + + /** + * A description of the difference between the entity sequence position + * residue type and that in the mapped UniProt entry. + * @return StrColumn + */ + public StrColumn getResType() { + return delegate.getColumn("res_type", DelegatingStrColumn::new); + } + + /** + * Describes whether or not a reside has atomic coordinates in the corresponding model. + * @return StrColumn + */ + public StrColumn getObserved() { + return delegate.getColumn("observed", DelegatingStrColumn::new); + } + + /** + * An index value corresponding to the instance of microheterogeneity per residue + * @return IntColumn + */ + public IntColumn getMhId() { + return delegate.getColumn("mh_id", DelegatingIntColumn::new); + } + + /** + * The name of additional external databases with residue level mapping. + * @return StrColumn + */ + public StrColumn getXrefDbName() { + return delegate.getColumn("xref_db_name", DelegatingStrColumn::new); + } + + /** + * The accession code related to the additional external database entry. + * @return StrColumn + */ + public StrColumn getXrefDbAcc() { + return delegate.getColumn("xref_db_acc", DelegatingStrColumn::new); + } + + /** + * The domain name defined by the external database. + * @return StrColumn + */ + public StrColumn getXrefDomainName() { + return delegate.getColumn("xref_domain_name", DelegatingStrColumn::new); + } + + /** + * The pdbx_sifts_xref_db xref segment ID refers to a distinct contiguous residue-range segment for a + * mapping to a specific external database. + * @return IntColumn + */ + public IntColumn getXrefDbSegmentId() { + return delegate.getColumn("xref_db_segment_id", DelegatingIntColumn::new); + } + + /** + * The instance identifier defined by the external database. + * @return IntColumn + */ + public IntColumn getXrefDbInstanceId() { + return delegate.getColumn("xref_db_instance_id", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsXrefDbSegments.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsXrefDbSegments.java new file mode 100644 index 000000000..684227d0f --- /dev/null +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxSiftsXrefDbSegments.java @@ -0,0 +1,124 @@ +package org.rcsb.cif.schema.mm; + +import org.rcsb.cif.model.*; +import org.rcsb.cif.schema.*; + +import javax.annotation.Generated; + +/** + * pdbx_sifts_xref_db_segments describes residue-range based cross-references to external databases. + */ +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class PdbxSiftsXrefDbSegments extends DelegatingCategory { + public PdbxSiftsXrefDbSegments(Category delegate) { + super(delegate); + } + + @Override + protected Column createDelegate(String columnName, Column column) { + switch (columnName) { + case "entity_id": + return getEntityId(); + case "asym_id": + return getAsymId(); + case "xref_db": + return getXrefDb(); + case "xref_db_acc": + return getXrefDbAcc(); + case "domain_name": + return getDomainName(); + case "segment_id": + return getSegmentId(); + case "instance_id": + return getInstanceId(); + case "seq_id_start": + return getSeqIdStart(); + case "seq_id_end": + return getSeqIdEnd(); + default: + return new DelegatingColumn(column); + } + } + + /** + * This data item is a pointer to _entity.id in the ENTITY category. + * @return StrColumn + */ + public StrColumn getEntityId() { + return delegate.getColumn("entity_id", DelegatingStrColumn::new); + } + + /** + * This data item is a pointer to _struct_asym.id in the + * STRUCT_ASYM category. + * @return StrColumn + */ + public StrColumn getAsymId() { + return delegate.getColumn("asym_id", DelegatingStrColumn::new); + } + + /** + * The name of additional external databases with range level mapping. + * @return StrColumn + */ + public StrColumn getXrefDb() { + return delegate.getColumn("xref_db", DelegatingStrColumn::new); + } + + /** + * The accession code related to the external database entry. + * @return StrColumn + */ + public StrColumn getXrefDbAcc() { + return delegate.getColumn("xref_db_acc", DelegatingStrColumn::new); + } + + /** + * The domain name defined by the external database. + * @return StrColumn + */ + public StrColumn getDomainName() { + return delegate.getColumn("domain_name", DelegatingStrColumn::new); + } + + /** + * The segment identifier defined by the external database. + * @return IntColumn + */ + public IntColumn getSegmentId() { + return delegate.getColumn("segment_id", DelegatingIntColumn::new); + } + + /** + * The instance identifier defined by the external database. + * @return IntColumn + */ + public IntColumn getInstanceId() { + return delegate.getColumn("instance_id", DelegatingIntColumn::new); + } + + /** + * The sequence position in the entity or biological unit described + * in the data block at which the segment alignment begins. + * + * This data item is a pointer to _entity_poly_seq.num in the + * ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqIdStart() { + return delegate.getColumn("seq_id_start", DelegatingIntColumn::new); + } + + /** + * The sequence position in the entity or biological unit described + * in the data block at which the segment alignment ends. + * + * This data item is a pointer to _entity_poly_seq.num in the + * ENTITY_POLY_SEQ category. + * @return IntColumn + */ + public IntColumn getSeqIdEnd() { + return delegate.getColumn("seq_id_end", DelegatingIntColumn::new); + } + +} \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxSolnScatter.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxSolnScatter.java index 618c4b5e4..1b1878278 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxSolnScatter.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxSolnScatter.java @@ -448,7 +448,7 @@ public FloatColumn getMaxMeanCrossSectionalRadiiGyrationEsd() { /** * The length (or range) of the protein sample under study. * If the solution structure is approximated as an elongated elliptical - * cyclinder the the length L is determined from, + * cyclinder the length L is determined from, * * L = sqrt [12( (R_G)^2 - (R_XS)^2 ) ] * diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxStructAssembly.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxStructAssembly.java index dacc93698..860629aaf 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxStructAssembly.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxStructAssembly.java @@ -60,6 +60,10 @@ public IntColumn getOligomericCount() { /** * A description of special aspects of the macromolecular assembly. + * + * In the PDB, 'representative helical assembly', 'complete point assembly', + * 'complete icosahedral assembly', 'software_defined_assembly', 'author_defined_assembly', + * and 'author_and_software_defined_assembly' are considered "biologically relevant assemblies. * @return StrColumn */ public StrColumn getDetails() { diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxStructNcsVirusGen.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxStructNcsVirusGen.java index c9193e915..dd8a02e0b 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxStructNcsVirusGen.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxStructNcsVirusGen.java @@ -41,10 +41,10 @@ public StrColumn getId() { /** * Identifies the NCS operation (_struct_ncs_oper.id) - * @return StrColumn + * @return IntColumn */ - public StrColumn getOperId() { - return delegate.getColumn("oper_id", DelegatingStrColumn::new); + public IntColumn getOperId() { + return delegate.getColumn("oper_id", DelegatingIntColumn::new); } /** diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxStructOperList.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxStructOperList.java index 684056a26..4f68fa41d 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxStructOperList.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxStructOperList.java @@ -51,6 +51,8 @@ protected Column createDelegate(String columnName, Column column) { return getVector2(); case "vector[3]": return getVector3(); + case "full_matrix": + return getFullMatrix(); default: return new DelegatingColumn(column); } @@ -197,4 +199,12 @@ public FloatColumn getVector3() { return delegate.getColumn("vector[3]", DelegatingFloatColumn::new); } + /** + * Transformation matrix as provided by depositor + * @return StrColumn + */ + public StrColumn getFullMatrix() { + return delegate.getColumn("full_matrix", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxValContact.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxValContact.java index 9a14c6e98..78e4ada4b 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxValContact.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxValContact.java @@ -10,8 +10,8 @@ * assymetric unit of the entry that are in close contact. * * For those contacts not involving hydrogen a limit of - * 2.2 Angstroms is used. For contacts involving a hydrogen atom - * a cutoff of 1.6 Angstrom is used. + * 2.2 angstroms is used. For contacts involving a hydrogen atom + * a cutoff of 1.6 angstroms is used. * * This is a completely derived category. Do not edit. */ diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxValSymContact.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxValSymContact.java index cda65bd04..64f40ced0 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxValSymContact.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxValSymContact.java @@ -10,8 +10,8 @@ * contacts amoung non-bonded atoms. * * For those contacts not involving hydrogen a limit of - * 2.2 Angstroms is used. For contacts involving a hydrogen atom - * a cutoff of 1.6 Angstrom is used. + * 2.2 angstroms is used. For contacts involving a hydrogen atom + * a cutoff of 1.6 angstroms is used. * * This is a completely derived category. Do not edit. */ diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateCloseContact.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateCloseContact.java index 69886d08c..cd3a11757 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateCloseContact.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateCloseContact.java @@ -13,8 +13,8 @@ * the asymmetric unit are considered. * * For those contacts not involving hydrogen a limit of - * 2.2 Angstroms is used. For contacts involving a hydrogen atom - * a cutoff of 1.6 Angstroms is used. + * 2.2 angstroms is used. For contacts involving a hydrogen atom + * a cutoff of 1.6 angstroms is used. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PdbxValidateCloseContact extends DelegatingCategory { diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateRmsdAngle.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateRmsdAngle.java index d6c340eeb..ce9283b58 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateRmsdAngle.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateRmsdAngle.java @@ -6,7 +6,7 @@ import javax.annotation.Generated; /** - * Data items in the PDBX_VALIDATE_RMSD_ANGLE category list the + * Data items in the PDBX_VALIDATE_RMSD_ANGLE category list * the covalent bond angles found in an entry that have * values which deviate from expected values by more * than 6*rmsd for the particular entry from the expected standard diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateSymmContact.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateSymmContact.java index 2c7a2db2d..f06ae2c85 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateSymmContact.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxValidateSymmContact.java @@ -12,8 +12,8 @@ * approach by van der Waals contacts. Contacts with * for symmetry related contacts are considered. * For those contacts not involving hydrogen a limit of - * 2.2 Angstroms is used. For contacts involving a hydrogen atom - * a cutoff of 1.6Angstrom is used. + * 2.2 angstroms is used. For contacts involving a hydrogen atom + * a cutoff of 1.6 angstrom is used. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PdbxValidateSymmContact extends DelegatingCategory { diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxViewCategory.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxViewCategory.java index 6c74b5037..6dc6d5a00 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxViewCategory.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxViewCategory.java @@ -8,8 +8,8 @@ /** * Data items in the PDBX_VIEW_CATEGORY specify the categories * belonging to a category view group. An alias name for the - * the mmCIF category may also be specified for the each - * category in the view. + * mmCIF category may also be specified for the each category + * in the view. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") public class PdbxViewCategory extends DelegatingCategory { diff --git a/src/main/java/org/rcsb/cif/schema/mm/PdbxViewItem.java b/src/main/java/org/rcsb/cif/schema/mm/PdbxViewItem.java index a3736d32d..c4ff6092e 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/PdbxViewItem.java +++ b/src/main/java/org/rcsb/cif/schema/mm/PdbxViewItem.java @@ -8,8 +8,8 @@ /** * Data items in the PDBX_VIEW_ITEM specify the mmCIF data items * belonging to a view category. An alias name for the - * the mmCIF item may be specified for the each item in the - * view category. The role of the item in the view category + * mmCIF item may be specified for the each item in the view + * category. The role of the item in the view category * can be designated as mandatory, optional, or hidden. */ @Generated("org.rcsb.cif.schema.generator.SchemaGenerator") diff --git a/src/main/java/org/rcsb/cif/schema/mm/Refine.java b/src/main/java/org/rcsb/cif/schema/mm/Refine.java index 600157168..0258a9b92 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Refine.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Refine.java @@ -162,6 +162,10 @@ protected Column createDelegate(String columnName, Column column) { return getSolventModelParamBsol(); case "solvent_model_param_ksol": return getSolventModelParamKsol(); + case "correlation_coeff_I_to_Fcsqd_work": + return getCorrelationCoeffIToFcsqdWork(); + case "correlation_coeff_I_to_Fcsqd_free": + return getCorrelationCoeffIToFcsqdFree(); case "pdbx_R_complete": return getPdbxRComplete(); case "ls_R_factor_gt": @@ -1354,6 +1358,50 @@ public FloatColumn getSolventModelParamKsol() { return delegate.getColumn("solvent_model_param_ksol", DelegatingFloatColumn::new); } + /** + * The Pearson correlation coefficient between the observed (merged) + * intensities and the intensities calculated from a model for reflections + * included in the refinement (work reflections). + * + * The correlation coefficient is scale-independent and gives + * an idea of the quality of the refined model. + * + * <Io Ic> - <Io> <Ic> + * Corr = ---------------------------------------------- + * SQRT{<Io^2^>-<Io>^2^} SQRT{<Ic^2^>-<Ic>^2^} + * + * Io = observed intensities + * Ic = |Fc|^2^ = calculated intensities + * <> denotes the average value, where the average is taken over + * the reflections included in the refinement (work reflections) + * @return FloatColumn + */ + public FloatColumn getCorrelationCoeffIToFcsqdWork() { + return delegate.getColumn("correlation_coeff_I_to_Fcsqd_work", DelegatingFloatColumn::new); + } + + /** + * The Pearson correlation coefficient between the observed (merged) + * intensities and the intensities calculated from a model for reflections + * not included in the refinement (free reflections). + * + * The correlation coefficient is scale-independent and gives + * an idea of the quality of the refined model. + * + * <Io Ic> - <Io> <Ic> + * Corr = ---------------------------------------------- + * SQRT{<Io^2^>-<Io>^2^} SQRT{<Ic^2^>-<Ic>^2^} + * + * Io = observed intensities + * Ic = |Fc|^2^ = calculated intensities + * <> denotes the average value, where the average is taken over + * the reflections not included in the refinement (free reflections) + * @return FloatColumn + */ + public FloatColumn getCorrelationCoeffIToFcsqdFree() { + return delegate.getColumn("correlation_coeff_I_to_Fcsqd_free", DelegatingFloatColumn::new); + } + /** * The crystallographic reliability index Rcomplete for * reflections that satisfy the resolution limits diff --git a/src/main/java/org/rcsb/cif/schema/mm/RefineLsRestr.java b/src/main/java/org/rcsb/cif/schema/mm/RefineLsRestr.java index 65377802c..b4693519f 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/RefineLsRestr.java +++ b/src/main/java/org/rcsb/cif/schema/mm/RefineLsRestr.java @@ -35,6 +35,8 @@ protected Column createDelegate(String columnName, Column column) { return getType(); case "weight": return getWeight(); + case "pdbx_Zscore": + return getPdbxZscore(); case "pdbx_restraint_function": return getPdbxRestraintFunction(); default: @@ -127,6 +129,15 @@ public FloatColumn getWeight() { return delegate.getColumn("weight", DelegatingFloatColumn::new); } + /** + * For the given parameter type, the target Z-score deviation from + * the ideal values used as restraints. + * @return FloatColumn + */ + public FloatColumn getPdbxZscore() { + return delegate.getColumn("pdbx_Zscore", DelegatingFloatColumn::new); + } + /** * The functional form of the restraint function used in the least-squares * refinement. diff --git a/src/main/java/org/rcsb/cif/schema/mm/RefineLsShell.java b/src/main/java/org/rcsb/cif/schema/mm/RefineLsShell.java index 762599129..78fc85a5a 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/RefineLsShell.java +++ b/src/main/java/org/rcsb/cif/schema/mm/RefineLsShell.java @@ -41,8 +41,6 @@ protected Column createDelegate(String columnName, Column column) { return getRFactorAll(); case "R_factor_obs": return getRFactorObs(); - case "R_factor_R_free": - return getRFactorRFree(); case "R_factor_R_free_error": return getRFactorRFreeError(); case "R_factor_R_work": @@ -61,6 +59,14 @@ protected Column createDelegate(String columnName, Column column) { return getWRFactorRWork(); case "pdbx_R_complete": return getPdbxRComplete(); + case "correlation_coeff_Fo_to_Fc": + return getCorrelationCoeffFoToFc(); + case "correlation_coeff_Fo_to_Fc_free": + return getCorrelationCoeffFoToFcFree(); + case "correlation_coeff_I_to_Fcsqd_work": + return getCorrelationCoeffIToFcsqdWork(); + case "correlation_coeff_I_to_Fcsqd_free": + return getCorrelationCoeffIToFcsqdFree(); case "pdbx_total_number_of_bins_used": return getPdbxTotalNumberOfBinsUsed(); case "pdbx_phase_error": @@ -69,6 +75,8 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxFscWork(); case "pdbx_fsc_free": return getPdbxFscFree(); + case "R_factor_R_free": + return getRFactorRFree(); default: return new DelegatingColumn(column); } @@ -223,30 +231,6 @@ public FloatColumn getRFactorObs() { return delegate.getColumn("R_factor_obs", DelegatingFloatColumn::new); } - /** - * Residual factor R for reflections that satisfy the resolution - * limits established by _refine_ls_shell.d_res_high and - * _refine_ls_shell.d_res_low and the observation limit - * established by _reflns.observed_criterion, and that were - * used as the test reflections (i.e. were excluded from the - * refinement) when the refinement included the calculation - * of a 'free' R factor. Details of how reflections were assigned - * to the working and test sets are given in _reflns.R_free_details. - * - * sum|F~obs~ - F~calc~| - * R = --------------------- - * sum|F~obs~| - * - * F~obs~ = the observed structure-factor amplitudes - * F~calc~ = the calculated structure-factor amplitudes - * - * sum is taken over the specified reflections - * @return FloatColumn - */ - public FloatColumn getRFactorRFree() { - return delegate.getColumn("R_factor_R_free", DelegatingFloatColumn::new); - } - /** * The estimated error in _refine_ls_shell.R_factor_R_free. * The method used to estimate the error is described in the @@ -419,6 +403,101 @@ public FloatColumn getPdbxRComplete() { return delegate.getColumn("pdbx_R_complete", DelegatingFloatColumn::new); } + /** + * The correlation coefficient between the observed and + * calculated structure factors for reflections that satisfy the + * resolution limits established by _refine_ls_shell.d_res_high + * and _refine_ls_shell.d_res_low included in the refinement. + * + * The correlation coefficient is scale-independent and gives + * an idea of the quality of the refined model. + * + * sum~i~(Fo~i~ Fc~i~ - <Fo><Fc>) + * R~corr~ = ------------------------------------------------------------ + * SQRT{sum~i~(Fo~i~)^2^-<Fo>^2^} SQRT{sum~i~(Fc~i~)^2^-<Fc>^2^} + * + * Fo = observed structure factors + * Fc = calculated structure factors + * <> denotes average value + * + * summation is over reflections included in the refinement + * @return FloatColumn + */ + public FloatColumn getCorrelationCoeffFoToFc() { + return delegate.getColumn("correlation_coeff_Fo_to_Fc", DelegatingFloatColumn::new); + } + + /** + * The correlation coefficient between the observed and + * calculated structure factors for reflections + * that satisfy the resolution limits established + * by _refine_ls_shell.d_res_high and + * _refine_ls_shell.d_res_low not included in the + * refinement (free reflections). + * + * The correlation coefficient is scale-independent and gives + * an idea of the quality of the refined model. + * + * sum~i~(Fo~i~ Fc~i~ - <Fo><Fc>) + * R~corr~ = ------------------------------------------------------------ + * SQRT{sum~i~(Fo~i~)^2^-<Fo>^2^} SQRT{sum~i~(Fc~i~)^2^-<Fc>^2^} + * + * Fo = observed structure factors + * Fc = calculated structure factors + * <> denotes average value + * + * summation is over reflections not included + * in the refinement (free reflections) + * @return FloatColumn + */ + public FloatColumn getCorrelationCoeffFoToFcFree() { + return delegate.getColumn("correlation_coeff_Fo_to_Fc_free", DelegatingFloatColumn::new); + } + + /** + * The Pearson correlation coefficient between the observed (merged) + * intensities and the intensities calculated from a model for reflections + * included in the refinement (work reflections). + * + * The correlation coefficient is scale-independent and gives + * an idea of the quality of the refined model. + * + * <Io Ic> - <Io> <Ic> + * Corr = ---------------------------------------------- + * SQRT{<Io^2^>-<Io>^2^} SQRT{<Ic^2^>-<Ic>^2^} + * + * Io = observed intensities + * Ic = |Fc|^2^ = calculated intensities + * <> denotes the average value, where the average is taken over + * the reflections included in the refinement (work reflections) + * @return FloatColumn + */ + public FloatColumn getCorrelationCoeffIToFcsqdWork() { + return delegate.getColumn("correlation_coeff_I_to_Fcsqd_work", DelegatingFloatColumn::new); + } + + /** + * The Pearson correlation coefficient between the observed (merged) + * intensities and the intensities calculated from a model for reflections + * not included in the refinement (free reflections). + * + * The correlation coefficient is scale-independent and gives + * an idea of the quality of the refined model. + * + * <Io Ic> - <Io> <Ic> + * Corr = ---------------------------------------------- + * SQRT{<Io^2^>-<Io>^2^} SQRT{<Ic^2^>-<Ic>^2^} + * + * Io = observed intensities + * Ic = |Fc|^2^ = calculated intensities + * <> denotes the average value, where the average is taken over + * the reflections not included in the refinement (free reflections) + * @return FloatColumn + */ + public FloatColumn getCorrelationCoeffIToFcsqdFree() { + return delegate.getColumn("correlation_coeff_I_to_Fcsqd_free", DelegatingFloatColumn::new); + } + /** * Total number of bins used. * @return IntColumn @@ -493,4 +572,28 @@ public FloatColumn getPdbxFscFree() { return delegate.getColumn("pdbx_fsc_free", DelegatingFloatColumn::new); } + /** + * Residual factor R for reflections that satisfy the resolution + * limits established by _refine_ls_shell.d_res_high and + * _refine_ls_shell.d_res_low and the observation limit + * established by _reflns.observed_criterion, and that were + * used as the test reflections (i.e. were excluded from the + * refinement) when the refinement included the calculation + * of a 'free' R factor. Details of how reflections were assigned + * to the working and test sets are given in _reflns.R_free_details. + * + * sum|F~obs~ - F~calc~| + * R = --------------------- + * sum|F~obs~| + * + * F~obs~ = the observed structure-factor amplitudes + * F~calc~ = the calculated structure-factor amplitudes + * + * sum is taken over the specified reflections + * @return FloatColumn + */ + public FloatColumn getRFactorRFree() { + return delegate.getColumn("R_factor_R_free", DelegatingFloatColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/Refln.java b/src/main/java/org/rcsb/cif/schema/mm/Refln.java index 88e0df631..d936173ef 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Refln.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Refln.java @@ -166,6 +166,10 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxCosPhaseCalc(); case "pdbx_sin_phase_calc": return getPdbxSinPhaseCalc(); + case "pdbx_signal": + return getPdbxSignal(); + case "pdbx_signal_status": + return getPdbxSignalStatus(); default: return new DelegatingColumn(column); } @@ -598,7 +602,7 @@ public FloatColumn getPdbxAnomDifference() { } /** - * The the standard deviation of the amplitude difference + * The standard deviation of the amplitude difference * of the Friedel pair, D(hkl) = F(hkl) - F(-h-k-l). * @return FloatColumn */ @@ -839,4 +843,39 @@ public FloatColumn getPdbxSinPhaseCalc() { return delegate.getColumn("pdbx_sin_phase_calc", DelegatingFloatColumn::new); } + /** + * The signal value for this reflection as defined by + * _reflns.pdbx_signal_type and _reflns.pdbx_signal_details + * as calculated by _reflns.pdbx_signal_software_id. + * @return FloatColumn + */ + public FloatColumn getPdbxSignal() { + return delegate.getColumn("pdbx_signal", DelegatingFloatColumn::new); + } + + /** + * The status of a reflection related to _refln.pdbx_signal. + * + * A measured reflection counts as observed if: + * _refln.pdbx_signal >= _reflns.pdbx_observed_signal_threshold + * and unobserved if: + * _refln.pdbx_signal < _reflns.pdbx_observed_signal_threshold + * + * An unmeasured but observable reflection is one that has not + * been measured, but the data processing has determined that it + * would have been expected to be observed had it been measured. + * + * An unmeasured and unobservable reflection is one that the data + * processing has determined would not have been expected to be + * observed. + * + * In datasets in which _refln.pdbx_signal has been populated, a null + * (?) value for this item indicates an unmeasured reflection for + * which it is not known whether it is observable or not. + * @return StrColumn + */ + public StrColumn getPdbxSignalStatus() { + return delegate.getColumn("pdbx_signal_status", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/Reflns.java b/src/main/java/org/rcsb/cif/schema/mm/Reflns.java index bb900decf..3a9f85af5 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Reflns.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Reflns.java @@ -84,12 +84,6 @@ protected Column createDelegate(String columnName, Column column) { return getThresholdExpression(); case "pdbx_redundancy": return getPdbxRedundancy(); - case "pdbx_Rmerge_I_obs": - return getPdbxRmergeIObs(); - case "pdbx_Rmerge_I_all": - return getPdbxRmergeIAll(); - case "pdbx_Rsym_value": - return getPdbxRsymValue(); case "pdbx_netI_over_av_sigmaI": return getPdbxNetIOverAvSigmaI(); case "pdbx_netI_over_sigmaI": @@ -138,6 +132,88 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxRpimIAllAnomalous(); case "pdbx_Rmerge_I_anomalous": return getPdbxRmergeIAnomalous(); + case "pdbx_Rmerge_I_obs": + return getPdbxRmergeIObs(); + case "pdbx_Rmerge_I_all": + return getPdbxRmergeIAll(); + case "pdbx_Rsym_value": + return getPdbxRsymValue(); + case "pdbx_aniso_diffraction_limit_axis_1_ortho[1]": + return getPdbxAnisoDiffractionLimitAxis1Ortho1(); + case "pdbx_aniso_diffraction_limit_axis_1_ortho[2]": + return getPdbxAnisoDiffractionLimitAxis1Ortho2(); + case "pdbx_aniso_diffraction_limit_axis_1_ortho[3]": + return getPdbxAnisoDiffractionLimitAxis1Ortho3(); + case "pdbx_aniso_diffraction_limit_axis_2_ortho[1]": + return getPdbxAnisoDiffractionLimitAxis2Ortho1(); + case "pdbx_aniso_diffraction_limit_axis_2_ortho[2]": + return getPdbxAnisoDiffractionLimitAxis2Ortho2(); + case "pdbx_aniso_diffraction_limit_axis_2_ortho[3]": + return getPdbxAnisoDiffractionLimitAxis2Ortho3(); + case "pdbx_aniso_diffraction_limit_axis_3_ortho[1]": + return getPdbxAnisoDiffractionLimitAxis3Ortho1(); + case "pdbx_aniso_diffraction_limit_axis_3_ortho[2]": + return getPdbxAnisoDiffractionLimitAxis3Ortho2(); + case "pdbx_aniso_diffraction_limit_axis_3_ortho[3]": + return getPdbxAnisoDiffractionLimitAxis3Ortho3(); + case "pdbx_aniso_diffraction_limit_1": + return getPdbxAnisoDiffractionLimit1(); + case "pdbx_aniso_diffraction_limit_2": + return getPdbxAnisoDiffractionLimit2(); + case "pdbx_aniso_diffraction_limit_3": + return getPdbxAnisoDiffractionLimit3(); + case "pdbx_aniso_B_tensor_eigenvector_1_ortho[1]": + return getPdbxAnisoBTensorEigenvector1Ortho1(); + case "pdbx_aniso_B_tensor_eigenvector_1_ortho[2]": + return getPdbxAnisoBTensorEigenvector1Ortho2(); + case "pdbx_aniso_B_tensor_eigenvector_1_ortho[3]": + return getPdbxAnisoBTensorEigenvector1Ortho3(); + case "pdbx_aniso_B_tensor_eigenvector_2_ortho[1]": + return getPdbxAnisoBTensorEigenvector2Ortho1(); + case "pdbx_aniso_B_tensor_eigenvector_2_ortho[2]": + return getPdbxAnisoBTensorEigenvector2Ortho2(); + case "pdbx_aniso_B_tensor_eigenvector_2_ortho[3]": + return getPdbxAnisoBTensorEigenvector2Ortho3(); + case "pdbx_aniso_B_tensor_eigenvector_3_ortho[1]": + return getPdbxAnisoBTensorEigenvector3Ortho1(); + case "pdbx_aniso_B_tensor_eigenvector_3_ortho[2]": + return getPdbxAnisoBTensorEigenvector3Ortho2(); + case "pdbx_aniso_B_tensor_eigenvector_3_ortho[3]": + return getPdbxAnisoBTensorEigenvector3Ortho3(); + case "pdbx_aniso_B_tensor_eigenvalue_1": + return getPdbxAnisoBTensorEigenvalue1(); + case "pdbx_aniso_B_tensor_eigenvalue_2": + return getPdbxAnisoBTensorEigenvalue2(); + case "pdbx_aniso_B_tensor_eigenvalue_3": + return getPdbxAnisoBTensorEigenvalue3(); + case "pdbx_orthogonalization_convention": + return getPdbxOrthogonalizationConvention(); + case "pdbx_percent_possible_ellipsoidal": + return getPdbxPercentPossibleEllipsoidal(); + case "pdbx_percent_possible_spherical": + return getPdbxPercentPossibleSpherical(); + case "pdbx_percent_possible_ellipsoidal_anomalous": + return getPdbxPercentPossibleEllipsoidalAnomalous(); + case "pdbx_percent_possible_spherical_anomalous": + return getPdbxPercentPossibleSphericalAnomalous(); + case "pdbx_redundancy_anomalous": + return getPdbxRedundancyAnomalous(); + case "pdbx_CC_half_anomalous": + return getPdbxCCHalfAnomalous(); + case "pdbx_absDiff_over_sigma_anomalous": + return getPdbxAbsDiffOverSigmaAnomalous(); + case "pdbx_percent_possible_anomalous": + return getPdbxPercentPossibleAnomalous(); + case "pdbx_observed_signal_threshold": + return getPdbxObservedSignalThreshold(); + case "pdbx_signal_type": + return getPdbxSignalType(); + case "pdbx_signal_details": + return getPdbxSignalDetails(); + case "pdbx_signal_software_id": + return getPdbxSignalSoftwareId(); + case "pdbx_CC_split_method": + return getPdbxCCSplitMethod(); default: return new DelegatingColumn(column); } @@ -185,8 +261,8 @@ public StrColumn getDataReductionMethod() { } /** - * The smallest value for the interplanar spacings for - * the reflection data. This is called the highest resolution. + * The smallest value in angstroms for the interplanar spacings + * for the reflection data. This is called the highest resolution. * @return FloatColumn */ public FloatColumn getDResolutionHigh() { @@ -194,8 +270,8 @@ public FloatColumn getDResolutionHigh() { } /** - * The largest value for the interplanar spacings for the - * reflection data. This is called the lowest resolution. + * The largest value in angstroms for the interplanar spacings + * for the reflection data. This is called the lowest resolution. * @return FloatColumn */ public FloatColumn getDResolutionLow() { @@ -488,38 +564,13 @@ public StrColumn getThresholdExpression() { } /** - * Overall redundancy for this data set (%). + * Overall redundancy for this data set. * @return FloatColumn */ public FloatColumn getPdbxRedundancy() { return delegate.getColumn("pdbx_redundancy", DelegatingFloatColumn::new); } - /** - * The R value for merging intensities satisfying the observed - * criteria in this data set. - * @return FloatColumn - */ - public FloatColumn getPdbxRmergeIObs() { - return delegate.getColumn("pdbx_Rmerge_I_obs", DelegatingFloatColumn::new); - } - - /** - * The R value for merging all intensities in this data set. - * @return FloatColumn - */ - public FloatColumn getPdbxRmergeIAll() { - return delegate.getColumn("pdbx_Rmerge_I_all", DelegatingFloatColumn::new); - } - - /** - * The R sym value as a decimal number. - * @return FloatColumn - */ - public FloatColumn getPdbxRsymValue() { - return delegate.getColumn("pdbx_Rsym_value", DelegatingFloatColumn::new); - } - /** * The ratio of the average intensity to the average uncertainty, * <I>/<sigma(I)>. @@ -796,4 +847,482 @@ public FloatColumn getPdbxRmergeIAnomalous() { return delegate.getColumn("pdbx_Rmerge_I_anomalous", DelegatingFloatColumn::new); } + /** + * The R value for merging intensities satisfying the observed + * criteria in this data set. + * @return FloatColumn + */ + public FloatColumn getPdbxRmergeIObs() { + return delegate.getColumn("pdbx_Rmerge_I_obs", DelegatingFloatColumn::new); + } + + /** + * The R value for merging all intensities in this data set. + * @return FloatColumn + */ + public FloatColumn getPdbxRmergeIAll() { + return delegate.getColumn("pdbx_Rmerge_I_all", DelegatingFloatColumn::new); + } + + /** + * The R sym value as a decimal number. + * @return FloatColumn + */ + public FloatColumn getPdbxRsymValue() { + return delegate.getColumn("pdbx_Rsym_value", DelegatingFloatColumn::new); + } + + /** + * Principal axis 1 (X component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis1Ortho1() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_1_ortho[1]", DelegatingFloatColumn::new); + } + + /** + * Principal axis 1 (Y component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis1Ortho2() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_1_ortho[2]", DelegatingFloatColumn::new); + } + + /** + * Principal axis 1 (Z component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis1Ortho3() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_1_ortho[3]", DelegatingFloatColumn::new); + } + + /** + * Principal axis 2 (X component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis2Ortho1() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_2_ortho[1]", DelegatingFloatColumn::new); + } + + /** + * Principal axis 2 (Y component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis2Ortho2() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_2_ortho[2]", DelegatingFloatColumn::new); + } + + /** + * Principal axis 2 (Z component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis2Ortho3() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_2_ortho[3]", DelegatingFloatColumn::new); + } + + /** + * Principal axis 3 (X component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis3Ortho1() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_3_ortho[1]", DelegatingFloatColumn::new); + } + + /** + * Principal axis 3 (Y component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis3Ortho2() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_3_ortho[2]", DelegatingFloatColumn::new); + } + + /** + * Principal axis 3 (Z component) of ellipsoid fitted to the + * diffraction cut-off surface. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimitAxis3Ortho3() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_axis_3_ortho[3]", DelegatingFloatColumn::new); + } + + /** + * Anisotropic diffraction limit along principal axis 1 (of + * ellipsoid fitted to the diffraction cut-off surface). + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimit1() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_1", DelegatingFloatColumn::new); + } + + /** + * Anisotropic diffraction limit along principal axis 2 (of + * ellipsoid fitted to the diffraction cut-off surface) + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimit2() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_2", DelegatingFloatColumn::new); + } + + /** + * Anisotropic diffraction limit along principal axis 3 (of + * ellipsoid fitted to the diffraction cut-off surface) + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoDiffractionLimit3() { + return delegate.getColumn("pdbx_aniso_diffraction_limit_3", DelegatingFloatColumn::new); + } + + /** + * X component of the first eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector1Ortho1() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_1_ortho[1]", DelegatingFloatColumn::new); + } + + /** + * Y component of the first eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector1Ortho2() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_1_ortho[2]", DelegatingFloatColumn::new); + } + + /** + * Z component of the first eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector1Ortho3() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_1_ortho[3]", DelegatingFloatColumn::new); + } + + /** + * X component of the second eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector2Ortho1() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_2_ortho[1]", DelegatingFloatColumn::new); + } + + /** + * Y component of the second eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector2Ortho2() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_2_ortho[2]", DelegatingFloatColumn::new); + } + + /** + * Z component of the second eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector2Ortho3() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_2_ortho[3]", DelegatingFloatColumn::new); + } + + /** + * X component of the third eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector3Ortho1() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_3_ortho[1]", DelegatingFloatColumn::new); + } + + /** + * Y component of the third eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector3Ortho2() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_3_ortho[2]", DelegatingFloatColumn::new); + } + + /** + * Z component of the third eigenvector of the diffraction + * anisotropy tensor. The applicable orthogonalization + * convention is that specified by + * _reflns.pdbx_orthogonalization_convention. + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvector3Ortho3() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvector_3_ortho[3]", DelegatingFloatColumn::new); + } + + /** + * Eigen-B-factor along the first eigenvector of the + * diffraction anisotropy tensor + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvalue1() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvalue_1", DelegatingFloatColumn::new); + } + + /** + * Eigen-B-factor along the second eigenvector of the + * diffraction anisotropy tensor + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvalue2() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvalue_2", DelegatingFloatColumn::new); + } + + /** + * Eigen-B-factor along the third eigenvector of the + * diffraction anisotropy tensor + * @return FloatColumn + */ + public FloatColumn getPdbxAnisoBTensorEigenvalue3() { + return delegate.getColumn("pdbx_aniso_B_tensor_eigenvalue_3", DelegatingFloatColumn::new); + } + + /** + * Description of orthogonalization convention used. The + * notation can make use of unit cell axes "a", "b" and "c" + * and the reciprocal unit cell axes "astar", "bstar" and + * "cstar". Upper case letters "X", "Y" and "Z" denote the + * orthogonal axes, while lower case "x" stands for "cross + * product". + * @return StrColumn + */ + public StrColumn getPdbxOrthogonalizationConvention() { + return delegate.getColumn("pdbx_orthogonalization_convention", DelegatingStrColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique data + * within the intersection of (1) a sphere (defined by the + * diffraction limits, _reflns.d_resolution_high and + * _reflns.d_resolution_low) and (2) the ellipsoid + * (described by __reflns.pdbx_aniso_diffraction_limit_* + * items), relative to all possible symmetry-unique + * reflections within that intersection. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleEllipsoidal() { + return delegate.getColumn("pdbx_percent_possible_ellipsoidal", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique data + * within the sphere defined by the diffraction limits + * (_reflns.d_resolution_high and + * _reflns.d_resolution_low) relative to all possible + * symmetry-unique reflections within that sphere. + * + * In the absence of an anisotropy description this is + * identical to _reflns.percent_possible_obs. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleSpherical() { + return delegate.getColumn("pdbx_percent_possible_spherical", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique + * anomalous difference data within the intersection of + * (1) a sphere (defined by the diffraction limits, + * _reflns.d_resolution_high and _reflns.d_resolution_low) + * and (2) the ellipsoid (described by + * __reflns.pdbx_aniso_diffraction_limit_* items), + * relative to all possible symmetry-unique anomalous + * difference data within that intersection. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleEllipsoidalAnomalous() { + return delegate.getColumn("pdbx_percent_possible_ellipsoidal_anomalous", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique + * anomalous difference data within the sphere defined by + * the diffraction limits (_reflns.d_resolution_high and + * _reflns.d_resolution_low) relative to all possible + * symmetry-unique anomalous difference data within that + * sphere. + * + * In the absence of an anisotropy description this is + * identical to _reflns.pdbx_percent_possible_anomalous. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleSphericalAnomalous() { + return delegate.getColumn("pdbx_percent_possible_spherical_anomalous", DelegatingFloatColumn::new); + } + + /** + * The overall redundancy of anomalous difference data + * within the sphere defined by the diffraction limits + * (_reflns.d_resolution_high and + * _reflns.d_resolution_low), i.e. data for which + * intensities for both instances of a Friedel pair are + * available for an acentric reflection. + * @return FloatColumn + */ + public FloatColumn getPdbxRedundancyAnomalous() { + return delegate.getColumn("pdbx_redundancy_anomalous", DelegatingFloatColumn::new); + } + + /** + * The overall correlation coefficient between two randomly + * chosen half-sets of anomalous intensity differences, + * I(+)-I(-) for anomalous data within the sphere defined + * by the diffraction limits (_reflns.d_resolution_high and + * _reflns.d_resolution_low), i.e. data for which + * intensities for both instances of a Friedel pair are + * available for an acentric reflection. + * @return FloatColumn + */ + public FloatColumn getPdbxCCHalfAnomalous() { + return delegate.getColumn("pdbx_CC_half_anomalous", DelegatingFloatColumn::new); + } + + /** + * The overall mean ratio of absolute anomalous intensity + * differences to their standard deviation within the + * sphere defined by the diffraction limits + * (_reflns.d_resolution_high and + * _reflns.d_resolution_low) and using data for which + * intensities for both instances of a Friedel pair are + * available for an acentric reflection. + * + * |Dano| + * ------------- + * sigma(Dano) + * + * with + * + * Dano = I(+) - I(-) + * sigma(Dano) = sqrt( sigma(I(+))^2 + sigma(I(-))^2 ) + * @return FloatColumn + */ + public FloatColumn getPdbxAbsDiffOverSigmaAnomalous() { + return delegate.getColumn("pdbx_absDiff_over_sigma_anomalous", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique + * anomalous difference data within the sphere defined by + * the diffraction limits (_reflns.d_resolution_high and + * _reflns.d_resolution_low) relative to all possible + * symmetry-unique anomalous difference data within that + * sphere. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleAnomalous() { + return delegate.getColumn("pdbx_percent_possible_anomalous", DelegatingFloatColumn::new); + } + + /** + * The threshold value for _refln.pdbx_signal as used to + * define the status of an individual reflection according + * to the description in _refln.pdbx_signal_status. + * @return FloatColumn + */ + public FloatColumn getPdbxObservedSignalThreshold() { + return delegate.getColumn("pdbx_observed_signal_threshold", DelegatingFloatColumn::new); + } + + /** + * Type of signal used for + * _reflns.pdbx_observed_signal_threshold and _refln.pdbx_signal + * + * In the enumeration details: + * + * Imean is the inverse-variance weighted mean intensity of all + * measurements for a given symmetry-unique reflection + * + * Ihalf is the inverse-variance weighted mean intensity of a + * random half-selection of all measurements for a + * given symmetry-unique reflection + * @return StrColumn + */ + public StrColumn getPdbxSignalType() { + return delegate.getColumn("pdbx_signal_type", DelegatingStrColumn::new); + } + + /** + * Further details about the calculation of the values + * assigned to _refln.pdbx_signal + * @return StrColumn + */ + public StrColumn getPdbxSignalDetails() { + return delegate.getColumn("pdbx_signal_details", DelegatingStrColumn::new); + } + + /** + * The software used to calculate the values of _refln.pdbx_signal + * @return StrColumn + */ + public StrColumn getPdbxSignalSoftwareId() { + return delegate.getColumn("pdbx_signal_software_id", DelegatingStrColumn::new); + } + + /** + * Method for selecting half datasets used in computing Rsplit, + * CC1/2 and CCstar. + * + * The following enumerated values are used: + * + * by_observation: unmerged reflection intensities are randomly + * divided into two half-sets of nearly equal size. As recommended + * in Karplus PA, Diederichs K. Linking crystallographic model and + * data quality. Science. 2012;336(6084):1030-1033. + * + * by_lattice: often used in serial crystallography, crystals are + * pre-sorted into two half datasets of nearly equal size (such as + * by odd vs. even crystal number). + * @return StrColumn + */ + public StrColumn getPdbxCCSplitMethod() { + return delegate.getColumn("pdbx_CC_split_method", DelegatingStrColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/ReflnsShell.java b/src/main/java/org/rcsb/cif/schema/mm/ReflnsShell.java index 849485616..86c25b206 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/ReflnsShell.java +++ b/src/main/java/org/rcsb/cif/schema/mm/ReflnsShell.java @@ -37,18 +37,12 @@ protected Column createDelegate(String columnName, Column column) { return getNumberUniqueAll(); case "number_unique_obs": return getNumberUniqueObs(); - case "percent_possible_all": - return getPercentPossibleAll(); case "percent_possible_obs": return getPercentPossibleObs(); case "Rmerge_F_all": return getRmergeFAll(); case "Rmerge_F_obs": return getRmergeFObs(); - case "Rmerge_I_all": - return getRmergeIAll(); - case "Rmerge_I_obs": - return getRmergeIObs(); case "meanI_over_sigI_gt": return getMeanIOverSigIGt(); case "meanI_over_uI_all": @@ -67,8 +61,6 @@ protected Column createDelegate(String columnName, Column column) { return getRmergeIGt(); case "pdbx_redundancy": return getPdbxRedundancy(); - case "pdbx_Rsym_value": - return getPdbxRsymValue(); case "pdbx_chi_squared": return getPdbxChiSquared(); case "pdbx_netI_over_sigmaI_all": @@ -101,6 +93,30 @@ protected Column createDelegate(String columnName, Column column) { return getPdbxRpimIAllAnomalous(); case "pdbx_Rmerge_I_all_anomalous": return getPdbxRmergeIAllAnomalous(); + case "percent_possible_all": + return getPercentPossibleAll(); + case "Rmerge_I_all": + return getRmergeIAll(); + case "Rmerge_I_obs": + return getRmergeIObs(); + case "pdbx_Rsym_value": + return getPdbxRsymValue(); + case "pdbx_percent_possible_ellipsoidal": + return getPdbxPercentPossibleEllipsoidal(); + case "pdbx_percent_possible_spherical": + return getPdbxPercentPossibleSpherical(); + case "pdbx_percent_possible_ellipsoidal_anomalous": + return getPdbxPercentPossibleEllipsoidalAnomalous(); + case "pdbx_percent_possible_spherical_anomalous": + return getPdbxPercentPossibleSphericalAnomalous(); + case "pdbx_redundancy_anomalous": + return getPdbxRedundancyAnomalous(); + case "pdbx_CC_half_anomalous": + return getPdbxCCHalfAnomalous(); + case "pdbx_absDiff_over_sigma_anomalous": + return getPdbxAbsDiffOverSigmaAnomalous(); + case "pdbx_percent_possible_anomalous": + return getPdbxPercentPossibleAnomalous(); default: return new DelegatingColumn(column); } @@ -195,15 +211,6 @@ public IntColumn getNumberUniqueObs() { return delegate.getColumn("number_unique_obs", DelegatingIntColumn::new); } - /** - * The percentage of geometrically possible reflections represented - * by all reflections measured for this shell. - * @return FloatColumn - */ - public FloatColumn getPercentPossibleAll() { - return delegate.getColumn("percent_possible_all", DelegatingFloatColumn::new); - } - /** * The percentage of geometrically possible reflections represented * by reflections classified as 'observed' (see @@ -257,45 +264,6 @@ public FloatColumn getRmergeFObs() { return delegate.getColumn("Rmerge_F_obs", DelegatingFloatColumn::new); } - /** - * The value of Rmerge(I) for all reflections in a given shell. - * - * sum~i~(sum~j~|I~j~ - <I>|) - * Rmerge(I) = -------------------------- - * sum~i~(sum~j~<I>) - * - * I~j~ = the intensity of the jth observation of reflection i - * <I> = the mean of the intensities of all observations of - * reflection i - * - * sum~i~ is taken over all reflections - * sum~j~ is taken over all observations of each reflection - * @return FloatColumn - */ - public FloatColumn getRmergeIAll() { - return delegate.getColumn("Rmerge_I_all", DelegatingFloatColumn::new); - } - - /** - * The value of Rmerge(I) for reflections classified as 'observed' - * (see _reflns.observed_criterion) in a given shell. - * - * sum~i~(sum~j~|I~j~ - <I>|) - * Rmerge(I) = -------------------------- - * sum~i~(sum~j~<I>) - * - * I~j~ = the intensity of the jth observation of reflection i - * <I> = the mean of the intensities of all observations of - * reflection i - * - * sum~i~ is taken over all reflections - * sum~j~ is taken over all observations of each reflection - * @return FloatColumn - */ - public FloatColumn getRmergeIObs() { - return delegate.getColumn("Rmerge_I_obs", DelegatingFloatColumn::new); - } - /** * The ratio of the mean of the intensities of the significantly * intense reflections (see _reflns.threshold_expression) in @@ -410,14 +378,6 @@ public FloatColumn getPdbxRedundancy() { return delegate.getColumn("pdbx_redundancy", DelegatingFloatColumn::new); } - /** - * R sym value in percent. - * @return FloatColumn - */ - public FloatColumn getPdbxRsymValue() { - return delegate.getColumn("pdbx_Rsym_value", DelegatingFloatColumn::new); - } - /** * Chi-squared statistic for this resolution shell. * @return FloatColumn @@ -619,4 +579,185 @@ public FloatColumn getPdbxRmergeIAllAnomalous() { return delegate.getColumn("pdbx_Rmerge_I_all_anomalous", DelegatingFloatColumn::new); } + /** + * The percentage of geometrically possible reflections represented + * by all reflections measured for this shell. + * @return FloatColumn + */ + public FloatColumn getPercentPossibleAll() { + return delegate.getColumn("percent_possible_all", DelegatingFloatColumn::new); + } + + /** + * The value of Rmerge(I) for all reflections in a given shell. + * + * sum~i~(sum~j~|I~j~ - <I>|) + * Rmerge(I) = -------------------------- + * sum~i~(sum~j~<I>) + * + * I~j~ = the intensity of the jth observation of reflection i + * <I> = the mean of the intensities of all observations of + * reflection i + * + * sum~i~ is taken over all reflections + * sum~j~ is taken over all observations of each reflection + * @return FloatColumn + */ + public FloatColumn getRmergeIAll() { + return delegate.getColumn("Rmerge_I_all", DelegatingFloatColumn::new); + } + + /** + * The value of Rmerge(I) for reflections classified as 'observed' + * (see _reflns.observed_criterion) in a given shell. + * + * sum~i~(sum~j~|I~j~ - <I>|) + * Rmerge(I) = -------------------------- + * sum~i~(sum~j~<I>) + * + * I~j~ = the intensity of the jth observation of reflection i + * <I> = the mean of the intensities of all observations of + * reflection i + * + * sum~i~ is taken over all reflections + * sum~j~ is taken over all observations of each reflection + * @return FloatColumn + */ + public FloatColumn getRmergeIObs() { + return delegate.getColumn("Rmerge_I_obs", DelegatingFloatColumn::new); + } + + /** + * R sym value in percent. + * @return FloatColumn + */ + public FloatColumn getPdbxRsymValue() { + return delegate.getColumn("pdbx_Rsym_value", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique data + * within the intersection of (1) a spherical shell + * (defined by its diffraction limits, + * _reflns_shell.d_resolution_high and + * _reflns_shell.d_resolution_low) and (2) the ellipsoid + * (described by __reflns.pdbx_aniso_diffraction_limit_* + * items), relative to all possible symmetry-unique + * reflections within that intersection. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleEllipsoidal() { + return delegate.getColumn("pdbx_percent_possible_ellipsoidal", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique data + * within the spherical shell defined by its diffraction + * limits (_reflns_shell.d_resolution_high and + * _reflns_shell.d_resolution_low) relative to all + * possible symmetry-unique reflections within that shell. + * + * In the absence of an anisotropy description this is + * identical to _reflns_shell.percent_possible_all. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleSpherical() { + return delegate.getColumn("pdbx_percent_possible_spherical", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique + * anomalous difference data within the intersection of + * (1) a spherical shell (defined by its diffraction + * limits, _reflns_shell.d_resolution_high and + * _reflns_shell.d_resolution_low) and (2) the ellipsoid + * (described by __reflns.pdbx_aniso_diffraction_limit_* + * items), relative to all possible symmetry-unique + * anomalous difference data within that intersection. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleEllipsoidalAnomalous() { + return delegate.getColumn("pdbx_percent_possible_ellipsoidal_anomalous", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique + * anomalous difference data within the spherical shell + * defined by its diffraction limits + * (_reflns_shell.d_resolution_high and + * _reflns_shell.d_resolution_low) relative to all + * possible symmetry-unique anomalous difference data + * within that shell. + * + * In the absence of an anisotropy description this is + * identical to _reflns.pdbx_percent_possible_anomalous. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleSphericalAnomalous() { + return delegate.getColumn("pdbx_percent_possible_spherical_anomalous", DelegatingFloatColumn::new); + } + + /** + * The redundancy of anomalous difference data within the + * spherical shell (defined by its diffraction limits + * _reflns_shell.d_resolution_high and + * _reflns_shell.d_resolution_low), i.e. data for which + * intensities for both instances of a Friedel pair are + * available for an acentric reflection. + * @return FloatColumn + */ + public FloatColumn getPdbxRedundancyAnomalous() { + return delegate.getColumn("pdbx_redundancy_anomalous", DelegatingFloatColumn::new); + } + + /** + * The correlation coefficient within the spherical shell + * (defined by its diffraction limits + * _reflns_shell.d_resolution_high and + * _reflns_shell.d_resolution_low) between two randomly + * chosen half-sets of anomalous intensity differences, + * I(+)-I(-) for anomalous data, i.e. data for which + * intensities for both instances of a Friedel pair are + * available for an acentric reflection. + * @return FloatColumn + */ + public FloatColumn getPdbxCCHalfAnomalous() { + return delegate.getColumn("pdbx_CC_half_anomalous", DelegatingFloatColumn::new); + } + + /** + * The mean ratio of absolute anomalous intensity + * differences to their standard deviation within the + * spherical shell (defined by its diffraction limits + * _reflns_shell.d_resolution_high and + * _reflns_shell.d_resolution_low). + * + * |Dano| + * ------------- + * sigma(Dano) + * + * with + * + * Dano = I(+) - I(-) + * sigma(Dano) = sqrt( sigma(I(+))^2 + sigma(I(-))^2 ) + * @return FloatColumn + */ + public FloatColumn getPdbxAbsDiffOverSigmaAnomalous() { + return delegate.getColumn("pdbx_absDiff_over_sigma_anomalous", DelegatingFloatColumn::new); + } + + /** + * Completeness (as a percentage) of symmetry-unique + * anomalous difference data within the spherical shell + * defined by its diffraction limits + * (_reflns_shell.d_resolution_high and + * _reflns_shell.d_resolution_low) relative to all + * possible symmetry-unique anomalous difference data + * within that shell. + * @return FloatColumn + */ + public FloatColumn getPdbxPercentPossibleAnomalous() { + return delegate.getColumn("pdbx_percent_possible_anomalous", DelegatingFloatColumn::new); + } + } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/Software.java b/src/main/java/org/rcsb/cif/schema/mm/Software.java index 5be006159..16f767c72 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Software.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Software.java @@ -60,6 +60,8 @@ protected Column createDelegate(String columnName, Column column) { return getType(); case "version": return getVersion(); + case "pdbx_reference_DOI": + return getPdbxReferenceDOI(); case "pdbx_ordinal": return getPdbxOrdinal(); default: @@ -222,6 +224,15 @@ public StrColumn getVersion() { return delegate.getColumn("version", DelegatingStrColumn::new); } + /** + * Document Object Identifier used by doi.org to uniquely + * identify software being used. + * @return StrColumn + */ + public StrColumn getPdbxReferenceDOI() { + return delegate.getColumn("pdbx_reference_DOI", DelegatingStrColumn::new); + } + /** * An ordinal index for this category * @return IntColumn diff --git a/src/main/java/org/rcsb/cif/schema/mm/Struct.java b/src/main/java/org/rcsb/cif/schema/mm/Struct.java index 4d5456632..d109d42f7 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/Struct.java +++ b/src/main/java/org/rcsb/cif/schema/mm/Struct.java @@ -22,6 +22,14 @@ protected Column createDelegate(String columnName, Column column) { return getEntryId(); case "title": return getTitle(); + case "pdbx_center_of_mass_x": + return getPdbxCenterOfMassX(); + case "pdbx_center_of_mass_y": + return getPdbxCenterOfMassY(); + case "pdbx_center_of_mass_z": + return getPdbxCenterOfMassZ(); + case "pdbx_structure_determination_methodology": + return getPdbxStructureDeterminationMethodology(); case "pdbx_descriptor": return getPdbxDescriptor(); case "pdbx_model_details": @@ -61,6 +69,38 @@ public StrColumn getTitle() { return delegate.getColumn("title", DelegatingStrColumn::new); } + /** + * This data item is the X component of a calculation of the center of mass of polymer chains + * @return FloatColumn + */ + public FloatColumn getPdbxCenterOfMassX() { + return delegate.getColumn("pdbx_center_of_mass_x", DelegatingFloatColumn::new); + } + + /** + * This data item is the Y component of a calculation of the center of mass of polymer chains + * @return FloatColumn + */ + public FloatColumn getPdbxCenterOfMassY() { + return delegate.getColumn("pdbx_center_of_mass_y", DelegatingFloatColumn::new); + } + + /** + * This data item is the Z component of a calculation of the center of mass of polymer chains + * @return FloatColumn + */ + public FloatColumn getPdbxCenterOfMassZ() { + return delegate.getColumn("pdbx_center_of_mass_z", DelegatingFloatColumn::new); + } + + /** + * Indicates if the structure was determined using experimental, computational, or integrative methods + * @return StrColumn + */ + public StrColumn getPdbxStructureDeterminationMethodology() { + return delegate.getColumn("pdbx_structure_determination_methodology", DelegatingStrColumn::new); + } + /** * An automatically generated descriptor for an NDB structure or * the unstructured content of the PDB COMPND record. diff --git a/src/main/java/org/rcsb/cif/schema/mm/StructNcsEnsGen.java b/src/main/java/org/rcsb/cif/schema/mm/StructNcsEnsGen.java index 66cc8dc2a..6d4868f96 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/StructNcsEnsGen.java +++ b/src/main/java/org/rcsb/cif/schema/mm/StructNcsEnsGen.java @@ -68,10 +68,10 @@ public StrColumn getEnsId() { /** * This data item is a pointer to _struct_ncs_oper.id in the * STRUCT_NCS_OPER category. - * @return StrColumn + * @return IntColumn */ - public StrColumn getOperId() { - return delegate.getColumn("oper_id", DelegatingStrColumn::new); + public IntColumn getOperId() { + return delegate.getColumn("oper_id", DelegatingIntColumn::new); } } \ No newline at end of file diff --git a/src/main/java/org/rcsb/cif/schema/mm/StructNcsOper.java b/src/main/java/org/rcsb/cif/schema/mm/StructNcsOper.java index 0452f4880..10efb4477 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/StructNcsOper.java +++ b/src/main/java/org/rcsb/cif/schema/mm/StructNcsOper.java @@ -83,12 +83,11 @@ public StrColumn getDetails() { * The value of _struct_ncs_oper.id must uniquely identify a * record in the STRUCT_NCS_OPER list. * - * Note that this item need not be a number; it can be any unique - * identifier. - * @return StrColumn + * Note that for PDB _struct_ncs_oper.id must be a number. + * @return IntColumn */ - public StrColumn getId() { - return delegate.getColumn("id", DelegatingStrColumn::new); + public IntColumn getId() { + return delegate.getColumn("id", DelegatingIntColumn::new); } /** diff --git a/src/main/java/org/rcsb/cif/schema/mm/StructRefSeqDif.java b/src/main/java/org/rcsb/cif/schema/mm/StructRefSeqDif.java index 662d977c7..5115df335 100644 --- a/src/main/java/org/rcsb/cif/schema/mm/StructRefSeqDif.java +++ b/src/main/java/org/rcsb/cif/schema/mm/StructRefSeqDif.java @@ -129,7 +129,7 @@ public StrColumn getPdbxPdbInsCode() { } /** - * Insertion code in PDB sequence + * The PDB sequence residue number. * @return StrColumn */ public StrColumn getPdbxAuthSeqNum() { diff --git a/src/main/java/org/rcsb/cif/text/TextCifReader.java b/src/main/java/org/rcsb/cif/text/TextCifReader.java index b2cb54c2a..80da22964 100644 --- a/src/main/java/org/rcsb/cif/text/TextCifReader.java +++ b/src/main/java/org/rcsb/cif/text/TextCifReader.java @@ -51,7 +51,7 @@ public TextFile readText(String data) throws ParsingException { if (tokenizer.inSaveFrame) { throw new ParsingException("Unexpected data block inside a save frame.", tokenizer.getLineNumber()); } - if (blockCtx.getCategories().size() > 0) { + if (!blockCtx.getCategories().isEmpty()) { Block block = new TextBlock(blockCtx.getCategories(), blockHeader); dataBlocks.add(block); block.getSaveFrames().addAll(saveFrames); @@ -64,7 +64,7 @@ public TextFile readText(String data) throws ParsingException { } else if (tokenizer.getTokenType() == CifTokenType.SAVE) { final String saveHeader = tokenizer.getData().substring(tokenizer.getTokenStart() + 5, tokenizer.getTokenEnd()); if (saveHeader.isEmpty()) { - if (saveCtx.getCategories().size() > 0) { + if (!saveCtx.getCategories().isEmpty()) { saveFrames.add(saveFrame); } tokenizer.inSaveFrame = false; @@ -95,7 +95,7 @@ public TextFile readText(String data) throws ParsingException { throw new ParsingException("Unfinished save frame (" + saveFrame.getBlockHeader() + ").", tokenizer.getLineNumber()); } - if (blockCtx.getCategories().size() > 0 || saveFrames.size() > 0) { + if (!blockCtx.getCategories().isEmpty() || !saveFrames.isEmpty()) { Block block = new TextBlock(blockCtx.getCategories(), blockHeader); dataBlocks.add(block); block.getSaveFrames().addAll(saveFrames); diff --git a/src/main/java/org/rcsb/cif/text/TextCifWriter.java b/src/main/java/org/rcsb/cif/text/TextCifWriter.java index b3346fbb9..39aadfe53 100644 --- a/src/main/java/org/rcsb/cif/text/TextCifWriter.java +++ b/src/main/java/org/rcsb/cif/text/TextCifWriter.java @@ -11,7 +11,9 @@ import java.nio.charset.StandardCharsets; import java.text.DecimalFormat; +import java.text.DecimalFormatSymbols; import java.util.List; +import java.util.Locale; import java.util.NoSuchElementException; import java.util.stream.Collectors; import java.util.stream.IntStream; @@ -136,9 +138,10 @@ private boolean writeValue(StringBuilder output, Column column, int row) { return false; } - private static final DecimalFormat FLOAT_2 = new DecimalFormat("0.00"); - private static final DecimalFormat FLOAT_3 = new DecimalFormat("0.000"); - private static final DecimalFormat FLOAT_6 = new DecimalFormat("0.######"); + private static final DecimalFormatSymbols SYMBOLS = new DecimalFormatSymbols(Locale.US); + private static final DecimalFormat FLOAT_2 = new DecimalFormat("0.00", SYMBOLS); + private static final DecimalFormat FLOAT_3 = new DecimalFormat("0.000", SYMBOLS); + private static final DecimalFormat FLOAT_6 = new DecimalFormat("0.######", SYMBOLS); /** * Some columns (i.e. CartnX, CartnY, CartnZ, and Occupancy demand for more fine-grained over the values they report. * @param val the double value diff --git a/src/main/java/org/rcsb/cif/text/TokenizerState.java b/src/main/java/org/rcsb/cif/text/TokenizerState.java index 484c5525d..8b42d209a 100644 --- a/src/main/java/org/rcsb/cif/text/TokenizerState.java +++ b/src/main/java/org/rcsb/cif/text/TokenizerState.java @@ -336,14 +336,14 @@ private void moveNextInternal() { tokenStart = position; tokenEnd = position; isEscaped = false; - int c = data.charAt(position); + char c = data.charAt(position); switch (c) { case '#': skipCommentLine(); tokenType = CifTokenType.COMMENT; break; case '"': case '\'': - if (isTripleQuoteAtPosition()) { + if (c == '\'' && isTripleQuoteAtPosition()) { eatTripleQuote(); tokenType = CifTokenType.VALUE; break; diff --git a/src/main/resources/templates/BlockBuilder.tpl b/src/main/resources/templates/BlockBuilder.tpl index 3be0b1937..94533ddb5 100644 --- a/src/main/resources/templates/BlockBuilder.tpl +++ b/src/main/resources/templates/BlockBuilder.tpl @@ -1,4 +1,4 @@ -package {packageName}; +package org.rcsb.cif.schema.{packageName}; import org.rcsb.cif.model.builder.BlockBuilderImpl; diff --git a/src/main/resources/templates/BlockBuilderFlat.tpl b/src/main/resources/templates/BlockBuilderFlat.tpl index 96c7deece..1871b2651 100644 --- a/src/main/resources/templates/BlockBuilderFlat.tpl +++ b/src/main/resources/templates/BlockBuilderFlat.tpl @@ -1,4 +1,4 @@ -package {packageName}; +package org.rcsb.cif.schema.{packageName}; import org.rcsb.cif.model.*; import org.rcsb.cif.model.builder.BlockBuilderImpl; diff --git a/src/main/resources/templates/File.tpl b/src/main/resources/templates/File.tpl new file mode 100644 index 000000000..d15c1dd74 --- /dev/null +++ b/src/main/resources/templates/File.tpl @@ -0,0 +1,19 @@ +package org.rcsb.cif.schema.{packageName}; + +import org.rcsb.cif.model.Block; +import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.schema.DelegatingCifFile; + +import javax.annotation.Generated; + +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class {schemaName}File extends DelegatingCifFile<{schemaName}Block> { + public {schemaName}File(CifFile delegate) { + super(delegate); + } + + @Override + protected {schemaName}Block getTypedBlock(Block block) { + return new {schemaName}Block(block); + } +} diff --git a/src/main/resources/templates/FileBuilder.tpl b/src/main/resources/templates/FileBuilder.tpl new file mode 100644 index 000000000..852ff50ef --- /dev/null +++ b/src/main/resources/templates/FileBuilder.tpl @@ -0,0 +1,24 @@ +package org.rcsb.cif.schema.{packageName}; + +import org.rcsb.cif.model.builder.CifFileBuilderImpl; +import org.rcsb.cif.schema.StandardSchemata; + +import javax.annotation.Generated; + +@Generated("org.rcsb.cif.schema.generator.SchemaGenerator") +public class {schemaName}FileBuilder extends CifFileBuilderImpl { + @Override + public {schemaName}BlockBuilder enterBlock(String blockHeader) { + return new {schemaName}BlockBuilder(blockHeader, this); + } + + @Override + public {schemaName}File leaveFile() { + return build(); + } + + @Override + public {schemaName}File build() { + return super.build().as(StandardSchemata.{schemaEnum}); + } +} diff --git a/src/test/java/org/rcsb/cif/CaseSensitivityTest.java b/src/test/java/org/rcsb/cif/CaseSensitivityTest.java index aea47653f..cbd730061 100644 --- a/src/test/java/org/rcsb/cif/CaseSensitivityTest.java +++ b/src/test/java/org/rcsb/cif/CaseSensitivityTest.java @@ -1,6 +1,6 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.model.Block; import org.rcsb.cif.model.Category; import org.rcsb.cif.model.CifFile; @@ -11,15 +11,15 @@ import java.io.InputStream; import java.util.stream.IntStream; -import static junit.framework.TestCase.fail; +import static org.junit.jupiter.api.Assertions.fail; /** * CIF specification states that case does not matter. This test defines the behavior of the implementation: case should * not matter during category/column retrieval but it should be honored during file writing. */ -public class CaseSensitivityTest { +class CaseSensitivityTest { @Test - public void shouldIgnoreReadCaseForBinaryFiles() throws IOException { + void shouldIgnoreReadCaseForBinaryFiles() throws IOException { InputStream inputStream = TestHelper.getInputStream("bcif/1acj.bcif"); CifFile cifFile = CifIO.readFromInputStream(inputStream); @@ -27,7 +27,7 @@ public void shouldIgnoreReadCaseForBinaryFiles() throws IOException { } @Test - public void shouldIgnoreReadCaseForTextFiles() throws IOException { + void shouldIgnoreReadCaseForTextFiles() throws IOException { InputStream inputStream = TestHelper.getInputStream("bcif/1acj.bcif"); CifFile cifFile = CifIO.readFromInputStream(inputStream); @@ -97,7 +97,7 @@ private void assertCategoryEquals(String msg, Category expected, Category actual } @Test - public void shouldPropagateCaseForBinaryFiles() throws IOException { + void shouldPropagateCaseForBinaryFiles() throws IOException { CifFile cifFile = CifBuilder.enterFile() .enterBlock("TEST") .enterCategory("ATOM_SITE") @@ -116,7 +116,7 @@ public void shouldPropagateCaseForBinaryFiles() throws IOException { } @Test - public void shouldPropagateCaseForTextFiles() throws IOException { + void shouldPropagateCaseForTextFiles() throws IOException { CifFile cifFile = CifBuilder.enterFile() .enterBlock("TEST") .enterCategory("ATOM_SITE") @@ -135,7 +135,7 @@ public void shouldPropagateCaseForTextFiles() throws IOException { } @Test - public void shouldReadTamperedFileCaseInsensitively() throws IOException { + void shouldReadTamperedFileCaseInsensitively() throws IOException { InputStream inputStream = TestHelper.getInputStream("cif/1acj-cases.cif"); CifFile cifFile = CifIO.readFromInputStream(inputStream); diff --git a/src/test/java/org/rcsb/cif/CifOptionsTest.java b/src/test/java/org/rcsb/cif/CifOptionsTest.java index 1af7ce7d1..a3aacab44 100644 --- a/src/test/java/org/rcsb/cif/CifOptionsTest.java +++ b/src/test/java/org/rcsb/cif/CifOptionsTest.java @@ -1,6 +1,6 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.binary.codec.MessagePackCodec; import org.rcsb.cif.model.CifFile; import org.rcsb.cif.model.binary.BinaryFile; @@ -14,12 +14,12 @@ import java.util.Map; import java.util.zip.GZIPInputStream; -import static org.junit.Assert.*; +import static org.junit.jupiter.api.Assertions.*; import static org.rcsb.cif.TestHelper.TEST_CASES; -public class CifOptionsTest { +class CifOptionsTest { @Test - public void testEncodingBehavior() throws IOException { + void testEncodingBehavior() throws IOException { MmCifFile textCifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/1acj.cif")).as(StandardSchemata.MMCIF); byte[] binary1 = CifIO.writeBinary(textCifFile, CifOptions.builder() @@ -64,7 +64,7 @@ public void testEncodingBehavior() throws IOException { } @Test - public void testEncoder() throws IOException { + void testEncoder() throws IOException { // the encoder name should be honored when specified String encoderName = "yet-another-cif-encoder"; CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("bcif/1acj.bcif")); @@ -77,23 +77,23 @@ public void testEncoder() throws IOException { } @Test - public void testFetchUrlText() throws IOException { + void testFetchUrlText() throws IOException { // by switching to RCSB cif files, the implementation type should be text CifFile cifFile = CifIO.readById("1acj", CifOptions.builder() .fetchUrl("https://files.rcsb.org/download/%s.cif").build()); - assertTrue(cifFile instanceof TextFile); + assertInstanceOf(TextFile.class, cifFile); } @Test - public void testFetchUrlBinary() throws IOException { + void testFetchUrlBinary() throws IOException { // by switching to RCSB bcif files, the implementation type should be binary CifFile cifFile = CifIO.readById("1acj", CifOptions.builder() .fetchUrl("https://models.rcsb.org/%s.bcif").build()); - assertTrue(cifFile instanceof BinaryFile); + assertInstanceOf(BinaryFile.class, cifFile); } @Test - public void testFilteringBehavior() throws IOException { + void testFilteringBehavior() throws IOException { for (String id : TEST_CASES.keySet()) { testFilteringBehavior(id); } @@ -159,7 +159,7 @@ private void testFilteringBehavior(String testCase) throws IOException { } @Test - public void testGzipWritingBehavior() throws IOException { + void testGzipWritingBehavior() throws IOException { // should wrap output in gzip if requested for (String id : TEST_CASES.keySet()) { testGzipWritingBehavior(id); diff --git a/src/test/java/org/rcsb/cif/DemoTest.java b/src/test/java/org/rcsb/cif/DemoTest.java index 0500d41f0..84aef39b5 100644 --- a/src/test/java/org/rcsb/cif/DemoTest.java +++ b/src/test/java/org/rcsb/cif/DemoTest.java @@ -1,15 +1,15 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; import java.io.IOException; /** * Ensure that the provided Demo is actually running. */ -public class DemoTest { +class DemoTest { @Test - public void testDemo() throws IOException { + void testDemo() throws IOException { Demo.main(new String[0]); } } diff --git a/src/test/java/org/rcsb/cif/FootprintTest.java b/src/test/java/org/rcsb/cif/FootprintTest.java index d5408de78..98ab7755a 100644 --- a/src/test/java/org/rcsb/cif/FootprintTest.java +++ b/src/test/java/org/rcsb/cif/FootprintTest.java @@ -1,32 +1,38 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.binary.codec.MessagePackCodec; +import org.rcsb.cif.model.CifFile; import java.io.ByteArrayInputStream; import java.io.IOException; import java.util.LinkedHashMap; +import java.util.List; import java.util.Map; import java.util.stream.Collectors; import java.util.stream.Stream; -import static org.junit.Assert.*; +import static org.junit.jupiter.api.Assertions.fail; -public class FootprintTest { +class FootprintTest { @Test - public void printFootprint() throws IOException { - byte[] bytes = CifIO.writeBinary(CifIO.readFromInputStream(TestHelper.getInputStream("source/200l_rcsb.cif"))); + void printFootprint() throws IOException { + CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("source/200l_rcsb.cif")); + byte[] bytes = CifIO.writeBinary(cifFile); Map writtenFootprint = getFootprint(bytes); Map ebiFootprint = getFootprint(TestHelper.getBytes("source/200l_ebi.bcif")); - Map molstarFootprint = getFootprint(TestHelper.getBytes("source/200l_molstar.bcif")); - - equals(ebiFootprint, writtenFootprint); - equals(molstarFootprint, writtenFootprint); + equals(ebiFootprint, writtenFootprint, 1); + Map modelserverFootprint = getFootprint(TestHelper.getBytes("source/200l_modelserver.bcif")); + // some mismatches are in chem_comp, the ModelServer file doesn't contain CYS - leading to all counts being off by 1 + equals(modelserverFootprint, writtenFootprint, 21); + Map cif2bcifFootprint = getFootprint(TestHelper.getBytes("source/200l_cif2bcif.bcif")); + equals(cif2bcifFootprint, writtenFootprint, 0); } @SuppressWarnings("unchecked") private Map getFootprint(byte[] content) throws IOException { + int nonStringArray = 0; Map footprint = new LinkedHashMap<>(); Object[] file = (Object[]) MessagePackCodec.decode(new ByteArrayInputStream(content)).get("dataBlocks"); Map firstBlock = (Map) file[0]; @@ -35,7 +41,11 @@ private Map getFootprint(byte[] content) throws IOException { Map category = (Map) cat; String categoryName = (String) category.get("name"); // coordinate server categories are not present - if (categoryName.startsWith("_coordinate") || categoryName.equals("_chem_comp_bond")) { + if (categoryName.startsWith("_coordinate") || categoryName.equals("_chem_comp_bond") || + categoryName.equals("_pdbx_sifts_unp_segments") || categoryName.equals("_pdbx_sifts_xref_db_segments") || + categoryName.equals("_pdbx_sifts_xref_db") || categoryName.equals("_software") || + categoryName.equals("_model_server_result") || categoryName.equals("_model_server_stats") || + categoryName.equals("_audit_author")) { continue; } @@ -46,21 +56,34 @@ private Map getFootprint(byte[] content) throws IOException { String key = categoryName + "." + columnName; // some column are not present if (key.equals("_struct_sheet_range.symmetry") || key.equals("_symmetry.space_group_name_Hall") || - key.equals("_atom_site.pdbe_label_seq_id")) { + key.equals("_atom_site.pdbe_label_seq_id") || key.equals("_atom_site.pdbx_label_index") || + key.equals("_atom_site.pdbx_sifts_xref_db_name") || key.equals("_atom_site.pdbx_sifts_xref_db_acc") || + key.equals("_atom_site.pdbx_sifts_xref_db_num") || key.equals("_atom_site.pdbx_sifts_xref_db_res") || + key.equals("_struct_conf.beg_label_entity_id") || key.equals("_struct_conf.end_label_entity_id") || + key.equals("_struct_sheet_range.beg_label_entity_id") || key.equals("_struct_sheet_range.end_label_entity_id")) { continue; } Map data = (Map) column.get("data"); Object[] enc = (Object[]) data.get("encoding"); - String value = category.get("rowCount") + "," + enc.length + "," + Stream.of(enc).map(e -> ((Map) e).get("kind")).collect(Collectors.toList()); + List chain = Stream.of(enc).map(e -> ((Map) e).get("kind")).map(String.class::cast).collect(Collectors.toList()); + // seems like a bug in ModelServer: last ByteArray step occurs twice + if (chain.size() > 1 && chain.get(chain.size() - 2).equals("ByteArray") && chain.get(chain.size() - 1).equals("ByteArray")) { + chain.remove(chain.size() - 1); + } + if (!chain.contains("StringArray")) nonStringArray++; + String value = category.get("rowCount") + "," + chain.size() + "," + chain; footprint.put(key, value); } } + + if (nonStringArray == 0) fail("exclusive usage of StringArray encoding - more efficient encoding should get picked where possible"); return footprint; } - private void equals(Map expected, Map actual) { + private void equals(Map expected, Map actual, int tolerance) { + int mismatches = 0; for (String key : expected.keySet()) { if (!actual.containsKey(key)) { fail("key " + key + " not present"); @@ -68,7 +91,11 @@ private void equals(Map expected, Map actual) { if (!expected.get(key).equals(actual.get(key))) { System.out.println("mismatch in column " + key + "\n" + expected.get(key) + " vs " + actual.get(key)); + mismatches++; } } + if (mismatches > tolerance) { + fail(mismatches + " columns were encoded with wrong type, expected = " + tolerance); + } } } diff --git a/src/test/java/org/rcsb/cif/IntegrationTest.java b/src/test/java/org/rcsb/cif/IntegrationTest.java index 2a99152f6..082889fb9 100644 --- a/src/test/java/org/rcsb/cif/IntegrationTest.java +++ b/src/test/java/org/rcsb/cif/IntegrationTest.java @@ -1,6 +1,6 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.model.Category; import org.rcsb.cif.model.CifFile; import org.rcsb.cif.model.Column; @@ -21,18 +21,18 @@ import java.lang.reflect.Array; import java.nio.charset.StandardCharsets; -import static org.junit.Assert.*; +import static org.junit.jupiter.api.Assertions.*; import static org.rcsb.cif.TestHelper.TEST_CASES; -import static org.rcsb.cif.TestHelper.assertEqualsIgnoringWhitespaces; +import static org.rcsb.cif.TestHelper.assertEqualsIgnoringQuotesAndDecimalZeros; /** * More complex tests for interactions between various parts of the code. Especially round-trip are used to assess the * fidelity of the implementation. For a Cif file encoding and subsequent decoding should arrive at the original file * content. For Bcif decoding and encoding should do the same. */ -public class IntegrationTest { +class IntegrationTest { @Test - public void testBinaryDataAccessBehavior() throws IOException { + void testBinaryDataAccessBehavior() throws IOException { // load binary data - access is basically directly to array MmCifFile binaryCifFile = CifIO.readFromInputStream(TestHelper.getInputStream("bcif/1acj.bcif")).as(StandardSchemata.MMCIF); AtomSite binaryAtomSite = binaryCifFile.getFirstBlock().getAtomSite(); @@ -93,21 +93,21 @@ public void testBinaryDataAccessBehavior() throws IOException { } @Test - public void testDelegationBehavior() throws IOException { + void testDelegationBehavior() throws IOException { // blocks and categories should report typed categories and columns respectively MmCifFile textCifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/1acj.cif")).as(StandardSchemata.MMCIF); textCifFile.getFirstBlock() .categories() - .forEach(category -> assertTrue("no delegation for text after schema was imposed for " + category.getCategoryName(), category instanceof DelegatingCategory)); + .forEach(category -> assertInstanceOf(DelegatingCategory.class, category, "no delegation for text after schema was imposed for " + category.getCategoryName())); MmCifFile binaryCifFile = CifIO.readFromInputStream(TestHelper.getInputStream("bcif/1acj.bcif")).as(StandardSchemata.MMCIF); binaryCifFile.getFirstBlock() .categories() - .forEach(category -> assertTrue("no delegation for binary after schema was imposed for " + category.getCategoryName(), category instanceof DelegatingCategory)); + .forEach(category -> assertInstanceOf(DelegatingCategory.class, category, "no delegation for binary after schema was imposed for " + category.getCategoryName())); } @Test - public void testBehaviorForEmptyFiles() throws IOException { + void testBehaviorForEmptyFiles() throws IOException { CifFile cifFile = CifBuilder.enterFile() .enterBlock("test") .enterCategory("atom_site") @@ -121,7 +121,7 @@ public void testBehaviorForEmptyFiles() throws IOException { } @Test - public void testVectorAndMatrixBehavior() throws IOException { + void testVectorAndMatrixBehavior() throws IOException { CifFile textCifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/1acj.cif")); testVectorAndMatrixBehavior(textCifFile); @@ -166,7 +166,7 @@ private void assertDefined(Column column) { } @Test - public void testUndefinedColumnBehavior() throws IOException { + void testUndefinedColumnBehavior() throws IOException { CifFile textCifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/0red.cif")); testUndefinedColumnBehavior(textCifFile); @@ -176,7 +176,7 @@ public void testUndefinedColumnBehavior() throws IOException { private void testUndefinedColumnBehavior(CifFile cifFile) { MmCifBlock block = cifFile.as(StandardSchemata.MMCIF).getFirstBlock(); - assertNotNull("header is corrupted", block.getBlockHeader()); + assertNotNull(block.getBlockHeader(), "header is corrupted"); assertTrue(block.getEntry().isDefined()); @@ -201,7 +201,7 @@ private void testUndefinedColumnBehavior(CifFile cifFile) { } @Test - public void testUnknownFeatureText() throws IOException { + void testUnknownFeatureText() throws IOException { // read from cif InputStream inputStream = TestHelper.getInputStream("cif/1acj.cif"); MmCifFile text = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF); @@ -215,7 +215,7 @@ public void testUnknownFeatureText() throws IOException { } @Test - public void testNotPresentFeatureText() throws IOException { + void testNotPresentFeatureText() throws IOException { // read from cif InputStream inputStream = TestHelper.getInputStream("cif/1acj.cif"); MmCifFile text = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF); @@ -227,7 +227,7 @@ public void testNotPresentFeatureText() throws IOException { } @Test - public void testUnknownFeatureBinary() throws IOException { + void testUnknownFeatureBinary() throws IOException { // read from cif InputStream inputStream = TestHelper.getInputStream("bcif/1acj.bcif"); MmCifFile text = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF); @@ -241,7 +241,7 @@ public void testUnknownFeatureBinary() throws IOException { } @Test - public void testNotPresentFeatureBinary() throws IOException { + void testNotPresentFeatureBinary() throws IOException { // read from cif InputStream inputStream = TestHelper.getInputStream("bcif/1acj.bcif"); MmCifFile text = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF); @@ -253,7 +253,7 @@ public void testNotPresentFeatureBinary() throws IOException { } @Test - public void roundTripViaBinary() throws IOException { + void roundTripViaBinary() throws IOException { // load cif file, encode as bcif, write as cif again - should roughly match original (number formatting will change) for (String id : TEST_CASES.keySet()) { roundTripViaBinary(id); @@ -271,11 +271,11 @@ private void roundTripViaBinary(String testCase) throws IOException { byte[] copyBytes = CifIO.writeText(bcifFile); String copyContent = new String(copyBytes); - assertEqualsIgnoringWhitespaces(originalContent, copyContent); + assertEqualsIgnoringQuotesAndDecimalZeros(originalContent, copyContent); } @Test - public void readCifWriteBcif() throws IOException { + void readCifWriteBcif() throws IOException { for (String id : TEST_CASES.keySet()) { readCifWriteBcif(id); } @@ -288,12 +288,12 @@ private void readCifWriteBcif(String testCase) throws IOException { byte[] output = CifIO.writeBinary(originalFile); assertEquals(new String(original, StandardCharsets.UTF_8), new String(output, StandardCharsets.UTF_8)); - assertArrayEquals("binary write output does not match snapshot of output for " + testCase + - " - did the implementation change? if so, update snapshot files in bcif/ciftools/", original, output); + assertArrayEquals(original, output, "binary write output does not match snapshot of output for " + testCase + + " - did the implementation change? if so, update snapshot files in bcif/ciftools/"); } @Test - public void readBcifWriteCif() throws IOException { + void readBcifWriteCif() throws IOException { for (String id : TEST_CASES.keySet()) { readBcifWriteCif(id); } @@ -305,6 +305,40 @@ private void readBcifWriteCif(String testCase) throws IOException { String copyContent = new String(CifIO.writeText(originalFile)); - assertEqualsIgnoringWhitespaces(originalContent, copyContent); + assertEqualsIgnoringQuotesAndDecimalZeros(originalContent, copyContent); + } + + /** + * BinaryCIF might slightly violate the schema and lead to a ClassCastException if not handled. + */ + @Test + void readRcsbAndEbiGeneric() throws IOException { + CifFile rcsb = CifIO.readFromInputStream(TestHelper.getInputStream("bcif/1acj.bcif")); + Column rcsbNdbSeqNum = rcsb.getBlocks().get(0) + .getCategory("pdbx_nonpoly_scheme") + .getColumn("ndb_seq_num"); + assertEquals(83, rcsbNdbSeqNum.getRowCount()); + + CifFile ebi = CifIO.readFromInputStream(TestHelper.getInputStream("ebi/1acj.bcif")); + Column ebiNdbSeqNum = ebi.getBlocks().get(0) + .getCategory("pdbx_nonpoly_scheme") + .getColumn("ndb_seq_num"); + assertEquals(83, ebiNdbSeqNum.getRowCount()); + } + + @Test + void readRcsbAndEbiWithSchema() throws IOException { + MmCifFile rcsb = CifIO.readFromInputStream(TestHelper.getInputStream("bcif/1acj.bcif")).as(StandardSchemata.MMCIF); + StrColumn rcsbNdbSeqNum = rcsb.getFirstBlock() + .getPdbxNonpolyScheme() + .getNdbSeqNum(); + assertEquals(83, rcsbNdbSeqNum.getRowCount()); + + MmCifFile ebi = CifIO.readFromInputStream(TestHelper.getInputStream("ebi/1acj.bcif")) + .as(StandardSchemata.MMCIF); + StrColumn ebiNdbSeqNum = ebi.getFirstBlock() + .getPdbxNonpolyScheme() + .getNdbSeqNum(); + assertEquals(83, ebiNdbSeqNum.getRowCount()); } } diff --git a/src/test/java/org/rcsb/cif/NonMmcifFormatTest.java b/src/test/java/org/rcsb/cif/NonMmcifFormatTest.java index 7dcf847f2..4fe8039eb 100644 --- a/src/test/java/org/rcsb/cif/NonMmcifFormatTest.java +++ b/src/test/java/org/rcsb/cif/NonMmcifFormatTest.java @@ -1,6 +1,6 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.model.CifFile; import org.rcsb.cif.model.FloatColumn; import org.rcsb.cif.schema.StandardSchemata; @@ -12,11 +12,11 @@ import java.io.IOException; -import static junit.framework.TestCase.*; +import static org.junit.jupiter.api.Assertions.*; -public class NonMmcifFormatTest { +class NonMmcifFormatTest { @Test - public void shouldHandleLigandCif() throws IOException { + void shouldHandleLigandCif() throws IOException { // read CIF describing ligand CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/atp.cif")); MmCifBlock firstBlock = cifFile.as(StandardSchemata.MMCIF).getFirstBlock(); @@ -33,7 +33,7 @@ public void shouldHandleLigandCif() throws IOException { } @Test - public void shouldHandleCcdcFile() throws IOException { + void shouldHandleCcdcFile() throws IOException { // read CIF describing ligand CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/867861-core.cif")); CifCoreBlock firstBlock = cifFile.as(StandardSchemata.CIF_CORE).getFirstBlock(); @@ -50,7 +50,7 @@ public void shouldHandleCcdcFile() throws IOException { assertEquals("10.1002/chem.201202070", firstBlock.getColumn("citation_doi").getStringData(0)); assertEquals("10.1002/chem.201202070", firstBlock.getCitation().getDoi().get(0)); assertEquals("2012", firstBlock.getColumn("citation_year").getStringData(0)); - assertEquals("2012", firstBlock.getCitation().getYear().get(0)); + assertEquals(2012, firstBlock.getCitation().getYear().get(0)); // a 'number' assertEquals("11.0829(8)", firstBlock.getColumn("cell_length_a").getStringData(0)); @@ -70,7 +70,7 @@ public void shouldHandleCcdcFile() throws IOException { } @Test - public void shouldSupportCifCoreAliases() throws IOException { + void shouldSupportCifCoreAliases() throws IOException { // read CIF describing ligand CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/CBMZPN01.cif")); CifCoreBlock firstBlock = cifFile.as(StandardSchemata.CIF_CORE).getFirstBlock(); @@ -101,9 +101,9 @@ public void shouldSupportCifCoreAliases() throws IOException { CifBuilder.enterFile(StandardSchemata.CIF_CORE) .enterBlock("") .enterSpaceGroup() - .enterNameH_MFull() + .enterNameH_mFull() .leaveColumn() - .enterITNumber() + .enterItNumber() .leaveColumn() .leaveCategory() .leaveBlock() @@ -111,7 +111,7 @@ public void shouldSupportCifCoreAliases() throws IOException { } @Test - public void shouldRetrieveCellParamters() throws IOException { + void shouldRetrieveCellParamters() throws IOException { CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/CBMZPN01.cif")); CifCoreBlock firstBlock = cifFile.as(StandardSchemata.CIF_CORE).getFirstBlock(); @@ -143,11 +143,11 @@ private void assertAliases(CifCoreBlock firstBlock) { assertEquals("monoclinic", firstBlock.getSymmetry().getCellSetting().get(0)); assertEquals("monoclinic", firstBlock.getSymmetry().getColumn("cell_setting").getStringData(0)); - assertEquals("P 21/c", firstBlock.getSpaceGroup().getNameH_MFull().get(0)); + assertEquals("P 21/c", firstBlock.getSpaceGroup().getNameH_mFull().get(0)); assertEquals("P 21/c", firstBlock.getSymmetry().getSpaceGroupNameH_M().get(0)); assertEquals("P 21/c", firstBlock.getSymmetry().getColumn("space_group_name_H-M").getStringData(0)); - assertEquals(14, firstBlock.getSpaceGroup().getITNumber().get(0)); + assertEquals(14, firstBlock.getSpaceGroup().getItNumber().get(0)); assertEquals(14, firstBlock.getSymmetry().getIntTablesNumber().get(0)); assertEquals("14", firstBlock.getSymmetry().getColumn("Int_Tables_number").getStringData(0)); } diff --git a/src/test/java/org/rcsb/cif/PdbxNonpolyNdbSeqNumTest.java b/src/test/java/org/rcsb/cif/PdbxNonpolyNdbSeqNumTest.java deleted file mode 100644 index 1158cc7f9..000000000 --- a/src/test/java/org/rcsb/cif/PdbxNonpolyNdbSeqNumTest.java +++ /dev/null @@ -1,50 +0,0 @@ -package org.rcsb.cif; - -import org.junit.Test; -import org.rcsb.cif.model.CifFile; -import org.rcsb.cif.model.Column; -import org.rcsb.cif.model.StrColumn; -import org.rcsb.cif.schema.StandardSchemata; -import org.rcsb.cif.schema.mm.MmCifFile; - -import java.io.IOException; - -import static junit.framework.TestCase.assertEquals; - -/** - * BinaryCIF might slightly violate the schema and lead to a ClassCastException if not handled. - */ -public class PdbxNonpolyNdbSeqNumTest { - @Test - public void testGeneric() throws IOException { - CifFile rcsb = CifIO.readById("1acj"); - Column rcsbNdbSeqNum = rcsb.getBlocks().get(0) - .getCategory("pdbx_nonpoly_scheme") - .getColumn("ndb_seq_num"); - assertEquals(83, rcsbNdbSeqNum.getRowCount()); - - CifFile ebi = CifIO.readById("1acj", - new CifOptions.CifOptionsBuilder().fetchUrl("https://www.ebi.ac.uk/pdbe/coordinates/%s/full?encoding=bcif").build()); - Column ebiNdbSeqNum = ebi.getBlocks().get(0) - .getCategory("pdbx_nonpoly_scheme") - .getColumn("ndb_seq_num"); - assertEquals(83, ebiNdbSeqNum.getRowCount()); - } - - @Test - public void testWithSchema() throws IOException { - MmCifFile rcsb = CifIO.readById("1acj").as(StandardSchemata.MMCIF); - StrColumn rcsbNdbSeqNum = rcsb.getFirstBlock() - .getPdbxNonpolyScheme() - .getNdbSeqNum(); - assertEquals(83, rcsbNdbSeqNum.getRowCount()); - - MmCifFile ebi = CifIO.readById("1acj", - new CifOptions.CifOptionsBuilder().fetchUrl("https://www.ebi.ac.uk/pdbe/coordinates/%s/full?encoding=bcif").build()) - .as(StandardSchemata.MMCIF); - StrColumn ebiNdbSeqNum = ebi.getFirstBlock() - .getPdbxNonpolyScheme() - .getNdbSeqNum(); - assertEquals(83, ebiNdbSeqNum.getRowCount()); - } -} diff --git a/src/test/java/org/rcsb/cif/ReaderTest.java b/src/test/java/org/rcsb/cif/ReaderTest.java index 709badf40..daf8a47e6 100644 --- a/src/test/java/org/rcsb/cif/ReaderTest.java +++ b/src/test/java/org/rcsb/cif/ReaderTest.java @@ -1,24 +1,27 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.model.FloatColumn; import org.rcsb.cif.model.IntColumn; import org.rcsb.cif.schema.StandardSchemata; import org.rcsb.cif.schema.mm.AtomSite; import org.rcsb.cif.schema.mm.MmCifBlock; +import org.rcsb.cif.schema.mm.MmCifFile; import java.io.IOException; import java.io.InputStream; import java.util.List; import java.util.Map; +import java.util.OptionalDouble; -import static org.junit.Assert.assertEquals; +import static org.junit.jupiter.api.Assertions.*; import static org.rcsb.cif.TestHelper.ERROR_MARGIN; import static org.rcsb.cif.TestHelper.TEST_CASES; -public class ReaderTest { +class ReaderTest { @Test - public void testGzipReadingBehavior() throws IOException { + void testGzipReadingBehavior() throws IOException { // should recognize gzipped formats and decode them without specifying for (String id : TEST_CASES.keySet()) { testGzipReadingBehavior(id); @@ -41,7 +44,7 @@ private void testGzipReadingBehavior(String testCase) throws IOException { @Test @SuppressWarnings("rawtypes") - public void parseBinary() throws IOException, ParsingException { + void parseBinary() throws IOException, ParsingException { for (Map.Entry testCase : TEST_CASES.entrySet()) { InputStream inputStream = TestHelper.getInputStream("bcif/" + testCase.getKey() + ".bcif"); checkParsedEntity(CifIO.readFromInputStream(inputStream), testCase.getValue()); @@ -50,7 +53,7 @@ public void parseBinary() throws IOException, ParsingException { @Test @SuppressWarnings("rawtypes") - public void parseText() throws ParsingException, IOException { + void parseText() throws ParsingException, IOException { for (Map.Entry testCase : TEST_CASES.entrySet()) { InputStream inputStream = TestHelper.getInputStream("cif/" + testCase.getKey() + ".cif"); checkParsedEntity(CifIO.readFromInputStream(inputStream), testCase.getValue()); @@ -62,35 +65,86 @@ private void checkParsedEntity(CifFile cifFile, List testData) throws ParsingExc MmCifBlock data = cifFile.as(StandardSchemata.MMCIF).getFirstBlock(); AtomSite _atom_site = data.getAtomSite(); double firstCoordinate = _atom_site.getCartnX().get(0); - assertEquals("coordinate parsing corrupted", (double) testData.get(0), firstCoordinate, ERROR_MARGIN); + assertEquals((double) testData.get(0), firstCoordinate, ERROR_MARGIN, "coordinate parsing corrupted"); // the last residue sequence id IntColumn label_seq_id = _atom_site.getLabelSeqId(); - label_seq_id.values().max().ifPresent(i -> assertEquals("sequence id parsing corrupted", (int) testData.get(1), i)); + label_seq_id.values().max().ifPresent(i -> assertEquals((int) testData.get(1), i, "sequence id parsing corrupted")); String stringValue = data.getCategory("entry").getColumn("id").getStringData(0); - assertEquals("id parsing corrupted", testData.get(2), stringValue); + assertEquals(testData.get(2), stringValue, "id parsing corrupted"); } - @Test(expected = ParsingException.class) - public void shouldReportExceptionForEmptyBinaryFile() throws ParsingException, IOException { - CifIO.readFromInputStream(TestHelper.getInputStream("bcif/0emp.bcif")); + @Test + void shouldReportExceptionForEmptyBinaryFile() throws ParsingException { + InputStream inputStream = TestHelper.getInputStream("bcif/0emp.bcif"); + assertThrows(ParsingException.class, () -> CifIO.readFromInputStream(inputStream)); + } + + @Test + void shouldReportExceptionForEmptyTextFile() throws ParsingException { + InputStream inputStream = TestHelper.getInputStream("cif/0emp.cif"); + assertThrows(ParsingException.class, () -> CifIO.readFromInputStream(inputStream)); + } + + @Test + void shouldHonorFileFormatAndFailWhenMismatching1() throws ParsingException { + InputStream inputStream = TestHelper.getInputStream("bcif/1a2c.bcif"); + CifOptions options = CifOptions.builder().fileFormatHint(CifOptions.CifOptionsBuilder.FileFormat.BCIF_GZIPPED).build(); + assertThrows(ParsingException.class, () -> CifIO.readFromInputStream(inputStream, options)); + } + + @Test + void shouldHonorFileFormatAndFailWhenMismatching2() throws ParsingException { + InputStream inputStream = TestHelper.getInputStream("bcif/1a2c.bcif"); + CifOptions options = CifOptions.builder().fileFormatHint(CifOptions.CifOptionsBuilder.FileFormat.CIF_PLAIN).build(); + assertThrows(ParsingException.class, () -> CifIO.readFromInputStream(inputStream, options)); } - @Test(expected = ParsingException.class) - public void shouldReportExceptionForEmptyTextFile() throws ParsingException, IOException { - CifIO.readFromInputStream(TestHelper.getInputStream("cif/0emp.cif")); + + @Test + void whenReadingAlphaFoldText_thenConfidenceScoresAvailable() throws IOException { + String id = "AF-Q76EI6-F1-model_v6"; + InputStream inputStream = TestHelper.getInputStream("cif/" + id + ".cif"); + MmCifFile cifFile = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF); + + OptionalDouble averageLocal = cifFile.getFirstBlock() + .getMaQaMetricLocal() + .getMetricValue() + .values() + .average(); + + assertTrue(averageLocal.isPresent()); } - @Test(expected = ParsingException.class) - public void shouldHonorFileFormatAndFailWhenMismatching1() throws ParsingException, IOException { - CifIO.readFromInputStream(TestHelper.getInputStream("bcif/1a2c.bcif"), - CifOptions.builder().fileFormatHint(CifOptions.CifOptionsBuilder.FileFormat.BCIF_GZIPPED).build()); + @Test + void whenReadingStringWithEmptyQuotation_thenValueAvailable() throws IOException { + String id = "AF-O49373-F1-model_v4"; // this is a quirk in the v4 files only + InputStream inputStream = TestHelper.getInputStream("cif/" + id + ".cif"); + MmCifFile cifFile = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF); + + String gene = cifFile.getFirstBlock().getMaTargetRefDbDetails().getGeneName().get(0); + assertEquals("''cytochrome P450", gene, "Gene name with additional quotes not parsed correctly"); } - @Test(expected = ParsingException.class) - public void shouldHonorFileFormatAndFailWhenMismatching2() throws ParsingException, IOException { - CifIO.readFromInputStream(TestHelper.getInputStream("bcif/1a2c.bcif"), - CifOptions.builder().fileFormatHint(CifOptions.CifOptionsBuilder.FileFormat.CIF_PLAIN).build()); + @Test + void whenReadingBinaryColumnWithTypeMismatch_thenPerformanceNotDegrading() throws IOException { + String id = "9a2f"; + InputStream inputStream = TestHelper.getInputStream("bcif/" + id + ".bcif.gz"); + AtomSite atomSite = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF).getFirstBlock().getAtomSite(); + + // schema type is float but data is internally encoded as int -- assert that this doesn't degrade performance when accessing values one-by-one + FloatColumn bIsoOrEquiv = atomSite.getBIsoOrEquiv(); + + long start = System.nanoTime(); + double sum = 0.0; + for (int i = 0; i < bIsoOrEquiv.getRowCount(); i++) { + // invokes `getArray()`, which used to convert the internal array representation again and again if types diverged + sum += bIsoOrEquiv.get(i); + } + assertEquals(0.0, sum); + long end = System.nanoTime(); + long delta_ms = (end - start) / 1_000_000; + assertTrue(delta_ms < 250, "Access to took " + delta_ms + " ms and we deem that too slow"); } } \ No newline at end of file diff --git a/src/test/java/org/rcsb/cif/SchemaValidationTest.java b/src/test/java/org/rcsb/cif/SchemaValidationTest.java index 0f966a959..78bddf965 100644 --- a/src/test/java/org/rcsb/cif/SchemaValidationTest.java +++ b/src/test/java/org/rcsb/cif/SchemaValidationTest.java @@ -1,13 +1,17 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; +import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.model.FloatColumn; import org.rcsb.cif.schema.StandardSchemata; import java.io.IOException; -public class SchemaValidationTest { +import static org.junit.jupiter.api.Assertions.assertThrows; + +class SchemaValidationTest { @Test - public void shouldPassForMmCifFileWithMmCifSchema() throws IOException { + void shouldPassForMmCifFileWithMmCifSchema() throws IOException { CifIO.readFromInputStream(TestHelper.getInputStream("cif/1acj.cif")) .as(StandardSchemata.MMCIF) .getFirstBlock() @@ -17,7 +21,7 @@ public void shouldPassForMmCifFileWithMmCifSchema() throws IOException { } @Test - public void shouldPassForCifCoreFileWithCifCoreSchema() throws IOException { + void shouldPassForCifCoreFileWithCifCoreSchema() throws IOException { CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/867861-core.cif")) .as(StandardSchemata.CIF_CORE) .getFirstBlock() @@ -26,63 +30,63 @@ public void shouldPassForCifCoreFileWithCifCoreSchema() throws IOException { .get(0); } - @Test(expected = SchemaMismatchException.class) - public void shouldFailForMmCifFileWithCifCoreSchema() throws IOException { - try { - CifIO.readFromInputStream(TestHelper.getInputStream("cif/1acj.cif")) - .as(StandardSchemata.CIF_CORE) - .getFirstBlock() - .getCell() - .getLengthA() - .get(0); - } catch (SchemaMismatchException e) { - System.out.println("observed exception as expected: " + e); - throw e; - } + @Test + void shouldFailForMmCifFileWithCifCoreSchema() throws IOException { + CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/1acj.cif")); + assertThrows(SchemaMismatchException.class, () -> { + try { + cifFile.as(StandardSchemata.CIF_CORE); + } catch (SchemaMismatchException e) { + System.out.println("observed exception as expected: " + e); + throw e; + } + }); } - @Test(expected = SchemaMismatchException.class) - public void shouldFailForCifCoreFileWithMmCifSchema() throws IOException { - try { - CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/867861-core.cif")) - .as(StandardSchemata.MMCIF) - .getFirstBlock() - .getCell() - .getLengthA() - .get(0); - } catch (SchemaMismatchException e) { - System.out.println("observed exception as expected: " + e); - throw e; - } + @Test + void shouldFailForCifCoreFileWithMmCifSchema() throws IOException { + CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/867861-core.cif")); + assertThrows(SchemaMismatchException.class, () -> { + try { + cifFile.as(StandardSchemata.MMCIF); + } catch (SchemaMismatchException e) { + System.out.println("observed exception as expected: " + e); + throw e; + } + }); } - @Test(expected = EmptyColumnException.class) - public void shouldFailForMmCifFileWithCifCoreSchemaWithoutValidationWhenEmptyColumnIsAccessed() throws IOException { - try { - CifIO.readFromInputStream(TestHelper.getInputStream("cif/1acj.cif")) - .asButWithoutValidation(StandardSchemata.CIF_CORE) - .getFirstBlock() - .getCell() - .getLengthA() - .get(0); - } catch (EmptyColumnException e) { - System.out.println("observed exception as expected: " + e); - throw e; - } + @Test + void shouldFailForMmCifFileWithCifCoreSchemaWithoutValidationWhenEmptyColumnIsAccessed() throws IOException { + FloatColumn lengthA = CifIO.readFromInputStream(TestHelper.getInputStream("cif/1acj.cif")) + .asButWithoutValidation(StandardSchemata.CIF_CORE) + .getFirstBlock() + .getCell() + .getLengthA(); + assertThrows(EmptyColumnException.class, () -> { + try { + lengthA.get(0); + } catch (EmptyColumnException e) { + System.out.println("observed exception as expected: " + e); + throw e; + } + }); } - @Test(expected = EmptyColumnException.class) - public void shouldFailForCifCoreFileWithMmCifSchemaWithoutValidationWhenEmptyColumnIsAccessed() throws IOException { - try { - CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/867861-core.cif")) - .asButWithoutValidation(StandardSchemata.MMCIF) - .getFirstBlock() - .getCell() - .getLengthA() - .get(0); - } catch (EmptyColumnException e) { - System.out.println("observed exception as expected: " + e); - throw e; - } + @Test + void shouldFailForCifCoreFileWithMmCifSchemaWithoutValidationWhenEmptyColumnIsAccessed() throws IOException { + FloatColumn lengthA = CifIO.readFromInputStream(TestHelper.getInputStream("non-mmcif/867861-core.cif")) + .asButWithoutValidation(StandardSchemata.MMCIF) + .getFirstBlock() + .getCell() + .getLengthA(); + assertThrows(EmptyColumnException.class, () -> { + try { + lengthA.get(0); + } catch (EmptyColumnException e) { + System.out.println("observed exception as expected: " + e); + throw e; + } + }); } } diff --git a/src/test/java/org/rcsb/cif/TestHelper.java b/src/test/java/org/rcsb/cif/TestHelper.java index 20c852089..a027d7104 100644 --- a/src/test/java/org/rcsb/cif/TestHelper.java +++ b/src/test/java/org/rcsb/cif/TestHelper.java @@ -1,6 +1,6 @@ package org.rcsb.cif; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.binary.data.ByteArray; import java.io.ByteArrayOutputStream; @@ -12,15 +12,16 @@ import java.util.regex.Pattern; import java.util.stream.Collectors; import java.util.stream.Stream; +import java.util.zip.GZIPOutputStream; -import static junit.framework.TestCase.assertEquals; -import static org.junit.Assert.assertNotNull; +import static org.junit.jupiter.api.Assertions.assertEquals; +import static org.junit.jupiter.api.Assertions.assertNotNull; /** * Origin of files: * - bcif created by Mol* encoder * - cif created by Mol* encoder - * + *

* All tests ensure that the behavior of the reference implementation (i.e. Mol*) is recreated rather than that output * is in perfect agreement with e.g. PDB files. */ @@ -60,8 +61,9 @@ public static byte[] getBytes(String localPath) throws IOException { return byteArray; } - public static void assertEqualsIgnoringWhitespaces(String expected, String actual) { - assertEquals(expected.replaceAll("[\\s\"]+", ""), actual.replaceAll("[\\s\"]+", "")); + public static void assertEqualsIgnoringQuotesAndDecimalZeros(String expected, String actual) { + assertEquals(expected.replaceAll("\"", "").replaceAll("(\\d+\\.\\d{0,2})\\d*", "$1").replaceAll("\\.0+ ", " ").replaceAll("(\\.[1-9]+)0+", "$1"), + actual.replaceAll("\"", "").replaceAll("(\\d+\\.\\d{0,2})\\d*", "$1").replaceAll("\\.0+ ", " ").replaceAll("(\\.[1-9]+)0+", "$1")); } public static int[] convertToIntArray(byte[] bytes) { @@ -79,13 +81,24 @@ public static int[] convertToIntArray(String hex) { .toArray(); } + public static byte[] compress(byte[] bytes) throws IOException { + byte[] output; + try (ByteArrayOutputStream byteStream = new ByteArrayOutputStream(bytes.length)) { + try (GZIPOutputStream zipStream = new GZIPOutputStream(byteStream)) { + zipStream.write(bytes); + } + output = byteStream.toByteArray(); + } + return output; + } + @Test - public void shouldAcquireInputStream() { - assertNotNull("Could not acquire inputstream of local resource", getInputStream("cif/1pga.cif")); + void shouldAcquireInputStream() { + assertNotNull(getInputStream("cif/1pga.cif"), "Could not acquire inputstream of local resource"); } @Test - public void messagePackToUint8Array() throws IOException { + void messagePackToUint8Array() throws IOException { String id = "1j59.bcif"; assertNotNull(new ByteArray(TestHelper.getBytes("bcif/" + id)) .decode() diff --git a/src/test/java/org/rcsb/cif/UpdateTestFiles.java b/src/test/java/org/rcsb/cif/UpdateTestFiles.java new file mode 100644 index 000000000..ba6c6e4e4 --- /dev/null +++ b/src/test/java/org/rcsb/cif/UpdateTestFiles.java @@ -0,0 +1,35 @@ +package org.rcsb.cif; + +import org.rcsb.cif.model.CifFile; +import org.rcsb.cif.schema.StandardSchemata; + +import java.io.IOException; +import java.io.InputStream; +import java.nio.file.Path; +import java.nio.file.Paths; + +import static org.rcsb.cif.TestHelper.TEST_CASES; + +/** + * Args[0] points to snapshot directory: ciftools-java/src/test/resources/snapshot/ + */ +public class UpdateTestFiles { + public static void main(String[] args) throws IOException { + Path dest = Paths.get(args[0]); + + // run to update snapshot files + for (String id : TEST_CASES.keySet()) { + InputStream inputStream = TestHelper.getInputStream("cif/" + id + ".cif"); + CifFile data = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF); + + CifOptions options = CifOptions.builder().build(); + CifOptions optionsGzip = CifOptions.builder().gzip(true).build(); + + // convert to cif/bcif + CifIO.writeText(data, dest.resolve(id + ".cif"), options); + CifIO.writeText(data, dest.resolve(id + ".cif.gz"), optionsGzip); + CifIO.writeBinary(data, dest.resolve(id + ".bcif"), options); + CifIO.writeBinary(data, dest.resolve(id + ".bcif.gz"), optionsGzip); + } + } +} diff --git a/src/test/java/org/rcsb/cif/WriterTest.java b/src/test/java/org/rcsb/cif/WriterTest.java index 346d6cd71..c638b6977 100644 --- a/src/test/java/org/rcsb/cif/WriterTest.java +++ b/src/test/java/org/rcsb/cif/WriterTest.java @@ -1,16 +1,8 @@ package org.rcsb.cif; -import org.junit.Test; -import org.rcsb.cif.model.BlockBuilder; -import org.rcsb.cif.model.Category; -import org.rcsb.cif.model.CategoryBuilder; -import org.rcsb.cif.model.CifFile; -import org.rcsb.cif.model.CifFileBuilder; -import org.rcsb.cif.model.Column; -import org.rcsb.cif.model.FloatColumn; -import org.rcsb.cif.model.FloatColumnBuilder; -import org.rcsb.cif.model.IntColumn; -import org.rcsb.cif.model.IntColumnBuilder; +import org.junit.jupiter.api.Test; +import org.rcsb.cif.binary.codec.MessagePackCodec; +import org.rcsb.cif.model.*; import org.rcsb.cif.model.builder.CategoryBuilderImpl; import org.rcsb.cif.model.builder.FloatColumnBuilderImpl; import org.rcsb.cif.model.text.TextCategory; @@ -20,20 +12,22 @@ import org.rcsb.cif.schema.core.CifCoreFile; import org.rcsb.cif.schema.mm.MmCifBlock; import org.rcsb.cif.schema.mm.MmCifFile; +import org.rcsb.cif.schema.mm.PdbxStructModResidue; import java.io.ByteArrayInputStream; import java.io.IOException; import java.io.InputStream; -import java.nio.file.Paths; +import java.util.*; import java.util.regex.Pattern; +import java.util.stream.Collectors; -import static org.junit.Assert.*; +import static org.junit.jupiter.api.Assertions.*; import static org.rcsb.cif.TestHelper.TEST_CASES; -import static org.rcsb.cif.TestHelper.assertEqualsIgnoringWhitespaces; +import static org.rcsb.cif.TestHelper.assertEqualsIgnoringQuotesAndDecimalZeros; -public class WriterTest { +class WriterTest { @Test - public void testNumberFormatOfBuiltCifFile() throws IOException { + void testNumberFormatOfBuiltCifFile() throws IOException { CifFile cifFile = CifBuilder.enterFile() .enterBlock("test") .enterCategory("atom_site") @@ -59,7 +53,7 @@ public void testNumberFormatOfBuiltCifFile() throws IOException { } @Test - public void shouldReturnIntAndFloatColumn() throws IOException { + void shouldReturnIntAndFloatColumn() throws IOException { // upon serialization int and double types were lost for built files CategoryBuilder, ? extends CifFileBuilder> categoryBuilder = CifBuilder.enterFile() .enterBlock("test") @@ -100,7 +94,7 @@ public void shouldReturnIntAndFloatColumn() throws IOException { } @Test - public void testClassInferenceOfBuiltMmCifFile() { + void testClassInferenceOfBuiltMmCifFile() { MmCifFile cifFile = CifBuilder.enterFile(StandardSchemata.MMCIF) .enterBlock("test") .enterAtomSite() @@ -111,18 +105,18 @@ public void testClassInferenceOfBuiltMmCifFile() { .leaveBlock() .leaveFile(); MmCifBlock block = cifFile.getFirstBlock(); - assertTrue(block.getCategory("atom_site") instanceof org.rcsb.cif.schema.mm.AtomSite); - assertTrue(block.getCategory("atom_site").getColumn("B_iso_or_equiv") instanceof FloatColumn); + assertInstanceOf(org.rcsb.cif.schema.mm.AtomSite.class, block.getCategory("atom_site")); + assertInstanceOf(FloatColumn.class, block.getCategory("atom_site").getColumn("B_iso_or_equiv")); Category atom_site = new CategoryBuilderImpl<>("atom_site", null).build(); - assertTrue(atom_site instanceof TextCategory); + assertInstanceOf(TextCategory.class, atom_site); FloatColumn cartnX = new FloatColumnBuilderImpl<>("atom_site", "Cartn_x", null).build(); assertNotNull(cartnX); } @Test - public void testClassInferenceOfBuiltCifCoreFile() { + void testClassInferenceOfBuiltCifCoreFile() { CifCoreFile cifFile = CifBuilder.enterFile(StandardSchemata.CIF_CORE) .enterBlock("test") .enterAtomSite() @@ -139,7 +133,7 @@ public void testClassInferenceOfBuiltCifCoreFile() { assertTrue(columnBySchema.isDefined()); Column columnByName = block.getColumn("atom_site_B_iso_or_equiv"); assertTrue(columnByName.isDefined()); - assertTrue(columnByName instanceof FloatColumn); + assertInstanceOf(FloatColumn.class, columnByName); AtomSite categoryBySchema = block.getAtomSite(); assertTrue(categoryBySchema.isDefined()); @@ -149,14 +143,14 @@ public void testClassInferenceOfBuiltCifCoreFile() { assertFalse(categoryByName.isDefined()); Category atom_site = new CategoryBuilderImpl<>("atom_site", null).build(); - assertTrue(atom_site instanceof TextCategory); + assertInstanceOf(TextCategory.class, atom_site); FloatColumn cartnX = new FloatColumnBuilderImpl<>("atom_site", "Cartn_x", null).build(); assertNotNull(cartnX); } @Test - public void writeText() throws ParsingException, IOException { + void writeText() throws ParsingException, IOException { for (String id : TEST_CASES.keySet()) { writeText(id); } @@ -172,11 +166,11 @@ private void writeText(String testCase) throws ParsingException, IOException { // convert to cif String copy = new String(CifIO.writeText(text)); - assertEqualsIgnoringWhitespaces(original, copy); + assertEqualsIgnoringQuotesAndDecimalZeros(original, copy); } @Test - public void writeBinary() throws ParsingException, IOException { + void writeBinary() throws ParsingException, IOException { for (String id : TEST_CASES.keySet()) { writeBinary(id); } @@ -186,7 +180,8 @@ private void writeBinary(String testCase) throws ParsingException, IOException { // a snapshot of the ciftools output is used - the implementation will not exactly recreate Mol* output // this test is to check if some code change breaks byte[] original = TestHelper.getBytes("snapshot/" + testCase + ".bcif"); - byte[] originalGzip = TestHelper.getBytes("snapshot/" + testCase + ".bcif.gz"); + // create gzip on the fly so differences in gzip impl don't cause test failures on Java 17 + byte[] originalGzip = TestHelper.compress(original); // read from bcif InputStream inputStream = TestHelper.getInputStream("snapshot/" + testCase + ".bcif"); @@ -196,41 +191,113 @@ private void writeBinary(String testCase) throws ParsingException, IOException { byte[] output = CifIO.writeBinary(binary); byte[] outputGzip = CifIO.writeBinary(binary, CifOptions.builder().gzip(true).build()); - assertEquals("failed for " + testCase, new String(original), new String(output)); - assertEquals("failed (gzip) for " + testCase, new String(originalGzip), new String(outputGzip)); + assertEquals(new String(original), new String(output), "failed for " + testCase); + assertEquals(new String(originalGzip), new String(outputGzip), "failed (gzip) for " + testCase); // cannot match to David's bcif data as column types differ slightly - assertArrayEquals("binary write output does not match snapshot of output - did the implementation change?" + - " if so, update snapshot files in snapshot/", original, output); - assertArrayEquals("binary write output does not match snapshot of output - did the implementation change?" + - " if so, update snapshot files in snapshot/", originalGzip, outputGzip); + assertArrayEquals(original, output, "binary write output does not match snapshot of output - did the implementation change?" + + " if so, update snapshot files in snapshot/"); + assertArrayEquals(originalGzip, outputGzip, "binary write output does not match snapshot of output - did the implementation change?" + + " if so, update snapshot files in snapshot/"); } - public static void main(String[] args) throws IOException { - // run to update snapshot files - for (String id : TEST_CASES.keySet()) { - InputStream inputStream = TestHelper.getInputStream("cif/" + id + ".cif"); - CifFile data = CifIO.readFromInputStream(inputStream).as(StandardSchemata.MMCIF); + @Test + @SuppressWarnings("unchecked") + void shouldWriteNullMaskIfAllValuesPresent() throws IOException { + CifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/1a2c.cif")); + byte[] bytes = CifIO.writeBinary(cifFile); + Map message = MessagePackCodec.decode(new ByteArrayInputStream(bytes)); + Map block = (Map) ((Object[]) message.get("dataBlocks"))[0]; + Map atomSite = (Map) Arrays.stream((Object[]) block.get("categories")).map(Map.class::cast).filter(m -> m.get("name").equals("_atom_site")).findFirst().orElse(null); + assertNotNull(atomSite); + Map authAsymId = (Map) Arrays.stream((Object[]) atomSite.get("columns")).map(Map.class::cast).filter(m -> m.get("name").equals("auth_asym_id")).findFirst().orElse(null); + assertNotNull(authAsymId); + assertNull(authAsymId.get("mask"), "empty mask must be encoded by 'null' value"); + } - CifOptions options = CifOptions.builder().build(); - CifOptions optionsGzip = CifOptions.builder().gzip(true).build(); + @Test + void testNonEnglishLocaleSupport() throws IOException { + // set to some locale that has a different number format + Locale.setDefault(Locale.FRANCE); + + MmCifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/1a2c.cif")) + .as(StandardSchemata.MMCIF); + byte[] written = CifIO.writeText(cifFile); + + MmCifFile back = CifIO.readFromInputStream(new ByteArrayInputStream(written)) + .as(StandardSchemata.MMCIF); + org.rcsb.cif.schema.mm.AtomSite atomSite = back.getFirstBlock().getAtomSite(); + assertEquals(18.623, atomSite.getCartnX().get(0)); + assertEquals(1.00, atomSite.getOccupancy().get(0)); + assertEquals(0.013895, back.getFirstBlock().getAtomSites().getFractTransfMatrix11().get(0)); + } - // convert to cif/bcif - CifIO.writeText(data, - Paths.get("/Users/sebastian/snapshot/").resolve(id + ".cif"), - options); + @Test + void whenReading5E_thenNotTreatedAsScientificNumber() throws IOException { + // might treat the 5E in `TNT refinement 5E ? 4 ` as scientific notation + MmCifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/1onx.cif")) + .as(StandardSchemata.MMCIF); + assertNotNull(CifIO.writeBinary(cifFile)); + } - CifIO.writeText(data, - Paths.get("/Users/sebastian/snapshot/").resolve(id + ".cif.gz"), - optionsGzip); + @Test + void whenReadingChecksum_thenNotTreatedAsInt() throws IOException { + // might treat the CRC64 in `_ma_target_ref_db_details.seq_db_sequence_checksum 0197355516942160` as int + MmCifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("cif/AF-P41068-F1-model_v6.cif")) + .as(StandardSchemata.MMCIF); + assertEquals("0197355516942160", cifFile.getFirstBlock().getMaTargetRefDbDetails().getSeqDbSequenceChecksum().get(0)); + assertNotNull(CifIO.writeBinary(cifFile)); + } - CifIO.writeBinary(data, - Paths.get("/Users/sebastian/snapshot/").resolve(id + ".bcif"), - options); + @Test + void whenEmptyCategory_thenNotWritten() throws IOException { + MmCifFile cifFile = CifIO.readFromInputStream(TestHelper.getInputStream("bcif/1acj.bcif.gz")).as(StandardSchemata.MMCIF); + MmCifBlock block = cifFile.getFirstBlock(); + PdbxStructModResidue modResidue = block.getPdbxStructModResidue(); // this access adds an empty to the block + assertFalse(modResidue.isDefined(), "category should be undefined"); - CifIO.writeBinary(data, - Paths.get("/Users/sebastian/snapshot/").resolve(id + ".bcif.gz"), - optionsGzip); - } + byte[] text = CifIO.writeText(cifFile); + assertFalse(CifIO.readFromInputStream(new ByteArrayInputStream(text)).as(StandardSchemata.MMCIF).getFirstBlock().getPdbxStructModResidue().isDefined()); + byte[] binary = CifIO.writeBinary(cifFile); + assertFalse(CifIO.readFromInputStream(new ByteArrayInputStream(binary)).as(StandardSchemata.MMCIF).getFirstBlock().getPdbxStructModResidue().isDefined()); + } + + @Test + void whenWritingValuesThatRequireMask_thenRoundTrip() throws IOException { + List vals = new ArrayList<>(); + vals.add(""); // crucial for original bug that this starts with an ambiguous value + vals.add(null); + vals.add("."); + vals.add("?"); + vals.add(""); + + MmCifFile mmCifFile = CifBuilder.enterFile(StandardSchemata.MMCIF) + .enterBlock("?") + .enterAtomSite() + .enterLabelAltId() + .add(vals.toArray(String[]::new)) + .add("A") + .add("B") + .add("") + .addNullable(vals) + .add(".") + .add("?") + .markNextNotPresent() + .markNextUnknown() + .add("A") + .add("B") + .leaveColumn() + .leaveCategory() + .leaveBlock() + .leaveFile(); + + byte[] back = CifIO.writeBinary(mmCifFile); + StrColumn lai = CifIO.readFromInputStream(new ByteArrayInputStream(back)) + .as(StandardSchemata.MMCIF) + .getFirstBlock() + .getAtomSite() + .getLabelAltId(); + int rc = lai.getRowCount(); + assertEquals(19, rc); } } diff --git a/src/test/java/org/rcsb/cif/binary/codec/ByteArrayCodecTest.java b/src/test/java/org/rcsb/cif/binary/codec/ByteArrayCodecTest.java index 9fed12a65..e7e724daf 100644 --- a/src/test/java/org/rcsb/cif/binary/codec/ByteArrayCodecTest.java +++ b/src/test/java/org/rcsb/cif/binary/codec/ByteArrayCodecTest.java @@ -1,15 +1,15 @@ package org.rcsb.cif.binary.codec; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.TestHelper; import org.rcsb.cif.binary.data.*; import org.rcsb.cif.binary.encoding.ByteArrayEncoding; -import static org.junit.Assert.assertArrayEquals; +import static org.junit.jupiter.api.Assertions.assertArrayEquals; -public class ByteArrayCodecTest { +class ByteArrayCodecTest { @Test - public void testForwardInt8() { + void testForwardInt8() { // create test case Int8Array plainArray = new Int8Array(new int[] { 1, 2, 3, 4, -128, 127 }); @@ -23,7 +23,7 @@ public void testForwardInt8() { } @Test - public void testForwardInt16() { + void testForwardInt16() { // create test case Int16Array plainArray = new Int16Array(new int[] { 1, 2, 3, 4, -32_768, 32_767 }); @@ -37,7 +37,7 @@ public void testForwardInt16() { } @Test - public void testForwardInt32() { + void testForwardInt32() { // create test case Int32Array plainArray = new Int32Array(new int[] { 1, 2, 3, 4, -2_147_483_648, 2_147_483_647 }); @@ -51,7 +51,7 @@ public void testForwardInt32() { } @Test - public void testForwardUint8() { + void testForwardUint8() { // create test case Uint8Array plainArray = new Uint8Array(new int[] { 1, 2, 3, 4, 0, 255 }); @@ -65,7 +65,7 @@ public void testForwardUint8() { } @Test - public void testForwardUint16() { + void testForwardUint16() { // create test case Uint16Array plainArray = new Uint16Array(new int[] { 1, 2, 3, 4, 0, 65_535 }); @@ -79,7 +79,7 @@ public void testForwardUint16() { } @Test - public void testForwardUint32() { + void testForwardUint32() { // create test case Uint32Array plainArray = new Uint32Array(new int[] { 1, 2, 3, 4, 0, Integer.MAX_VALUE }); @@ -93,7 +93,7 @@ public void testForwardUint32() { } @Test - public void testForwardFloat32() { + void testForwardFloat32() { // create test case Float32Array plainArray = new Float32Array(new double[] { -1.0, 2.3, -3.5, 4, -Float.MAX_VALUE, Float.MAX_VALUE }); @@ -107,7 +107,7 @@ public void testForwardFloat32() { } @Test - public void testForwardFloat64() { + void testForwardFloat64() { // create test case Float64Array plainArray = new Float64Array(new double[] { -1.0, 2.3, -3.5, 4, -Double.MAX_VALUE, Double.MAX_VALUE }); diff --git a/src/test/java/org/rcsb/cif/binary/codec/DeltaCodecTest.java b/src/test/java/org/rcsb/cif/binary/codec/DeltaCodecTest.java index d08fc27e3..0afdf3964 100644 --- a/src/test/java/org/rcsb/cif/binary/codec/DeltaCodecTest.java +++ b/src/test/java/org/rcsb/cif/binary/codec/DeltaCodecTest.java @@ -1,14 +1,14 @@ package org.rcsb.cif.binary.codec; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.binary.data.Int8Array; import org.rcsb.cif.binary.encoding.DeltaEncoding; -import static org.junit.Assert.*; +import static org.junit.jupiter.api.Assertions.*; -public class DeltaCodecTest { +class DeltaCodecTest { @Test - public void testForward() { + void testForward() { // create test case Int8Array plainArray = new Int8Array(new int[] { 1, 2, 3, 4, 5, 6 }); @@ -23,7 +23,7 @@ public void testForward() { } @Test - public void honorSrcType() { + void honorSrcType() { // create test case Int8Array plainArray = new Int8Array(new int[] { 1, 2, 3, 4, 5, 6 }); @@ -38,7 +38,7 @@ public void honorSrcType() { } @Test - public void emptyCase() { + void emptyCase() { Int8Array plainArray = new Int8Array(new int[0]); // encode diff --git a/src/test/java/org/rcsb/cif/binary/codec/FixedPointCodecTest.java b/src/test/java/org/rcsb/cif/binary/codec/FixedPointCodecTest.java index 86e29b9ed..26b15e4ad 100644 --- a/src/test/java/org/rcsb/cif/binary/codec/FixedPointCodecTest.java +++ b/src/test/java/org/rcsb/cif/binary/codec/FixedPointCodecTest.java @@ -1,15 +1,15 @@ package org.rcsb.cif.binary.codec; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.TestHelper; import org.rcsb.cif.binary.data.*; import org.rcsb.cif.binary.encoding.FixedPointEncoding; -import static org.junit.Assert.assertArrayEquals; +import static org.junit.jupiter.api.Assertions.assertArrayEquals; -public class FixedPointCodecTest { +class FixedPointCodecTest { @Test - public void testForward() { + void testForward() { // create test case int factor = 1000; Float64Array plainArray = new Float64Array(new double[] { -1, 2.04, -100.5893, 42, Integer.MAX_VALUE / (double) factor, @@ -26,7 +26,7 @@ public void testForward() { } @Test - public final void testFixedPoint() { + void testFixedPoint() { Int32Array intArray = new Int32Array(new int[] { 10001, 100203, 124542 }); FloatArray testFloatArray = new Float64Array(new double[] { 10.001, 100.203, 124.542 }); diff --git a/src/test/java/org/rcsb/cif/binary/codec/IntegerPackingCodecTest.java b/src/test/java/org/rcsb/cif/binary/codec/IntegerPackingCodecTest.java index 7deb9567a..b132a9332 100644 --- a/src/test/java/org/rcsb/cif/binary/codec/IntegerPackingCodecTest.java +++ b/src/test/java/org/rcsb/cif/binary/codec/IntegerPackingCodecTest.java @@ -1,15 +1,15 @@ package org.rcsb.cif.binary.codec; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.binary.data.Int32Array; import org.rcsb.cif.binary.data.IntArray; import org.rcsb.cif.binary.encoding.IntegerPackingEncoding; -import static org.junit.Assert.assertArrayEquals; +import static org.junit.jupiter.api.Assertions.assertArrayEquals; -public class IntegerPackingCodecTest { +class IntegerPackingCodecTest { @Test - public void testForward() { + void testForward() { // create test case Int32Array plainArray = new Int32Array(new int[] { -1, 2, -100, 42, 126 }); diff --git a/src/test/java/org/rcsb/cif/binary/codec/IntervalQuantizationCodecTest.java b/src/test/java/org/rcsb/cif/binary/codec/IntervalQuantizationCodecTest.java index 53ffc1171..b62dd39fb 100644 --- a/src/test/java/org/rcsb/cif/binary/codec/IntervalQuantizationCodecTest.java +++ b/src/test/java/org/rcsb/cif/binary/codec/IntervalQuantizationCodecTest.java @@ -1,16 +1,16 @@ package org.rcsb.cif.binary.codec; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.binary.data.Float32Array; import org.rcsb.cif.binary.data.FloatArray; import org.rcsb.cif.binary.data.Int32Array; import org.rcsb.cif.binary.encoding.IntervalQuantizationEncoding; -import static org.junit.Assert.assertArrayEquals; +import static org.junit.jupiter.api.Assertions.assertArrayEquals; -public class IntervalQuantizationCodecTest { +class IntervalQuantizationCodecTest { @Test - public void testEncode() { + void testEncode() { // create test case FloatArray plainArray = new Float32Array(new double[] { 0.5, 1, 1.5, 2, 3, 1.345 }); Int32Array expected = new Int32Array( new int[] { 0, 0, 1, 2, 2, 1 }); diff --git a/src/test/java/org/rcsb/cif/binary/codec/MessagePackCodecTest.java b/src/test/java/org/rcsb/cif/binary/codec/MessagePackCodecTest.java index 3ececa652..2fb3b9560 100644 --- a/src/test/java/org/rcsb/cif/binary/codec/MessagePackCodecTest.java +++ b/src/test/java/org/rcsb/cif/binary/codec/MessagePackCodecTest.java @@ -1,6 +1,6 @@ package org.rcsb.cif.binary.codec; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.TestHelper; import java.io.ByteArrayInputStream; @@ -10,17 +10,17 @@ import java.util.LinkedHashMap; import java.util.Map; -import static org.junit.Assert.assertArrayEquals; -import static org.junit.Assert.assertEquals; +import static org.junit.jupiter.api.Assertions.assertArrayEquals; +import static org.junit.jupiter.api.Assertions.assertEquals; import static org.rcsb.cif.TestHelper.convertToIntArray; /** - * - Obtain MessagePacked data at: https://msgpack.org/ + * - Obtain MessagePacked data at: msgpack.com * - Always use a sorted Map implementation (e.g. LinkedHashMap) as order matters. */ -public class MessagePackCodecTest { +class MessagePackCodecTest { @Test - public void encodeString() { + void encodeString() { int[] expected = convertToIntArray("82 a2 53 31 a0 a2 53 32 ab 4c 6f 72 65 6d 20 69 70 73 75 6d"); // {"S1":"","S2":"Lorem ipsum"} @@ -34,7 +34,7 @@ public void encodeString() { } @Test - public void encodeNumbers() { + void encodeNumbers() { int[] expected = convertToIntArray("82 a2 49 31 11 a2 44 31 cb c0 50 6c cc cc cc cc cd"); // {"I1": 17,"D1":-65.7} @@ -48,7 +48,7 @@ public void encodeNumbers() { } @Test - public void encodeNull() { + void encodeNull() { int[] expected = convertToIntArray("81 a4 6e 75 6c 6c c0"); // {"null":null} @@ -61,7 +61,7 @@ public void encodeNull() { } @Test - public void encodeBoolean() { + void encodeBoolean() { int[] expected = convertToIntArray("82 a4 74 72 75 65 c3 a5 66 61 6c 73 65 c2"); // {"true":true} @@ -75,7 +75,7 @@ public void encodeBoolean() { } @Test - public void encodeEmptyMap() { + void encodeEmptyMap() { int[] expected = convertToIntArray("81 a3 6f 62 6a 80"); // {"obj":{}} @@ -88,7 +88,7 @@ public void encodeEmptyMap() { } @Test - public void encodeMap() { + void encodeMap() { int[] expected = convertToIntArray("81 a3 6f 62 6a 83 a2 53 31 a3 73 74 72 a2 49 31 f4 a2 44 31 cb 40 5f d4 b0 f2 7b b2 ff"); // {"obj":{"S1":"str","I1":-12,"D1":127.3233}} @@ -105,7 +105,7 @@ public void encodeMap() { } @Test - public void encodeEmptyArray() { + void encodeEmptyArray() { int[] expected = convertToIntArray("81 a3 61 72 72 90"); // {"arr":[]} @@ -118,7 +118,7 @@ public void encodeEmptyArray() { } @Test - public void testForward() throws IOException { + void testForward() throws IOException { // create test case Map originalMap = new LinkedHashMap<>(); originalMap.put("S1", "Lorem"); @@ -149,7 +149,7 @@ public void testForward() throws IOException { } @Test - public void testNegFixInt() throws IOException { + void testNegFixInt() throws IOException { // there was a strange case when negative int values with length of 1 byte where horribly misinterpreted as 4 // bytes of information Map originalMap = new LinkedHashMap<>(); @@ -164,7 +164,7 @@ public void testNegFixInt() throws IOException { } @Test - public void testBackward() throws IOException { + void testBackward() throws IOException { // obtain example file InputStream inputStream = TestHelper.getInputStream("bcif/1pga.bcif"); diff --git a/src/test/java/org/rcsb/cif/binary/codec/RunLengthCodecTest.java b/src/test/java/org/rcsb/cif/binary/codec/RunLengthCodecTest.java index 2bddf42d6..ae63bc12c 100644 --- a/src/test/java/org/rcsb/cif/binary/codec/RunLengthCodecTest.java +++ b/src/test/java/org/rcsb/cif/binary/codec/RunLengthCodecTest.java @@ -1,14 +1,14 @@ package org.rcsb.cif.binary.codec; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.binary.data.*; import org.rcsb.cif.binary.encoding.RunLengthEncoding; -import static org.junit.Assert.assertArrayEquals; +import static org.junit.jupiter.api.Assertions.assertArrayEquals; -public class RunLengthCodecTest { +class RunLengthCodecTest { @Test - public void testForward() { + void testForward() { // create test case Int32Array plainArray = new Int32Array(new int[] { 15, 15, 15, 100, 100, 111, 111, 111, 111, 10000, 10000, 10000, 10000, 10000, 10000 }); @@ -23,7 +23,7 @@ public void testForward() { } @Test - public void testEncode() { + void testEncode() { int[] expected = new int[] { 1, 3, 2, 1, 3, 2 }; Int8Array plainArray = new Int8Array(new int[] { 1, 1, 1, 2, 3, 3 }); @@ -34,7 +34,7 @@ public void testEncode() { } @Test - public void testDecode() { + void testDecode() { int[] expected = new int[] { 15, 15, 15, 100, 100, 111, 111, 111, 111, 10000, 10000, 10000, 10000, 10000, 10000 }; Int32Array encodedArray = new Int32Array(new int[] { 15, 3, 100, 2, 111, 4, 10000, 6 }); diff --git a/src/test/java/org/rcsb/cif/binary/codec/StringArrayCodecTest.java b/src/test/java/org/rcsb/cif/binary/codec/StringArrayCodecTest.java index 8cec7491f..55b948596 100644 --- a/src/test/java/org/rcsb/cif/binary/codec/StringArrayCodecTest.java +++ b/src/test/java/org/rcsb/cif/binary/codec/StringArrayCodecTest.java @@ -1,6 +1,6 @@ package org.rcsb.cif.binary.codec; -import org.junit.Test; +import org.junit.jupiter.api.Test; import org.rcsb.cif.binary.data.ByteArray; import org.rcsb.cif.binary.data.StringArray; import org.rcsb.cif.binary.encoding.StringArrayEncoding; @@ -8,11 +8,11 @@ import java.util.regex.Pattern; import java.util.stream.IntStream; -import static org.junit.Assert.assertArrayEquals; +import static org.junit.jupiter.api.Assertions.assertArrayEquals; -public class StringArrayCodecTest { +class StringArrayCodecTest { @Test - public void testForward() { + void testForward() { // create test case StringArray plainArray = new StringArray(new String[] { "a", "AB", "a" }); @@ -27,7 +27,7 @@ public void testForward() { } @Test - public void testRoundtrip() { + void testRoundtrip() { StringArray plainArray = new StringArray(IntStream.range(0, 536) .mapToObj(i -> "n") .toArray(String[]::new)); @@ -43,7 +43,7 @@ public void testRoundtrip() { } @Test - public void testNullAndEmpty() { + void testNullAndEmpty() { StringArray plainArray = new StringArray(new String[] { "a", "AB", null, null, "", "a", "" }); // null and "" will be 'merged' into empty strings String[] expected = new String[] { "a", "AB", "", "", "", "a", "" }; @@ -59,7 +59,7 @@ public void testNullAndEmpty() { } @Test - public void testChaining() { + void testChaining() { StringArray plainArray = new StringArray(Pattern.compile(", ") .splitAsStream("L-peptide linking, L-peptide linking, L-peptide linking, L-peptide linking, " + "L-peptide linking, L-peptide linking, L-peptide linking, peptide linking, L-peptide linking, " + diff --git a/src/test/resources/bcif/1a2c.bcif b/src/test/resources/bcif/1a2c.bcif index 0faeee88f..38d08f728 100644 Binary files a/src/test/resources/bcif/1a2c.bcif and b/src/test/resources/bcif/1a2c.bcif differ diff --git a/src/test/resources/bcif/1a2c.bcif.gz b/src/test/resources/bcif/1a2c.bcif.gz index d5f3b9757..a0e75bdec 100644 Binary files a/src/test/resources/bcif/1a2c.bcif.gz and b/src/test/resources/bcif/1a2c.bcif.gz differ diff --git a/src/test/resources/bcif/1acj.bcif b/src/test/resources/bcif/1acj.bcif index f74a9dd81..f799ce6ba 100644 Binary files a/src/test/resources/bcif/1acj.bcif and b/src/test/resources/bcif/1acj.bcif differ diff --git a/src/test/resources/bcif/1acj.bcif.gz b/src/test/resources/bcif/1acj.bcif.gz index 7d4aba188..831af5de0 100644 Binary files a/src/test/resources/bcif/1acj.bcif.gz and b/src/test/resources/bcif/1acj.bcif.gz differ diff --git a/src/test/resources/bcif/1j59.bcif b/src/test/resources/bcif/1j59.bcif index 95bbdf594..d9883ed96 100644 Binary files a/src/test/resources/bcif/1j59.bcif and b/src/test/resources/bcif/1j59.bcif differ diff --git a/src/test/resources/bcif/1j59.bcif.gz b/src/test/resources/bcif/1j59.bcif.gz index daab9a0e5..e36b922c3 100644 Binary files a/src/test/resources/bcif/1j59.bcif.gz and b/src/test/resources/bcif/1j59.bcif.gz differ diff --git a/src/test/resources/bcif/1pga.bcif b/src/test/resources/bcif/1pga.bcif index 0b393b90b..6935698d7 100644 Binary files a/src/test/resources/bcif/1pga.bcif and b/src/test/resources/bcif/1pga.bcif differ diff --git a/src/test/resources/bcif/1pga.bcif.gz b/src/test/resources/bcif/1pga.bcif.gz index 880fe4d36..88794e36b 100644 Binary files a/src/test/resources/bcif/1pga.bcif.gz and b/src/test/resources/bcif/1pga.bcif.gz differ diff --git a/src/test/resources/bcif/4cxl.bcif b/src/test/resources/bcif/4cxl.bcif index c51a5dbee..4346f82bb 100644 Binary files a/src/test/resources/bcif/4cxl.bcif and b/src/test/resources/bcif/4cxl.bcif differ diff --git a/src/test/resources/bcif/4cxl.bcif.gz b/src/test/resources/bcif/4cxl.bcif.gz index 9cc8ff5fc..b7356f4bd 100644 Binary files a/src/test/resources/bcif/4cxl.bcif.gz and b/src/test/resources/bcif/4cxl.bcif.gz differ diff --git a/src/test/resources/bcif/5zmz.bcif b/src/test/resources/bcif/5zmz.bcif index 267e116c1..bd3d7ddd9 100644 Binary files a/src/test/resources/bcif/5zmz.bcif and b/src/test/resources/bcif/5zmz.bcif differ diff --git a/src/test/resources/bcif/5zmz.bcif.gz b/src/test/resources/bcif/5zmz.bcif.gz index 4adcd814d..d702fdcb7 100644 Binary files a/src/test/resources/bcif/5zmz.bcif.gz and b/src/test/resources/bcif/5zmz.bcif.gz differ diff --git a/src/test/resources/bcif/9a2f.bcif.gz b/src/test/resources/bcif/9a2f.bcif.gz new file mode 100644 index 000000000..cebe1990d Binary files /dev/null and b/src/test/resources/bcif/9a2f.bcif.gz differ diff --git a/src/test/resources/cif/1a2c.cif b/src/test/resources/cif/1a2c.cif index 379e2ff61..1fe8cd27c 100644 --- a/src/test/resources/cif/1a2c.cif +++ b/src/test/resources/cif/1a2c.cif @@ -1,1293 +1,1088 @@ data_1A2C # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:42:49' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id y9MVpI1ww10Y5xAihfVuwQ +_model_server_result.datetime_utc '2022-06-14 23:41:52' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 1a2c # _entry.id 1A2C # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.279 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer nat 'Thrombin light chain' ? ? . ? ? 3.4.21.5 -2 polymer nat 'Thrombin heavy chain' ? ? . ? ? 3.4.21.5 -3 polymer man 'Hirudin variant-2' ? ? . ? 'UNP residues 60-71' ? -4 polymer nat 'Aeruginosin 298-A' ? ? . ? ? ? -5 non-polymer syn 'SODIUM ION' ? ? . ? ? ? -6 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 1A2C +wwpdb D_1000170306 # -_exptl.entry_id 1A2C -_exptl.method 'X-ray diffraction' +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 1A2C +_pdbx_database_status.recvd_initial_deposition_date 1997-12-26 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site ? +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category . +_pdbx_database_status.pdb_format_compatible y # loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 GLU A 16 . LYS A 18 . GLU L 8 LYS L 10 5 ? 3 -HELX_P HELX_P2 2 GLU A 25 C GLU A 25 C GLU L 14 GLU L 14 1 ? 1 -HELX_P HELX_P3 3 ARG A 26 D ARG A 26 D ARG L 14 ARG L 14 1 ? 1 -HELX_P HELX_P4 4 GLU A 27 E GLU A 27 E GLU L 14 GLU L 14 1 ? 1 -HELX_P HELX_P5 5 LEU A 28 F LEU A 28 F LEU L 14 LEU L 14 1 ? 1 -HELX_P HELX_P6 6 LEU A 29 G LEU A 29 G LEU L 14 LEU L 14 1 ? 1 -HELX_P HELX_P7 7 GLU A 30 H GLU A 30 H GLU L 14 GLU L 14 1 ? 1 -HELX_P HELX_P8 8 SER A 31 I SER A 31 I SER L 14 SER L 14 1 ? 1 -HELX_P HELX_P9 9 ALA B 42 . CYS B 44 . ALA H 56 CYS H 58 5 ? 3 -HELX_P HELX_P10 10 PRO B 48 B PRO B 48 B PRO H 60 PRO H 60 5 ? 1 -HELX_P HELX_P11 11 PRO B 49 C PRO B 49 C PRO H 60 PRO H 60 5 ? 1 -HELX_P HELX_P12 12 TRP B 50 D TRP B 50 D TRP H 60 TRP H 60 5 ? 1 -HELX_P HELX_P13 13 GLU B 56 . ASP B 58 . GLU H 61 ASP H 63 5 ? 3 -HELX_P HELX_P14 14 ARG B 123 . ALA B 126 . ARG H 126 ALA H 129 1 ? 4 -HELX_P HELX_P15 15 ALA B 127 A ALA B 127 A ALA H 129 ALA H 129 1 ? 1 -HELX_P HELX_P16 16 SER B 128 B SER B 128 B SER H 129 SER H 129 1 ? 1 -HELX_P HELX_P17 17 LEU B 129 C LEU B 129 C LEU H 129 LEU H 129 1 ? 1 -HELX_P HELX_P18 18 ARG B 170 . SER B 176 . ARG H 165 SER H 171 1 ? 7 -HELX_P HELX_P19 19 PHE B 244 . PHE B 257 . PHE H 232 PHE H 245 5 ? 14 +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Rios-Steiner, J.L.' 1 . +'Murakami, M.' 2 . +'Tulinsky, A.' 3 . # loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -A 3 GLN B 15 . ARG B 20 . ? GLN H 30 ARG H 35 -A 4 GLU B 25 . SER B 31 . ? GLU H 39 SER H 45 -B 1 TRP B 37 . THR B 40 . ? TRP H 51 THR H 54 -A 2 LEU B 59 . ILE B 63 . ? LEU H 64 ILE H 68 -A 1 LYS B 77 . SER B 79 . ? LYS H 81 SER H 83 -B 3 LEU B 81 . ILE B 86 . ? LEU H 85 ILE H 90 -B 2 ALA B 101 . LEU B 105 . ? ALA H 104 LEU H 108 -C 1 LYS B 135 . GLY B 140 . ? LYS H 135 GLY H 140 -C 2 GLN B 161 . PRO B 166 . ? GLN H 156 PRO H 161 -D 1 MET B 185 . ALA B 188 . ? MET H 180 ALA H 183 -D 4 PRO B 208 . LYS B 212 . ? PRO H 198 LYS H 202 -D 3 TRP B 219 . TRP B 227 . ? TRP H 207 TRP H 215 -D 2 GLY B 238 . HIS B 242 . ? GLY H 226 HIS H 230 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details tetrameric -_pdbx_struct_assembly.oligomeric_count 4 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I +_citation.book_publisher +_citation.country +_citation.id +_citation.journal_abbrev +_citation.journal_id_ASTM +_citation.journal_id_CSD +_citation.journal_id_ISSN +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.title +_citation.year +_citation.pdbx_database_id_DOI +_citation.pdbx_database_id_PubMed +? US primary J.Am.Chem.Soc. JACSAT 4 0002-7863 120 597 ? 'Structure of Thrombin Inhibited by Aeruginosin 298-A from a Blue-Green Alga' 1998 ? -1 +? UK 1 'Tetrahedron Lett.' TELEAY 24 0040-4039 35 3129 ? 'Aeruginosin 298-A, a Thrombin and Trypsin Inhibitor from the Blue-Green Alga Microcystis Aeruginosa (Nies-298)' 1994 ? ? +? UK 2 J.Mol.Biol. JMOBAK 70 0022-2836 221 583 ? 'Refined Structure of the Hirudin-Thrombin Complex' 1991 ? ? +? US 3 Science SCIEAS 38 0036-8075 249 277 ? 'The Structure of a Complex of Recombinant Hirudin and Human Alpha-Thrombin' 1990 ? ? # -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1 -_pdbx_struct_oper_list.matrix[1][2] 0 -_pdbx_struct_oper_list.matrix[1][3] 0 -_pdbx_struct_oper_list.vector[1] 0 -_pdbx_struct_oper_list.matrix[2][1] 0 -_pdbx_struct_oper_list.matrix[2][2] 1 -_pdbx_struct_oper_list.matrix[2][3] 0 -_pdbx_struct_oper_list.vector[2] 0 -_pdbx_struct_oper_list.matrix[3][1] 0 -_pdbx_struct_oper_list.matrix[3][2] 0 -_pdbx_struct_oper_list.matrix[3][3] 1 -_pdbx_struct_oper_list.vector[3] 0 +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Steiner, J.L.R.' 1 +primary 'Murakami, M.' 2 +primary 'Tulinsky, A.' 3 +1 'Murakami, M.' 4 +1 'Okita, Y.' 5 +1 'Matsuda, H.' 6 +1 'Okino, T.' 7 +1 'Yamaguchi, K.' 8 +2 'Rydel, T.J.' 9 +2 'Tulinsky, A.' 10 +2 'Bode, W.' 11 +2 'Huber, R.' 12 +3 'Rydel, T.J.' 13 +3 'Ravichandran, K.G.' 14 +3 'Tulinsky, A.' 15 +3 'Bode, W.' 16 +3 'Huber, R.' 17 +3 'Roitsch, C.' 18 +3 'Fenton II, J.W.' 19 # +_cell.angle_alpha 90 +_cell.angle_beta 100.93 +_cell.angle_gamma 90 _cell.entry_id 1A2C _cell.length_a 71.97 _cell.length_b 72.48 _cell.length_c 72.24 -_cell.angle_alpha 90 -_cell.angle_beta 100.93 -_cell.angle_gamma 90 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 1A2C -_symmetry.space_group_name_H-M 'C 1 2 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 5 -_symmetry.space_group_name_Hall ? +_symmetry.entry_id 1A2C +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 5 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'C 1 2 1' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 4096.534 1 nat polymer 'Thrombin light chain' 1 ? ? 3.4.21.5 +? 29780.219 2 nat polymer 'Thrombin heavy chain' 1 ? ? 3.4.21.5 +? 1534.554 3 man polymer 'Hirudin variant-2' 1 ? 'UNP residues 60-71' ? +? 604.737 4 nat polymer 'Aeruginosin 298-A' 1 ? ? ? +? 22.99 5 syn non-polymer 'SODIUM ION' 1 ? ? ? +? 18.015 6 nat water water 176 ? ? ? # loop_ _entity_poly.entity_id -_entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer +_entity_poly.type +_entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -1 polypeptide(L) no no TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR L -2 polypeptide(L) no no +_entity_poly.pdbx_target_identifier +1 no no polypeptide(L) L TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR ? +2 no no polypeptide(L) H ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE -; +; ;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY THVFRLKKWIQKVIDQFGE -; -H -3 polypeptide(L) no yes NGDFEEIPEE(TYS)L NGDFEEIPEEYL I -4 polypeptide(L) no yes (34H)L(PRJ)(OAR) XLXR J +; +? +3 no yes polypeptide(L) I NGDFEEIPEE(TYS)L NGDFEEIPEEYL ? +4 no yes polypeptide(L) J (34H)L(PRJ)(OAR) XLXR ? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 THR n -1 2 PHE n -1 3 GLY n -1 4 SER n -1 5 GLY n -1 6 GLU n -1 7 ALA n -1 8 ASP n -1 9 CYS n -1 10 GLY n -1 11 LEU n -1 12 ARG n -1 13 PRO n -1 14 LEU n -1 15 PHE n -1 16 GLU n -1 17 LYS n -1 18 LYS n -1 19 SER n -1 20 LEU n -1 21 GLU n -1 22 ASP n -1 23 LYS n -1 24 THR n -1 25 GLU n -1 26 ARG n -1 27 GLU n -1 28 LEU n -1 29 LEU n -1 30 GLU n -1 31 SER n -1 32 TYR n -1 33 ILE n -1 34 ASP n -1 35 GLY n -1 36 ARG n -2 1 ILE n -2 2 VAL n -2 3 GLU n -2 4 GLY n -2 5 SER n -2 6 ASP n -2 7 ALA n -2 8 GLU n -2 9 ILE n -2 10 GLY n -2 11 MET n -2 12 SER n -2 13 PRO n -2 14 TRP n -2 15 GLN n -2 16 VAL n -2 17 MET n -2 18 LEU n -2 19 PHE n -2 20 ARG n -2 21 LYS n -2 22 SER n -2 23 PRO n -2 24 GLN n -2 25 GLU n -2 26 LEU n -2 27 LEU n -2 28 CYS n -2 29 GLY n -2 30 ALA n -2 31 SER n -2 32 LEU n -2 33 ILE n -2 34 SER n -2 35 ASP n -2 36 ARG n -2 37 TRP n -2 38 VAL n -2 39 LEU n -2 40 THR n -2 41 ALA n -2 42 ALA n -2 43 HIS n -2 44 CYS n -2 45 LEU n -2 46 LEU n -2 47 TYR n -2 48 PRO n -2 49 PRO n -2 50 TRP n -2 51 ASP n -2 52 LYS n -2 53 ASN n -2 54 PHE n -2 55 THR n -2 56 GLU n -2 57 ASN n -2 58 ASP n -2 59 LEU n -2 60 LEU n -2 61 VAL n -2 62 ARG n -2 63 ILE n -2 64 GLY n -2 65 LYS n -2 66 HIS n -2 67 SER n -2 68 ARG n -2 69 THR n -2 70 ARG n -2 71 TYR n -2 72 GLU n -2 73 ARG n -2 74 ASN n -2 75 ILE n -2 76 GLU n -2 77 LYS n -2 78 ILE n -2 79 SER n -2 80 MET n -2 81 LEU n -2 82 GLU n -2 83 LYS n -2 84 ILE n -2 85 TYR n -2 86 ILE n -2 87 HIS n -2 88 PRO n -2 89 ARG n -2 90 TYR n -2 91 ASN n -2 92 TRP n -2 93 ARG n -2 94 GLU n -2 95 ASN n -2 96 LEU n -2 97 ASP n -2 98 ARG n -2 99 ASP n -2 100 ILE n -2 101 ALA n -2 102 LEU n -2 103 MET n -2 104 LYS n -2 105 LEU n -2 106 LYS n -2 107 LYS n -2 108 PRO n -2 109 VAL n -2 110 ALA n -2 111 PHE n -2 112 SER n -2 113 ASP n -2 114 TYR n -2 115 ILE n -2 116 HIS n -2 117 PRO n -2 118 VAL n -2 119 CYS n -2 120 LEU n -2 121 PRO n -2 122 ASP n -2 123 ARG n -2 124 GLU n -2 125 THR n -2 126 ALA n -2 127 ALA n -2 128 SER n -2 129 LEU n -2 130 LEU n -2 131 GLN n -2 132 ALA n -2 133 GLY n -2 134 TYR n -2 135 LYS n -2 136 GLY n -2 137 ARG n -2 138 VAL n -2 139 THR n -2 140 GLY n -2 141 TRP n -2 142 GLY n -2 143 ASN n -2 144 LEU n -2 145 LYS n -2 146 GLU n -2 147 THR n -2 148 TRP n -2 149 THR n -2 150 ALA n -2 151 ASN n -2 152 VAL n -2 153 GLY n -2 154 LYS n -2 155 GLY n -2 156 GLN n -2 157 PRO n -2 158 SER n -2 159 VAL n -2 160 LEU n -2 161 GLN n -2 162 VAL n -2 163 VAL n -2 164 ASN n -2 165 LEU n -2 166 PRO n -2 167 ILE n -2 168 VAL n -2 169 GLU n -2 170 ARG n -2 171 PRO n -2 172 VAL n -2 173 CYS n -2 174 LYS n -2 175 ASP n -2 176 SER n -2 177 THR n -2 178 ARG n -2 179 ILE n -2 180 ARG n -2 181 ILE n -2 182 THR n -2 183 ASP n -2 184 ASN n -2 185 MET n -2 186 PHE n -2 187 CYS n -2 188 ALA n -2 189 GLY n -2 190 TYR n -2 191 LYS n -2 192 PRO n -2 193 ASP n -2 194 GLU n -2 195 GLY n -2 196 LYS n -2 197 ARG n -2 198 GLY n -2 199 ASP n -2 200 ALA n -2 201 CYS n -2 202 GLU n -2 203 GLY n -2 204 ASP n -2 205 SER n -2 206 GLY n -2 207 GLY n -2 208 PRO n -2 209 PHE n -2 210 VAL n -2 211 MET n -2 212 LYS n -2 213 SER n -2 214 PRO n -2 215 PHE n -2 216 ASN n -2 217 ASN n -2 218 ARG n -2 219 TRP n -2 220 TYR n -2 221 GLN n -2 222 MET n -2 223 GLY n -2 224 ILE n -2 225 VAL n -2 226 SER n -2 227 TRP n -2 228 GLY n -2 229 GLU n -2 230 GLY n -2 231 CYS n -2 232 ASP n -2 233 ARG n -2 234 ASP n -2 235 GLY n -2 236 LYS n -2 237 TYR n -2 238 GLY n -2 239 PHE n -2 240 TYR n -2 241 THR n -2 242 HIS n -2 243 VAL n -2 244 PHE n -2 245 ARG n -2 246 LEU n -2 247 LYS n -2 248 LYS n -2 249 TRP n -2 250 ILE n -2 251 GLN n -2 252 LYS n -2 253 VAL n -2 254 ILE n -2 255 ASP n -2 256 GLN n -2 257 PHE n -2 258 GLY n -2 259 GLU n -3 1 ASN n -3 2 GLY n -3 3 ASP n -3 4 PHE n -3 5 GLU n -3 6 GLU n -3 7 ILE n -3 8 PRO n -3 9 GLU n -3 10 GLU n -3 11 TYS n -3 12 LEU n -4 1 34H n -4 2 LEU n -4 3 PRJ n -4 4 OAR n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n THR 1 +1 n PHE 2 +1 n GLY 3 +1 n SER 4 +1 n GLY 5 +1 n GLU 6 +1 n ALA 7 +1 n ASP 8 +1 n CYS 9 +1 n GLY 10 +1 n LEU 11 +1 n ARG 12 +1 n PRO 13 +1 n LEU 14 +1 n PHE 15 +1 n GLU 16 +1 n LYS 17 +1 n LYS 18 +1 n SER 19 +1 n LEU 20 +1 n GLU 21 +1 n ASP 22 +1 n LYS 23 +1 n THR 24 +1 n GLU 25 +1 n ARG 26 +1 n GLU 27 +1 n LEU 28 +1 n LEU 29 +1 n GLU 30 +1 n SER 31 +1 n TYR 32 +1 n ILE 33 +1 n ASP 34 +1 n GLY 35 +1 n ARG 36 +2 n ILE 1 +2 n VAL 2 +2 n GLU 3 +2 n GLY 4 +2 n SER 5 +2 n ASP 6 +2 n ALA 7 +2 n GLU 8 +2 n ILE 9 +2 n GLY 10 +2 n MET 11 +2 n SER 12 +2 n PRO 13 +2 n TRP 14 +2 n GLN 15 +2 n VAL 16 +2 n MET 17 +2 n LEU 18 +2 n PHE 19 +2 n ARG 20 +2 n LYS 21 +2 n SER 22 +2 n PRO 23 +2 n GLN 24 +2 n GLU 25 +2 n LEU 26 +2 n LEU 27 +2 n CYS 28 +2 n GLY 29 +2 n ALA 30 +2 n SER 31 +2 n LEU 32 +2 n ILE 33 +2 n SER 34 +2 n ASP 35 +2 n ARG 36 +2 n TRP 37 +2 n VAL 38 +2 n LEU 39 +2 n THR 40 +2 n ALA 41 +2 n ALA 42 +2 n HIS 43 +2 n CYS 44 +2 n LEU 45 +2 n LEU 46 +2 n TYR 47 +2 n PRO 48 +2 n PRO 49 +2 n TRP 50 +2 n ASP 51 +2 n LYS 52 +2 n ASN 53 +2 n PHE 54 +2 n THR 55 +2 n GLU 56 +2 n ASN 57 +2 n ASP 58 +2 n LEU 59 +2 n LEU 60 +2 n VAL 61 +2 n ARG 62 +2 n ILE 63 +2 n GLY 64 +2 n LYS 65 +2 n HIS 66 +2 n SER 67 +2 n ARG 68 +2 n THR 69 +2 n ARG 70 +2 n TYR 71 +2 n GLU 72 +2 n ARG 73 +2 n ASN 74 +2 n ILE 75 +2 n GLU 76 +2 n LYS 77 +2 n ILE 78 +2 n SER 79 +2 n MET 80 +2 n LEU 81 +2 n GLU 82 +2 n LYS 83 +2 n ILE 84 +2 n TYR 85 +2 n ILE 86 +2 n HIS 87 +2 n PRO 88 +2 n ARG 89 +2 n TYR 90 +2 n ASN 91 +2 n TRP 92 +2 n ARG 93 +2 n GLU 94 +2 n ASN 95 +2 n LEU 96 +2 n ASP 97 +2 n ARG 98 +2 n ASP 99 +2 n ILE 100 +2 n ALA 101 +2 n LEU 102 +2 n MET 103 +2 n LYS 104 +2 n LEU 105 +2 n LYS 106 +2 n LYS 107 +2 n PRO 108 +2 n VAL 109 +2 n ALA 110 +2 n PHE 111 +2 n SER 112 +2 n ASP 113 +2 n TYR 114 +2 n ILE 115 +2 n HIS 116 +2 n PRO 117 +2 n VAL 118 +2 n CYS 119 +2 n LEU 120 +2 n PRO 121 +2 n ASP 122 +2 n ARG 123 +2 n GLU 124 +2 n THR 125 +2 n ALA 126 +2 n ALA 127 +2 n SER 128 +2 n LEU 129 +2 n LEU 130 +2 n GLN 131 +2 n ALA 132 +2 n GLY 133 +2 n TYR 134 +2 n LYS 135 +2 n GLY 136 +2 n ARG 137 +2 n VAL 138 +2 n THR 139 +2 n GLY 140 +2 n TRP 141 +2 n GLY 142 +2 n ASN 143 +2 n LEU 144 +2 n LYS 145 +2 n GLU 146 +2 n THR 147 +2 n TRP 148 +2 n THR 149 +2 n ALA 150 +2 n ASN 151 +2 n VAL 152 +2 n GLY 153 +2 n LYS 154 +2 n GLY 155 +2 n GLN 156 +2 n PRO 157 +2 n SER 158 +2 n VAL 159 +2 n LEU 160 +2 n GLN 161 +2 n VAL 162 +2 n VAL 163 +2 n ASN 164 +2 n LEU 165 +2 n PRO 166 +2 n ILE 167 +2 n VAL 168 +2 n GLU 169 +2 n ARG 170 +2 n PRO 171 +2 n VAL 172 +2 n CYS 173 +2 n LYS 174 +2 n ASP 175 +2 n SER 176 +2 n THR 177 +2 n ARG 178 +2 n ILE 179 +2 n ARG 180 +2 n ILE 181 +2 n THR 182 +2 n ASP 183 +2 n ASN 184 +2 n MET 185 +2 n PHE 186 +2 n CYS 187 +2 n ALA 188 +2 n GLY 189 +2 n TYR 190 +2 n LYS 191 +2 n PRO 192 +2 n ASP 193 +2 n GLU 194 +2 n GLY 195 +2 n LYS 196 +2 n ARG 197 +2 n GLY 198 +2 n ASP 199 +2 n ALA 200 +2 n CYS 201 +2 n GLU 202 +2 n GLY 203 +2 n ASP 204 +2 n SER 205 +2 n GLY 206 +2 n GLY 207 +2 n PRO 208 +2 n PHE 209 +2 n VAL 210 +2 n MET 211 +2 n LYS 212 +2 n SER 213 +2 n PRO 214 +2 n PHE 215 +2 n ASN 216 +2 n ASN 217 +2 n ARG 218 +2 n TRP 219 +2 n TYR 220 +2 n GLN 221 +2 n MET 222 +2 n GLY 223 +2 n ILE 224 +2 n VAL 225 +2 n SER 226 +2 n TRP 227 +2 n GLY 228 +2 n GLU 229 +2 n GLY 230 +2 n CYS 231 +2 n ASP 232 +2 n ARG 233 +2 n ASP 234 +2 n GLY 235 +2 n LYS 236 +2 n TYR 237 +2 n GLY 238 +2 n PHE 239 +2 n TYR 240 +2 n THR 241 +2 n HIS 242 +2 n VAL 243 +2 n PHE 244 +2 n ARG 245 +2 n LEU 246 +2 n LYS 247 +2 n LYS 248 +2 n TRP 249 +2 n ILE 250 +2 n GLN 251 +2 n LYS 252 +2 n VAL 253 +2 n ILE 254 +2 n ASP 255 +2 n GLN 256 +2 n PHE 257 +2 n GLY 258 +2 n GLU 259 +3 n ASN 1 +3 n GLY 2 +3 n ASP 3 +3 n PHE 4 +3 n GLU 5 +3 n GLU 6 +3 n ILE 7 +3 n PRO 8 +3 n GLU 9 +3 n GLU 10 +3 n TYS 11 +3 n LEU 12 +4 n 34H 1 +4 n LEU 2 +4 n PRJ 3 +4 n OAR 4 # loop_ +_entity_src_nat.entity_id +_entity_src_nat.pdbx_organism_scientific +_entity_src_nat.pdbx_plasmid_name +_entity_src_nat.pdbx_src_id +_entity_src_nat.pdbx_beg_seq_num +_entity_src_nat.pdbx_end_seq_num +1 'Homo sapiens' ? 1 ? ? +2 'Homo sapiens' ? 1 ? ? +3 'Hirudo medicinalis' ? 1 ? ? +4 'Microcystis aeruginosa' ? 1 ? ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_db_isoform +1 UNP THRB_HUMAN 1 P00734 328 TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR . +2 UNP THRB_HUMAN 2 P00734 364 +;IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISM +LEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVL +QVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFY +THVFRLKKWIQKVIDQFGE +; +. +3 UNP HIRV2_HIRME 3 P09945 60 NGDFEEIPEEYL . +4 PDB 1A2C 4 1A2C 1 XLPX . +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1A2C L 1 H 36 . P00734 328 . 363 . 1 15 +2 2 1A2C H 1 . 259 . P00734 364 . 622 . 16 247 +3 3 1A2C I 1 . 12 . P09945 60 . 71 . 353 364 +4 4 1A2C J 1 . 4 . 1A2C 1 . 4 . 1 4 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C9 H10 O4' 182.173 34H . '(2R)-2-HYDROXY-3-(4-HYDROXYPHENYL)PROPANOIC ACID' non-polymer ? +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? +'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? +'Na 1' 22.99 NA . 'SODIUM ION' non-polymer ? +'C6 H16 N4 O' 160.217 OAR n N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE peptide-like ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C9 H15 N O3' 185.22 PRJ n '(2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid' 'l-peptide linking' ? +'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? +'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C9 H11 N O6 S' 261.252 TYS n O-SULFO-L-TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? +# +_exptl.entry_id 1A2C +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 2.61 +_exptl_crystal.density_percent_sol 52.89 +_exptl_crystal.description . +_exptl_crystal.F_000 . +_exptl_crystal.preparation . +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method . +_exptl_crystal_grow.temp . +_exptl_crystal_grow.temp_details . +_exptl_crystal_grow.pH 7.300000000000001 +_exptl_crystal_grow.pdbx_pH_range . +_exptl_crystal_grow.pdbx_details 'pH 7.3' +# +_diffrn.id 1 +_diffrn.ambient_temp 287 +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type RIGAKU +_diffrn_detector.pdbx_collection_date 1995-03 +_diffrn_detector.details 'NO MIRRORS' +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'NI FILTER' +_diffrn_radiation.pdbx_diffrn_protocol . +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.5417999999999998 +_diffrn_radiation_wavelength.wt 1 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source 'ROTATING ANODE' +_diffrn_source.type 'RIGAKU RUH2R' +_diffrn_source.pdbx_synchrotron_site . +_diffrn_source.pdbx_synchrotron_beamline . +_diffrn_source.pdbx_wavelength 1.5417999999999998 +_diffrn_source.pdbx_wavelength_list . +# +_reflns.entry_id 1A2C +_reflns.observed_criterion_sigma_I 2 +_reflns.observed_criterion_sigma_F . +_reflns.d_resolution_low 15 +_reflns.d_resolution_high 2.1 +_reflns.number_obs 15999 +_reflns.number_all . +_reflns.percent_possible_obs 70 +_reflns.pdbx_Rmerge_I_obs 0.082 +_reflns.pdbx_Rsym_value . +_reflns.pdbx_netI_over_sigmaI 8 +_reflns.B_iso_Wilson_estimate 29.6 +_reflns.pdbx_redundancy 3.3000000000000003 +_reflns.R_free_details . +_reflns.limit_h_max . +_reflns.limit_h_min . +_reflns.limit_k_max . +_reflns.limit_k_min . +_reflns.limit_l_max . +_reflns.limit_l_min . +_reflns.observed_criterion_F_max . +_reflns.observed_criterion_F_min . +_reflns.pdbx_chi_squared . +_reflns.pdbx_scaling_rejects . +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_high 2.1 +_reflns_shell.d_res_low 2.25 +_reflns_shell.percent_possible_all 47 +_reflns_shell.Rmerge_I_obs 0.18 +_reflns_shell.pdbx_Rsym_value . +_reflns_shell.meanI_over_sigI_obs 2.4000000000000004 +_reflns_shell.pdbx_redundancy 2.5 +_reflns_shell.percent_possible_obs . +_reflns_shell.number_unique_all . +_reflns_shell.number_measured_all . +_reflns_shell.number_measured_obs . +_reflns_shell.number_unique_obs . +_reflns_shell.pdbx_chi_squared . +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_refine.entry_id 1A2C +_refine.ls_number_reflns_obs 15999 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F 2 +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 7 +_refine.ls_d_res_high 2.1 +_refine.ls_percent_reflns_obs 70 +_refine.ls_R_factor_obs . +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work 0.15 +_refine.ls_R_factor_R_free . +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free . +_refine.ls_number_reflns_R_free . +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.B_iso_mean 31.5 +_refine.aniso_B[1][1] . +_refine.aniso_B[2][2] . +_refine.aniso_B[3][3] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][3] . +_refine.solvent_model_details . +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_ls_cross_valid_method . +_refine.details . +_refine.pdbx_starting_model 'PDB ENTRY 1HGT' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_overall_ESU_R_Free . +_refine.overall_SU_ML . +_refine.overall_SU_B . +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_redundancy_reflns_obs . +_refine.pdbx_overall_phase_error . +_refine.B_iso_min . +_refine.B_iso_max . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.pdbx_solvent_vdw_probe_radii . +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii . +_refine.overall_SU_R_Cruickshank_DPI . +_refine.overall_SU_R_free . +_refine.ls_wR_factor_R_free . +_refine.ls_wR_factor_R_work . +_refine.overall_FOM_free_R_set . +_refine.overall_FOM_work_R_set . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 2452 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 1 +_refine_hist.number_atoms_solvent 176 +_refine_hist.number_atoms_total 2629 +_refine_hist.d_res_high 2.1 +_refine_hist.d_res_low 7 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +p_bond_d 0.018000000000000002 0.02 . . 'X-RAY DIFFRACTION' . +p_angle_d 0.04 0.044 . . 'X-RAY DIFFRACTION' . +p_angle_deg . . . . 'X-RAY DIFFRACTION' . +p_planar_d 0.06 0.068 . . 'X-RAY DIFFRACTION' . +p_hb_or_metal_coord . . . . 'X-RAY DIFFRACTION' . +p_mcbond_it 1.3 1.5 . . 'X-RAY DIFFRACTION' . +p_mcangle_it 2.14 2 . . 'X-RAY DIFFRACTION' . +p_scbond_it 2.66 2.5 . . 'X-RAY DIFFRACTION' . +p_scangle_it 3.8000000000000003 3 . . 'X-RAY DIFFRACTION' . +p_plane_restr 0.036000000000000004 0.04 . . 'X-RAY DIFFRACTION' . +p_chiral_restr 0.197 0.15 . . 'X-RAY DIFFRACTION' . +p_singtor_nbd 0.25 0.6 . . 'X-RAY DIFFRACTION' . +p_multtor_nbd 0.34500000000000003 0.6 . . 'X-RAY DIFFRACTION' . +p_xhyhbond_nbd . . . . 'X-RAY DIFFRACTION' . +p_xyhbond_nbd 0.323 0.6 . . 'X-RAY DIFFRACTION' . +p_planar_tor 3.1 3 . . 'X-RAY DIFFRACTION' . +p_staggered_tor 24 15 . . 'X-RAY DIFFRACTION' . +p_orthonormal_tor . . . . 'X-RAY DIFFRACTION' . +p_transverse_tor 31.900000000000002 20 . . 'X-RAY DIFFRACTION' . +p_special_tor . . . . 'X-RAY DIFFRACTION' . +# +_struct.entry_id 1A2C +_struct.title 'Structure of thrombin inhibited by AERUGINOSIN298-A from a BLUE-GREEN ALGA' +_struct.pdbx_descriptor 'Thrombin light and heavy chains (E.C.3.4.21.5), Hirudin variant-2' +# +_struct_keywords.entry_id 1A2C +_struct_keywords.text 'HYDROLASE,SERINE PROTEASE,Hydrolase-Hydrolase Inhibitor complex' +_struct_keywords.pdbx_keywords 'Hydrolase/Hydrolase Inhibitor' +# +loop_ +_struct_asym.details +_struct_asym.entity_id _struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' -C N Y 3 'Might not contain all original atoms depending on the query used' -D N Y 4 'Might not contain all original atoms depending on the query used' -E N Y 5 'Might not contain all original atoms depending on the query used' -F N Y 6 'Might not contain all original atoms depending on the query used' -G N Y 6 'Might not contain all original atoms depending on the query used' -H N Y 6 'Might not contain all original atoms depending on the query used' -I N Y 6 'Might not contain all original atoms depending on the query used' +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +? 3 C N N +? 4 D N N +? 5 E N N +? 6 F N N +? 6 G N N +? 6 H N N +? 6 I N N +# +_struct_biol.id 1 +_struct_biol.details . +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_entity_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_auth_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.end_label_asym_id +_struct_conf.end_label_entity_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_auth_asym_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +helx_p helx_p1 GLU 16 . A 1 GLU 8 L LYS 18 . A 1 LYS 10 L 5 ? 3 +helx_p helx_p2 GLU 25 C A 1 GLU 14 L SER 31 I A 1 SER 14 L 1 ? 7 +helx_p helx_p3 ALA 42 . B 2 ALA 56 H CYS 44 . B 2 CYS 58 H 5 ? 3 +helx_p helx_p4 PRO 48 B B 2 PRO 60 H TRP 50 D B 2 TRP 60 H 5 ? 3 +helx_p helx_p5 GLU 56 . B 2 GLU 61 H ASP 58 . B 2 ASP 63 H 5 ? 3 +helx_p helx_p6 ARG 123 . B 2 ARG 126 H LEU 129 C B 2 LEU 129 H 1 ? 7 +helx_p helx_p7 ARG 170 . B 2 ARG 165 H SER 176 . B 2 SER 171 H 1 ? 7 +helx_p helx_p8 PHE 244 . B 2 PHE 232 H PHE 257 . B 2 PHE 245 H 5 ? 14 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . # loop_ -_struct_conn.id _struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id +_struct_conn.details +_struct_conn.id _struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details +_struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order -disulf1 disulf ? A CYS 9 SG ? ? ? 1_555 B CYS 119 SG ? ? L CYS 1 H CYS 122 1_555 ? ? ? ? ? ? ? 2.006 ? -disulf2 disulf ? B CYS 28 SG ? ? ? 1_555 B CYS 44 SG ? ? H CYS 42 H CYS 58 1_555 ? ? ? ? ? ? ? 2.203 ? -disulf3 disulf ? B CYS 173 SG ? ? ? 1_555 B CYS 187 SG ? ? H CYS 168 H CYS 182 1_555 ? ? ? ? ? ? ? 1.992 ? -disulf4 disulf ? B CYS 201 SG ? ? ? 1_555 B CYS 231 SG ? ? H CYS 191 H CYS 220 1_555 ? ? ? ? ? ? ? 2.013 ? -covale1 covale ? C TYS 11 N ? ? ? 1_555 C GLU 10 C ? ? I TYS 363 I GLU 362 1_555 ? ? ? ? ? ? ? 1.334 ? -covale2 covale ? C TYS 11 C ? ? ? 1_555 C LEU 12 N ? ? I TYS 363 I LEU 364 1_555 ? ? ? ? ? ? ? 1.293 ? -metalc1 metalc ? E NA . NA ? ? ? 1_555 B LYS 236 O ? ? H NA 626 H LYS 224 1_555 ? ? ? ? ? ? ? 2.335 ? -metalc2 metalc ? E NA . NA ? ? ? 1_555 B ARG 233 O ? A H NA 626 H ARG 221 1_555 ? ? ? ? ? ? ? 2.565 ? -metalc3 metalc ? E NA . NA ? ? ? 1_555 G HOH . O ? ? H NA 626 H HOH 503 1_555 ? ? ? ? ? ? ? 2.929 ? -covale3 covale ? D LEU 2 C ? ? ? 1_555 D PRJ 3 N ? ? J LEU 2 J PRJ 3 1_555 ? ? ? ? ? ? ? 1.335 ? -covale4 covale ? D 34H 1 C1 ? ? ? 1_555 D LEU 2 N ? ? J 34H 1 J LEU 2 1_555 ? ? ? ? ? ? ? 1.325 ? -covale5 covale ? D PRJ 3 C ? ? ? 1_555 D OAR 4 N1 ? ? J PRJ 3 J OAR 4 1_555 ? ? ? ? ? ? ? 1.335 ? +disulf ? disulf1 A SG CYS 9 L CYS 1 1_555 B SG CYS 119 H CYS 122 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.006 ? +disulf ? disulf2 B SG CYS 28 H CYS 42 1_555 B SG CYS 44 H CYS 58 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.203 ? +disulf ? disulf3 B SG CYS 173 H CYS 168 1_555 B SG CYS 187 H CYS 182 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.992 ? +disulf ? disulf4 B SG CYS 201 H CYS 191 1_555 B SG CYS 231 H CYS 220 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.013 ? +covale ? covale1 C N TYS 11 I TYS 363 1_555 C C GLU 10 I GLU 362 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.334 ? +covale ? covale2 C C TYS 11 I TYS 363 1_555 C N LEU 12 I LEU 364 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.293 ? +metalc ? metalc1 E NA NA . H NA 626 1_555 B O LYS 236 H LYS 224 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.335 ? +metalc ? metalc2 E NA NA . H NA 626 1_555 B O ARG 233 H ARG 221 1_555 ? ? ? A ? ? ? ? ? ? ? ? 2.565 ? +metalc ? metalc3 E NA NA . H NA 626 1_555 G O HOH . H HOH 503 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.929 ? +covale ? covale3 D C LEU 2 J LEU 2 1_555 D N PRJ 3 J PRJ 3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.335 ? +covale ? covale4 D C1 34H 1 J 34H 1 1_555 D N LEU 2 J LEU 2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.325 ? +covale ? covale5 D C PRJ 3 J PRJ 3 1_555 D N1 OAR 4 J OAR 4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.335 ? # loop_ -_struct_conn_type.id _struct_conn_type.criteria +_struct_conn_type.id _struct_conn_type.reference -disulf ? ? -covale ? ? -metalc ? ? +? disulf ? +? covale ? +? metalc ? +# +_struct_mon_prot_cis.pdbx_id 1 +_struct_mon_prot_cis.label_comp_id SER +_struct_mon_prot_cis.label_seq_id 22 +_struct_mon_prot_cis.label_asym_id B +_struct_mon_prot_cis.label_alt_id . +_struct_mon_prot_cis.pdbx_PDB_ins_code A +_struct_mon_prot_cis.auth_comp_id SER +_struct_mon_prot_cis.auth_seq_id 36 +_struct_mon_prot_cis.auth_asym_id H +_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_label_seq_id_2 23 +_struct_mon_prot_cis.pdbx_label_asym_id_2 B +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 . +_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_auth_seq_id_2 37 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 H +_struct_mon_prot_cis.pdbx_PDB_model_num 1 +_struct_mon_prot_cis.pdbx_omega_angle -2.16 # loop_ -_pdbx_struct_mod_residue.id -_pdbx_struct_mod_residue.label_asym_id -_pdbx_struct_mod_residue.label_seq_id -_pdbx_struct_mod_residue.label_comp_id -_pdbx_struct_mod_residue.auth_asym_id -_pdbx_struct_mod_residue.auth_seq_id -_pdbx_struct_mod_residue.auth_comp_id -_pdbx_struct_mod_residue.PDB_ins_code -_pdbx_struct_mod_residue.parent_comp_id -_pdbx_struct_mod_residue.details -1 C 11 TYS I 363 TYS . TYR O-SULFO-L-TYROSINE -2 D 3 PRJ J 3 PRJ . PRO ? -3 D 4 OAR J 4 OAR . ARG N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A . 4 . +B . 3 . +C . 2 . +D . 4 . +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 . anti-parallel +A 2 3 . anti-parallel +A 3 4 . anti-parallel +B 1 2 . anti-parallel +B 2 3 . anti-parallel +C 1 2 . anti-parallel +D 1 2 . anti-parallel +D 2 3 . anti-parallel +D 3 4 . anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_entity_id +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_entity_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_seq_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.symmetry +A 1 GLN 15 . B 2 GLN 30 H ARG 20 . B 2 ARG 35 H ? +A 2 GLU 25 . B 2 GLU 39 H SER 31 . B 2 SER 45 H ? +A 3 LEU 59 . B 2 LEU 64 H ILE 63 . B 2 ILE 68 H ? +A 4 LYS 77 . B 2 LYS 81 H SER 79 . B 2 SER 83 H ? +B 5 TRP 37 . B 2 TRP 51 H THR 40 . B 2 THR 54 H ? +B 6 LEU 81 . B 2 LEU 85 H ILE 86 . B 2 ILE 90 H ? +B 7 ALA 101 . B 2 ALA 104 H LEU 105 . B 2 LEU 108 H ? +C 8 LYS 135 . B 2 LYS 135 H GLY 140 . B 2 GLY 140 H ? +C 9 GLN 161 . B 2 GLN 156 H PRO 166 . B 2 PRO 161 H ? +D 10 MET 185 . B 2 MET 180 H ALA 188 . B 2 ALA 183 H ? +D 11 PRO 208 . B 2 PRO 198 H LYS 212 . B 2 LYS 202 H ? +D 12 TRP 219 . B 2 TRP 207 H TRP 227 . B 2 TRP 215 H ? +D 13 GLY 238 . B 2 GLY 226 H HIS 242 . B 2 HIS 230 H ? +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O LYS B 77 . O LYS H 81 N ILE B 63 . N ILE H 68 +A 2 3 O LEU B 60 . O LEU H 65 N PHE B 19 . N PHE H 34 +A 3 4 O VAL B 16 . O VAL H 31 N ALA B 30 . N ALA H 44 +B 1 2 O VAL B 38 . O VAL H 52 N MET B 103 . N MET H 106 +B 2 3 O LEU B 102 . O LEU H 105 N TYR B 85 . N TYR H 89 +C 1 2 O GLY B 136 . O GLY H 136 N LEU B 165 . N LEU H 160 +D 1 2 O PHE B 186 . O PHE H 181 N TYR B 240 . N TYR H 228 +D 2 3 O PHE B 239 . O PHE H 227 N TRP B 227 . N TRP H 215 +D 3 4 O TYR B 220 . O TYR H 208 N MET B 211 . N MET H 201 +# +loop_ +_struct_site.details +_struct_site.id +_struct_site.pdbx_num_residues +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +'BINDING SITE FOR RESIDUE NA H 626' AC1 3 Software ? ? ? ? +'BINDING SITE FOR CHAIN I OF HIRUDIN VARIANT-2' AC2 14 Software ? ? ? ? +'BINDING SITE FOR CHAIN J OF AERUGINOSIN 298-A' AC3 16 Software ? ? ? ? # loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -34H N 1 N C1 O1 DOUB -34H N 2 N C1 C2 SING -34H N 3 N C1 O2 SING -34H N 4 N C2 O4 SING -34H N 5 N C2 C3 SING -34H N 6 N C3 C4 SING -34H N 7 Y C4 C9 SING -34H N 8 Y C4 C5 DOUB -34H N 9 Y C7 C8 SING -34H N 10 Y C7 C6 DOUB -34H N 11 N C7 O3 SING -34H N 12 Y C9 C8 DOUB -34H N 13 Y C5 C6 SING -34H N 14 N C2 H2 SING -34H N 15 N O2 HO2 SING -34H N 16 N O4 H4 SING -34H N 17 N C3 H31 SING -34H N 18 N C3 H32 SING -34H N 19 N C9 H9 SING -34H N 20 N C5 H5 SING -34H N 21 N C8 H8 SING -34H N 22 N C6 H6 SING -34H N 23 N O3 HO3 SING -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ARG N 1 N N CA SING -ARG N 2 N N H SING -ARG N 3 N N H2 SING -ARG N 4 N CA C SING -ARG N 5 N CA CB SING -ARG N 6 N CA HA SING -ARG N 7 N C O DOUB -ARG N 8 N C OXT SING -ARG N 9 N CB CG SING -ARG N 10 N CB HB2 SING -ARG N 11 N CB HB3 SING -ARG N 12 N CG CD SING -ARG N 13 N CG HG2 SING -ARG N 14 N CG HG3 SING -ARG N 15 N CD NE SING -ARG N 16 N CD HD2 SING -ARG N 17 N CD HD3 SING -ARG N 18 N NE CZ SING -ARG N 19 N NE HE SING -ARG N 20 N CZ NH1 SING -ARG N 21 N CZ NH2 DOUB -ARG N 22 N NH1 HH11 SING -ARG N 23 N NH1 HH12 SING -ARG N 24 N NH2 HH21 SING -ARG N 25 N NH2 HH22 SING -ARG N 26 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -ASP N 1 N N CA SING -ASP N 2 N N H SING -ASP N 3 N N H2 SING -ASP N 4 N CA C SING -ASP N 5 N CA CB SING -ASP N 6 N CA HA SING -ASP N 7 N C O DOUB -ASP N 8 N C OXT SING -ASP N 9 N CB CG SING -ASP N 10 N CB HB2 SING -ASP N 11 N CB HB3 SING -ASP N 12 N CG OD1 DOUB -ASP N 13 N CG OD2 SING -ASP N 14 N OD2 HD2 SING -ASP N 15 N OXT HXT SING -CYS N 1 N N CA SING -CYS N 2 N N H SING -CYS N 3 N N H2 SING -CYS N 4 N CA C SING -CYS N 5 N CA CB SING -CYS N 6 N CA HA SING -CYS N 7 N C O DOUB -CYS N 8 N C OXT SING -CYS N 9 N CB SG SING -CYS N 10 N CB HB2 SING -CYS N 11 N CB HB3 SING -CYS N 12 N SG HG SING -CYS N 13 N OXT HXT SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HIS N 1 N N CA SING -HIS N 2 N N H SING -HIS N 3 N N H2 SING -HIS N 4 N CA C SING -HIS N 5 N CA CB SING -HIS N 6 N CA HA SING -HIS N 7 N C O DOUB -HIS N 8 N C OXT SING -HIS N 9 N CB CG SING -HIS N 10 N CB HB2 SING -HIS N 11 N CB HB3 SING -HIS N 12 Y CG ND1 SING -HIS N 13 Y CG CD2 DOUB -HIS N 14 Y ND1 CE1 DOUB -HIS N 15 N ND1 HD1 SING -HIS N 16 Y CD2 NE2 SING -HIS N 17 N CD2 HD2 SING -HIS N 18 Y CE1 NE2 SING -HIS N 19 N CE1 HE1 SING -HIS N 20 N NE2 HE2 SING -HIS N 21 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -MET N 1 N N CA SING -MET N 2 N N H SING -MET N 3 N N H2 SING -MET N 4 N CA C SING -MET N 5 N CA CB SING -MET N 6 N CA HA SING -MET N 7 N C O DOUB -MET N 8 N C OXT SING -MET N 9 N CB CG SING -MET N 10 N CB HB2 SING -MET N 11 N CB HB3 SING -MET N 12 N CG SD SING -MET N 13 N CG HG2 SING -MET N 14 N CG HG3 SING -MET N 15 N SD CE SING -MET N 16 N CE HE1 SING -MET N 17 N CE HE2 SING -MET N 18 N CE HE3 SING -MET N 19 N OXT HXT SING -OAR N 1 N O C SING -OAR N 2 N C CA SING -OAR N 3 N CA N1 SING -OAR N 4 N CA CB SING -OAR N 5 N CB CG SING -OAR N 6 N CG CD SING -OAR N 7 N CD NE SING -OAR N 8 N NE CZ SING -OAR N 9 N CZ NH2 DOUB -OAR N 10 N CZ NH1 SING -OAR N 11 N O HO SING -OAR N 12 N N1 H SING -OAR N 13 N N1 H2 SING -OAR N 14 N NE HE SING -OAR N 15 N NH1 HH11 SING -OAR N 16 N NH1 HH12 SING -OAR N 17 N NH2 HH2 SING -OAR N 18 N CA HA SING -OAR N 19 N CB HB2 SING -OAR N 20 N CB HB3 SING -OAR N 21 N CG HG2 SING -OAR N 22 N CG HG3 SING -OAR N 23 N CD HD2 SING -OAR N 24 N CD HD3 SING -OAR N 25 N C HC1 SING -OAR N 26 N C HC2 SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -PRJ N 1 N O C DOUB -PRJ N 2 N CA N SING -PRJ N 3 N CD N SING -PRJ N 4 N N H SING -PRJ N 5 N C CA SING -PRJ N 6 N CB CA SING -PRJ N 7 N CA HA SING -PRJ N 8 N CB CG SING -PRJ N 9 N CB HB2 SING -PRJ N 10 N CB HB3 SING -PRJ N 11 N C11 CG SING -PRJ N 12 N CG CD SING -PRJ N 13 N CG HG2 SING -PRJ N 14 N C12 C11 SING -PRJ N 15 N C11 H11 SING -PRJ N 16 N C11 H11A SING -PRJ N 17 N C12 C13 SING -PRJ N 18 N C12 H12 SING -PRJ N 19 N C12 H12A SING -PRJ N 20 N C13 O2 SING -PRJ N 21 N C13 C14 SING -PRJ N 22 N C13 H13 SING -PRJ N 23 N C14 CD SING -PRJ N 24 N C14 H14 SING -PRJ N 25 N C14 H14A SING -PRJ N 26 N CD HD2 SING -PRJ N 27 N O2 HO2 SING -PRJ N 28 N C OXT SING -PRJ N 29 N OXT HXT SING -PRO N 1 N N CA SING -PRO N 2 N N CD SING -PRO N 3 N N H SING -PRO N 4 N CA C SING -PRO N 5 N CA CB SING -PRO N 6 N CA HA SING -PRO N 7 N C O DOUB -PRO N 8 N C OXT SING -PRO N 9 N CB CG SING -PRO N 10 N CB HB2 SING -PRO N 11 N CB HB3 SING -PRO N 12 N CG CD SING -PRO N 13 N CG HG2 SING -PRO N 14 N CG HG3 SING -PRO N 15 N CD HD2 SING -PRO N 16 N CD HD3 SING -PRO N 17 N OXT HXT SING -SER N 1 N N CA SING -SER N 2 N N H SING -SER N 3 N N H2 SING -SER N 4 N CA C SING -SER N 5 N CA CB SING -SER N 6 N CA HA SING -SER N 7 N C O DOUB -SER N 8 N C OXT SING -SER N 9 N CB OG SING -SER N 10 N CB HB2 SING -SER N 11 N CB HB3 SING -SER N 12 N OG HG SING -SER N 13 N OXT HXT SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TRP N 1 N N CA SING -TRP N 2 N N H SING -TRP N 3 N N H2 SING -TRP N 4 N CA C SING -TRP N 5 N CA CB SING -TRP N 6 N CA HA SING -TRP N 7 N C O DOUB -TRP N 8 N C OXT SING -TRP N 9 N CB CG SING -TRP N 10 N CB HB2 SING -TRP N 11 N CB HB3 SING -TRP N 12 Y CG CD1 DOUB -TRP N 13 Y CG CD2 SING -TRP N 14 Y CD1 NE1 SING -TRP N 15 N CD1 HD1 SING -TRP N 16 Y CD2 CE2 DOUB -TRP N 17 Y CD2 CE3 SING -TRP N 18 Y NE1 CE2 SING -TRP N 19 N NE1 HE1 SING -TRP N 20 Y CE2 CZ2 SING -TRP N 21 Y CE3 CZ3 DOUB -TRP N 22 N CE3 HE3 SING -TRP N 23 Y CZ2 CH2 DOUB -TRP N 24 N CZ2 HZ2 SING -TRP N 25 Y CZ3 CH2 SING -TRP N 26 N CZ3 HZ3 SING -TRP N 27 N CH2 HH2 SING -TRP N 28 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -TYS N 1 N N CA SING -TYS N 2 N N H SING -TYS N 3 N N HN2 SING -TYS N 4 N CA CB SING -TYS N 5 N CA C SING -TYS N 6 N CA HA SING -TYS N 7 N CB CG SING -TYS N 8 N CB HB2 SING -TYS N 9 N CB HB3 SING -TYS N 10 Y CG CD1 DOUB -TYS N 11 Y CG CD2 SING -TYS N 12 Y CD1 CE1 SING -TYS N 13 N CD1 HD1 SING -TYS N 14 Y CD2 CE2 DOUB -TYS N 15 N CD2 HD2 SING -TYS N 16 Y CE1 CZ DOUB -TYS N 17 N CE1 HE1 SING -TYS N 18 Y CE2 CZ SING -TYS N 19 N CE2 HE2 SING -TYS N 20 N CZ OH SING -TYS N 21 N OH S SING -TYS N 22 N S O1 DOUB -TYS N 23 N S O2 DOUB -TYS N 24 N S O3 SING -TYS N 25 N O3 HO3 SING -TYS N 26 N C O DOUB -TYS N 27 N C OXT SING -TYS N 28 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_struct_site_gen.details +_struct_site_gen.id +_struct_site_gen.label_alt_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_comp_id +_struct_site_gen.label_seq_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_seq_id +_struct_site_gen.site_id +_struct_site_gen.symmetry +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.pdbx_num_res +? 1 ? B . ARG 233 H ARG 221 AC1 1_555 A 3 +? 2 ? B . LYS 236 H LYS 224 AC1 1_555 ? 3 +? 3 ? G . HOH . H HOH 503 AC1 1_555 ? 3 +? 4 ? B . PHE 19 H PHE 34 AC2 1_555 ? 14 +? 5 ? B . GLN 24 H GLN 38 AC2 1_555 ? 14 +? 6 ? B . LEU 60 H LEU 65 AC2 1_555 ? 14 +? 7 ? B . ARG 68 H ARG 73 AC2 1_555 ? 14 +? 8 ? B . THR 69 H THR 74 AC2 1_555 ? 14 +? 9 ? B . ARG 70 H ARG 75 AC2 1_555 ? 14 +? 10 ? B . TYR 71 H TYR 76 AC2 1_555 ? 14 +? 11 ? B . LYS 77 H LYS 81 AC2 1_555 ? 14 +? 12 ? B . ILE 78 H ILE 82 AC2 1_555 ? 14 +? 13 ? B . SER 158 H SER 153 AC2 2_555 ? 14 +? 14 ? G . HOH . H HOH 574 AC2 2_555 ? 14 +? 15 ? G . HOH . H HOH 615 AC2 1_555 ? 14 +? 16 ? H . HOH . I HOH 491 AC2 1_555 ? 14 +? 17 ? H . HOH . I HOH 553 AC2 1_555 ? 14 +? 18 ? B . HIS 43 H HIS 57 AC3 1_555 ? 16 +? 19 ? B . TYR 47 H TYR 60 AC3 1_555 A 16 +? 20 ? B . TRP 50 H TRP 60 AC3 1_555 D 16 +? 21 ? B . ASP 199 H ASP 189 AC3 1_555 ? 16 +? 22 ? B . ALA 200 H ALA 190 AC3 1_555 ? 16 +? 23 ? B . CYS 201 H CYS 191 AC3 1_555 ? 16 +? 24 ? B . SER 205 H SER 195 AC3 1_555 ? 16 +? 25 ? B . SER 226 H SER 214 AC3 1_555 ? 16 +? 26 ? B . TRP 227 H TRP 215 AC3 1_555 ? 16 +? 27 ? B . GLY 228 H GLY 216 AC3 1_555 ? 16 +? 28 ? B . GLU 229 H GLU 217 AC3 1_555 ? 16 +? 29 ? B . GLY 230 H GLY 219 AC3 1_555 ? 16 +? 30 ? B . ARG 233 H ARG 221 AC3 1_555 A 16 +? 31 ? B . GLY 238 H GLY 226 AC3 1_555 ? 16 +? 32 ? G . HOH . H HOH 450 AC3 1_555 ? 16 +? 33 ? I . HOH . J HOH 462 AC3 1_555 ? 16 +# +_database_PDB_matrix.entry_id 1A2C +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 1A2C _atom_sites.fract_transf_matrix[1][1] 0.013895 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0.002683 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.013797 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.014098 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -E 5 NA 1 626 626 NA NA H . -F 6 HOH 1 471 471 HOH HOH L . -F 6 HOH 2 487 487 HOH HOH L . -F 6 HOH 3 493 493 HOH HOH L . -F 6 HOH 4 495 495 HOH HOH L . -F 6 HOH 5 499 499 HOH HOH L . -F 6 HOH 6 507 507 HOH HOH L . -F 6 HOH 7 508 508 HOH HOH L . -F 6 HOH 8 510 510 HOH HOH L . -F 6 HOH 9 517 517 HOH HOH L . -F 6 HOH 10 519 519 HOH HOH L . -F 6 HOH 11 520 520 HOH HOH L . -F 6 HOH 12 525 525 HOH HOH L . -F 6 HOH 13 528 528 HOH HOH L . -F 6 HOH 14 533 533 HOH HOH L . -F 6 HOH 15 542 542 HOH HOH L . -F 6 HOH 16 543 543 HOH HOH L . -F 6 HOH 17 549 549 HOH HOH L . -F 6 HOH 18 558 558 HOH HOH L . -F 6 HOH 19 563 563 HOH HOH L . -F 6 HOH 20 565 565 HOH HOH L . -F 6 HOH 21 567 567 HOH HOH L . -F 6 HOH 22 570 570 HOH HOH L . -F 6 HOH 23 573 573 HOH HOH L . -F 6 HOH 24 575 575 HOH HOH L . -F 6 HOH 25 577 577 HOH HOH L . -F 6 HOH 26 585 585 HOH HOH L . -G 6 HOH 1 450 450 HOH HOH H . -G 6 HOH 2 451 451 HOH HOH H . -G 6 HOH 3 452 452 HOH HOH H . -G 6 HOH 4 453 453 HOH HOH H . -G 6 HOH 5 454 454 HOH HOH H . -G 6 HOH 6 455 455 HOH HOH H . -G 6 HOH 7 456 456 HOH HOH H . -G 6 HOH 8 457 457 HOH HOH H . -G 6 HOH 9 458 458 HOH HOH H . -G 6 HOH 10 459 459 HOH HOH H . -G 6 HOH 11 460 460 HOH HOH H . -G 6 HOH 12 461 461 HOH HOH H . -G 6 HOH 13 463 463 HOH HOH H . -G 6 HOH 14 464 464 HOH HOH H . -G 6 HOH 15 465 465 HOH HOH H . -G 6 HOH 16 466 466 HOH HOH H . -G 6 HOH 17 467 467 HOH HOH H . -G 6 HOH 18 468 468 HOH HOH H . -G 6 HOH 19 469 469 HOH HOH H . -G 6 HOH 20 470 470 HOH HOH H . -G 6 HOH 21 472 472 HOH HOH H . -G 6 HOH 22 473 473 HOH HOH H . -G 6 HOH 23 474 474 HOH HOH H . -G 6 HOH 24 475 475 HOH HOH H . -G 6 HOH 25 476 476 HOH HOH H . -G 6 HOH 26 477 477 HOH HOH H . -G 6 HOH 27 478 478 HOH HOH H . -G 6 HOH 28 479 479 HOH HOH H . -G 6 HOH 29 480 480 HOH HOH H . -G 6 HOH 30 481 481 HOH HOH H . -G 6 HOH 31 482 482 HOH HOH H . -G 6 HOH 32 483 483 HOH HOH H . -G 6 HOH 33 484 484 HOH HOH H . -G 6 HOH 34 485 485 HOH HOH H . -G 6 HOH 35 486 486 HOH HOH H . -G 6 HOH 36 488 488 HOH HOH H . -G 6 HOH 37 489 489 HOH HOH H . -G 6 HOH 38 490 490 HOH HOH H . -G 6 HOH 39 492 492 HOH HOH H . -G 6 HOH 40 496 496 HOH HOH H . -G 6 HOH 41 497 497 HOH HOH H . -G 6 HOH 42 498 498 HOH HOH H . -G 6 HOH 43 500 500 HOH HOH H . -G 6 HOH 44 501 501 HOH HOH H . -G 6 HOH 45 502 502 HOH HOH H . -G 6 HOH 46 503 503 HOH HOH H . -G 6 HOH 47 504 504 HOH HOH H . -G 6 HOH 48 505 505 HOH HOH H . -G 6 HOH 49 506 506 HOH HOH H . -G 6 HOH 50 511 511 HOH HOH H . -G 6 HOH 51 512 512 HOH HOH H . -G 6 HOH 52 513 513 HOH HOH H . -G 6 HOH 53 514 514 HOH HOH H . -G 6 HOH 54 515 515 HOH HOH H . -G 6 HOH 55 516 516 HOH HOH H . -G 6 HOH 56 518 518 HOH HOH H . -G 6 HOH 57 521 521 HOH HOH H . -G 6 HOH 58 522 522 HOH HOH H . -G 6 HOH 59 523 523 HOH HOH H . -G 6 HOH 60 524 524 HOH HOH H . -G 6 HOH 61 526 526 HOH HOH H . -G 6 HOH 62 527 527 HOH HOH H . -G 6 HOH 63 529 529 HOH HOH H . -G 6 HOH 64 530 530 HOH HOH H . -G 6 HOH 65 531 531 HOH HOH H . -G 6 HOH 66 532 532 HOH HOH H . -G 6 HOH 67 534 534 HOH HOH H . -G 6 HOH 68 535 535 HOH HOH H . -G 6 HOH 69 536 536 HOH HOH H . -G 6 HOH 70 538 538 HOH HOH H . -G 6 HOH 71 539 539 HOH HOH H . -G 6 HOH 72 540 540 HOH HOH H . -G 6 HOH 73 541 541 HOH HOH H . -G 6 HOH 74 544 544 HOH HOH H . -G 6 HOH 75 545 545 HOH HOH H . -G 6 HOH 76 546 546 HOH HOH H . -G 6 HOH 77 547 547 HOH HOH H . -G 6 HOH 78 550 550 HOH HOH H . -G 6 HOH 79 551 551 HOH HOH H . -G 6 HOH 80 552 552 HOH HOH H . -G 6 HOH 81 554 554 HOH HOH H . -G 6 HOH 82 555 555 HOH HOH H . -G 6 HOH 83 556 556 HOH HOH H . -G 6 HOH 84 557 557 HOH HOH H . -G 6 HOH 85 559 559 HOH HOH H . -G 6 HOH 86 560 560 HOH HOH H . -G 6 HOH 87 561 561 HOH HOH H . -G 6 HOH 88 562 562 HOH HOH H . -G 6 HOH 89 564 564 HOH HOH H . -G 6 HOH 90 566 566 HOH HOH H . -G 6 HOH 91 568 568 HOH HOH H . -G 6 HOH 92 569 569 HOH HOH H . -G 6 HOH 93 571 571 HOH HOH H . -G 6 HOH 94 572 572 HOH HOH H . -G 6 HOH 95 574 574 HOH HOH H . -G 6 HOH 96 576 576 HOH HOH H . -G 6 HOH 97 578 578 HOH HOH H . -G 6 HOH 98 579 579 HOH HOH H . -G 6 HOH 99 580 580 HOH HOH H . -G 6 HOH 100 581 581 HOH HOH H . -G 6 HOH 101 582 582 HOH HOH H . -G 6 HOH 102 583 583 HOH HOH H . -G 6 HOH 103 584 584 HOH HOH H . -G 6 HOH 104 586 586 HOH HOH H . -G 6 HOH 105 587 587 HOH HOH H . -G 6 HOH 106 588 588 HOH HOH H . -G 6 HOH 107 589 589 HOH HOH H . -G 6 HOH 108 590 590 HOH HOH H . -G 6 HOH 109 593 593 HOH HOH H . -G 6 HOH 110 594 594 HOH HOH H . -G 6 HOH 111 595 595 HOH HOH H . -G 6 HOH 112 596 596 HOH HOH H . -G 6 HOH 113 597 597 HOH HOH H . -G 6 HOH 114 598 598 HOH HOH H . -G 6 HOH 115 599 599 HOH HOH H . -G 6 HOH 116 600 600 HOH HOH H . -G 6 HOH 117 601 601 HOH HOH H . -G 6 HOH 118 602 602 HOH HOH H . -G 6 HOH 119 603 603 HOH HOH H . -G 6 HOH 120 604 604 HOH HOH H . -G 6 HOH 121 605 605 HOH HOH H . -G 6 HOH 122 606 606 HOH HOH H . -G 6 HOH 123 607 607 HOH HOH H . -G 6 HOH 124 608 608 HOH HOH H . -G 6 HOH 125 609 609 HOH HOH H . -G 6 HOH 126 610 610 HOH HOH H . -G 6 HOH 127 611 611 HOH HOH H . -G 6 HOH 128 613 613 HOH HOH H . -G 6 HOH 129 615 615 HOH HOH H . -G 6 HOH 130 616 616 HOH HOH H . -G 6 HOH 131 617 617 HOH HOH H . -G 6 HOH 132 618 618 HOH HOH H . -G 6 HOH 133 619 619 HOH HOH H . -G 6 HOH 134 620 620 HOH HOH H . -G 6 HOH 135 621 621 HOH HOH H . -G 6 HOH 136 622 622 HOH HOH H . -G 6 HOH 137 623 623 HOH HOH H . -G 6 HOH 138 625 625 HOH HOH H . -H 6 HOH 1 491 491 HOH HOH I . -H 6 HOH 2 509 509 HOH HOH I . -H 6 HOH 3 537 537 HOH HOH I . -H 6 HOH 4 548 548 HOH HOH I . -H 6 HOH 5 553 553 HOH HOH I . -H 6 HOH 6 614 614 HOH HOH I . -I 6 HOH 1 462 462 HOH HOH J . -I 6 HOH 2 494 494 HOH HOH J . -I 6 HOH 3 591 591 HOH HOH J . -I 6 HOH 4 592 592 HOH HOH J . -I 6 HOH 5 612 612 HOH HOH J . -I 6 HOH 6 624 624 HOH HOH J . +_atom_type.symbol +C +N +NA +O +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -1296,2642 +1091,3626 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . THR A 1 1 H 18.623 12.307 19.412 1 50 ? N THR L 1 1 -ATOM 2 C CA . THR A 1 1 H 20.041 12.712 19.207 1 50 ? CA THR L 1 1 -ATOM 3 C C . THR A 1 1 H 20.571 12.573 20.629 1 50 ? C THR L 1 1 -ATOM 4 O O . THR A 1 1 H 20.073 11.685 21.378 1 50 ? O THR L 1 1 -ATOM 5 C CB . THR A 1 1 H 20.102 14.126 18.558 1 50 ? CB THR L 1 1 -ATOM 6 O OG1 . THR A 1 1 H 18.827 14.389 17.843 1 50 ? OG1 THR L 1 1 -ATOM 7 C CG2 . THR A 1 1 H 21.263 14.373 17.59 1 50 ? CG2 THR L 1 1 -ATOM 8 N N . PHE A 1 2 G 21.378 13.504 21.058 1 50 ? N PHE L 1 1 -ATOM 9 C CA . PHE A 1 2 G 21.935 13.569 22.426 1 50 ? CA PHE L 1 1 -ATOM 10 C C . PHE A 1 2 G 20.897 13.862 23.525 1 50 ? C PHE L 1 1 -ATOM 11 O O . PHE A 1 2 G 19.694 13.568 23.537 1 50 ? O PHE L 1 1 -ATOM 12 C CB . PHE A 1 2 G 22.891 14.812 22.371 1 50 ? CB PHE L 1 1 -ATOM 13 C CG . PHE A 1 2 G 21.946 15.954 22.007 1 50 ? CG PHE L 1 1 -ATOM 14 C CD1 . PHE A 1 2 G 21.497 16.061 20.69 1 50 ? CD1 PHE L 1 1 -ATOM 15 C CD2 . PHE A 1 2 G 21.388 16.717 23.038 1 50 ? CD2 PHE L 1 1 -ATOM 16 C CE1 . PHE A 1 2 G 20.53 17.023 20.379 1 50 ? CE1 PHE L 1 1 -ATOM 17 C CE2 . PHE A 1 2 G 20.44 17.688 22.743 1 50 ? CE2 PHE L 1 1 -ATOM 18 C CZ . PHE A 1 2 G 20.007 17.819 21.422 1 50 ? CZ PHE L 1 1 -ATOM 19 N N . GLY A 1 3 F 21.437 14.689 24.438 1 50 ? N GLY L 1 1 -ATOM 20 C CA . GLY A 1 3 F 20.688 15.16 25.621 1 50 ? CA GLY L 1 1 -ATOM 21 C C . GLY A 1 3 F 19.196 15.046 25.295 1 50 ? C GLY L 1 1 -ATOM 22 O O . GLY A 1 3 F 18.836 15.838 24.394 1 50 ? O GLY L 1 1 -ATOM 23 N N . SER A 1 4 E 18.507 14.088 25.873 1 50 ? N SER L 1 1 -ATOM 24 C CA . SER A 1 4 E 17.067 13.874 25.698 1 50 ? CA SER L 1 1 -ATOM 25 C C . SER A 1 4 E 16.581 14.235 24.291 1 50 ? C SER L 1 1 -ATOM 26 O O . SER A 1 4 E 16.059 15.36 24.045 1 50 ? O SER L 1 1 -ATOM 27 C CB . SER A 1 4 E 16.181 14.567 26.722 1 49.45 ? CB SER L 1 1 -ATOM 28 O OG . SER A 1 4 E 14.86 14.692 26.241 1 49.27 ? OG SER L 1 1 -ATOM 29 N N . GLY A 1 5 D 16.786 13.215 23.459 1 50 ? N GLY L 1 1 -ATOM 30 C CA . GLY A 1 5 D 16.489 13.196 22.046 1 50 ? CA GLY L 1 1 -ATOM 31 C C . GLY A 1 5 D 16.599 14.597 21.433 1 50 ? C GLY L 1 1 -ATOM 32 O O . GLY A 1 5 D 17.396 15.496 21.809 1 50 ? O GLY L 1 1 -ATOM 33 N N . GLU A 1 6 C 15.671 14.79 20.485 1 50 ? N GLU L 1 1 -ATOM 34 C CA . GLU A 1 6 C 15.599 15.993 19.637 1 50 ? CA GLU L 1 1 -ATOM 35 C C . GLU A 1 6 C 15.17 17.363 20.146 1 50 ? C GLU L 1 1 -ATOM 36 O O . GLU A 1 6 C 15.544 17.922 21.212 1 50 ? O GLU L 1 1 -ATOM 37 C CB . GLU A 1 6 C 14.728 15.62 18.397 1 50 ? CB GLU L 1 1 -ATOM 38 C CG . GLU A 1 6 C 14.156 16.803 17.618 1 50 ? CG GLU L 1 1 -ATOM 39 C CD . GLU A 1 6 C 14.353 16.662 16.138 1 50 ? CD GLU L 1 1 -ATOM 40 O OE1 . GLU A 1 6 C 15.178 15.897 15.664 1 50 ? OE1 GLU L 1 1 -ATOM 41 O OE2 . GLU A 1 6 C 13.535 17.405 15.537 1 50 ? OE2 GLU L 1 1 -ATOM 42 N N . ALA A 1 7 B 14.56 18.049 19.182 1 48.03 ? N ALA L 1 1 -ATOM 43 C CA . ALA A 1 7 B 14.071 19.427 19.189 1 44.8 ? CA ALA L 1 1 -ATOM 44 C C . ALA A 1 7 B 12.569 19.378 19.396 1 42.77 ? C ALA L 1 1 -ATOM 45 O O . ALA A 1 7 B 11.975 19.764 20.416 1 42.2 ? O ALA L 1 1 -ATOM 46 C CB . ALA A 1 7 B 14.57 20.011 17.861 1 44.84 ? CB ALA L 1 1 -ATOM 47 N N . ASP A 1 8 A 11.976 18.696 18.413 1 40.78 ? N ASP L 1 1 -ATOM 48 C CA . ASP A 1 8 A 10.532 18.432 18.459 1 37.75 ? CA ASP L 1 1 -ATOM 49 C C . ASP A 1 8 A 10.287 16.96 18.862 1 33.42 ? C ASP L 1 1 -ATOM 50 O O . ASP A 1 8 A 9.228 16.391 18.565 1 31.81 ? O ASP L 1 1 -ATOM 51 C CB . ASP A 1 8 A 9.868 18.79 17.109 1 44.67 ? CB ASP L 1 1 -ATOM 52 C CG . ASP A 1 8 A 8.41 19.088 17.526 1 50 ? CG ASP L 1 1 -ATOM 53 O OD1 . ASP A 1 8 A 8.426 19.359 18.772 1 50 ? OD1 ASP L 1 1 -ATOM 54 O OD2 . ASP A 1 8 A 7.363 18.971 16.849 1 50 ? OD2 ASP L 1 1 -ATOM 55 N N . CYS A 1 9 . 11.285 16.379 19.505 1 29.4 ? N CYS L 1 1 -ATOM 56 C CA . CYS A 1 9 . 11.183 14.912 19.81 1 25.39 ? CA CYS L 1 1 -ATOM 57 C C . CYS A 1 9 . 9.936 14.542 20.574 1 21.54 ? C CYS L 1 1 -ATOM 58 O O . CYS A 1 9 . 9.476 15.34 21.372 1 20.45 ? O CYS L 1 1 -ATOM 59 C CB . CYS A 1 9 . 12.44 14.315 20.451 1 23.95 ? CB CYS L 1 1 -ATOM 60 S SG . CYS A 1 9 . 12.853 14.86 22.108 1 15.88 ? SG CYS L 1 1 -ATOM 61 N N . GLY A 1 10 . 9.389 13.373 20.27 1 19.21 ? N GLY L 2 1 -ATOM 62 C CA . GLY A 1 10 . 8.277 12.787 20.964 1 15.96 ? CA GLY L 2 1 -ATOM 63 C C . GLY A 1 10 . 6.878 13.274 21.021 1 16.35 ? C GLY L 2 1 -ATOM 64 O O . GLY A 1 10 . 6.044 12.755 21.818 1 16.14 ? O GLY L 2 1 -ATOM 65 N N . LEU A 1 11 . 6.581 14.306 20.209 1 17.26 ? N LEU L 3 1 -ATOM 66 C CA . LEU A 1 11 . 5.304 14.991 20.011 1 16.17 ? CA LEU L 3 1 -ATOM 67 C C . LEU A 1 11 . 4.938 14.585 18.572 1 17.79 ? C LEU L 3 1 -ATOM 68 O O . LEU A 1 11 . 5.75 14.7 17.621 1 16.42 ? O LEU L 3 1 -ATOM 69 C CB . LEU A 1 11 . 5.428 16.504 20.157 1 14.99 ? CB LEU L 3 1 -ATOM 70 C CG . LEU A 1 11 . 5.923 17.043 21.483 1 13.99 ? CG LEU L 3 1 -ATOM 71 C CD1 . LEU A 1 11 . 6.286 18.535 21.388 1 14.84 ? CD1 LEU L 3 1 -ATOM 72 C CD2 . LEU A 1 11 . 4.865 16.762 22.53 1 13.44 ? CD2 LEU L 3 1 -ATOM 73 N N . ARG A 1 12 . 4.002 13.628 18.662 1 18.9 ? N ARG L 4 1 -ATOM 74 C CA . ARG A 1 12 . 3.503 12.998 17.432 1 18.78 ? CA ARG L 4 1 -ATOM 75 C C . ARG A 1 12 . 2.535 13.938 16.703 1 19 ? C ARG L 4 1 -ATOM 76 O O . ARG A 1 12 . 1.512 14.293 17.354 1 17.3 ? O ARG L 4 1 -ATOM 77 C CB . ARG A 1 12 . 2.657 11.719 17.826 1 18.8 ? CB ARG L 4 1 -ATOM 78 C CG . ARG A 1 12 . 3.647 10.55 18.173 1 13.66 ? CG ARG L 4 1 -ATOM 79 C CD . ARG A 1 12 . 2.939 9.593 19.091 1 12.82 ? CD ARG L 4 1 -ATOM 80 N NE . ARG A 1 12 . 1.908 10.015 19.989 1 10 ? NE ARG L 4 1 -ATOM 81 C CZ . ARG A 1 12 . 0.989 9.194 20.466 1 11.6 ? CZ ARG L 4 1 -ATOM 82 N NH1 . ARG A 1 12 . 0.94 7.892 20.137 1 14.88 ? NH1 ARG L 4 1 -ATOM 83 N NH2 . ARG A 1 12 . 0.144 9.464 21.461 1 10 ? NH2 ARG L 4 1 -ATOM 84 N N . PRO A 1 13 . 2.752 14.048 15.417 1 19.41 ? N PRO L 5 1 -ATOM 85 C CA . PRO A 1 13 . 1.964 14.965 14.591 1 20.61 ? CA PRO L 5 1 -ATOM 86 C C . PRO A 1 13 . 0.512 14.691 14.657 1 23.38 ? C PRO L 5 1 -ATOM 87 O O . PRO A 1 13 . -0.272 15.622 14.94 1 26.53 ? O PRO L 5 1 -ATOM 88 C CB . PRO A 1 13 . 2.581 14.939 13.21 1 19.74 ? CB PRO L 5 1 -ATOM 89 C CG . PRO A 1 13 . 3.973 14.345 13.329 1 19.92 ? CG PRO L 5 1 -ATOM 90 C CD . PRO A 1 13 . 3.992 13.659 14.718 1 19.98 ? CD PRO L 5 1 -ATOM 91 N N . LEU A 1 14 . 0.124 13.433 14.805 1 25.11 ? N LEU L 6 1 -ATOM 92 C CA . LEU A 1 14 . -1.271 13.014 14.763 1 24.01 ? CA LEU L 6 1 -ATOM 93 C C . LEU A 1 14 . -1.925 12.791 16.124 1 24.84 ? C LEU L 6 1 -ATOM 94 O O . LEU A 1 14 . -3.083 12.367 16.205 1 26.69 ? O LEU L 6 1 -ATOM 95 C CB . LEU A 1 14 . -1.414 11.795 13.868 1 22.73 ? CB LEU L 6 1 -ATOM 96 C CG . LEU A 1 14 . -1.991 11.963 12.468 1 24.31 ? CG LEU L 6 1 -ATOM 97 C CD1 . LEU A 1 14 . -1.467 13.181 11.722 1 25.65 ? CD1 LEU L 6 1 -ATOM 98 C CD2 . LEU A 1 14 . -1.655 10.755 11.576 1 26.67 ? CD2 LEU L 6 1 -ATOM 99 N N . PHE A 1 15 . -1.24 13.095 17.206 1 24.95 ? N PHE L 7 1 -ATOM 100 C CA . PHE A 1 15 . -1.867 12.918 18.529 1 24.49 ? CA PHE L 7 1 -ATOM 101 C C . PHE A 1 15 . -1.627 14.15 19.426 1 26.24 ? C PHE L 7 1 -ATOM 102 O O . PHE A 1 15 . -2.539 14.96 19.653 1 26.9 ? O PHE L 7 1 -ATOM 103 C CB . PHE A 1 15 . -1.373 11.617 19.161 1 19.78 ? CB PHE L 7 1 -ATOM 104 C CG . PHE A 1 15 . -1.836 10.387 18.364 1 21.41 ? CG PHE L 7 1 -ATOM 105 C CD1 . PHE A 1 15 . -3.117 9.847 18.569 1 19.49 ? CD1 PHE L 7 1 -ATOM 106 C CD2 . PHE A 1 15 . -0.984 9.805 17.418 1 15.33 ? CD2 PHE L 7 1 -ATOM 107 C CE1 . PHE A 1 15 . -3.536 8.727 17.841 1 19.8 ? CE1 PHE L 7 1 -ATOM 108 C CE2 . PHE A 1 15 . -1.405 8.686 16.687 1 17.93 ? CE2 PHE L 7 1 -ATOM 109 C CZ . PHE A 1 15 . -2.679 8.147 16.9 1 17.88 ? CZ PHE L 7 1 -ATOM 110 N N . GLU A 1 16 . -0.41 14.27 19.924 1 26.47 ? N GLU L 8 1 -ATOM 111 C CA . GLU A 1 16 . -0.008 15.382 20.818 1 24.04 ? CA GLU L 8 1 -ATOM 112 C C . GLU A 1 16 . -0.258 16.74 20.152 1 24.15 ? C GLU L 8 1 -ATOM 113 O O . GLU A 1 16 . -0.91 17.539 20.816 1 24.64 ? O GLU L 8 1 -ATOM 114 C CB . GLU A 1 16 . 1.489 15.291 21.122 1 18.46 ? CB GLU L 8 1 -ATOM 115 C CG . GLU A 1 16 . 1.806 14.399 22.321 1 20.93 ? CG GLU L 8 1 -ATOM 116 C CD . GLU A 1 16 . 1.661 12.911 22.01 1 16.53 ? CD GLU L 8 1 -ATOM 117 O OE1 . GLU A 1 16 . 2.133 12.44 20.91 1 16.87 ? OE1 GLU L 8 1 -ATOM 118 O OE2 . GLU A 1 16 . 1.066 12.128 22.844 1 20.42 ? OE2 GLU L 8 1 -ATOM 119 N N . LYS A 1 17 . 0.346 16.94 19.022 1 23.76 ? N LYS L 9 1 -ATOM 120 C CA . LYS A 1 17 . 0.283 18.117 18.179 1 24.53 ? CA LYS L 9 1 -ATOM 121 C C . LYS A 1 17 . -1.115 18.555 17.795 1 25.76 ? C LYS L 9 1 -ATOM 122 O O . LYS A 1 17 . -1.372 19.739 17.487 1 26.98 ? O LYS L 9 1 -ATOM 123 C CB . LYS A 1 17 . 1.189 17.946 16.959 1 22.97 ? CB LYS L 9 1 -ATOM 124 C CG . LYS A 1 17 . 2.647 18.237 17.43 1 25.52 ? CG LYS L 9 1 -ATOM 125 C CD . LYS A 1 17 . 3.697 17.505 16.639 1 26.62 ? CD LYS L 9 1 -ATOM 126 C CE . LYS A 1 17 . 4.884 18.395 16.27 1 26.08 ? CE LYS L 9 1 -ATOM 127 N NZ . LYS A 1 17 . 5.277 17.998 14.851 1 28.06 ? NZ LYS L 9 1 -ATOM 128 N N . LYS A 1 18 . -2.095 17.691 18.006 1 25.44 ? N LYS L 10 1 -ATOM 129 C CA . LYS A 1 18 . -3.457 18.015 17.599 1 26.67 ? CA LYS L 10 1 -ATOM 130 C C . LYS A 1 18 . -4.368 17.863 18.808 1 25.78 ? C LYS L 10 1 -ATOM 131 O O . LYS A 1 18 . -5.536 18.099 18.591 1 26.1 ? O LYS L 10 1 -ATOM 132 C CB . LYS A 1 18 . -4.096 17.062 16.632 1 27.62 ? CB LYS L 10 1 -ATOM 133 C CG . LYS A 1 18 . -3.559 17.146 15.201 1 30.62 ? CG LYS L 10 1 -ATOM 134 C CD . LYS A 1 18 . -4.569 16.327 14.4 1 31.58 ? CD LYS L 10 1 -ATOM 135 C CE . LYS A 1 18 . -4.351 16.32 12.893 1 32.62 ? CE LYS L 10 1 -ATOM 136 N NZ . LYS A 1 18 . -5.7 15.76 12.475 1 35.51 ? NZ LYS L 10 1 -ATOM 137 N N . SER A 1 19 . -3.705 17.439 19.835 1 25.29 ? N SER L 11 1 -ATOM 138 C CA . SER A 1 19 . -4.342 17.226 21.147 1 25.28 ? CA SER L 11 1 -ATOM 139 C C . SER A 1 19 . -5.348 16.096 21.14 1 25.84 ? C SER L 11 1 -ATOM 140 O O . SER A 1 19 . -6.427 16.024 21.8 1 26.13 ? O SER L 11 1 -ATOM 141 C CB . SER A 1 19 . -4.685 18.582 21.748 1 26.23 ? CB SER L 11 1 -ATOM 142 O OG . SER A 1 19 . -5.594 18.364 22.789 1 26.32 ? OG SER L 11 1 -ATOM 143 N N . LEU A 1 20 . -4.89 15.016 20.448 1 24.99 ? N LEU L 12 1 -ATOM 144 C CA . LEU A 1 20 . -5.673 13.769 20.401 1 26.3 ? CA LEU L 12 1 -ATOM 145 C C . LEU A 1 20 . -4.892 12.668 21.143 1 27.01 ? C LEU L 12 1 -ATOM 146 O O . LEU A 1 20 . -3.699 12.656 20.83 1 27.34 ? O LEU L 12 1 -ATOM 147 C CB . LEU A 1 20 . -5.839 13.46 18.918 1 23.47 ? CB LEU L 12 1 -ATOM 148 C CG . LEU A 1 20 . -6.688 14.331 18.008 1 21.93 ? CG LEU L 12 1 -ATOM 149 C CD1 . LEU A 1 20 . -6.351 14.109 16.584 1 18.55 ? CD1 LEU L 12 1 -ATOM 150 C CD2 . LEU A 1 20 . -8.166 13.977 18.205 1 18.24 ? CD2 LEU L 12 1 -ATOM 151 N N . GLU A 1 21 . -5.524 11.775 21.89 1 28.08 ? N GLU L 13 1 -ATOM 152 C CA . GLU A 1 21 . -4.887 10.654 22.58 1 28.98 ? CA GLU L 13 1 -ATOM 153 C C . GLU A 1 21 . -5.046 9.338 21.803 1 28.7 ? C GLU L 13 1 -ATOM 154 O O . GLU A 1 21 . -6.148 9.305 21.211 1 29.47 ? O GLU L 13 1 -ATOM 155 C CB . GLU A 1 21 . -5.689 10.241 23.805 1 31.75 ? CB GLU L 13 1 -ATOM 156 C CG . GLU A 1 21 . -5.969 11.315 24.847 1 39.47 ? CG GLU L 13 1 -ATOM 157 C CD . GLU A 1 21 . -5.857 10.797 26.257 1 43.79 ? CD GLU L 13 1 -ATOM 158 O OE1 . GLU A 1 21 . -6.433 9.669 26.374 1 46.84 ? OE1 GLU L 13 1 -ATOM 159 O OE2 . GLU A 1 21 . -5.17 11.369 27.097 1 46.12 ? OE2 GLU L 13 1 -ATOM 160 N N . ASP A 1 22 . -4.139 8.383 21.846 1 27.27 ? N ASP L 14 1 -ATOM 161 C CA . ASP A 1 22 . -4.34 7.057 21.177 1 26.59 ? CA ASP L 14 1 -ATOM 162 C C . ASP A 1 22 . -5.143 6.207 22.189 1 26.1 ? C ASP L 14 1 -ATOM 163 O O . ASP A 1 22 . -5.353 6.626 23.354 1 24.54 ? O ASP L 14 1 -ATOM 164 C CB . ASP A 1 22 . -3.038 6.441 20.674 1 26.26 ? CB ASP L 14 1 -ATOM 165 C CG . ASP A 1 22 . -2.109 6.062 21.83 1 20.53 ? CG ASP L 14 1 -ATOM 166 O OD1 . ASP A 1 22 . -2.772 5.508 22.722 1 22.99 ? OD1 ASP L 14 1 -ATOM 167 O OD2 . ASP A 1 22 . -0.898 6.241 21.87 1 19.82 ? OD2 ASP L 14 1 -ATOM 168 N N . LYS A 1 23 A -5.732 5.122 21.704 1 26.41 ? N LYS L 14 1 -ATOM 169 C CA . LYS A 1 23 A -6.666 4.344 22.509 1 26.71 ? CA LYS L 14 1 -ATOM 170 C C . LYS A 1 23 A -6.061 3.772 23.761 1 25.9 ? C LYS L 14 1 -ATOM 171 O O . LYS A 1 23 A -6.935 3.596 24.656 1 26.78 ? O LYS L 14 1 -ATOM 172 C CB . LYS A 1 23 A -7.43 3.234 21.817 1 30.6 ? CB LYS L 14 1 -ATOM 173 C CG . LYS A 1 23 A -7.324 3.277 20.278 1 35.5 ? CG LYS L 14 1 -ATOM 174 C CD . LYS A 1 23 A -6.758 1.934 19.79 1 39.41 ? CD LYS L 14 1 -ATOM 175 C CE . LYS A 1 23 A -5.24 1.853 19.901 1 40.48 ? CE LYS L 14 1 -ATOM 176 N NZ . LYS A 1 23 A -4.65 0.688 19.197 1 41.68 ? NZ LYS L 14 1 -ATOM 177 N N . THR A 1 24 B -4.775 3.661 23.95 1 25.94 ? N THR L 14 1 -ATOM 178 C CA . THR A 1 24 B -4.388 3.039 25.28 1 27.81 ? CA THR L 14 1 -ATOM 179 C C . THR A 1 24 B -3.449 3.871 26.148 1 30.4 ? C THR L 14 1 -ATOM 180 O O . THR A 1 24 B -3.245 3.508 27.358 1 31.81 ? O THR L 14 1 -ATOM 181 C CB . THR A 1 24 B -3.922 1.54 25.163 1 21.93 ? CB THR L 14 1 -ATOM 182 O OG1 . THR A 1 24 B -2.785 1.488 24.26 1 19.33 ? OG1 THR L 14 1 -ATOM 183 C CG2 . THR A 1 24 B -4.993 0.626 24.566 1 19.66 ? CG2 THR L 14 1 -ATOM 184 N N . GLU A 1 25 C -2.879 4.932 25.578 1 30.96 ? N GLU L 14 1 -ATOM 185 C CA . GLU A 1 25 C -2.019 5.84 26.359 1 32.29 ? CA GLU L 14 1 -ATOM 186 C C . GLU A 1 25 C -2.513 5.971 27.796 1 33.02 ? C GLU L 14 1 -ATOM 187 O O . GLU A 1 25 C -1.691 6.096 28.705 1 33.06 ? O GLU L 14 1 -ATOM 188 C CB . GLU A 1 25 C -2.175 7.298 25.911 1 33.79 ? CB GLU L 14 1 -ATOM 189 C CG . GLU A 1 25 C -1.365 7.751 24.726 1 31.87 ? CG GLU L 14 1 -ATOM 190 C CD . GLU A 1 25 C -1.65 9.171 24.283 1 29.63 ? CD GLU L 14 1 -ATOM 191 O OE1 . GLU A 1 25 C -1.728 9.928 25.253 1 26.13 ? OE1 GLU L 14 1 -ATOM 192 O OE2 . GLU A 1 25 C -1.481 9.466 23.096 1 30.82 ? OE2 GLU L 14 1 -ATOM 193 N N . ARG A 1 26 D -3.882 6.203 27.933 1 33.98 ? N ARG L 14 1 -ATOM 194 C CA . ARG A 1 26 D -4.357 6.307 29.321 1 35.59 ? CA ARG L 14 1 -ATOM 195 C C . ARG A 1 26 D -3.614 5.307 30.206 1 35.5 ? C ARG L 14 1 -ATOM 196 O O . ARG A 1 26 D -3.482 5.508 31.421 1 37.62 ? O ARG L 14 1 -ATOM 197 C CB . ARG A 1 26 D -5.854 6.004 29.388 1 41.6 ? CB ARG L 14 1 -ATOM 198 C CG . ARG A 1 26 D -6.157 4.509 29.543 1 45.04 ? CG ARG L 14 1 -ATOM 199 C CD . ARG A 1 26 D -5.585 3.655 28.402 1 47.28 ? CD ARG L 14 1 -ATOM 200 N NE . ARG A 1 26 D -6.445 2.508 28.049 1 48.85 ? NE ARG L 14 1 -ATOM 201 C CZ . ARG A 1 26 D -6.009 1.237 27.917 1 50 ? CZ ARG L 14 1 -ATOM 202 N NH1 . ARG A 1 26 D -4.719 0.914 28.104 1 49.52 ? NH1 ARG L 14 1 -ATOM 203 N NH2 . ARG A 1 26 D -6.798 0.202 27.595 1 50 ? NH2 ARG L 14 1 -ATOM 204 N N . GLU A 1 27 E -3.652 4.035 29.668 1 33.1 ? N GLU L 14 1 -ATOM 205 C CA . GLU A 1 27 E -3.139 2.924 30.503 1 30.71 ? CA GLU L 14 1 -ATOM 206 C C . GLU A 1 27 E -1.815 3.317 31.161 1 27.29 ? C GLU L 14 1 -ATOM 207 O O . GLU A 1 27 E -1.569 3.119 32.333 1 24.1 ? O GLU L 14 1 -ATOM 208 C CB . GLU A 1 27 E -2.913 1.668 29.675 1 33.27 ? CB GLU L 14 1 -ATOM 209 C CG . GLU A 1 27 E -3.213 0.337 30.353 1 36.28 ? CG GLU L 14 1 -ATOM 210 C CD . GLU A 1 27 E -2.894 -0.919 29.587 1 37.4 ? CD GLU L 14 1 -ATOM 211 O OE1 . GLU A 1 27 E -2.928 -0.902 28.344 1 33.51 ? OE1 GLU L 14 1 -ATOM 212 O OE2 . GLU A 1 27 E -2.611 -1.954 30.199 1 40.66 ? OE2 GLU L 14 1 -ATOM 213 N N . LEU A 1 28 F -0.93 3.74 30.289 1 26.51 ? N LEU L 14 1 -ATOM 214 C CA . LEU A 1 28 F 0.403 4.238 30.626 1 27.01 ? CA LEU L 14 1 -ATOM 215 C C . LEU A 1 28 F 0.297 5.286 31.708 1 28.17 ? C LEU L 14 1 -ATOM 216 O O . LEU A 1 28 F 0.832 5.024 32.808 1 29.29 ? O LEU L 14 1 -ATOM 217 C CB . LEU A 1 28 F 1.098 4.748 29.344 1 27.28 ? CB LEU L 14 1 -ATOM 218 C CG . LEU A 1 28 F 1.591 3.619 28.418 1 27.77 ? CG LEU L 14 1 -ATOM 219 C CD1 . LEU A 1 28 F 0.419 2.654 28.26 1 28.82 ? CD1 LEU L 14 1 -ATOM 220 C CD2 . LEU A 1 28 F 2.14 4.213 27.138 1 28.21 ? CD2 LEU L 14 1 -ATOM 221 N N . LEU A 1 29 G -0.363 6.414 31.428 1 27.99 ? N LEU L 14 1 -ATOM 222 C CA . LEU A 1 29 G -0.493 7.519 32.39 1 28.02 ? CA LEU L 14 1 -ATOM 223 C C . LEU A 1 29 G -0.978 7.088 33.742 1 27.87 ? C LEU L 14 1 -ATOM 224 O O . LEU A 1 29 G -0.576 7.613 34.798 1 28.69 ? O LEU L 14 1 -ATOM 225 C CB . LEU A 1 29 G -1.347 8.62 31.722 1 26.77 ? CB LEU L 14 1 -ATOM 226 C CG . LEU A 1 29 G -0.501 9.417 30.705 1 27.81 ? CG LEU L 14 1 -ATOM 227 C CD1 . LEU A 1 29 G 0.838 9.954 31.224 1 22.17 ? CD1 LEU L 14 1 -ATOM 228 C CD2 . LEU A 1 29 G -0.092 8.616 29.458 1 28.51 ? CD2 LEU L 14 1 -ATOM 229 N N . GLU A 1 30 H -1.985 6.273 33.701 1 28.87 ? N GLU L 14 1 -ATOM 230 C CA . GLU A 1 30 H -2.649 5.818 34.906 1 31.26 ? CA GLU L 14 1 -ATOM 231 C C . GLU A 1 30 H -1.79 5.058 35.877 1 32.21 ? C GLU L 14 1 -ATOM 232 O O . GLU A 1 30 H -2.417 4.799 36.917 1 34.08 ? O GLU L 14 1 -ATOM 233 C CB . GLU A 1 30 H -3.808 4.844 34.597 1 33.46 ? CB GLU L 14 1 -ATOM 234 C CG . GLU A 1 30 H -4.904 5.549 33.806 1 41.76 ? CG GLU L 14 1 -ATOM 235 C CD . GLU A 1 30 H -6.157 4.785 33.534 1 45.8 ? CD GLU L 14 1 -ATOM 236 O OE1 . GLU A 1 30 H -5.972 3.532 33.647 1 50 ? OE1 GLU L 14 1 -ATOM 237 O OE2 . GLU A 1 30 H -7.207 5.348 33.231 1 50 ? OE2 GLU L 14 1 -ATOM 238 N N . SER A 1 31 I -0.647 4.57 35.489 1 32.95 ? N SER L 14 1 -ATOM 239 C CA . SER A 1 31 I 0.288 3.759 36.261 1 32.38 ? CA SER L 14 1 -ATOM 240 C C . SER A 1 31 I 1.384 4.574 36.92 1 33.11 ? C SER L 14 1 -ATOM 241 O O . SER A 1 31 I 2.019 4.018 37.835 1 32.82 ? O SER L 14 1 -ATOM 242 C CB . SER A 1 31 I 0.915 2.629 35.472 1 30.71 ? CB SER L 14 1 -ATOM 243 O OG . SER A 1 31 I 1.869 2.882 34.482 1 30.55 ? OG SER L 14 1 -ATOM 244 N N . TYR A 1 32 J 1.75 5.669 36.32 1 33.59 ? N TYR L 14 1 -ATOM 245 C CA . TYR A 1 32 J 2.771 6.578 36.808 1 36.34 ? CA TYR L 14 1 -ATOM 246 C C . TYR A 1 32 J 2.052 7.321 37.937 1 39.41 ? C TYR L 14 1 -ATOM 247 O O . TYR A 1 32 J 1.923 8.545 38.015 1 39.92 ? O TYR L 14 1 -ATOM 248 C CB . TYR A 1 32 J 3.125 7.573 35.72 1 35.02 ? CB TYR L 14 1 -ATOM 249 C CG . TYR A 1 32 J 3.503 6.978 34.375 1 35.58 ? CG TYR L 14 1 -ATOM 250 C CD1 . TYR A 1 32 J 3.739 5.608 34.246 1 34.33 ? CD1 TYR L 14 1 -ATOM 251 C CD2 . TYR A 1 32 J 3.612 7.826 33.268 1 34.33 ? CD2 TYR L 14 1 -ATOM 252 C CE1 . TYR A 1 32 J 4.097 5.082 33 1 33.34 ? CE1 TYR L 14 1 -ATOM 253 C CE2 . TYR A 1 32 J 3.973 7.301 32.022 1 30.89 ? CE2 TYR L 14 1 -ATOM 254 C CZ . TYR A 1 32 J 4.218 5.929 31.889 1 32.54 ? CZ TYR L 14 1 -ATOM 255 O OH . TYR A 1 32 J 4.575 5.419 30.68 1 28.28 ? OH TYR L 14 1 -ATOM 256 N N . ILE A 1 33 K 1.452 6.501 38.417 1 42.95 ? N ILE L 14 1 -ATOM 257 C CA . ILE A 1 33 K 0.256 6.622 39.254 1 46.68 ? CA ILE L 14 1 -ATOM 258 C C . ILE A 1 33 K -0.515 7.889 38.846 1 47.96 ? C ILE L 14 1 -ATOM 259 O O . ILE A 1 33 K -0.91 8.708 39.687 1 46.99 ? O ILE L 14 1 -ATOM 260 C CB . ILE A 1 33 K 0.683 6.695 40.725 1 48.26 ? CB ILE L 14 1 -ATOM 261 C CG1 . ILE A 1 33 K 2.145 7.123 40.899 1 49.83 ? CG1 ILE L 14 1 -ATOM 262 C CG2 . ILE A 1 33 K 0.559 5.348 41.447 1 46.36 ? CG2 ILE L 14 1 -ATOM 263 C CD1 . ILE A 1 33 K 2.327 8.252 41.914 1 49.5 ? CD1 ILE L 14 1 -ATOM 264 N N . ASP A 1 34 L -0.656 7.914 37.496 1 50 ? N ASP L 14 1 -ATOM 265 C CA . ASP A 1 34 L -1.334 8.967 36.711 1 50 ? CA ASP L 14 1 -ATOM 266 C C . ASP A 1 34 L -0.349 10.085 36.38 1 50 ? C ASP L 14 1 -ATOM 267 O O . ASP A 1 34 L 0.658 9.856 35.691 1 50 ? O ASP L 14 1 -ATOM 268 C CB . ASP A 1 34 L -2.509 9.539 37.487 1 50 ? CB ASP L 14 1 -ATOM 269 C CG . ASP A 1 34 L -3.643 8.529 37.639 1 50 ? CG ASP L 14 1 -ATOM 270 O OD1 . ASP A 1 34 L -3.647 7.72 38.64 1 50 ? OD1 ASP L 14 1 -ATOM 271 O OD2 . ASP A 1 34 L -4.591 8.483 36.763 1 50 ? OD2 ASP L 14 1 -ATOM 272 N N . GLY A 1 35 M -1.331 10.783 35.12 1 50 ? N GLY L 14 1 -ATOM 273 C CA . GLY A 1 35 M -0.796 11.759 34.143 1 50 ? CA GLY L 14 1 -ATOM 274 C C . GLY A 1 35 M -0.423 13.191 34.572 1 50 ? C GLY L 14 1 -ATOM 275 O O . GLY A 1 35 M -0.028 13.533 35.731 1 50 ? O GLY L 14 1 -ATOM 276 N N . ARG A 1 36 . -0.443 14.041 33.527 1 50 ? N ARG L 15 1 -ATOM 277 C CA . ARG A 1 36 . -0.129 15.468 33.676 1 50 ? CA ARG L 15 1 -ATOM 278 C C . ARG A 1 36 . -1.129 16.087 34.7 1 50 ? C ARG L 15 1 -ATOM 279 O O . ARG A 1 36 . -0.921 17.325 34.962 1 50 ? O ARG L 15 1 -ATOM 280 C CB . ARG A 1 36 . -0.096 16.305 32.398 1 50 ? CB ARG L 15 1 -ATOM 281 O OXT . ARG A 1 36 . -1.545 15.254 35.581 1 50 ? OXT ARG L 15 1 -ATOM 282 N N . ILE B 2 1 . 5.007 -9.234 18.432 1 18.53 ? N ILE H 16 1 -ATOM 283 C CA . ILE B 2 1 . 4.405 -8.908 19.756 1 19.89 ? CA ILE H 16 1 -ATOM 284 C C . ILE B 2 1 . 3.332 -9.979 19.935 1 20.59 ? C ILE H 16 1 -ATOM 285 O O . ILE B 2 1 . 2.607 -10.216 18.931 1 21.21 ? O ILE H 16 1 -ATOM 286 C CB . ILE B 2 1 . 3.669 -7.5 19.771 1 19.73 ? CB ILE H 16 1 -ATOM 287 C CG1 . ILE B 2 1 . 4.593 -6.242 19.576 1 20.19 ? CG1 ILE H 16 1 -ATOM 288 C CG2 . ILE B 2 1 . 2.71 -7.287 20.958 1 20.01 ? CG2 ILE H 16 1 -ATOM 289 C CD1 . ILE B 2 1 . 5.618 -5.983 20.709 1 20.24 ? CD1 ILE H 16 1 -ATOM 290 N N . VAL B 2 2 . 3.205 -10.485 21.139 1 22.21 ? N VAL H 17 1 -ATOM 291 C CA . VAL B 2 2 . 2.242 -11.494 21.567 1 24.03 ? CA VAL H 17 1 -ATOM 292 C C . VAL B 2 2 . 1.196 -10.869 22.461 1 26.04 ? C VAL H 17 1 -ATOM 293 O O . VAL B 2 2 . 1.362 -10.254 23.532 1 27.37 ? O VAL H 17 1 -ATOM 294 C CB . VAL B 2 2 . 3.005 -12.701 22.235 1 24.72 ? CB VAL H 17 1 -ATOM 295 C CG1 . VAL B 2 2 . 2.05 -13.698 22.849 1 22.23 ? CG1 VAL H 17 1 -ATOM 296 C CG2 . VAL B 2 2 . 4.026 -13.364 21.35 1 21.33 ? CG2 VAL H 17 1 -ATOM 297 N N . GLU B 2 3 . -0.052 -11.134 22.153 1 27.93 ? N GLU H 18 1 -ATOM 298 C CA . GLU B 2 3 . -1.15 -10.574 22.929 1 30.28 ? CA GLU H 18 1 -ATOM 299 C C . GLU B 2 3 . -1.185 -9.045 22.926 1 30.48 ? C GLU H 18 1 -ATOM 300 O O . GLU B 2 3 . -1.516 -8.486 23.985 1 32.16 ? O GLU H 18 1 -ATOM 301 C CB . GLU B 2 3 . -1.201 -10.996 24.387 1 34.4 ? CB GLU H 18 1 -ATOM 302 C CG . GLU B 2 3 . -1.812 -12.346 24.724 1 38.42 ? CG GLU H 18 1 -ATOM 303 C CD . GLU B 2 3 . -3.232 -12.755 24.595 1 39.85 ? CD GLU H 18 1 -ATOM 304 O OE1 . GLU B 2 3 . -3.734 -12.777 23.441 1 40.47 ? OE1 GLU H 18 1 -ATOM 305 O OE2 . GLU B 2 3 . -3.875 -13.141 25.569 1 41.48 ? OE2 GLU H 18 1 -ATOM 306 N N . GLY B 2 4 . -1.096 -8.39 21.796 1 30.11 ? N GLY H 19 1 -ATOM 307 C CA . GLY B 2 4 . -1.27 -6.944 21.737 1 31.8 ? CA GLY H 19 1 -ATOM 308 C C . GLY B 2 4 . -2.24 -6.624 20.589 1 32.73 ? C GLY H 19 1 -ATOM 309 O O . GLY B 2 4 . -2.534 -7.567 19.846 1 32.52 ? O GLY H 19 1 -ATOM 310 N N . SER B 2 5 . -2.486 -5.343 20.285 1 32.1 ? N SER H 20 1 -ATOM 311 C CA . SER B 2 5 . -3.356 -4.945 19.184 1 31.29 ? CA SER H 20 1 -ATOM 312 C C . SER B 2 5 . -2.563 -4.302 18.056 1 30.12 ? C SER H 20 1 -ATOM 313 O O . SER B 2 5 . -1.343 -4.212 18.11 1 30.57 ? O SER H 20 1 -ATOM 314 C CB . SER B 2 5 . -4.463 -3.987 19.585 1 34.13 ? CB SER H 20 1 -ATOM 315 O OG . SER B 2 5 . -4.17 -3.258 20.76 1 38.32 ? OG SER H 20 1 -ATOM 316 N N . ASP B 2 6 . -3.354 -3.933 17.039 1 29.61 ? N ASP H 21 1 -ATOM 317 C CA . ASP B 2 6 . -2.729 -3.241 15.893 1 28.57 ? CA ASP H 21 1 -ATOM 318 C C . ASP B 2 6 . -2.628 -1.751 16.313 1 26.42 ? C ASP H 21 1 -ATOM 319 O O . ASP B 2 6 . -3.632 -1.206 16.747 1 27.06 ? O ASP H 21 1 -ATOM 320 C CB . ASP B 2 6 . -3.409 -3.336 14.571 1 30.43 ? CB ASP H 21 1 -ATOM 321 C CG . ASP B 2 6 . -3.782 -4.75 14.171 1 30.45 ? CG ASP H 21 1 -ATOM 322 O OD1 . ASP B 2 6 . -2.927 -5.604 14.165 1 31.22 ? OD1 ASP H 21 1 -ATOM 323 O OD2 . ASP B 2 6 . -4.863 -4.892 13.561 1 35.52 ? OD2 ASP H 21 1 -ATOM 324 N N . ALA B 2 7 . -1.466 -1.249 16.129 1 23.9 ? N ALA H 22 1 -ATOM 325 C CA . ALA B 2 7 . -1.197 0.147 16.438 1 25.2 ? CA ALA H 22 1 -ATOM 326 C C . ALA B 2 7 . -2.086 1.04 15.606 1 26.62 ? C ALA H 22 1 -ATOM 327 O O . ALA B 2 7 . -2.3 0.72 14.409 1 29.58 ? O ALA H 22 1 -ATOM 328 C CB . ALA B 2 7 . 0.273 0.324 16.061 1 25.22 ? CB ALA H 22 1 -ATOM 329 N N . GLU B 2 8 . -2.527 2.21 16.058 1 26.59 ? N GLU H 23 1 -ATOM 330 C CA . GLU B 2 8 . -3.235 3.213 15.242 1 23.98 ? CA GLU H 23 1 -ATOM 331 C C . GLU B 2 8 . -2.28 3.858 14.246 1 23.25 ? C GLU H 23 1 -ATOM 332 O O . GLU B 2 8 . -1.031 3.68 14.283 1 22.56 ? O GLU H 23 1 -ATOM 333 C CB . GLU B 2 8 . -3.757 4.294 16.194 1 27.85 ? CB GLU H 23 1 -ATOM 334 C CG . GLU B 2 8 . -4.463 3.712 17.413 1 30.21 ? CG GLU H 23 1 -ATOM 335 C CD . GLU B 2 8 . -5.149 4.677 18.318 1 32.13 ? CD GLU H 23 1 -ATOM 336 O OE1 . GLU B 2 8 . -5.843 5.591 17.919 1 31.94 ? OE1 GLU H 23 1 -ATOM 337 O OE2 . GLU B 2 8 . -5.175 4.332 19.53 1 32.7 ? OE2 GLU H 23 1 -ATOM 338 N N . ILE B 2 9 . -2.88 4.433 13.196 1 21.74 ? N ILE H 24 1 -ATOM 339 C CA . ILE B 2 9 . -2.057 5.092 12.167 1 20.62 ? CA ILE H 24 1 -ATOM 340 C C . ILE B 2 9 . -1.417 6.284 12.935 1 20.45 ? C ILE H 24 1 -ATOM 341 O O . ILE B 2 9 . -2.151 6.982 13.683 1 19.47 ? O ILE H 24 1 -ATOM 342 C CB . ILE B 2 9 . -2.845 5.405 10.852 1 19.05 ? CB ILE H 24 1 -ATOM 343 C CG1 . ILE B 2 9 . -3.561 4.214 10.186 1 15.95 ? CG1 ILE H 24 1 -ATOM 344 C CG2 . ILE B 2 9 . -1.931 6.136 9.818 1 21.89 ? CG2 ILE H 24 1 -ATOM 345 C CD1 . ILE B 2 9 . -2.75 3.576 9.01 1 18.22 ? CD1 ILE H 24 1 -ATOM 346 N N . GLY B 2 10 . -0.168 6.488 12.641 1 17.81 ? N GLY H 25 1 -ATOM 347 C CA . GLY B 2 10 . 0.889 7.333 13.076 1 17.7 ? CA GLY H 25 1 -ATOM 348 C C . GLY B 2 10 . 1.068 7.319 14.571 1 18.4 ? C GLY H 25 1 -ATOM 349 O O . GLY B 2 10 . 1.487 8.32 15.117 1 17.76 ? O GLY H 25 1 -ATOM 350 N N . MET B 2 11 . 0.847 6.214 15.268 1 19.12 ? N MET H 26 1 -ATOM 351 C CA . MET B 2 11 . 0.93 6.047 16.706 1 18.32 ? CA MET H 26 1 -ATOM 352 C C . MET B 2 11 . 2.367 5.88 17.168 1 19.32 ? C MET H 26 1 -ATOM 353 O O . MET B 2 11 . 2.595 6.143 18.354 1 18.55 ? O MET H 26 1 -ATOM 354 C CB . MET B 2 11 . 0.099 4.846 17.093 1 20.77 ? CB MET H 26 1 -ATOM 355 C CG . MET B 2 11 . -0.166 4.613 18.548 1 20.87 ? CG MET H 26 1 -ATOM 356 S SD . MET B 2 11 . -0.677 2.854 18.717 1 24.71 ? SD MET H 26 1 -ATOM 357 C CE . MET B 2 11 . -1.778 2.771 20.124 1 22.76 ? CE MET H 26 1 -ATOM 358 N N . SER B 2 12 . 3.251 5.478 16.278 1 19.44 ? N SER H 27 1 -ATOM 359 C CA . SER B 2 12 . 4.665 5.237 16.482 1 18.57 ? CA SER H 27 1 -ATOM 360 C C . SER B 2 12 . 5.505 5.784 15.329 1 18.48 ? C SER H 27 1 -ATOM 361 O O . SER B 2 12 . 6.165 5.023 14.601 1 16.59 ? O SER H 27 1 -ATOM 362 C CB . SER B 2 12 . 4.698 3.685 16.571 1 22.64 ? CB SER H 27 1 -ATOM 363 O OG . SER B 2 12 . 5.57 3.284 17.617 1 26.28 ? OG SER H 27 1 -ATOM 364 N N . PRO B 2 13 . 5.527 7.102 15.132 1 17.65 ? N PRO H 28 1 -ATOM 365 C CA . PRO B 2 13 . 6.253 7.706 14.026 1 17.32 ? CA PRO H 28 1 -ATOM 366 C C . PRO B 2 13 . 7.75 7.433 14.052 1 17.52 ? C PRO H 28 1 -ATOM 367 O O . PRO B 2 13 . 8.439 7.699 13.019 1 16.77 ? O PRO H 28 1 -ATOM 368 C CB . PRO B 2 13 . 5.982 9.185 14.176 1 16.55 ? CB PRO H 28 1 -ATOM 369 C CG . PRO B 2 13 . 5.097 9.377 15.397 1 16.1 ? CG PRO H 28 1 -ATOM 370 C CD . PRO B 2 13 . 4.819 8.04 16.007 1 16.85 ? CD PRO H 28 1 -ATOM 371 N N . TRP B 2 14 . 8.257 6.915 15.167 1 17.22 ? N TRP H 29 1 -ATOM 372 C CA . TRP B 2 14 . 9.72 6.676 15.333 1 16.59 ? CA TRP H 29 1 -ATOM 373 C C . TRP B 2 14 . 10.133 5.2 15.087 1 18.05 ? C TRP H 29 1 -ATOM 374 O O . TRP B 2 14 . 11.347 4.994 14.781 1 17.12 ? O TRP H 29 1 -ATOM 375 C CB . TRP B 2 14 . 10.155 7.037 16.752 1 11.46 ? CB TRP H 29 1 -ATOM 376 C CG . TRP B 2 14 . 9.126 6.638 17.812 1 11.71 ? CG TRP H 29 1 -ATOM 377 C CD1 . TRP B 2 14 . 8.902 5.41 18.299 1 11.06 ? CD1 TRP H 29 1 -ATOM 378 C CD2 . TRP B 2 14 . 8.234 7.532 18.456 1 13 ? CD2 TRP H 29 1 -ATOM 379 N NE1 . TRP B 2 14 . 7.852 5.525 19.265 1 14.21 ? NE1 TRP H 29 1 -ATOM 380 C CE2 . TRP B 2 14 . 7.475 6.778 19.342 1 14.32 ? CE2 TRP H 29 1 -ATOM 381 C CE3 . TRP B 2 14 . 8.005 8.909 18.362 1 15.73 ? CE3 TRP H 29 1 -ATOM 382 C CZ2 . TRP B 2 14 . 6.482 7.33 20.159 1 13.98 ? CZ2 TRP H 29 1 -ATOM 383 C CZ3 . TRP B 2 14 . 7.004 9.456 19.188 1 15.97 ? CZ3 TRP H 29 1 -ATOM 384 C CH2 . TRP B 2 14 . 6.278 8.702 20.044 1 12.03 ? CH2 TRP H 29 1 -ATOM 385 N N . GLN B 2 15 . 9.158 4.34 14.814 1 19.19 ? N GLN H 30 1 -ATOM 386 C CA . GLN B 2 15 . 9.245 2.867 14.534 1 17.63 ? CA GLN H 30 1 -ATOM 387 C C . GLN B 2 15 . 9.842 2.713 13.176 1 18.8 ? C GLN H 30 1 -ATOM 388 O O . GLN B 2 15 . 9.349 3.379 12.252 1 18.74 ? O GLN H 30 1 -ATOM 389 C CB . GLN B 2 15 . 7.936 2.146 14.67 1 19.85 ? CB GLN H 30 1 -ATOM 390 C CG . GLN B 2 15 . 7.673 0.693 14.471 1 17.84 ? CG GLN H 30 1 -ATOM 391 C CD . GLN B 2 15 . 8.533 -0.093 15.445 1 19.78 ? CD GLN H 30 1 -ATOM 392 O OE1 . GLN B 2 15 . 8.322 0.062 16.625 1 19.47 ? OE1 GLN H 30 1 -ATOM 393 N NE2 . GLN B 2 15 . 9.522 -0.854 15.077 1 17.16 ? NE2 GLN H 30 1 -ATOM 394 N N . VAL B 2 16 . 10.954 2.017 13.13 1 19.6 ? N VAL H 31 1 -ATOM 395 C CA . VAL B 2 16 . 11.776 1.77 11.942 1 20.26 ? CA VAL H 31 1 -ATOM 396 C C . VAL B 2 16 . 11.897 0.266 11.685 1 22.52 ? C VAL H 31 1 -ATOM 397 O O . VAL B 2 16 . 11.848 -0.54 12.626 1 22.51 ? O VAL H 31 1 -ATOM 398 C CB . VAL B 2 16 . 13.167 2.38 12.009 1 21.88 ? CB VAL H 31 1 -ATOM 399 C CG1 . VAL B 2 16 . 13.926 1.966 10.77 1 21.94 ? CG1 VAL H 31 1 -ATOM 400 C CG2 . VAL B 2 16 . 13.141 3.897 12.303 1 20.91 ? CG2 VAL H 31 1 -ATOM 401 N N . MET B 2 17 . 11.834 -0.158 10.445 1 23.32 ? N MET H 32 1 -ATOM 402 C CA . MET B 2 17 . 11.892 -1.572 10.079 1 22.42 ? CA MET H 32 1 -ATOM 403 C C . MET B 2 17 . 13.285 -1.808 9.552 1 21.99 ? C MET H 32 1 -ATOM 404 O O . MET B 2 17 . 13.602 -1.059 8.637 1 22.63 ? O MET H 32 1 -ATOM 405 C CB . MET B 2 17 . 10.86 -1.906 8.996 1 22.64 ? CB MET H 32 1 -ATOM 406 C CG . MET B 2 17 . 11.003 -3.368 8.592 1 22.4 ? CG MET H 32 1 -ATOM 407 S SD . MET B 2 17 . 9.935 -3.74 7.113 1 24.5 ? SD MET H 32 1 -ATOM 408 C CE . MET B 2 17 . 8.447 -3.911 8.059 1 11.74 ? CE MET H 32 1 -ATOM 409 N N . LEU B 2 18 . 14.054 -2.656 10.161 1 22.71 ? N LEU H 33 1 -ATOM 410 C CA . LEU B 2 18 . 15.384 -3.024 9.585 1 24.94 ? CA LEU H 33 1 -ATOM 411 C C . LEU B 2 18 . 15.065 -4.145 8.583 1 25.84 ? C LEU H 33 1 -ATOM 412 O O . LEU B 2 18 . 14.519 -5.197 8.936 1 24.76 ? O LEU H 33 1 -ATOM 413 C CB . LEU B 2 18 . 16.066 -3.364 10.881 1 28.97 ? CB LEU H 33 1 -ATOM 414 C CG . LEU B 2 18 . 17.466 -2.811 11.124 1 32.02 ? CG LEU H 33 1 -ATOM 415 C CD1 . LEU B 2 18 . 18.439 -3.912 11.565 1 34.4 ? CD1 LEU H 33 1 -ATOM 416 C CD2 . LEU B 2 18 . 18.086 -2.137 9.91 1 29.62 ? CD2 LEU H 33 1 -ATOM 417 N N . PHE B 2 19 . 15.389 -3.91 7.335 1 25.49 ? N PHE H 34 1 -ATOM 418 C CA . PHE B 2 19 . 14.972 -4.811 6.251 1 27.56 ? CA PHE H 34 1 -ATOM 419 C C . PHE B 2 19 . 16.177 -5.29 5.422 1 30.42 ? C PHE H 34 1 -ATOM 420 O O . PHE B 2 19 . 17.013 -4.486 4.993 1 31.62 ? O PHE H 34 1 -ATOM 421 C CB . PHE B 2 19 . 13.986 -4 5.4 1 22.69 ? CB PHE H 34 1 -ATOM 422 C CG . PHE B 2 19 . 13.197 -4.805 4.384 1 20.64 ? CG PHE H 34 1 -ATOM 423 C CD1 . PHE B 2 19 . 12.112 -5.589 4.793 1 20.76 ? CD1 PHE H 34 1 -ATOM 424 C CD2 . PHE B 2 19 . 13.56 -4.739 3.04 1 21.98 ? CD2 PHE H 34 1 -ATOM 425 C CE1 . PHE B 2 19 . 11.394 -6.325 3.844 1 20.14 ? CE1 PHE H 34 1 -ATOM 426 C CE2 . PHE B 2 19 . 12.847 -5.476 2.091 1 19.86 ? CE2 PHE H 34 1 -ATOM 427 C CZ . PHE B 2 19 . 11.765 -6.271 2.493 1 22.64 ? CZ PHE H 34 1 -ATOM 428 N N . ARG B 2 20 . 16.245 -6.611 5.211 1 32.32 ? N ARG H 35 1 -ATOM 429 C CA . ARG B 2 20 . 17.329 -7.221 4.402 1 34.03 ? CA ARG H 35 1 -ATOM 430 C C . ARG B 2 20 . 17.021 -7.025 2.922 1 35.22 ? C ARG H 35 1 -ATOM 431 O O . ARG B 2 20 . 15.949 -7.351 2.358 1 34.2 ? O ARG H 35 1 -ATOM 432 C CB . ARG B 2 20 . 17.488 -8.659 4.695 1 35.12 ? CB ARG H 35 1 -ATOM 433 C CG . ARG B 2 20 . 18.895 -9.118 4.431 1 37.86 ? CG ARG H 35 1 -ATOM 434 C CD . ARG B 2 20 . 18.995 -10.558 4.784 1 41.03 ? CD ARG H 35 1 -ATOM 435 N NE . ARG B 2 20 . 20.106 -11.222 4.226 1 41.68 ? NE ARG H 35 1 -ATOM 436 C CZ . ARG B 2 20 . 20.456 -12.442 4.565 1 40.87 ? CZ ARG H 35 1 -ATOM 437 N NH1 . ARG B 2 20 . 19.759 -13.143 5.479 1 38.68 ? NH1 ARG H 35 1 -ATOM 438 N NH2 . ARG B 2 20 . 21.493 -13.05 4.021 1 41.66 ? NH2 ARG H 35 1 -ATOM 439 N N . LYS B 2 21 . 18.048 -6.493 2.239 1 37.18 ? N LYS H 36 1 -ATOM 440 C CA . LYS B 2 21 . 17.828 -6.314 0.779 1 39.96 ? CA LYS H 36 1 -ATOM 441 C C . LYS B 2 21 . 17.622 -7.601 -0.008 1 41.74 ? C LYS H 36 1 -ATOM 442 O O . LYS B 2 21 . 16.826 -7.68 -0.953 1 41.82 ? O LYS H 36 1 -ATOM 443 C CB . LYS B 2 21 . 18.991 -5.572 0.11 1 38.9 ? CB LYS H 36 1 -ATOM 444 C CG . LYS B 2 21 . 18.704 -4.072 0.296 1 38.98 ? CG LYS H 36 1 -ATOM 445 C CD . LYS B 2 21 . 20.01 -3.34 0.528 1 38.83 ? CD LYS H 36 1 -ATOM 446 C CE . LYS B 2 21 . 20.635 -2.651 -0.651 1 37.47 ? CE LYS H 36 1 -ATOM 447 N NZ . LYS B 2 21 . 22.071 -2.387 -0.319 1 39.72 ? NZ LYS H 36 1 -ATOM 448 N N . SER B 2 22 A 18.394 -8.624 0.311 1 43.66 ? N SER H 36 1 -ATOM 449 C CA . SER B 2 22 A 18.438 -9.894 -0.427 1 44.33 ? CA SER H 36 1 -ATOM 450 C C . SER B 2 22 A 18.828 -11.111 0.388 1 44.46 ? C SER H 36 1 -ATOM 451 O O . SER B 2 22 A 20.05 -11.181 0.746 1 45.43 ? O SER H 36 1 -ATOM 452 C CB . SER B 2 22 A 19.581 -9.685 -1.46 1 46.66 ? CB SER H 36 1 -ATOM 453 O OG . SER B 2 22 A 19.154 -9.97 -2.804 1 50 ? OG SER H 36 1 -ATOM 454 N N . PRO B 2 23 . 17.942 -12.032 0.707 1 43.33 ? N PRO H 37 1 -ATOM 455 C CA . PRO B 2 23 . 16.528 -12.05 0.412 1 43.67 ? CA PRO H 37 1 -ATOM 456 C C . PRO B 2 23 . 15.86 -10.882 1.132 1 43.95 ? C PRO H 37 1 -ATOM 457 O O . PRO B 2 23 . 16.169 -10.647 2.311 1 44.65 ? O PRO H 37 1 -ATOM 458 C CB . PRO B 2 23 . 16.017 -13.353 1.007 1 43.39 ? CB PRO H 37 1 -ATOM 459 C CG . PRO B 2 23 . 17.114 -14.001 1.781 1 42.94 ? CG PRO H 37 1 -ATOM 460 C CD . PRO B 2 23 . 18.347 -13.183 1.509 1 43.17 ? CD PRO H 37 1 -ATOM 461 N N . GLN B 2 24 . 15.002 -10.196 0.42 1 43.99 ? N GLN H 38 1 -ATOM 462 C CA . GLN B 2 24 . 14.29 -9.017 0.932 1 44.11 ? CA GLN H 38 1 -ATOM 463 C C . GLN B 2 24 . 13.404 -9.497 2.093 1 43.36 ? C GLN H 38 1 -ATOM 464 O O . GLN B 2 24 . 12.445 -10.155 1.701 1 44.01 ? O GLN H 38 1 -ATOM 465 C CB . GLN B 2 24 . 13.41 -8.325 -0.107 1 45.68 ? CB GLN H 38 1 -ATOM 466 C CG . GLN B 2 24 . 14.11 -7.076 -0.663 1 47.38 ? CG GLN H 38 1 -ATOM 467 C CD . GLN B 2 24 . 13.443 -6.617 -1.957 1 46.6 ? CD GLN H 38 1 -ATOM 468 O OE1 . GLN B 2 24 . 14.161 -6.314 -2.914 1 46.02 ? OE1 GLN H 38 1 -ATOM 469 N NE2 . GLN B 2 24 . 12.11 -6.664 -1.889 1 45.76 ? NE2 GLN H 38 1 -ATOM 470 N N . GLU B 2 25 . 13.861 -9.192 3.295 1 42.24 ? N GLU H 39 1 -ATOM 471 C CA . GLU B 2 25 . 13.209 -9.571 4.535 1 39.85 ? CA GLU H 39 1 -ATOM 472 C C . GLU B 2 25 . 13.488 -8.679 5.746 1 37.29 ? C GLU H 39 1 -ATOM 473 O O . GLU B 2 25 . 14.554 -8.118 5.977 1 36.66 ? O GLU H 39 1 -ATOM 474 C CB . GLU B 2 25 . 13.643 -10.996 4.96 1 40.4 ? CB GLU H 39 1 -ATOM 475 C CG . GLU B 2 25 . 15.128 -11.269 4.788 1 43.66 ? CG GLU H 39 1 -ATOM 476 C CD . GLU B 2 25 . 15.717 -12.453 5.502 1 45.73 ? CD GLU H 39 1 -ATOM 477 O OE1 . GLU B 2 25 . 14.86 -13.263 5.919 1 44.4 ? OE1 GLU H 39 1 -ATOM 478 O OE2 . GLU B 2 25 . 16.932 -12.47 5.731 1 47.29 ? OE2 GLU H 39 1 -ATOM 479 N N . LEU B 2 26 . 12.48 -8.664 6.604 1 35.35 ? N LEU H 40 1 -ATOM 480 C CA . LEU B 2 26 . 12.47 -7.937 7.839 1 33.51 ? CA LEU H 40 1 -ATOM 481 C C . LEU B 2 26 . 13.515 -8.575 8.765 1 32.79 ? C LEU H 40 1 -ATOM 482 O O . LEU B 2 26 . 13.179 -9.733 9.088 1 33.08 ? O LEU H 40 1 -ATOM 483 C CB . LEU B 2 26 . 11.118 -8.107 8.577 1 31.95 ? CB LEU H 40 1 -ATOM 484 C CG . LEU B 2 26 . 11.169 -7.52 9.998 1 32.32 ? CG LEU H 40 1 -ATOM 485 C CD1 . LEU B 2 26 . 11.304 -6.003 9.929 1 28.89 ? CD1 LEU H 40 1 -ATOM 486 C CD2 . LEU B 2 26 . 9.905 -7.857 10.78 1 30.63 ? CD2 LEU H 40 1 -ATOM 487 N N . LEU B 2 27 . 14.526 -7.849 9.181 1 30.81 ? N LEU H 41 1 -ATOM 488 C CA . LEU B 2 27 . 15.514 -8.352 10.105 1 28.2 ? CA LEU H 41 1 -ATOM 489 C C . LEU B 2 27 . 15.056 -8.073 11.52 1 27.29 ? C LEU H 41 1 -ATOM 490 O O . LEU B 2 27 . 15.055 -8.995 12.36 1 27.39 ? O LEU H 41 1 -ATOM 491 C CB . LEU B 2 27 . 16.864 -7.736 9.803 1 29.78 ? CB LEU H 41 1 -ATOM 492 C CG . LEU B 2 27 . 17.501 -8.263 8.506 1 35.94 ? CG LEU H 41 1 -ATOM 493 C CD1 . LEU B 2 27 . 18.988 -7.891 8.626 1 34.82 ? CD1 LEU H 41 1 -ATOM 494 C CD2 . LEU B 2 27 . 17.279 -9.765 8.28 1 31.35 ? CD2 LEU H 41 1 -ATOM 495 N N . CYS B 2 28 . 14.727 -6.837 11.782 1 24.3 ? N CYS H 42 1 -ATOM 496 C CA . CYS B 2 28 . 14.389 -6.308 13.119 1 20.93 ? CA CYS H 42 1 -ATOM 497 C C . CYS B 2 28 . 13.67 -4.96 13.028 1 18.26 ? C CYS H 42 1 -ATOM 498 O O . CYS B 2 28 . 13.381 -4.452 11.933 1 16.91 ? O CYS H 42 1 -ATOM 499 C CB . CYS B 2 28 . 15.655 -6.023 13.965 1 23.97 ? CB CYS H 42 1 -ATOM 500 S SG . CYS B 2 28 . 16.68 -7.507 14.425 1 22.06 ? SG CYS H 42 1 -ATOM 501 N N . GLY B 2 29 . 13.419 -4.438 14.211 1 17.59 ? N GLY H 43 1 -ATOM 502 C CA . GLY B 2 29 . 12.797 -3.134 14.405 1 17.36 ? CA GLY H 43 1 -ATOM 503 C C . GLY B 2 29 . 13.922 -2.12 14.643 1 17.56 ? C GLY H 43 1 -ATOM 504 O O . GLY B 2 29 . 15.109 -2.505 14.743 1 16.84 ? O GLY H 43 1 -ATOM 505 N N . ALA B 2 30 . 13.587 -0.942 15.156 1 16.93 ? N ALA H 44 1 -ATOM 506 C CA . ALA B 2 30 . 14.611 0.12 15.297 1 16.27 ? CA ALA H 44 1 -ATOM 507 C C . ALA B 2 30 . 13.847 1.404 15.65 1 16.81 ? C ALA H 44 1 -ATOM 508 O O . ALA B 2 30 . 12.59 1.328 15.828 1 15.5 ? O ALA H 44 1 -ATOM 509 C CB . ALA B 2 30 . 15.513 0.118 14.056 1 10.15 ? CB ALA H 44 1 -ATOM 510 N N . SER B 2 31 . 14.569 2.406 16.122 1 16.5 ? N SER H 45 1 -ATOM 511 C CA . SER B 2 31 . 13.839 3.662 16.477 1 18.05 ? CA SER H 45 1 -ATOM 512 C C . SER B 2 31 . 14.578 4.855 15.835 1 19.37 ? C SER H 45 1 -ATOM 513 O O . SER B 2 31 . 15.766 4.676 15.549 1 20.38 ? O SER H 45 1 -ATOM 514 C CB . SER B 2 31 . 13.522 3.815 17.912 1 17.34 ? CB SER H 45 1 -ATOM 515 O OG . SER B 2 31 . 14.715 4.109 18.707 1 24.36 ? OG SER H 45 1 -ATOM 516 N N . LEU B 2 32 . 13.84 5.884 15.394 1 20.65 ? N LEU H 46 1 -ATOM 517 C CA . LEU B 2 32 . 14.395 7.086 14.733 1 20.64 ? CA LEU H 46 1 -ATOM 518 C C . LEU B 2 32 . 14.684 8.052 15.911 1 20.01 ? C LEU H 46 1 -ATOM 519 O O . LEU B 2 32 . 13.691 8.36 16.55 1 17.96 ? O LEU H 46 1 -ATOM 520 C CB . LEU B 2 32 . 13.383 7.794 13.811 1 19.79 ? CB LEU H 46 1 -ATOM 521 C CG . LEU B 2 32 . 13.643 8.437 12.488 1 18.58 ? CG LEU H 46 1 -ATOM 522 C CD1 . LEU B 2 32 . 13.002 9.854 12.462 1 16.84 ? CD1 LEU H 46 1 -ATOM 523 C CD2 . LEU B 2 32 . 15.079 8.627 11.999 1 12.37 ? CD2 LEU H 46 1 -ATOM 524 N N . ILE B 2 33 . 15.923 8.509 15.991 1 22.16 ? N ILE H 47 1 -ATOM 525 C CA . ILE B 2 33 . 16.264 9.413 17.13 1 25.24 ? CA ILE H 47 1 -ATOM 526 C C . ILE B 2 33 . 16.73 10.804 16.672 1 25.17 ? C ILE H 47 1 -ATOM 527 O O . ILE B 2 33 . 16.779 11.797 17.422 1 25.88 ? O ILE H 47 1 -ATOM 528 C CB . ILE B 2 33 . 17.189 8.699 18.197 1 20.82 ? CB ILE H 47 1 -ATOM 529 C CG1 . ILE B 2 33 . 18.563 8.303 17.646 1 24.87 ? CG1 ILE H 47 1 -ATOM 530 C CG2 . ILE B 2 33 . 16.538 7.44 18.794 1 19.19 ? CG2 ILE H 47 1 -ATOM 531 C CD1 . ILE B 2 33 . 19.479 7.726 18.8 1 25.57 ? CD1 ILE H 47 1 -ATOM 532 N N . SER B 2 34 . 16.64 11.044 15.394 1 27.04 ? N SER H 48 1 -ATOM 533 C CA . SER B 2 34 . 16.975 12.384 14.818 1 27.1 ? CA SER H 48 1 -ATOM 534 C C . SER B 2 34 . 16.711 12.229 13.33 1 28.21 ? C SER H 48 1 -ATOM 535 O O . SER B 2 34 . 16.149 11.124 13.072 1 27.4 ? O SER H 48 1 -ATOM 536 C CB . SER B 2 34 . 18.342 12.693 15.301 1 25.32 ? CB SER H 48 1 -ATOM 537 O OG . SER B 2 34 . 19.331 12.446 14.337 1 29.07 ? OG SER H 48 1 -ATOM 538 N N . ASP B 2 35 . 16.977 13.169 12.42 1 27.51 ? N ASP H 49 1 -ATOM 539 C CA . ASP B 2 35 . 16.672 12.799 11.014 1 27.92 ? CA ASP H 49 1 -ATOM 540 C C . ASP B 2 35 . 17.792 11.983 10.347 1 27.07 ? C ASP H 49 1 -ATOM 541 O O . ASP B 2 35 . 17.57 11.509 9.206 1 26.96 ? O ASP H 49 1 -ATOM 542 C CB . ASP B 2 35 . 16.309 14.067 10.23 1 31.97 ? CB ASP H 49 1 -ATOM 543 C CG . ASP B 2 35 . 17.548 14.957 10.295 1 32.49 ? CG ASP H 49 1 -ATOM 544 O OD1 . ASP B 2 35 . 18.084 14.87 11.413 1 35.47 ? OD1 ASP H 49 1 -ATOM 545 O OD2 . ASP B 2 35 . 18 15.601 9.354 1 36.28 ? OD2 ASP H 49 1 -ATOM 546 N N . ARG B 2 36 . 18.941 11.816 10.961 1 25.37 ? N ARG H 50 1 -ATOM 547 C CA . ARG B 2 36 . 20.067 11.049 10.405 1 24.44 ? CA ARG H 50 1 -ATOM 548 C C . ARG B 2 36 . 20.443 9.772 11.187 1 22.61 ? C ARG H 50 1 -ATOM 549 O O . ARG B 2 36 . 21.352 9.032 10.721 1 20.45 ? O ARG H 50 1 -ATOM 550 C CB . ARG B 2 36 . 21.392 11.868 10.431 1 25.69 ? CB ARG H 50 1 -ATOM 551 C CG . ARG B 2 36 . 21.591 12.83 9.312 1 30.17 ? CG ARG H 50 1 -ATOM 552 C CD . ARG B 2 36 . 21.947 12.236 8.003 1 33.06 ? CD ARG H 50 1 -ATOM 553 N NE . ARG B 2 36 . 23.264 11.622 8.057 1 37.3 ? NE ARG H 50 1 -ATOM 554 C CZ . ARG B 2 36 . 24.201 11.515 7.116 1 37.52 ? CZ ARG H 50 1 -ATOM 555 N NH1 . ARG B 2 36 . 23.948 12.001 5.88 1 40.11 ? NH1 ARG H 50 1 -ATOM 556 N NH2 . ARG B 2 36 . 25.337 10.843 7.39 1 33.83 ? NH2 ARG H 50 1 -ATOM 557 N N . TRP B 2 37 . 19.92 9.588 12.371 1 22.04 ? N TRP H 51 1 -ATOM 558 C CA . TRP B 2 37 . 20.218 8.436 13.268 1 22.73 ? CA TRP H 51 1 -ATOM 559 C C . TRP B 2 37 . 18.97 7.608 13.647 1 22.44 ? C TRP H 51 1 -ATOM 560 O O . TRP B 2 37 . 17.96 8.042 14.235 1 21.23 ? O TRP H 51 1 -ATOM 561 C CB . TRP B 2 37 . 20.969 8.932 14.515 1 24.41 ? CB TRP H 51 1 -ATOM 562 C CG . TRP B 2 37 . 22.33 9.582 14.221 1 28.35 ? CG TRP H 51 1 -ATOM 563 C CD1 . TRP B 2 37 . 22.573 10.881 13.992 1 31.34 ? CD1 TRP H 51 1 -ATOM 564 C CD2 . TRP B 2 37 . 23.573 8.893 14.153 1 30.4 ? CD2 TRP H 51 1 -ATOM 565 N NE1 . TRP B 2 37 . 23.981 11.018 13.769 1 30.62 ? NE1 TRP H 51 1 -ATOM 566 C CE2 . TRP B 2 37 . 24.549 9.841 13.868 1 31 ? CE2 TRP H 51 1 -ATOM 567 C CE3 . TRP B 2 37 . 23.948 7.553 14.307 1 32.71 ? CE3 TRP H 51 1 -ATOM 568 C CZ2 . TRP B 2 37 . 25.906 9.522 13.723 1 31.9 ? CZ2 TRP H 51 1 -ATOM 569 C CZ3 . TRP B 2 37 . 25.317 7.242 14.16 1 32.35 ? CZ3 TRP H 51 1 -ATOM 570 C CH2 . TRP B 2 37 . 26.249 8.182 13.882 1 33.38 ? CH2 TRP H 51 1 -ATOM 571 N N . VAL B 2 38 . 19.251 6.297 13.659 1 21.83 ? N VAL H 52 1 -ATOM 572 C CA . VAL B 2 38 . 18.36 5.214 14.036 1 20.35 ? CA VAL H 52 1 -ATOM 573 C C . VAL B 2 38 . 19.038 4.348 15.118 1 20.98 ? C VAL H 52 1 -ATOM 574 O O . VAL B 2 38 . 20.219 4.1 14.913 1 20.62 ? O VAL H 52 1 -ATOM 575 C CB . VAL B 2 38 . 18.084 4.359 12.749 1 21.98 ? CB VAL H 52 1 -ATOM 576 C CG1 . VAL B 2 38 . 17.519 2.994 13.027 1 16.77 ? CG1 VAL H 52 1 -ATOM 577 C CG2 . VAL B 2 38 . 17.261 5.182 11.729 1 22.4 ? CG2 VAL H 52 1 -ATOM 578 N N . LEU B 2 39 . 18.356 3.848 16.104 1 18.43 ? N LEU H 53 1 -ATOM 579 C CA . LEU B 2 39 . 18.891 3.027 17.154 1 20.51 ? CA LEU H 53 1 -ATOM 580 C C . LEU B 2 39 . 18.177 1.65 17.161 1 20.64 ? C LEU H 53 1 -ATOM 581 O O . LEU B 2 39 . 16.966 1.534 17.044 1 20.01 ? O LEU H 53 1 -ATOM 582 C CB . LEU B 2 39 . 18.754 3.782 18.481 1 17.62 ? CB LEU H 53 1 -ATOM 583 C CG . LEU B 2 39 . 19.13 3.065 19.757 1 16.45 ? CG LEU H 53 1 -ATOM 584 C CD1 . LEU B 2 39 . 20.651 3.116 19.87 1 15.81 ? CD1 LEU H 53 1 -ATOM 585 C CD2 . LEU B 2 39 . 18.411 3.762 20.878 1 14.14 ? CD2 LEU H 53 1 -ATOM 586 N N . THR B 2 40 . 19.037 0.628 17.309 1 21.29 ? N THR H 54 1 -ATOM 587 C CA . THR B 2 40 . 18.578 -0.791 17.3 1 21.19 ? CA THR H 54 1 -ATOM 588 C C . THR B 2 40 . 19.458 -1.686 18.135 1 20.42 ? C THR H 54 1 -ATOM 589 O O . THR B 2 40 . 20.478 -1.232 18.701 1 19.12 ? O THR H 54 1 -ATOM 590 C CB . THR B 2 40 . 18.548 -1.208 15.765 1 21.7 ? CB THR H 54 1 -ATOM 591 O OG1 . THR B 2 40 . 17.709 -2.408 15.766 1 25.33 ? OG1 THR H 54 1 -ATOM 592 C CG2 . THR B 2 40 . 19.946 -1.415 15.209 1 19.02 ? CG2 THR H 54 1 -ATOM 593 N N . ALA B 2 41 . 19.098 -2.968 18.288 1 21.07 ? N ALA H 55 1 -ATOM 594 C CA . ALA B 2 41 . 19.953 -3.873 19.16 1 19.45 ? CA ALA H 55 1 -ATOM 595 C C . ALA B 2 41 . 21.261 -4.205 18.477 1 19.46 ? C ALA H 55 1 -ATOM 596 O O . ALA B 2 41 . 21.084 -4.56 17.272 1 19.85 ? O ALA H 55 1 -ATOM 597 C CB . ALA B 2 41 . 19.093 -5.068 19.462 1 13.92 ? CB ALA H 55 1 -ATOM 598 N N . ALA B 2 42 . 22.463 -4.345 19.069 1 18.77 ? N ALA H 56 1 -ATOM 599 C CA . ALA B 2 42 . 23.578 -4.841 18.211 1 17.95 ? CA ALA H 56 1 -ATOM 600 C C . ALA B 2 42 . 23.324 -6.299 17.774 1 18.35 ? C ALA H 56 1 -ATOM 601 O O . ALA B 2 42 . 23.758 -6.703 16.727 1 17.63 ? O ALA H 56 1 -ATOM 602 C CB . ALA B 2 42 . 24.955 -4.793 18.808 1 15.17 ? CB ALA H 56 1 -ATOM 603 N N . HIS B 2 43 . 22.567 -7.149 18.452 1 19.16 ? N HIS H 57 1 -ATOM 604 C CA . HIS B 2 43 . 22.48 -8.53 17.922 1 20.49 ? CA HIS H 57 1 -ATOM 605 C C . HIS B 2 43 . 21.747 -8.541 16.602 1 22.53 ? C HIS H 57 1 -ATOM 606 O O . HIS B 2 43 . 22.047 -9.503 15.823 1 23.53 ? O HIS H 57 1 -ATOM 607 C CB . HIS B 2 43 . 22.061 -9.53 18.995 1 17.36 ? CB HIS H 57 1 -ATOM 608 C CG . HIS B 2 43 . 20.553 -9.555 19.058 1 17.78 ? CG HIS H 57 1 -ATOM 609 N ND1 . HIS B 2 43 . 19.845 -8.911 20.051 1 16.7 ? ND1 HIS H 57 1 -ATOM 610 C CD2 . HIS B 2 43 . 19.684 -10.156 18.205 1 15.97 ? CD2 HIS H 57 1 -ATOM 611 C CE1 . HIS B 2 43 . 18.543 -9.111 19.837 1 14.85 ? CE1 HIS H 57 1 -ATOM 612 N NE2 . HIS B 2 43 . 18.447 -9.788 18.7 1 18.11 ? NE2 HIS H 57 1 -ATOM 613 N N . CYS B 2 44 . 20.953 -7.579 16.173 1 21.52 ? N CYS H 58 1 -ATOM 614 C CA . CYS B 2 44 . 20.372 -7.518 14.827 1 22.26 ? CA CYS H 58 1 -ATOM 615 C C . CYS B 2 44 . 21.406 -7.47 13.702 1 23.86 ? C CYS H 58 1 -ATOM 616 O O . CYS B 2 44 . 21.257 -7.936 12.509 1 24.85 ? O CYS H 58 1 -ATOM 617 C CB . CYS B 2 44 . 19.497 -6.245 14.779 1 21.61 ? CB CYS H 58 1 -ATOM 618 S SG . CYS B 2 44 . 18.001 -6.459 15.843 1 25.26 ? SG CYS H 58 1 -ATOM 619 N N . LEU B 2 45 . 22.579 -6.964 14.063 1 23.46 ? N LEU H 59 1 -ATOM 620 C CA . LEU B 2 45 . 23.679 -6.748 13.08 1 23.96 ? CA LEU H 59 1 -ATOM 621 C C . LEU B 2 45 . 24.789 -7.778 13.166 1 24.51 ? C LEU H 59 1 -ATOM 622 O O . LEU B 2 45 . 25.204 -8.235 12.094 1 24.36 ? O LEU H 59 1 -ATOM 623 C CB . LEU B 2 45 . 24.16 -5.283 13.369 1 24.9 ? CB LEU H 59 1 -ATOM 624 C CG . LEU B 2 45 . 23.048 -4.199 13.445 1 26.66 ? CG LEU H 59 1 -ATOM 625 C CD1 . LEU B 2 45 . 23.32 -2.92 14.213 1 23.16 ? CD1 LEU H 59 1 -ATOM 626 C CD2 . LEU B 2 45 . 22.714 -3.877 11.97 1 23.55 ? CD2 LEU H 59 1 -ATOM 627 N N . LEU B 2 46 . 25.218 -8.237 14.334 1 24.55 ? N LEU H 60 1 -ATOM 628 C CA . LEU B 2 46 . 26.325 -9.135 14.631 1 24.3 ? CA LEU H 60 1 -ATOM 629 C C . LEU B 2 46 . 26.011 -10.207 15.694 1 25.82 ? C LEU H 60 1 -ATOM 630 O O . LEU B 2 46 . 25.676 -9.949 16.852 1 24.9 ? O LEU H 60 1 -ATOM 631 C CB . LEU B 2 46 . 27.432 -8.245 15.194 1 27.72 ? CB LEU H 60 1 -ATOM 632 C CG . LEU B 2 46 . 28.815 -8.843 15.396 1 27.63 ? CG LEU H 60 1 -ATOM 633 C CD1 . LEU B 2 46 . 29.307 -9.527 14.148 1 28.86 ? CD1 LEU H 60 1 -ATOM 634 C CD2 . LEU B 2 46 . 29.726 -7.692 15.776 1 27.29 ? CD2 LEU H 60 1 -ATOM 635 N N . TYR B 2 47 A 26.26 -11.444 15.279 1 26.04 ? N TYR H 60 1 -ATOM 636 C CA . TYR B 2 47 A 25.978 -12.607 16.15 1 26.6 ? CA TYR H 60 1 -ATOM 637 C C . TYR B 2 47 A 26.831 -13.707 15.513 1 27.79 ? C TYR H 60 1 -ATOM 638 O O . TYR B 2 47 A 26.403 -14.432 14.628 1 28.2 ? O TYR H 60 1 -ATOM 639 C CB . TYR B 2 47 A 24.479 -12.858 16.056 1 27.3 ? CB TYR H 60 1 -ATOM 640 C CG . TYR B 2 47 A 24.256 -13.794 17.239 1 29.26 ? CG TYR H 60 1 -ATOM 641 C CD1 . TYR B 2 47 A 24.697 -13.37 18.494 1 29.53 ? CD1 TYR H 60 1 -ATOM 642 C CD2 . TYR B 2 47 A 23.714 -15.07 17.08 1 29.98 ? CD2 TYR H 60 1 -ATOM 643 C CE1 . TYR B 2 47 A 24.593 -14.21 19.594 1 33.09 ? CE1 TYR H 60 1 -ATOM 644 C CE2 . TYR B 2 47 A 23.612 -15.92 18.184 1 33.14 ? CE2 TYR H 60 1 -ATOM 645 C CZ . TYR B 2 47 A 24.052 -15.487 19.442 1 35.35 ? CZ TYR H 60 1 -ATOM 646 O OH . TYR B 2 47 A 23.95 -16.306 20.517 1 37.73 ? OH TYR H 60 1 -ATOM 647 N N . PRO B 2 48 B 28.11 -13.603 15.809 1 28.35 ? N PRO H 60 1 -ATOM 648 C CA . PRO B 2 48 B 29.126 -14.405 15.137 1 29.92 ? CA PRO H 60 1 -ATOM 649 C C . PRO B 2 48 B 28.855 -15.906 15.171 1 30.73 ? C PRO H 60 1 -ATOM 650 O O . PRO B 2 48 B 29.192 -16.617 14.19 1 32.16 ? O PRO H 60 1 -ATOM 651 C CB . PRO B 2 48 B 30.411 -13.927 15.779 1 29.5 ? CB PRO H 60 1 -ATOM 652 C CG . PRO B 2 48 B 30.112 -12.78 16.67 1 28.27 ? CG PRO H 60 1 -ATOM 653 C CD . PRO B 2 48 B 28.63 -12.685 16.832 1 28.31 ? CD PRO H 60 1 -ATOM 654 N N . PRO B 2 49 C 28.237 -16.33 16.247 1 30.14 ? N PRO H 60 1 -ATOM 655 C CA . PRO B 2 49 C 27.889 -17.68 16.541 1 30.94 ? CA PRO H 60 1 -ATOM 656 C C . PRO B 2 49 C 26.9 -18.323 15.62 1 32.89 ? C PRO H 60 1 -ATOM 657 O O . PRO B 2 49 C 26.607 -19.542 15.829 1 35.31 ? O PRO H 60 1 -ATOM 658 C CB . PRO B 2 49 C 27.198 -17.701 17.901 1 30.46 ? CB PRO H 60 1 -ATOM 659 C CG . PRO B 2 49 C 27.323 -16.358 18.461 1 30.98 ? CG PRO H 60 1 -ATOM 660 C CD . PRO B 2 49 C 27.946 -15.463 17.391 1 31.37 ? CD PRO H 60 1 -ATOM 661 N N . TRP B 2 50 D 26.083 -17.508 15.006 1 33.01 ? N TRP H 60 1 -ATOM 662 C CA . TRP B 2 50 D 25.103 -17.998 14.056 1 31.58 ? CA TRP H 60 1 -ATOM 663 C C . TRP B 2 50 D 25.75 -17.357 12.825 1 32.03 ? C TRP H 60 1 -ATOM 664 O O . TRP B 2 50 D 24.91 -16.775 12.12 1 34.93 ? O TRP H 60 1 -ATOM 665 C CB . TRP B 2 50 D 23.715 -17.494 14.089 1 31.11 ? CB TRP H 60 1 -ATOM 666 C CG . TRP B 2 50 D 22.817 -18.069 15.16 1 33.16 ? CG TRP H 60 1 -ATOM 667 C CD1 . TRP B 2 50 D 23.086 -19.069 16.003 1 35.99 ? CD1 TRP H 60 1 -ATOM 668 C CD2 . TRP B 2 50 D 21.509 -17.598 15.415 1 35.86 ? CD2 TRP H 60 1 -ATOM 669 N NE1 . TRP B 2 50 D 21.931 -19.226 16.834 1 36.66 ? NE1 TRP H 60 1 -ATOM 670 C CE2 . TRP B 2 50 D 21.02 -18.346 16.476 1 37.39 ? CE2 TRP H 60 1 -ATOM 671 C CE3 . TRP B 2 50 D 20.708 -16.599 14.851 1 38.58 ? CE3 TRP H 60 1 -ATOM 672 C CZ2 . TRP B 2 50 D 19.753 -18.138 17.034 1 41.07 ? CZ2 TRP H 60 1 -ATOM 673 C CZ3 . TRP B 2 50 D 19.43 -16.403 15.413 1 41.97 ? CZ3 TRP H 60 1 -ATOM 674 C CH2 . TRP B 2 50 D 18.977 -17.135 16.456 1 40.99 ? CH2 TRP H 60 1 -ATOM 675 N N . ASP B 2 51 E 27.004 -17.037 12.882 1 32.27 ? N ASP H 60 1 -ATOM 676 C CA . ASP B 2 51 E 27.537 -16.444 11.607 1 32.73 ? CA ASP H 60 1 -ATOM 677 C C . ASP B 2 51 E 26.999 -15.153 11.036 1 31.94 ? C ASP H 60 1 -ATOM 678 O O . ASP B 2 51 E 27.269 -14.866 9.856 1 32.06 ? O ASP H 60 1 -ATOM 679 C CB . ASP B 2 51 E 27.138 -17.554 10.62 1 34.09 ? CB ASP H 60 1 -ATOM 680 C CG . ASP B 2 51 E 28.257 -18.597 10.764 1 38.57 ? CG ASP H 60 1 -ATOM 681 O OD1 . ASP B 2 51 E 29.358 -18.096 10.481 1 39.82 ? OD1 ASP H 60 1 -ATOM 682 O OD2 . ASP B 2 51 E 27.942 -19.738 11.142 1 41.33 ? OD2 ASP H 60 1 -ATOM 683 N N . LYS B 2 52 F 26.234 -14.421 11.811 1 32.69 ? N LYS H 60 1 -ATOM 684 C CA . LYS B 2 52 F 25.635 -13.114 11.448 1 31.53 ? CA LYS H 60 1 -ATOM 685 C C . LYS B 2 52 F 26.511 -11.897 11.799 1 31.7 ? C LYS H 60 1 -ATOM 686 O O . LYS B 2 52 F 26.975 -11.577 12.918 1 31.12 ? O LYS H 60 1 -ATOM 687 C CB . LYS B 2 52 F 24.262 -12.98 12.057 1 26.69 ? CB LYS H 60 1 -ATOM 688 C CG . LYS B 2 52 F 23.994 -11.487 12.133 1 26.03 ? CG LYS H 60 1 -ATOM 689 C CD . LYS B 2 52 F 22.522 -11.308 12.159 1 27.53 ? CD LYS H 60 1 -ATOM 690 C CE . LYS B 2 52 F 21.749 -12.31 12.967 1 25.02 ? CE LYS H 60 1 -ATOM 691 N NZ . LYS B 2 52 F 20.715 -11.47 13.665 1 26.21 ? NZ LYS H 60 1 -ATOM 692 N N . ASN B 2 53 G 26.729 -11.175 10.701 1 32.53 ? N ASN H 60 1 -ATOM 693 C CA . ASN B 2 53 G 27.514 -9.983 10.546 1 32.32 ? CA ASN H 60 1 -ATOM 694 C C . ASN B 2 53 G 27.005 -9.065 9.437 1 33.04 ? C ASN H 60 1 -ATOM 695 O O . ASN B 2 53 G 27.75 -8.94 8.437 1 33.54 ? O ASN H 60 1 -ATOM 696 C CB . ASN B 2 53 G 28.997 -10.256 10.235 1 35.07 ? CB ASN H 60 1 -ATOM 697 C CG . ASN B 2 53 G 29.689 -8.923 10.422 1 39.08 ? CG ASN H 60 1 -ATOM 698 O OD1 . ASN B 2 53 G 29.374 -8.298 11.462 1 43.6 ? OD1 ASN H 60 1 -ATOM 699 N ND2 . ASN B 2 53 G 30.402 -8.341 9.469 1 41.53 ? ND2 ASN H 60 1 -ATOM 700 N N . PHE B 2 54 H 25.877 -8.43 9.643 1 32.77 ? N PHE H 60 1 -ATOM 701 C CA . PHE B 2 54 H 25.377 -7.458 8.628 1 34.02 ? CA PHE H 60 1 -ATOM 702 C C . PHE B 2 54 H 26.23 -6.191 8.539 1 35.49 ? C PHE H 60 1 -ATOM 703 O O . PHE B 2 54 H 26.598 -5.489 9.48 1 36.4 ? O PHE H 60 1 -ATOM 704 C CB . PHE B 2 54 H 23.91 -7.123 8.87 1 26.73 ? CB PHE H 60 1 -ATOM 705 C CG . PHE B 2 54 H 23.032 -8.356 8.717 1 21.75 ? CG PHE H 60 1 -ATOM 706 C CD1 . PHE B 2 54 H 23.137 -9.132 7.561 1 21.25 ? CD1 PHE H 60 1 -ATOM 707 C CD2 . PHE B 2 54 H 22.136 -8.71 9.728 1 20.35 ? CD2 PHE H 60 1 -ATOM 708 C CE1 . PHE B 2 54 H 22.348 -10.273 7.414 1 22.3 ? CE1 PHE H 60 1 -ATOM 709 C CE2 . PHE B 2 54 H 21.346 -9.855 9.584 1 20.01 ? CE2 PHE H 60 1 -ATOM 710 C CZ . PHE B 2 54 H 21.453 -10.637 8.427 1 19.38 ? CZ PHE H 60 1 -ATOM 711 N N . THR B 2 55 I 26.595 -5.869 7.343 1 37.9 ? N THR H 60 1 -ATOM 712 C CA . THR B 2 55 I 27.323 -4.68 6.834 1 40.03 ? CA THR H 60 1 -ATOM 713 C C . THR B 2 55 I 26.274 -3.66 6.362 1 40.81 ? C THR H 60 1 -ATOM 714 O O . THR B 2 55 I 25.038 -3.883 6.253 1 39.99 ? O THR H 60 1 -ATOM 715 C CB . THR B 2 55 I 28.327 -5.246 5.768 1 40.89 ? CB THR H 60 1 -ATOM 716 O OG1 . THR B 2 55 I 28.336 -4.494 4.53 1 43.48 ? OG1 THR H 60 1 -ATOM 717 C CG2 . THR B 2 55 I 27.864 -6.71 5.477 1 41.88 ? CG2 THR H 60 1 -ATOM 718 N N . GLU B 2 56 . 26.787 -2.457 6.159 1 41.55 ? N GLU H 61 1 -ATOM 719 C CA . GLU B 2 56 . 26.017 -1.278 5.732 1 42.68 ? CA GLU H 61 1 -ATOM 720 C C . GLU B 2 56 . 25.256 -1.414 4.435 1 42.67 ? C GLU H 61 1 -ATOM 721 O O . GLU B 2 56 . 24.058 -1.031 4.369 1 43.02 ? O GLU H 61 1 -ATOM 722 C CB . GLU B 2 56 . 26.997 -0.079 5.697 1 43.41 ? CB GLU H 61 1 -ATOM 723 C CG . GLU B 2 56 . 28.291 -0.458 6.449 1 47.12 ? CG GLU H 61 1 -ATOM 724 C CD . GLU B 2 56 . 28.771 0.508 7.488 1 49.33 ? CD GLU H 61 1 -ATOM 725 O OE1 . GLU B 2 56 . 28.072 1.191 8.238 1 50 ? OE1 GLU H 61 1 -ATOM 726 O OE2 . GLU B 2 56 . 30.027 0.599 7.551 1 50 ? OE2 GLU H 61 1 -ATOM 727 N N . ASN B 2 57 . 25.82 -1.899 3.333 1 42.41 ? N ASN H 62 1 -ATOM 728 C CA . ASN B 2 57 . 24.984 -2.028 2.149 1 42.03 ? CA ASN H 62 1 -ATOM 729 C C . ASN B 2 57 . 24.318 -3.393 2.091 1 40.59 ? C ASN H 62 1 -ATOM 730 O O . ASN B 2 57 . 24.133 -3.863 0.984 1 40.38 ? O ASN H 62 1 -ATOM 731 C CB . ASN B 2 57 . 25.747 -1.865 0.851 1 49.01 ? CB ASN H 62 1 -ATOM 732 C CG . ASN B 2 57 . 27.084 -2.601 0.949 1 50 ? CG ASN H 62 1 -ATOM 733 O OD1 . ASN B 2 57 . 28.038 -1.806 0.711 1 50 ? OD1 ASN H 62 1 -ATOM 734 N ND2 . ASN B 2 57 . 26.982 -3.92 1.174 1 50 ? ND2 ASN H 62 1 -ATOM 735 N N . ASP B 2 58 . 24.066 -3.949 3.221 1 39.87 ? N ASP H 63 1 -ATOM 736 C CA . ASP B 2 58 . 23.402 -5.252 3.304 1 38.41 ? CA ASP H 63 1 -ATOM 737 C C . ASP B 2 58 . 21.908 -5.043 3.578 1 36.33 ? C ASP H 63 1 -ATOM 738 O O . ASP B 2 58 . 21.178 -5.995 3.354 1 35.39 ? O ASP H 63 1 -ATOM 739 C CB . ASP B 2 58 . 23.984 -6.102 4.429 1 40.03 ? CB ASP H 63 1 -ATOM 740 C CG . ASP B 2 58 . 25.234 -6.879 4.04 1 41.93 ? CG ASP H 63 1 -ATOM 741 O OD1 . ASP B 2 58 . 26.129 -6.218 3.433 1 44.56 ? OD1 ASP H 63 1 -ATOM 742 O OD2 . ASP B 2 58 . 25.286 -8.061 4.38 1 39.51 ? OD2 ASP H 63 1 -ATOM 743 N N . LEU B 2 59 . 21.698 -3.871 4.16 1 36.27 ? N LEU H 64 1 -ATOM 744 C CA . LEU B 2 59 . 20.437 -3.352 4.676 1 34.53 ? CA LEU H 64 1 -ATOM 745 C C . LEU B 2 59 . 19.8 -2.057 4.173 1 32.95 ? C LEU H 64 1 -ATOM 746 O O . LEU B 2 59 . 20.565 -1.125 3.802 1 34.03 ? O LEU H 64 1 -ATOM 747 C CB . LEU B 2 59 . 20.836 -2.983 6.17 1 34.81 ? CB LEU H 64 1 -ATOM 748 C CG . LEU B 2 59 . 21.639 -4.081 6.848 1 31.7 ? CG LEU H 64 1 -ATOM 749 C CD1 . LEU B 2 59 . 22.402 -3.567 8.027 1 32.94 ? CD1 LEU H 64 1 -ATOM 750 C CD2 . LEU B 2 59 . 20.559 -5.098 7.235 1 33.68 ? CD2 LEU H 64 1 -ATOM 751 N N . LEU B 2 60 . 18.512 -1.948 4.431 1 28.78 ? N LEU H 65 1 -ATOM 752 C CA . LEU B 2 60 . 17.814 -0.689 4.213 1 28.98 ? CA LEU H 65 1 -ATOM 753 C C . LEU B 2 60 . 17.057 -0.363 5.52 1 27.85 ? C LEU H 65 1 -ATOM 754 O O . LEU B 2 60 . 16.473 -1.366 5.944 1 28.6 ? O LEU H 65 1 -ATOM 755 C CB . LEU B 2 60 . 16.698 -0.72 3.16 1 27.49 ? CB LEU H 65 1 -ATOM 756 C CG . LEU B 2 60 . 16.914 -0.368 1.719 1 24.67 ? CG LEU H 65 1 -ATOM 757 C CD1 . LEU B 2 60 . 18.352 -0.035 1.389 1 20.02 ? CD1 LEU H 65 1 -ATOM 758 C CD2 . LEU B 2 60 . 16.406 -1.607 0.95 1 24.81 ? CD2 LEU H 65 1 -ATOM 759 N N . VAL B 2 61 . 16.726 0.887 5.767 1 26.74 ? N VAL H 66 1 -ATOM 760 C CA . VAL B 2 61 . 15.828 1.145 6.914 1 24.86 ? CA VAL H 66 1 -ATOM 761 C C . VAL B 2 61 . 14.563 1.648 6.234 1 25.1 ? C VAL H 66 1 -ATOM 762 O O . VAL B 2 61 . 14.784 2.29 5.219 1 24.95 ? O VAL H 66 1 -ATOM 763 C CB . VAL B 2 61 . 16.407 2.091 7.988 1 24.14 ? CB VAL H 66 1 -ATOM 764 C CG1 . VAL B 2 61 . 17.294 1.268 8.974 1 22.35 ? CG1 VAL H 66 1 -ATOM 765 C CG2 . VAL B 2 61 . 17.256 3.198 7.45 1 14.63 ? CG2 VAL H 66 1 -ATOM 766 N N . ARG B 2 62 . 13.414 1.26 6.67 1 24.64 ? N ARG H 67 1 -ATOM 767 C CA . ARG B 2 62 . 12.157 1.747 6.182 1 25.44 ? CA ARG H 67 1 -ATOM 768 C C . ARG B 2 62 . 11.425 2.543 7.28 1 25.96 ? C ARG H 67 1 -ATOM 769 O O . ARG B 2 62 . 11.05 1.817 8.269 1 26.14 ? O ARG H 67 1 -ATOM 770 C CB . ARG B 2 62 . 11.34 0.514 5.896 1 24.74 ? CB ARG H 67 1 -ATOM 771 C CG . ARG B 2 62 . 11.689 -0.387 4.685 1 29.44 ? CG ARG H 67 1 -ATOM 772 C CD . ARG B 2 62 . 10.259 -0.941 4.406 1 30.02 ? CD ARG H 67 1 -ATOM 773 N NE . ARG B 2 62 . 10.37 -1.802 3.287 1 32.27 ? NE ARG H 67 1 -ATOM 774 C CZ . ARG B 2 62 . 9.367 -2.218 2.54 1 34.39 ? CZ ARG H 67 1 -ATOM 775 N NH1 . ARG B 2 62 . 8.163 -1.748 2.763 1 33.63 ? NH1 ARG H 67 1 -ATOM 776 N NH2 . ARG B 2 62 . 9.592 -3.101 1.569 1 37.22 ? NH2 ARG H 67 1 -ATOM 777 N N . ILE B 2 63 . 11.067 3.821 7.126 1 24.56 ? N ILE H 68 1 -ATOM 778 C CA . ILE B 2 63 . 10.342 4.532 8.2 1 23.76 ? CA ILE H 68 1 -ATOM 779 C C . ILE B 2 63 . 8.984 5.018 7.781 1 24.63 ? C ILE H 68 1 -ATOM 780 O O . ILE B 2 63 . 8.837 5.576 6.72 1 25.05 ? O ILE H 68 1 -ATOM 781 C CB . ILE B 2 63 . 11.249 5.756 8.654 1 26.53 ? CB ILE H 68 1 -ATOM 782 C CG1 . ILE B 2 63 . 12.716 5.296 8.562 1 26.98 ? CG1 ILE H 68 1 -ATOM 783 C CG2 . ILE B 2 63 . 10.866 6.384 10.034 1 24.43 ? CG2 ILE H 68 1 -ATOM 784 C CD1 . ILE B 2 63 . 13.915 6.271 8.744 1 26.41 ? CD1 ILE H 68 1 -ATOM 785 N N . GLY B 2 64 . 7.927 5.012 8.566 1 25.3 ? N GLY H 69 1 -ATOM 786 C CA . GLY B 2 64 . 6.629 5.525 8.152 1 24.94 ? CA GLY H 69 1 -ATOM 787 C C . GLY B 2 64 . 5.733 4.331 7.775 1 25.84 ? C GLY H 69 1 -ATOM 788 O O . GLY B 2 64 . 4.542 4.601 7.472 1 25.3 ? O GLY H 69 1 -ATOM 789 N N . LYS B 2 65 . 6.295 3.133 8.057 1 24.39 ? N LYS H 70 1 -ATOM 790 C CA . LYS B 2 65 . 5.58 1.905 7.673 1 22.65 ? CA LYS H 70 1 -ATOM 791 C C . LYS B 2 65 . 4.483 1.653 8.7 1 22.57 ? C LYS H 70 1 -ATOM 792 O O . LYS B 2 65 . 4.622 2.242 9.763 1 21.03 ? O LYS H 70 1 -ATOM 793 C CB . LYS B 2 65 . 6.409 0.639 7.565 1 21.16 ? CB LYS H 70 1 -ATOM 794 C CG . LYS B 2 65 . 7.548 0.641 6.553 1 22.1 ? CG LYS H 70 1 -ATOM 795 C CD . LYS B 2 65 . 7.754 -0.707 5.835 1 21.49 ? CD LYS H 70 1 -ATOM 796 C CE . LYS B 2 65 . 6.339 -1.337 5.629 1 21.57 ? CE LYS H 70 1 -ATOM 797 N NZ . LYS B 2 65 . 5.773 -0.672 4.344 1 21.3 ? NZ LYS H 70 1 -ATOM 798 N N . HIS B 2 66 . 3.469 0.918 8.3 1 22.65 ? N HIS H 71 1 -ATOM 799 C CA . HIS B 2 66 . 2.358 0.498 9.188 1 23.09 ? CA HIS H 71 1 -ATOM 800 C C . HIS B 2 66 . 2.159 -0.987 8.797 1 23.89 ? C HIS H 71 1 -ATOM 801 O O . HIS B 2 66 . 2.349 -2.005 9.463 1 24.17 ? O HIS H 71 1 -ATOM 802 C CB . HIS B 2 66 . 1.075 1.3 8.94 1 24.13 ? CB HIS H 71 1 -ATOM 803 C CG . HIS B 2 66 . -0.094 0.926 9.785 1 19.83 ? CG HIS H 71 1 -ATOM 804 N ND1 . HIS B 2 66 . -0.087 0.983 11.128 1 20.41 ? ND1 HIS H 71 1 -ATOM 805 C CD2 . HIS B 2 66 . -1.286 0.359 9.52 1 21.23 ? CD2 HIS H 71 1 -ATOM 806 C CE1 . HIS B 2 66 . -1.142 0.448 11.705 1 18.4 ? CE1 HIS H 71 1 -ATOM 807 N NE2 . HIS B 2 66 . -1.965 0.241 10.716 1 19.22 ? NE2 HIS H 71 1 -ATOM 808 N N . SER B 2 67 . 2.04 -1.168 7.482 1 24.97 ? N SER H 72 1 -ATOM 809 C CA . SER B 2 67 . 1.888 -2.536 6.922 1 25.38 ? CA SER H 72 1 -ATOM 810 C C . SER B 2 67 . 3.251 -3.233 7.031 1 24.79 ? C SER H 72 1 -ATOM 811 O O . SER B 2 67 . 4.141 -2.675 6.387 1 24.75 ? O SER H 72 1 -ATOM 812 C CB . SER B 2 67 . 1.353 -2.615 5.496 1 23.3 ? CB SER H 72 1 -ATOM 813 O OG . SER B 2 67 . 1.618 -3.851 4.824 1 28.12 ? OG SER H 72 1 -ATOM 814 N N . ARG B 2 68 . 3.178 -4.494 7.431 1 25.93 ? N ARG H 73 1 -ATOM 815 C CA . ARG B 2 68 . 4.346 -5.36 7.522 1 26.6 ? CA ARG H 73 1 -ATOM 816 C C . ARG B 2 68 . 5.027 -5.615 6.194 1 27.43 ? C ARG H 73 1 -ATOM 817 O O . ARG B 2 68 . 6.197 -5.229 6.098 1 29.21 ? O ARG H 73 1 -ATOM 818 C CB . ARG B 2 68 . 4.104 -6.722 8.17 1 26.91 ? CB ARG H 73 1 -ATOM 819 C CG . ARG B 2 68 . 5.451 -7.545 8.09 1 27.85 ? CG ARG H 73 1 -ATOM 820 C CD . ARG B 2 68 . 5.295 -8.644 9.086 1 29.37 ? CD ARG H 73 1 -ATOM 821 N NE . ARG B 2 68 . 4.073 -9.394 8.721 1 31.9 ? NE ARG H 73 1 -ATOM 822 C CZ . ARG B 2 68 . 4.124 -10.268 7.676 1 33.8 ? CZ ARG H 73 1 -ATOM 823 N NH1 . ARG B 2 68 . 5.241 -10.749 7.146 1 31.17 ? NH1 ARG H 73 1 -ATOM 824 N NH2 . ARG B 2 68 . 3.054 -10.885 7.117 1 35.3 ? NH2 ARG H 73 1 -ATOM 825 N N . THR B 2 69 . 4.294 -6.046 5.182 1 28.86 ? N THR H 74 1 -ATOM 826 C CA . THR B 2 69 . 4.884 -6.391 3.868 1 29.3 ? CA THR H 74 1 -ATOM 827 C C . THR B 2 69 . 4.613 -5.499 2.648 1 30.29 ? C THR H 74 1 -ATOM 828 O O . THR B 2 69 . 5.472 -5.291 1.738 1 29.27 ? O THR H 74 1 -ATOM 829 C CB . THR B 2 69 . 4.308 -7.818 3.599 1 27.85 ? CB THR H 74 1 -ATOM 830 O OG1 . THR B 2 69 . 2.923 -7.402 3.29 1 30.72 ? OG1 THR H 74 1 -ATOM 831 C CG2 . THR B 2 69 . 4.204 -8.766 4.778 1 26.95 ? CG2 THR H 74 1 -ATOM 832 N N . ARG B 2 70 . 3.563 -4.689 2.717 1 30.61 ? N ARG H 75 1 -ATOM 833 C CA . ARG B 2 70 . 3.302 -3.794 1.589 1 32.09 ? CA ARG H 75 1 -ATOM 834 C C . ARG B 2 70 . 4.236 -2.638 1.451 1 31.58 ? C ARG H 75 1 -ATOM 835 O O . ARG B 2 70 . 4.656 -2.112 2.485 1 32.39 ? O ARG H 75 1 -ATOM 836 C CB . ARG B 2 70 . 1.837 -3.369 1.75 1 34.59 ? CB ARG H 75 1 -ATOM 837 C CG . ARG B 2 70 . 1.077 -4.609 1.146 1 40.28 ? CG ARG H 75 1 -ATOM 838 C CD . ARG B 2 70 . 1.188 -4.464 -0.35 1 42.25 ? CD ARG H 75 1 -ATOM 839 N NE . ARG B 2 70 . 1.083 -5.733 -1.047 1 44.7 ? NE ARG H 75 1 -ATOM 840 C CZ . ARG B 2 70 . 1.031 -5.835 -2.367 1 43.97 ? CZ ARG H 75 1 -ATOM 841 N NH1 . ARG B 2 70 . 0.612 -4.8 -3.075 1 45.43 ? NH1 ARG H 75 1 -ATOM 842 N NH2 . ARG B 2 70 . 1.158 -6.979 -3.033 1 43.99 ? NH2 ARG H 75 1 -ATOM 843 N N . TYR B 2 71 . 4.465 -2.146 0.256 1 31.8 ? N TYR H 76 1 -ATOM 844 C CA . TYR B 2 71 . 5.322 -0.935 0.104 1 32.3 ? CA TYR H 76 1 -ATOM 845 C C . TYR B 2 71 . 4.386 0.266 0.175 1 31.91 ? C TYR H 76 1 -ATOM 846 O O . TYR B 2 71 . 3.428 0.254 -0.629 1 32.01 ? O TYR H 76 1 -ATOM 847 C CB . TYR B 2 71 . 6.092 -0.996 -1.208 1 36.83 ? CB TYR H 76 1 -ATOM 848 C CG . TYR B 2 71 . 6.697 0.352 -1.582 1 39.86 ? CG TYR H 76 1 -ATOM 849 C CD1 . TYR B 2 71 . 7.68 0.922 -0.766 1 41.19 ? CD1 TYR H 76 1 -ATOM 850 C CD2 . TYR B 2 71 . 6.264 1.013 -2.734 1 38.71 ? CD2 TYR H 76 1 -ATOM 851 C CE1 . TYR B 2 71 . 8.233 2.16 -1.106 1 41 ? CE1 TYR H 76 1 -ATOM 852 C CE2 . TYR B 2 71 . 6.816 2.251 -3.073 1 38.22 ? CE2 TYR H 76 1 -ATOM 853 C CZ . TYR B 2 71 . 7.799 2.824 -2.26 1 39.48 ? CZ TYR H 76 1 -ATOM 854 O OH . TYR B 2 71 . 8.331 4.028 -2.592 1 39.95 ? OH TYR H 76 1 -ATOM 855 N N . GLU B 2 72 . 4.427 1.059 1.217 1 31.06 ? N GLU H 77 1 -ATOM 856 C CA . GLU B 2 72 . 3.462 2.168 1.414 1 30.27 ? CA GLU H 77 1 -ATOM 857 C C . GLU B 2 72 . 3.945 3.405 0.672 1 31.98 ? C GLU H 77 1 -ATOM 858 O O . GLU B 2 72 . 4.777 4.262 1.069 1 31.61 ? O GLU H 77 1 -ATOM 859 C CB . GLU B 2 72 . 3.296 2.245 2.9 1 26.8 ? CB GLU H 77 1 -ATOM 860 C CG . GLU B 2 72 . 2.52 1.112 3.536 1 25.18 ? CG GLU H 77 1 -ATOM 861 C CD . GLU B 2 72 . 2.616 0.859 4.982 1 23.78 ? CD GLU H 77 1 -ATOM 862 O OE1 . GLU B 2 72 . 3.79 0.483 5.288 1 24.47 ? OE1 GLU H 77 1 -ATOM 863 O OE2 . GLU B 2 72 . 1.707 0.746 5.806 1 25.3 ? OE2 GLU H 77 1 -ATOM 864 N N . ARG B 2 73 A 3.624 3.31 -0.611 1 32.07 ? N ARG H 77 1 -ATOM 865 C CA . ARG B 2 73 A 3.951 4.126 -1.746 1 33.51 ? CA ARG H 77 1 -ATOM 866 C C . ARG B 2 73 A 4.104 5.604 -1.473 1 34.89 ? C ARG H 77 1 -ATOM 867 O O . ARG B 2 73 A 5.064 6.024 -2.222 1 38.36 ? O ARG H 77 1 -ATOM 868 C CB . ARG B 2 73 A 3.062 3.964 -2.997 1 33.79 ? CB ARG H 77 1 -ATOM 869 C CG . ARG B 2 73 A 3.586 4.881 -4.134 1 33.61 ? CG ARG H 77 1 -ATOM 870 C CD . ARG B 2 73 A 3.242 4.254 -5.438 1 32.13 ? CD ARG H 77 1 -ATOM 871 N NE . ARG B 2 73 A 1.911 3.63 -5.321 1 32.01 ? NE ARG H 77 1 -ATOM 872 C CZ . ARG B 2 73 A 0.918 4.227 -6.012 1 33.29 ? CZ ARG H 77 1 -ATOM 873 N NH1 . ARG B 2 73 A 1.236 5.329 -6.722 1 32.44 ? NH1 ARG H 77 1 -ATOM 874 N NH2 . ARG B 2 73 A -0.332 3.754 -6.039 1 31.44 ? NH2 ARG H 77 1 -ATOM 875 N N . ASN B 2 74 . 3.287 6.383 -0.779 1 33.42 ? N ASN H 78 1 -ATOM 876 C CA . ASN B 2 74 . 3.738 7.793 -0.583 1 31.74 ? CA ASN H 78 1 -ATOM 877 C C . ASN B 2 74 . 3.709 8.175 0.899 1 31.79 ? C ASN H 78 1 -ATOM 878 O O . ASN B 2 74 . 3.634 9.362 1.264 1 31.3 ? O ASN H 78 1 -ATOM 879 C CB . ASN B 2 74 . 2.941 8.788 -1.395 1 32.14 ? CB ASN H 78 1 -ATOM 880 C CG . ASN B 2 74 . 2.898 8.654 -2.889 1 30.3 ? CG ASN H 78 1 -ATOM 881 O OD1 . ASN B 2 74 . 1.749 8.661 -3.369 1 32.59 ? OD1 ASN H 78 1 -ATOM 882 N ND2 . ASN B 2 74 . 3.951 8.534 -3.692 1 31.5 ? ND2 ASN H 78 1 -ATOM 883 N N . ILE B 2 75 . 3.778 7.176 1.756 1 31.15 ? N ILE H 79 1 -ATOM 884 C CA . ILE B 2 75 . 3.781 7.245 3.189 1 29.56 ? CA ILE H 79 1 -ATOM 885 C C . ILE B 2 75 . 5.158 6.869 3.717 1 29.2 ? C ILE H 79 1 -ATOM 886 O O . ILE B 2 75 . 5.809 7.838 4.191 1 27.15 ? O ILE H 79 1 -ATOM 887 C CB . ILE B 2 75 . 2.512 6.709 3.885 1 30.17 ? CB ILE H 79 1 -ATOM 888 C CG1 . ILE B 2 75 . 2.853 5.603 4.883 1 32.43 ? CG1 ILE H 79 1 -ATOM 889 C CG2 . ILE B 2 75 . 1.304 6.308 3.01 1 31.28 ? CG2 ILE H 79 1 -ATOM 890 C CD1 . ILE B 2 75 . 3.063 6.054 6.354 1 36.07 ? CD1 ILE H 79 1 -ATOM 891 N N . GLU B 2 76 . 5.769 5.741 3.378 1 29.04 ? N GLU H 80 1 -ATOM 892 C CA . GLU B 2 76 . 7.078 5.333 3.968 1 27.91 ? CA GLU H 80 1 -ATOM 893 C C . GLU B 2 76 . 8.264 5.85 3.204 1 27.97 ? C GLU H 80 1 -ATOM 894 O O . GLU B 2 76 . 7.984 6.231 2.043 1 29.03 ? O GLU H 80 1 -ATOM 895 C CB . GLU B 2 76 . 7.168 3.799 3.96 1 30.5 ? CB GLU H 80 1 -ATOM 896 C CG . GLU B 2 76 . 7.521 3.127 2.641 1 29.09 ? CG GLU H 80 1 -ATOM 897 C CD . GLU B 2 76 . 7.722 1.616 2.627 1 30.79 ? CD GLU H 80 1 -ATOM 898 O OE1 . GLU B 2 76 . 6.821 0.801 2.685 1 25.61 ? OE1 GLU H 80 1 -ATOM 899 O OE2 . GLU B 2 76 . 8.96 1.361 2.598 1 28.08 ? OE2 GLU H 80 1 -ATOM 900 N N . LYS B 2 77 . 9.423 6.039 3.797 1 27.69 ? N LYS H 81 1 -ATOM 901 C CA . LYS B 2 77 . 10.647 6.491 3.137 1 28.4 ? CA LYS H 81 1 -ATOM 902 C C . LYS B 2 77 . 11.756 5.482 3.487 1 28.89 ? C LYS H 81 1 -ATOM 903 O O . LYS B 2 77 . 11.796 4.939 4.599 1 28.44 ? O LYS H 81 1 -ATOM 904 C CB . LYS B 2 77 . 11.119 7.888 3.427 1 33.22 ? CB LYS H 81 1 -ATOM 905 C CG . LYS B 2 77 . 10.293 9.023 2.78 1 38.44 ? CG LYS H 81 1 -ATOM 906 C CD . LYS B 2 77 . 9.404 9.684 3.829 1 43.81 ? CD LYS H 81 1 -ATOM 907 C CE . LYS B 2 77 . 9.125 11.184 3.673 1 45.81 ? CE LYS H 81 1 -ATOM 908 N NZ . LYS B 2 77 . 8.651 11.781 4.969 1 46.46 ? NZ LYS H 81 1 -ATOM 909 N N . ILE B 2 78 . 12.514 5.075 2.525 1 28.2 ? N ILE H 82 1 -ATOM 910 C CA . ILE B 2 78 . 13.575 4.071 2.627 1 29.87 ? CA ILE H 82 1 -ATOM 911 C C . ILE B 2 78 . 14.951 4.743 2.628 1 31.08 ? C ILE H 82 1 -ATOM 912 O O . ILE B 2 78 . 14.982 5.79 1.911 1 33.11 ? O ILE H 82 1 -ATOM 913 C CB . ILE B 2 78 . 13.347 3.126 1.415 1 29.2 ? CB ILE H 82 1 -ATOM 914 C CG1 . ILE B 2 78 . 11.841 2.778 1.389 1 26.43 ? CG1 ILE H 82 1 -ATOM 915 C CG2 . ILE B 2 78 . 14.218 1.844 1.492 1 31.25 ? CG2 ILE H 82 1 -ATOM 916 C CD1 . ILE B 2 78 . 11.579 1.55 0.456 1 28.09 ? CD1 ILE H 82 1 -ATOM 917 N N . SER B 2 79 . 15.885 4.401 3.465 1 29.48 ? N SER H 83 1 -ATOM 918 C CA . SER B 2 79 . 17.182 5.066 3.416 1 31.25 ? CA SER H 83 1 -ATOM 919 C C . SER B 2 79 . 18.294 4.043 3.515 1 33.29 ? C SER H 83 1 -ATOM 920 O O . SER B 2 79 . 18.068 2.875 3.901 1 33.69 ? O SER H 83 1 -ATOM 921 C CB . SER B 2 79 . 17.378 6.133 4.449 1 29.47 ? CB SER H 83 1 -ATOM 922 O OG . SER B 2 79 . 16.051 6.474 4.847 1 31.22 ? OG SER H 83 1 -ATOM 923 N N . MET B 2 80 . 19.392 4.533 2.973 1 35.37 ? N MET H 84 1 -ATOM 924 C CA . MET B 2 80 . 20.625 3.726 2.902 1 36.99 ? CA MET H 84 1 -ATOM 925 C C . MET B 2 80 . 21.389 4.233 4.149 1 35.96 ? C MET H 84 1 -ATOM 926 O O . MET B 2 80 . 21.191 5.391 4.515 1 35.69 ? O MET H 84 1 -ATOM 927 C CB . MET B 2 80 . 21.463 3.934 1.674 1 41.62 ? CB MET H 84 1 -ATOM 928 C CG . MET B 2 80 . 20.732 4.041 0.363 1 47.09 ? CG MET H 84 1 -ATOM 929 S SD . MET B 2 80 . 21.199 2.627 -0.679 1 50 ? SD MET H 84 1 -ATOM 930 C CE . MET B 2 80 . 19.675 1.607 -0.634 1 47.09 ? CE MET H 84 1 -ATOM 931 N N . LEU B 2 81 . 22.263 3.351 4.587 1 35.52 ? N LEU H 85 1 -ATOM 932 C CA . LEU B 2 81 . 23.096 3.69 5.757 1 35.11 ? CA LEU H 85 1 -ATOM 933 C C . LEU B 2 81 . 24.511 3.989 5.235 1 34.53 ? C LEU H 85 1 -ATOM 934 O O . LEU B 2 81 . 25.054 3.434 4.284 1 34.1 ? O LEU H 85 1 -ATOM 935 C CB . LEU B 2 81 . 23.092 2.633 6.881 1 30.69 ? CB LEU H 85 1 -ATOM 936 C CG . LEU B 2 81 . 21.781 1.891 6.997 1 28.23 ? CG LEU H 85 1 -ATOM 937 C CD1 . LEU B 2 81 . 22.05 0.474 7.463 1 28 ? CD1 LEU H 85 1 -ATOM 938 C CD2 . LEU B 2 81 . 20.863 2.621 7.961 1 28.63 ? CD2 LEU H 85 1 -ATOM 939 N N . GLU B 2 82 . 25.011 4.878 6.055 1 36.24 ? N GLU H 86 1 -ATOM 940 C CA . GLU B 2 82 . 26.346 5.419 5.909 1 38.28 ? CA GLU H 86 1 -ATOM 941 C C . GLU B 2 82 . 27.264 4.67 6.876 1 38.3 ? C GLU H 86 1 -ATOM 942 O O . GLU B 2 82 . 28.396 4.37 6.471 1 40.52 ? O GLU H 86 1 -ATOM 943 C CB . GLU B 2 82 . 26.376 6.906 6.244 1 37.66 ? CB GLU H 86 1 -ATOM 944 C CG . GLU B 2 82 . 27.392 7.701 5.426 1 44.13 ? CG GLU H 86 1 -ATOM 945 C CD . GLU B 2 82 . 27.615 9.078 6 1 47.43 ? CD GLU H 86 1 -ATOM 946 O OE1 . GLU B 2 82 . 28.504 9.022 6.896 1 49.17 ? OE1 GLU H 86 1 -ATOM 947 O OE2 . GLU B 2 82 . 26.905 10.043 5.704 1 49.34 ? OE2 GLU H 86 1 -ATOM 948 N N . LYS B 2 83 . 26.853 4.358 8.081 1 37.81 ? N LYS H 87 1 -ATOM 949 C CA . LYS B 2 83 . 27.708 3.673 9.051 1 36.45 ? CA LYS H 87 1 -ATOM 950 C C . LYS B 2 83 . 26.852 2.903 10.043 1 36.43 ? C LYS H 87 1 -ATOM 951 O O . LYS B 2 83 . 25.667 3.225 10.215 1 35.61 ? O LYS H 87 1 -ATOM 952 C CB . LYS B 2 83 . 28.545 4.655 9.861 1 39.1 ? CB LYS H 87 1 -ATOM 953 C CG . LYS B 2 83 . 29.916 5.001 9.238 1 36.25 ? CG LYS H 87 1 -ATOM 954 C CD . LYS B 2 83 . 30.689 3.692 9.155 1 39.12 ? CD LYS H 87 1 -ATOM 955 C CE . LYS B 2 83 . 30.362 2.746 10.296 1 39.82 ? CE LYS H 87 1 -ATOM 956 N NZ . LYS B 2 83 . 31.597 2.046 10.761 1 41.1 ? NZ LYS H 87 1 -ATOM 957 N N . ILE B 2 84 . 27.528 1.893 10.602 1 35.99 ? N ILE H 88 1 -ATOM 958 C CA . ILE B 2 84 . 26.984 0.961 11.62 1 34.38 ? CA ILE H 88 1 -ATOM 959 C C . ILE B 2 84 . 28.065 1.006 12.728 1 33.18 ? C ILE H 88 1 -ATOM 960 O O . ILE B 2 84 . 29.248 1.126 12.403 1 32.76 ? O ILE H 88 1 -ATOM 961 C CB . ILE B 2 84 . 26.643 -0.513 11.22 1 33.39 ? CB ILE H 88 1 -ATOM 962 C CG1 . ILE B 2 84 . 25.551 -0.609 10.126 1 34 ? CG1 ILE H 88 1 -ATOM 963 C CG2 . ILE B 2 84 . 26.196 -1.382 12.421 1 32.94 ? CG2 ILE H 88 1 -ATOM 964 C CD1 . ILE B 2 84 . 24.972 -2.023 9.881 1 32.95 ? CD1 ILE H 88 1 -ATOM 965 N N . TYR B 2 85 . 27.606 1.208 13.932 1 32.44 ? N TYR H 89 1 -ATOM 966 C CA . TYR B 2 85 . 28.505 1.329 15.08 1 30.73 ? CA TYR H 89 1 -ATOM 967 C C . TYR B 2 85 . 27.915 0.449 16.172 1 28.96 ? C TYR H 89 1 -ATOM 968 O O . TYR B 2 85 . 26.886 0.921 16.639 1 29.35 ? O TYR H 89 1 -ATOM 969 C CB . TYR B 2 85 . 28.574 2.744 15.61 1 31.76 ? CB TYR H 89 1 -ATOM 970 C CG . TYR B 2 85 . 29.071 3.828 14.667 1 33.85 ? CG TYR H 89 1 -ATOM 971 C CD1 . TYR B 2 85 . 28.189 4.425 13.761 1 33.82 ? CD1 TYR H 89 1 -ATOM 972 C CD2 . TYR B 2 85 . 30.401 4.246 14.744 1 34.82 ? CD2 TYR H 89 1 -ATOM 973 C CE1 . TYR B 2 85 . 28.642 5.453 12.929 1 37.45 ? CE1 TYR H 89 1 -ATOM 974 C CE2 . TYR B 2 85 . 30.854 5.276 13.915 1 35.55 ? CE2 TYR H 89 1 -ATOM 975 C CZ . TYR B 2 85 . 29.974 5.881 13.01 1 36.59 ? CZ TYR H 89 1 -ATOM 976 O OH . TYR B 2 85 . 30.417 6.886 12.211 1 38.96 ? OH TYR H 89 1 -ATOM 977 N N . ILE B 2 86 . 28.638 -0.569 16.596 1 28.7 ? N ILE H 90 1 -ATOM 978 C CA . ILE B 2 86 . 28.175 -1.469 17.669 1 27.39 ? CA ILE H 90 1 -ATOM 979 C C . ILE B 2 86 . 28.895 -1.016 18.932 1 26.5 ? C ILE H 90 1 -ATOM 980 O O . ILE B 2 86 . 30.003 -0.47 18.741 1 27.8 ? O ILE H 90 1 -ATOM 981 C CB . ILE B 2 86 . 28.46 -2.959 17.337 1 27.04 ? CB ILE H 90 1 -ATOM 982 C CG1 . ILE B 2 86 . 28.108 -3.235 15.857 1 27.49 ? CG1 ILE H 90 1 -ATOM 983 C CG2 . ILE B 2 86 . 27.711 -3.937 18.289 1 25.02 ? CG2 ILE H 90 1 -ATOM 984 C CD1 . ILE B 2 86 . 26.615 -3.581 15.606 1 30.91 ? CD1 ILE H 90 1 -ATOM 985 N N . HIS B 2 87 . 28.289 -1.22 20.069 1 26.77 ? N HIS H 91 1 -ATOM 986 C CA . HIS B 2 87 . 28.974 -0.876 21.343 1 26.36 ? CA HIS H 91 1 -ATOM 987 C C . HIS B 2 87 . 30.231 -1.727 21.388 1 27.63 ? C HIS H 91 1 -ATOM 988 O O . HIS B 2 87 . 30.172 -2.955 21.206 1 27.45 ? O HIS H 91 1 -ATOM 989 C CB . HIS B 2 87 . 28.185 -1.096 22.632 1 25.09 ? CB HIS H 91 1 -ATOM 990 C CG . HIS B 2 87 . 28.715 -0.445 23.904 1 24.34 ? CG HIS H 91 1 -ATOM 991 N ND1 . HIS B 2 87 . 29.992 -0.689 24.394 1 23.25 ? ND1 HIS H 91 1 -ATOM 992 C CD2 . HIS B 2 87 . 28.124 0.41 24.78 1 22.31 ? CD2 HIS H 91 1 -ATOM 993 C CE1 . HIS B 2 87 . 30.136 -0.005 25.517 1 20.27 ? CE1 HIS H 91 1 -ATOM 994 N NE2 . HIS B 2 87 . 29.031 0.655 25.76 1 17.71 ? NE2 HIS H 91 1 -ATOM 995 N N . PRO B 2 88 . 31.403 -1.136 21.601 1 28.31 ? N PRO H 92 1 -ATOM 996 C CA . PRO B 2 88 . 32.633 -1.894 21.601 1 27.39 ? CA PRO H 92 1 -ATOM 997 C C . PRO B 2 88 . 32.619 -2.997 22.637 1 27.54 ? C PRO H 92 1 -ATOM 998 O O . PRO B 2 88 . 33.435 -3.961 22.512 1 29.74 ? O PRO H 92 1 -ATOM 999 C CB . PRO B 2 88 . 33.699 -0.86 21.878 1 28.17 ? CB PRO H 92 1 -ATOM 1000 C CG . PRO B 2 88 . 33.013 0.489 22.018 1 28.15 ? CG PRO H 92 1 -ATOM 1001 C CD . PRO B 2 88 . 31.54 0.301 21.839 1 27.12 ? CD PRO H 92 1 -ATOM 1002 N N . ARG B 2 89 . 31.725 -2.885 23.614 1 25.79 ? N ARG H 93 1 -ATOM 1003 C CA . ARG B 2 89 . 31.667 -3.854 24.735 1 25.57 ? CA ARG H 93 1 -ATOM 1004 C C . ARG B 2 89 . 30.379 -4.67 24.788 1 24.92 ? C ARG H 93 1 -ATOM 1005 O O . ARG B 2 89 . 30.04 -5.079 25.918 1 25.67 ? O ARG H 93 1 -ATOM 1006 C CB . ARG B 2 89 . 31.776 -3.133 26.061 1 28.97 ? CB ARG H 93 1 -ATOM 1007 C CG . ARG B 2 89 . 33.076 -2.364 26.168 1 32.52 ? CG ARG H 93 1 -ATOM 1008 C CD . ARG B 2 89 . 33.986 -2.889 27.266 1 35.39 ? CD ARG H 93 1 -ATOM 1009 N NE . ARG B 2 89 . 33.697 -2.191 28.487 1 37.07 ? NE ARG H 93 1 -ATOM 1010 C CZ . ARG B 2 89 . 33.653 -2.662 29.723 1 37.09 ? CZ ARG H 93 1 -ATOM 1011 N NH1 . ARG B 2 89 . 33.956 -3.926 30.034 1 36.96 ? NH1 ARG H 93 1 -ATOM 1012 N NH2 . ARG B 2 89 . 33.26 -1.901 30.737 1 36.34 ? NH2 ARG H 93 1 -ATOM 1013 N N . TYR B 2 90 . 29.665 -4.777 23.683 1 24.57 ? N TYR H 94 1 -ATOM 1014 C CA . TYR B 2 90 . 28.505 -5.688 23.548 1 23.44 ? CA TYR H 94 1 -ATOM 1015 C C . TYR B 2 90 . 28.953 -7.17 23.84 1 22.8 ? C TYR H 94 1 -ATOM 1016 O O . TYR B 2 90 . 29.83 -7.775 23.156 1 21.46 ? O TYR H 94 1 -ATOM 1017 C CB . TYR B 2 90 . 27.98 -5.545 22.104 1 18.7 ? CB TYR H 94 1 -ATOM 1018 C CG . TYR B 2 90 . 27.216 -6.67 21.45 1 16.94 ? CG TYR H 94 1 -ATOM 1019 C CD1 . TYR B 2 90 . 26.177 -7.336 22.112 1 15.34 ? CD1 TYR H 94 1 -ATOM 1020 C CD2 . TYR B 2 90 . 27.559 -6.985 20.139 1 18.56 ? CD2 TYR H 94 1 -ATOM 1021 C CE1 . TYR B 2 90 . 25.477 -8.348 21.434 1 16.75 ? CE1 TYR H 94 1 -ATOM 1022 C CE2 . TYR B 2 90 . 26.863 -7.988 19.465 1 17.26 ? CE2 TYR H 94 1 -ATOM 1023 C CZ . TYR B 2 90 . 25.824 -8.668 20.109 1 17.87 ? CZ TYR H 94 1 -ATOM 1024 O OH . TYR B 2 90 . 25.155 -9.638 19.432 1 24.03 ? OH TYR H 94 1 -ATOM 1025 N N . ASN B 2 91 . 28.331 -7.815 24.826 1 21.92 ? N ASN H 95 1 -ATOM 1026 C CA . ASN B 2 91 . 28.692 -9.203 25.108 1 22.83 ? CA ASN H 95 1 -ATOM 1027 C C . ASN B 2 91 . 27.93 -10.254 24.286 1 23.69 ? C ASN H 95 1 -ATOM 1028 O O . ASN B 2 91 . 26.893 -10.856 24.72 1 23.13 ? O ASN H 95 1 -ATOM 1029 C CB . ASN B 2 91 . 28.618 -9.497 26.626 1 22.84 ? CB ASN H 95 1 -ATOM 1030 C CG . ASN B 2 91 . 29.585 -10.646 27.003 1 24.7 ? CG ASN H 95 1 -ATOM 1031 O OD1 . ASN B 2 91 . 30.116 -11.394 26.145 1 23.39 ? OD1 ASN H 95 1 -ATOM 1032 N ND2 . ASN B 2 91 . 29.81 -10.783 28.308 1 21.32 ? ND2 ASN H 95 1 -ATOM 1033 N N . TRP B 2 92 . 28.43 -10.512 23.085 1 24.22 ? N TRP H 96 1 -ATOM 1034 C CA . TRP B 2 92 . 27.662 -11.602 22.389 1 27.38 ? CA TRP H 96 1 -ATOM 1035 C C . TRP B 2 92 . 28.011 -12.986 22.943 1 28.42 ? C TRP H 96 1 -ATOM 1036 O O . TRP B 2 92 . 27.292 -13.892 22.569 1 28.44 ? O TRP H 96 1 -ATOM 1037 C CB . TRP B 2 92 . 27.804 -11.546 20.881 1 27.02 ? CB TRP H 96 1 -ATOM 1038 C CG . TRP B 2 92 . 29.259 -11.512 20.458 1 28.36 ? CG TRP H 96 1 -ATOM 1039 C CD1 . TRP B 2 92 . 30.006 -10.429 20.195 1 29.4 ? CD1 TRP H 96 1 -ATOM 1040 C CD2 . TRP B 2 92 . 30.055 -12.656 20.284 1 29.75 ? CD2 TRP H 96 1 -ATOM 1041 N NE1 . TRP B 2 92 . 31.312 -10.902 19.852 1 29.43 ? NE1 TRP H 96 1 -ATOM 1042 C CE2 . TRP B 2 92 . 31.317 -12.216 19.912 1 30.9 ? CE2 TRP H 96 1 -ATOM 1043 C CE3 . TRP B 2 92 . 29.806 -14.025 20.405 1 29.48 ? CE3 TRP H 96 1 -ATOM 1044 C CZ2 . TRP B 2 92 . 32.375 -13.093 19.653 1 29.71 ? CZ2 TRP H 96 1 -ATOM 1045 C CZ3 . TRP B 2 92 . 30.873 -14.899 20.135 1 26.38 ? CZ3 TRP H 96 1 -ATOM 1046 C CH2 . TRP B 2 92 . 32.098 -14.453 19.777 1 29.88 ? CH2 TRP H 96 1 -ATOM 1047 N N . ARG B 2 93 . 29.106 -13.163 23.623 1 30.18 ? N ARG H 97 1 -ATOM 1048 C CA . ARG B 2 93 . 29.608 -14.421 24.156 1 31.89 ? CA ARG H 97 1 -ATOM 1049 C C . ARG B 2 93 . 28.828 -15 25.328 1 32.14 ? C ARG H 97 1 -ATOM 1050 O O . ARG B 2 93 . 28.581 -16.224 25.361 1 32.68 ? O ARG H 97 1 -ATOM 1051 C CB . ARG B 2 93 . 31.103 -14.263 24.503 1 35.58 ? CB ARG H 97 1 -ATOM 1052 C CG . ARG B 2 93 . 32.105 -14.109 23.379 1 36.96 ? CG ARG H 97 1 -ATOM 1053 C CD . ARG B 2 93 . 33.498 -14.51 23.708 1 41.78 ? CD ARG H 97 1 -ATOM 1054 N NE . ARG B 2 93 . 34.101 -15.371 22.618 1 46.82 ? NE ARG H 97 1 -ATOM 1055 C CZ . ARG B 2 93 . 34.834 -14.652 21.739 1 46.92 ? CZ ARG H 97 1 -ATOM 1056 N NH1 . ARG B 2 93 . 34.991 -13.36 22.077 1 45.64 ? NH1 ARG H 97 1 -ATOM 1057 N NH2 . ARG B 2 93 . 35.417 -15.093 20.64 1 47.61 ? NH2 ARG H 97 1 -ATOM 1058 N N . GLU B 2 94 A 28.371 -14.157 26.311 1 31.08 ? N GLU H 97 1 -ATOM 1059 C CA . GLU B 2 94 A 27.632 -14.74 27.441 1 28.36 ? CA GLU H 97 1 -ATOM 1060 C C . GLU B 2 94 A 26.186 -14.23 27.476 1 26.74 ? C GLU H 97 1 -ATOM 1061 O O . GLU B 2 94 A 25.237 -15.017 27.32 1 24.29 ? O GLU H 97 1 -ATOM 1062 C CB . GLU B 2 94 A 28.269 -14.392 28.815 1 28.07 ? CB GLU H 97 1 -ATOM 1063 C CG . GLU B 2 94 A 27.517 -15.153 29.91 1 36.95 ? CG GLU H 97 1 -ATOM 1064 C CD . GLU B 2 94 A 27.414 -14.582 31.336 1 41.47 ? CD GLU H 97 1 -ATOM 1065 O OE1 . GLU B 2 94 A 28.318 -13.798 31.843 1 42.5 ? OE1 GLU H 97 1 -ATOM 1066 O OE2 . GLU B 2 94 A 26.391 -14.933 32.027 1 45.36 ? OE2 GLU H 97 1 -ATOM 1067 N N . ASN B 2 95 . 25.913 -12.903 27.853 1 23.73 ? N ASN H 98 1 -ATOM 1068 C CA . ASN B 2 95 . 24.528 -12.485 28.027 1 21.91 ? CA ASN H 98 1 -ATOM 1069 C C . ASN B 2 95 . 23.975 -11.337 27.15 1 22.83 ? C ASN H 98 1 -ATOM 1070 O O . ASN B 2 95 . 22.864 -10.909 27.536 1 22.53 ? O ASN H 98 1 -ATOM 1071 C CB . ASN B 2 95 . 24.376 -12.235 29.527 1 17.95 ? CB ASN H 98 1 -ATOM 1072 C CG . ASN B 2 95 . 25.429 -11.173 29.957 1 18.53 ? CG ASN H 98 1 -ATOM 1073 O OD1 . ASN B 2 95 . 26.309 -10.807 29.101 1 16.36 ? OD1 ASN H 98 1 -ATOM 1074 N ND2 . ASN B 2 95 . 25.187 -10.84 31.198 1 10.5 ? ND2 ASN H 98 1 -ATOM 1075 N N . LEU B 2 96 . 24.505 -10.95 26.006 1 21.75 ? N LEU H 99 1 -ATOM 1076 C CA . LEU B 2 96 . 23.953 -9.87 25.189 1 23.69 ? CA LEU H 99 1 -ATOM 1077 C C . LEU B 2 96 . 23.966 -8.501 25.939 1 22.78 ? C LEU H 99 1 -ATOM 1078 O O . LEU B 2 96 . 22.961 -7.783 25.928 1 21.49 ? O LEU H 99 1 -ATOM 1079 C CB . LEU B 2 96 . 22.544 -10.153 24.617 1 23.55 ? CB LEU H 99 1 -ATOM 1080 C CG . LEU B 2 96 . 22.386 -11.117 23.457 1 27.16 ? CG LEU H 99 1 -ATOM 1081 C CD1 . LEU B 2 96 . 21.154 -10.872 22.602 1 24.76 ? CD1 LEU H 99 1 -ATOM 1082 C CD2 . LEU B 2 96 . 23.642 -10.997 22.616 1 27.27 ? CD2 LEU H 99 1 -ATOM 1083 N N . ASP B 2 97 . 24.916 -8.387 26.864 1 22.61 ? N ASP H 100 1 -ATOM 1084 C CA . ASP B 2 97 . 25.178 -7.183 27.658 1 19.84 ? CA ASP H 100 1 -ATOM 1085 C C . ASP B 2 97 . 25.49 -6.08 26.601 1 17.46 ? C ASP H 100 1 -ATOM 1086 O O . ASP B 2 97 . 26.409 -6.337 25.824 1 14.68 ? O ASP H 100 1 -ATOM 1087 C CB . ASP B 2 97 . 26.449 -7.355 28.483 1 18.03 ? CB ASP H 100 1 -ATOM 1088 C CG . ASP B 2 97 . 26.428 -6.479 29.71 1 22.67 ? CG ASP H 100 1 -ATOM 1089 O OD1 . ASP B 2 97 . 25.33 -6.043 30.189 1 18.97 ? OD1 ASP H 100 1 -ATOM 1090 O OD2 . ASP B 2 97 . 27.484 -6.327 30.368 1 24.12 ? OD2 ASP H 100 1 -ATOM 1091 N N . ARG B 2 98 . 24.853 -4.912 26.716 1 17.44 ? N ARG H 101 1 -ATOM 1092 C CA . ARG B 2 98 . 25.123 -3.785 25.78 1 15.64 ? CA ARG H 101 1 -ATOM 1093 C C . ARG B 2 98 . 24.727 -4.028 24.369 1 15.4 ? C ARG H 101 1 -ATOM 1094 O O . ARG B 2 98 . 25.512 -3.811 23.398 1 15.02 ? O ARG H 101 1 -ATOM 1095 C CB . ARG B 2 98 . 26.583 -3.254 25.839 1 18.74 ? CB ARG H 101 1 -ATOM 1096 C CG . ARG B 2 98 . 26.928 -2.883 27.271 1 23.33 ? CG ARG H 101 1 -ATOM 1097 C CD . ARG B 2 98 . 28.286 -2.34 27.47 1 28.44 ? CD ARG H 101 1 -ATOM 1098 N NE . ARG B 2 98 . 29.204 -3.313 27.989 1 34.18 ? NE ARG H 101 1 -ATOM 1099 C CZ . ARG B 2 98 . 29.604 -3.51 29.244 1 35.34 ? CZ ARG H 101 1 -ATOM 1100 N NH1 . ARG B 2 98 . 29.383 -2.627 30.21 1 35.52 ? NH1 ARG H 101 1 -ATOM 1101 N NH2 . ARG B 2 98 . 30.338 -4.61 29.412 1 34.82 ? NH2 ARG H 101 1 -ATOM 1102 N N . ASP B 2 99 . 23.573 -4.663 24.25 1 15.42 ? N ASP H 102 1 -ATOM 1103 C CA . ASP B 2 99 . 22.884 -4.953 22.97 1 16.45 ? CA ASP H 102 1 -ATOM 1104 C C . ASP B 2 99 . 22.206 -3.633 22.489 1 16.88 ? C ASP H 102 1 -ATOM 1105 O O . ASP B 2 99 . 21.063 -3.291 22.852 1 17.7 ? O ASP H 102 1 -ATOM 1106 C CB . ASP B 2 99 . 21.877 -6.045 23.274 1 13.34 ? CB ASP H 102 1 -ATOM 1107 C CG . ASP B 2 99 . 21.313 -6.688 22.046 1 13.27 ? CG ASP H 102 1 -ATOM 1108 O OD1 . ASP B 2 99 . 21.913 -6.419 20.987 1 14.09 ? OD1 ASP H 102 1 -ATOM 1109 O OD2 . ASP B 2 99 . 20.293 -7.416 22.266 1 13.57 ? OD2 ASP H 102 1 -ATOM 1110 N N . ILE B 2 100 . 23.016 -2.827 21.838 1 18.32 ? N ILE H 103 1 -ATOM 1111 C CA . ILE B 2 100 . 22.778 -1.453 21.345 1 18.42 ? CA ILE H 103 1 -ATOM 1112 C C . ILE B 2 100 . 23.767 -1.128 20.213 1 19.65 ? C ILE H 103 1 -ATOM 1113 O O . ILE B 2 100 . 24.882 -1.655 20.207 1 19.59 ? O ILE H 103 1 -ATOM 1114 C CB . ILE B 2 100 . 22.877 -0.358 22.477 1 17.3 ? CB ILE H 103 1 -ATOM 1115 C CG1 . ILE B 2 100 . 22.438 1.057 22.079 1 15.06 ? CG1 ILE H 103 1 -ATOM 1116 C CG2 . ILE B 2 100 . 24.366 -0.354 22.93 1 14.65 ? CG2 ILE H 103 1 -ATOM 1117 C CD1 . ILE B 2 100 . 21.605 1.847 23.135 1 17.5 ? CD1 ILE H 103 1 -ATOM 1118 N N . ALA B 2 101 . 23.298 -0.468 19.116 1 20 ? N ALA H 104 1 -ATOM 1119 C CA . ALA B 2 101 . 24.074 -0.093 17.934 1 16.99 ? CA ALA H 104 1 -ATOM 1120 C C . ALA B 2 101 . 23.223 1.052 17.314 1 19.41 ? C ALA H 104 1 -ATOM 1121 O O . ALA B 2 101 . 22.014 1.17 17.446 1 16.6 ? O ALA H 104 1 -ATOM 1122 C CB . ALA B 2 101 . 24.233 -1.169 16.889 1 18.71 ? CB ALA H 104 1 -ATOM 1123 N N . LEU B 2 102 . 23.988 1.916 16.656 1 21.14 ? N LEU H 105 1 -ATOM 1124 C CA . LEU B 2 102 . 23.588 3.117 15.932 1 23.14 ? CA LEU H 105 1 -ATOM 1125 C C . LEU B 2 102 . 24.004 2.989 14.455 1 24.9 ? C LEU H 105 1 -ATOM 1126 O O . LEU B 2 102 . 25.128 2.471 14.258 1 24.95 ? O LEU H 105 1 -ATOM 1127 C CB . LEU B 2 102 . 24.362 4.301 16.562 1 20.98 ? CB LEU H 105 1 -ATOM 1128 C CG . LEU B 2 102 . 23.709 4.769 17.849 1 21.69 ? CG LEU H 105 1 -ATOM 1129 C CD1 . LEU B 2 102 . 24.732 5.385 18.758 1 19.8 ? CD1 LEU H 105 1 -ATOM 1130 C CD2 . LEU B 2 102 . 22.557 5.677 17.377 1 21.29 ? CD2 LEU H 105 1 -ATOM 1131 N N . MET B 2 103 . 23.037 3.335 13.632 1 25.93 ? N MET H 106 1 -ATOM 1132 C CA . MET B 2 103 . 23.065 3.435 12.18 1 27.14 ? CA MET H 106 1 -ATOM 1133 C C . MET B 2 103 . 22.792 4.897 11.817 1 28.9 ? C MET H 106 1 -ATOM 1134 O O . MET B 2 103 . 21.743 5.452 12.269 1 30.97 ? O MET H 106 1 -ATOM 1135 C CB . MET B 2 103 . 21.934 2.57 11.653 1 24.91 ? CB MET H 106 1 -ATOM 1136 C CG . MET B 2 103 . 22.17 1.177 12.207 1 27.44 ? CG MET H 106 1 -ATOM 1137 S SD . MET B 2 103 . 20.725 0.153 11.692 1 31.44 ? SD MET H 106 1 -ATOM 1138 C CE . MET B 2 103 . 21.578 -0.543 10.24 1 32.35 ? CE MET H 106 1 -ATOM 1139 N N . LYS B 2 104 . 23.744 5.542 11.201 1 29.88 ? N LYS H 107 1 -ATOM 1140 C CA . LYS B 2 104 . 23.699 6.936 10.73 1 30.57 ? CA LYS H 107 1 -ATOM 1141 C C . LYS B 2 104 . 23.41 6.812 9.221 1 30.92 ? C LYS H 107 1 -ATOM 1142 O O . LYS B 2 104 . 23.922 5.861 8.595 1 30.34 ? O LYS H 107 1 -ATOM 1143 C CB . LYS B 2 104 . 24.955 7.694 10.974 1 34.19 ? CB LYS H 107 1 -ATOM 1144 C CG . LYS B 2 104 . 25.8 7.564 9.693 1 37.34 ? CG LYS H 107 1 -ATOM 1145 C CD . LYS B 2 104 . 25.541 8.916 9.036 1 44.05 ? CD LYS H 107 1 -ATOM 1146 C CE . LYS B 2 104 . 26.287 10.021 9.771 1 46.28 ? CE LYS H 107 1 -ATOM 1147 N NZ . LYS B 2 104 . 25.406 10.483 10.89 1 50 ? NZ LYS H 107 1 -ATOM 1148 N N . LEU B 2 105 . 22.33 7.516 8.873 1 31.34 ? N LEU H 108 1 -ATOM 1149 C CA . LEU B 2 105 . 21.627 7.442 7.581 1 32.15 ? CA LEU H 108 1 -ATOM 1150 C C . LEU B 2 105 . 22.424 8.06 6.462 1 32.88 ? C LEU H 108 1 -ATOM 1151 O O . LEU B 2 105 . 23.161 9.008 6.779 1 32.69 ? O LEU H 108 1 -ATOM 1152 C CB . LEU B 2 105 . 20.2 7.918 7.807 1 32.11 ? CB LEU H 108 1 -ATOM 1153 C CG . LEU B 2 105 . 19.291 7.232 8.803 1 33.73 ? CG LEU H 108 1 -ATOM 1154 C CD1 . LEU B 2 105 . 17.801 7.613 8.662 1 34.31 ? CD1 LEU H 108 1 -ATOM 1155 C CD2 . LEU B 2 105 . 19.357 5.716 8.671 1 33.81 ? CD2 LEU H 108 1 -ATOM 1156 N N . LYS B 2 106 . 22.353 7.538 5.241 1 34.21 ? N LYS H 109 1 -ATOM 1157 C CA . LYS B 2 106 . 23.156 8.146 4.162 1 36.23 ? CA LYS H 109 1 -ATOM 1158 C C . LYS B 2 106 . 22.778 9.598 3.875 1 36.9 ? C LYS H 109 1 -ATOM 1159 O O . LYS B 2 106 . 23.597 10.434 3.441 1 37.26 ? O LYS H 109 1 -ATOM 1160 C CB . LYS B 2 106 . 23.172 7.299 2.876 1 38.82 ? CB LYS H 109 1 -ATOM 1161 C CG . LYS B 2 106 . 24.644 7.382 2.413 1 44.38 ? CG LYS H 109 1 -ATOM 1162 C CD . LYS B 2 106 . 25.211 6.204 1.657 1 47.22 ? CD LYS H 109 1 -ATOM 1163 C CE . LYS B 2 106 . 25.364 6.521 0.172 1 50 ? CE LYS H 109 1 -ATOM 1164 N NZ . LYS B 2 106 . 24.342 5.887 -0.726 1 50 ? NZ LYS H 109 1 -ATOM 1165 N N . LYS B 2 107 . 21.567 9.975 4.279 1 37.6 ? N LYS H 110 1 -ATOM 1166 C CA . LYS B 2 107 . 21.026 11.333 4.143 1 38.22 ? CA LYS H 110 1 -ATOM 1167 C C . LYS B 2 107 . 19.927 11.536 5.176 1 37.19 ? C LYS H 110 1 -ATOM 1168 O O . LYS B 2 107 . 19.15 10.6 5.402 1 38.38 ? O LYS H 110 1 -ATOM 1169 C CB . LYS B 2 107 . 20.361 11.636 2.785 1 40.16 ? CB LYS H 110 1 -ATOM 1170 C CG . LYS B 2 107 . 20.538 13.13 2.48 1 43.42 ? CG LYS H 110 1 -ATOM 1171 C CD . LYS B 2 107 . 21.964 13.366 1.959 1 45.75 ? CD LYS H 110 1 -ATOM 1172 C CE . LYS B 2 107 . 22.22 14.811 1.542 1 47.62 ? CE LYS H 110 1 -ATOM 1173 N NZ . LYS B 2 107 . 21.683 15.106 0.178 1 49.93 ? NZ LYS H 110 1 -ATOM 1174 N N . PRO B 2 108 . 19.779 12.759 5.616 1 36.67 ? N PRO H 111 1 -ATOM 1175 C CA . PRO B 2 108 . 18.761 13.051 6.639 1 35.93 ? CA PRO H 111 1 -ATOM 1176 C C . PRO B 2 108 . 17.416 12.796 6.011 1 34.87 ? C PRO H 111 1 -ATOM 1177 O O . PRO B 2 108 . 17.308 12.766 4.794 1 35.04 ? O PRO H 111 1 -ATOM 1178 C CB . PRO B 2 108 . 19.012 14.495 7.076 1 35.81 ? CB PRO H 111 1 -ATOM 1179 C CG . PRO B 2 108 . 20.195 15 6.245 1 35.58 ? CG PRO H 111 1 -ATOM 1180 C CD . PRO B 2 108 . 20.659 13.902 5.311 1 35.99 ? CD PRO H 111 1 -ATOM 1181 N N . VAL B 2 109 . 16.446 12.501 6.82 1 34.4 ? N VAL H 112 1 -ATOM 1182 C CA . VAL B 2 109 . 15.079 12.225 6.46 1 32.82 ? CA VAL H 112 1 -ATOM 1183 C C . VAL B 2 109 . 14.262 13.483 6.807 1 32.91 ? C VAL H 112 1 -ATOM 1184 O O . VAL B 2 109 . 14.517 14.143 7.854 1 34.16 ? O VAL H 112 1 -ATOM 1185 C CB . VAL B 2 109 . 14.455 11.138 7.394 1 35.22 ? CB VAL H 112 1 -ATOM 1186 C CG1 . VAL B 2 109 . 13.589 10.129 6.685 1 31.26 ? CG1 VAL H 112 1 -ATOM 1187 C CG2 . VAL B 2 109 . 15.483 10.514 8.32 1 32.49 ? CG2 VAL H 112 1 -ATOM 1188 N N . ALA B 2 110 . 13.114 13.493 6.129 1 31.13 ? N ALA H 113 1 -ATOM 1189 C CA . ALA B 2 110 . 12.178 14.606 6.332 1 27.34 ? CA ALA H 113 1 -ATOM 1190 C C . ALA B 2 110 . 11.034 13.966 7.131 1 25.69 ? C ALA H 113 1 -ATOM 1191 O O . ALA B 2 110 . 10.59 12.898 6.691 1 23.39 ? O ALA H 113 1 -ATOM 1192 C CB . ALA B 2 110 . 11.755 15.071 4.944 1 29.65 ? CB ALA H 113 1 -ATOM 1193 N N . PHE B 2 111 . 10.592 14.754 8.067 1 23.94 ? N PHE H 114 1 -ATOM 1194 C CA . PHE B 2 111 . 9.596 14.333 9.039 1 25.31 ? CA PHE H 114 1 -ATOM 1195 C C . PHE B 2 111 . 8.224 14.493 8.378 1 26.74 ? C PHE H 114 1 -ATOM 1196 O O . PHE B 2 111 . 8.207 15.221 7.344 1 28.61 ? O PHE H 114 1 -ATOM 1197 C CB . PHE B 2 111 . 9.752 14.95 10.412 1 25.83 ? CB PHE H 114 1 -ATOM 1198 C CG . PHE B 2 111 . 11.166 14.721 10.944 1 26.27 ? CG PHE H 114 1 -ATOM 1199 C CD1 . PHE B 2 111 . 11.91 13.64 10.46 1 28.05 ? CD1 PHE H 114 1 -ATOM 1200 C CD2 . PHE B 2 111 . 11.72 15.582 11.895 1 26.62 ? CD2 PHE H 114 1 -ATOM 1201 C CE1 . PHE B 2 111 . 13.213 13.427 10.913 1 27.51 ? CE1 PHE H 114 1 -ATOM 1202 C CE2 . PHE B 2 111 . 13.026 15.371 12.349 1 25.13 ? CE2 PHE H 114 1 -ATOM 1203 C CZ . PHE B 2 111 . 13.774 14.294 11.856 1 26.49 ? CZ PHE H 114 1 -ATOM 1204 N N . SER B 2 112 . 7.18 13.92 9.001 1 24.2 ? N SER H 115 1 -ATOM 1205 C CA . SER B 2 112 . 5.935 13.96 8.212 1 23.66 ? CA SER H 115 1 -ATOM 1206 C C . SER B 2 112 . 4.913 13.564 9.238 1 23.62 ? C SER H 115 1 -ATOM 1207 O O . SER B 2 112 . 5.392 13.388 10.354 1 24.58 ? O SER H 115 1 -ATOM 1208 C CB . SER B 2 112 . 5.968 12.885 7.138 1 24.11 ? CB SER H 115 1 -ATOM 1209 O OG . SER B 2 112 . 5.081 11.872 7.631 1 26.89 ? OG SER H 115 1 -ATOM 1210 N N . ASP B 2 113 . 3.703 13.262 8.845 1 25.03 ? N ASP H 116 1 -ATOM 1211 C CA . ASP B 2 113 . 2.723 12.899 9.921 1 24.39 ? CA ASP H 116 1 -ATOM 1212 C C . ASP B 2 113 . 2.954 11.443 10.42 1 22.21 ? C ASP H 116 1 -ATOM 1213 O O . ASP B 2 113 . 2.432 11.103 11.517 1 19.88 ? O ASP H 116 1 -ATOM 1214 C CB . ASP B 2 113 . 1.328 13.088 9.392 1 30.44 ? CB ASP H 116 1 -ATOM 1215 C CG . ASP B 2 113 . 0.645 14.426 9.242 1 31.99 ? CG ASP H 116 1 -ATOM 1216 O OD1 . ASP B 2 113 . 1.162 15.463 9.674 1 32.68 ? OD1 ASP H 116 1 -ATOM 1217 O OD2 . ASP B 2 113 . -0.473 14.385 8.674 1 35.01 ? OD2 ASP H 116 1 -ATOM 1218 N N . TYR B 2 114 . 3.786 10.81 9.613 1 20.1 ? N TYR H 117 1 -ATOM 1219 C CA . TYR B 2 114 . 4.068 9.387 9.826 1 20.8 ? CA TYR H 117 1 -ATOM 1220 C C . TYR B 2 114 . 5.454 9.111 10.374 1 21.48 ? C TYR H 117 1 -ATOM 1221 O O . TYR B 2 114 . 5.665 7.936 10.751 1 22.36 ? O TYR H 117 1 -ATOM 1222 C CB . TYR B 2 114 . 3.88 8.674 8.455 1 19.45 ? CB TYR H 117 1 -ATOM 1223 C CG . TYR B 2 114 . 2.488 8.98 7.894 1 20.07 ? CG TYR H 117 1 -ATOM 1224 C CD1 . TYR B 2 114 . 1.345 8.576 8.541 1 17.64 ? CD1 TYR H 117 1 -ATOM 1225 C CD2 . TYR B 2 114 . 2.373 9.943 6.879 1 19.76 ? CD2 TYR H 117 1 -ATOM 1226 C CE1 . TYR B 2 114 . 0.123 8.94 7.998 1 22.32 ? CE1 TYR H 117 1 -ATOM 1227 C CE2 . TYR B 2 114 . 1.145 10.371 6.339 1 21.32 ? CE2 TYR H 117 1 -ATOM 1228 C CZ . TYR B 2 114 . 0.014 9.874 6.948 1 21.66 ? CZ TYR H 117 1 -ATOM 1229 O OH . TYR B 2 114 . -1.259 10.177 6.529 1 26.4 ? OH TYR H 117 1 -ATOM 1230 N N . ILE B 2 115 . 6.371 10.029 10.228 1 21 ? N ILE H 118 1 -ATOM 1231 C CA . ILE B 2 115 . 7.769 10.091 10.547 1 20.69 ? CA ILE H 118 1 -ATOM 1232 C C . ILE B 2 115 . 8.18 11.263 11.458 1 22.07 ? C ILE H 118 1 -ATOM 1233 O O . ILE B 2 115 . 8.05 12.464 11.115 1 20.94 ? O ILE H 118 1 -ATOM 1234 C CB . ILE B 2 115 . 8.611 10.18 9.203 1 19.29 ? CB ILE H 118 1 -ATOM 1235 C CG1 . ILE B 2 115 . 8.045 9.158 8.16 1 15.27 ? CG1 ILE H 118 1 -ATOM 1236 C CG2 . ILE B 2 115 . 10.116 10.026 9.453 1 15.3 ? CG2 ILE H 118 1 -ATOM 1237 C CD1 . ILE B 2 115 . 9.004 9.28 6.919 1 17.1 ? CD1 ILE H 118 1 -ATOM 1238 N N . HIS B 2 116 . 8.479 10.862 12.69 1 21.26 ? N HIS H 119 1 -ATOM 1239 C CA . HIS B 2 116 . 8.817 11.806 13.773 1 21.92 ? CA HIS H 119 1 -ATOM 1240 C C . HIS B 2 116 . 9.81 11.164 14.73 1 21.75 ? C HIS H 119 1 -ATOM 1241 O O . HIS B 2 116 . 9.534 10.009 15.09 1 21.26 ? O HIS H 119 1 -ATOM 1242 C CB . HIS B 2 116 . 7.497 12.308 14.435 1 23.2 ? CB HIS H 119 1 -ATOM 1243 C CG . HIS B 2 116 . 7.784 13.553 15.245 1 25.12 ? CG HIS H 119 1 -ATOM 1244 N ND1 . HIS B 2 116 . 8.208 14.751 14.643 1 27.27 ? ND1 HIS H 119 1 -ATOM 1245 C CD2 . HIS B 2 116 . 7.858 13.754 16.573 1 23.78 ? CD2 HIS H 119 1 -ATOM 1246 C CE1 . HIS B 2 116 . 8.58 15.593 15.603 1 26.45 ? CE1 HIS H 119 1 -ATOM 1247 N NE2 . HIS B 2 116 . 8.353 15.008 16.78 1 25.2 ? NE2 HIS H 119 1 -ATOM 1248 N N . PRO B 2 117 . 10.883 11.784 15.217 1 21.13 ? N PRO H 120 1 -ATOM 1249 C CA . PRO B 2 117 . 11.821 11.133 16.167 1 19.41 ? CA PRO H 120 1 -ATOM 1250 C C . PRO B 2 117 . 11.336 10.98 17.586 1 18.9 ? C PRO H 120 1 -ATOM 1251 O O . PRO B 2 117 . 10.425 11.659 18.095 1 18.72 ? O PRO H 120 1 -ATOM 1252 C CB . PRO B 2 117 . 13.033 12.035 16.156 1 20.1 ? CB PRO H 120 1 -ATOM 1253 C CG . PRO B 2 117 . 12.689 13.257 15.311 1 19.53 ? CG PRO H 120 1 -ATOM 1254 C CD . PRO B 2 117 . 11.265 13.147 14.84 1 20.33 ? CD PRO H 120 1 -ATOM 1255 N N . VAL B 2 118 . 11.9 9.999 18.335 1 17.99 ? N VAL H 121 1 -ATOM 1256 C CA . VAL B 2 118 . 11.56 9.775 19.767 1 16.83 ? CA VAL H 121 1 -ATOM 1257 C C . VAL B 2 118 . 12.637 10.511 20.595 1 16.53 ? C VAL H 121 1 -ATOM 1258 O O . VAL B 2 118 . 13.745 10.808 20.107 1 17.51 ? O VAL H 121 1 -ATOM 1259 C CB . VAL B 2 118 . 11.429 8.28 20.241 1 15.08 ? CB VAL H 121 1 -ATOM 1260 C CG1 . VAL B 2 118 . 12.768 7.633 20.498 1 10.94 ? CG1 VAL H 121 1 -ATOM 1261 C CG2 . VAL B 2 118 . 10.611 8.085 21.475 1 10 ? CG2 VAL H 121 1 -ATOM 1262 N N . CYS B 2 119 . 12.312 10.813 21.83 1 16.81 ? N CYS H 122 1 -ATOM 1263 C CA . CYS B 2 119 . 13.325 11.531 22.665 1 17.81 ? CA CYS H 122 1 -ATOM 1264 C C . CYS B 2 119 . 14.191 10.544 23.42 1 17.73 ? C CYS H 122 1 -ATOM 1265 O O . CYS B 2 119 . 13.551 9.601 23.891 1 16.55 ? O CYS H 122 1 -ATOM 1266 C CB . CYS B 2 119 . 12.604 12.338 23.756 1 16.81 ? CB CYS H 122 1 -ATOM 1267 S SG . CYS B 2 119 . 11.611 13.761 23.236 1 17.29 ? SG CYS H 122 1 -ATOM 1268 N N . LEU B 2 120 . 15.435 10.805 23.681 1 18.66 ? N LEU H 123 1 -ATOM 1269 C CA . LEU B 2 120 . 16.309 9.973 24.539 1 20.11 ? CA LEU H 123 1 -ATOM 1270 C C . LEU B 2 120 . 16.186 10.612 25.949 1 21.93 ? C LEU H 123 1 -ATOM 1271 O O . LEU B 2 120 . 16.075 11.829 26.039 1 20.93 ? O LEU H 123 1 -ATOM 1272 C CB . LEU B 2 120 . 17.712 9.906 23.977 1 17.69 ? CB LEU H 123 1 -ATOM 1273 C CG . LEU B 2 120 . 18.247 9.404 22.679 1 14.08 ? CG LEU H 123 1 -ATOM 1274 C CD1 . LEU B 2 120 . 19.754 9.58 22.49 1 10 ? CD1 LEU H 123 1 -ATOM 1275 C CD2 . LEU B 2 120 . 17.777 7.939 22.672 1 15.16 ? CD2 LEU H 123 1 -ATOM 1276 N N . PRO B 2 121 . 16.132 9.777 27.018 1 23.87 ? N PRO H 124 1 -ATOM 1277 C CA . PRO B 2 121 . 15.901 10.237 28.372 1 24.07 ? CA PRO H 124 1 -ATOM 1278 C C . PRO B 2 121 . 17.079 10.974 28.99 1 25.1 ? C PRO H 124 1 -ATOM 1279 O O . PRO B 2 121 . 18.209 10.739 28.561 1 23.95 ? O PRO H 124 1 -ATOM 1280 C CB . PRO B 2 121 . 15.73 8.954 29.18 1 23.79 ? CB PRO H 124 1 -ATOM 1281 C CG . PRO B 2 121 . 15.947 7.787 28.225 1 21.69 ? CG PRO H 124 1 -ATOM 1282 C CD . PRO B 2 121 . 16.278 8.327 26.86 1 23.12 ? CD PRO H 124 1 -ATOM 1283 N N . ASP B 2 122 . 16.767 11.847 29.921 1 27.15 ? N ASP H 125 1 -ATOM 1284 C CA . ASP B 2 122 . 17.803 12.53 30.741 1 28.68 ? CA ASP H 125 1 -ATOM 1285 C C . ASP B 2 122 . 17.858 11.912 32.147 1 30.21 ? C ASP H 125 1 -ATOM 1286 O O . ASP B 2 122 . 16.798 11.54 32.745 1 31.72 ? O ASP H 125 1 -ATOM 1287 C CB . ASP B 2 122 . 17.383 13.992 30.707 1 30.67 ? CB ASP H 125 1 -ATOM 1288 C CG . ASP B 2 122 . 15.954 14.055 31.239 1 33.22 ? CG ASP H 125 1 -ATOM 1289 O OD1 . ASP B 2 122 . 15.844 14.119 32.49 1 37.88 ? OD1 ASP H 125 1 -ATOM 1290 O OD2 . ASP B 2 122 . 14.94 14.048 30.535 1 33.48 ? OD2 ASP H 125 1 -ATOM 1291 N N . ARG B 2 123 . 18.97 11.863 32.854 1 30.44 ? N ARG H 126 1 -ATOM 1292 C CA . ARG B 2 123 . 19.018 11.244 34.169 1 31.21 ? CA ARG H 126 1 -ATOM 1293 C C . ARG B 2 123 . 17.739 11.441 34.955 1 32.33 ? C ARG H 126 1 -ATOM 1294 O O . ARG B 2 123 . 17.42 10.438 35.631 1 31.92 ? O ARG H 126 1 -ATOM 1295 C CB . ARG B 2 123 . 20.184 11.619 35.079 1 36.51 ? CB ARG H 126 1 -ATOM 1296 C CG . ARG B 2 123 . 20.274 10.932 36.46 1 41.74 ? CG ARG H 126 1 -ATOM 1297 C CD . ARG B 2 123 . 21.304 11.595 37.309 1 47.69 ? CD ARG H 126 1 -ATOM 1298 N NE . ARG B 2 123 . 21.809 11.056 38.572 1 50 ? NE ARG H 126 1 -ATOM 1299 C CZ . ARG B 2 123 . 21.56 11.469 39.833 1 50 ? CZ ARG H 126 1 -ATOM 1300 N NH1 . ARG B 2 123 . 20.593 12.38 40.044 1 50 ? NH1 ARG H 126 1 -ATOM 1301 N NH2 . ARG B 2 123 . 22.125 11.052 40.968 1 50 ? NH2 ARG H 126 1 -ATOM 1302 N N . GLU B 2 124 . 17.004 12.528 34.866 1 32.87 ? N GLU H 127 1 -ATOM 1303 C CA . GLU B 2 124 . 15.838 12.738 35.737 1 32.72 ? CA GLU H 127 1 -ATOM 1304 C C . GLU B 2 124 . 14.585 12.094 35.253 1 32.66 ? C GLU H 127 1 -ATOM 1305 O O . GLU B 2 124 . 13.67 11.635 35.998 1 33.39 ? O GLU H 127 1 -ATOM 1306 C CB . GLU B 2 124 . 15.555 14.203 36.069 1 37.47 ? CB GLU H 127 1 -ATOM 1307 C CG . GLU B 2 124 . 16.115 15.344 35.214 1 40.95 ? CG GLU H 127 1 -ATOM 1308 C CD . GLU B 2 124 . 17.624 15.391 35.052 1 43.21 ? CD GLU H 127 1 -ATOM 1309 O OE1 . GLU B 2 124 . 18.394 14.979 35.954 1 44.66 ? OE1 GLU H 127 1 -ATOM 1310 O OE2 . GLU B 2 124 . 17.974 15.915 33.941 1 43.3 ? OE2 GLU H 127 1 -ATOM 1311 N N . THR B 2 125 . 14.487 12.13 33.942 1 32.36 ? N THR H 128 1 -ATOM 1312 C CA . THR B 2 125 . 13.29 11.455 33.333 1 31.98 ? CA THR H 128 1 -ATOM 1313 C C . THR B 2 125 . 13.378 9.935 33.572 1 30.5 ? C THR H 128 1 -ATOM 1314 O O . THR B 2 125 . 12.452 9.346 34.067 1 29.95 ? O THR H 128 1 -ATOM 1315 C CB . THR B 2 125 . 13.11 11.791 31.803 1 32.15 ? CB THR H 128 1 -ATOM 1316 O OG1 . THR B 2 125 . 12.899 13.259 31.775 1 28.36 ? OG1 THR H 128 1 -ATOM 1317 C CG2 . THR B 2 125 . 12.013 10.931 31.199 1 27.3 ? CG2 THR H 128 1 -ATOM 1318 N N . ALA B 2 126 . 14.514 9.37 33.349 1 30.42 ? N ALA H 129 1 -ATOM 1319 C CA . ALA B 2 126 . 14.976 7.99 33.457 1 30.85 ? CA ALA H 129 1 -ATOM 1320 C C . ALA B 2 126 . 14.735 7.541 34.894 1 30.8 ? C ALA H 129 1 -ATOM 1321 O O . ALA B 2 126 . 13.956 6.657 35.321 1 31.08 ? O ALA H 129 1 -ATOM 1322 C CB . ALA B 2 126 . 16.435 7.927 32.946 1 28.99 ? CB ALA H 129 1 -ATOM 1323 N N . ALA B 2 127 A 15.156 8.45 35.767 1 31.4 ? N ALA H 129 1 -ATOM 1324 C CA . ALA B 2 127 A 15.045 8.276 37.207 1 30.08 ? CA ALA H 129 1 -ATOM 1325 C C . ALA B 2 127 A 13.612 8.312 37.631 1 30.85 ? C ALA H 129 1 -ATOM 1326 O O . ALA B 2 127 A 13.27 7.319 38.322 1 32.5 ? O ALA H 129 1 -ATOM 1327 C CB . ALA B 2 127 A 15.972 9.247 37.896 1 32.86 ? CB ALA H 129 1 -ATOM 1328 N N . SER B 2 128 B 12.71 9.16 37.189 1 31.57 ? N SER H 129 1 -ATOM 1329 C CA . SER B 2 128 B 11.326 9.046 37.736 1 31.36 ? CA SER H 129 1 -ATOM 1330 C C . SER B 2 128 B 10.39 8.083 37.003 1 30.08 ? C SER H 129 1 -ATOM 1331 O O . SER B 2 128 B 9.341 7.692 37.581 1 29.54 ? O SER H 129 1 -ATOM 1332 C CB . SER B 2 128 B 10.717 10.436 37.945 1 37.27 ? CB SER H 129 1 -ATOM 1333 O OG . SER B 2 128 B 10.027 10.929 36.795 1 40.34 ? OG SER H 129 1 -ATOM 1334 N N . LEU B 2 129 C 10.818 7.52 35.891 1 27.86 ? N LEU H 129 1 -ATOM 1335 C CA . LEU B 2 129 C 9.893 6.692 35.114 1 27.99 ? CA LEU H 129 1 -ATOM 1336 C C . LEU B 2 129 C 10.241 5.206 35.242 1 27.33 ? C LEU H 129 1 -ATOM 1337 O O . LEU B 2 129 C 9.297 4.411 35.327 1 25.64 ? O LEU H 129 1 -ATOM 1338 C CB . LEU B 2 129 C 9.829 7.197 33.655 1 25.82 ? CB LEU H 129 1 -ATOM 1339 C CG . LEU B 2 129 C 8.922 8.429 33.439 1 25.66 ? CG LEU H 129 1 -ATOM 1340 C CD1 . LEU B 2 129 C 8.878 8.693 31.953 1 25.93 ? CD1 LEU H 129 1 -ATOM 1341 C CD2 . LEU B 2 129 C 7.513 8.267 34.007 1 21.27 ? CD2 LEU H 129 1 -ATOM 1342 N N . LEU B 2 130 . 11.549 4.994 35.216 1 28.06 ? N LEU H 130 1 -ATOM 1343 C CA . LEU B 2 130 . 12.013 3.57 35.263 1 28.43 ? CA LEU H 130 1 -ATOM 1344 C C . LEU B 2 130 . 11.806 2.976 36.653 1 28.77 ? C LEU H 130 1 -ATOM 1345 O O . LEU B 2 130 . 12.754 2.85 37.454 1 30.23 ? O LEU H 130 1 -ATOM 1346 C CB . LEU B 2 130 . 13.433 3.565 34.781 1 27.85 ? CB LEU H 130 1 -ATOM 1347 C CG . LEU B 2 130 . 13.882 3.392 33.359 1 28.68 ? CG LEU H 130 1 -ATOM 1348 C CD1 . LEU B 2 130 . 15.356 3.003 33.371 1 29.89 ? CD1 LEU H 130 1 -ATOM 1349 C CD2 . LEU B 2 130 . 13.056 2.286 32.685 1 27.44 ? CD2 LEU H 130 1 -ATOM 1350 N N . GLN B 2 131 . 10.594 2.701 36.983 1 28.09 ? N GLN H 131 1 -ATOM 1351 C CA . GLN B 2 131 . 10.131 2.195 38.257 1 29.7 ? CA GLN H 131 1 -ATOM 1352 C C . GLN B 2 131 . 9.117 1.044 38.003 1 29.79 ? C GLN H 131 1 -ATOM 1353 O O . GLN B 2 131 . 8.335 0.963 37.045 1 29.44 ? O GLN H 131 1 -ATOM 1354 C CB . GLN B 2 131 . 9.523 3.319 39.05 1 32.42 ? CB GLN H 131 1 -ATOM 1355 C CG . GLN B 2 131 . 10.34 4.493 39.509 1 36.6 ? CG GLN H 131 1 -ATOM 1356 C CD . GLN B 2 131 . 9.473 5.172 40.569 1 43.49 ? CD GLN H 131 1 -ATOM 1357 O OE1 . GLN B 2 131 . 9.762 6.276 41.069 1 47.81 ? OE1 GLN H 131 1 -ATOM 1358 N NE2 . GLN B 2 131 . 8.381 4.494 41.003 1 44.6 ? NE2 GLN H 131 1 -ATOM 1359 N N . ALA B 2 132 . 9.282 0.026 38.851 1 29.76 ? N ALA H 132 1 -ATOM 1360 C CA . ALA B 2 132 . 8.558 -1.233 38.721 1 28.5 ? CA ALA H 132 1 -ATOM 1361 C C . ALA B 2 132 . 7.092 -0.809 38.864 1 28.9 ? C ALA H 132 1 -ATOM 1362 O O . ALA B 2 132 . 6.864 -0.13 39.892 1 27.43 ? O ALA H 132 1 -ATOM 1363 C CB . ALA B 2 132 . 8.908 -2.211 39.83 1 30.2 ? CB ALA H 132 1 -ATOM 1364 N N . GLY B 2 133 . 6.346 -1.466 37.983 1 27.83 ? N GLY H 133 1 -ATOM 1365 C CA . GLY B 2 133 . 4.901 -1.152 38.037 1 28.39 ? CA GLY H 133 1 -ATOM 1366 C C . GLY B 2 133 . 4.525 -0.216 36.876 1 27.5 ? C GLY H 133 1 -ATOM 1367 O O . GLY B 2 133 . 3.406 -0.323 36.351 1 28.22 ? O GLY H 133 1 -ATOM 1368 N N . TYR B 2 134 . 5.505 0.656 36.631 1 26.73 ? N TYR H 134 1 -ATOM 1369 C CA . TYR B 2 134 . 5.283 1.587 35.513 1 25.81 ? CA TYR H 134 1 -ATOM 1370 C C . TYR B 2 134 . 5.19 0.79 34.218 1 23.87 ? C TYR H 134 1 -ATOM 1371 O O . TYR B 2 134 . 6.214 0.202 33.849 1 25.27 ? O TYR H 134 1 -ATOM 1372 C CB . TYR B 2 134 . 6.367 2.696 35.48 1 23.66 ? CB TYR H 134 1 -ATOM 1373 C CG . TYR B 2 134 . 6.183 3.783 36.543 1 25.33 ? CG TYR H 134 1 -ATOM 1374 C CD1 . TYR B 2 134 . 5.475 3.513 37.723 1 24.44 ? CD1 TYR H 134 1 -ATOM 1375 C CD2 . TYR B 2 134 . 6.73 5.055 36.334 1 25.9 ? CD2 TYR H 134 1 -ATOM 1376 C CE1 . TYR B 2 134 . 5.327 4.512 38.697 1 25.53 ? CE1 TYR H 134 1 -ATOM 1377 C CE2 . TYR B 2 134 . 6.584 6.052 37.307 1 28.86 ? CE2 TYR H 134 1 -ATOM 1378 C CZ . TYR B 2 134 . 5.885 5.78 38.488 1 29.77 ? CZ TYR H 134 1 -ATOM 1379 O OH . TYR B 2 134 . 5.755 6.751 39.434 1 32.92 ? OH TYR H 134 1 -ATOM 1380 N N . LYS B 2 135 . 4.295 1.186 33.336 1 23.53 ? N LYS H 135 1 -ATOM 1381 C CA . LYS B 2 135 . 4.129 0.638 31.989 1 21.76 ? CA LYS H 135 1 -ATOM 1382 C C . LYS B 2 135 . 4.757 1.484 30.883 1 20.59 ? C LYS H 135 1 -ATOM 1383 O O . LYS B 2 135 . 4.735 2.694 30.929 1 19.47 ? O LYS H 135 1 -ATOM 1384 C CB . LYS B 2 135 . 2.635 0.6 31.636 1 23.11 ? CB LYS H 135 1 -ATOM 1385 C CG . LYS B 2 135 . 1.95 -0.471 32.467 1 23.76 ? CG LYS H 135 1 -ATOM 1386 C CD . LYS B 2 135 . 0.528 -0.708 32.015 1 22.48 ? CD LYS H 135 1 -ATOM 1387 C CE . LYS B 2 135 . -0.053 -1.616 33.089 1 21.84 ? CE LYS H 135 1 -ATOM 1388 N NZ . LYS B 2 135 . -1.533 -1.673 33.033 1 28.28 ? NZ LYS H 135 1 -ATOM 1389 N N . GLY B 2 136 . 5.32 0.81 29.91 1 18.99 ? N GLY H 136 1 -ATOM 1390 C CA . GLY B 2 136 . 6.018 1.184 28.703 1 17.06 ? CA GLY H 136 1 -ATOM 1391 C C . GLY B 2 136 . 5.209 0.534 27.548 1 15.86 ? C GLY H 136 1 -ATOM 1392 O O . GLY B 2 136 . 4.347 -0.284 27.85 1 14.79 ? O GLY H 136 1 -ATOM 1393 N N . ARG B 2 137 . 5.677 0.72 26.327 1 14.57 ? N ARG H 137 1 -ATOM 1394 C CA . ARG B 2 137 . 4.886 0.286 25.203 1 14.44 ? CA ARG H 137 1 -ATOM 1395 C C . ARG B 2 137 . 5.877 -0.354 24.26 1 14.8 ? C ARG H 137 1 -ATOM 1396 O O . ARG B 2 137 . 6.826 0.424 24.174 1 12.06 ? O ARG H 137 1 -ATOM 1397 C CB . ARG B 2 137 . 4.21 1.47 24.472 1 16.8 ? CB ARG H 137 1 -ATOM 1398 C CG . ARG B 2 137 . 3.538 1.329 23.132 1 17.02 ? CG ARG H 137 1 -ATOM 1399 C CD . ARG B 2 137 . 2.657 2.425 22.604 1 17.33 ? CD ARG H 137 1 -ATOM 1400 N NE . ARG B 2 137 . 1.383 2.509 23.343 1 17.13 ? NE ARG H 137 1 -ATOM 1401 C CZ . ARG B 2 137 . 0.67 3.651 23.263 1 22.72 ? CZ ARG H 137 1 -ATOM 1402 N NH1 . ARG B 2 137 . 1.216 4.619 22.449 1 22.47 ? NH1 ARG H 137 1 -ATOM 1403 N NH2 . ARG B 2 137 . -0.442 3.902 23.955 1 19.87 ? NH2 ARG H 137 1 -ATOM 1404 N N . VAL B 2 138 . 5.543 -1.501 23.653 1 15.12 ? N VAL H 138 1 -ATOM 1405 C CA . VAL B 2 138 . 6.507 -2.079 22.693 1 15.44 ? CA VAL H 138 1 -ATOM 1406 C C . VAL B 2 138 . 5.675 -2.158 21.399 1 16.06 ? C VAL H 138 1 -ATOM 1407 O O . VAL B 2 138 . 4.486 -2.455 21.354 1 16.16 ? O VAL H 138 1 -ATOM 1408 C CB . VAL B 2 138 . 7.06 -3.506 22.997 1 18.26 ? CB VAL H 138 1 -ATOM 1409 C CG1 . VAL B 2 138 . 8.434 -3.892 22.514 1 11.9 ? CG1 VAL H 138 1 -ATOM 1410 C CG2 . VAL B 2 138 . 6.935 -3.947 24.447 1 18.91 ? CG2 VAL H 138 1 -ATOM 1411 N N . THR B 2 139 . 6.453 -2.134 20.328 1 17.64 ? N THR H 139 1 -ATOM 1412 C CA . THR B 2 139 . 5.928 -2.28 19.019 1 17.91 ? CA THR H 139 1 -ATOM 1413 C C . THR B 2 139 . 6.93 -2.964 18.103 1 18.12 ? C THR H 139 1 -ATOM 1414 O O . THR B 2 139 . 8.137 -2.906 18.278 1 16.73 ? O THR H 139 1 -ATOM 1415 C CB . THR B 2 139 . 5.476 -0.879 18.394 1 22.29 ? CB THR H 139 1 -ATOM 1416 O OG1 . THR B 2 139 . 6.791 -0.296 18.142 1 25.07 ? OG1 THR H 139 1 -ATOM 1417 C CG2 . THR B 2 139 . 4.543 -0.097 19.33 1 19.17 ? CG2 THR H 139 1 -ATOM 1418 N N . GLY B 2 140 . 6.239 -3.528 17.182 1 16.97 ? N GLY H 140 1 -ATOM 1419 C CA . GLY B 2 140 . 6.922 -4.344 16.179 1 18.24 ? CA GLY H 140 1 -ATOM 1420 C C . GLY B 2 140 . 5.917 -5.171 15.377 1 18.61 ? C GLY H 140 1 -ATOM 1421 O O . GLY B 2 140 . 4.751 -5.321 15.806 1 19.25 ? O GLY H 140 1 -ATOM 1422 N N . TRP B 2 141 . 6.475 -5.642 14.264 1 20.07 ? N TRP H 141 1 -ATOM 1423 C CA . TRP B 2 141 . 5.812 -6.471 13.245 1 22.91 ? CA TRP H 141 1 -ATOM 1424 C C . TRP B 2 141 . 6.213 -7.949 13.398 1 24.12 ? C TRP H 141 1 -ATOM 1425 O O . TRP B 2 141 . 6.503 -8.639 12.395 1 23.66 ? O TRP H 141 1 -ATOM 1426 C CB . TRP B 2 141 . 6.253 -6.021 11.848 1 24.98 ? CB TRP H 141 1 -ATOM 1427 C CG . TRP B 2 141 . 5.757 -4.63 11.418 1 26.81 ? CG TRP H 141 1 -ATOM 1428 C CD1 . TRP B 2 141 . 4.508 -4.289 11.08 1 26.95 ? CD1 TRP H 141 1 -ATOM 1429 C CD2 . TRP B 2 141 . 6.57 -3.462 11.308 1 26.17 ? CD2 TRP H 141 1 -ATOM 1430 N NE1 . TRP B 2 141 . 4.53 -2.903 10.717 1 22.81 ? NE1 TRP H 141 1 -ATOM 1431 C CE2 . TRP B 2 141 . 5.75 -2.442 10.844 1 26.72 ? CE2 TRP H 141 1 -ATOM 1432 C CE3 . TRP B 2 141 . 7.926 -3.19 11.543 1 24.78 ? CE3 TRP H 141 1 -ATOM 1433 C CZ2 . TRP B 2 141 . 6.213 -1.149 10.561 1 26.16 ? CZ2 TRP H 141 1 -ATOM 1434 C CZ3 . TRP B 2 141 . 8.382 -1.879 11.273 1 28.55 ? CZ3 TRP H 141 1 -ATOM 1435 C CH2 . TRP B 2 141 . 7.565 -0.91 10.801 1 27.51 ? CH2 TRP H 141 1 -ATOM 1436 N N . GLY B 2 142 . 6.848 -8.43 14.46 1 24.95 ? N GLY H 142 1 -ATOM 1437 C CA . GLY B 2 142 . 7.337 -9.784 14.748 1 25.58 ? CA GLY H 142 1 -ATOM 1438 C C . GLY B 2 142 . 6.174 -10.773 14.954 1 27.84 ? C GLY H 142 1 -ATOM 1439 O O . GLY B 2 142 . 4.937 -10.62 14.88 1 25.02 ? O GLY H 142 1 -ATOM 1440 N N . ASN B 2 143 . 6.688 -11.925 15.422 1 29.32 ? N ASN H 143 1 -ATOM 1441 C CA . ASN B 2 143 . 5.874 -13.126 15.656 1 28.97 ? CA ASN H 143 1 -ATOM 1442 C C . ASN B 2 143 . 4.688 -12.793 16.546 1 27.12 ? C ASN H 143 1 -ATOM 1443 O O . ASN B 2 143 . 5.105 -12.217 17.522 1 26.68 ? O ASN H 143 1 -ATOM 1444 C CB . ASN B 2 143 . 6.672 -14.253 16.292 1 30.27 ? CB ASN H 143 1 -ATOM 1445 C CG . ASN B 2 143 . 7.671 -14.886 15.352 1 33.06 ? CG ASN H 143 1 -ATOM 1446 O OD1 . ASN B 2 143 . 7.958 -14.546 14.197 1 30.13 ? OD1 ASN H 143 1 -ATOM 1447 N ND2 . ASN B 2 143 . 8.221 -15.939 16.027 1 38.66 ? ND2 ASN H 143 1 -ATOM 1448 N N . LEU B 2 144 . 3.57 -13.413 16.274 1 27.55 ? N LEU H 144 1 -ATOM 1449 C CA . LEU B 2 144 . 2.345 -13.29 17.029 1 27.49 ? CA LEU H 144 1 -ATOM 1450 C C . LEU B 2 144 . 2.314 -14.324 18.108 1 27.06 ? C LEU H 144 1 -ATOM 1451 O O . LEU B 2 144 . 1.354 -14.145 18.857 1 27.55 ? O LEU H 144 1 -ATOM 1452 C CB . LEU B 2 144 . 1.025 -13.358 16.247 1 29.97 ? CB LEU H 144 1 -ATOM 1453 C CG . LEU B 2 144 . 0.854 -12.204 15.254 1 32.26 ? CG LEU H 144 1 -ATOM 1454 C CD1 . LEU B 2 144 . -0.102 -12.531 14.126 1 28.68 ? CD1 LEU H 144 1 -ATOM 1455 C CD2 . LEU B 2 144 . 0.407 -10.982 16.091 1 31.85 ? CD2 LEU H 144 1 -ATOM 1456 N N . LYS B 2 145 . 3.133 -15.34 17.998 1 28.98 ? N LYS H 145 1 -ATOM 1457 C CA . LYS B 2 145 . 3.148 -16.354 19.112 1 31.41 ? CA LYS H 145 1 -ATOM 1458 C C . LYS B 2 145 . 4.512 -17.056 19.046 1 31.34 ? C LYS H 145 1 -ATOM 1459 O O . LYS B 2 145 . 5.208 -16.951 18.01 1 30.07 ? O LYS H 145 1 -ATOM 1460 C CB . LYS B 2 145 . 2.028 -17.337 19.301 1 35.4 ? CB LYS H 145 1 -ATOM 1461 C CG . LYS B 2 145 . 1.415 -17.95 18.03 1 42.15 ? CG LYS H 145 1 -ATOM 1462 C CD . LYS B 2 145 . 0.403 -19.061 18.433 1 46.19 ? CD LYS H 145 1 -ATOM 1463 C CE . LYS B 2 145 . -0.831 -19.018 17.52 1 47.54 ? CE LYS H 145 1 -ATOM 1464 N NZ . LYS B 2 145 . -1.03 -17.57 17.13 1 50 ? NZ LYS H 145 1 -ATOM 1465 N N . GLU B 2 146 . 4.841 -17.622 20.208 1 32.42 ? N GLU H 146 1 -ATOM 1466 C CA . GLU B 2 146 . 6.209 -18.149 20.306 1 35.71 ? CA GLU H 146 1 -ATOM 1467 C C . GLU B 2 146 . 6.7 -19.132 19.281 1 38.65 ? C GLU H 146 1 -ATOM 1468 O O . GLU B 2 146 . 7.882 -19.425 19.03 1 39.98 ? O GLU H 146 1 -ATOM 1469 C CB . GLU B 2 146 . 6.452 -18.861 21.641 1 36.51 ? CB GLU H 146 1 -ATOM 1470 C CG . GLU B 2 146 . 7.888 -19.392 21.607 1 38.21 ? CG GLU H 146 1 -ATOM 1471 C CD . GLU B 2 146 . 8.31 -19.881 22.967 1 39.67 ? CD GLU H 146 1 -ATOM 1472 O OE1 . GLU B 2 146 . 7.47 -19.528 23.832 1 37.46 ? OE1 GLU H 146 1 -ATOM 1473 O OE2 . GLU B 2 146 . 9.331 -20.555 22.948 1 41.72 ? OE2 GLU H 146 1 -ATOM 1474 N N . THR B 2 147 . 5.735 -19.898 18.836 1 41.9 ? N THR H 147 1 -ATOM 1475 C CA . THR B 2 147 . 5.713 -20.993 17.862 1 43.59 ? CA THR H 147 1 -ATOM 1476 C C . THR B 2 147 . 4.195 -21.332 17.794 1 44.57 ? C THR H 147 1 -ATOM 1477 O O . THR B 2 147 . 3.591 -21.235 18.934 1 46.31 ? O THR H 147 1 -ATOM 1478 C CB . THR B 2 147 . 6.671 -22.204 18.207 1 43.66 ? CB THR H 147 1 -ATOM 1479 O OG1 . THR B 2 147 . 6.84 -23.011 16.97 1 44.29 ? OG1 THR H 147 1 -ATOM 1480 C CG2 . THR B 2 147 . 6.242 -23.139 19.345 1 43.36 ? CG2 THR H 147 1 -ATOM 1481 N N . GLY B 2 155 . 0.942 -16.292 13.477 1 39.25 ? N GLY H 150 1 -ATOM 1482 C CA . GLY B 2 155 . 1.815 -16.012 12.319 1 38.09 ? CA GLY H 150 1 -ATOM 1483 C C . GLY B 2 155 . 2.401 -14.606 12.451 1 38.07 ? C GLY H 150 1 -ATOM 1484 O O . GLY B 2 155 . 2.635 -14.122 13.567 1 37.78 ? O GLY H 150 1 -ATOM 1485 N N . GLN B 2 156 . 2.633 -13.988 11.295 1 37.26 ? N GLN H 151 1 -ATOM 1486 C CA . GLN B 2 156 . 3.154 -12.605 11.229 1 37.54 ? CA GLN H 151 1 -ATOM 1487 C C . GLN B 2 156 . 1.962 -11.685 11.001 1 36.74 ? C GLN H 151 1 -ATOM 1488 O O . GLN B 2 156 . 0.844 -12.166 10.725 1 37.57 ? O GLN H 151 1 -ATOM 1489 C CB . GLN B 2 156 . 4.184 -12.419 10.069 1 40.07 ? CB GLN H 151 1 -ATOM 1490 C CG . GLN B 2 156 . 5.652 -12.741 10.477 1 47.34 ? CG GLN H 151 1 -ATOM 1491 C CD . GLN B 2 156 . 6.687 -11.61 10.178 1 48.98 ? CD GLN H 151 1 -ATOM 1492 O OE1 . GLN B 2 156 . 6.954 -11.282 9.016 1 49.79 ? OE1 GLN H 151 1 -ATOM 1493 N NE2 . GLN B 2 156 . 7.306 -10.987 11.17 1 48.44 ? NE2 GLN H 151 1 -ATOM 1494 N N . PRO B 2 157 . 2.046 -10.476 11.451 1 34.98 ? N PRO H 152 1 -ATOM 1495 C CA . PRO B 2 157 . 0.899 -9.545 11.501 1 31.59 ? CA PRO H 152 1 -ATOM 1496 C C . PRO B 2 157 . 0.876 -8.866 10.14 1 28.03 ? C PRO H 152 1 -ATOM 1497 O O . PRO B 2 157 . 1.919 -8.961 9.455 1 25.86 ? O PRO H 152 1 -ATOM 1498 C CB . PRO B 2 157 . 1.212 -8.613 12.675 1 31.86 ? CB PRO H 152 1 -ATOM 1499 C CG . PRO B 2 157 . 2.641 -8.92 13.097 1 33.03 ? CG PRO H 152 1 -ATOM 1500 C CD . PRO B 2 157 . 3.225 -9.904 12.116 1 34.57 ? CD PRO H 152 1 -ATOM 1501 N N . SER B 2 158 . -0.267 -8.264 9.776 1 26.59 ? N SER H 153 1 -ATOM 1502 C CA . SER B 2 158 . -0.254 -7.496 8.506 1 26.01 ? CA SER H 153 1 -ATOM 1503 C C . SER B 2 158 . 0.119 -6.041 8.862 1 25.6 ? C SER H 153 1 -ATOM 1504 O O . SER B 2 158 . 0.808 -5.298 8.141 1 26.72 ? O SER H 153 1 -ATOM 1505 C CB . SER B 2 158 . -1.516 -7.543 7.673 1 25.5 ? CB SER H 153 1 -ATOM 1506 O OG . SER B 2 158 . -2.644 -7.322 8.488 1 27.21 ? OG SER H 153 1 -ATOM 1507 N N . VAL B 2 159 . -0.205 -5.65 10.049 1 25.39 ? N VAL H 154 1 -ATOM 1508 C CA . VAL B 2 159 . 0.026 -4.306 10.625 1 25.07 ? CA VAL H 154 1 -ATOM 1509 C C . VAL B 2 159 . 0.946 -4.335 11.849 1 23.31 ? C VAL H 154 1 -ATOM 1510 O O . VAL B 2 159 . 1.01 -5.271 12.659 1 23.28 ? O VAL H 154 1 -ATOM 1511 C CB . VAL B 2 159 . -1.446 -3.859 10.881 1 24.83 ? CB VAL H 154 1 -ATOM 1512 C CG1 . VAL B 2 159 . -1.809 -3.314 12.242 1 25.01 ? CG1 VAL H 154 1 -ATOM 1513 C CG2 . VAL B 2 159 . -1.907 -2.873 9.834 1 25.79 ? CG2 VAL H 154 1 -ATOM 1514 N N . LEU B 2 160 . 1.556 -3.17 12.102 1 23.01 ? N LEU H 155 1 -ATOM 1515 C CA . LEU B 2 160 . 2.345 -2.935 13.328 1 19.99 ? CA LEU H 155 1 -ATOM 1516 C C . LEU B 2 160 . 1.558 -3.299 14.539 1 16.65 ? C LEU H 155 1 -ATOM 1517 O O . LEU B 2 160 . 0.4 -2.906 14.562 1 17.25 ? O LEU H 155 1 -ATOM 1518 C CB . LEU B 2 160 . 2.772 -1.43 13.343 1 16.09 ? CB LEU H 155 1 -ATOM 1519 C CG . LEU B 2 160 . 3.634 -1.197 14.601 1 17.12 ? CG LEU H 155 1 -ATOM 1520 C CD1 . LEU B 2 160 . 4.951 -1.909 14.411 1 10 ? CD1 LEU H 155 1 -ATOM 1521 C CD2 . LEU B 2 160 . 3.857 0.323 14.745 1 19.07 ? CD2 LEU H 155 1 -ATOM 1522 N N . GLN B 2 161 . 2.04 -3.948 15.558 1 17.48 ? N GLN H 156 1 -ATOM 1523 C CA . GLN B 2 161 . 1.28 -4.349 16.767 1 15.63 ? CA GLN H 156 1 -ATOM 1524 C C . GLN B 2 161 . 1.848 -3.539 17.96 1 16.02 ? C GLN H 156 1 -ATOM 1525 O O . GLN B 2 161 . 3.038 -3.22 17.873 1 12.89 ? O GLN H 156 1 -ATOM 1526 C CB . GLN B 2 161 . 1.509 -5.821 17.172 1 18.96 ? CB GLN H 156 1 -ATOM 1527 C CG . GLN B 2 161 . 1.085 -6.917 16.195 1 16.11 ? CG GLN H 156 1 -ATOM 1528 C CD . GLN B 2 161 . -0.432 -6.778 16.08 1 18.91 ? CD GLN H 156 1 -ATOM 1529 O OE1 . GLN B 2 161 . -0.743 -6.209 15.034 1 18.31 ? OE1 GLN H 156 1 -ATOM 1530 N NE2 . GLN B 2 161 . -1.154 -6.914 17.199 1 16.27 ? NE2 GLN H 156 1 -ATOM 1531 N N . VAL B 2 162 . 1.053 -3.528 19.004 1 16.76 ? N VAL H 157 1 -ATOM 1532 C CA . VAL B 2 162 . 1.539 -2.771 20.174 1 19.87 ? CA VAL H 157 1 -ATOM 1533 C C . VAL B 2 162 . 1.103 -3.433 21.481 1 19.47 ? C VAL H 157 1 -ATOM 1534 O O . VAL B 2 162 . -0.057 -3.87 21.404 1 18.7 ? O VAL H 157 1 -ATOM 1535 C CB . VAL B 2 162 . 0.88 -1.365 19.94 1 21.47 ? CB VAL H 157 1 -ATOM 1536 C CG1 . VAL B 2 162 . 1.241 -1.026 18.483 1 27.47 ? CG1 VAL H 157 1 -ATOM 1537 C CG2 . VAL B 2 162 . -0.614 -1.232 20.078 1 22.27 ? CG2 VAL H 157 1 -ATOM 1538 N N . VAL B 2 163 . 1.926 -3.339 22.534 1 18.48 ? N VAL H 158 1 -ATOM 1539 C CA . VAL B 2 163 . 1.437 -3.898 23.813 1 18.54 ? CA VAL H 158 1 -ATOM 1540 C C . VAL B 2 163 . 2.048 -3.004 24.908 1 19.68 ? C VAL H 158 1 -ATOM 1541 O O . VAL B 2 163 . 3.071 -2.395 24.646 1 19.16 ? O VAL H 158 1 -ATOM 1542 C CB . VAL B 2 163 . 1.769 -5.38 23.822 1 19.25 ? CB VAL H 158 1 -ATOM 1543 C CG1 . VAL B 2 163 . 3.266 -5.551 23.692 1 16.98 ? CG1 VAL H 158 1 -ATOM 1544 C CG2 . VAL B 2 163 . 1.204 -6.155 25.004 1 19.83 ? CG2 VAL H 158 1 -ATOM 1545 N N . ASN B 2 164 . 1.399 -2.816 26.044 1 19.78 ? N ASN H 159 1 -ATOM 1546 C CA . ASN B 2 164 . 1.912 -1.96 27.088 1 20.6 ? CA ASN H 159 1 -ATOM 1547 C C . ASN B 2 164 . 2.354 -2.932 28.154 1 19.56 ? C ASN H 159 1 -ATOM 1548 O O . ASN B 2 164 . 1.405 -3.607 28.585 1 21.64 ? O ASN H 159 1 -ATOM 1549 C CB . ASN B 2 164 . 0.771 -1.038 27.593 1 23.02 ? CB ASN H 159 1 -ATOM 1550 C CG . ASN B 2 164 . 0.279 -0.065 26.536 1 24.32 ? CG ASN H 159 1 -ATOM 1551 O OD1 . ASN B 2 164 . 0.989 0.204 25.527 1 25.08 ? OD1 ASN H 159 1 -ATOM 1552 N ND2 . ASN B 2 164 . -0.994 0.28 26.562 1 25.13 ? ND2 ASN H 159 1 -ATOM 1553 N N . LEU B 2 165 . 3.469 -2.846 28.766 1 20.18 ? N LEU H 160 1 -ATOM 1554 C CA . LEU B 2 165 . 3.902 -3.742 29.856 1 21.41 ? CA LEU H 160 1 -ATOM 1555 C C . LEU B 2 165 . 4.4 -2.994 31.072 1 23.18 ? C LEU H 160 1 -ATOM 1556 O O . LEU B 2 165 . 5.123 -1.99 31.073 1 22.36 ? O LEU H 160 1 -ATOM 1557 C CB . LEU B 2 165 . 4.996 -4.61 29.165 1 21.99 ? CB LEU H 160 1 -ATOM 1558 C CG . LEU B 2 165 . 4.565 -5.372 27.927 1 23.14 ? CG LEU H 160 1 -ATOM 1559 C CD1 . LEU B 2 165 . 5.688 -5.839 27.02 1 24.63 ? CD1 LEU H 160 1 -ATOM 1560 C CD2 . LEU B 2 165 . 3.737 -6.598 28.363 1 23.38 ? CD2 LEU H 160 1 -ATOM 1561 N N . PRO B 2 166 . 4.267 -3.602 32.245 1 24.75 ? N PRO H 161 1 -ATOM 1562 C CA . PRO B 2 166 . 4.793 -2.988 33.479 1 24.83 ? CA PRO H 161 1 -ATOM 1563 C C . PRO B 2 166 . 6.266 -3.341 33.608 1 25.11 ? C PRO H 161 1 -ATOM 1564 O O . PRO B 2 166 . 6.659 -4.367 33.035 1 24.73 ? O PRO H 161 1 -ATOM 1565 C CB . PRO B 2 166 . 3.973 -3.614 34.584 1 25.17 ? CB PRO H 161 1 -ATOM 1566 C CG . PRO B 2 166 . 3.116 -4.701 33.948 1 25.23 ? CG PRO H 161 1 -ATOM 1567 C CD . PRO B 2 166 . 3.46 -4.801 32.487 1 25.58 ? CD PRO H 161 1 -ATOM 1568 N N . ILE B 2 167 . 7.089 -2.486 34.186 1 25 ? N ILE H 162 1 -ATOM 1569 C CA . ILE B 2 167 . 8.503 -2.614 34.488 1 24.63 ? CA ILE H 162 1 -ATOM 1570 C C . ILE B 2 167 . 8.475 -3.579 35.723 1 24.51 ? C ILE H 162 1 -ATOM 1571 O O . ILE B 2 167 . 7.661 -3.356 36.625 1 25.17 ? O ILE H 162 1 -ATOM 1572 C CB . ILE B 2 167 . 9.295 -1.34 34.921 1 24.38 ? CB ILE H 162 1 -ATOM 1573 C CG1 . ILE B 2 167 . 9.372 -0.209 33.84 1 27.59 ? CG1 ILE H 162 1 -ATOM 1574 C CG2 . ILE B 2 167 . 10.788 -1.637 35.263 1 26.47 ? CG2 ILE H 162 1 -ATOM 1575 C CD1 . ILE B 2 167 . 9.636 -0.833 32.453 1 26.88 ? CD1 ILE H 162 1 -ATOM 1576 N N . VAL B 2 168 . 9.365 -4.526 35.78 1 24.01 ? N VAL H 163 1 -ATOM 1577 C CA . VAL B 2 168 . 9.403 -5.596 36.812 1 24.97 ? CA VAL H 163 1 -ATOM 1578 C C . VAL B 2 168 . 10.703 -5.347 37.622 1 24.12 ? C VAL H 163 1 -ATOM 1579 O O . VAL B 2 168 . 11.803 -5.044 37.121 1 23.07 ? O VAL H 163 1 -ATOM 1580 C CB . VAL B 2 168 . 9.299 -7.019 36.147 1 23.47 ? CB VAL H 163 1 -ATOM 1581 C CG1 . VAL B 2 168 . 9.441 -8.255 37.049 1 21.3 ? CG1 VAL H 163 1 -ATOM 1582 C CG2 . VAL B 2 168 . 8.141 -7.227 35.188 1 23.15 ? CG2 VAL H 163 1 -ATOM 1583 N N . GLU B 2 169 . 10.537 -5.661 38.881 1 25.82 ? N GLU H 164 1 -ATOM 1584 C CA . GLU B 2 169 . 11.578 -5.524 39.924 1 28.85 ? CA GLU H 164 1 -ATOM 1585 C C . GLU B 2 169 . 12.759 -6.415 39.574 1 28.44 ? C GLU H 164 1 -ATOM 1586 O O . GLU B 2 169 . 12.546 -7.396 38.841 1 28.2 ? O GLU H 164 1 -ATOM 1587 C CB . GLU B 2 169 . 10.962 -5.782 41.277 1 33.8 ? CB GLU H 164 1 -ATOM 1588 C CG . GLU B 2 169 . 9.733 -5.043 41.776 1 39.68 ? CG GLU H 164 1 -ATOM 1589 C CD . GLU B 2 169 . 8.377 -5.524 41.334 1 46.44 ? CD GLU H 164 1 -ATOM 1590 O OE1 . GLU B 2 169 . 8.421 -6.272 40.304 1 48.54 ? OE1 GLU H 164 1 -ATOM 1591 O OE2 . GLU B 2 169 . 7.273 -5.122 41.765 1 49.9 ? OE2 GLU H 164 1 -ATOM 1592 N N . ARG B 2 170 . 13.966 -5.911 39.683 1 28.93 ? N ARG H 165 1 -ATOM 1593 C CA . ARG B 2 170 . 15.22 -6.561 39.278 1 30.53 ? CA ARG H 165 1 -ATOM 1594 C C . ARG B 2 170 . 15.31 -8.024 39.764 1 29.51 ? C ARG H 165 1 -ATOM 1595 O O . ARG B 2 170 . 15.742 -8.897 39.04 1 29.56 ? O ARG H 165 1 -ATOM 1596 C CB . ARG B 2 170 . 16.446 -5.861 39.828 1 37.06 ? CB ARG H 165 1 -ATOM 1597 C CG . ARG B 2 170 . 17.31 -4.772 39.254 1 42.49 ? CG ARG H 165 1 -ATOM 1598 C CD . ARG B 2 170 . 17.386 -4.85 37.771 1 48.15 ? CD ARG H 165 1 -ATOM 1599 N NE . ARG B 2 170 . 18.686 -4.624 37.131 1 47.9 ? NE ARG H 165 1 -ATOM 1600 C CZ . ARG B 2 170 . 18.953 -5.43 36.067 1 50 ? CZ ARG H 165 1 -ATOM 1601 N NH1 . ARG B 2 170 . 18.02 -6.356 35.733 1 50 ? NH1 ARG H 165 1 -ATOM 1602 N NH2 . ARG B 2 170 . 20.093 -5.285 35.385 1 49.29 ? NH2 ARG H 165 1 -ATOM 1603 N N . PRO B 2 171 . 15.192 -8.16 41.07 1 29 ? N PRO H 166 1 -ATOM 1604 C CA . PRO B 2 171 . 15.262 -9.421 41.776 1 28.85 ? CA PRO H 166 1 -ATOM 1605 C C . PRO B 2 171 . 14.295 -10.398 41.135 1 28.63 ? C PRO H 166 1 -ATOM 1606 O O . PRO B 2 171 . 14.761 -11.508 40.928 1 28.72 ? O PRO H 166 1 -ATOM 1607 C CB . PRO B 2 171 . 14.933 -9.118 43.216 1 29.15 ? CB PRO H 166 1 -ATOM 1608 C CG . PRO B 2 171 . 14.702 -7.612 43.302 1 29.23 ? CG PRO H 166 1 -ATOM 1609 C CD . PRO B 2 171 . 14.909 -7.005 41.935 1 29.25 ? CD PRO H 166 1 -ATOM 1610 N N . VAL B 2 172 . 13.091 -9.99 40.811 1 27.57 ? N VAL H 167 1 -ATOM 1611 C CA . VAL B 2 172 . 12.148 -10.857 40.084 1 28.15 ? CA VAL H 167 1 -ATOM 1612 C C . VAL B 2 172 . 12.804 -11.243 38.75 1 28.24 ? C VAL H 167 1 -ATOM 1613 O O . VAL B 2 172 . 12.796 -12.358 38.19 1 28.37 ? O VAL H 167 1 -ATOM 1614 C CB . VAL B 2 172 . 10.781 -10.156 39.935 1 28.09 ? CB VAL H 167 1 -ATOM 1615 C CG1 . VAL B 2 172 . 9.81 -10.839 38.969 1 26.3 ? CG1 VAL H 167 1 -ATOM 1616 C CG2 . VAL B 2 172 . 10.044 -9.933 41.248 1 27.42 ? CG2 VAL H 167 1 -ATOM 1617 N N . CYS B 2 173 . 13.463 -10.226 38.157 1 27.72 ? N CYS H 168 1 -ATOM 1618 C CA . CYS B 2 173 . 14.101 -10.386 36.832 1 25.68 ? CA CYS H 168 1 -ATOM 1619 C C . CYS B 2 173 . 15.06 -11.587 36.867 1 25.16 ? C CYS H 168 1 -ATOM 1620 O O . CYS B 2 173 . 14.931 -12.541 36.066 1 23.47 ? O CYS H 168 1 -ATOM 1621 C CB . CYS B 2 173 . 14.609 -9.091 36.22 1 25.25 ? CB CYS H 168 1 -ATOM 1622 S SG . CYS B 2 173 . 13.29 -7.83 35.835 1 23.97 ? SG CYS H 168 1 -ATOM 1623 N N . LYS B 2 174 . 16.094 -11.433 37.66 1 25.07 ? N LYS H 169 1 -ATOM 1624 C CA . LYS B 2 174 . 17.11 -12.417 37.962 1 25.9 ? CA LYS H 169 1 -ATOM 1625 C C . LYS B 2 174 . 16.591 -13.839 38.227 1 23.24 ? C LYS H 169 1 -ATOM 1626 O O . LYS B 2 174 . 17.059 -14.828 37.703 1 25.65 ? O LYS H 169 1 -ATOM 1627 C CB . LYS B 2 174 . 17.626 -11.99 39.361 1 29.38 ? CB LYS H 169 1 -ATOM 1628 C CG . LYS B 2 174 . 18.371 -10.678 39.403 1 34.18 ? CG LYS H 169 1 -ATOM 1629 C CD . LYS B 2 174 . 19.876 -10.977 39.256 1 38.6 ? CD LYS H 169 1 -ATOM 1630 C CE . LYS B 2 174 . 20.59 -9.654 39.552 1 42 ? CE LYS H 169 1 -ATOM 1631 N NZ . LYS B 2 174 . 19.581 -8.852 40.335 1 47.83 ? NZ LYS H 169 1 -ATOM 1632 N N . ASP B 2 175 . 15.661 -13.98 39.139 1 23.06 ? N ASP H 170 1 -ATOM 1633 C CA . ASP B 2 175 . 14.967 -15.133 39.684 1 21.42 ? CA ASP H 170 1 -ATOM 1634 C C . ASP B 2 175 . 14.206 -15.946 38.659 1 20.52 ? C ASP H 170 1 -ATOM 1635 O O . ASP B 2 175 . 13.723 -17.05 38.972 1 18.71 ? O ASP H 170 1 -ATOM 1636 C CB . ASP B 2 175 . 14.033 -14.713 40.831 1 19.28 ? CB ASP H 170 1 -ATOM 1637 C CG . ASP B 2 175 . 14.858 -14.76 42.125 1 21.03 ? CG ASP H 170 1 -ATOM 1638 O OD1 . ASP B 2 175 . 16.108 -14.956 41.998 1 20.54 ? OD1 ASP H 170 1 -ATOM 1639 O OD2 . ASP B 2 175 . 14.374 -14.562 43.24 1 20.64 ? OD2 ASP H 170 1 -ATOM 1640 N N . SER B 2 176 . 14.176 -15.362 37.484 1 20.78 ? N SER H 171 1 -ATOM 1641 C CA . SER B 2 176 . 13.346 -15.861 36.364 1 21.59 ? CA SER H 171 1 -ATOM 1642 C C . SER B 2 176 . 14.19 -16.477 35.281 1 21.23 ? C SER H 171 1 -ATOM 1643 O O . SER B 2 176 . 13.656 -16.86 34.249 1 23.76 ? O SER H 171 1 -ATOM 1644 C CB . SER B 2 176 . 12.446 -14.754 35.781 1 24.21 ? CB SER H 171 1 -ATOM 1645 O OG . SER B 2 176 . 12.976 -13.814 34.866 1 19.43 ? OG SER H 171 1 -ATOM 1646 N N . THR B 2 177 . 15.481 -16.393 35.353 1 20.28 ? N THR H 172 1 -ATOM 1647 C CA . THR B 2 177 . 16.343 -16.981 34.309 1 18.73 ? CA THR H 172 1 -ATOM 1648 C C . THR B 2 177 . 17.618 -17.48 35.03 1 19.01 ? C THR H 172 1 -ATOM 1649 O O . THR B 2 177 . 18.012 -16.942 36.153 1 18.06 ? O THR H 172 1 -ATOM 1650 C CB . THR B 2 177 . 16.623 -15.729 33.375 1 17.78 ? CB THR H 172 1 -ATOM 1651 O OG1 . THR B 2 177 . 17.657 -16.063 32.397 1 22 ? OG1 THR H 172 1 -ATOM 1652 C CG2 . THR B 2 177 . 17.11 -14.473 34.155 1 14.19 ? CG2 THR H 172 1 -ATOM 1653 N N . ARG B 2 178 . 18.446 -18.061 34.194 1 19.21 ? N ARG H 173 1 -ATOM 1654 C CA . ARG B 2 178 . 19.734 -18.595 34.533 1 22.2 ? CA ARG H 173 1 -ATOM 1655 C C . ARG B 2 178 . 20.835 -17.787 33.817 1 21.85 ? C ARG H 173 1 -ATOM 1656 O O . ARG B 2 178 . 22.012 -18.133 34.03 1 20.48 ? O ARG H 173 1 -ATOM 1657 C CB . ARG B 2 178 . 20.087 -20.045 34.188 1 30.68 ? CB ARG H 173 1 -ATOM 1658 C CG . ARG B 2 178 . 19.034 -21.134 34.344 1 36.37 ? CG ARG H 173 1 -ATOM 1659 C CD . ARG B 2 178 . 19.327 -22.297 33.45 1 40.13 ? CD ARG H 173 1 -ATOM 1660 N NE . ARG B 2 178 . 20.522 -23.128 33.782 1 44.45 ? NE ARG H 173 1 -ATOM 1661 C CZ . ARG B 2 178 . 20.419 -24.433 33.38 1 45.78 ? CZ ARG H 173 1 -ATOM 1662 N NH1 . ARG B 2 178 . 19.2 -24.854 32.954 1 45.46 ? NH1 ARG H 173 1 -ATOM 1663 N NH2 . ARG B 2 178 . 21.38 -25.341 33.449 1 44.03 ? NH2 ARG H 173 1 -ATOM 1664 N N . ILE B 2 179 . 20.366 -16.846 33.016 1 21.86 ? N ILE H 174 1 -ATOM 1665 C CA . ILE B 2 179 . 21.331 -15.935 32.317 1 21.1 ? CA ILE H 174 1 -ATOM 1666 C C . ILE B 2 179 . 21.766 -14.864 33.339 1 21.01 ? C ILE H 174 1 -ATOM 1667 O O . ILE B 2 179 . 21.011 -14.467 34.257 1 17.88 ? O ILE H 174 1 -ATOM 1668 C CB . ILE B 2 179 . 20.632 -15.24 31.094 1 21.69 ? CB ILE H 174 1 -ATOM 1669 C CG1 . ILE B 2 179 . 20.054 -16.323 30.135 1 22.43 ? CG1 ILE H 174 1 -ATOM 1670 C CG2 . ILE B 2 179 . 21.557 -14.255 30.339 1 21.66 ? CG2 ILE H 174 1 -ATOM 1671 C CD1 . ILE B 2 179 . 21.212 -16.882 29.249 1 20.63 ? CD1 ILE H 174 1 -ATOM 1672 N N . ARG B 2 180 . 23.068 -14.547 33.258 1 22.94 ? N ARG H 175 1 -ATOM 1673 C CA . ARG B 2 180 . 23.458 -13.435 34.206 1 23.3 ? CA ARG H 175 1 -ATOM 1674 C C . ARG B 2 180 . 23.117 -12.063 33.583 1 23.78 ? C ARG H 175 1 -ATOM 1675 O O . ARG B 2 180 . 23.608 -11.523 32.539 1 24.53 ? O ARG H 175 1 -ATOM 1676 C CB . ARG B 2 180 . 24.89 -13.648 34.612 1 24.17 ? CB ARG H 175 1 -ATOM 1677 C CG . ARG B 2 180 . 25.597 -12.407 35.193 1 27.06 ? CG ARG H 175 1 -ATOM 1678 C CD . ARG B 2 180 . 27.074 -12.509 35.309 1 29.27 ? CD ARG H 175 1 -ATOM 1679 N NE . ARG B 2 180 . 27.782 -12.43 34.04 1 29.36 ? NE ARG H 175 1 -ATOM 1680 C CZ . ARG B 2 180 . 28.16 -11.301 33.415 1 29.95 ? CZ ARG H 175 1 -ATOM 1681 N NH1 . ARG B 2 180 . 27.874 -10.121 33.958 1 28.52 ? NH1 ARG H 175 1 -ATOM 1682 N NH2 . ARG B 2 180 . 28.821 -11.368 32.261 1 28.14 ? NH2 ARG H 175 1 -ATOM 1683 N N . ILE B 2 181 . 22.254 -11.351 34.243 1 24.45 ? N ILE H 176 1 -ATOM 1684 C CA . ILE B 2 181 . 21.601 -10.033 34.073 1 24.79 ? CA ILE H 176 1 -ATOM 1685 C C . ILE B 2 181 . 22.581 -8.961 34.564 1 25.93 ? C ILE H 176 1 -ATOM 1686 O O . ILE B 2 181 . 23.231 -9.054 35.635 1 24.99 ? O ILE H 176 1 -ATOM 1687 C CB . ILE B 2 181 . 20.272 -10.223 34.892 1 25.34 ? CB ILE H 176 1 -ATOM 1688 C CG1 . ILE B 2 181 . 19.236 -11.098 34.133 1 24.73 ? CG1 ILE H 176 1 -ATOM 1689 C CG2 . ILE B 2 181 . 19.438 -9.095 35.524 1 25.76 ? CG2 ILE H 176 1 -ATOM 1690 C CD1 . ILE B 2 181 . 19.303 -11.179 32.62 1 24.41 ? CD1 ILE H 176 1 -ATOM 1691 N N . THR B 2 182 . 22.861 -7.937 33.777 1 26.69 ? N THR H 177 1 -ATOM 1692 C CA . THR B 2 182 . 23.738 -6.804 34.167 1 25.94 ? CA THR H 177 1 -ATOM 1693 C C . THR B 2 182 . 22.889 -5.551 34.291 1 27.48 ? C THR H 177 1 -ATOM 1694 O O . THR B 2 182 . 21.747 -5.559 33.784 1 29.73 ? O THR H 177 1 -ATOM 1695 C CB . THR B 2 182 . 24.771 -6.657 33.024 1 24.25 ? CB THR H 177 1 -ATOM 1696 O OG1 . THR B 2 182 . 23.937 -6.019 31.97 1 26.98 ? OG1 THR H 177 1 -ATOM 1697 C CG2 . THR B 2 182 . 25.47 -7.894 32.486 1 23.52 ? CG2 THR H 177 1 -ATOM 1698 N N . ASP B 2 183 . 23.302 -4.481 34.916 1 27.5 ? N ASP H 178 1 -ATOM 1699 C CA . ASP B 2 183 . 22.742 -3.151 35.1 1 26.08 ? CA ASP H 178 1 -ATOM 1700 C C . ASP B 2 183 . 22.316 -2.487 33.783 1 25.14 ? C ASP H 178 1 -ATOM 1701 O O . ASP B 2 183 . 21.292 -1.817 33.817 1 25.69 ? O ASP H 178 1 -ATOM 1702 C CB . ASP B 2 183 . 23.773 -2.206 35.766 1 29.93 ? CB ASP H 178 1 -ATOM 1703 C CG . ASP B 2 183 . 23.718 -2.56 37.279 1 29.4 ? CG ASP H 178 1 -ATOM 1704 O OD1 . ASP B 2 183 . 22.746 -3.202 37.692 1 29.59 ? OD1 ASP H 178 1 -ATOM 1705 O OD2 . ASP B 2 183 . 24.716 -2.247 37.912 1 30.76 ? OD2 ASP H 178 1 -ATOM 1706 N N . ASN B 2 184 . 22.924 -2.893 32.688 1 23.4 ? N ASN H 179 1 -ATOM 1707 C CA . ASN B 2 184 . 22.475 -2.451 31.369 1 20.59 ? CA ASN H 179 1 -ATOM 1708 C C . ASN B 2 184 . 21.189 -3.137 30.945 1 18.68 ? C ASN H 179 1 -ATOM 1709 O O . ASN B 2 184 . 21.028 -3.095 29.676 1 18.06 ? O ASN H 179 1 -ATOM 1710 C CB . ASN B 2 184 . 23.55 -2.748 30.311 1 16.95 ? CB ASN H 179 1 -ATOM 1711 C CG . ASN B 2 184 . 24.888 -2.311 30.767 1 20.45 ? CG ASN H 179 1 -ATOM 1712 O OD1 . ASN B 2 184 . 24.829 -1.19 31.316 1 18.34 ? OD1 ASN H 179 1 -ATOM 1713 N ND2 . ASN B 2 184 . 26.056 -2.98 30.612 1 19.8 ? ND2 ASN H 179 1 -ATOM 1714 N N . MET B 2 185 . 20.477 -3.859 31.807 1 17.4 ? N MET H 180 1 -ATOM 1715 C CA . MET B 2 185 . 19.265 -4.536 31.291 1 16.35 ? CA MET H 180 1 -ATOM 1716 C C . MET B 2 185 . 18.111 -4.276 32.244 1 16.56 ? C MET H 180 1 -ATOM 1717 O O . MET B 2 185 . 18.339 -3.887 33.375 1 17.77 ? O MET H 180 1 -ATOM 1718 C CB . MET B 2 185 . 19.306 -6.096 31.179 1 18.04 ? CB MET H 180 1 -ATOM 1719 C CG . MET B 2 185 . 20.231 -6.681 30.184 1 14.79 ? CG MET H 180 1 -ATOM 1720 S SD . MET B 2 185 . 20.826 -8.358 30.704 1 17.01 ? SD MET H 180 1 -ATOM 1721 C CE . MET B 2 185 . 22.236 -8.593 29.706 1 10.03 ? CE MET H 180 1 -ATOM 1722 N N . PHE B 2 186 . 16.921 -4.396 31.687 1 16.11 ? N PHE H 181 1 -ATOM 1723 C CA . PHE B 2 186 . 15.736 -4.332 32.578 1 15.37 ? CA PHE H 181 1 -ATOM 1724 C C . PHE B 2 186 . 14.771 -5.356 31.91 1 15.25 ? C PHE H 181 1 -ATOM 1725 O O . PHE B 2 186 . 15.132 -5.731 30.782 1 16.45 ? O PHE H 181 1 -ATOM 1726 C CB . PHE B 2 186 . 15.272 -2.913 32.839 1 15.07 ? CB PHE H 181 1 -ATOM 1727 C CG . PHE B 2 186 . 14.548 -2.275 31.661 1 15.53 ? CG PHE H 181 1 -ATOM 1728 C CD1 . PHE B 2 186 . 13.162 -2.415 31.534 1 15.6 ? CD1 PHE H 181 1 -ATOM 1729 C CD2 . PHE B 2 186 . 15.275 -1.547 30.717 1 15.94 ? CD2 PHE H 181 1 -ATOM 1730 C CE1 . PHE B 2 186 . 12.499 -1.828 30.453 1 15.24 ? CE1 PHE H 181 1 -ATOM 1731 C CE2 . PHE B 2 186 . 14.613 -0.957 29.636 1 13.83 ? CE2 PHE H 181 1 -ATOM 1732 C CZ . PHE B 2 186 . 13.225 -1.098 29.503 1 15.3 ? CZ PHE H 181 1 -ATOM 1733 N N . CYS B 2 187 . 13.808 -5.891 32.599 1 13.89 ? N CYS H 182 1 -ATOM 1734 C CA . CYS B 2 187 . 12.852 -6.877 32.175 1 15.29 ? CA CYS H 182 1 -ATOM 1735 C C . CYS B 2 187 . 11.5 -6.21 32.478 1 14.68 ? C CYS H 182 1 -ATOM 1736 O O . CYS B 2 187 . 11.367 -5.36 33.379 1 12.62 ? O CYS H 182 1 -ATOM 1737 C CB . CYS B 2 187 . 13.042 -8.259 32.859 1 19.36 ? CB CYS H 182 1 -ATOM 1738 S SG . CYS B 2 187 . 12.141 -8.577 34.389 1 22.42 ? SG CYS H 182 1 -ATOM 1739 N N . ALA B 2 188 . 10.603 -6.638 31.656 1 16.32 ? N ALA H 183 1 -ATOM 1740 C CA . ALA B 2 188 . 9.201 -6.192 31.655 1 18.16 ? CA ALA H 183 1 -ATOM 1741 C C . ALA B 2 188 . 8.291 -7.335 31.161 1 18.8 ? C ALA H 183 1 -ATOM 1742 O O . ALA B 2 188 . 8.675 -8.062 30.216 1 19.73 ? O ALA H 183 1 -ATOM 1743 C CB . ALA B 2 188 . 9.141 -5.053 30.608 1 24.37 ? CB ALA H 183 1 -ATOM 1744 N N . GLY B 2 189 . 7.098 -7.327 31.726 1 18.36 ? N GLY H 184 1 -ATOM 1745 C CA . GLY B 2 189 . 5.959 -8.179 31.556 1 19.5 ? CA GLY H 184 1 -ATOM 1746 C C . GLY B 2 189 . 5.069 -8.272 32.77 1 19.2 ? C GLY H 184 1 -ATOM 1747 O O . GLY B 2 189 . 5.36 -7.833 33.884 1 18.23 ? O GLY H 184 1 -ATOM 1748 N N . TYR B 2 190 A 3.92 -8.908 32.562 1 22.5 ? N TYR H 184 1 -ATOM 1749 C CA . TYR B 2 190 A 2.973 -9.145 33.695 1 25.25 ? CA TYR H 184 1 -ATOM 1750 C C . TYR B 2 190 A 3.318 -10.42 34.47 1 26.86 ? C TYR H 184 1 -ATOM 1751 O O . TYR B 2 190 A 4.015 -11.299 33.956 1 26.39 ? O TYR H 184 1 -ATOM 1752 C CB . TYR B 2 190 A 1.56 -9.257 33.103 1 26.24 ? CB TYR H 184 1 -ATOM 1753 C CG . TYR B 2 190 A 1.034 -7.962 32.481 1 27.03 ? CG TYR H 184 1 -ATOM 1754 C CD1 . TYR B 2 190 A 0.472 -6.973 33.295 1 29.44 ? CD1 TYR H 184 1 -ATOM 1755 C CD2 . TYR B 2 190 A 1.107 -7.769 31.097 1 29.04 ? CD2 TYR H 184 1 -ATOM 1756 C CE1 . TYR B 2 190 A -0.029 -5.797 32.724 1 29.73 ? CE1 TYR H 184 1 -ATOM 1757 C CE2 . TYR B 2 190 A 0.607 -6.591 30.526 1 29.45 ? CE2 TYR H 184 1 -ATOM 1758 C CZ . TYR B 2 190 A 0.036 -5.607 31.341 1 28.18 ? CZ TYR H 184 1 -ATOM 1759 O OH . TYR B 2 190 A -0.462 -4.468 30.787 1 29.15 ? OH TYR H 184 1 -ATOM 1760 N N . LYS B 2 191 . 2.996 -10.568 35.727 1 30.54 ? N LYS H 185 1 -ATOM 1761 C CA . LYS B 2 191 . 3.155 -11.747 36.598 1 33.87 ? CA LYS H 185 1 -ATOM 1762 C C . LYS B 2 191 . 1.902 -12.591 36.414 1 37.4 ? C LYS H 185 1 -ATOM 1763 O O . LYS B 2 191 . 0.8 -12.073 36.154 1 38.49 ? O LYS H 185 1 -ATOM 1764 C CB . LYS B 2 191 . 3.296 -11.376 38.054 1 31.91 ? CB LYS H 185 1 -ATOM 1765 C CG . LYS B 2 191 . 4.134 -10.14 38.142 1 33.65 ? CG LYS H 185 1 -ATOM 1766 C CD . LYS B 2 191 . 5.543 -10.22 38.611 1 36.7 ? CD LYS H 185 1 -ATOM 1767 C CE . LYS B 2 191 . 5.994 -8.8 39.011 1 40.36 ? CE LYS H 185 1 -ATOM 1768 N NZ . LYS B 2 191 . 5.292 -8.339 40.252 1 40.46 ? NZ LYS H 185 1 -ATOM 1769 N N . PRO B 2 192 . 2.078 -13.911 36.461 1 41.05 ? N PRO H 186 1 -ATOM 1770 C CA . PRO B 2 192 . 0.992 -14.849 36.082 1 41.39 ? CA PRO H 186 1 -ATOM 1771 C C . PRO B 2 192 . -0.107 -14.614 37.086 1 41.63 ? C PRO H 186 1 -ATOM 1772 O O . PRO B 2 192 . -1.251 -14.895 36.732 1 42.54 ? O PRO H 186 1 -ATOM 1773 C CB . PRO B 2 192 . 1.592 -16.232 36.039 1 42.03 ? CB PRO H 186 1 -ATOM 1774 C CG . PRO B 2 192 . 3.049 -16.077 36.488 1 42.39 ? CG PRO H 186 1 -ATOM 1775 C CD . PRO B 2 192 . 3.318 -14.625 36.833 1 42.26 ? CD PRO H 186 1 -ATOM 1776 N N . ASP B 2 193 A 0.358 -14.037 38.194 1 42.66 ? N ASP H 186 1 -ATOM 1777 C CA . ASP B 2 193 A -0.733 -13.835 39.18 1 45.62 ? CA ASP H 186 1 -ATOM 1778 C C . ASP B 2 193 A -1.599 -12.773 38.51 1 45.94 ? C ASP H 186 1 -ATOM 1779 O O . ASP B 2 193 A -2.78 -13.089 38.423 1 47.23 ? O ASP H 186 1 -ATOM 1780 C CB . ASP B 2 193 A -0.337 -13.629 40.613 1 50 ? CB ASP H 186 1 -ATOM 1781 C CG . ASP B 2 193 A 0.974 -12.954 40.923 1 50 ? CG ASP H 186 1 -ATOM 1782 O OD1 . ASP B 2 193 A 2.067 -13.316 40.391 1 50 ? OD1 ASP H 186 1 -ATOM 1783 O OD2 . ASP B 2 193 A 0.927 -12.079 41.84 1 50 ? OD2 ASP H 186 1 -ATOM 1784 N N . GLU B 2 194 B -0.991 -11.767 37.912 1 46.23 ? N GLU H 186 1 -ATOM 1785 C CA . GLU B 2 194 B -1.746 -10.645 37.322 1 45.21 ? CA GLU H 186 1 -ATOM 1786 C C . GLU B 2 194 B -2.692 -10.987 36.177 1 44.42 ? C GLU H 186 1 -ATOM 1787 O O . GLU B 2 194 B -3.689 -10.225 35.933 1 44.71 ? O GLU H 186 1 -ATOM 1788 C CB . GLU B 2 194 B -0.808 -9.498 36.936 1 45.58 ? CB GLU H 186 1 -ATOM 1789 C CG . GLU B 2 194 B 0.129 -8.937 38.01 1 45.7 ? CG GLU H 186 1 -ATOM 1790 C CD . GLU B 2 194 B 1.258 -8.116 37.485 1 46.8 ? CD GLU H 186 1 -ATOM 1791 O OE1 . GLU B 2 194 B 1.303 -8.37 36.255 1 49.13 ? OE1 GLU H 186 1 -ATOM 1792 O OE2 . GLU B 2 194 B 2.054 -7.362 38.029 1 47.34 ? OE2 GLU H 186 1 -ATOM 1793 N N . GLY B 2 195 C -2.491 -11.886 35.289 1 42.33 ? N GLY H 186 1 -ATOM 1794 C CA . GLY B 2 195 C -3.694 -12.318 34.555 1 40.48 ? CA GLY H 186 1 -ATOM 1795 C C . GLY B 2 195 C -3.952 -11.384 33.362 1 39.47 ? C GLY H 186 1 -ATOM 1796 O O . GLY B 2 195 C -5.105 -11.159 32.98 1 40.85 ? O GLY H 186 1 -ATOM 1797 N N . LYS B 2 196 D -2.841 -10.897 32.854 1 37.13 ? N LYS H 186 1 -ATOM 1798 C CA . LYS B 2 196 D -2.735 -9.984 31.691 1 32.32 ? CA LYS H 186 1 -ATOM 1799 C C . LYS B 2 196 D -1.447 -10.4 30.962 1 30.88 ? C LYS H 186 1 -ATOM 1800 O O . LYS B 2 196 D -0.449 -10.754 31.576 1 29.94 ? O LYS H 186 1 -ATOM 1801 C CB . LYS B 2 196 D -2.624 -8.523 32.203 1 33.2 ? CB LYS H 186 1 -ATOM 1802 C CG . LYS B 2 196 D -3.853 -7.652 31.905 1 33.09 ? CG LYS H 186 1 -ATOM 1803 C CD . LYS B 2 196 D -3.626 -6.686 30.735 1 35.78 ? CD LYS H 186 1 -ATOM 1804 C CE . LYS B 2 196 D -4.557 -5.468 30.756 1 39.84 ? CE LYS H 186 1 -ATOM 1805 N NZ . LYS B 2 196 D -5.288 -5.317 32.021 1 43.09 ? NZ LYS H 186 1 -ATOM 1806 N N . ARG B 2 197 . -1.388 -10.394 29.644 1 27.13 ? N ARG H 187 1 -ATOM 1807 C CA . ARG B 2 197 . -0.101 -10.802 29.001 1 25.9 ? CA ARG H 187 1 -ATOM 1808 C C . ARG B 2 197 . 0.325 -9.886 27.864 1 24.07 ? C ARG H 187 1 -ATOM 1809 O O . ARG B 2 197 . -0.272 -8.847 27.614 1 24.32 ? O ARG H 187 1 -ATOM 1810 C CB . ARG B 2 197 . -0.135 -12.204 28.395 1 28.23 ? CB ARG H 187 1 -ATOM 1811 C CG . ARG B 2 197 . -1.483 -12.888 28.398 1 26.79 ? CG ARG H 187 1 -ATOM 1812 C CD . ARG B 2 197 . -1.343 -14.371 28.059 1 28.12 ? CD ARG H 187 1 -ATOM 1813 N NE . ARG B 2 197 . -1.029 -15.164 29.243 1 31.57 ? NE ARG H 187 1 -ATOM 1814 C CZ . ARG B 2 197 . 0.054 -15.938 29.404 1 30.26 ? CZ ARG H 187 1 -ATOM 1815 N NH1 . ARG B 2 197 . 0.986 -16.069 28.441 1 29.7 ? NH1 ARG H 187 1 -ATOM 1816 N NH2 . ARG B 2 197 . 0.296 -16.625 30.52 1 22.16 ? NH2 ARG H 187 1 -ATOM 1817 N N . GLY B 2 198 . 1.282 -10.574 27.101 1 20.36 ? N GLY H 188 1 -ATOM 1818 C CA . GLY B 2 198 . 1.804 -9.739 25.988 1 18.16 ? CA GLY H 188 1 -ATOM 1819 C C . GLY B 2 198 . 3.338 -9.81 26.271 1 16.44 ? C GLY H 188 1 -ATOM 1820 O O . GLY B 2 198 . 3.71 -9.79 27.452 1 16.83 ? O GLY H 188 1 -ATOM 1821 N N . ASP B 2 199 . 4.109 -9.678 25.257 1 13.8 ? N ASP H 189 1 -ATOM 1822 C CA . ASP B 2 199 . 5.541 -9.754 25.236 1 16.44 ? CA ASP H 189 1 -ATOM 1823 C C . ASP B 2 199 . 5.875 -9.47 23.779 1 16.74 ? C ASP H 189 1 -ATOM 1824 O O . ASP B 2 199 . 4.964 -9.409 22.928 1 16.36 ? O ASP H 189 1 -ATOM 1825 C CB . ASP B 2 199 . 5.881 -11.219 25.725 1 17.38 ? CB ASP H 189 1 -ATOM 1826 C CG . ASP B 2 199 . 7.331 -11.427 26.009 1 26.38 ? CG ASP H 189 1 -ATOM 1827 O OD1 . ASP B 2 199 . 8.148 -10.437 26.05 1 25.37 ? OD1 ASP H 189 1 -ATOM 1828 O OD2 . ASP B 2 199 . 7.777 -12.588 26.338 1 27.58 ? OD2 ASP H 189 1 -ATOM 1829 N N . ALA B 2 200 . 7.087 -9.081 23.521 1 18.17 ? N ALA H 190 1 -ATOM 1830 C CA . ALA B 2 200 . 7.728 -8.899 22.241 1 20.7 ? CA ALA H 190 1 -ATOM 1831 C C . ALA B 2 200 . 7.963 -10.346 21.76 1 22.45 ? C ALA H 190 1 -ATOM 1832 O O . ALA B 2 200 . 7.666 -11.272 22.536 1 23.58 ? O ALA H 190 1 -ATOM 1833 C CB . ALA B 2 200 . 9.111 -8.267 22.489 1 22.99 ? CB ALA H 190 1 -ATOM 1834 N N . CYS B 2 201 . 8.646 -10.628 20.679 1 23.35 ? N CYS H 191 1 -ATOM 1835 C CA . CYS B 2 201 . 8.885 -12.044 20.307 1 24.53 ? CA CYS H 191 1 -ATOM 1836 C C . CYS B 2 201 . 9.94 -11.838 19.224 1 25.74 ? C CYS H 191 1 -ATOM 1837 O O . CYS B 2 201 . 10.275 -10.689 18.867 1 25.72 ? O CYS H 191 1 -ATOM 1838 C CB . CYS B 2 201 . 7.561 -12.733 19.903 1 27.09 ? CB CYS H 191 1 -ATOM 1839 S SG . CYS B 2 201 . 7.482 -14.595 19.816 1 28.77 ? SG CYS H 191 1 -ATOM 1840 N N . GLU B 2 202 . 10.541 -12.901 18.777 1 26.07 ? N GLU H 192 1 -ATOM 1841 C CA . GLU B 2 202 . 11.435 -12.898 17.646 1 25.54 ? CA GLU H 192 1 -ATOM 1842 C C . GLU B 2 202 . 10.805 -11.913 16.665 1 24.52 ? C GLU H 192 1 -ATOM 1843 O O . GLU B 2 202 . 9.59 -12.032 16.476 1 23.64 ? O GLU H 192 1 -ATOM 1844 C CB . GLU B 2 202 . 11.093 -14.228 16.958 1 29.16 ? CB GLU H 192 1 -ATOM 1845 C CG . GLU B 2 202 . 12.187 -15.144 16.544 1 37.29 ? CG GLU H 192 1 -ATOM 1846 C CD . GLU B 2 202 . 12.08 -15.623 15.123 1 41.65 ? CD GLU H 192 1 -ATOM 1847 O OE1 . GLU B 2 202 . 11.806 -14.631 14.388 1 43.98 ? OE1 GLU H 192 1 -ATOM 1848 O OE2 . GLU B 2 202 . 12.285 -16.792 14.776 1 45.51 ? OE2 GLU H 192 1 -ATOM 1849 N N . GLY B 2 203 . 11.619 -11.34 15.823 1 24.56 ? N GLY H 193 1 -ATOM 1850 C CA . GLY B 2 203 . 11.347 -10.419 14.737 1 22.54 ? CA GLY H 193 1 -ATOM 1851 C C . GLY B 2 203 . 11.159 -9.009 15.207 1 22.74 ? C GLY H 193 1 -ATOM 1852 O O . GLY B 2 203 . 11.307 -8.08 14.366 1 24.17 ? O GLY H 193 1 -ATOM 1853 N N . ASP B 2 204 . 10.755 -8.894 16.454 1 22.39 ? N ASP H 194 1 -ATOM 1854 C CA . ASP B 2 204 . 10.498 -7.697 17.242 1 21.42 ? CA ASP H 194 1 -ATOM 1855 C C . ASP B 2 204 . 11.78 -7.03 17.708 1 21.37 ? C ASP H 194 1 -ATOM 1856 O O . ASP B 2 204 . 11.78 -5.835 18.055 1 21.84 ? O ASP H 194 1 -ATOM 1857 C CB . ASP B 2 204 . 9.705 -8.055 18.486 1 21.86 ? CB ASP H 194 1 -ATOM 1858 C CG . ASP B 2 204 . 8.228 -8.095 18.242 1 23.76 ? CG ASP H 194 1 -ATOM 1859 O OD1 . ASP B 2 204 . 8.005 -7.443 17.217 1 23.63 ? OD1 ASP H 194 1 -ATOM 1860 O OD2 . ASP B 2 204 . 7.345 -8.498 19.018 1 29.35 ? OD2 ASP H 194 1 -ATOM 1861 N N . SER B 2 205 . 12.826 -7.777 17.962 1 20.5 ? N SER H 195 1 -ATOM 1862 C CA . SER B 2 205 . 14.097 -7.194 18.459 1 18.71 ? CA SER H 195 1 -ATOM 1863 C C . SER B 2 205 . 14.502 -5.871 17.787 1 17.38 ? C SER H 195 1 -ATOM 1864 O O . SER B 2 205 . 14.344 -5.74 16.603 1 13.53 ? O SER H 195 1 -ATOM 1865 C CB . SER B 2 205 . 15.115 -8.286 18.174 1 20.15 ? CB SER H 195 1 -ATOM 1866 O OG . SER B 2 205 . 15.946 -8.583 19.277 1 28.11 ? OG SER H 195 1 -ATOM 1867 N N . GLY B 2 206 . 15.166 -4.932 18.48 1 16.89 ? N GLY H 196 1 -ATOM 1868 C CA . GLY B 2 206 . 15.711 -3.667 17.986 1 17.23 ? CA GLY H 196 1 -ATOM 1869 C C . GLY B 2 206 . 14.661 -2.568 18.097 1 18 ? C GLY H 196 1 -ATOM 1870 O O . GLY B 2 206 . 14.885 -1.361 18.34 1 18.77 ? O GLY H 196 1 -ATOM 1871 N N . GLY B 2 207 . 13.431 -2.993 18.45 1 18.02 ? N GLY H 197 1 -ATOM 1872 C CA . GLY B 2 207 . 12.338 -2.023 18.431 1 17.97 ? CA GLY H 197 1 -ATOM 1873 C C . GLY B 2 207 . 12.514 -1.193 19.674 1 19.13 ? C GLY H 197 1 -ATOM 1874 O O . GLY B 2 207 . 13.11 -1.659 20.647 1 20.77 ? O GLY H 197 1 -ATOM 1875 N N . PRO B 2 208 . 11.63 -0.195 19.776 1 19.19 ? N PRO H 198 1 -ATOM 1876 C CA . PRO B 2 208 . 11.627 0.654 20.975 1 17.8 ? CA PRO H 198 1 -ATOM 1877 C C . PRO B 2 208 . 10.651 0.187 22.042 1 16.14 ? C PRO H 198 1 -ATOM 1878 O O . PRO B 2 208 . 9.549 -0.325 21.683 1 17.37 ? O PRO H 198 1 -ATOM 1879 C CB . PRO B 2 208 . 10.979 2.005 20.497 1 18.22 ? CB PRO H 198 1 -ATOM 1880 C CG . PRO B 2 208 . 10.619 1.812 19.02 1 19.65 ? CG PRO H 198 1 -ATOM 1881 C CD . PRO B 2 208 . 11.033 0.423 18.574 1 18.9 ? CD PRO H 198 1 -ATOM 1882 N N . PHE B 2 209 . 11.079 0.392 23.276 1 14.42 ? N PHE H 199 1 -ATOM 1883 C CA . PHE B 2 209 . 10.249 0.266 24.506 1 12.98 ? CA PHE H 199 1 -ATOM 1884 C C . PHE B 2 209 . 10.166 1.784 24.953 1 13.76 ? C PHE H 199 1 -ATOM 1885 O O . PHE B 2 209 . 11.155 2.48 25.177 1 11.12 ? O PHE H 199 1 -ATOM 1886 C CB . PHE B 2 209 . 10.953 -0.634 25.501 1 11.9 ? CB PHE H 199 1 -ATOM 1887 C CG . PHE B 2 209 . 10.219 -0.643 26.815 1 10.39 ? CG PHE H 199 1 -ATOM 1888 C CD1 . PHE B 2 209 . 10.346 0.45 27.668 1 10.53 ? CD1 PHE H 199 1 -ATOM 1889 C CD2 . PHE B 2 209 . 9.41 -1.728 27.142 1 11.57 ? CD2 PHE H 199 1 -ATOM 1890 C CE1 . PHE B 2 209 . 9.639 0.463 28.872 1 10 ? CE1 PHE H 199 1 -ATOM 1891 C CE2 . PHE B 2 209 . 8.707 -1.721 28.345 1 10 ? CE2 PHE H 199 1 -ATOM 1892 C CZ . PHE B 2 209 . 8.819 -0.623 29.21 1 11.61 ? CZ PHE H 199 1 -ATOM 1893 N N . VAL B 2 210 . 9.047 2.429 25.127 1 15.21 ? N VAL H 200 1 -ATOM 1894 C CA . VAL B 2 210 . 8.887 3.858 25.349 1 16.32 ? CA VAL H 200 1 -ATOM 1895 C C . VAL B 2 210 . 7.789 4.114 26.365 1 16.85 ? C VAL H 200 1 -ATOM 1896 O O . VAL B 2 210 . 6.891 3.394 26.74 1 15.07 ? O VAL H 200 1 -ATOM 1897 C CB . VAL B 2 210 . 8.619 4.628 24.032 1 17.58 ? CB VAL H 200 1 -ATOM 1898 C CG1 . VAL B 2 210 . 9.405 4.331 22.741 1 16.57 ? CG1 VAL H 200 1 -ATOM 1899 C CG2 . VAL B 2 210 . 7.17 4.36 23.598 1 20.59 ? CG2 VAL H 200 1 -ATOM 1900 N N . MET B 2 211 . 8.027 5.283 26.979 1 17.38 ? N MET H 201 1 -ATOM 1901 C CA . MET B 2 211 . 7.124 5.826 28.008 1 16.94 ? CA MET H 201 1 -ATOM 1902 C C . MET B 2 211 . 6.832 7.282 27.585 1 16.42 ? C MET H 201 1 -ATOM 1903 O O . MET B 2 211 . 7.79 7.952 27.093 1 14.89 ? O MET H 201 1 -ATOM 1904 C CB . MET B 2 211 . 7.917 5.783 29.361 1 16.05 ? CB MET H 201 1 -ATOM 1905 C CG . MET B 2 211 . 7.673 4.364 29.82 1 20.72 ? CG MET H 201 1 -ATOM 1906 S SD . MET B 2 211 . 8.736 3.965 31.242 1 19.94 ? SD MET H 201 1 -ATOM 1907 C CE . MET B 2 211 . 10.244 3.874 30.262 1 17.73 ? CE MET H 201 1 -ATOM 1908 N N . LYS B 2 212 . 5.675 7.693 28.057 1 17.51 ? N LYS H 202 1 -ATOM 1909 C CA . LYS B 2 212 . 5.21 9.091 27.831 1 18.74 ? CA LYS H 202 1 -ATOM 1910 C C . LYS B 2 212 . 5.455 9.914 29.098 1 17.6 ? C LYS H 202 1 -ATOM 1911 O O . LYS B 2 212 . 4.864 9.491 30.126 1 17.58 ? O LYS H 202 1 -ATOM 1912 C CB . LYS B 2 212 . 3.689 9.163 27.586 1 18.78 ? CB LYS H 202 1 -ATOM 1913 C CG . LYS B 2 212 . 3.181 10.58 27.184 1 19.03 ? CG LYS H 202 1 -ATOM 1914 C CD . LYS B 2 212 . 2.12 10.576 26.129 1 21.59 ? CD LYS H 202 1 -ATOM 1915 C CE . LYS B 2 212 . 1.625 11.906 25.623 1 24.48 ? CE LYS H 202 1 -ATOM 1916 N NZ . LYS B 2 212 . 0.29 12.257 26.149 1 24.23 ? NZ LYS H 202 1 -ATOM 1917 N N . SER B 2 213 . 6.233 10.956 29.037 1 17.4 ? N SER H 203 1 -ATOM 1918 C CA . SER B 2 213 . 6.352 11.768 30.269 1 14.55 ? CA SER H 203 1 -ATOM 1919 C C . SER B 2 213 . 5.08 12.47 30.633 1 14.91 ? C SER H 203 1 -ATOM 1920 O O . SER B 2 213 . 4.444 13.252 29.854 1 13.98 ? O SER H 203 1 -ATOM 1921 C CB . SER B 2 213 . 7.366 12.929 30.151 1 17.74 ? CB SER H 203 1 -ATOM 1922 O OG . SER B 2 213 . 7.492 13.591 31.437 1 15.67 ? OG SER H 203 1 -ATOM 1923 N N . PRO B 2 214 . 4.777 12.301 31.899 1 16.37 ? N PRO H 204 1 -ATOM 1924 C CA . PRO B 2 214 . 3.593 13.008 32.439 1 17.88 ? CA PRO H 204 1 -ATOM 1925 C C . PRO B 2 214 . 3.93 14.481 32.742 1 18.61 ? C PRO H 204 1 -ATOM 1926 O O . PRO B 2 214 . 3 15.267 33.091 1 20.08 ? O PRO H 204 1 -ATOM 1927 C CB . PRO B 2 214 . 3.249 12.334 33.761 1 17.59 ? CB PRO H 204 1 -ATOM 1928 C CG . PRO B 2 214 . 4.331 11.273 33.993 1 18.19 ? CG PRO H 204 1 -ATOM 1929 C CD . PRO B 2 214 . 5.339 11.328 32.86 1 16.73 ? CD PRO H 204 1 -ATOM 1930 N N . PHE B 2 215 A 5.221 14.852 32.619 1 18.13 ? N PHE H 204 1 -ATOM 1931 C CA . PHE B 2 215 A 5.726 16.236 32.95 1 20.55 ? CA PHE H 204 1 -ATOM 1932 C C . PHE B 2 215 A 5.591 17.183 31.745 1 22.08 ? C PHE H 204 1 -ATOM 1933 O O . PHE B 2 215 A 4.899 18.22 31.81 1 23.48 ? O PHE H 204 1 -ATOM 1934 C CB . PHE B 2 215 A 7.165 16.138 33.443 1 22.72 ? CB PHE H 204 1 -ATOM 1935 C CG . PHE B 2 215 A 7.284 15.164 34.619 1 25.62 ? CG PHE H 204 1 -ATOM 1936 C CD1 . PHE B 2 215 A 6.52 15.368 35.777 1 23.29 ? CD1 PHE H 204 1 -ATOM 1937 C CD2 . PHE B 2 215 A 8.142 14.063 34.536 1 25.29 ? CD2 PHE H 204 1 -ATOM 1938 C CE1 . PHE B 2 215 A 6.614 14.471 36.847 1 23 ? CE1 PHE H 204 1 -ATOM 1939 C CE2 . PHE B 2 215 A 8.234 13.163 35.604 1 24.33 ? CE2 PHE H 204 1 -ATOM 1940 C CZ . PHE B 2 215 A 7.469 13.367 36.759 1 24.35 ? CZ PHE H 204 1 -ATOM 1941 N N . ASN B 2 216 B 6.097 16.652 30.614 1 23.03 ? N ASN H 204 1 -ATOM 1942 C CA . ASN B 2 216 B 6.076 17.36 29.351 1 21.32 ? CA ASN H 204 1 -ATOM 1943 C C . ASN B 2 216 B 5.338 16.665 28.204 1 22.13 ? C ASN H 204 1 -ATOM 1944 O O . ASN B 2 216 B 5.375 17.223 27.06 1 22.1 ? O ASN H 204 1 -ATOM 1945 C CB . ASN B 2 216 B 7.491 17.797 28.97 1 21.08 ? CB ASN H 204 1 -ATOM 1946 C CG . ASN B 2 216 B 8.277 16.566 28.609 1 20.75 ? CG ASN H 204 1 -ATOM 1947 O OD1 . ASN B 2 216 B 9.499 16.644 28.401 1 22.61 ? OD1 ASN H 204 1 -ATOM 1948 N ND2 . ASN B 2 216 B 7.463 15.53 28.784 1 23.38 ? ND2 ASN H 204 1 -ATOM 1949 N N . ASN B 2 217 . 4.537 15.652 28.535 1 21.22 ? N ASN H 205 1 -ATOM 1950 C CA . ASN B 2 217 . 3.682 14.926 27.572 1 20.32 ? CA ASN H 205 1 -ATOM 1951 C C . ASN B 2 217 . 4.355 14.269 26.374 1 16.83 ? C ASN H 205 1 -ATOM 1952 O O . ASN B 2 217 . 3.744 13.973 25.318 1 18.39 ? O ASN H 205 1 -ATOM 1953 C CB . ASN B 2 217 . 2.664 16.007 27.098 1 27.79 ? CB ASN H 205 1 -ATOM 1954 C CG . ASN B 2 217 . 1.282 15.765 27.715 1 33.55 ? CG ASN H 205 1 -ATOM 1955 O OD1 . ASN B 2 217 . 0.872 16.232 28.804 1 34.46 ? OD1 ASN H 205 1 -ATOM 1956 N ND2 . ASN B 2 217 . 0.442 15.178 26.806 1 34.84 ? ND2 ASN H 205 1 -ATOM 1957 N N . ARG B 2 218 . 5.65 14.264 26.402 1 14.79 ? N ARG H 206 1 -ATOM 1958 C CA . ARG B 2 218 . 6.551 13.718 25.438 1 14.45 ? CA ARG H 206 1 -ATOM 1959 C C . ARG B 2 218 . 6.826 12.204 25.568 1 15.3 ? C ARG H 206 1 -ATOM 1960 O O . ARG B 2 218 . 6.987 11.777 26.725 1 16.7 ? O ARG H 206 1 -ATOM 1961 C CB . ARG B 2 218 . 7.868 14.473 25.554 1 15.03 ? CB ARG H 206 1 -ATOM 1962 C CG . ARG B 2 218 . 8.027 15.693 24.629 1 18.07 ? CG ARG H 206 1 -ATOM 1963 C CD . ARG B 2 218 . 9.291 16.394 24.894 1 20.49 ? CD ARG H 206 1 -ATOM 1964 N NE . ARG B 2 218 . 9.192 17.774 24.485 1 24.26 ? NE ARG H 206 1 -ATOM 1965 C CZ . ARG B 2 218 . 9.671 18.337 23.399 1 26.28 ? CZ ARG H 206 1 -ATOM 1966 N NH1 . ARG B 2 218 . 10.472 17.829 22.461 1 23.25 ? NH1 ARG H 206 1 -ATOM 1967 N NH2 . ARG B 2 218 . 9.411 19.663 23.337 1 30.49 ? NH2 ARG H 206 1 -ATOM 1968 N N . TRP B 2 219 . 7.175 11.537 24.478 1 15.74 ? N TRP H 207 1 -ATOM 1969 C CA . TRP B 2 219 . 7.517 10.123 24.422 1 15.55 ? CA TRP H 207 1 -ATOM 1970 C C . TRP B 2 219 . 9.012 9.871 24.502 1 13.45 ? C TRP H 207 1 -ATOM 1971 O O . TRP B 2 219 . 9.707 10.498 23.73 1 13.28 ? O TRP H 207 1 -ATOM 1972 C CB . TRP B 2 219 . 7 9.421 23.132 1 15.83 ? CB TRP H 207 1 -ATOM 1973 C CG . TRP B 2 219 . 5.468 9.311 23.18 1 18.81 ? CG TRP H 207 1 -ATOM 1974 C CD1 . TRP B 2 219 . 4.588 10.189 22.686 1 17.97 ? CD1 TRP H 207 1 -ATOM 1975 C CD2 . TRP B 2 219 . 4.726 8.249 23.784 1 17.79 ? CD2 TRP H 207 1 -ATOM 1976 N NE1 . TRP B 2 219 . 3.28 9.706 23.003 1 19.15 ? NE1 TRP H 207 1 -ATOM 1977 C CE2 . TRP B 2 219 . 3.381 8.573 23.652 1 17.79 ? CE2 TRP H 207 1 -ATOM 1978 C CE3 . TRP B 2 219 . 5.074 7.057 24.435 1 15.42 ? CE3 TRP H 207 1 -ATOM 1979 C CZ2 . TRP B 2 219 . 2.342 7.778 24.155 1 17.78 ? CZ2 TRP H 207 1 -ATOM 1980 C CZ3 . TRP B 2 219 . 4.02 6.256 24.931 1 16.13 ? CZ3 TRP H 207 1 -ATOM 1981 C CH2 . TRP B 2 219 . 2.718 6.603 24.799 1 17.37 ? CH2 TRP H 207 1 -ATOM 1982 N N . TYR B 2 220 . 9.494 9.066 25.436 1 12.91 ? N TYR H 208 1 -ATOM 1983 C CA . TYR B 2 220 . 10.915 8.777 25.578 1 13.06 ? CA TYR H 208 1 -ATOM 1984 C C . TYR B 2 220 . 11.238 7.311 25.277 1 14.18 ? C TYR H 208 1 -ATOM 1985 O O . TYR B 2 220 . 10.422 6.465 25.612 1 15.46 ? O TYR H 208 1 -ATOM 1986 C CB . TYR B 2 220 . 11.263 9.138 27.031 1 16.41 ? CB TYR H 208 1 -ATOM 1987 C CG . TYR B 2 220 . 11.351 10.639 27.314 1 17.15 ? CG TYR H 208 1 -ATOM 1988 C CD1 . TYR B 2 220 . 12.474 11.366 26.904 1 16.27 ? CD1 TYR H 208 1 -ATOM 1989 C CD2 . TYR B 2 220 . 10.313 11.282 27.998 1 17.14 ? CD2 TYR H 208 1 -ATOM 1990 C CE1 . TYR B 2 220 . 12.56 12.737 27.177 1 20.65 ? CE1 TYR H 208 1 -ATOM 1991 C CE2 . TYR B 2 220 . 10.398 12.652 28.27 1 22.69 ? CE2 TYR H 208 1 -ATOM 1992 C CZ . TYR B 2 220 . 11.521 13.38 27.86 1 22.82 ? CZ TYR H 208 1 -ATOM 1993 O OH . TYR B 2 220 . 11.601 14.71 28.129 1 24.72 ? OH TYR H 208 1 -ATOM 1994 N N . GLN B 2 221 . 12.302 6.918 24.676 1 14.1 ? N GLN H 209 1 -ATOM 1995 C CA . GLN B 2 221 . 12.644 5.499 24.545 1 16.45 ? CA GLN H 209 1 -ATOM 1996 C C . GLN B 2 221 . 13.583 5.133 25.721 1 17.57 ? C GLN H 209 1 -ATOM 1997 O O . GLN B 2 221 . 14.802 5.476 25.855 1 16.92 ? O GLN H 209 1 -ATOM 1998 C CB . GLN B 2 221 . 13.405 5.352 23.212 1 15.24 ? CB GLN H 209 1 -ATOM 1999 C CG . GLN B 2 221 . 13.808 3.862 23.087 1 11.27 ? CG GLN H 209 1 -ATOM 2000 C CD . GLN B 2 221 . 14.348 3.479 21.777 1 10.66 ? CD GLN H 209 1 -ATOM 2001 O OE1 . GLN B 2 221 . 14.495 4.406 20.935 1 10.32 ? OE1 GLN H 209 1 -ATOM 2002 N NE2 . GLN B 2 221 . 14.866 2.248 21.612 1 10 ? NE2 GLN H 209 1 -ATOM 2003 N N . MET B 2 222 . 13.014 4.345 26.611 1 18.43 ? N MET H 210 1 -ATOM 2004 C CA . MET B 2 222 . 13.693 3.718 27.773 1 16.91 ? CA MET H 210 1 -ATOM 2005 C C . MET B 2 222 . 14.461 2.451 27.488 1 17.33 ? C MET H 210 1 -ATOM 2006 O O . MET B 2 222 . 15.695 2.263 27.773 1 18.93 ? O MET H 210 1 -ATOM 2007 C CB . MET B 2 222 . 12.566 3.482 28.751 1 15.06 ? CB MET H 210 1 -ATOM 2008 C CG . MET B 2 222 . 11.865 4.784 28.77 1 20.36 ? CG MET H 210 1 -ATOM 2009 S SD . MET B 2 222 . 12.737 6.092 29.747 1 27.93 ? SD MET H 210 1 -ATOM 2010 C CE . MET B 2 222 . 11.156 6.9 30.102 1 28.19 ? CE MET H 210 1 -ATOM 2011 N N . GLY B 2 223 . 13.889 1.619 26.621 1 18.53 ? N GLY H 211 1 -ATOM 2012 C CA . GLY B 2 223 . 14.431 0.26 26.303 1 16.51 ? CA GLY H 211 1 -ATOM 2013 C C . GLY B 2 223 . 14.59 -0.135 24.87 1 16.87 ? C GLY H 211 1 -ATOM 2014 O O . GLY B 2 223 . 13.966 0.411 23.932 1 17.94 ? O GLY H 211 1 -ATOM 2015 N N . ILE B 2 224 . 15.517 -1.047 24.579 1 17.31 ? N ILE H 212 1 -ATOM 2016 C CA . ILE B 2 224 . 15.628 -1.641 23.231 1 17.79 ? CA ILE H 212 1 -ATOM 2017 C C . ILE B 2 224 . 15.241 -3.147 23.347 1 18.65 ? C ILE H 212 1 -ATOM 2018 O O . ILE B 2 224 . 15.388 -3.65 24.474 1 19.83 ? O ILE H 212 1 -ATOM 2019 C CB . ILE B 2 224 . 17.013 -1.473 22.584 1 13.84 ? CB ILE H 212 1 -ATOM 2020 C CG1 . ILE B 2 224 . 17.473 -0.117 22.05 1 16.19 ? CG1 ILE H 212 1 -ATOM 2021 C CG2 . ILE B 2 224 . 16.931 -2.497 21.406 1 15.36 ? CG2 ILE H 212 1 -ATOM 2022 C CD1 . ILE B 2 224 . 19.011 0.133 21.863 1 14.84 ? CD1 ILE H 212 1 -ATOM 2023 N N . VAL B 2 225 . 14.359 -3.756 22.577 1 19.44 ? N VAL H 213 1 -ATOM 2024 C CA . VAL B 2 225 . 13.886 -5.158 22.642 1 19.3 ? CA VAL H 213 1 -ATOM 2025 C C . VAL B 2 225 . 15.128 -6.093 22.499 1 18.63 ? C VAL H 213 1 -ATOM 2026 O O . VAL B 2 225 . 15.804 -6.009 21.486 1 17.96 ? O VAL H 213 1 -ATOM 2027 C CB . VAL B 2 225 . 12.72 -5.443 21.719 1 20.1 ? CB VAL H 213 1 -ATOM 2028 C CG1 . VAL B 2 225 . 12.053 -6.848 21.91 1 21.52 ? CG1 VAL H 213 1 -ATOM 2029 C CG2 . VAL B 2 225 . 11.578 -4.449 21.741 1 18.61 ? CG2 VAL H 213 1 -ATOM 2030 N N . SER B 2 226 . 15.51 -6.792 23.593 1 18.48 ? N SER H 214 1 -ATOM 2031 C CA . SER B 2 226 . 16.729 -7.578 23.59 1 18.84 ? CA SER H 214 1 -ATOM 2032 C C . SER B 2 226 . 16.553 -9.102 23.6 1 18.29 ? C SER H 214 1 -ATOM 2033 O O . SER B 2 226 . 16.797 -9.736 22.525 1 19.11 ? O SER H 214 1 -ATOM 2034 C CB . SER B 2 226 . 17.752 -7.217 24.688 1 18.27 ? CB SER H 214 1 -ATOM 2035 O OG . SER B 2 226 . 19.071 -7.479 24.125 1 17.79 ? OG SER H 214 1 -ATOM 2036 N N . TRP B 2 227 . 16.097 -9.75 24.644 1 17.21 ? N TRP H 215 1 -ATOM 2037 C CA . TRP B 2 227 . 16.052 -11.229 24.505 1 14.46 ? CA TRP H 215 1 -ATOM 2038 C C . TRP B 2 227 . 15.035 -11.717 25.46 1 16.18 ? C TRP H 215 1 -ATOM 2039 O O . TRP B 2 227 . 14.537 -10.872 26.221 1 15.78 ? O TRP H 215 1 -ATOM 2040 C CB . TRP B 2 227 . 17.427 -11.772 24.834 1 17.73 ? CB TRP H 215 1 -ATOM 2041 C CG . TRP B 2 227 . 18.111 -11.249 26.095 1 17.91 ? CG TRP H 215 1 -ATOM 2042 C CD1 . TRP B 2 227 . 18.848 -10.135 26.217 1 16.32 ? CD1 TRP H 215 1 -ATOM 2043 C CD2 . TRP B 2 227 . 18.088 -11.897 27.354 1 24.06 ? CD2 TRP H 215 1 -ATOM 2044 N NE1 . TRP B 2 227 . 19.316 -10.087 27.57 1 15.75 ? NE1 TRP H 215 1 -ATOM 2045 C CE2 . TRP B 2 227 . 18.867 -11.137 28.216 1 21.06 ? CE2 TRP H 215 1 -ATOM 2046 C CE3 . TRP B 2 227 . 17.483 -13.066 27.825 1 24.08 ? CE3 TRP H 215 1 -ATOM 2047 C CZ2 . TRP B 2 227 . 19.102 -11.501 29.547 1 22.35 ? CZ2 TRP H 215 1 -ATOM 2048 C CZ3 . TRP B 2 227 . 17.711 -13.414 29.17 1 24.59 ? CZ3 TRP H 215 1 -ATOM 2049 C CH2 . TRP B 2 227 . 18.486 -12.669 29.989 1 25.12 ? CH2 TRP H 215 1 -ATOM 2050 N N . GLY B 2 228 . 14.633 -12.983 25.288 1 16.01 ? N GLY H 216 1 -ATOM 2051 C CA . GLY B 2 228 . 13.639 -13.478 26.275 1 19.07 ? CA GLY H 216 1 -ATOM 2052 C C . GLY B 2 228 . 13.641 -15.016 26.107 1 20.74 ? C GLY H 216 1 -ATOM 2053 O O . GLY B 2 228 . 14.209 -15.42 25.088 1 20.96 ? O GLY H 216 1 -ATOM 2054 N N . GLU B 2 229 . 13.279 -15.777 27.34 1 22.58 ? N GLU H 217 1 -ATOM 2055 C CA . GLU B 2 229 . 13.025 -17.231 27.231 1 24.33 ? CA GLU H 217 1 -ATOM 2056 C C . GLU B 2 229 . 11.665 -17.487 26.604 1 24.77 ? C GLU H 217 1 -ATOM 2057 O O . GLU B 2 229 . 10.641 -17.464 27.303 1 26.43 ? O GLU H 217 1 -ATOM 2058 C CB . GLU B 2 229 . 13.003 -17.963 28.613 1 29.82 ? CB GLU H 217 1 -ATOM 2059 C CG . GLU B 2 229 . 13.747 -17.262 29.769 1 30.18 ? CG GLU H 217 1 -ATOM 2060 C CD . GLU B 2 229 . 15.247 -17.585 29.821 1 30.75 ? CD GLU H 217 1 -ATOM 2061 O OE1 . GLU B 2 229 . 15.949 -17.514 28.748 1 33.27 ? OE1 GLU H 217 1 -ATOM 2062 O OE2 . GLU B 2 229 . 15.809 -17.924 30.941 1 29.91 ? OE2 GLU H 217 1 -ATOM 2063 N N . GLY B 2 230 . 11.619 -17.793 25.372 1 23.7 ? N GLY H 219 1 -ATOM 2064 C CA . GLY B 2 230 . 10.321 -17.956 24.71 1 27.14 ? CA GLY H 219 1 -ATOM 2065 C C . GLY B 2 230 . 9.467 -16.687 24.911 1 28.17 ? C GLY H 219 1 -ATOM 2066 O O . GLY B 2 230 . 9.591 -16.033 25.979 1 28.53 ? O GLY H 219 1 -ATOM 2067 N N . CYS B 2 231 . 8.546 -16.44 24 1 28.63 ? N CYS H 220 1 -ATOM 2068 C CA . CYS B 2 231 . 7.584 -15.307 24.072 1 28.45 ? CA CYS H 220 1 -ATOM 2069 C C . CYS B 2 231 . 6.337 -15.578 24.907 1 30.29 ? C CYS H 220 1 -ATOM 2070 O O . CYS B 2 231 . 5.534 -16.539 24.784 1 30.24 ? O CYS H 220 1 -ATOM 2071 C CB . CYS B 2 231 . 7.131 -14.959 22.694 1 25.18 ? CB CYS H 220 1 -ATOM 2072 S SG . CYS B 2 231 . 8.491 -15.07 21.492 1 25.71 ? SG CYS H 220 1 -ATOM 2073 N N . ASP B 2 232 . 6.008 -14.646 25.779 1 29.88 ? N ASP H 221 1 -ATOM 2074 C CA . ASP B 2 232 . 4.809 -14.704 26.618 1 32.03 ? CA ASP H 221 1 -ATOM 2075 C C . ASP B 2 232 . 4.671 -16.042 27.372 1 32.79 ? C ASP H 221 1 -ATOM 2076 O O . ASP B 2 232 . 3.598 -16.568 27.809 1 33.33 ? O ASP H 221 1 -ATOM 2077 C CB . ASP B 2 232 . 3.618 -14.261 25.73 1 32.47 ? CB ASP H 221 1 -ATOM 2078 C CG . ASP B 2 232 . 2.376 -13.946 26.561 1 32.53 ? CG ASP H 221 1 -ATOM 2079 O OD1 . ASP B 2 232 . 2.511 -13.277 27.617 1 32.14 ? OD1 ASP H 221 1 -ATOM 2080 O OD2 . ASP B 2 232 . 1.257 -14.43 26.281 1 33.39 ? OD2 ASP H 221 1 -ATOM 2081 N N . ARG B 2 233 A 5.822 -16.547 27.822 1 32.57 ? N ARG H 221 1 -ATOM 2082 C CA . ARG B 2 233 A 5.726 -17.747 28.689 1 33.5 ? CA ARG H 221 1 -ATOM 2083 C C . ARG B 2 233 A 5.422 -17.232 30.092 1 34.05 ? C ARG H 221 1 -ATOM 2084 O O . ARG B 2 233 A 6.016 -16.306 30.714 1 34.66 ? O ARG H 221 1 -ATOM 2085 C CB . ARG B 2 233 A 6.95 -18.624 28.745 1 33.09 ? CB ARG H 221 1 -ATOM 2086 C CG . ARG B 2 233 A 7.694 -19.024 27.502 1 34.3 ? CG ARG H 221 1 -ATOM 2087 C CD . ARG B 2 233 A 7.512 -20.473 27.152 1 36.78 ? CD ARG H 221 1 -ATOM 2088 N NE . ARG B 2 233 A 8.404 -20.762 26.04 1 39.17 ? NE ARG H 221 1 -ATOM 2089 C CZ . ARG B 2 233 A 9.611 -21.288 26.248 1 40.21 ? CZ ARG H 221 1 -ATOM 2090 N NH1 . ARG B 2 233 A 9.786 -21.886 27.436 1 41.02 ? NH1 ARG H 221 1 -ATOM 2091 N NH2 . ARG B 2 233 A 10.471 -21.431 25.24 1 39.85 ? NH2 ARG H 221 1 -ATOM 2092 N N . ASP B 2 234 . 4.495 -17.911 30.728 1 34.36 ? N ASP H 222 1 -ATOM 2093 C CA . ASP B 2 234 . 4.197 -17.642 32.139 1 35.33 ? CA ASP H 222 1 -ATOM 2094 C C . ASP B 2 234 . 5.475 -17.669 32.998 1 34.75 ? C ASP H 222 1 -ATOM 2095 O O . ASP B 2 234 . 6.309 -18.575 32.879 1 33.96 ? O ASP H 222 1 -ATOM 2096 C CB . ASP B 2 234 . 3.267 -18.81 32.518 1 40.43 ? CB ASP H 222 1 -ATOM 2097 C CG . ASP B 2 234 . 2.017 -18.153 33.091 1 45.49 ? CG ASP H 222 1 -ATOM 2098 O OD1 . ASP B 2 234 . 2.01 -16.887 32.994 1 49.44 ? OD1 ASP H 222 1 -ATOM 2099 O OD2 . ASP B 2 234 . 1.243 -18.922 33.676 1 48.08 ? OD2 ASP H 222 1 -ATOM 2100 N N . GLY B 2 235 . 5.686 -16.681 33.841 1 34.41 ? N GLY H 223 1 -ATOM 2101 C CA . GLY B 2 235 . 6.812 -16.603 34.768 1 33.45 ? CA GLY H 223 1 -ATOM 2102 C C . GLY B 2 235 . 8.135 -16.202 34.148 1 32.57 ? C GLY H 223 1 -ATOM 2103 O O . GLY B 2 235 . 9.193 -16.205 34.81 1 32.58 ? O GLY H 223 1 -ATOM 2104 N N . LYS B 2 236 . 8.078 -15.894 32.869 1 31.8 ? N LYS H 224 1 -ATOM 2105 C CA . LYS B 2 236 . 9.299 -15.366 32.202 1 31.16 ? CA LYS H 224 1 -ATOM 2106 C C . LYS B 2 236 . 9.007 -13.914 31.798 1 31.91 ? C LYS H 224 1 -ATOM 2107 O O . LYS B 2 236 . 7.812 -13.516 31.743 1 33.82 ? O LYS H 224 1 -ATOM 2108 C CB . LYS B 2 236 . 9.701 -16.379 31.158 1 31.4 ? CB LYS H 224 1 -ATOM 2109 C CG . LYS B 2 236 . 10.295 -17.61 31.924 1 31.9 ? CG LYS H 224 1 -ATOM 2110 C CD . LYS B 2 236 . 11.272 -18.372 31.051 1 32.72 ? CD LYS H 224 1 -ATOM 2111 C CE . LYS B 2 236 . 12.38 -19.061 31.883 1 34.5 ? CE LYS H 224 1 -ATOM 2112 N NZ . LYS B 2 236 . 11.763 -19.529 33.164 1 35.37 ? NZ LYS H 224 1 -ATOM 2113 N N . TYR B 2 237 . 10.015 -13.053 31.623 1 30.58 ? N TYR H 225 1 -ATOM 2114 C CA . TYR B 2 237 . 9.913 -11.657 31.231 1 27.31 ? CA TYR H 225 1 -ATOM 2115 C C . TYR B 2 237 . 10.86 -11.262 30.114 1 25.46 ? C TYR H 225 1 -ATOM 2116 O O . TYR B 2 237 . 11.875 -11.907 29.843 1 27.39 ? O TYR H 225 1 -ATOM 2117 C CB . TYR B 2 237 . 10.139 -10.693 32.396 1 26.18 ? CB TYR H 225 1 -ATOM 2118 C CG . TYR B 2 237 . 9.352 -11.128 33.624 1 25.02 ? CG TYR H 225 1 -ATOM 2119 C CD1 . TYR B 2 237 . 9.865 -12.123 34.463 1 26.67 ? CD1 TYR H 225 1 -ATOM 2120 C CD2 . TYR B 2 237 . 8.114 -10.544 33.893 1 21.63 ? CD2 TYR H 225 1 -ATOM 2121 C CE1 . TYR B 2 237 . 9.136 -12.529 35.585 1 28.01 ? CE1 TYR H 225 1 -ATOM 2122 C CE2 . TYR B 2 237 . 7.384 -10.948 35.014 1 26.33 ? CE2 TYR H 225 1 -ATOM 2123 C CZ . TYR B 2 237 . 7.895 -11.939 35.861 1 29.88 ? CZ TYR H 225 1 -ATOM 2124 O OH . TYR B 2 237 . 7.182 -12.324 36.952 1 31.16 ? OH TYR H 225 1 -ATOM 2125 N N . GLY B 2 238 . 10.434 -10.27 29.315 1 22.73 ? N GLY H 226 1 -ATOM 2126 C CA . GLY B 2 238 . 11.289 -9.795 28.219 1 15.43 ? CA GLY H 226 1 -ATOM 2127 C C . GLY B 2 238 . 12.311 -8.95 28.897 1 12.68 ? C GLY H 226 1 -ATOM 2128 O O . GLY B 2 238 . 12.117 -8.218 29.845 1 10.29 ? O GLY H 226 1 -ATOM 2129 N N . PHE B 2 239 . 13.429 -8.989 28.202 1 15.02 ? N PHE H 227 1 -ATOM 2130 C CA . PHE B 2 239 . 14.623 -8.238 28.535 1 15.95 ? CA PHE H 227 1 -ATOM 2131 C C . PHE B 2 239 . 14.951 -7.206 27.431 1 16.07 ? C PHE H 227 1 -ATOM 2132 O O . PHE B 2 239 . 14.791 -7.474 26.233 1 18.47 ? O PHE H 227 1 -ATOM 2133 C CB . PHE B 2 239 . 15.804 -9.225 28.702 1 14.29 ? CB PHE H 227 1 -ATOM 2134 C CG . PHE B 2 239 . 15.728 -9.821 30.103 1 16.18 ? CG PHE H 227 1 -ATOM 2135 C CD1 . PHE B 2 239 . 14.935 -10.95 30.338 1 14.71 ? CD1 PHE H 227 1 -ATOM 2136 C CD2 . PHE B 2 239 . 16.415 -9.211 31.155 1 14.29 ? CD2 PHE H 227 1 -ATOM 2137 C CE1 . PHE B 2 239 . 14.836 -11.477 31.63 1 15.81 ? CE1 PHE H 227 1 -ATOM 2138 C CE2 . PHE B 2 239 . 16.313 -9.736 32.448 1 16.61 ? CE2 PHE H 227 1 -ATOM 2139 C CZ . PHE B 2 239 . 15.526 -10.869 32.685 1 12.65 ? CZ PHE H 227 1 -ATOM 2140 N N . TYR B 2 240 . 15.432 -6.038 27.869 1 17.89 ? N TYR H 228 1 -ATOM 2141 C CA . TYR B 2 240 . 15.719 -4.893 26.966 1 16.11 ? CA TYR H 228 1 -ATOM 2142 C C . TYR B 2 240 . 17.001 -4.159 27.305 1 14.77 ? C TYR H 228 1 -ATOM 2143 O O . TYR B 2 240 . 17.21 -4.118 28.531 1 13.7 ? O TYR H 228 1 -ATOM 2144 C CB . TYR B 2 240 . 14.613 -3.83 27.128 1 15.97 ? CB TYR H 228 1 -ATOM 2145 C CG . TYR B 2 240 . 13.18 -4.346 26.912 1 15.85 ? CG TYR H 228 1 -ATOM 2146 C CD1 . TYR B 2 240 . 12.502 -5.047 27.928 1 15.93 ? CD1 TYR H 228 1 -ATOM 2147 C CD2 . TYR B 2 240 . 12.537 -4.097 25.697 1 12.5 ? CD2 TYR H 228 1 -ATOM 2148 C CE1 . TYR B 2 240 . 11.196 -5.521 27.705 1 13.36 ? CE1 TYR H 228 1 -ATOM 2149 C CE2 . TYR B 2 240 . 11.24 -4.574 25.474 1 14.36 ? CE2 TYR H 228 1 -ATOM 2150 C CZ . TYR B 2 240 . 10.573 -5.291 26.471 1 14.23 ? CZ TYR H 228 1 -ATOM 2151 O OH . TYR B 2 240 . 9.325 -5.777 26.226 1 20.57 ? OH TYR H 228 1 -ATOM 2152 N N . THR B 2 241 . 17.789 -3.667 26.339 1 14.75 ? N THR H 229 1 -ATOM 2153 C CA . THR B 2 241 . 18.935 -2.844 26.698 1 14.48 ? CA THR H 229 1 -ATOM 2154 C C . THR B 2 241 . 18.465 -1.554 27.398 1 16.81 ? C THR H 229 1 -ATOM 2155 O O . THR B 2 241 . 17.383 -1.021 27.018 1 15.95 ? O THR H 229 1 -ATOM 2156 C CB . THR B 2 241 . 19.727 -2.48 25.429 1 15.69 ? CB THR H 229 1 -ATOM 2157 O OG1 . THR B 2 241 . 19.478 -3.615 24.533 1 14.89 ? OG1 THR H 229 1 -ATOM 2158 C CG2 . THR B 2 241 . 21.2 -2.17 25.787 1 14.04 ? CG2 THR H 229 1 -ATOM 2159 N N . HIS B 2 242 . 19.233 -1.099 28.399 1 16.65 ? N HIS H 230 1 -ATOM 2160 C CA . HIS B 2 242 . 18.936 0.054 29.253 1 16.06 ? CA HIS H 230 1 -ATOM 2161 C C . HIS B 2 242 . 19.521 1.305 28.626 1 17.65 ? C HIS H 230 1 -ATOM 2162 O O . HIS B 2 242 . 20.711 1.591 28.775 1 16.53 ? O HIS H 230 1 -ATOM 2163 C CB . HIS B 2 242 . 19.523 -0.188 30.634 1 22.16 ? CB HIS H 230 1 -ATOM 2164 C CG . HIS B 2 242 . 18.953 0.726 31.684 1 26.03 ? CG HIS H 230 1 -ATOM 2165 N ND1 . HIS B 2 242 . 18.969 2.087 31.527 1 27.67 ? ND1 HIS H 230 1 -ATOM 2166 C CD2 . HIS B 2 242 . 18.546 0.493 32.958 1 24.56 ? CD2 HIS H 230 1 -ATOM 2167 C CE1 . HIS B 2 242 . 18.497 2.649 32.626 1 26.57 ? CE1 HIS H 230 1 -ATOM 2168 N NE2 . HIS B 2 242 . 18.273 1.721 33.486 1 25.39 ? NE2 HIS H 230 1 -ATOM 2169 N N . VAL B 2 243 . 18.65 1.893 27.813 1 17.33 ? N VAL H 231 1 -ATOM 2170 C CA . VAL B 2 243 . 19.029 3.04 26.945 1 18.8 ? CA VAL H 231 1 -ATOM 2171 C C . VAL B 2 243 . 19.647 4.126 27.81 1 18.36 ? C VAL H 231 1 -ATOM 2172 O O . VAL B 2 243 . 20.7 4.59 27.365 1 17.1 ? O VAL H 231 1 -ATOM 2173 C CB . VAL B 2 243 . 17.837 3.444 26.047 1 19.32 ? CB VAL H 231 1 -ATOM 2174 C CG1 . VAL B 2 243 . 17.824 4.863 25.491 1 19.04 ? CG1 VAL H 231 1 -ATOM 2175 C CG2 . VAL B 2 243 . 17.531 2.506 24.891 1 14.15 ? CG2 VAL H 231 1 -ATOM 2176 N N . PHE B 2 244 . 19.105 4.507 28.935 1 19.95 ? N PHE H 232 1 -ATOM 2177 C CA . PHE B 2 244 . 19.847 5.575 29.701 1 21.37 ? CA PHE H 232 1 -ATOM 2178 C C . PHE B 2 244 . 21.263 5.178 30.099 1 23.57 ? C PHE H 232 1 -ATOM 2179 O O . PHE B 2 244 . 22.251 5.951 30.041 1 24.4 ? O PHE H 232 1 -ATOM 2180 C CB . PHE B 2 244 . 18.939 6.025 30.846 1 24.02 ? CB PHE H 232 1 -ATOM 2181 C CG . PHE B 2 244 . 19.643 7.205 31.515 1 29.18 ? CG PHE H 232 1 -ATOM 2182 C CD1 . PHE B 2 244 . 19.716 8.429 30.842 1 30.3 ? CD1 PHE H 232 1 -ATOM 2183 C CD2 . PHE B 2 244 . 20.257 7.053 32.762 1 27.72 ? CD2 PHE H 232 1 -ATOM 2184 C CE1 . PHE B 2 244 . 20.419 9.498 31.403 1 29.83 ? CE1 PHE H 232 1 -ATOM 2185 C CE2 . PHE B 2 244 . 20.967 8.12 33.322 1 31.76 ? CE2 PHE H 232 1 -ATOM 2186 C CZ . PHE B 2 244 . 21.052 9.342 32.64 1 28.79 ? CZ PHE H 232 1 -ATOM 2187 N N . ARG B 2 245 . 21.521 3.99 30.632 1 23.01 ? N ARG H 233 1 -ATOM 2188 C CA . ARG B 2 245 . 22.817 3.552 31.105 1 23.34 ? CA ARG H 233 1 -ATOM 2189 C C . ARG B 2 245 . 23.805 3.692 29.957 1 24.9 ? C ARG H 233 1 -ATOM 2190 O O . ARG B 2 245 . 25.036 3.621 30.15 1 25.34 ? O ARG H 233 1 -ATOM 2191 C CB . ARG B 2 245 . 22.87 2.105 31.535 1 21.17 ? CB ARG H 233 1 -ATOM 2192 C CG . ARG B 2 245 . 21.903 1.762 32.647 1 25.4 ? CG ARG H 233 1 -ATOM 2193 C CD . ARG B 2 245 . 22.548 1.795 33.995 1 27.84 ? CD ARG H 233 1 -ATOM 2194 N NE . ARG B 2 245 . 23.865 1.194 34.021 1 32.89 ? NE ARG H 233 1 -ATOM 2195 C CZ . ARG B 2 245 . 24.869 1.062 34.88 1 33.64 ? CZ ARG H 233 1 -ATOM 2196 N NH1 . ARG B 2 245 . 24.896 1.666 36.075 1 34.63 ? NH1 ARG H 233 1 -ATOM 2197 N NH2 . ARG B 2 245 . 25.993 0.381 34.568 1 34.33 ? NH2 ARG H 233 1 -ATOM 2198 N N . LEU B 2 246 . 23.214 3.717 28.757 1 25.62 ? N LEU H 234 1 -ATOM 2199 C CA . LEU B 2 246 . 24.134 3.759 27.583 1 26.58 ? CA LEU H 234 1 -ATOM 2200 C C . LEU B 2 246 . 24.177 5.125 26.848 1 25.96 ? C LEU H 234 1 -ATOM 2201 O O . LEU B 2 246 . 24.969 5.275 25.905 1 23.5 ? O LEU H 234 1 -ATOM 2202 C CB . LEU B 2 246 . 23.816 2.576 26.654 1 23.12 ? CB LEU H 234 1 -ATOM 2203 C CG . LEU B 2 246 . 23.92 1.113 27.019 1 25.03 ? CG LEU H 234 1 -ATOM 2204 C CD1 . LEU B 2 246 . 24.453 0.382 25.755 1 23.35 ? CD1 LEU H 234 1 -ATOM 2205 C CD2 . LEU B 2 246 . 24.835 0.931 28.195 1 23.32 ? CD2 LEU H 234 1 -ATOM 2206 N N . LYS B 2 247 . 23.459 6.128 27.359 1 28.4 ? N LYS H 235 1 -ATOM 2207 C CA . LYS B 2 247 . 23.349 7.434 26.683 1 28.83 ? CA LYS H 235 1 -ATOM 2208 C C . LYS B 2 247 . 24.728 8.02 26.427 1 31.2 ? C LYS H 235 1 -ATOM 2209 O O . LYS B 2 247 . 24.97 8.609 25.337 1 30.36 ? O LYS H 235 1 -ATOM 2210 C CB . LYS B 2 247 . 22.555 8.476 27.45 1 28.67 ? CB LYS H 235 1 -ATOM 2211 C CG . LYS B 2 247 . 21.785 9.484 26.549 1 29.34 ? CG LYS H 235 1 -ATOM 2212 C CD . LYS B 2 247 . 21.176 10.569 27.377 1 32.54 ? CD LYS H 235 1 -ATOM 2213 C CE . LYS B 2 247 . 20.116 11.494 26.804 1 35.19 ? CE LYS H 235 1 -ATOM 2214 N NZ . LYS B 2 247 . 19.488 12.276 27.95 1 30.81 ? NZ LYS H 235 1 -ATOM 2215 N N . LYS B 2 248 . 25.596 7.827 27.437 1 32.18 ? N LYS H 236 1 -ATOM 2216 C CA . LYS B 2 248 . 26.932 8.501 27.249 1 34.29 ? CA LYS H 236 1 -ATOM 2217 C C . LYS B 2 248 . 27.648 7.937 26.044 1 35.03 ? C LYS H 236 1 -ATOM 2218 O O . LYS B 2 248 . 28.278 8.608 25.167 1 38.07 ? O LYS H 236 1 -ATOM 2219 C CB . LYS B 2 248 . 27.731 8.481 28.518 1 39.66 ? CB LYS H 236 1 -ATOM 2220 C CG . LYS B 2 248 . 27.519 9.53 29.59 1 45.69 ? CG LYS H 236 1 -ATOM 2221 C CD . LYS B 2 248 . 26.259 9.639 30.424 1 49.39 ? CD LYS H 236 1 -ATOM 2222 C CE . LYS B 2 248 . 26.209 8.687 31.607 1 50 ? CE LYS H 236 1 -ATOM 2223 N NZ . LYS B 2 248 . 24.78 8.208 31.759 1 50 ? NZ LYS H 236 1 -ATOM 2224 N N . TRP B 2 249 . 27.476 6.638 25.838 1 31.93 ? N TRP H 237 1 -ATOM 2225 C CA . TRP B 2 249 . 28.131 6.006 24.689 1 28.4 ? CA TRP H 237 1 -ATOM 2226 C C . TRP B 2 249 . 27.443 6.604 23.489 1 27.94 ? C TRP H 237 1 -ATOM 2227 O O . TRP B 2 249 . 28.166 6.909 22.55 1 28.55 ? O TRP H 237 1 -ATOM 2228 C CB . TRP B 2 249 . 27.93 4.488 24.701 1 24.8 ? CB TRP H 237 1 -ATOM 2229 C CG . TRP B 2 249 . 28.36 3.893 23.357 1 19.26 ? CG TRP H 237 1 -ATOM 2230 C CD1 . TRP B 2 249 . 29.614 3.715 22.93 1 16.06 ? CD1 TRP H 237 1 -ATOM 2231 C CD2 . TRP B 2 249 . 27.482 3.448 22.328 1 21.37 ? CD2 TRP H 237 1 -ATOM 2232 N NE1 . TRP B 2 249 . 29.54 3.151 21.621 1 15.84 ? NE1 TRP H 237 1 -ATOM 2233 C CE2 . TRP B 2 249 . 28.283 3.001 21.284 1 17.61 ? CE2 TRP H 237 1 -ATOM 2234 C CE3 . TRP B 2 249 . 26.088 3.385 22.189 1 18.98 ? CE3 TRP H 237 1 -ATOM 2235 C CZ2 . TRP B 2 249 . 27.771 2.484 20.089 1 17.65 ? CZ2 TRP H 237 1 -ATOM 2236 C CZ3 . TRP B 2 249 . 25.581 2.864 20.978 1 17.02 ? CZ3 TRP H 237 1 -ATOM 2237 C CH2 . TRP B 2 249 . 26.384 2.434 19.979 1 14.5 ? CH2 TRP H 237 1 -ATOM 2238 N N . ILE B 2 250 . 26.127 6.593 23.517 1 28.02 ? N ILE H 238 1 -ATOM 2239 C CA . ILE B 2 250 . 25.351 7.164 22.389 1 28.7 ? CA ILE H 238 1 -ATOM 2240 C C . ILE B 2 250 . 25.706 8.667 22.186 1 30.77 ? C ILE H 238 1 -ATOM 2241 O O . ILE B 2 250 . 25.752 9.094 21.015 1 29.45 ? O ILE H 238 1 -ATOM 2242 C CB . ILE B 2 250 . 23.816 7.073 22.691 1 27.85 ? CB ILE H 238 1 -ATOM 2243 C CG1 . ILE B 2 250 . 23.362 5.566 22.799 1 21.65 ? CG1 ILE H 238 1 -ATOM 2244 C CG2 . ILE B 2 250 . 22.927 7.934 21.749 1 21.45 ? CG2 ILE H 238 1 -ATOM 2245 C CD1 . ILE B 2 250 . 21.861 5.557 23.236 1 20.79 ? CD1 ILE H 238 1 -ATOM 2246 N N . GLN B 2 251 . 25.977 9.395 23.261 1 32.8 ? N GLN H 239 1 -ATOM 2247 C CA . GLN B 2 251 . 26.305 10.843 23.17 1 36.35 ? CA GLN H 239 1 -ATOM 2248 C C . GLN B 2 251 . 27.629 10.991 22.445 1 37.17 ? C GLN H 239 1 -ATOM 2249 O O . GLN B 2 251 . 27.686 11.608 21.372 1 36.94 ? O GLN H 239 1 -ATOM 2250 C CB . GLN B 2 251 . 26.245 11.654 24.455 1 39.07 ? CB GLN H 239 1 -ATOM 2251 C CG . GLN B 2 251 . 25.055 12.602 24.42 1 46.65 ? CG GLN H 239 1 -ATOM 2252 C CD . GLN B 2 251 . 23.779 12.227 25.151 1 50 ? CD GLN H 239 1 -ATOM 2253 O OE1 . GLN B 2 251 . 22.741 11.704 24.645 1 50 ? OE1 GLN H 239 1 -ATOM 2254 N NE2 . GLN B 2 251 . 23.876 12.579 26.469 1 50 ? NE2 GLN H 239 1 -ATOM 2255 N N . LYS B 2 252 . 28.583 10.189 22.869 1 37.92 ? N LYS H 240 1 -ATOM 2256 C CA . LYS B 2 252 . 29.905 10.15 22.258 1 38.86 ? CA LYS H 240 1 -ATOM 2257 C C . LYS B 2 252 . 29.916 9.93 20.773 1 39.93 ? C LYS H 240 1 -ATOM 2258 O O . LYS B 2 252 . 30.28 10.931 20.096 1 41.82 ? O LYS H 240 1 -ATOM 2259 C CB . LYS B 2 252 . 30.765 9.126 23.014 1 40.91 ? CB LYS H 240 1 -ATOM 2260 C CG . LYS B 2 252 . 31.664 8.326 22.065 1 42.35 ? CG LYS H 240 1 -ATOM 2261 C CD . LYS B 2 252 . 33.103 8.456 22.567 1 45.79 ? CD LYS H 240 1 -ATOM 2262 C CE . LYS B 2 252 . 33.049 8.447 24.092 1 48.05 ? CE LYS H 240 1 -ATOM 2263 N NZ . LYS B 2 252 . 33.925 9.542 24.633 1 50 ? NZ LYS H 240 1 -ATOM 2264 N N . VAL B 2 253 . 29.472 8.836 20.171 1 40.16 ? N VAL H 241 1 -ATOM 2265 C CA . VAL B 2 253 . 29.577 8.647 18.722 1 40.16 ? CA VAL H 241 1 -ATOM 2266 C C . VAL B 2 253 . 28.865 9.732 17.913 1 40.76 ? C VAL H 241 1 -ATOM 2267 O O . VAL B 2 253 . 29.28 10.023 16.752 1 41.31 ? O VAL H 241 1 -ATOM 2268 C CB . VAL B 2 253 . 29.138 7.277 18.184 1 39.52 ? CB VAL H 241 1 -ATOM 2269 C CG1 . VAL B 2 253 . 29.195 6.153 19.186 1 39.19 ? CG1 VAL H 241 1 -ATOM 2270 C CG2 . VAL B 2 253 . 27.782 7.385 17.493 1 39.67 ? CG2 VAL H 241 1 -ATOM 2271 N N . ILE B 2 254 . 27.775 10.224 18.465 1 41.22 ? N ILE H 242 1 -ATOM 2272 C CA . ILE B 2 254 . 27.028 11.258 17.697 1 42.14 ? CA ILE H 242 1 -ATOM 2273 C C . ILE B 2 254 . 27.876 12.536 17.614 1 43.17 ? C ILE H 242 1 -ATOM 2274 O O . ILE B 2 254 . 27.981 13.123 16.524 1 43.01 ? O ILE H 242 1 -ATOM 2275 C CB . ILE B 2 254 . 25.588 11.535 18.211 1 40.05 ? CB ILE H 242 1 -ATOM 2276 C CG1 . ILE B 2 254 . 24.588 10.411 17.92 1 37.8 ? CG1 ILE H 242 1 -ATOM 2277 C CG2 . ILE B 2 254 . 25.062 12.847 17.552 1 40.72 ? CG2 ILE H 242 1 -ATOM 2278 C CD1 . ILE B 2 254 . 23.342 10.453 18.858 1 38.95 ? CD1 ILE H 242 1 -ATOM 2279 N N . ASP B 2 255 . 28.451 12.909 18.733 1 44.62 ? N ASP H 243 1 -ATOM 2280 C CA . ASP B 2 255 . 29.319 14.115 18.859 1 46.12 ? CA ASP H 243 1 -ATOM 2281 C C . ASP B 2 255 . 30.527 13.895 17.95 1 46.64 ? C ASP H 243 1 -ATOM 2282 O O . ASP B 2 255 . 31.041 14.63 17.114 1 45.81 ? O ASP H 243 1 -ATOM 2283 C CB . ASP B 2 255 . 29.644 14.348 20.316 1 47.41 ? CB ASP H 243 1 -ATOM 2284 C CG . ASP B 2 255 . 31.032 14.56 20.855 1 50 ? CG ASP H 243 1 -ATOM 2285 O OD1 . ASP B 2 255 . 31.916 15.371 20.482 1 50 ? OD1 ASP H 243 1 -ATOM 2286 O OD2 . ASP B 2 255 . 31.244 13.984 21.971 1 50 ? OD2 ASP H 243 1 -ATOM 2287 N N . GLN B 2 256 . 30.914 12.66 18.177 1 48.33 ? N GLN H 244 1 -ATOM 2288 C CA . GLN B 2 256 . 32.102 12.024 17.6 1 49.25 ? CA GLN H 244 1 -ATOM 2289 C C . GLN B 2 256 . 32.105 12.083 16.098 1 49.17 ? C GLN H 244 1 -ATOM 2290 O O . GLN B 2 256 . 33.13 12.416 15.497 1 48.26 ? O GLN H 244 1 -ATOM 2291 C CB . GLN B 2 256 . 32.268 10.657 18.296 1 50 ? CB GLN H 244 1 -ATOM 2292 C CG . GLN B 2 256 . 33.444 10.859 19.302 1 50 ? CG GLN H 244 1 -ATOM 2293 C CD . GLN B 2 256 . 34.623 11.263 18.4 1 50 ? CD GLN H 244 1 -ATOM 2294 O OE1 . GLN B 2 256 . 35.353 12.252 18.641 1 50 ? OE1 GLN H 244 1 -ATOM 2295 N NE2 . GLN B 2 256 . 34.708 10.482 17.281 1 50 ? NE2 GLN H 244 1 -ATOM 2296 N N . PHE B 2 257 . 30.96 11.802 15.495 1 50 ? N PHE H 245 1 -ATOM 2297 C CA . PHE B 2 257 . 31.005 11.865 14.01 1 50 ? CA PHE H 245 1 -ATOM 2298 C C . PHE B 2 257 . 29.584 11.993 13.493 1 50 ? C PHE H 245 1 -ATOM 2299 O O . PHE B 2 257 . 29.337 11.697 12.314 1 50 ? O PHE H 245 1 -ATOM 2300 C CB . PHE B 2 257 . 31.812 10.709 13.428 1 50 ? CB PHE H 245 1 -ATOM 2301 C CG . PHE B 2 257 . 31.852 9.483 14.328 1 50 ? CG PHE H 245 1 -ATOM 2302 C CD1 . PHE B 2 257 . 30.687 8.744 14.55 1 50 ? CD1 PHE H 245 1 -ATOM 2303 C CD2 . PHE B 2 257 . 33.056 9.103 14.926 1 50 ? CD2 PHE H 245 1 -ATOM 2304 C CE1 . PHE B 2 257 . 30.723 7.624 15.385 1 50 ? CE1 PHE H 245 1 -ATOM 2305 C CE2 . PHE B 2 257 . 33.093 7.985 15.764 1 50 ? CE2 PHE H 245 1 -ATOM 2306 C CZ . PHE B 2 257 . 31.926 7.246 15.994 1 50 ? CZ PHE H 245 1 -ATOM 2307 N N . GLY B 2 258 . 28.767 12.634 14.294 1 50 ? N GLY H 246 1 -ATOM 2308 C CA . GLY B 2 258 . 27.37 12.897 14.125 1 50 ? CA GLY H 246 1 -ATOM 2309 C C . GLY B 2 258 . 26.755 13.882 13.164 1 50 ? C GLY H 246 1 -ATOM 2310 O O . GLY B 2 258 . 27.225 14.211 12.043 1 50 ? O GLY H 246 1 -ATOM 2311 N N . GLU B 2 259 . 25.496 14.181 13.572 1 50 ? N GLU H 247 1 -ATOM 2312 C CA . GLU B 2 259 . 24.741 15.202 12.799 1 50 ? CA GLU H 247 1 -ATOM 2313 C C . GLU B 2 259 . 24.807 16.529 13.576 1 50 ? C GLU H 247 1 -ATOM 2314 O O . GLU B 2 259 . 24.499 16.617 14.812 1 50 ? O GLU H 247 1 -ATOM 2315 C CB . GLU B 2 259 . 23.383 14.724 12.327 1 50 ? CB GLU H 247 1 -ATOM 2316 C CG . GLU B 2 259 . 23.263 14.266 10.852 1 50 ? CG GLU H 247 1 -ATOM 2317 C CD . GLU B 2 259 . 22.83 15.225 9.764 1 50 ? CD GLU H 247 1 -ATOM 2318 O OE1 . GLU B 2 259 . 21.662 15.719 9.766 1 50 ? OE1 GLU H 247 1 -ATOM 2319 O OE2 . GLU B 2 259 . 23.554 15.466 8.784 1 50 ? OE2 GLU H 247 1 -ATOM 2320 O OXT . GLU B 2 259 . 25.459 17.422 12.967 1 50 ? OXT GLU H 247 1 -ATOM 2321 N N . ASP C 3 3 . 6.937 -12.664 0.898 1 46.03 ? N ASP I 355 1 -ATOM 2322 C CA . ASP C 3 3 . 5.5 -12.354 1.214 1 46.08 ? CA ASP I 355 1 -ATOM 2323 C C . ASP C 3 3 . 5.388 -10.828 1.134 1 45.32 ? C ASP I 355 1 -ATOM 2324 O O . ASP C 3 3 . 4.426 -10.147 0.746 1 45.22 ? O ASP I 355 1 -ATOM 2325 C CB . ASP C 3 3 . 5.209 -13.067 2.497 1 49.17 ? CB ASP I 355 1 -ATOM 2326 C CG . ASP C 3 3 . 3.833 -12.802 3.067 1 50 ? CG ASP I 355 1 -ATOM 2327 O OD1 . ASP C 3 3 . 3.08 -12.108 2.333 1 50 ? OD1 ASP I 355 1 -ATOM 2328 O OD2 . ASP C 3 3 . 3.572 -13.293 4.191 1 50 ? OD2 ASP I 355 1 -ATOM 2329 N N . PHE C 3 4 . 6.599 -10.297 1.133 1 43.98 ? N PHE I 356 1 -ATOM 2330 C CA . PHE C 3 4 . 6.9 -8.891 1.042 1 42.82 ? CA PHE I 356 1 -ATOM 2331 C C . PHE C 3 4 . 6.73 -8.38 -0.374 1 43.08 ? C PHE I 356 1 -ATOM 2332 O O . PHE C 3 4 . 7.536 -8.688 -1.246 1 42.84 ? O PHE I 356 1 -ATOM 2333 C CB . PHE C 3 4 . 8.326 -8.616 1.54 1 43.01 ? CB PHE I 356 1 -ATOM 2334 C CG . PHE C 3 4 . 8.45 -8.56 3.041 1 40.92 ? CG PHE I 356 1 -ATOM 2335 C CD1 . PHE C 3 4 . 8.741 -9.697 3.762 1 38.57 ? CD1 PHE I 356 1 -ATOM 2336 C CD2 . PHE C 3 4 . 8.346 -7.314 3.667 1 41.29 ? CD2 PHE I 356 1 -ATOM 2337 C CE1 . PHE C 3 4 . 8.775 -9.632 5.135 1 39.12 ? CE1 PHE I 356 1 -ATOM 2338 C CE2 . PHE C 3 4 . 8.386 -7.208 5.05 1 40.95 ? CE2 PHE I 356 1 -ATOM 2339 C CZ . PHE C 3 4 . 8.564 -8.413 5.762 1 42.19 ? CZ PHE I 356 1 -ATOM 2340 N N . GLU C 3 5 . 5.756 -7.485 -0.505 1 43.55 ? N GLU I 357 1 -ATOM 2341 C CA . GLU C 3 5 . 5.559 -6.823 -1.798 1 43.43 ? CA GLU I 357 1 -ATOM 2342 C C . GLU C 3 5 . 6.891 -6.171 -2.156 1 44.52 ? C GLU I 357 1 -ATOM 2343 O O . GLU C 3 5 . 7.757 -5.87 -1.309 1 45.78 ? O GLU I 357 1 -ATOM 2344 C CB . GLU C 3 5 . 4.448 -5.811 -1.818 1 39.69 ? CB GLU I 357 1 -ATOM 2345 C CG . GLU C 3 5 . 4.539 -4.914 -3.05 1 38.19 ? CG GLU I 357 1 -ATOM 2346 C CD . GLU C 3 5 . 3.595 -3.747 -2.906 1 37.95 ? CD GLU I 357 1 -ATOM 2347 O OE1 . GLU C 3 5 . 2.835 -3.531 -1.982 1 36.65 ? OE1 GLU I 357 1 -ATOM 2348 O OE2 . GLU C 3 5 . 3.807 -2.964 -3.844 1 40.79 ? OE2 GLU I 357 1 -ATOM 2349 N N . GLU C 3 6 . 7.066 -5.906 -3.417 1 45.31 ? N GLU I 358 1 -ATOM 2350 C CA . GLU C 3 6 . 8.32 -5.437 -4.001 1 47.06 ? CA GLU I 358 1 -ATOM 2351 C C . GLU C 3 6 . 8.676 -3.989 -3.661 1 48.09 ? C GLU I 358 1 -ATOM 2352 O O . GLU C 3 6 . 7.808 -3.07 -3.705 1 48.18 ? O GLU I 358 1 -ATOM 2353 C CB . GLU C 3 6 . 8.295 -5.599 -5.54 1 48.18 ? CB GLU I 358 1 -ATOM 2354 C CG . GLU C 3 6 . 7.491 -6.703 -6.2 1 49.96 ? CG GLU I 358 1 -ATOM 2355 C CD . GLU C 3 6 . 6.071 -7.079 -5.872 1 50 ? CD GLU I 358 1 -ATOM 2356 O OE1 . GLU C 3 6 . 5.177 -6.335 -6.362 1 50 ? OE1 GLU I 358 1 -ATOM 2357 O OE2 . GLU C 3 6 . 5.728 -8.111 -5.279 1 50 ? OE2 GLU I 358 1 -ATOM 2358 N N . ILE C 3 7 . 9.994 -3.816 -3.53 1 47.35 ? N ILE I 359 1 -ATOM 2359 C CA . ILE C 3 7 . 10.505 -2.469 -3.258 1 48.01 ? CA ILE I 359 1 -ATOM 2360 C C . ILE C 3 7 . 11.181 -1.962 -4.531 1 49.38 ? C ILE I 359 1 -ATOM 2361 O O . ILE C 3 7 . 11.693 -2.886 -5.185 1 50 ? O ILE I 359 1 -ATOM 2362 C CB . ILE C 3 7 . 11.403 -2.474 -1.999 1 46.27 ? CB ILE I 359 1 -ATOM 2363 C CG1 . ILE C 3 7 . 12.757 -1.791 -2.283 1 45.29 ? CG1 ILE I 359 1 -ATOM 2364 C CG2 . ILE C 3 7 . 11.6 -3.934 -1.507 1 49.07 ? CG2 ILE I 359 1 -ATOM 2365 C CD1 . ILE C 3 7 . 13.773 -2.006 -1.123 1 43.8 ? CD1 ILE I 359 1 -ATOM 2366 N N . PRO C 3 8 . 11.151 -0.644 -4.721 1 49.75 ? N PRO I 360 1 -ATOM 2367 C CA . PRO C 3 8 . 11.734 0.1 -5.809 1 49.25 ? CA PRO I 360 1 -ATOM 2368 C C . PRO C 3 8 . 13.264 0.134 -5.851 1 48.77 ? C PRO I 360 1 -ATOM 2369 O O . PRO C 3 8 . 14.01 0.653 -5.02 1 47.95 ? O PRO I 360 1 -ATOM 2370 C CB . PRO C 3 8 . 11.297 1.564 -5.623 1 50 ? CB PRO I 360 1 -ATOM 2371 C CG . PRO C 3 8 . 10.715 1.692 -4.239 1 50 ? CG PRO I 360 1 -ATOM 2372 C CD . PRO C 3 8 . 10.515 0.288 -3.742 1 50 ? CD PRO I 360 1 -ATOM 2373 N N . GLU C 3 9 . 13.7 -0.265 -7.019 1 49.1 ? N GLU I 361 1 -ATOM 2374 C CA . GLU C 3 9 . 15.09 -0.45 -7.403 1 50 ? CA GLU I 361 1 -ATOM 2375 C C . GLU C 3 9 . 15.904 0.791 -7.096 1 50 ? C GLU I 361 1 -ATOM 2376 O O . GLU C 3 9 . 17.163 0.707 -7.069 1 50 ? O GLU I 361 1 -ATOM 2377 N N . GLU C 3 10 . 15.168 1.897 -7.078 1 50 ? N GLU I 362 1 -ATOM 2378 C CA . GLU C 3 10 . 15.865 3.19 -6.8 1 50 ? CA GLU I 362 1 -ATOM 2379 C C . GLU C 3 10 . 16.553 2.903 -5.45 1 50 ? C GLU I 362 1 -ATOM 2380 O O . GLU C 3 10 . 17.607 3.478 -5.187 1 49.76 ? O GLU I 362 1 -ATOM 2381 C CB . GLU C 3 10 . 14.987 4.444 -6.725 1 50 ? CB GLU I 362 1 -ATOM 2382 C CG . GLU C 3 10 . 13.745 4.485 -5.866 1 50 ? CG GLU I 362 1 -ATOM 2383 C CD . GLU C 3 10 . 12.384 5.002 -6.141 1 50 ? CD GLU I 362 1 -ATOM 2384 O OE1 . GLU C 3 10 . 11.477 4.524 -6.854 1 50 ? OE1 GLU I 362 1 -ATOM 2385 O OE2 . GLU C 3 10 . 12.157 5.993 -5.369 1 50 ? OE2 GLU I 362 1 -HETATM 2386 N N . TYS C 3 11 . 16.02 1.856 -4.818 1 49.27 ? N TYS I 363 1 -HETATM 2387 C CA . TYS C 3 11 . 16.457 1.399 -3.517 1 49.34 ? CA TYS I 363 1 -HETATM 2388 C CB . TYS C 3 11 . 15.181 1.357 -2.643 1 47.73 ? CB TYS I 363 1 -HETATM 2389 C CG . TYS C 3 11 . 14.427 2.655 -2.553 1 45.87 ? CG TYS I 363 1 -HETATM 2390 C CD1 . TYS C 3 11 . 15.114 3.863 -2.368 1 45.18 ? CD1 TYS I 363 1 -HETATM 2391 C CD2 . TYS C 3 11 . 13.036 2.631 -2.645 1 44.82 ? CD2 TYS I 363 1 -HETATM 2392 C CE1 . TYS C 3 11 . 14.418 5.069 -2.27 1 43.22 ? CE1 TYS I 363 1 -HETATM 2393 C CE2 . TYS C 3 11 . 12.343 3.819 -2.535 1 44.9 ? CE2 TYS I 363 1 -HETATM 2394 C CZ . TYS C 3 11 . 13.047 5.006 -2.336 1 43.88 ? CZ TYS I 363 1 -HETATM 2395 O OH . TYS C 3 11 . 12.253 6.115 -2.214 1 46.8 ? OH TYS I 363 1 -HETATM 2396 S S . TYS C 3 11 . 11.097 6.113 -0.985 1 47.79 ? S TYS I 363 1 -HETATM 2397 O O1 . TYS C 3 11 . 10.482 4.831 -0.942 1 45.55 ? O1 TYS I 363 1 -HETATM 2398 O O2 . TYS C 3 11 . 12.08 6.58 -0.02 1 47.82 ? O2 TYS I 363 1 -HETATM 2399 O O3 . TYS C 3 11 . 10.112 7.138 -1.327 1 48.48 ? O3 TYS I 363 1 -HETATM 2400 C C . TYS C 3 11 . 17.028 -0.009 -3.34 1 49.88 ? C TYS I 363 1 -HETATM 2401 O O . TYS C 3 11 . 16.794 -0.545 -2.23 1 50 ? O TYS I 363 1 -ATOM 2402 N N . LEU C 3 12 . 17.67 -0.607 -4.29 1 49.53 ? N LEU I 364 1 -ATOM 2403 C CA . LEU C 3 12 . 18.245 -1.948 -4.191 1 49.95 ? CA LEU I 364 1 -ATOM 2404 C C . LEU C 3 12 . 19.67 -1.856 -4.743 1 50 ? C LEU I 364 1 -ATOM 2405 O O . LEU C 3 12 . 20.275 -0.77 -4.485 1 50 ? O LEU I 364 1 -ATOM 2406 C CB . LEU C 3 12 . 17.277 -2.911 -4.848 1 48.41 ? CB LEU I 364 1 -ATOM 2407 C CG . LEU C 3 12 . 16.111 -3.374 -3.978 1 48.9 ? CG LEU I 364 1 -ATOM 2408 C CD1 . LEU C 3 12 . 15.114 -4.239 -4.741 1 48.85 ? CD1 LEU I 364 1 -ATOM 2409 C CD2 . LEU C 3 12 . 16.64 -4.197 -2.805 1 47.88 ? CD2 LEU I 364 1 -HETATM 2410 O O4 . 34H D 4 1 . 13.094 -17.697 23.835 1 31.86 ? O4 34H J 1 1 -HETATM 2411 C C9 . 34H D 4 1 . 15.602 -20.359 24.51 1 29.85 ? C9 34H J 1 1 -HETATM 2412 C C8 . 34H D 4 1 . 15.995 -20.508 25.818 1 29.73 ? C8 34H J 1 1 -HETATM 2413 C C7 . 34H D 4 1 . 15.068 -20.723 26.755 1 29.79 ? C7 34H J 1 1 -HETATM 2414 C C6 . 34H D 4 1 . 13.742 -20.812 26.421 1 28.89 ? C6 34H J 1 1 -HETATM 2415 C C5 . 34H D 4 1 . 13.354 -20.706 25.121 1 29.23 ? C5 34H J 1 1 -HETATM 2416 C C4 . 34H D 4 1 . 14.269 -20.383 24.194 1 29.89 ? C4 34H J 1 1 -HETATM 2417 O O3 . 34H D 4 1 . 15.406 -20.917 28.112 1 30.51 ? O3 34H J 1 1 -HETATM 2418 C C3 . 34H D 4 1 . 13.791 -19.843 22.873 1 31.04 ? C3 34H J 1 1 -HETATM 2419 C C2 . 34H D 4 1 . 13.818 -18.307 22.736 1 32.06 ? C2 34H J 1 1 -HETATM 2420 C C1 . 34H D 4 1 . 15.236 -17.781 22.754 1 32.42 ? C1 34H J 1 1 -HETATM 2421 O O2 . 34H D 4 1 . 16.115 -18.127 21.955 1 33.11 ? O2 34H J 1 1 -ATOM 2422 N N . LEU D 4 2 . 15.422 -16.873 23.701 1 33.67 ? N LEU J 2 1 -ATOM 2423 C CA . LEU D 4 2 . 16.566 -16.038 24.045 1 34.16 ? CA LEU J 2 1 -ATOM 2424 C C . LEU D 4 2 . 16.445 -14.947 23.015 1 33.75 ? C LEU J 2 1 -ATOM 2425 O O . LEU D 4 2 . 15.451 -14.204 23.115 1 33.64 ? O LEU J 2 1 -ATOM 2426 C CB . LEU D 4 2 . 17.767 -16.95 24.218 1 35.33 ? CB LEU J 2 1 -ATOM 2427 C CG . LEU D 4 2 . 17.658 -17.686 25.547 1 33.72 ? CG LEU J 2 1 -ATOM 2428 C CD1 . LEU D 4 2 . 18.588 -17.049 26.554 1 34.12 ? CD1 LEU J 2 1 -ATOM 2429 C CD2 . LEU D 4 2 . 16.243 -17.585 26.122 1 32.53 ? CD2 LEU J 2 1 -HETATM 2430 O O . PRJ D 4 3 . 15.522 -13.947 19.768 1 35.93 ? O PRJ J 3 1 -HETATM 2431 N N . PRJ D 4 3 . 17.262 -14.761 21.976 1 34.05 ? N PRJ J 3 1 -HETATM 2432 C C . PRJ D 4 3 . 16.007 -13.108 20.529 1 34.79 ? C PRJ J 3 1 -HETATM 2433 C CA . PRJ D 4 3 . 17.151 -13.511 21.311 1 34.56 ? CA PRJ J 3 1 -HETATM 2434 C CB . PRJ D 4 3 . 18.536 -13.275 20.659 1 34.43 ? CB PRJ J 3 1 -HETATM 2435 C CG . PRJ D 4 3 . 19.539 -14.175 21.363 1 34.37 ? CG PRJ J 3 1 -HETATM 2436 C C11 . PRJ D 4 3 . 20.841 -14.395 20.604 1 35 ? C11 PRJ J 3 1 -HETATM 2437 C C12 . PRJ D 4 3 . 20.607 -15.131 19.215 1 35.19 ? C12 PRJ J 3 1 -HETATM 2438 C C13 . PRJ D 4 3 . 19.73 -16.368 19.498 1 35.81 ? C13 PRJ J 3 1 -HETATM 2439 C C14 . PRJ D 4 3 . 18.328 -16.047 20.146 1 35.43 ? C14 PRJ J 3 1 -HETATM 2440 C CD . PRJ D 4 3 . 18.518 -15.334 21.587 1 34.9 ? CD PRJ J 3 1 -HETATM 2441 O O2 . PRJ D 4 3 . 20.409 -17.461 20.107 1 36.25 ? O2 PRJ J 3 1 -HETATM 2442 O O . OAR D 4 4 . 15.761 -11.052 17.937 1 33.76 ? O OAR J 4 1 -HETATM 2443 N N1 . OAR D 4 4 . 15.461 -11.891 20.571 1 33.49 ? N1 OAR J 4 1 -HETATM 2444 N NE . OAR D 4 4 . 11.498 -12.16 23.68 1 29.99 ? NE OAR J 4 1 -HETATM 2445 N NH1 . OAR D 4 4 . 10.367 -10.548 25.008 1 29.07 ? NH1 OAR J 4 1 -HETATM 2446 N NH2 . OAR D 4 4 . 10.157 -12.834 25.468 1 29.35 ? NH2 OAR J 4 1 -HETATM 2447 C CA . OAR D 4 4 . 14.254 -11.607 19.907 1 33.28 ? CA OAR J 4 1 -HETATM 2448 C CB . OAR D 4 4 . 13.209 -10.809 20.739 1 32 ? CB OAR J 4 1 -HETATM 2449 C CG . OAR D 4 4 . 13.174 -11.783 21.908 1 30.27 ? CG OAR J 4 1 -HETATM 2450 C CD . OAR D 4 4 . 12.218 -11.1 22.929 1 29.94 ? CD OAR J 4 1 -HETATM 2451 C CZ . OAR D 4 4 . 10.674 -11.833 24.72 1 29.47 ? CZ OAR J 4 1 -HETATM 2452 C C . OAR D 4 4 . 14.551 -10.698 18.713 1 33.28 ? C OAR J 4 1 -HETATM 2453 NA NA . NA E 5 . . 5.884 -13.758 30.449 1 28 ? NA NA H 626 1 -HETATM 2454 O O . HOH F 6 . . -6.319 6.515 26.148 1 30.26 ? O HOH L 471 1 -HETATM 2455 O O . HOH F 6 . . -6.164 13.032 13.311 0.56 32.48 ? O HOH L 487 1 -HETATM 2456 O O . HOH F 6 . . -2.648 1.026 33.911 0.71 27.25 ? O HOH L 493 1 -HETATM 2457 O O . HOH F 6 . . -1.991 12.315 22.956 0.99 23.2 ? O HOH L 495 1 -HETATM 2458 O O . HOH F 6 . . -5.35 15.911 24.633 0.5 31.96 ? O HOH L 499 1 -HETATM 2459 O O . HOH F 6 . . 16.955 17.82 28.127 0.63 18.45 ? O HOH L 507 1 -HETATM 2460 O O . HOH F 6 . . -4.997 10.644 15.082 0.98 28.89 ? O HOH L 508 1 -HETATM 2461 O O . HOH F 6 . . -3.337 -0.227 21.992 0.76 42.58 ? O HOH L 510 1 -HETATM 2462 O O . HOH F 6 . . -4.086 19.659 12.755 1 34.16 ? O HOH L 517 1 -HETATM 2463 O O . HOH F 6 . . -9.113 11.636 21.499 0.84 34.05 ? O HOH L 519 1 -HETATM 2464 O O . HOH F 6 . . -8.608 7.801 25.948 0.32 26.39 ? O HOH L 520 1 -HETATM 2465 O O . HOH F 6 . . -9.958 4.797 27.659 0.63 28.38 ? O HOH L 525 1 -HETATM 2466 O O . HOH F 6 . . -2.315 17.581 37.247 0.77 29.4 ? O HOH L 528 1 -HETATM 2467 O O . HOH F 6 . . -7.749 10.252 17.715 0.72 43.15 ? O HOH L 533 1 -HETATM 2468 O O . HOH F 6 . . 21.419 20.633 20.468 0.73 37.51 ? O HOH L 542 1 -HETATM 2469 O O . HOH F 6 . . 14.075 15.311 28.475 0.92 35.35 ? O HOH L 543 1 -HETATM 2470 O O . HOH F 6 . . 16.893 16.12 13.849 0.83 25.94 ? O HOH L 549 1 -HETATM 2471 O O . HOH F 6 . . 13.674 19.446 13.528 0.54 37.74 ? O HOH L 558 1 -HETATM 2472 O O . HOH F 6 . . -0.087 17.797 13.225 0.77 34.75 ? O HOH L 563 1 -HETATM 2473 O O . HOH F 6 . . 1.918 1.564 39.263 0.63 32.46 ? O HOH L 565 1 -HETATM 2474 O O . HOH F 6 . . -7.937 7.415 19.645 0.8 34.16 ? O HOH L 567 1 -HETATM 2475 O O . HOH F 6 . . 12.524 22.794 15.565 0.51 23.96 ? O HOH L 570 1 -HETATM 2476 O O . HOH F 6 . . 17.459 21.267 18.332 0.32 10.21 ? O HOH L 573 1 -HETATM 2477 O O . HOH F 6 . . -9.447 7.887 23.63 0.67 43.17 ? O HOH L 575 1 -HETATM 2478 O O . HOH F 6 . . -6.62 8.619 33.467 0.63 30.62 ? O HOH L 577 1 -HETATM 2479 O O . HOH F 6 . . 13.664 24.877 18.003 0.42 21.06 ? O HOH L 585 1 -HETATM 2480 O O . HOH G 6 . . 12.284 -8.265 25.198 1 11.36 ? O HOH H 450 1 -HETATM 2481 O O . HOH G 6 . . 9.909 -3.968 16.686 1 21.92 ? O HOH H 451 1 -HETATM 2482 O O . HOH G 6 . . 16.766 3.715 30.123 1 19.4 ? O HOH H 452 1 -HETATM 2483 O O . HOH G 6 . . 1.753 5.221 -0.486 0.9 31.38 ? O HOH H 453 1 -HETATM 2484 O O . HOH G 6 . . 21.919 -4.857 27.685 1 23.17 ? O HOH H 454 1 -HETATM 2485 O O . HOH G 6 . . 1.713 4.744 10.637 0.98 18.48 ? O HOH H 455 1 -HETATM 2486 O O . HOH G 6 . . 0.512 1.11 -0.67 0.9 33.34 ? O HOH H 456 1 -HETATM 2487 O O . HOH G 6 . . 1.704 10.696 14.069 1 24.26 ? O HOH H 457 1 -HETATM 2488 O O . HOH G 6 . . 8.679 2.013 9.669 1 20.89 ? O HOH H 458 1 -HETATM 2489 O O . HOH G 6 . . 6.016 3.467 20.41 1 23.48 ? O HOH H 459 1 -HETATM 2490 O O . HOH G 6 . . 21.898 0.545 3.233 1 29.94 ? O HOH H 460 1 -HETATM 2491 O O . HOH G 6 . . 13.156 -14.641 31.531 1 20.76 ? O HOH H 461 1 -HETATM 2492 O O . HOH G 6 . . 2.499 13.95 6.1 0.73 38.8 ? O HOH H 463 1 -HETATM 2493 O O . HOH G 6 . . 4.866 -7.14 35.912 1 24.1 ? O HOH H 464 1 -HETATM 2494 O O . HOH G 6 . . 10.093 14.707 31.365 1 27.06 ? O HOH H 465 1 -HETATM 2495 O O . HOH G 6 . . 9.441 -5.299 14.524 1 14.52 ? O HOH H 466 1 -HETATM 2496 O O . HOH G 6 . . 13.32 18.371 24.439 0.92 36.53 ? O HOH H 467 1 -HETATM 2497 O O . HOH G 6 . . 7.314 10.307 1.687 0.66 27.73 ? O HOH H 468 1 -HETATM 2498 O O . HOH G 6 . . 8.284 -8.123 27.668 1 21.24 ? O HOH H 469 1 -HETATM 2499 O O . HOH G 6 . . 30.647 -13.066 29.842 1 26.15 ? O HOH H 470 1 -HETATM 2500 O O . HOH G 6 . . 5.684 -4.737 37.971 0.99 31.27 ? O HOH H 472 1 -HETATM 2501 O O . HOH G 6 . . -4.422 8.823 13.402 1 31.2 ? O HOH H 473 1 -HETATM 2502 O O . HOH G 6 . . 5.868 10.423 5.505 1 25.63 ? O HOH H 474 1 -HETATM 2503 O O . HOH G 6 . . 31.774 -10.511 23.519 0.64 21.43 ? O HOH H 475 1 -HETATM 2504 O O . HOH G 6 . . 6.739 15.522 12.244 0.96 27.13 ? O HOH H 476 1 -HETATM 2505 O O . HOH G 6 . . -2.836 -3.462 35.369 0.82 32.57 ? O HOH H 477 1 -HETATM 2506 O O . HOH G 6 . . 27.491 0.322 30.735 0.83 25.69 ? O HOH H 478 1 -HETATM 2507 O O . HOH G 6 . . 8.114 5.464 11.282 0.99 32.17 ? O HOH H 479 1 -HETATM 2508 O O . HOH G 6 . . 20.71 -6.89 26.559 1 26.09 ? O HOH H 480 1 -HETATM 2509 O O . HOH G 6 . . 0.167 -13.57 32.916 0.7 34.44 ? O HOH H 481 1 -HETATM 2510 O O . HOH G 6 . . 3.184 -10.515 29.749 0.68 18.67 ? O HOH H 482 1 -HETATM 2511 O O . HOH G 6 . . 26.991 -0.499 38.119 1 42.67 ? O HOH H 483 1 -HETATM 2512 O O . HOH G 6 . . 10.805 -21.521 29.86 0.79 35.33 ? O HOH H 484 1 -HETATM 2513 O O . HOH G 6 . . 1.442 -0.455 -3.108 0.69 35.18 ? O HOH H 485 1 -HETATM 2514 O O . HOH G 6 . . 6.885 -21.743 31.219 1 44.44 ? O HOH H 486 1 -HETATM 2515 O O . HOH G 6 . . 6.099 1.387 -7.295 0.4 24.41 ? O HOH H 488 1 -HETATM 2516 O O . HOH G 6 . . 31.662 -0.755 11.667 1 49.87 ? O HOH H 489 1 -HETATM 2517 O O . HOH G 6 . . 3.365 3.834 13.436 1 23.94 ? O HOH H 490 1 -HETATM 2518 O O . HOH G 6 . . 1.128 2.558 12.764 1 23.32 ? O HOH H 492 1 -HETATM 2519 O O . HOH G 6 . . 3.941 6.143 11.415 1 23.79 ? O HOH H 496 1 -HETATM 2520 O O . HOH G 6 . . 3.976 7.326 -6.454 1 42.08 ? O HOH H 497 1 -HETATM 2521 O O . HOH G 6 . . 28.063 -5.407 11.952 0.89 40.1 ? O HOH H 498 1 -HETATM 2522 O O . HOH G 6 . . 1.924 4.988 8.266 1 30.33 ? O HOH H 500 1 -HETATM 2523 O O . HOH G 6 . . 21.675 13.603 30.375 0.69 32.97 ? O HOH H 501 1 -HETATM 2524 O O . HOH G 6 . . 5.8 19.712 25.234 0.76 24.83 ? O HOH H 502 1 -HETATM 2525 O O . HOH G 6 . . 5.328 -11.607 32.358 0.81 22.71 ? O HOH H 503 1 -HETATM 2526 O O . HOH G 6 . . -5.529 -13.698 27.472 0.89 34.67 ? O HOH H 504 1 -HETATM 2527 O O . HOH G 6 . . 3.565 4.968 20.854 1 26.8 ? O HOH H 505 1 -HETATM 2528 O O . HOH G 6 . . -0.235 -8.971 18.843 1 22.68 ? O HOH H 506 1 -HETATM 2529 O O . HOH G 6 . . 26.628 -5.056 35.121 0.7 32.79 ? O HOH H 511 1 -HETATM 2530 O O . HOH G 6 . . 12.758 -15.348 6.772 0.88 36.24 ? O HOH H 512 1 -HETATM 2531 O O . HOH G 6 . . 32.416 -7.47 21.231 0.85 45.66 ? O HOH H 513 1 -HETATM 2532 O O . HOH G 6 . . -3.13 -7.655 12.077 0.99 35.62 ? O HOH H 514 1 -HETATM 2533 O O . HOH G 6 . . 31.455 1.655 17.416 0.55 19.05 ? O HOH H 515 1 -HETATM 2534 O O . HOH G 6 . . 17.379 9.245 3.739 0.67 27.97 ? O HOH H 516 1 -HETATM 2535 O O . HOH G 6 . . 6.059 23.964 25.373 0.68 31.46 ? O HOH H 518 1 -HETATM 2536 O O . HOH G 6 . . 5.729 -22.865 22.062 0.96 46.7 ? O HOH H 521 1 -HETATM 2537 O O . HOH G 6 . . -2.54 -3.72 23.614 0.61 30.51 ? O HOH H 522 1 -HETATM 2538 O O . HOH G 6 . . -4.273 -9.761 28.086 0.82 34.5 ? O HOH H 523 1 -HETATM 2539 O O . HOH G 6 . . -0.623 16.945 24.322 0.63 20.96 ? O HOH H 524 1 -HETATM 2540 O O . HOH G 6 . . 26.266 -10.383 -0.73 0.71 44.98 ? O HOH H 526 1 -HETATM 2541 O O . HOH G 6 . . 4.385 -17.796 14.691 0.57 23.97 ? O HOH H 527 1 -HETATM 2542 O O . HOH G 6 . . 15.403 12.468 20.042 1 22.31 ? O HOH H 529 1 -HETATM 2543 O O . HOH G 6 . . 15.199 1.159 19.141 1 21.72 ? O HOH H 530 1 -HETATM 2544 O O . HOH G 6 . . -6.078 -5.801 17.467 1 24.72 ? O HOH H 531 1 -HETATM 2545 O O . HOH G 6 . . 12.397 -12.76 42.731 0.96 29.93 ? O HOH H 532 1 -HETATM 2546 O O . HOH G 6 . . 26.032 4.328 33.532 0.92 32.7 ? O HOH H 534 1 -HETATM 2547 O O . HOH G 6 . . 0.62 -1.384 36.554 1 34.99 ? O HOH H 535 1 -HETATM 2548 O O . HOH G 6 . . 5.29 4.048 12.161 1 18.1 ? O HOH H 536 1 -HETATM 2549 O O . HOH G 6 . . 17.129 -15.067 13.755 0.64 14.77 ? O HOH H 538 1 -HETATM 2550 O O . HOH G 6 . . -8.909 -5.467 32.814 0.49 28.12 ? O HOH H 539 1 -HETATM 2551 O O . HOH G 6 . . 6.444 -10.444 29.351 0.84 33.14 ? O HOH H 540 1 -HETATM 2552 O O . HOH G 6 . . 29.732 -8.424 30.697 0.63 24.42 ? O HOH H 541 1 -HETATM 2553 O O . HOH G 6 . . 31.165 -5.278 18.949 0.92 30.42 ? O HOH H 544 1 -HETATM 2554 O O . HOH G 6 . . 3.438 -19.151 25.563 0.98 40.47 ? O HOH H 545 1 -HETATM 2555 O O . HOH G 6 . . 29.909 0.205 29.478 0.7 21.68 ? O HOH H 546 1 -HETATM 2556 O O . HOH G 6 . . -6.134 -0.788 16.864 0.56 35.28 ? O HOH H 547 1 -HETATM 2557 O O . HOH G 6 . . 32.673 -8.346 10.476 0.81 45.35 ? O HOH H 550 1 -HETATM 2558 O O . HOH G 6 . . 25.507 -15.684 22.227 0.48 24.45 ? O HOH H 551 1 -HETATM 2559 O O . HOH G 6 . . 38.67 -16.487 21.841 0.5 24.76 ? O HOH H 552 1 -HETATM 2560 O O . HOH G 6 . . 7.564 -24.697 30.518 0.59 16.55 ? O HOH H 554 1 -HETATM 2561 O O . HOH G 6 . . 32.446 12.292 22.918 0.71 39.43 ? O HOH H 555 1 -HETATM 2562 O O . HOH G 6 . . -4.054 -16.653 28.782 0.8 36.59 ? O HOH H 556 1 -HETATM 2563 O O . HOH G 6 . . 7.698 19.416 8.916 0.61 46.44 ? O HOH H 557 1 -HETATM 2564 O O . HOH G 6 . . 28.822 -11.147 6.791 0.65 35.37 ? O HOH H 559 1 -HETATM 2565 O O . HOH G 6 . . 6.911 9.007 38.789 1 28.76 ? O HOH H 560 1 -HETATM 2566 O O . HOH G 6 . . 35.849 -0.182 26.659 0.5 45.44 ? O HOH H 561 1 -HETATM 2567 O O . HOH G 6 . . 32.121 3.619 19.911 0.63 33.81 ? O HOH H 562 1 -HETATM 2568 O O . HOH G 6 . . -4.493 -12.429 14.434 0.52 30.59 ? O HOH H 564 1 -HETATM 2569 O O . HOH G 6 . . 23.116 -7.224 -0.728 0.46 26.5 ? O HOH H 566 1 -HETATM 2570 O O . HOH G 6 . . 14.542 17.213 8.817 1 50 ? O HOH H 568 1 -HETATM 2571 O O . HOH G 6 . . 11.955 -12.44 11.986 0.28 10 ? O HOH H 569 1 -HETATM 2572 O O . HOH G 6 . . 16.263 4.67 38.025 0.85 49.16 ? O HOH H 571 1 -HETATM 2573 O O . HOH G 6 . . 5.804 11.796 -9.476 0.47 27.24 ? O HOH H 572 1 -HETATM 2574 O O . HOH G 6 . . -4.046 -5.298 7.915 0.57 16.21 ? O HOH H 574 1 -HETATM 2575 O O . HOH G 6 . . 4.057 0.435 -6.392 0.54 27.33 ? O HOH H 576 1 -HETATM 2576 O O . HOH G 6 . . 23.776 -13.886 8.042 0.73 23.97 ? O HOH H 578 1 -HETATM 2577 O O . HOH G 6 . . 3.096 16.64 10.583 0.77 31.46 ? O HOH H 579 1 -HETATM 2578 O O . HOH G 6 . . 11.151 -24.657 26.626 0.59 33.9 ? O HOH H 580 1 -HETATM 2579 O O . HOH G 6 . . -0.651 -4.62 5.389 1 29.8 ? O HOH H 581 1 -HETATM 2580 O O . HOH G 6 . . 3.82 -8.347 15.754 0.83 19.18 ? O HOH H 582 1 -HETATM 2581 O O . HOH G 6 . . 7.765 -14.09 39.546 0.81 19.98 ? O HOH H 583 1 -HETATM 2582 O O . HOH G 6 . . 26.827 -9.539 36.184 0.93 25.39 ? O HOH H 584 1 -HETATM 2583 O O . HOH G 6 . . 17.395 4.758 35.882 0.55 41.14 ? O HOH H 586 1 -HETATM 2584 O O . HOH G 6 . . 22.438 8.318 37.171 0.76 27.54 ? O HOH H 587 1 -HETATM 2585 O O . HOH G 6 . . 32.503 1.413 28.168 0.74 29.71 ? O HOH H 588 1 -HETATM 2586 O O . HOH G 6 . . 32.134 3.698 25.857 0.4 21.84 ? O HOH H 589 1 -HETATM 2587 O O . HOH G 6 . . 33.237 -6.846 25.915 0.54 36.35 ? O HOH H 590 1 -HETATM 2588 O O . HOH G 6 . . 10.006 -15.934 5.536 0.53 25.56 ? O HOH H 593 1 -HETATM 2589 O O . HOH G 6 . . 10.153 18.626 13.967 0.91 48.56 ? O HOH H 594 1 -HETATM 2590 O O . HOH G 6 . . -1.812 -7.317 27.016 0.68 17.73 ? O HOH H 595 1 -HETATM 2591 O O . HOH G 6 . . 2.873 -20.425 29.249 0.78 48.27 ? O HOH H 596 1 -HETATM 2592 O O . HOH G 6 . . 0.249 16.575 6.496 0.61 47.28 ? O HOH H 597 1 -HETATM 2593 O O . HOH G 6 . . 9.316 21.21 21.324 0.81 37.69 ? O HOH H 598 1 -HETATM 2594 O O . HOH G 6 . . 37.88 -3.651 29.107 0.79 43.58 ? O HOH H 599 1 -HETATM 2595 O O . HOH G 6 . . 4.897 10.785 -5.206 0.58 18.72 ? O HOH H 600 1 -HETATM 2596 O O . HOH G 6 . . 17.134 -12.421 43.321 0.77 27.95 ? O HOH H 601 1 -HETATM 2597 O O . HOH G 6 . . 10.806 12.214 -0.124 0.55 15.56 ? O HOH H 602 1 -HETATM 2598 O O . HOH G 6 . . 10.579 -18.673 19.863 0.46 29.73 ? O HOH H 603 1 -HETATM 2599 O O . HOH G 6 . . -2.04 -14.935 21.232 0.47 11.62 ? O HOH H 604 1 -HETATM 2600 O O . HOH G 6 . . -7.651 -13.726 32.38 0.62 50 ? O HOH H 605 1 -HETATM 2601 O O . HOH G 6 . . 36.556 -11.411 19.398 0.57 25.67 ? O HOH H 606 1 -HETATM 2602 O O . HOH G 6 . . 33.275 -9.066 18.618 0.48 35.32 ? O HOH H 607 1 -HETATM 2603 O O . HOH G 6 . . 26.776 -19.176 21.422 0.81 22.88 ? O HOH H 608 1 -HETATM 2604 O O . HOH G 6 . . 24.332 -22.366 16.867 0.55 38.8 ? O HOH H 609 1 -HETATM 2605 O O . HOH G 6 . . 22.089 -15.719 25.31 0.92 25.83 ? O HOH H 610 1 -HETATM 2606 O O . HOH G 6 . . 31.26 6.881 28.876 0.54 21.35 ? O HOH H 611 1 -HETATM 2607 O O . HOH G 6 . . 32.856 1.395 7.233 0.84 37.6 ? O HOH H 613 1 -HETATM 2608 O O . HOH G 6 . . 7.305 -4.547 1.044 0.91 25.89 ? O HOH H 615 1 -HETATM 2609 O O . HOH G 6 . . 33.356 4.743 22.129 0.88 47.31 ? O HOH H 616 1 -HETATM 2610 O O . HOH G 6 . . 2.457 -2.887 40.452 0.78 50 ? O HOH H 617 1 -HETATM 2611 O O . HOH G 6 . . 7.362 10.217 -8.227 0.37 10.77 ? O HOH H 618 1 -HETATM 2612 O O . HOH G 6 . . 32.765 1.527 14.066 0.62 26.76 ? O HOH H 619 1 -HETATM 2613 O O . HOH G 6 . . 36.238 -1.409 24.495 0.8 46.03 ? O HOH H 620 1 -HETATM 2614 O O . HOH G 6 . . -2.161 -11.081 18.66 0.86 46.07 ? O HOH H 621 1 -HETATM 2615 O O . HOH G 6 . . 11.607 17.763 8.266 0.85 34.07 ? O HOH H 622 1 -HETATM 2616 O O . HOH G 6 . . 8.317 18.042 11.272 0.57 15.32 ? O HOH H 623 1 -HETATM 2617 O O . HOH G 6 . . 24.023 -20.492 19.471 0.89 45.14 ? O HOH H 625 1 -HETATM 2618 O O . HOH H 6 . . 3.379 -7.946 -4.821 0.82 35.94 ? O HOH I 491 1 -HETATM 2619 O O . HOH H 6 . . 3.046 -10.389 -6.708 0.89 32.75 ? O HOH I 509 1 -HETATM 2620 O O . HOH H 6 . . 10.26 -10.647 -4.845 0.26 15.61 ? O HOH I 537 1 -HETATM 2621 O O . HOH H 6 . . 12.095 6.92 -10.176 0.45 16.6 ? O HOH I 548 1 -HETATM 2622 O O . HOH H 6 . . 5.93 -12.299 5.008 1 43.15 ? O HOH I 553 1 -HETATM 2623 O O . HOH H 6 . . 13.359 8.466 -7.705 0.72 42.51 ? O HOH I 614 1 -HETATM 2624 O O . HOH I 6 . . 12.73 -14.481 21.246 0.88 29.16 ? O HOH J 462 1 -HETATM 2625 O O . HOH I 6 . . 16.9 -19.727 18.548 0.51 37.41 ? O HOH J 494 1 -HETATM 2626 O O . HOH I 6 . . 12.628 -16.596 19.561 0.56 31.6 ? O HOH J 591 1 -HETATM 2627 O O . HOH I 6 . . 13.554 -21.496 17.968 0.51 48.83 ? O HOH J 592 1 -HETATM 2628 O O . HOH I 6 . . 21.571 -21.131 21.762 0.46 36.84 ? O HOH J 612 1 -HETATM 2629 O O . HOH I 6 . . 21.076 -20.895 24.207 0.69 36.43 ? O HOH J 624 1 -# -_coordinate_server_stats.molecule_cached no -_coordinate_server_stats.io_time_ms 11 -_coordinate_server_stats.parse_time_ms 17 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 43 +ATOM 1 N N THR 1 . H A 1 18.623 12.307 19.412 1 50 ? N THR 1 L 1 +ATOM 2 C CA THR 1 . H A 1 20.041 12.712 19.207 1 50 ? CA THR 1 L 1 +ATOM 3 C C THR 1 . H A 1 20.571 12.573 20.629 1 50 ? C THR 1 L 1 +ATOM 4 O O THR 1 . H A 1 20.073 11.685 21.378 1 50 ? O THR 1 L 1 +ATOM 5 C CB THR 1 . H A 1 20.102 14.126 18.558 1 50 ? CB THR 1 L 1 +ATOM 6 O OG1 THR 1 . H A 1 18.827 14.389 17.843 1 50 ? OG1 THR 1 L 1 +ATOM 7 C CG2 THR 1 . H A 1 21.263 14.373 17.59 1 50 ? CG2 THR 1 L 1 +ATOM 8 N N PHE 2 . G A 1 21.378 13.504 21.058 1 50 ? N PHE 1 L 1 +ATOM 9 C CA PHE 2 . G A 1 21.935 13.569 22.426 1 50 ? CA PHE 1 L 1 +ATOM 10 C C PHE 2 . G A 1 20.897 13.862 23.525 1 50 ? C PHE 1 L 1 +ATOM 11 O O PHE 2 . G A 1 19.694 13.568 23.537 1 50 ? O PHE 1 L 1 +ATOM 12 C CB PHE 2 . G A 1 22.891 14.812 22.371 1 50 ? CB PHE 1 L 1 +ATOM 13 C CG PHE 2 . G A 1 21.946 15.954 22.007 1 50 ? CG PHE 1 L 1 +ATOM 14 C CD1 PHE 2 . G A 1 21.497 16.061 20.69 1 50 ? CD1 PHE 1 L 1 +ATOM 15 C CD2 PHE 2 . G A 1 21.388 16.717 23.038 1 50 ? CD2 PHE 1 L 1 +ATOM 16 C CE1 PHE 2 . G A 1 20.53 17.023 20.379 1 50 ? CE1 PHE 1 L 1 +ATOM 17 C CE2 PHE 2 . G A 1 20.44 17.688 22.743 1 50 ? CE2 PHE 1 L 1 +ATOM 18 C CZ PHE 2 . G A 1 20.007 17.819 21.422 1 50 ? CZ PHE 1 L 1 +ATOM 19 N N GLY 3 . F A 1 21.437 14.689 24.438 1 50 ? N GLY 1 L 1 +ATOM 20 C CA GLY 3 . F A 1 20.688 15.16 25.621 1 50 ? CA GLY 1 L 1 +ATOM 21 C C GLY 3 . F A 1 19.196 15.046 25.295 1 50 ? C GLY 1 L 1 +ATOM 22 O O GLY 3 . F A 1 18.836 15.838 24.394 1 50 ? O GLY 1 L 1 +ATOM 23 N N SER 4 . E A 1 18.507 14.088 25.873 1 50 ? N SER 1 L 1 +ATOM 24 C CA SER 4 . E A 1 17.067 13.874 25.698 1 50 ? CA SER 1 L 1 +ATOM 25 C C SER 4 . E A 1 16.581 14.235 24.291 1 50 ? C SER 1 L 1 +ATOM 26 O O SER 4 . E A 1 16.059 15.36 24.045 1 50 ? O SER 1 L 1 +ATOM 27 C CB SER 4 . E A 1 16.181 14.567 26.722 1 49.45 ? CB SER 1 L 1 +ATOM 28 O OG SER 4 . E A 1 14.86 14.692 26.241 1 49.27 ? OG SER 1 L 1 +ATOM 29 N N GLY 5 . D A 1 16.786 13.215 23.459 1 50 ? N GLY 1 L 1 +ATOM 30 C CA GLY 5 . D A 1 16.489 13.196 22.046 1 50 ? CA GLY 1 L 1 +ATOM 31 C C GLY 5 . D A 1 16.599 14.597 21.433 1 50 ? C GLY 1 L 1 +ATOM 32 O O GLY 5 . D A 1 17.396 15.496 21.809 1 50 ? O GLY 1 L 1 +ATOM 33 N N GLU 6 . C A 1 15.671 14.79 20.485 1 50 ? N GLU 1 L 1 +ATOM 34 C CA GLU 6 . C A 1 15.599 15.993 19.637 1 50 ? CA GLU 1 L 1 +ATOM 35 C C GLU 6 . C A 1 15.17 17.363 20.146 1 50 ? C GLU 1 L 1 +ATOM 36 O O GLU 6 . C A 1 15.544 17.922 21.212 1 50 ? O GLU 1 L 1 +ATOM 37 C CB GLU 6 . C A 1 14.728 15.62 18.397 1 50 ? CB GLU 1 L 1 +ATOM 38 C CG GLU 6 . C A 1 14.156 16.803 17.618 1 50 ? CG GLU 1 L 1 +ATOM 39 C CD GLU 6 . C A 1 14.353 16.662 16.138 1 50 ? CD GLU 1 L 1 +ATOM 40 O OE1 GLU 6 . C A 1 15.178 15.897 15.664 1 50 ? OE1 GLU 1 L 1 +ATOM 41 O OE2 GLU 6 . C A 1 13.535 17.405 15.537 1 50 ? OE2 GLU 1 L 1 +ATOM 42 N N ALA 7 . B A 1 14.56 18.049 19.182 1 48.03 ? N ALA 1 L 1 +ATOM 43 C CA ALA 7 . B A 1 14.071 19.427 19.189 1 44.8 ? CA ALA 1 L 1 +ATOM 44 C C ALA 7 . B A 1 12.569 19.378 19.396 1 42.77 ? C ALA 1 L 1 +ATOM 45 O O ALA 7 . B A 1 11.975 19.764 20.416 1 42.2 ? O ALA 1 L 1 +ATOM 46 C CB ALA 7 . B A 1 14.57 20.011 17.861 1 44.84 ? CB ALA 1 L 1 +ATOM 47 N N ASP 8 . A A 1 11.976 18.696 18.413 1 40.78 ? N ASP 1 L 1 +ATOM 48 C CA ASP 8 . A A 1 10.532 18.432 18.459 1 37.75 ? CA ASP 1 L 1 +ATOM 49 C C ASP 8 . A A 1 10.287 16.96 18.862 1 33.42 ? C ASP 1 L 1 +ATOM 50 O O ASP 8 . A A 1 9.228 16.391 18.565 1 31.81 ? O ASP 1 L 1 +ATOM 51 C CB ASP 8 . A A 1 9.868 18.79 17.109 1 44.67 ? CB ASP 1 L 1 +ATOM 52 C CG ASP 8 . A A 1 8.41 19.088 17.526 1 50 ? CG ASP 1 L 1 +ATOM 53 O OD1 ASP 8 . A A 1 8.426 19.359 18.772 1 50 ? OD1 ASP 1 L 1 +ATOM 54 O OD2 ASP 8 . A A 1 7.363 18.971 16.849 1 50 ? OD2 ASP 1 L 1 +ATOM 55 N N CYS 9 . . A 1 11.285 16.379 19.505 1 29.4 ? N CYS 1 L 1 +ATOM 56 C CA CYS 9 . . A 1 11.183 14.912 19.81 1 25.39 ? CA CYS 1 L 1 +ATOM 57 C C CYS 9 . . A 1 9.936 14.542 20.574 1 21.54 ? C CYS 1 L 1 +ATOM 58 O O CYS 9 . . A 1 9.476 15.34 21.372 1 20.45 ? O CYS 1 L 1 +ATOM 59 C CB CYS 9 . . A 1 12.44 14.315 20.451 1 23.95 ? CB CYS 1 L 1 +ATOM 60 S SG CYS 9 . . A 1 12.853 14.86 22.108 1 15.88 ? SG CYS 1 L 1 +ATOM 61 N N GLY 10 . . A 1 9.389 13.373 20.27 1 19.21 ? N GLY 2 L 1 +ATOM 62 C CA GLY 10 . . A 1 8.277 12.787 20.964 1 15.96 ? CA GLY 2 L 1 +ATOM 63 C C GLY 10 . . A 1 6.878 13.274 21.021 1 16.35 ? C GLY 2 L 1 +ATOM 64 O O GLY 10 . . A 1 6.044 12.755 21.818 1 16.14 ? O GLY 2 L 1 +ATOM 65 N N LEU 11 . . A 1 6.581 14.306 20.209 1 17.26 ? N LEU 3 L 1 +ATOM 66 C CA LEU 11 . . A 1 5.304 14.991 20.011 1 16.17 ? CA LEU 3 L 1 +ATOM 67 C C LEU 11 . . A 1 4.938 14.585 18.572 1 17.79 ? C LEU 3 L 1 +ATOM 68 O O LEU 11 . . A 1 5.75 14.7 17.621 1 16.42 ? O LEU 3 L 1 +ATOM 69 C CB LEU 11 . . A 1 5.428 16.504 20.157 1 14.99 ? CB LEU 3 L 1 +ATOM 70 C CG LEU 11 . . A 1 5.923 17.043 21.483 1 13.99 ? CG LEU 3 L 1 +ATOM 71 C CD1 LEU 11 . . A 1 6.286 18.535 21.388 1 14.84 ? CD1 LEU 3 L 1 +ATOM 72 C CD2 LEU 11 . . A 1 4.865 16.762 22.53 1 13.44 ? CD2 LEU 3 L 1 +ATOM 73 N N ARG 12 . . A 1 4.002 13.628 18.662 1 18.9 ? N ARG 4 L 1 +ATOM 74 C CA ARG 12 . . A 1 3.503 12.998 17.432 1 18.78 ? CA ARG 4 L 1 +ATOM 75 C C ARG 12 . . A 1 2.535 13.938 16.703 1 19 ? C ARG 4 L 1 +ATOM 76 O O ARG 12 . . A 1 1.512 14.293 17.354 1 17.3 ? O ARG 4 L 1 +ATOM 77 C CB ARG 12 . . A 1 2.657 11.719 17.826 1 18.8 ? CB ARG 4 L 1 +ATOM 78 C CG ARG 12 . . A 1 3.647 10.55 18.173 1 13.66 ? CG ARG 4 L 1 +ATOM 79 C CD ARG 12 . . A 1 2.939 9.593 19.091 1 12.82 ? CD ARG 4 L 1 +ATOM 80 N NE ARG 12 . . A 1 1.908 10.015 19.989 1 10 ? NE ARG 4 L 1 +ATOM 81 C CZ ARG 12 . . A 1 0.989 9.194 20.466 1 11.6 ? CZ ARG 4 L 1 +ATOM 82 N NH1 ARG 12 . . A 1 0.94 7.892 20.137 1 14.88 ? NH1 ARG 4 L 1 +ATOM 83 N NH2 ARG 12 . . A 1 0.144 9.464 21.461 1 10 ? NH2 ARG 4 L 1 +ATOM 84 N N PRO 13 . . A 1 2.752 14.048 15.417 1 19.41 ? N PRO 5 L 1 +ATOM 85 C CA PRO 13 . . A 1 1.964 14.965 14.591 1 20.61 ? CA PRO 5 L 1 +ATOM 86 C C PRO 13 . . A 1 0.512 14.691 14.657 1 23.38 ? C PRO 5 L 1 +ATOM 87 O O PRO 13 . . A 1 -0.272 15.622 14.94 1 26.53 ? O PRO 5 L 1 +ATOM 88 C CB PRO 13 . . A 1 2.581 14.939 13.21 1 19.74 ? CB PRO 5 L 1 +ATOM 89 C CG PRO 13 . . A 1 3.973 14.345 13.329 1 19.92 ? CG PRO 5 L 1 +ATOM 90 C CD PRO 13 . . A 1 3.992 13.659 14.718 1 19.98 ? CD PRO 5 L 1 +ATOM 91 N N LEU 14 . . A 1 0.124 13.433 14.805 1 25.11 ? N LEU 6 L 1 +ATOM 92 C CA LEU 14 . . A 1 -1.271 13.014 14.763 1 24.01 ? CA LEU 6 L 1 +ATOM 93 C C LEU 14 . . A 1 -1.925 12.791 16.124 1 24.84 ? C LEU 6 L 1 +ATOM 94 O O LEU 14 . . A 1 -3.083 12.367 16.205 1 26.69 ? O LEU 6 L 1 +ATOM 95 C CB LEU 14 . . A 1 -1.414 11.795 13.868 1 22.73 ? CB LEU 6 L 1 +ATOM 96 C CG LEU 14 . . A 1 -1.991 11.963 12.468 1 24.31 ? CG LEU 6 L 1 +ATOM 97 C CD1 LEU 14 . . A 1 -1.467 13.181 11.722 1 25.65 ? CD1 LEU 6 L 1 +ATOM 98 C CD2 LEU 14 . . A 1 -1.655 10.755 11.576 1 26.67 ? CD2 LEU 6 L 1 +ATOM 99 N N PHE 15 . . A 1 -1.24 13.095 17.206 1 24.95 ? N PHE 7 L 1 +ATOM 100 C CA PHE 15 . . A 1 -1.867 12.918 18.529 1 24.49 ? CA PHE 7 L 1 +ATOM 101 C C PHE 15 . . A 1 -1.627 14.15 19.426 1 26.24 ? C PHE 7 L 1 +ATOM 102 O O PHE 15 . . A 1 -2.539 14.96 19.653 1 26.9 ? O PHE 7 L 1 +ATOM 103 C CB PHE 15 . . A 1 -1.373 11.617 19.161 1 19.78 ? CB PHE 7 L 1 +ATOM 104 C CG PHE 15 . . A 1 -1.836 10.387 18.364 1 21.41 ? CG PHE 7 L 1 +ATOM 105 C CD1 PHE 15 . . A 1 -3.117 9.847 18.569 1 19.49 ? CD1 PHE 7 L 1 +ATOM 106 C CD2 PHE 15 . . A 1 -0.984 9.805 17.418 1 15.33 ? CD2 PHE 7 L 1 +ATOM 107 C CE1 PHE 15 . . A 1 -3.536 8.727 17.841 1 19.8 ? CE1 PHE 7 L 1 +ATOM 108 C CE2 PHE 15 . . A 1 -1.405 8.686 16.687 1 17.93 ? CE2 PHE 7 L 1 +ATOM 109 C CZ PHE 15 . . A 1 -2.679 8.147 16.9 1 17.88 ? CZ PHE 7 L 1 +ATOM 110 N N GLU 16 . . A 1 -0.41 14.27 19.924 1 26.47 ? N GLU 8 L 1 +ATOM 111 C CA GLU 16 . . A 1 -0.008 15.382 20.818 1 24.04 ? CA GLU 8 L 1 +ATOM 112 C C GLU 16 . . A 1 -0.258 16.74 20.152 1 24.15 ? C GLU 8 L 1 +ATOM 113 O O GLU 16 . . A 1 -0.91 17.539 20.816 1 24.64 ? O GLU 8 L 1 +ATOM 114 C CB GLU 16 . . A 1 1.489 15.291 21.122 1 18.46 ? CB GLU 8 L 1 +ATOM 115 C CG GLU 16 . . A 1 1.806 14.399 22.321 1 20.93 ? CG GLU 8 L 1 +ATOM 116 C CD GLU 16 . . A 1 1.661 12.911 22.01 1 16.53 ? CD GLU 8 L 1 +ATOM 117 O OE1 GLU 16 . . A 1 2.133 12.44 20.91 1 16.87 ? OE1 GLU 8 L 1 +ATOM 118 O OE2 GLU 16 . . A 1 1.066 12.128 22.844 1 20.42 ? OE2 GLU 8 L 1 +ATOM 119 N N LYS 17 . . A 1 0.346 16.94 19.022 1 23.76 ? N LYS 9 L 1 +ATOM 120 C CA LYS 17 . . A 1 0.283 18.117 18.179 1 24.53 ? CA LYS 9 L 1 +ATOM 121 C C LYS 17 . . A 1 -1.115 18.555 17.795 1 25.76 ? C LYS 9 L 1 +ATOM 122 O O LYS 17 . . A 1 -1.372 19.739 17.487 1 26.98 ? O LYS 9 L 1 +ATOM 123 C CB LYS 17 . . A 1 1.189 17.946 16.959 1 22.97 ? CB LYS 9 L 1 +ATOM 124 C CG LYS 17 . . A 1 2.647 18.237 17.43 1 25.52 ? CG LYS 9 L 1 +ATOM 125 C CD LYS 17 . . A 1 3.697 17.505 16.639 1 26.62 ? CD LYS 9 L 1 +ATOM 126 C CE LYS 17 . . A 1 4.884 18.395 16.27 1 26.08 ? CE LYS 9 L 1 +ATOM 127 N NZ LYS 17 . . A 1 5.277 17.998 14.851 1 28.06 ? NZ LYS 9 L 1 +ATOM 128 N N LYS 18 . . A 1 -2.095 17.691 18.006 1 25.44 ? N LYS 10 L 1 +ATOM 129 C CA LYS 18 . . A 1 -3.457 18.015 17.599 1 26.67 ? CA LYS 10 L 1 +ATOM 130 C C LYS 18 . . A 1 -4.368 17.863 18.808 1 25.78 ? C LYS 10 L 1 +ATOM 131 O O LYS 18 . . A 1 -5.536 18.099 18.591 1 26.1 ? O LYS 10 L 1 +ATOM 132 C CB LYS 18 . . A 1 -4.096 17.062 16.632 1 27.62 ? CB LYS 10 L 1 +ATOM 133 C CG LYS 18 . . A 1 -3.559 17.146 15.201 1 30.62 ? CG LYS 10 L 1 +ATOM 134 C CD LYS 18 . . A 1 -4.569 16.327 14.4 1 31.58 ? CD LYS 10 L 1 +ATOM 135 C CE LYS 18 . . A 1 -4.351 16.32 12.893 1 32.62 ? CE LYS 10 L 1 +ATOM 136 N NZ LYS 18 . . A 1 -5.7 15.76 12.475 1 35.51 ? NZ LYS 10 L 1 +ATOM 137 N N SER 19 . . A 1 -3.705 17.439 19.835 1 25.29 ? N SER 11 L 1 +ATOM 138 C CA SER 19 . . A 1 -4.342 17.226 21.147 1 25.28 ? CA SER 11 L 1 +ATOM 139 C C SER 19 . . A 1 -5.348 16.096 21.14 1 25.84 ? C SER 11 L 1 +ATOM 140 O O SER 19 . . A 1 -6.427 16.024 21.8 1 26.13 ? O SER 11 L 1 +ATOM 141 C CB SER 19 . . A 1 -4.685 18.582 21.748 1 26.23 ? CB SER 11 L 1 +ATOM 142 O OG SER 19 . . A 1 -5.594 18.364 22.789 1 26.32 ? OG SER 11 L 1 +ATOM 143 N N LEU 20 . . A 1 -4.89 15.016 20.448 1 24.99 ? N LEU 12 L 1 +ATOM 144 C CA LEU 20 . . A 1 -5.673 13.769 20.401 1 26.3 ? CA LEU 12 L 1 +ATOM 145 C C LEU 20 . . A 1 -4.892 12.668 21.143 1 27.01 ? C LEU 12 L 1 +ATOM 146 O O LEU 20 . . A 1 -3.699 12.656 20.83 1 27.34 ? O LEU 12 L 1 +ATOM 147 C CB LEU 20 . . A 1 -5.839 13.46 18.918 1 23.47 ? CB LEU 12 L 1 +ATOM 148 C CG LEU 20 . . A 1 -6.688 14.331 18.008 1 21.93 ? CG LEU 12 L 1 +ATOM 149 C CD1 LEU 20 . . A 1 -6.351 14.109 16.584 1 18.55 ? CD1 LEU 12 L 1 +ATOM 150 C CD2 LEU 20 . . A 1 -8.166 13.977 18.205 1 18.24 ? CD2 LEU 12 L 1 +ATOM 151 N N GLU 21 . . A 1 -5.524 11.775 21.89 1 28.08 ? N GLU 13 L 1 +ATOM 152 C CA GLU 21 . . A 1 -4.887 10.654 22.58 1 28.98 ? CA GLU 13 L 1 +ATOM 153 C C GLU 21 . . A 1 -5.046 9.338 21.803 1 28.7 ? C GLU 13 L 1 +ATOM 154 O O GLU 21 . . A 1 -6.148 9.305 21.211 1 29.47 ? O GLU 13 L 1 +ATOM 155 C CB GLU 21 . . A 1 -5.689 10.241 23.805 1 31.75 ? CB GLU 13 L 1 +ATOM 156 C CG GLU 21 . . A 1 -5.969 11.315 24.847 1 39.47 ? CG GLU 13 L 1 +ATOM 157 C CD GLU 21 . . A 1 -5.857 10.797 26.257 1 43.79 ? CD GLU 13 L 1 +ATOM 158 O OE1 GLU 21 . . A 1 -6.433 9.669 26.374 1 46.84 ? OE1 GLU 13 L 1 +ATOM 159 O OE2 GLU 21 . . A 1 -5.17 11.369 27.097 1 46.12 ? OE2 GLU 13 L 1 +ATOM 160 N N ASP 22 . . A 1 -4.139 8.383 21.846 1 27.27 ? N ASP 14 L 1 +ATOM 161 C CA ASP 22 . . A 1 -4.34 7.057 21.177 1 26.59 ? CA ASP 14 L 1 +ATOM 162 C C ASP 22 . . A 1 -5.143 6.207 22.189 1 26.1 ? C ASP 14 L 1 +ATOM 163 O O ASP 22 . . A 1 -5.353 6.626 23.354 1 24.54 ? O ASP 14 L 1 +ATOM 164 C CB ASP 22 . . A 1 -3.038 6.441 20.674 1 26.26 ? CB ASP 14 L 1 +ATOM 165 C CG ASP 22 . . A 1 -2.109 6.062 21.83 1 20.53 ? CG ASP 14 L 1 +ATOM 166 O OD1 ASP 22 . . A 1 -2.772 5.508 22.722 1 22.99 ? OD1 ASP 14 L 1 +ATOM 167 O OD2 ASP 22 . . A 1 -0.898 6.241 21.87 1 19.82 ? OD2 ASP 14 L 1 +ATOM 168 N N LYS 23 . A A 1 -5.732 5.122 21.704 1 26.41 ? N LYS 14 L 1 +ATOM 169 C CA LYS 23 . A A 1 -6.666 4.344 22.509 1 26.71 ? CA LYS 14 L 1 +ATOM 170 C C LYS 23 . A A 1 -6.061 3.772 23.761 1 25.9 ? C LYS 14 L 1 +ATOM 171 O O LYS 23 . A A 1 -6.935 3.596 24.656 1 26.78 ? O LYS 14 L 1 +ATOM 172 C CB LYS 23 . A A 1 -7.43 3.234 21.817 1 30.6 ? CB LYS 14 L 1 +ATOM 173 C CG LYS 23 . A A 1 -7.324 3.277 20.278 1 35.5 ? CG LYS 14 L 1 +ATOM 174 C CD LYS 23 . A A 1 -6.758 1.934 19.79 1 39.41 ? CD LYS 14 L 1 +ATOM 175 C CE LYS 23 . A A 1 -5.24 1.853 19.901 1 40.48 ? CE LYS 14 L 1 +ATOM 176 N NZ LYS 23 . A A 1 -4.65 0.688 19.197 1 41.68 ? NZ LYS 14 L 1 +ATOM 177 N N THR 24 . B A 1 -4.775 3.661 23.95 1 25.94 ? N THR 14 L 1 +ATOM 178 C CA THR 24 . B A 1 -4.388 3.039 25.28 1 27.81 ? CA THR 14 L 1 +ATOM 179 C C THR 24 . B A 1 -3.449 3.871 26.148 1 30.4 ? C THR 14 L 1 +ATOM 180 O O THR 24 . B A 1 -3.245 3.508 27.358 1 31.81 ? O THR 14 L 1 +ATOM 181 C CB THR 24 . B A 1 -3.922 1.54 25.163 1 21.93 ? CB THR 14 L 1 +ATOM 182 O OG1 THR 24 . B A 1 -2.785 1.488 24.26 1 19.33 ? OG1 THR 14 L 1 +ATOM 183 C CG2 THR 24 . B A 1 -4.993 0.626 24.566 1 19.66 ? CG2 THR 14 L 1 +ATOM 184 N N GLU 25 . C A 1 -2.879 4.932 25.578 1 30.96 ? N GLU 14 L 1 +ATOM 185 C CA GLU 25 . C A 1 -2.019 5.84 26.359 1 32.29 ? CA GLU 14 L 1 +ATOM 186 C C GLU 25 . C A 1 -2.513 5.971 27.796 1 33.02 ? C GLU 14 L 1 +ATOM 187 O O GLU 25 . C A 1 -1.691 6.096 28.705 1 33.06 ? O GLU 14 L 1 +ATOM 188 C CB GLU 25 . C A 1 -2.175 7.298 25.911 1 33.79 ? CB GLU 14 L 1 +ATOM 189 C CG GLU 25 . C A 1 -1.365 7.751 24.726 1 31.87 ? CG GLU 14 L 1 +ATOM 190 C CD GLU 25 . C A 1 -1.65 9.171 24.283 1 29.63 ? CD GLU 14 L 1 +ATOM 191 O OE1 GLU 25 . C A 1 -1.728 9.928 25.253 1 26.13 ? OE1 GLU 14 L 1 +ATOM 192 O OE2 GLU 25 . C A 1 -1.481 9.466 23.096 1 30.82 ? OE2 GLU 14 L 1 +ATOM 193 N N ARG 26 . D A 1 -3.882 6.203 27.933 1 33.98 ? N ARG 14 L 1 +ATOM 194 C CA ARG 26 . D A 1 -4.357 6.307 29.321 1 35.59 ? CA ARG 14 L 1 +ATOM 195 C C ARG 26 . D A 1 -3.614 5.307 30.206 1 35.5 ? C ARG 14 L 1 +ATOM 196 O O ARG 26 . D A 1 -3.482 5.508 31.421 1 37.62 ? O ARG 14 L 1 +ATOM 197 C CB ARG 26 . D A 1 -5.854 6.004 29.388 1 41.6 ? CB ARG 14 L 1 +ATOM 198 C CG ARG 26 . D A 1 -6.157 4.509 29.543 1 45.04 ? CG ARG 14 L 1 +ATOM 199 C CD ARG 26 . D A 1 -5.585 3.655 28.402 1 47.28 ? CD ARG 14 L 1 +ATOM 200 N NE ARG 26 . D A 1 -6.445 2.508 28.049 1 48.85 ? NE ARG 14 L 1 +ATOM 201 C CZ ARG 26 . D A 1 -6.009 1.237 27.917 1 50 ? CZ ARG 14 L 1 +ATOM 202 N NH1 ARG 26 . D A 1 -4.719 0.914 28.104 1 49.52 ? NH1 ARG 14 L 1 +ATOM 203 N NH2 ARG 26 . D A 1 -6.798 0.202 27.595 1 50 ? NH2 ARG 14 L 1 +ATOM 204 N N GLU 27 . E A 1 -3.652 4.035 29.668 1 33.1 ? N GLU 14 L 1 +ATOM 205 C CA GLU 27 . E A 1 -3.139 2.924 30.503 1 30.71 ? CA GLU 14 L 1 +ATOM 206 C C GLU 27 . E A 1 -1.815 3.317 31.161 1 27.29 ? C GLU 14 L 1 +ATOM 207 O O GLU 27 . E A 1 -1.569 3.119 32.333 1 24.1 ? O GLU 14 L 1 +ATOM 208 C CB GLU 27 . E A 1 -2.913 1.668 29.675 1 33.27 ? CB GLU 14 L 1 +ATOM 209 C CG GLU 27 . E A 1 -3.213 0.337 30.353 1 36.28 ? CG GLU 14 L 1 +ATOM 210 C CD GLU 27 . E A 1 -2.894 -0.919 29.587 1 37.4 ? CD GLU 14 L 1 +ATOM 211 O OE1 GLU 27 . E A 1 -2.928 -0.902 28.344 1 33.51 ? OE1 GLU 14 L 1 +ATOM 212 O OE2 GLU 27 . E A 1 -2.611 -1.954 30.199 1 40.66 ? OE2 GLU 14 L 1 +ATOM 213 N N LEU 28 . F A 1 -0.93 3.74 30.289 1 26.51 ? N LEU 14 L 1 +ATOM 214 C CA LEU 28 . F A 1 0.403 4.238 30.626 1 27.01 ? CA LEU 14 L 1 +ATOM 215 C C LEU 28 . F A 1 0.297 5.286 31.708 1 28.17 ? C LEU 14 L 1 +ATOM 216 O O LEU 28 . F A 1 0.832 5.024 32.808 1 29.29 ? O LEU 14 L 1 +ATOM 217 C CB LEU 28 . F A 1 1.098 4.748 29.344 1 27.28 ? CB LEU 14 L 1 +ATOM 218 C CG LEU 28 . F A 1 1.591 3.619 28.418 1 27.77 ? CG LEU 14 L 1 +ATOM 219 C CD1 LEU 28 . F A 1 0.419 2.654 28.26 1 28.82 ? CD1 LEU 14 L 1 +ATOM 220 C CD2 LEU 28 . F A 1 2.14 4.213 27.138 1 28.21 ? CD2 LEU 14 L 1 +ATOM 221 N N LEU 29 . G A 1 -0.363 6.414 31.428 1 27.99 ? N LEU 14 L 1 +ATOM 222 C CA LEU 29 . G A 1 -0.493 7.519 32.39 1 28.02 ? CA LEU 14 L 1 +ATOM 223 C C LEU 29 . G A 1 -0.978 7.088 33.742 1 27.87 ? C LEU 14 L 1 +ATOM 224 O O LEU 29 . G A 1 -0.576 7.613 34.798 1 28.69 ? O LEU 14 L 1 +ATOM 225 C CB LEU 29 . G A 1 -1.347 8.62 31.722 1 26.77 ? CB LEU 14 L 1 +ATOM 226 C CG LEU 29 . G A 1 -0.501 9.417 30.705 1 27.81 ? CG LEU 14 L 1 +ATOM 227 C CD1 LEU 29 . G A 1 0.838 9.954 31.224 1 22.17 ? CD1 LEU 14 L 1 +ATOM 228 C CD2 LEU 29 . G A 1 -0.092 8.616 29.458 1 28.51 ? CD2 LEU 14 L 1 +ATOM 229 N N GLU 30 . H A 1 -1.985 6.273 33.701 1 28.87 ? N GLU 14 L 1 +ATOM 230 C CA GLU 30 . H A 1 -2.649 5.818 34.906 1 31.26 ? CA GLU 14 L 1 +ATOM 231 C C GLU 30 . H A 1 -1.79 5.058 35.877 1 32.21 ? C GLU 14 L 1 +ATOM 232 O O GLU 30 . H A 1 -2.417 4.799 36.917 1 34.08 ? O GLU 14 L 1 +ATOM 233 C CB GLU 30 . H A 1 -3.808 4.844 34.597 1 33.46 ? CB GLU 14 L 1 +ATOM 234 C CG GLU 30 . H A 1 -4.904 5.549 33.806 1 41.76 ? CG GLU 14 L 1 +ATOM 235 C CD GLU 30 . H A 1 -6.157 4.785 33.534 1 45.8 ? CD GLU 14 L 1 +ATOM 236 O OE1 GLU 30 . H A 1 -5.972 3.532 33.647 1 50 ? OE1 GLU 14 L 1 +ATOM 237 O OE2 GLU 30 . H A 1 -7.207 5.348 33.231 1 50 ? OE2 GLU 14 L 1 +ATOM 238 N N SER 31 . I A 1 -0.647 4.57 35.489 1 32.95 ? N SER 14 L 1 +ATOM 239 C CA SER 31 . I A 1 0.288 3.759 36.261 1 32.38 ? CA SER 14 L 1 +ATOM 240 C C SER 31 . I A 1 1.384 4.574 36.92 1 33.11 ? C SER 14 L 1 +ATOM 241 O O SER 31 . I A 1 2.019 4.018 37.835 1 32.82 ? O SER 14 L 1 +ATOM 242 C CB SER 31 . I A 1 0.915 2.629 35.472 1 30.71 ? CB SER 14 L 1 +ATOM 243 O OG SER 31 . I A 1 1.869 2.882 34.482 1 30.55 ? OG SER 14 L 1 +ATOM 244 N N TYR 32 . J A 1 1.75 5.669 36.32 1 33.59 ? N TYR 14 L 1 +ATOM 245 C CA TYR 32 . J A 1 2.771 6.578 36.808 1 36.34 ? CA TYR 14 L 1 +ATOM 246 C C TYR 32 . J A 1 2.052 7.321 37.937 1 39.41 ? C TYR 14 L 1 +ATOM 247 O O TYR 32 . J A 1 1.923 8.545 38.015 1 39.92 ? O TYR 14 L 1 +ATOM 248 C CB TYR 32 . J A 1 3.125 7.573 35.72 1 35.02 ? CB TYR 14 L 1 +ATOM 249 C CG TYR 32 . J A 1 3.503 6.978 34.375 1 35.58 ? CG TYR 14 L 1 +ATOM 250 C CD1 TYR 32 . J A 1 3.739 5.608 34.246 1 34.33 ? CD1 TYR 14 L 1 +ATOM 251 C CD2 TYR 32 . J A 1 3.612 7.826 33.268 1 34.33 ? CD2 TYR 14 L 1 +ATOM 252 C CE1 TYR 32 . J A 1 4.097 5.082 33 1 33.34 ? CE1 TYR 14 L 1 +ATOM 253 C CE2 TYR 32 . J A 1 3.973 7.301 32.022 1 30.89 ? CE2 TYR 14 L 1 +ATOM 254 C CZ TYR 32 . J A 1 4.218 5.929 31.889 1 32.54 ? CZ TYR 14 L 1 +ATOM 255 O OH TYR 32 . J A 1 4.575 5.419 30.68 1 28.28 ? OH TYR 14 L 1 +ATOM 256 N N ILE 33 . K A 1 1.452 6.501 38.417 1 42.95 ? N ILE 14 L 1 +ATOM 257 C CA ILE 33 . K A 1 0.256 6.622 39.254 1 46.68 ? CA ILE 14 L 1 +ATOM 258 C C ILE 33 . K A 1 -0.515 7.889 38.846 1 47.96 ? C ILE 14 L 1 +ATOM 259 O O ILE 33 . K A 1 -0.91 8.708 39.687 1 46.99 ? O ILE 14 L 1 +ATOM 260 C CB ILE 33 . K A 1 0.683 6.695 40.725 1 48.26 ? CB ILE 14 L 1 +ATOM 261 C CG1 ILE 33 . K A 1 2.145 7.123 40.899 1 49.83 ? CG1 ILE 14 L 1 +ATOM 262 C CG2 ILE 33 . K A 1 0.559 5.348 41.447 1 46.36 ? CG2 ILE 14 L 1 +ATOM 263 C CD1 ILE 33 . K A 1 2.327 8.252 41.914 1 49.5 ? CD1 ILE 14 L 1 +ATOM 264 N N ASP 34 . L A 1 -0.656 7.914 37.496 1 50 ? N ASP 14 L 1 +ATOM 265 C CA ASP 34 . L A 1 -1.334 8.967 36.711 1 50 ? CA ASP 14 L 1 +ATOM 266 C C ASP 34 . L A 1 -0.349 10.085 36.38 1 50 ? C ASP 14 L 1 +ATOM 267 O O ASP 34 . L A 1 0.658 9.856 35.691 1 50 ? O ASP 14 L 1 +ATOM 268 C CB ASP 34 . L A 1 -2.509 9.539 37.487 1 50 ? CB ASP 14 L 1 +ATOM 269 C CG ASP 34 . L A 1 -3.643 8.529 37.639 1 50 ? CG ASP 14 L 1 +ATOM 270 O OD1 ASP 34 . L A 1 -3.647 7.72 38.64 1 50 ? OD1 ASP 14 L 1 +ATOM 271 O OD2 ASP 34 . L A 1 -4.591 8.483 36.763 1 50 ? OD2 ASP 14 L 1 +ATOM 272 N N GLY 35 . M A 1 -1.331 10.783 35.12 1 50 ? N GLY 14 L 1 +ATOM 273 C CA GLY 35 . M A 1 -0.796 11.759 34.143 1 50 ? CA GLY 14 L 1 +ATOM 274 C C GLY 35 . M A 1 -0.423 13.191 34.572 1 50 ? C GLY 14 L 1 +ATOM 275 O O GLY 35 . M A 1 -0.028 13.533 35.731 1 50 ? O GLY 14 L 1 +ATOM 276 N N ARG 36 . . A 1 -0.443 14.041 33.527 1 50 ? N ARG 15 L 1 +ATOM 277 C CA ARG 36 . . A 1 -0.129 15.468 33.676 1 50 ? CA ARG 15 L 1 +ATOM 278 C C ARG 36 . . A 1 -1.129 16.087 34.7 1 50 ? C ARG 15 L 1 +ATOM 279 O O ARG 36 . . A 1 -0.921 17.325 34.962 1 50 ? O ARG 15 L 1 +ATOM 280 C CB ARG 36 . . A 1 -0.096 16.305 32.398 1 50 ? CB ARG 15 L 1 +ATOM 281 O OXT ARG 36 . . A 1 -1.545 15.254 35.581 1 50 ? OXT ARG 15 L 1 +ATOM 282 N N ILE 1 . . B 2 5.007 -9.234 18.432 1 18.53 ? N ILE 16 H 1 +ATOM 283 C CA ILE 1 . . B 2 4.405 -8.908 19.756 1 19.89 ? CA ILE 16 H 1 +ATOM 284 C C ILE 1 . . B 2 3.332 -9.979 19.935 1 20.59 ? C ILE 16 H 1 +ATOM 285 O O ILE 1 . . B 2 2.607 -10.216 18.931 1 21.21 ? O ILE 16 H 1 +ATOM 286 C CB ILE 1 . . B 2 3.669 -7.5 19.771 1 19.73 ? CB ILE 16 H 1 +ATOM 287 C CG1 ILE 1 . . B 2 4.593 -6.242 19.576 1 20.19 ? CG1 ILE 16 H 1 +ATOM 288 C CG2 ILE 1 . . B 2 2.71 -7.287 20.958 1 20.01 ? CG2 ILE 16 H 1 +ATOM 289 C CD1 ILE 1 . . B 2 5.618 -5.983 20.709 1 20.24 ? CD1 ILE 16 H 1 +ATOM 290 N N VAL 2 . . B 2 3.205 -10.485 21.139 1 22.21 ? N VAL 17 H 1 +ATOM 291 C CA VAL 2 . . B 2 2.242 -11.494 21.567 1 24.03 ? CA VAL 17 H 1 +ATOM 292 C C VAL 2 . . B 2 1.196 -10.869 22.461 1 26.04 ? C VAL 17 H 1 +ATOM 293 O O VAL 2 . . B 2 1.362 -10.254 23.532 1 27.37 ? O VAL 17 H 1 +ATOM 294 C CB VAL 2 . . B 2 3.005 -12.701 22.235 1 24.72 ? CB VAL 17 H 1 +ATOM 295 C CG1 VAL 2 . . B 2 2.05 -13.698 22.849 1 22.23 ? CG1 VAL 17 H 1 +ATOM 296 C CG2 VAL 2 . . B 2 4.026 -13.364 21.35 1 21.33 ? CG2 VAL 17 H 1 +ATOM 297 N N GLU 3 . . B 2 -0.052 -11.134 22.153 1 27.93 ? N GLU 18 H 1 +ATOM 298 C CA GLU 3 . . B 2 -1.15 -10.574 22.929 1 30.28 ? CA GLU 18 H 1 +ATOM 299 C C GLU 3 . . B 2 -1.185 -9.045 22.926 1 30.48 ? C GLU 18 H 1 +ATOM 300 O O GLU 3 . . B 2 -1.516 -8.486 23.985 1 32.16 ? O GLU 18 H 1 +ATOM 301 C CB GLU 3 . . B 2 -1.201 -10.996 24.387 1 34.4 ? CB GLU 18 H 1 +ATOM 302 C CG GLU 3 . . B 2 -1.812 -12.346 24.724 1 38.42 ? CG GLU 18 H 1 +ATOM 303 C CD GLU 3 . . B 2 -3.232 -12.755 24.595 1 39.85 ? CD GLU 18 H 1 +ATOM 304 O OE1 GLU 3 . . B 2 -3.734 -12.777 23.441 1 40.47 ? OE1 GLU 18 H 1 +ATOM 305 O OE2 GLU 3 . . B 2 -3.875 -13.141 25.569 1 41.48 ? OE2 GLU 18 H 1 +ATOM 306 N N GLY 4 . . B 2 -1.096 -8.39 21.796 1 30.11 ? N GLY 19 H 1 +ATOM 307 C CA GLY 4 . . B 2 -1.27 -6.944 21.737 1 31.8 ? CA GLY 19 H 1 +ATOM 308 C C GLY 4 . . B 2 -2.24 -6.624 20.589 1 32.73 ? C GLY 19 H 1 +ATOM 309 O O GLY 4 . . B 2 -2.534 -7.567 19.846 1 32.52 ? O GLY 19 H 1 +ATOM 310 N N SER 5 . . B 2 -2.486 -5.343 20.285 1 32.1 ? N SER 20 H 1 +ATOM 311 C CA SER 5 . . B 2 -3.356 -4.945 19.184 1 31.29 ? CA SER 20 H 1 +ATOM 312 C C SER 5 . . B 2 -2.563 -4.302 18.056 1 30.12 ? C SER 20 H 1 +ATOM 313 O O SER 5 . . B 2 -1.343 -4.212 18.11 1 30.57 ? O SER 20 H 1 +ATOM 314 C CB SER 5 . . B 2 -4.463 -3.987 19.585 1 34.13 ? CB SER 20 H 1 +ATOM 315 O OG SER 5 . . B 2 -4.17 -3.258 20.76 1 38.32 ? OG SER 20 H 1 +ATOM 316 N N ASP 6 . . B 2 -3.354 -3.933 17.039 1 29.61 ? N ASP 21 H 1 +ATOM 317 C CA ASP 6 . . B 2 -2.729 -3.241 15.893 1 28.57 ? CA ASP 21 H 1 +ATOM 318 C C ASP 6 . . B 2 -2.628 -1.751 16.313 1 26.42 ? C ASP 21 H 1 +ATOM 319 O O ASP 6 . . B 2 -3.632 -1.206 16.747 1 27.06 ? O ASP 21 H 1 +ATOM 320 C CB ASP 6 . . B 2 -3.409 -3.336 14.571 1 30.43 ? CB ASP 21 H 1 +ATOM 321 C CG ASP 6 . . B 2 -3.782 -4.75 14.171 1 30.45 ? CG ASP 21 H 1 +ATOM 322 O OD1 ASP 6 . . B 2 -2.927 -5.604 14.165 1 31.22 ? OD1 ASP 21 H 1 +ATOM 323 O OD2 ASP 6 . . B 2 -4.863 -4.892 13.561 1 35.52 ? OD2 ASP 21 H 1 +ATOM 324 N N ALA 7 . . B 2 -1.466 -1.249 16.129 1 23.9 ? N ALA 22 H 1 +ATOM 325 C CA ALA 7 . . B 2 -1.197 0.147 16.438 1 25.2 ? CA ALA 22 H 1 +ATOM 326 C C ALA 7 . . B 2 -2.086 1.04 15.606 1 26.62 ? C ALA 22 H 1 +ATOM 327 O O ALA 7 . . B 2 -2.3 0.72 14.409 1 29.58 ? O ALA 22 H 1 +ATOM 328 C CB ALA 7 . . B 2 0.273 0.324 16.061 1 25.22 ? CB ALA 22 H 1 +ATOM 329 N N GLU 8 . . B 2 -2.527 2.21 16.058 1 26.59 ? N GLU 23 H 1 +ATOM 330 C CA GLU 8 . . B 2 -3.235 3.213 15.242 1 23.98 ? CA GLU 23 H 1 +ATOM 331 C C GLU 8 . . B 2 -2.28 3.858 14.246 1 23.25 ? C GLU 23 H 1 +ATOM 332 O O GLU 8 . . B 2 -1.031 3.68 14.283 1 22.56 ? O GLU 23 H 1 +ATOM 333 C CB GLU 8 . . B 2 -3.757 4.294 16.194 1 27.85 ? CB GLU 23 H 1 +ATOM 334 C CG GLU 8 . . B 2 -4.463 3.712 17.413 1 30.21 ? CG GLU 23 H 1 +ATOM 335 C CD GLU 8 . . B 2 -5.149 4.677 18.318 1 32.13 ? CD GLU 23 H 1 +ATOM 336 O OE1 GLU 8 . . B 2 -5.843 5.591 17.919 1 31.94 ? OE1 GLU 23 H 1 +ATOM 337 O OE2 GLU 8 . . B 2 -5.175 4.332 19.53 1 32.7 ? OE2 GLU 23 H 1 +ATOM 338 N N ILE 9 . . B 2 -2.88 4.433 13.196 1 21.74 ? N ILE 24 H 1 +ATOM 339 C CA ILE 9 . . B 2 -2.057 5.092 12.167 1 20.62 ? CA ILE 24 H 1 +ATOM 340 C C ILE 9 . . B 2 -1.417 6.284 12.935 1 20.45 ? C ILE 24 H 1 +ATOM 341 O O ILE 9 . . B 2 -2.151 6.982 13.683 1 19.47 ? O ILE 24 H 1 +ATOM 342 C CB ILE 9 . . B 2 -2.845 5.405 10.852 1 19.05 ? CB ILE 24 H 1 +ATOM 343 C CG1 ILE 9 . . B 2 -3.561 4.214 10.186 1 15.95 ? CG1 ILE 24 H 1 +ATOM 344 C CG2 ILE 9 . . B 2 -1.931 6.136 9.818 1 21.89 ? CG2 ILE 24 H 1 +ATOM 345 C CD1 ILE 9 . . B 2 -2.75 3.576 9.01 1 18.22 ? CD1 ILE 24 H 1 +ATOM 346 N N GLY 10 . . B 2 -0.168 6.488 12.641 1 17.81 ? N GLY 25 H 1 +ATOM 347 C CA GLY 10 . . B 2 0.889 7.333 13.076 1 17.7 ? CA GLY 25 H 1 +ATOM 348 C C GLY 10 . . B 2 1.068 7.319 14.571 1 18.4 ? C GLY 25 H 1 +ATOM 349 O O GLY 10 . . B 2 1.487 8.32 15.117 1 17.76 ? O GLY 25 H 1 +ATOM 350 N N MET 11 . . B 2 0.847 6.214 15.268 1 19.12 ? N MET 26 H 1 +ATOM 351 C CA MET 11 . . B 2 0.93 6.047 16.706 1 18.32 ? CA MET 26 H 1 +ATOM 352 C C MET 11 . . B 2 2.367 5.88 17.168 1 19.32 ? C MET 26 H 1 +ATOM 353 O O MET 11 . . B 2 2.595 6.143 18.354 1 18.55 ? O MET 26 H 1 +ATOM 354 C CB MET 11 . . B 2 0.099 4.846 17.093 1 20.77 ? CB MET 26 H 1 +ATOM 355 C CG MET 11 . . B 2 -0.166 4.613 18.548 1 20.87 ? CG MET 26 H 1 +ATOM 356 S SD MET 11 . . B 2 -0.677 2.854 18.717 1 24.71 ? SD MET 26 H 1 +ATOM 357 C CE MET 11 . . B 2 -1.778 2.771 20.124 1 22.76 ? CE MET 26 H 1 +ATOM 358 N N SER 12 . . B 2 3.251 5.478 16.278 1 19.44 ? N SER 27 H 1 +ATOM 359 C CA SER 12 . . B 2 4.665 5.237 16.482 1 18.57 ? CA SER 27 H 1 +ATOM 360 C C SER 12 . . B 2 5.505 5.784 15.329 1 18.48 ? C SER 27 H 1 +ATOM 361 O O SER 12 . . B 2 6.165 5.023 14.601 1 16.59 ? O SER 27 H 1 +ATOM 362 C CB SER 12 . . B 2 4.698 3.685 16.571 1 22.64 ? CB SER 27 H 1 +ATOM 363 O OG SER 12 . . B 2 5.57 3.284 17.617 1 26.28 ? OG SER 27 H 1 +ATOM 364 N N PRO 13 . . B 2 5.527 7.102 15.132 1 17.65 ? N PRO 28 H 1 +ATOM 365 C CA PRO 13 . . B 2 6.253 7.706 14.026 1 17.32 ? CA PRO 28 H 1 +ATOM 366 C C PRO 13 . . B 2 7.75 7.433 14.052 1 17.52 ? C PRO 28 H 1 +ATOM 367 O O PRO 13 . . B 2 8.439 7.699 13.019 1 16.77 ? O PRO 28 H 1 +ATOM 368 C CB PRO 13 . . B 2 5.982 9.185 14.176 1 16.55 ? CB PRO 28 H 1 +ATOM 369 C CG PRO 13 . . B 2 5.097 9.377 15.397 1 16.1 ? CG PRO 28 H 1 +ATOM 370 C CD PRO 13 . . B 2 4.819 8.04 16.007 1 16.85 ? CD PRO 28 H 1 +ATOM 371 N N TRP 14 . . B 2 8.257 6.915 15.167 1 17.22 ? N TRP 29 H 1 +ATOM 372 C CA TRP 14 . . B 2 9.72 6.676 15.333 1 16.59 ? CA TRP 29 H 1 +ATOM 373 C C TRP 14 . . B 2 10.133 5.2 15.087 1 18.05 ? C TRP 29 H 1 +ATOM 374 O O TRP 14 . . B 2 11.347 4.994 14.781 1 17.12 ? O TRP 29 H 1 +ATOM 375 C CB TRP 14 . . B 2 10.155 7.037 16.752 1 11.46 ? CB TRP 29 H 1 +ATOM 376 C CG TRP 14 . . B 2 9.126 6.638 17.812 1 11.71 ? CG TRP 29 H 1 +ATOM 377 C CD1 TRP 14 . . B 2 8.902 5.41 18.299 1 11.06 ? CD1 TRP 29 H 1 +ATOM 378 C CD2 TRP 14 . . B 2 8.234 7.532 18.456 1 13 ? CD2 TRP 29 H 1 +ATOM 379 N NE1 TRP 14 . . B 2 7.852 5.525 19.265 1 14.21 ? NE1 TRP 29 H 1 +ATOM 380 C CE2 TRP 14 . . B 2 7.475 6.778 19.342 1 14.32 ? CE2 TRP 29 H 1 +ATOM 381 C CE3 TRP 14 . . B 2 8.005 8.909 18.362 1 15.73 ? CE3 TRP 29 H 1 +ATOM 382 C CZ2 TRP 14 . . B 2 6.482 7.33 20.159 1 13.98 ? CZ2 TRP 29 H 1 +ATOM 383 C CZ3 TRP 14 . . B 2 7.004 9.456 19.188 1 15.97 ? CZ3 TRP 29 H 1 +ATOM 384 C CH2 TRP 14 . . B 2 6.278 8.702 20.044 1 12.03 ? CH2 TRP 29 H 1 +ATOM 385 N N GLN 15 . . B 2 9.158 4.34 14.814 1 19.19 ? N GLN 30 H 1 +ATOM 386 C CA GLN 15 . . B 2 9.245 2.867 14.534 1 17.63 ? CA GLN 30 H 1 +ATOM 387 C C GLN 15 . . B 2 9.842 2.713 13.176 1 18.8 ? C GLN 30 H 1 +ATOM 388 O O GLN 15 . . B 2 9.349 3.379 12.252 1 18.74 ? O GLN 30 H 1 +ATOM 389 C CB GLN 15 . . B 2 7.936 2.146 14.67 1 19.85 ? CB GLN 30 H 1 +ATOM 390 C CG GLN 15 . . B 2 7.673 0.693 14.471 1 17.84 ? CG GLN 30 H 1 +ATOM 391 C CD GLN 15 . . B 2 8.533 -0.093 15.445 1 19.78 ? CD GLN 30 H 1 +ATOM 392 O OE1 GLN 15 . . B 2 8.322 0.062 16.625 1 19.47 ? OE1 GLN 30 H 1 +ATOM 393 N NE2 GLN 15 . . B 2 9.522 -0.854 15.077 1 17.16 ? NE2 GLN 30 H 1 +ATOM 394 N N VAL 16 . . B 2 10.954 2.017 13.13 1 19.6 ? N VAL 31 H 1 +ATOM 395 C CA VAL 16 . . B 2 11.776 1.77 11.942 1 20.26 ? CA VAL 31 H 1 +ATOM 396 C C VAL 16 . . B 2 11.897 0.266 11.685 1 22.52 ? C VAL 31 H 1 +ATOM 397 O O VAL 16 . . B 2 11.848 -0.54 12.626 1 22.51 ? O VAL 31 H 1 +ATOM 398 C CB VAL 16 . . B 2 13.167 2.38 12.009 1 21.88 ? CB VAL 31 H 1 +ATOM 399 C CG1 VAL 16 . . B 2 13.926 1.966 10.77 1 21.94 ? CG1 VAL 31 H 1 +ATOM 400 C CG2 VAL 16 . . B 2 13.141 3.897 12.303 1 20.91 ? CG2 VAL 31 H 1 +ATOM 401 N N MET 17 . . B 2 11.834 -0.158 10.445 1 23.32 ? N MET 32 H 1 +ATOM 402 C CA MET 17 . . B 2 11.892 -1.572 10.079 1 22.42 ? CA MET 32 H 1 +ATOM 403 C C MET 17 . . B 2 13.285 -1.808 9.552 1 21.99 ? C MET 32 H 1 +ATOM 404 O O MET 17 . . B 2 13.602 -1.059 8.637 1 22.63 ? O MET 32 H 1 +ATOM 405 C CB MET 17 . . B 2 10.86 -1.906 8.996 1 22.64 ? CB MET 32 H 1 +ATOM 406 C CG MET 17 . . B 2 11.003 -3.368 8.592 1 22.4 ? CG MET 32 H 1 +ATOM 407 S SD MET 17 . . B 2 9.935 -3.74 7.113 1 24.5 ? SD MET 32 H 1 +ATOM 408 C CE MET 17 . . B 2 8.447 -3.911 8.059 1 11.74 ? CE MET 32 H 1 +ATOM 409 N N LEU 18 . . B 2 14.054 -2.656 10.161 1 22.71 ? N LEU 33 H 1 +ATOM 410 C CA LEU 18 . . B 2 15.384 -3.024 9.585 1 24.94 ? CA LEU 33 H 1 +ATOM 411 C C LEU 18 . . B 2 15.065 -4.145 8.583 1 25.84 ? C LEU 33 H 1 +ATOM 412 O O LEU 18 . . B 2 14.519 -5.197 8.936 1 24.76 ? O LEU 33 H 1 +ATOM 413 C CB LEU 18 . . B 2 16.066 -3.364 10.881 1 28.97 ? CB LEU 33 H 1 +ATOM 414 C CG LEU 18 . . B 2 17.466 -2.811 11.124 1 32.02 ? CG LEU 33 H 1 +ATOM 415 C CD1 LEU 18 . . B 2 18.439 -3.912 11.565 1 34.4 ? CD1 LEU 33 H 1 +ATOM 416 C CD2 LEU 18 . . B 2 18.086 -2.137 9.91 1 29.62 ? CD2 LEU 33 H 1 +ATOM 417 N N PHE 19 . . B 2 15.389 -3.91 7.335 1 25.49 ? N PHE 34 H 1 +ATOM 418 C CA PHE 19 . . B 2 14.972 -4.811 6.251 1 27.56 ? CA PHE 34 H 1 +ATOM 419 C C PHE 19 . . B 2 16.177 -5.29 5.422 1 30.42 ? C PHE 34 H 1 +ATOM 420 O O PHE 19 . . B 2 17.013 -4.486 4.993 1 31.62 ? O PHE 34 H 1 +ATOM 421 C CB PHE 19 . . B 2 13.986 -4 5.4 1 22.69 ? CB PHE 34 H 1 +ATOM 422 C CG PHE 19 . . B 2 13.197 -4.805 4.384 1 20.64 ? CG PHE 34 H 1 +ATOM 423 C CD1 PHE 19 . . B 2 12.112 -5.589 4.793 1 20.76 ? CD1 PHE 34 H 1 +ATOM 424 C CD2 PHE 19 . . B 2 13.56 -4.739 3.04 1 21.98 ? CD2 PHE 34 H 1 +ATOM 425 C CE1 PHE 19 . . B 2 11.394 -6.325 3.844 1 20.14 ? CE1 PHE 34 H 1 +ATOM 426 C CE2 PHE 19 . . B 2 12.847 -5.476 2.091 1 19.86 ? CE2 PHE 34 H 1 +ATOM 427 C CZ PHE 19 . . B 2 11.765 -6.271 2.493 1 22.64 ? CZ PHE 34 H 1 +ATOM 428 N N ARG 20 . . B 2 16.245 -6.611 5.211 1 32.32 ? N ARG 35 H 1 +ATOM 429 C CA ARG 20 . . B 2 17.329 -7.221 4.402 1 34.03 ? CA ARG 35 H 1 +ATOM 430 C C ARG 20 . . B 2 17.021 -7.025 2.922 1 35.22 ? C ARG 35 H 1 +ATOM 431 O O ARG 20 . . B 2 15.949 -7.351 2.358 1 34.2 ? O ARG 35 H 1 +ATOM 432 C CB ARG 20 . . B 2 17.488 -8.659 4.695 1 35.12 ? CB ARG 35 H 1 +ATOM 433 C CG ARG 20 . . B 2 18.895 -9.118 4.431 1 37.86 ? CG ARG 35 H 1 +ATOM 434 C CD ARG 20 . . B 2 18.995 -10.558 4.784 1 41.03 ? CD ARG 35 H 1 +ATOM 435 N NE ARG 20 . . B 2 20.106 -11.222 4.226 1 41.68 ? NE ARG 35 H 1 +ATOM 436 C CZ ARG 20 . . B 2 20.456 -12.442 4.565 1 40.87 ? CZ ARG 35 H 1 +ATOM 437 N NH1 ARG 20 . . B 2 19.759 -13.143 5.479 1 38.68 ? NH1 ARG 35 H 1 +ATOM 438 N NH2 ARG 20 . . B 2 21.493 -13.05 4.021 1 41.66 ? NH2 ARG 35 H 1 +ATOM 439 N N LYS 21 . . B 2 18.048 -6.493 2.239 1 37.18 ? N LYS 36 H 1 +ATOM 440 C CA LYS 21 . . B 2 17.828 -6.314 0.779 1 39.96 ? CA LYS 36 H 1 +ATOM 441 C C LYS 21 . . B 2 17.622 -7.601 -0.008 1 41.74 ? C LYS 36 H 1 +ATOM 442 O O LYS 21 . . B 2 16.826 -7.68 -0.953 1 41.82 ? O LYS 36 H 1 +ATOM 443 C CB LYS 21 . . B 2 18.991 -5.572 0.11 1 38.9 ? CB LYS 36 H 1 +ATOM 444 C CG LYS 21 . . B 2 18.704 -4.072 0.296 1 38.98 ? CG LYS 36 H 1 +ATOM 445 C CD LYS 21 . . B 2 20.01 -3.34 0.528 1 38.83 ? CD LYS 36 H 1 +ATOM 446 C CE LYS 21 . . B 2 20.635 -2.651 -0.651 1 37.47 ? CE LYS 36 H 1 +ATOM 447 N NZ LYS 21 . . B 2 22.071 -2.387 -0.319 1 39.72 ? NZ LYS 36 H 1 +ATOM 448 N N SER 22 . A B 2 18.394 -8.624 0.311 1 43.66 ? N SER 36 H 1 +ATOM 449 C CA SER 22 . A B 2 18.438 -9.894 -0.427 1 44.33 ? CA SER 36 H 1 +ATOM 450 C C SER 22 . A B 2 18.828 -11.111 0.388 1 44.46 ? C SER 36 H 1 +ATOM 451 O O SER 22 . A B 2 20.05 -11.181 0.746 1 45.43 ? O SER 36 H 1 +ATOM 452 C CB SER 22 . A B 2 19.581 -9.685 -1.46 1 46.66 ? CB SER 36 H 1 +ATOM 453 O OG SER 22 . A B 2 19.154 -9.97 -2.804 1 50 ? OG SER 36 H 1 +ATOM 454 N N PRO 23 . . B 2 17.942 -12.032 0.707 1 43.33 ? N PRO 37 H 1 +ATOM 455 C CA PRO 23 . . B 2 16.528 -12.05 0.412 1 43.67 ? CA PRO 37 H 1 +ATOM 456 C C PRO 23 . . B 2 15.86 -10.882 1.132 1 43.95 ? C PRO 37 H 1 +ATOM 457 O O PRO 23 . . B 2 16.169 -10.647 2.311 1 44.65 ? O PRO 37 H 1 +ATOM 458 C CB PRO 23 . . B 2 16.017 -13.353 1.007 1 43.39 ? CB PRO 37 H 1 +ATOM 459 C CG PRO 23 . . B 2 17.114 -14.001 1.781 1 42.94 ? CG PRO 37 H 1 +ATOM 460 C CD PRO 23 . . B 2 18.347 -13.183 1.509 1 43.17 ? CD PRO 37 H 1 +ATOM 461 N N GLN 24 . . B 2 15.002 -10.196 0.42 1 43.99 ? N GLN 38 H 1 +ATOM 462 C CA GLN 24 . . B 2 14.29 -9.017 0.932 1 44.11 ? CA GLN 38 H 1 +ATOM 463 C C GLN 24 . . B 2 13.404 -9.497 2.093 1 43.36 ? C GLN 38 H 1 +ATOM 464 O O GLN 24 . . B 2 12.445 -10.155 1.701 1 44.01 ? O GLN 38 H 1 +ATOM 465 C CB GLN 24 . . B 2 13.41 -8.325 -0.107 1 45.68 ? CB GLN 38 H 1 +ATOM 466 C CG GLN 24 . . B 2 14.11 -7.076 -0.663 1 47.38 ? CG GLN 38 H 1 +ATOM 467 C CD GLN 24 . . B 2 13.443 -6.617 -1.957 1 46.6 ? CD GLN 38 H 1 +ATOM 468 O OE1 GLN 24 . . B 2 14.161 -6.314 -2.914 1 46.02 ? OE1 GLN 38 H 1 +ATOM 469 N NE2 GLN 24 . . B 2 12.11 -6.664 -1.889 1 45.76 ? NE2 GLN 38 H 1 +ATOM 470 N N GLU 25 . . B 2 13.861 -9.192 3.295 1 42.24 ? N GLU 39 H 1 +ATOM 471 C CA GLU 25 . . B 2 13.209 -9.571 4.535 1 39.85 ? CA GLU 39 H 1 +ATOM 472 C C GLU 25 . . B 2 13.488 -8.679 5.746 1 37.29 ? C GLU 39 H 1 +ATOM 473 O O GLU 25 . . B 2 14.554 -8.118 5.977 1 36.66 ? O GLU 39 H 1 +ATOM 474 C CB GLU 25 . . B 2 13.643 -10.996 4.96 1 40.4 ? CB GLU 39 H 1 +ATOM 475 C CG GLU 25 . . B 2 15.128 -11.269 4.788 1 43.66 ? CG GLU 39 H 1 +ATOM 476 C CD GLU 25 . . B 2 15.717 -12.453 5.502 1 45.73 ? CD GLU 39 H 1 +ATOM 477 O OE1 GLU 25 . . B 2 14.86 -13.263 5.919 1 44.4 ? OE1 GLU 39 H 1 +ATOM 478 O OE2 GLU 25 . . B 2 16.932 -12.47 5.731 1 47.29 ? OE2 GLU 39 H 1 +ATOM 479 N N LEU 26 . . B 2 12.48 -8.664 6.604 1 35.35 ? N LEU 40 H 1 +ATOM 480 C CA LEU 26 . . B 2 12.47 -7.937 7.839 1 33.51 ? CA LEU 40 H 1 +ATOM 481 C C LEU 26 . . B 2 13.515 -8.575 8.765 1 32.79 ? C LEU 40 H 1 +ATOM 482 O O LEU 26 . . B 2 13.179 -9.733 9.088 1 33.08 ? O LEU 40 H 1 +ATOM 483 C CB LEU 26 . . B 2 11.118 -8.107 8.577 1 31.95 ? CB LEU 40 H 1 +ATOM 484 C CG LEU 26 . . B 2 11.169 -7.52 9.998 1 32.32 ? CG LEU 40 H 1 +ATOM 485 C CD1 LEU 26 . . B 2 11.304 -6.003 9.929 1 28.89 ? CD1 LEU 40 H 1 +ATOM 486 C CD2 LEU 26 . . B 2 9.905 -7.857 10.78 1 30.63 ? CD2 LEU 40 H 1 +ATOM 487 N N LEU 27 . . B 2 14.526 -7.849 9.181 1 30.81 ? N LEU 41 H 1 +ATOM 488 C CA LEU 27 . . B 2 15.514 -8.352 10.105 1 28.2 ? CA LEU 41 H 1 +ATOM 489 C C LEU 27 . . B 2 15.056 -8.073 11.52 1 27.29 ? C LEU 41 H 1 +ATOM 490 O O LEU 27 . . B 2 15.055 -8.995 12.36 1 27.39 ? O LEU 41 H 1 +ATOM 491 C CB LEU 27 . . B 2 16.864 -7.736 9.803 1 29.78 ? CB LEU 41 H 1 +ATOM 492 C CG LEU 27 . . B 2 17.501 -8.263 8.506 1 35.94 ? CG LEU 41 H 1 +ATOM 493 C CD1 LEU 27 . . B 2 18.988 -7.891 8.626 1 34.82 ? CD1 LEU 41 H 1 +ATOM 494 C CD2 LEU 27 . . B 2 17.279 -9.765 8.28 1 31.35 ? CD2 LEU 41 H 1 +ATOM 495 N N CYS 28 . . B 2 14.727 -6.837 11.782 1 24.3 ? N CYS 42 H 1 +ATOM 496 C CA CYS 28 . . B 2 14.389 -6.308 13.119 1 20.93 ? CA CYS 42 H 1 +ATOM 497 C C CYS 28 . . B 2 13.67 -4.96 13.028 1 18.26 ? C CYS 42 H 1 +ATOM 498 O O CYS 28 . . B 2 13.381 -4.452 11.933 1 16.91 ? O CYS 42 H 1 +ATOM 499 C CB CYS 28 . . B 2 15.655 -6.023 13.965 1 23.97 ? CB CYS 42 H 1 +ATOM 500 S SG CYS 28 . . B 2 16.68 -7.507 14.425 1 22.06 ? SG CYS 42 H 1 +ATOM 501 N N GLY 29 . . B 2 13.419 -4.438 14.211 1 17.59 ? N GLY 43 H 1 +ATOM 502 C CA GLY 29 . . B 2 12.797 -3.134 14.405 1 17.36 ? CA GLY 43 H 1 +ATOM 503 C C GLY 29 . . B 2 13.922 -2.12 14.643 1 17.56 ? C GLY 43 H 1 +ATOM 504 O O GLY 29 . . B 2 15.109 -2.505 14.743 1 16.84 ? O GLY 43 H 1 +ATOM 505 N N ALA 30 . . B 2 13.587 -0.942 15.156 1 16.93 ? N ALA 44 H 1 +ATOM 506 C CA ALA 30 . . B 2 14.611 0.12 15.297 1 16.27 ? CA ALA 44 H 1 +ATOM 507 C C ALA 30 . . B 2 13.847 1.404 15.65 1 16.81 ? C ALA 44 H 1 +ATOM 508 O O ALA 30 . . B 2 12.59 1.328 15.828 1 15.5 ? O ALA 44 H 1 +ATOM 509 C CB ALA 30 . . B 2 15.513 0.118 14.056 1 10.15 ? CB ALA 44 H 1 +ATOM 510 N N SER 31 . . B 2 14.569 2.406 16.122 1 16.5 ? N SER 45 H 1 +ATOM 511 C CA SER 31 . . B 2 13.839 3.662 16.477 1 18.05 ? CA SER 45 H 1 +ATOM 512 C C SER 31 . . B 2 14.578 4.855 15.835 1 19.37 ? C SER 45 H 1 +ATOM 513 O O SER 31 . . B 2 15.766 4.676 15.549 1 20.38 ? O SER 45 H 1 +ATOM 514 C CB SER 31 . . B 2 13.522 3.815 17.912 1 17.34 ? CB SER 45 H 1 +ATOM 515 O OG SER 31 . . B 2 14.715 4.109 18.707 1 24.36 ? OG SER 45 H 1 +ATOM 516 N N LEU 32 . . B 2 13.84 5.884 15.394 1 20.65 ? N LEU 46 H 1 +ATOM 517 C CA LEU 32 . . B 2 14.395 7.086 14.733 1 20.64 ? CA LEU 46 H 1 +ATOM 518 C C LEU 32 . . B 2 14.684 8.052 15.911 1 20.01 ? C LEU 46 H 1 +ATOM 519 O O LEU 32 . . B 2 13.691 8.36 16.55 1 17.96 ? O LEU 46 H 1 +ATOM 520 C CB LEU 32 . . B 2 13.383 7.794 13.811 1 19.79 ? CB LEU 46 H 1 +ATOM 521 C CG LEU 32 . . B 2 13.643 8.437 12.488 1 18.58 ? CG LEU 46 H 1 +ATOM 522 C CD1 LEU 32 . . B 2 13.002 9.854 12.462 1 16.84 ? CD1 LEU 46 H 1 +ATOM 523 C CD2 LEU 32 . . B 2 15.079 8.627 11.999 1 12.37 ? CD2 LEU 46 H 1 +ATOM 524 N N ILE 33 . . B 2 15.923 8.509 15.991 1 22.16 ? N ILE 47 H 1 +ATOM 525 C CA ILE 33 . . B 2 16.264 9.413 17.13 1 25.24 ? CA ILE 47 H 1 +ATOM 526 C C ILE 33 . . B 2 16.73 10.804 16.672 1 25.17 ? C ILE 47 H 1 +ATOM 527 O O ILE 33 . . B 2 16.779 11.797 17.422 1 25.88 ? O ILE 47 H 1 +ATOM 528 C CB ILE 33 . . B 2 17.189 8.699 18.197 1 20.82 ? CB ILE 47 H 1 +ATOM 529 C CG1 ILE 33 . . B 2 18.563 8.303 17.646 1 24.87 ? CG1 ILE 47 H 1 +ATOM 530 C CG2 ILE 33 . . B 2 16.538 7.44 18.794 1 19.19 ? CG2 ILE 47 H 1 +ATOM 531 C CD1 ILE 33 . . B 2 19.479 7.726 18.8 1 25.57 ? CD1 ILE 47 H 1 +ATOM 532 N N SER 34 . . B 2 16.64 11.044 15.394 1 27.04 ? N SER 48 H 1 +ATOM 533 C CA SER 34 . . B 2 16.975 12.384 14.818 1 27.1 ? CA SER 48 H 1 +ATOM 534 C C SER 34 . . B 2 16.711 12.229 13.33 1 28.21 ? C SER 48 H 1 +ATOM 535 O O SER 34 . . B 2 16.149 11.124 13.072 1 27.4 ? O SER 48 H 1 +ATOM 536 C CB SER 34 . . B 2 18.342 12.693 15.301 1 25.32 ? CB SER 48 H 1 +ATOM 537 O OG SER 34 . . B 2 19.331 12.446 14.337 1 29.07 ? OG SER 48 H 1 +ATOM 538 N N ASP 35 . . B 2 16.977 13.169 12.42 1 27.51 ? N ASP 49 H 1 +ATOM 539 C CA ASP 35 . . B 2 16.672 12.799 11.014 1 27.92 ? CA ASP 49 H 1 +ATOM 540 C C ASP 35 . . B 2 17.792 11.983 10.347 1 27.07 ? C ASP 49 H 1 +ATOM 541 O O ASP 35 . . B 2 17.57 11.509 9.206 1 26.96 ? O ASP 49 H 1 +ATOM 542 C CB ASP 35 . . B 2 16.309 14.067 10.23 1 31.97 ? CB ASP 49 H 1 +ATOM 543 C CG ASP 35 . . B 2 17.548 14.957 10.295 1 32.49 ? CG ASP 49 H 1 +ATOM 544 O OD1 ASP 35 . . B 2 18.084 14.87 11.413 1 35.47 ? OD1 ASP 49 H 1 +ATOM 545 O OD2 ASP 35 . . B 2 18 15.601 9.354 1 36.28 ? OD2 ASP 49 H 1 +ATOM 546 N N ARG 36 . . B 2 18.941 11.816 10.961 1 25.37 ? N ARG 50 H 1 +ATOM 547 C CA ARG 36 . . B 2 20.067 11.049 10.405 1 24.44 ? CA ARG 50 H 1 +ATOM 548 C C ARG 36 . . B 2 20.443 9.772 11.187 1 22.61 ? C ARG 50 H 1 +ATOM 549 O O ARG 36 . . B 2 21.352 9.032 10.721 1 20.45 ? O ARG 50 H 1 +ATOM 550 C CB ARG 36 . . B 2 21.392 11.868 10.431 1 25.69 ? CB ARG 50 H 1 +ATOM 551 C CG ARG 36 . . B 2 21.591 12.83 9.312 1 30.17 ? CG ARG 50 H 1 +ATOM 552 C CD ARG 36 . . B 2 21.947 12.236 8.003 1 33.06 ? CD ARG 50 H 1 +ATOM 553 N NE ARG 36 . . B 2 23.264 11.622 8.057 1 37.3 ? NE ARG 50 H 1 +ATOM 554 C CZ ARG 36 . . B 2 24.201 11.515 7.116 1 37.52 ? CZ ARG 50 H 1 +ATOM 555 N NH1 ARG 36 . . B 2 23.948 12.001 5.88 1 40.11 ? NH1 ARG 50 H 1 +ATOM 556 N NH2 ARG 36 . . B 2 25.337 10.843 7.39 1 33.83 ? NH2 ARG 50 H 1 +ATOM 557 N N TRP 37 . . B 2 19.92 9.588 12.371 1 22.04 ? N TRP 51 H 1 +ATOM 558 C CA TRP 37 . . B 2 20.218 8.436 13.268 1 22.73 ? CA TRP 51 H 1 +ATOM 559 C C TRP 37 . . B 2 18.97 7.608 13.647 1 22.44 ? C TRP 51 H 1 +ATOM 560 O O TRP 37 . . B 2 17.96 8.042 14.235 1 21.23 ? O TRP 51 H 1 +ATOM 561 C CB TRP 37 . . B 2 20.969 8.932 14.515 1 24.41 ? CB TRP 51 H 1 +ATOM 562 C CG TRP 37 . . B 2 22.33 9.582 14.221 1 28.35 ? CG TRP 51 H 1 +ATOM 563 C CD1 TRP 37 . . B 2 22.573 10.881 13.992 1 31.34 ? CD1 TRP 51 H 1 +ATOM 564 C CD2 TRP 37 . . B 2 23.573 8.893 14.153 1 30.4 ? CD2 TRP 51 H 1 +ATOM 565 N NE1 TRP 37 . . B 2 23.981 11.018 13.769 1 30.62 ? NE1 TRP 51 H 1 +ATOM 566 C CE2 TRP 37 . . B 2 24.549 9.841 13.868 1 31 ? CE2 TRP 51 H 1 +ATOM 567 C CE3 TRP 37 . . B 2 23.948 7.553 14.307 1 32.71 ? CE3 TRP 51 H 1 +ATOM 568 C CZ2 TRP 37 . . B 2 25.906 9.522 13.723 1 31.9 ? CZ2 TRP 51 H 1 +ATOM 569 C CZ3 TRP 37 . . B 2 25.317 7.242 14.16 1 32.35 ? CZ3 TRP 51 H 1 +ATOM 570 C CH2 TRP 37 . . B 2 26.249 8.182 13.882 1 33.38 ? CH2 TRP 51 H 1 +ATOM 571 N N VAL 38 . . B 2 19.251 6.297 13.659 1 21.83 ? N VAL 52 H 1 +ATOM 572 C CA VAL 38 . . B 2 18.36 5.214 14.036 1 20.35 ? CA VAL 52 H 1 +ATOM 573 C C VAL 38 . . B 2 19.038 4.348 15.118 1 20.98 ? C VAL 52 H 1 +ATOM 574 O O VAL 38 . . B 2 20.219 4.1 14.913 1 20.62 ? O VAL 52 H 1 +ATOM 575 C CB VAL 38 . . B 2 18.084 4.359 12.749 1 21.98 ? CB VAL 52 H 1 +ATOM 576 C CG1 VAL 38 . . B 2 17.519 2.994 13.027 1 16.77 ? CG1 VAL 52 H 1 +ATOM 577 C CG2 VAL 38 . . B 2 17.261 5.182 11.729 1 22.4 ? CG2 VAL 52 H 1 +ATOM 578 N N LEU 39 . . B 2 18.356 3.848 16.104 1 18.43 ? N LEU 53 H 1 +ATOM 579 C CA LEU 39 . . B 2 18.891 3.027 17.154 1 20.51 ? CA LEU 53 H 1 +ATOM 580 C C LEU 39 . . B 2 18.177 1.65 17.161 1 20.64 ? C LEU 53 H 1 +ATOM 581 O O LEU 39 . . B 2 16.966 1.534 17.044 1 20.01 ? O LEU 53 H 1 +ATOM 582 C CB LEU 39 . . B 2 18.754 3.782 18.481 1 17.62 ? CB LEU 53 H 1 +ATOM 583 C CG LEU 39 . . B 2 19.13 3.065 19.757 1 16.45 ? CG LEU 53 H 1 +ATOM 584 C CD1 LEU 39 . . B 2 20.651 3.116 19.87 1 15.81 ? CD1 LEU 53 H 1 +ATOM 585 C CD2 LEU 39 . . B 2 18.411 3.762 20.878 1 14.14 ? CD2 LEU 53 H 1 +ATOM 586 N N THR 40 . . B 2 19.037 0.628 17.309 1 21.29 ? N THR 54 H 1 +ATOM 587 C CA THR 40 . . B 2 18.578 -0.791 17.3 1 21.19 ? CA THR 54 H 1 +ATOM 588 C C THR 40 . . B 2 19.458 -1.686 18.135 1 20.42 ? C THR 54 H 1 +ATOM 589 O O THR 40 . . B 2 20.478 -1.232 18.701 1 19.12 ? O THR 54 H 1 +ATOM 590 C CB THR 40 . . B 2 18.548 -1.208 15.765 1 21.7 ? CB THR 54 H 1 +ATOM 591 O OG1 THR 40 . . B 2 17.709 -2.408 15.766 1 25.33 ? OG1 THR 54 H 1 +ATOM 592 C CG2 THR 40 . . B 2 19.946 -1.415 15.209 1 19.02 ? CG2 THR 54 H 1 +ATOM 593 N N ALA 41 . . B 2 19.098 -2.968 18.288 1 21.07 ? N ALA 55 H 1 +ATOM 594 C CA ALA 41 . . B 2 19.953 -3.873 19.16 1 19.45 ? CA ALA 55 H 1 +ATOM 595 C C ALA 41 . . B 2 21.261 -4.205 18.477 1 19.46 ? C ALA 55 H 1 +ATOM 596 O O ALA 41 . . B 2 21.084 -4.56 17.272 1 19.85 ? O ALA 55 H 1 +ATOM 597 C CB ALA 41 . . B 2 19.093 -5.068 19.462 1 13.92 ? CB ALA 55 H 1 +ATOM 598 N N ALA 42 . . B 2 22.463 -4.345 19.069 1 18.77 ? N ALA 56 H 1 +ATOM 599 C CA ALA 42 . . B 2 23.578 -4.841 18.211 1 17.95 ? CA ALA 56 H 1 +ATOM 600 C C ALA 42 . . B 2 23.324 -6.299 17.774 1 18.35 ? C ALA 56 H 1 +ATOM 601 O O ALA 42 . . B 2 23.758 -6.703 16.727 1 17.63 ? O ALA 56 H 1 +ATOM 602 C CB ALA 42 . . B 2 24.955 -4.793 18.808 1 15.17 ? CB ALA 56 H 1 +ATOM 603 N N HIS 43 . . B 2 22.567 -7.149 18.452 1 19.16 ? N HIS 57 H 1 +ATOM 604 C CA HIS 43 . . B 2 22.48 -8.53 17.922 1 20.49 ? CA HIS 57 H 1 +ATOM 605 C C HIS 43 . . B 2 21.747 -8.541 16.602 1 22.53 ? C HIS 57 H 1 +ATOM 606 O O HIS 43 . . B 2 22.047 -9.503 15.823 1 23.53 ? O HIS 57 H 1 +ATOM 607 C CB HIS 43 . . B 2 22.061 -9.53 18.995 1 17.36 ? CB HIS 57 H 1 +ATOM 608 C CG HIS 43 . . B 2 20.553 -9.555 19.058 1 17.78 ? CG HIS 57 H 1 +ATOM 609 N ND1 HIS 43 . . B 2 19.845 -8.911 20.051 1 16.7 ? ND1 HIS 57 H 1 +ATOM 610 C CD2 HIS 43 . . B 2 19.684 -10.156 18.205 1 15.97 ? CD2 HIS 57 H 1 +ATOM 611 C CE1 HIS 43 . . B 2 18.543 -9.111 19.837 1 14.85 ? CE1 HIS 57 H 1 +ATOM 612 N NE2 HIS 43 . . B 2 18.447 -9.788 18.7 1 18.11 ? NE2 HIS 57 H 1 +ATOM 613 N N CYS 44 . . B 2 20.953 -7.579 16.173 1 21.52 ? N CYS 58 H 1 +ATOM 614 C CA CYS 44 . . B 2 20.372 -7.518 14.827 1 22.26 ? CA CYS 58 H 1 +ATOM 615 C C CYS 44 . . B 2 21.406 -7.47 13.702 1 23.86 ? C CYS 58 H 1 +ATOM 616 O O CYS 44 . . B 2 21.257 -7.936 12.509 1 24.85 ? O CYS 58 H 1 +ATOM 617 C CB CYS 44 . . B 2 19.497 -6.245 14.779 1 21.61 ? CB CYS 58 H 1 +ATOM 618 S SG CYS 44 . . B 2 18.001 -6.459 15.843 1 25.26 ? SG CYS 58 H 1 +ATOM 619 N N LEU 45 . . B 2 22.579 -6.964 14.063 1 23.46 ? N LEU 59 H 1 +ATOM 620 C CA LEU 45 . . B 2 23.679 -6.748 13.08 1 23.96 ? CA LEU 59 H 1 +ATOM 621 C C LEU 45 . . B 2 24.789 -7.778 13.166 1 24.51 ? C LEU 59 H 1 +ATOM 622 O O LEU 45 . . B 2 25.204 -8.235 12.094 1 24.36 ? O LEU 59 H 1 +ATOM 623 C CB LEU 45 . . B 2 24.16 -5.283 13.369 1 24.9 ? CB LEU 59 H 1 +ATOM 624 C CG LEU 45 . . B 2 23.048 -4.199 13.445 1 26.66 ? CG LEU 59 H 1 +ATOM 625 C CD1 LEU 45 . . B 2 23.32 -2.92 14.213 1 23.16 ? CD1 LEU 59 H 1 +ATOM 626 C CD2 LEU 45 . . B 2 22.714 -3.877 11.97 1 23.55 ? CD2 LEU 59 H 1 +ATOM 627 N N LEU 46 . . B 2 25.218 -8.237 14.334 1 24.55 ? N LEU 60 H 1 +ATOM 628 C CA LEU 46 . . B 2 26.325 -9.135 14.631 1 24.3 ? CA LEU 60 H 1 +ATOM 629 C C LEU 46 . . B 2 26.011 -10.207 15.694 1 25.82 ? C LEU 60 H 1 +ATOM 630 O O LEU 46 . . B 2 25.676 -9.949 16.852 1 24.9 ? O LEU 60 H 1 +ATOM 631 C CB LEU 46 . . B 2 27.432 -8.245 15.194 1 27.72 ? CB LEU 60 H 1 +ATOM 632 C CG LEU 46 . . B 2 28.815 -8.843 15.396 1 27.63 ? CG LEU 60 H 1 +ATOM 633 C CD1 LEU 46 . . B 2 29.307 -9.527 14.148 1 28.86 ? CD1 LEU 60 H 1 +ATOM 634 C CD2 LEU 46 . . B 2 29.726 -7.692 15.776 1 27.29 ? CD2 LEU 60 H 1 +ATOM 635 N N TYR 47 . A B 2 26.26 -11.444 15.279 1 26.04 ? N TYR 60 H 1 +ATOM 636 C CA TYR 47 . A B 2 25.978 -12.607 16.15 1 26.6 ? CA TYR 60 H 1 +ATOM 637 C C TYR 47 . A B 2 26.831 -13.707 15.513 1 27.79 ? C TYR 60 H 1 +ATOM 638 O O TYR 47 . A B 2 26.403 -14.432 14.628 1 28.2 ? O TYR 60 H 1 +ATOM 639 C CB TYR 47 . A B 2 24.479 -12.858 16.056 1 27.3 ? CB TYR 60 H 1 +ATOM 640 C CG TYR 47 . A B 2 24.256 -13.794 17.239 1 29.26 ? CG TYR 60 H 1 +ATOM 641 C CD1 TYR 47 . A B 2 24.697 -13.37 18.494 1 29.53 ? CD1 TYR 60 H 1 +ATOM 642 C CD2 TYR 47 . A B 2 23.714 -15.07 17.08 1 29.98 ? CD2 TYR 60 H 1 +ATOM 643 C CE1 TYR 47 . A B 2 24.593 -14.21 19.594 1 33.09 ? CE1 TYR 60 H 1 +ATOM 644 C CE2 TYR 47 . A B 2 23.612 -15.92 18.184 1 33.14 ? CE2 TYR 60 H 1 +ATOM 645 C CZ TYR 47 . A B 2 24.052 -15.487 19.442 1 35.35 ? CZ TYR 60 H 1 +ATOM 646 O OH TYR 47 . A B 2 23.95 -16.306 20.517 1 37.73 ? OH TYR 60 H 1 +ATOM 647 N N PRO 48 . B B 2 28.11 -13.603 15.809 1 28.35 ? N PRO 60 H 1 +ATOM 648 C CA PRO 48 . B B 2 29.126 -14.405 15.137 1 29.92 ? CA PRO 60 H 1 +ATOM 649 C C PRO 48 . B B 2 28.855 -15.906 15.171 1 30.73 ? C PRO 60 H 1 +ATOM 650 O O PRO 48 . B B 2 29.192 -16.617 14.19 1 32.16 ? O PRO 60 H 1 +ATOM 651 C CB PRO 48 . B B 2 30.411 -13.927 15.779 1 29.5 ? CB PRO 60 H 1 +ATOM 652 C CG PRO 48 . B B 2 30.112 -12.78 16.67 1 28.27 ? CG PRO 60 H 1 +ATOM 653 C CD PRO 48 . B B 2 28.63 -12.685 16.832 1 28.31 ? CD PRO 60 H 1 +ATOM 654 N N PRO 49 . C B 2 28.237 -16.33 16.247 1 30.14 ? N PRO 60 H 1 +ATOM 655 C CA PRO 49 . C B 2 27.889 -17.68 16.541 1 30.94 ? CA PRO 60 H 1 +ATOM 656 C C PRO 49 . C B 2 26.9 -18.323 15.62 1 32.89 ? C PRO 60 H 1 +ATOM 657 O O PRO 49 . C B 2 26.607 -19.542 15.829 1 35.31 ? O PRO 60 H 1 +ATOM 658 C CB PRO 49 . C B 2 27.198 -17.701 17.901 1 30.46 ? CB PRO 60 H 1 +ATOM 659 C CG PRO 49 . C B 2 27.323 -16.358 18.461 1 30.98 ? CG PRO 60 H 1 +ATOM 660 C CD PRO 49 . C B 2 27.946 -15.463 17.391 1 31.37 ? CD PRO 60 H 1 +ATOM 661 N N TRP 50 . D B 2 26.083 -17.508 15.006 1 33.01 ? N TRP 60 H 1 +ATOM 662 C CA TRP 50 . D B 2 25.103 -17.998 14.056 1 31.58 ? CA TRP 60 H 1 +ATOM 663 C C TRP 50 . D B 2 25.75 -17.357 12.825 1 32.03 ? C TRP 60 H 1 +ATOM 664 O O TRP 50 . D B 2 24.91 -16.775 12.12 1 34.93 ? O TRP 60 H 1 +ATOM 665 C CB TRP 50 . D B 2 23.715 -17.494 14.089 1 31.11 ? CB TRP 60 H 1 +ATOM 666 C CG TRP 50 . D B 2 22.817 -18.069 15.16 1 33.16 ? CG TRP 60 H 1 +ATOM 667 C CD1 TRP 50 . D B 2 23.086 -19.069 16.003 1 35.99 ? CD1 TRP 60 H 1 +ATOM 668 C CD2 TRP 50 . D B 2 21.509 -17.598 15.415 1 35.86 ? CD2 TRP 60 H 1 +ATOM 669 N NE1 TRP 50 . D B 2 21.931 -19.226 16.834 1 36.66 ? NE1 TRP 60 H 1 +ATOM 670 C CE2 TRP 50 . D B 2 21.02 -18.346 16.476 1 37.39 ? CE2 TRP 60 H 1 +ATOM 671 C CE3 TRP 50 . D B 2 20.708 -16.599 14.851 1 38.58 ? CE3 TRP 60 H 1 +ATOM 672 C CZ2 TRP 50 . D B 2 19.753 -18.138 17.034 1 41.07 ? CZ2 TRP 60 H 1 +ATOM 673 C CZ3 TRP 50 . D B 2 19.43 -16.403 15.413 1 41.97 ? CZ3 TRP 60 H 1 +ATOM 674 C CH2 TRP 50 . D B 2 18.977 -17.135 16.456 1 40.99 ? CH2 TRP 60 H 1 +ATOM 675 N N ASP 51 . E B 2 27.004 -17.037 12.882 1 32.27 ? N ASP 60 H 1 +ATOM 676 C CA ASP 51 . E B 2 27.537 -16.444 11.607 1 32.73 ? CA ASP 60 H 1 +ATOM 677 C C ASP 51 . E B 2 26.999 -15.153 11.036 1 31.94 ? C ASP 60 H 1 +ATOM 678 O O ASP 51 . E B 2 27.269 -14.866 9.856 1 32.06 ? O ASP 60 H 1 +ATOM 679 C CB ASP 51 . E B 2 27.138 -17.554 10.62 1 34.09 ? CB ASP 60 H 1 +ATOM 680 C CG ASP 51 . E B 2 28.257 -18.597 10.764 1 38.57 ? CG ASP 60 H 1 +ATOM 681 O OD1 ASP 51 . E B 2 29.358 -18.096 10.481 1 39.82 ? OD1 ASP 60 H 1 +ATOM 682 O OD2 ASP 51 . E B 2 27.942 -19.738 11.142 1 41.33 ? OD2 ASP 60 H 1 +ATOM 683 N N LYS 52 . F B 2 26.234 -14.421 11.811 1 32.69 ? N LYS 60 H 1 +ATOM 684 C CA LYS 52 . F B 2 25.635 -13.114 11.448 1 31.53 ? CA LYS 60 H 1 +ATOM 685 C C LYS 52 . F B 2 26.511 -11.897 11.799 1 31.7 ? C LYS 60 H 1 +ATOM 686 O O LYS 52 . F B 2 26.975 -11.577 12.918 1 31.12 ? O LYS 60 H 1 +ATOM 687 C CB LYS 52 . F B 2 24.262 -12.98 12.057 1 26.69 ? CB LYS 60 H 1 +ATOM 688 C CG LYS 52 . F B 2 23.994 -11.487 12.133 1 26.03 ? CG LYS 60 H 1 +ATOM 689 C CD LYS 52 . F B 2 22.522 -11.308 12.159 1 27.53 ? CD LYS 60 H 1 +ATOM 690 C CE LYS 52 . F B 2 21.749 -12.31 12.967 1 25.02 ? CE LYS 60 H 1 +ATOM 691 N NZ LYS 52 . F B 2 20.715 -11.47 13.665 1 26.21 ? NZ LYS 60 H 1 +ATOM 692 N N ASN 53 . G B 2 26.729 -11.175 10.701 1 32.53 ? N ASN 60 H 1 +ATOM 693 C CA ASN 53 . G B 2 27.514 -9.983 10.546 1 32.32 ? CA ASN 60 H 1 +ATOM 694 C C ASN 53 . G B 2 27.005 -9.065 9.437 1 33.04 ? C ASN 60 H 1 +ATOM 695 O O ASN 53 . G B 2 27.75 -8.94 8.437 1 33.54 ? O ASN 60 H 1 +ATOM 696 C CB ASN 53 . G B 2 28.997 -10.256 10.235 1 35.07 ? CB ASN 60 H 1 +ATOM 697 C CG ASN 53 . G B 2 29.689 -8.923 10.422 1 39.08 ? CG ASN 60 H 1 +ATOM 698 O OD1 ASN 53 . G B 2 29.374 -8.298 11.462 1 43.6 ? OD1 ASN 60 H 1 +ATOM 699 N ND2 ASN 53 . G B 2 30.402 -8.341 9.469 1 41.53 ? ND2 ASN 60 H 1 +ATOM 700 N N PHE 54 . H B 2 25.877 -8.43 9.643 1 32.77 ? N PHE 60 H 1 +ATOM 701 C CA PHE 54 . H B 2 25.377 -7.458 8.628 1 34.02 ? CA PHE 60 H 1 +ATOM 702 C C PHE 54 . H B 2 26.23 -6.191 8.539 1 35.49 ? C PHE 60 H 1 +ATOM 703 O O PHE 54 . H B 2 26.598 -5.489 9.48 1 36.4 ? O PHE 60 H 1 +ATOM 704 C CB PHE 54 . H B 2 23.91 -7.123 8.87 1 26.73 ? CB PHE 60 H 1 +ATOM 705 C CG PHE 54 . H B 2 23.032 -8.356 8.717 1 21.75 ? CG PHE 60 H 1 +ATOM 706 C CD1 PHE 54 . H B 2 23.137 -9.132 7.561 1 21.25 ? CD1 PHE 60 H 1 +ATOM 707 C CD2 PHE 54 . H B 2 22.136 -8.71 9.728 1 20.35 ? CD2 PHE 60 H 1 +ATOM 708 C CE1 PHE 54 . H B 2 22.348 -10.273 7.414 1 22.3 ? CE1 PHE 60 H 1 +ATOM 709 C CE2 PHE 54 . H B 2 21.346 -9.855 9.584 1 20.01 ? CE2 PHE 60 H 1 +ATOM 710 C CZ PHE 54 . H B 2 21.453 -10.637 8.427 1 19.38 ? CZ PHE 60 H 1 +ATOM 711 N N THR 55 . I B 2 26.595 -5.869 7.343 1 37.9 ? N THR 60 H 1 +ATOM 712 C CA THR 55 . I B 2 27.323 -4.68 6.834 1 40.03 ? CA THR 60 H 1 +ATOM 713 C C THR 55 . I B 2 26.274 -3.66 6.362 1 40.81 ? C THR 60 H 1 +ATOM 714 O O THR 55 . I B 2 25.038 -3.883 6.253 1 39.99 ? O THR 60 H 1 +ATOM 715 C CB THR 55 . I B 2 28.327 -5.246 5.768 1 40.89 ? CB THR 60 H 1 +ATOM 716 O OG1 THR 55 . I B 2 28.336 -4.494 4.53 1 43.48 ? OG1 THR 60 H 1 +ATOM 717 C CG2 THR 55 . I B 2 27.864 -6.71 5.477 1 41.88 ? CG2 THR 60 H 1 +ATOM 718 N N GLU 56 . . B 2 26.787 -2.457 6.159 1 41.55 ? N GLU 61 H 1 +ATOM 719 C CA GLU 56 . . B 2 26.017 -1.278 5.732 1 42.68 ? CA GLU 61 H 1 +ATOM 720 C C GLU 56 . . B 2 25.256 -1.414 4.435 1 42.67 ? C GLU 61 H 1 +ATOM 721 O O GLU 56 . . B 2 24.058 -1.031 4.369 1 43.02 ? O GLU 61 H 1 +ATOM 722 C CB GLU 56 . . B 2 26.997 -0.079 5.697 1 43.41 ? CB GLU 61 H 1 +ATOM 723 C CG GLU 56 . . B 2 28.291 -0.458 6.449 1 47.12 ? CG GLU 61 H 1 +ATOM 724 C CD GLU 56 . . B 2 28.771 0.508 7.488 1 49.33 ? CD GLU 61 H 1 +ATOM 725 O OE1 GLU 56 . . B 2 28.072 1.191 8.238 1 50 ? OE1 GLU 61 H 1 +ATOM 726 O OE2 GLU 56 . . B 2 30.027 0.599 7.551 1 50 ? OE2 GLU 61 H 1 +ATOM 727 N N ASN 57 . . B 2 25.82 -1.899 3.333 1 42.41 ? N ASN 62 H 1 +ATOM 728 C CA ASN 57 . . B 2 24.984 -2.028 2.149 1 42.03 ? CA ASN 62 H 1 +ATOM 729 C C ASN 57 . . B 2 24.318 -3.393 2.091 1 40.59 ? C ASN 62 H 1 +ATOM 730 O O ASN 57 . . B 2 24.133 -3.863 0.984 1 40.38 ? O ASN 62 H 1 +ATOM 731 C CB ASN 57 . . B 2 25.747 -1.865 0.851 1 49.01 ? CB ASN 62 H 1 +ATOM 732 C CG ASN 57 . . B 2 27.084 -2.601 0.949 1 50 ? CG ASN 62 H 1 +ATOM 733 O OD1 ASN 57 . . B 2 28.038 -1.806 0.711 1 50 ? OD1 ASN 62 H 1 +ATOM 734 N ND2 ASN 57 . . B 2 26.982 -3.92 1.174 1 50 ? ND2 ASN 62 H 1 +ATOM 735 N N ASP 58 . . B 2 24.066 -3.949 3.221 1 39.87 ? N ASP 63 H 1 +ATOM 736 C CA ASP 58 . . B 2 23.402 -5.252 3.304 1 38.41 ? CA ASP 63 H 1 +ATOM 737 C C ASP 58 . . B 2 21.908 -5.043 3.578 1 36.33 ? C ASP 63 H 1 +ATOM 738 O O ASP 58 . . B 2 21.178 -5.995 3.354 1 35.39 ? O ASP 63 H 1 +ATOM 739 C CB ASP 58 . . B 2 23.984 -6.102 4.429 1 40.03 ? CB ASP 63 H 1 +ATOM 740 C CG ASP 58 . . B 2 25.234 -6.879 4.04 1 41.93 ? CG ASP 63 H 1 +ATOM 741 O OD1 ASP 58 . . B 2 26.129 -6.218 3.433 1 44.56 ? OD1 ASP 63 H 1 +ATOM 742 O OD2 ASP 58 . . B 2 25.286 -8.061 4.38 1 39.51 ? OD2 ASP 63 H 1 +ATOM 743 N N LEU 59 . . B 2 21.698 -3.871 4.16 1 36.27 ? N LEU 64 H 1 +ATOM 744 C CA LEU 59 . . B 2 20.437 -3.352 4.676 1 34.53 ? CA LEU 64 H 1 +ATOM 745 C C LEU 59 . . B 2 19.8 -2.057 4.173 1 32.95 ? C LEU 64 H 1 +ATOM 746 O O LEU 59 . . B 2 20.565 -1.125 3.802 1 34.03 ? O LEU 64 H 1 +ATOM 747 C CB LEU 59 . . B 2 20.836 -2.983 6.17 1 34.81 ? CB LEU 64 H 1 +ATOM 748 C CG LEU 59 . . B 2 21.639 -4.081 6.848 1 31.7 ? CG LEU 64 H 1 +ATOM 749 C CD1 LEU 59 . . B 2 22.402 -3.567 8.027 1 32.94 ? CD1 LEU 64 H 1 +ATOM 750 C CD2 LEU 59 . . B 2 20.559 -5.098 7.235 1 33.68 ? CD2 LEU 64 H 1 +ATOM 751 N N LEU 60 . . B 2 18.512 -1.948 4.431 1 28.78 ? N LEU 65 H 1 +ATOM 752 C CA LEU 60 . . B 2 17.814 -0.689 4.213 1 28.98 ? CA LEU 65 H 1 +ATOM 753 C C LEU 60 . . B 2 17.057 -0.363 5.52 1 27.85 ? C LEU 65 H 1 +ATOM 754 O O LEU 60 . . B 2 16.473 -1.366 5.944 1 28.6 ? O LEU 65 H 1 +ATOM 755 C CB LEU 60 . . B 2 16.698 -0.72 3.16 1 27.49 ? CB LEU 65 H 1 +ATOM 756 C CG LEU 60 . . B 2 16.914 -0.368 1.719 1 24.67 ? CG LEU 65 H 1 +ATOM 757 C CD1 LEU 60 . . B 2 18.352 -0.035 1.389 1 20.02 ? CD1 LEU 65 H 1 +ATOM 758 C CD2 LEU 60 . . B 2 16.406 -1.607 0.95 1 24.81 ? CD2 LEU 65 H 1 +ATOM 759 N N VAL 61 . . B 2 16.726 0.887 5.767 1 26.74 ? N VAL 66 H 1 +ATOM 760 C CA VAL 61 . . B 2 15.828 1.145 6.914 1 24.86 ? CA VAL 66 H 1 +ATOM 761 C C VAL 61 . . B 2 14.563 1.648 6.234 1 25.1 ? C VAL 66 H 1 +ATOM 762 O O VAL 61 . . B 2 14.784 2.29 5.219 1 24.95 ? O VAL 66 H 1 +ATOM 763 C CB VAL 61 . . B 2 16.407 2.091 7.988 1 24.14 ? CB VAL 66 H 1 +ATOM 764 C CG1 VAL 61 . . B 2 17.294 1.268 8.974 1 22.35 ? CG1 VAL 66 H 1 +ATOM 765 C CG2 VAL 61 . . B 2 17.256 3.198 7.45 1 14.63 ? CG2 VAL 66 H 1 +ATOM 766 N N ARG 62 . . B 2 13.414 1.26 6.67 1 24.64 ? N ARG 67 H 1 +ATOM 767 C CA ARG 62 . . B 2 12.157 1.747 6.182 1 25.44 ? CA ARG 67 H 1 +ATOM 768 C C ARG 62 . . B 2 11.425 2.543 7.28 1 25.96 ? C ARG 67 H 1 +ATOM 769 O O ARG 62 . . B 2 11.05 1.817 8.269 1 26.14 ? O ARG 67 H 1 +ATOM 770 C CB ARG 62 . . B 2 11.34 0.514 5.896 1 24.74 ? CB ARG 67 H 1 +ATOM 771 C CG ARG 62 . . B 2 11.689 -0.387 4.685 1 29.44 ? CG ARG 67 H 1 +ATOM 772 C CD ARG 62 . . B 2 10.259 -0.941 4.406 1 30.02 ? CD ARG 67 H 1 +ATOM 773 N NE ARG 62 . . B 2 10.37 -1.802 3.287 1 32.27 ? NE ARG 67 H 1 +ATOM 774 C CZ ARG 62 . . B 2 9.367 -2.218 2.54 1 34.39 ? CZ ARG 67 H 1 +ATOM 775 N NH1 ARG 62 . . B 2 8.163 -1.748 2.763 1 33.63 ? NH1 ARG 67 H 1 +ATOM 776 N NH2 ARG 62 . . B 2 9.592 -3.101 1.569 1 37.22 ? NH2 ARG 67 H 1 +ATOM 777 N N ILE 63 . . B 2 11.067 3.821 7.126 1 24.56 ? N ILE 68 H 1 +ATOM 778 C CA ILE 63 . . B 2 10.342 4.532 8.2 1 23.76 ? CA ILE 68 H 1 +ATOM 779 C C ILE 63 . . B 2 8.984 5.018 7.781 1 24.63 ? C ILE 68 H 1 +ATOM 780 O O ILE 63 . . B 2 8.837 5.576 6.72 1 25.05 ? O ILE 68 H 1 +ATOM 781 C CB ILE 63 . . B 2 11.249 5.756 8.654 1 26.53 ? CB ILE 68 H 1 +ATOM 782 C CG1 ILE 63 . . B 2 12.716 5.296 8.562 1 26.98 ? CG1 ILE 68 H 1 +ATOM 783 C CG2 ILE 63 . . B 2 10.866 6.384 10.034 1 24.43 ? CG2 ILE 68 H 1 +ATOM 784 C CD1 ILE 63 . . B 2 13.915 6.271 8.744 1 26.41 ? CD1 ILE 68 H 1 +ATOM 785 N N GLY 64 . . B 2 7.927 5.012 8.566 1 25.3 ? N GLY 69 H 1 +ATOM 786 C CA GLY 64 . . B 2 6.629 5.525 8.152 1 24.94 ? CA GLY 69 H 1 +ATOM 787 C C GLY 64 . . B 2 5.733 4.331 7.775 1 25.84 ? C GLY 69 H 1 +ATOM 788 O O GLY 64 . . B 2 4.542 4.601 7.472 1 25.3 ? O GLY 69 H 1 +ATOM 789 N N LYS 65 . . B 2 6.295 3.133 8.057 1 24.39 ? N LYS 70 H 1 +ATOM 790 C CA LYS 65 . . B 2 5.58 1.905 7.673 1 22.65 ? CA LYS 70 H 1 +ATOM 791 C C LYS 65 . . B 2 4.483 1.653 8.7 1 22.57 ? C LYS 70 H 1 +ATOM 792 O O LYS 65 . . B 2 4.622 2.242 9.763 1 21.03 ? O LYS 70 H 1 +ATOM 793 C CB LYS 65 . . B 2 6.409 0.639 7.565 1 21.16 ? CB LYS 70 H 1 +ATOM 794 C CG LYS 65 . . B 2 7.548 0.641 6.553 1 22.1 ? CG LYS 70 H 1 +ATOM 795 C CD LYS 65 . . B 2 7.754 -0.707 5.835 1 21.49 ? CD LYS 70 H 1 +ATOM 796 C CE LYS 65 . . B 2 6.339 -1.337 5.629 1 21.57 ? CE LYS 70 H 1 +ATOM 797 N NZ LYS 65 . . B 2 5.773 -0.672 4.344 1 21.3 ? NZ LYS 70 H 1 +ATOM 798 N N HIS 66 . . B 2 3.469 0.918 8.3 1 22.65 ? N HIS 71 H 1 +ATOM 799 C CA HIS 66 . . B 2 2.358 0.498 9.188 1 23.09 ? CA HIS 71 H 1 +ATOM 800 C C HIS 66 . . B 2 2.159 -0.987 8.797 1 23.89 ? C HIS 71 H 1 +ATOM 801 O O HIS 66 . . B 2 2.349 -2.005 9.463 1 24.17 ? O HIS 71 H 1 +ATOM 802 C CB HIS 66 . . B 2 1.075 1.3 8.94 1 24.13 ? CB HIS 71 H 1 +ATOM 803 C CG HIS 66 . . B 2 -0.094 0.926 9.785 1 19.83 ? CG HIS 71 H 1 +ATOM 804 N ND1 HIS 66 . . B 2 -0.087 0.983 11.128 1 20.41 ? ND1 HIS 71 H 1 +ATOM 805 C CD2 HIS 66 . . B 2 -1.286 0.359 9.52 1 21.23 ? CD2 HIS 71 H 1 +ATOM 806 C CE1 HIS 66 . . B 2 -1.142 0.448 11.705 1 18.4 ? CE1 HIS 71 H 1 +ATOM 807 N NE2 HIS 66 . . B 2 -1.965 0.241 10.716 1 19.22 ? NE2 HIS 71 H 1 +ATOM 808 N N SER 67 . . B 2 2.04 -1.168 7.482 1 24.97 ? N SER 72 H 1 +ATOM 809 C CA SER 67 . . B 2 1.888 -2.536 6.922 1 25.38 ? CA SER 72 H 1 +ATOM 810 C C SER 67 . . B 2 3.251 -3.233 7.031 1 24.79 ? C SER 72 H 1 +ATOM 811 O O SER 67 . . B 2 4.141 -2.675 6.387 1 24.75 ? O SER 72 H 1 +ATOM 812 C CB SER 67 . . B 2 1.353 -2.615 5.496 1 23.3 ? CB SER 72 H 1 +ATOM 813 O OG SER 67 . . B 2 1.618 -3.851 4.824 1 28.12 ? OG SER 72 H 1 +ATOM 814 N N ARG 68 . . B 2 3.178 -4.494 7.431 1 25.93 ? N ARG 73 H 1 +ATOM 815 C CA ARG 68 . . B 2 4.346 -5.36 7.522 1 26.6 ? CA ARG 73 H 1 +ATOM 816 C C ARG 68 . . B 2 5.027 -5.615 6.194 1 27.43 ? C ARG 73 H 1 +ATOM 817 O O ARG 68 . . B 2 6.197 -5.229 6.098 1 29.21 ? O ARG 73 H 1 +ATOM 818 C CB ARG 68 . . B 2 4.104 -6.722 8.17 1 26.91 ? CB ARG 73 H 1 +ATOM 819 C CG ARG 68 . . B 2 5.451 -7.545 8.09 1 27.85 ? CG ARG 73 H 1 +ATOM 820 C CD ARG 68 . . B 2 5.295 -8.644 9.086 1 29.37 ? CD ARG 73 H 1 +ATOM 821 N NE ARG 68 . . B 2 4.073 -9.394 8.721 1 31.9 ? NE ARG 73 H 1 +ATOM 822 C CZ ARG 68 . . B 2 4.124 -10.268 7.676 1 33.8 ? CZ ARG 73 H 1 +ATOM 823 N NH1 ARG 68 . . B 2 5.241 -10.749 7.146 1 31.17 ? NH1 ARG 73 H 1 +ATOM 824 N NH2 ARG 68 . . B 2 3.054 -10.885 7.117 1 35.3 ? NH2 ARG 73 H 1 +ATOM 825 N N THR 69 . . B 2 4.294 -6.046 5.182 1 28.86 ? N THR 74 H 1 +ATOM 826 C CA THR 69 . . B 2 4.884 -6.391 3.868 1 29.3 ? CA THR 74 H 1 +ATOM 827 C C THR 69 . . B 2 4.613 -5.499 2.648 1 30.29 ? C THR 74 H 1 +ATOM 828 O O THR 69 . . B 2 5.472 -5.291 1.738 1 29.27 ? O THR 74 H 1 +ATOM 829 C CB THR 69 . . B 2 4.308 -7.818 3.599 1 27.85 ? CB THR 74 H 1 +ATOM 830 O OG1 THR 69 . . B 2 2.923 -7.402 3.29 1 30.72 ? OG1 THR 74 H 1 +ATOM 831 C CG2 THR 69 . . B 2 4.204 -8.766 4.778 1 26.95 ? CG2 THR 74 H 1 +ATOM 832 N N ARG 70 . . B 2 3.563 -4.689 2.717 1 30.61 ? N ARG 75 H 1 +ATOM 833 C CA ARG 70 . . B 2 3.302 -3.794 1.589 1 32.09 ? CA ARG 75 H 1 +ATOM 834 C C ARG 70 . . B 2 4.236 -2.638 1.451 1 31.58 ? C ARG 75 H 1 +ATOM 835 O O ARG 70 . . B 2 4.656 -2.112 2.485 1 32.39 ? O ARG 75 H 1 +ATOM 836 C CB ARG 70 . . B 2 1.837 -3.369 1.75 1 34.59 ? CB ARG 75 H 1 +ATOM 837 C CG ARG 70 . . B 2 1.077 -4.609 1.146 1 40.28 ? CG ARG 75 H 1 +ATOM 838 C CD ARG 70 . . B 2 1.188 -4.464 -0.35 1 42.25 ? CD ARG 75 H 1 +ATOM 839 N NE ARG 70 . . B 2 1.083 -5.733 -1.047 1 44.7 ? NE ARG 75 H 1 +ATOM 840 C CZ ARG 70 . . B 2 1.031 -5.835 -2.367 1 43.97 ? CZ ARG 75 H 1 +ATOM 841 N NH1 ARG 70 . . B 2 0.612 -4.8 -3.075 1 45.43 ? NH1 ARG 75 H 1 +ATOM 842 N NH2 ARG 70 . . B 2 1.158 -6.979 -3.033 1 43.99 ? NH2 ARG 75 H 1 +ATOM 843 N N TYR 71 . . B 2 4.465 -2.146 0.256 1 31.8 ? N TYR 76 H 1 +ATOM 844 C CA TYR 71 . . B 2 5.322 -0.935 0.104 1 32.3 ? CA TYR 76 H 1 +ATOM 845 C C TYR 71 . . B 2 4.386 0.266 0.175 1 31.91 ? C TYR 76 H 1 +ATOM 846 O O TYR 71 . . B 2 3.428 0.254 -0.629 1 32.01 ? O TYR 76 H 1 +ATOM 847 C CB TYR 71 . . B 2 6.092 -0.996 -1.208 1 36.83 ? CB TYR 76 H 1 +ATOM 848 C CG TYR 71 . . B 2 6.697 0.352 -1.582 1 39.86 ? CG TYR 76 H 1 +ATOM 849 C CD1 TYR 71 . . B 2 7.68 0.922 -0.766 1 41.19 ? CD1 TYR 76 H 1 +ATOM 850 C CD2 TYR 71 . . B 2 6.264 1.013 -2.734 1 38.71 ? CD2 TYR 76 H 1 +ATOM 851 C CE1 TYR 71 . . B 2 8.233 2.16 -1.106 1 41 ? CE1 TYR 76 H 1 +ATOM 852 C CE2 TYR 71 . . B 2 6.816 2.251 -3.073 1 38.22 ? CE2 TYR 76 H 1 +ATOM 853 C CZ TYR 71 . . B 2 7.799 2.824 -2.26 1 39.48 ? CZ TYR 76 H 1 +ATOM 854 O OH TYR 71 . . B 2 8.331 4.028 -2.592 1 39.95 ? OH TYR 76 H 1 +ATOM 855 N N GLU 72 . . B 2 4.427 1.059 1.217 1 31.06 ? N GLU 77 H 1 +ATOM 856 C CA GLU 72 . . B 2 3.462 2.168 1.414 1 30.27 ? CA GLU 77 H 1 +ATOM 857 C C GLU 72 . . B 2 3.945 3.405 0.672 1 31.98 ? C GLU 77 H 1 +ATOM 858 O O GLU 72 . . B 2 4.777 4.262 1.069 1 31.61 ? O GLU 77 H 1 +ATOM 859 C CB GLU 72 . . B 2 3.296 2.245 2.9 1 26.8 ? CB GLU 77 H 1 +ATOM 860 C CG GLU 72 . . B 2 2.52 1.112 3.536 1 25.18 ? CG GLU 77 H 1 +ATOM 861 C CD GLU 72 . . B 2 2.616 0.859 4.982 1 23.78 ? CD GLU 77 H 1 +ATOM 862 O OE1 GLU 72 . . B 2 3.79 0.483 5.288 1 24.47 ? OE1 GLU 77 H 1 +ATOM 863 O OE2 GLU 72 . . B 2 1.707 0.746 5.806 1 25.3 ? OE2 GLU 77 H 1 +ATOM 864 N N ARG 73 . A B 2 3.624 3.31 -0.611 1 32.07 ? N ARG 77 H 1 +ATOM 865 C CA ARG 73 . A B 2 3.951 4.126 -1.746 1 33.51 ? CA ARG 77 H 1 +ATOM 866 C C ARG 73 . A B 2 4.104 5.604 -1.473 1 34.89 ? C ARG 77 H 1 +ATOM 867 O O ARG 73 . A B 2 5.064 6.024 -2.222 1 38.36 ? O ARG 77 H 1 +ATOM 868 C CB ARG 73 . A B 2 3.062 3.964 -2.997 1 33.79 ? CB ARG 77 H 1 +ATOM 869 C CG ARG 73 . A B 2 3.586 4.881 -4.134 1 33.61 ? CG ARG 77 H 1 +ATOM 870 C CD ARG 73 . A B 2 3.242 4.254 -5.438 1 32.13 ? CD ARG 77 H 1 +ATOM 871 N NE ARG 73 . A B 2 1.911 3.63 -5.321 1 32.01 ? NE ARG 77 H 1 +ATOM 872 C CZ ARG 73 . A B 2 0.918 4.227 -6.012 1 33.29 ? CZ ARG 77 H 1 +ATOM 873 N NH1 ARG 73 . A B 2 1.236 5.329 -6.722 1 32.44 ? NH1 ARG 77 H 1 +ATOM 874 N NH2 ARG 73 . A B 2 -0.332 3.754 -6.039 1 31.44 ? NH2 ARG 77 H 1 +ATOM 875 N N ASN 74 . . B 2 3.287 6.383 -0.779 1 33.42 ? N ASN 78 H 1 +ATOM 876 C CA ASN 74 . . B 2 3.738 7.793 -0.583 1 31.74 ? CA ASN 78 H 1 +ATOM 877 C C ASN 74 . . B 2 3.709 8.175 0.899 1 31.79 ? C ASN 78 H 1 +ATOM 878 O O ASN 74 . . B 2 3.634 9.362 1.264 1 31.3 ? O ASN 78 H 1 +ATOM 879 C CB ASN 74 . . B 2 2.941 8.788 -1.395 1 32.14 ? CB ASN 78 H 1 +ATOM 880 C CG ASN 74 . . B 2 2.898 8.654 -2.889 1 30.3 ? CG ASN 78 H 1 +ATOM 881 O OD1 ASN 74 . . B 2 1.749 8.661 -3.369 1 32.59 ? OD1 ASN 78 H 1 +ATOM 882 N ND2 ASN 74 . . B 2 3.951 8.534 -3.692 1 31.5 ? ND2 ASN 78 H 1 +ATOM 883 N N ILE 75 . . B 2 3.778 7.176 1.756 1 31.15 ? N ILE 79 H 1 +ATOM 884 C CA ILE 75 . . B 2 3.781 7.245 3.189 1 29.56 ? CA ILE 79 H 1 +ATOM 885 C C ILE 75 . . B 2 5.158 6.869 3.717 1 29.2 ? C ILE 79 H 1 +ATOM 886 O O ILE 75 . . B 2 5.809 7.838 4.191 1 27.15 ? O ILE 79 H 1 +ATOM 887 C CB ILE 75 . . B 2 2.512 6.709 3.885 1 30.17 ? CB ILE 79 H 1 +ATOM 888 C CG1 ILE 75 . . B 2 2.853 5.603 4.883 1 32.43 ? CG1 ILE 79 H 1 +ATOM 889 C CG2 ILE 75 . . B 2 1.304 6.308 3.01 1 31.28 ? CG2 ILE 79 H 1 +ATOM 890 C CD1 ILE 75 . . B 2 3.063 6.054 6.354 1 36.07 ? CD1 ILE 79 H 1 +ATOM 891 N N GLU 76 . . B 2 5.769 5.741 3.378 1 29.04 ? N GLU 80 H 1 +ATOM 892 C CA GLU 76 . . B 2 7.078 5.333 3.968 1 27.91 ? CA GLU 80 H 1 +ATOM 893 C C GLU 76 . . B 2 8.264 5.85 3.204 1 27.97 ? C GLU 80 H 1 +ATOM 894 O O GLU 76 . . B 2 7.984 6.231 2.043 1 29.03 ? O GLU 80 H 1 +ATOM 895 C CB GLU 76 . . B 2 7.168 3.799 3.96 1 30.5 ? CB GLU 80 H 1 +ATOM 896 C CG GLU 76 . . B 2 7.521 3.127 2.641 1 29.09 ? CG GLU 80 H 1 +ATOM 897 C CD GLU 76 . . B 2 7.722 1.616 2.627 1 30.79 ? CD GLU 80 H 1 +ATOM 898 O OE1 GLU 76 . . B 2 6.821 0.801 2.685 1 25.61 ? OE1 GLU 80 H 1 +ATOM 899 O OE2 GLU 76 . . B 2 8.96 1.361 2.598 1 28.08 ? OE2 GLU 80 H 1 +ATOM 900 N N LYS 77 . . B 2 9.423 6.039 3.797 1 27.69 ? N LYS 81 H 1 +ATOM 901 C CA LYS 77 . . B 2 10.647 6.491 3.137 1 28.4 ? CA LYS 81 H 1 +ATOM 902 C C LYS 77 . . B 2 11.756 5.482 3.487 1 28.89 ? C LYS 81 H 1 +ATOM 903 O O LYS 77 . . B 2 11.796 4.939 4.599 1 28.44 ? O LYS 81 H 1 +ATOM 904 C CB LYS 77 . . B 2 11.119 7.888 3.427 1 33.22 ? CB LYS 81 H 1 +ATOM 905 C CG LYS 77 . . B 2 10.293 9.023 2.78 1 38.44 ? CG LYS 81 H 1 +ATOM 906 C CD LYS 77 . . B 2 9.404 9.684 3.829 1 43.81 ? CD LYS 81 H 1 +ATOM 907 C CE LYS 77 . . B 2 9.125 11.184 3.673 1 45.81 ? CE LYS 81 H 1 +ATOM 908 N NZ LYS 77 . . B 2 8.651 11.781 4.969 1 46.46 ? NZ LYS 81 H 1 +ATOM 909 N N ILE 78 . . B 2 12.514 5.075 2.525 1 28.2 ? N ILE 82 H 1 +ATOM 910 C CA ILE 78 . . B 2 13.575 4.071 2.627 1 29.87 ? CA ILE 82 H 1 +ATOM 911 C C ILE 78 . . B 2 14.951 4.743 2.628 1 31.08 ? C ILE 82 H 1 +ATOM 912 O O ILE 78 . . B 2 14.982 5.79 1.911 1 33.11 ? O ILE 82 H 1 +ATOM 913 C CB ILE 78 . . B 2 13.347 3.126 1.415 1 29.2 ? CB ILE 82 H 1 +ATOM 914 C CG1 ILE 78 . . B 2 11.841 2.778 1.389 1 26.43 ? CG1 ILE 82 H 1 +ATOM 915 C CG2 ILE 78 . . B 2 14.218 1.844 1.492 1 31.25 ? CG2 ILE 82 H 1 +ATOM 916 C CD1 ILE 78 . . B 2 11.579 1.55 0.456 1 28.09 ? CD1 ILE 82 H 1 +ATOM 917 N N SER 79 . . B 2 15.885 4.401 3.465 1 29.48 ? N SER 83 H 1 +ATOM 918 C CA SER 79 . . B 2 17.182 5.066 3.416 1 31.25 ? CA SER 83 H 1 +ATOM 919 C C SER 79 . . B 2 18.294 4.043 3.515 1 33.29 ? C SER 83 H 1 +ATOM 920 O O SER 79 . . B 2 18.068 2.875 3.901 1 33.69 ? O SER 83 H 1 +ATOM 921 C CB SER 79 . . B 2 17.378 6.133 4.449 1 29.47 ? CB SER 83 H 1 +ATOM 922 O OG SER 79 . . B 2 16.051 6.474 4.847 1 31.22 ? OG SER 83 H 1 +ATOM 923 N N MET 80 . . B 2 19.392 4.533 2.973 1 35.37 ? N MET 84 H 1 +ATOM 924 C CA MET 80 . . B 2 20.625 3.726 2.902 1 36.99 ? CA MET 84 H 1 +ATOM 925 C C MET 80 . . B 2 21.389 4.233 4.149 1 35.96 ? C MET 84 H 1 +ATOM 926 O O MET 80 . . B 2 21.191 5.391 4.515 1 35.69 ? O MET 84 H 1 +ATOM 927 C CB MET 80 . . B 2 21.463 3.934 1.674 1 41.62 ? CB MET 84 H 1 +ATOM 928 C CG MET 80 . . B 2 20.732 4.041 0.363 1 47.09 ? CG MET 84 H 1 +ATOM 929 S SD MET 80 . . B 2 21.199 2.627 -0.679 1 50 ? SD MET 84 H 1 +ATOM 930 C CE MET 80 . . B 2 19.675 1.607 -0.634 1 47.09 ? CE MET 84 H 1 +ATOM 931 N N LEU 81 . . B 2 22.263 3.351 4.587 1 35.52 ? N LEU 85 H 1 +ATOM 932 C CA LEU 81 . . B 2 23.096 3.69 5.757 1 35.11 ? CA LEU 85 H 1 +ATOM 933 C C LEU 81 . . B 2 24.511 3.989 5.235 1 34.53 ? C LEU 85 H 1 +ATOM 934 O O LEU 81 . . B 2 25.054 3.434 4.284 1 34.1 ? O LEU 85 H 1 +ATOM 935 C CB LEU 81 . . B 2 23.092 2.633 6.881 1 30.69 ? CB LEU 85 H 1 +ATOM 936 C CG LEU 81 . . B 2 21.781 1.891 6.997 1 28.23 ? CG LEU 85 H 1 +ATOM 937 C CD1 LEU 81 . . B 2 22.05 0.474 7.463 1 28 ? CD1 LEU 85 H 1 +ATOM 938 C CD2 LEU 81 . . B 2 20.863 2.621 7.961 1 28.63 ? CD2 LEU 85 H 1 +ATOM 939 N N GLU 82 . . B 2 25.011 4.878 6.055 1 36.24 ? N GLU 86 H 1 +ATOM 940 C CA GLU 82 . . B 2 26.346 5.419 5.909 1 38.28 ? CA GLU 86 H 1 +ATOM 941 C C GLU 82 . . B 2 27.264 4.67 6.876 1 38.3 ? C GLU 86 H 1 +ATOM 942 O O GLU 82 . . B 2 28.396 4.37 6.471 1 40.52 ? O GLU 86 H 1 +ATOM 943 C CB GLU 82 . . B 2 26.376 6.906 6.244 1 37.66 ? CB GLU 86 H 1 +ATOM 944 C CG GLU 82 . . B 2 27.392 7.701 5.426 1 44.13 ? CG GLU 86 H 1 +ATOM 945 C CD GLU 82 . . B 2 27.615 9.078 6 1 47.43 ? CD GLU 86 H 1 +ATOM 946 O OE1 GLU 82 . . B 2 28.504 9.022 6.896 1 49.17 ? OE1 GLU 86 H 1 +ATOM 947 O OE2 GLU 82 . . B 2 26.905 10.043 5.704 1 49.34 ? OE2 GLU 86 H 1 +ATOM 948 N N LYS 83 . . B 2 26.853 4.358 8.081 1 37.81 ? N LYS 87 H 1 +ATOM 949 C CA LYS 83 . . B 2 27.708 3.673 9.051 1 36.45 ? CA LYS 87 H 1 +ATOM 950 C C LYS 83 . . B 2 26.852 2.903 10.043 1 36.43 ? C LYS 87 H 1 +ATOM 951 O O LYS 83 . . B 2 25.667 3.225 10.215 1 35.61 ? O LYS 87 H 1 +ATOM 952 C CB LYS 83 . . B 2 28.545 4.655 9.861 1 39.1 ? CB LYS 87 H 1 +ATOM 953 C CG LYS 83 . . B 2 29.916 5.001 9.238 1 36.25 ? CG LYS 87 H 1 +ATOM 954 C CD LYS 83 . . B 2 30.689 3.692 9.155 1 39.12 ? CD LYS 87 H 1 +ATOM 955 C CE LYS 83 . . B 2 30.362 2.746 10.296 1 39.82 ? CE LYS 87 H 1 +ATOM 956 N NZ LYS 83 . . B 2 31.597 2.046 10.761 1 41.1 ? NZ LYS 87 H 1 +ATOM 957 N N ILE 84 . . B 2 27.528 1.893 10.602 1 35.99 ? N ILE 88 H 1 +ATOM 958 C CA ILE 84 . . B 2 26.984 0.961 11.62 1 34.38 ? CA ILE 88 H 1 +ATOM 959 C C ILE 84 . . B 2 28.065 1.006 12.728 1 33.18 ? C ILE 88 H 1 +ATOM 960 O O ILE 84 . . B 2 29.248 1.126 12.403 1 32.76 ? O ILE 88 H 1 +ATOM 961 C CB ILE 84 . . B 2 26.643 -0.513 11.22 1 33.39 ? CB ILE 88 H 1 +ATOM 962 C CG1 ILE 84 . . B 2 25.551 -0.609 10.126 1 34 ? CG1 ILE 88 H 1 +ATOM 963 C CG2 ILE 84 . . B 2 26.196 -1.382 12.421 1 32.94 ? CG2 ILE 88 H 1 +ATOM 964 C CD1 ILE 84 . . B 2 24.972 -2.023 9.881 1 32.95 ? CD1 ILE 88 H 1 +ATOM 965 N N TYR 85 . . B 2 27.606 1.208 13.932 1 32.44 ? N TYR 89 H 1 +ATOM 966 C CA TYR 85 . . B 2 28.505 1.329 15.08 1 30.73 ? CA TYR 89 H 1 +ATOM 967 C C TYR 85 . . B 2 27.915 0.449 16.172 1 28.96 ? C TYR 89 H 1 +ATOM 968 O O TYR 85 . . B 2 26.886 0.921 16.639 1 29.35 ? O TYR 89 H 1 +ATOM 969 C CB TYR 85 . . B 2 28.574 2.744 15.61 1 31.76 ? CB TYR 89 H 1 +ATOM 970 C CG TYR 85 . . B 2 29.071 3.828 14.667 1 33.85 ? CG TYR 89 H 1 +ATOM 971 C CD1 TYR 85 . . B 2 28.189 4.425 13.761 1 33.82 ? CD1 TYR 89 H 1 +ATOM 972 C CD2 TYR 85 . . B 2 30.401 4.246 14.744 1 34.82 ? CD2 TYR 89 H 1 +ATOM 973 C CE1 TYR 85 . . B 2 28.642 5.453 12.929 1 37.45 ? CE1 TYR 89 H 1 +ATOM 974 C CE2 TYR 85 . . B 2 30.854 5.276 13.915 1 35.55 ? CE2 TYR 89 H 1 +ATOM 975 C CZ TYR 85 . . B 2 29.974 5.881 13.01 1 36.59 ? CZ TYR 89 H 1 +ATOM 976 O OH TYR 85 . . B 2 30.417 6.886 12.211 1 38.96 ? OH TYR 89 H 1 +ATOM 977 N N ILE 86 . . B 2 28.638 -0.569 16.596 1 28.7 ? N ILE 90 H 1 +ATOM 978 C CA ILE 86 . . B 2 28.175 -1.469 17.669 1 27.39 ? CA ILE 90 H 1 +ATOM 979 C C ILE 86 . . B 2 28.895 -1.016 18.932 1 26.5 ? C ILE 90 H 1 +ATOM 980 O O ILE 86 . . B 2 30.003 -0.47 18.741 1 27.8 ? O ILE 90 H 1 +ATOM 981 C CB ILE 86 . . B 2 28.46 -2.959 17.337 1 27.04 ? CB ILE 90 H 1 +ATOM 982 C CG1 ILE 86 . . B 2 28.108 -3.235 15.857 1 27.49 ? CG1 ILE 90 H 1 +ATOM 983 C CG2 ILE 86 . . B 2 27.711 -3.937 18.289 1 25.02 ? CG2 ILE 90 H 1 +ATOM 984 C CD1 ILE 86 . . B 2 26.615 -3.581 15.606 1 30.91 ? CD1 ILE 90 H 1 +ATOM 985 N N HIS 87 . . B 2 28.289 -1.22 20.069 1 26.77 ? N HIS 91 H 1 +ATOM 986 C CA HIS 87 . . B 2 28.974 -0.876 21.343 1 26.36 ? CA HIS 91 H 1 +ATOM 987 C C HIS 87 . . B 2 30.231 -1.727 21.388 1 27.63 ? C HIS 91 H 1 +ATOM 988 O O HIS 87 . . B 2 30.172 -2.955 21.206 1 27.45 ? O HIS 91 H 1 +ATOM 989 C CB HIS 87 . . B 2 28.185 -1.096 22.632 1 25.09 ? CB HIS 91 H 1 +ATOM 990 C CG HIS 87 . . B 2 28.715 -0.445 23.904 1 24.34 ? CG HIS 91 H 1 +ATOM 991 N ND1 HIS 87 . . B 2 29.992 -0.689 24.394 1 23.25 ? ND1 HIS 91 H 1 +ATOM 992 C CD2 HIS 87 . . B 2 28.124 0.41 24.78 1 22.31 ? CD2 HIS 91 H 1 +ATOM 993 C CE1 HIS 87 . . B 2 30.136 -0.005 25.517 1 20.27 ? CE1 HIS 91 H 1 +ATOM 994 N NE2 HIS 87 . . B 2 29.031 0.655 25.76 1 17.71 ? NE2 HIS 91 H 1 +ATOM 995 N N PRO 88 . . B 2 31.403 -1.136 21.601 1 28.31 ? N PRO 92 H 1 +ATOM 996 C CA PRO 88 . . B 2 32.633 -1.894 21.601 1 27.39 ? CA PRO 92 H 1 +ATOM 997 C C PRO 88 . . B 2 32.619 -2.997 22.637 1 27.54 ? C PRO 92 H 1 +ATOM 998 O O PRO 88 . . B 2 33.435 -3.961 22.512 1 29.74 ? O PRO 92 H 1 +ATOM 999 C CB PRO 88 . . B 2 33.699 -0.86 21.878 1 28.17 ? CB PRO 92 H 1 +ATOM 1000 C CG PRO 88 . . B 2 33.013 0.489 22.018 1 28.15 ? CG PRO 92 H 1 +ATOM 1001 C CD PRO 88 . . B 2 31.54 0.301 21.839 1 27.12 ? CD PRO 92 H 1 +ATOM 1002 N N ARG 89 . . B 2 31.725 -2.885 23.614 1 25.79 ? N ARG 93 H 1 +ATOM 1003 C CA ARG 89 . . B 2 31.667 -3.854 24.735 1 25.57 ? CA ARG 93 H 1 +ATOM 1004 C C ARG 89 . . B 2 30.379 -4.67 24.788 1 24.92 ? C ARG 93 H 1 +ATOM 1005 O O ARG 89 . . B 2 30.04 -5.079 25.918 1 25.67 ? O ARG 93 H 1 +ATOM 1006 C CB ARG 89 . . B 2 31.776 -3.133 26.061 1 28.97 ? CB ARG 93 H 1 +ATOM 1007 C CG ARG 89 . . B 2 33.076 -2.364 26.168 1 32.52 ? CG ARG 93 H 1 +ATOM 1008 C CD ARG 89 . . B 2 33.986 -2.889 27.266 1 35.39 ? CD ARG 93 H 1 +ATOM 1009 N NE ARG 89 . . B 2 33.697 -2.191 28.487 1 37.07 ? NE ARG 93 H 1 +ATOM 1010 C CZ ARG 89 . . B 2 33.653 -2.662 29.723 1 37.09 ? CZ ARG 93 H 1 +ATOM 1011 N NH1 ARG 89 . . B 2 33.956 -3.926 30.034 1 36.96 ? NH1 ARG 93 H 1 +ATOM 1012 N NH2 ARG 89 . . B 2 33.26 -1.901 30.737 1 36.34 ? NH2 ARG 93 H 1 +ATOM 1013 N N TYR 90 . . B 2 29.665 -4.777 23.683 1 24.57 ? N TYR 94 H 1 +ATOM 1014 C CA TYR 90 . . B 2 28.505 -5.688 23.548 1 23.44 ? CA TYR 94 H 1 +ATOM 1015 C C TYR 90 . . B 2 28.953 -7.17 23.84 1 22.8 ? C TYR 94 H 1 +ATOM 1016 O O TYR 90 . . B 2 29.83 -7.775 23.156 1 21.46 ? O TYR 94 H 1 +ATOM 1017 C CB TYR 90 . . B 2 27.98 -5.545 22.104 1 18.7 ? CB TYR 94 H 1 +ATOM 1018 C CG TYR 90 . . B 2 27.216 -6.67 21.45 1 16.94 ? CG TYR 94 H 1 +ATOM 1019 C CD1 TYR 90 . . B 2 26.177 -7.336 22.112 1 15.34 ? CD1 TYR 94 H 1 +ATOM 1020 C CD2 TYR 90 . . B 2 27.559 -6.985 20.139 1 18.56 ? CD2 TYR 94 H 1 +ATOM 1021 C CE1 TYR 90 . . B 2 25.477 -8.348 21.434 1 16.75 ? CE1 TYR 94 H 1 +ATOM 1022 C CE2 TYR 90 . . B 2 26.863 -7.988 19.465 1 17.26 ? CE2 TYR 94 H 1 +ATOM 1023 C CZ TYR 90 . . B 2 25.824 -8.668 20.109 1 17.87 ? CZ TYR 94 H 1 +ATOM 1024 O OH TYR 90 . . B 2 25.155 -9.638 19.432 1 24.03 ? OH TYR 94 H 1 +ATOM 1025 N N ASN 91 . . B 2 28.331 -7.815 24.826 1 21.92 ? N ASN 95 H 1 +ATOM 1026 C CA ASN 91 . . B 2 28.692 -9.203 25.108 1 22.83 ? CA ASN 95 H 1 +ATOM 1027 C C ASN 91 . . B 2 27.93 -10.254 24.286 1 23.69 ? C ASN 95 H 1 +ATOM 1028 O O ASN 91 . . B 2 26.893 -10.856 24.72 1 23.13 ? O ASN 95 H 1 +ATOM 1029 C CB ASN 91 . . B 2 28.618 -9.497 26.626 1 22.84 ? CB ASN 95 H 1 +ATOM 1030 C CG ASN 91 . . B 2 29.585 -10.646 27.003 1 24.7 ? CG ASN 95 H 1 +ATOM 1031 O OD1 ASN 91 . . B 2 30.116 -11.394 26.145 1 23.39 ? OD1 ASN 95 H 1 +ATOM 1032 N ND2 ASN 91 . . B 2 29.81 -10.783 28.308 1 21.32 ? ND2 ASN 95 H 1 +ATOM 1033 N N TRP 92 . . B 2 28.43 -10.512 23.085 1 24.22 ? N TRP 96 H 1 +ATOM 1034 C CA TRP 92 . . B 2 27.662 -11.602 22.389 1 27.38 ? CA TRP 96 H 1 +ATOM 1035 C C TRP 92 . . B 2 28.011 -12.986 22.943 1 28.42 ? C TRP 96 H 1 +ATOM 1036 O O TRP 92 . . B 2 27.292 -13.892 22.569 1 28.44 ? O TRP 96 H 1 +ATOM 1037 C CB TRP 92 . . B 2 27.804 -11.546 20.881 1 27.02 ? CB TRP 96 H 1 +ATOM 1038 C CG TRP 92 . . B 2 29.259 -11.512 20.458 1 28.36 ? CG TRP 96 H 1 +ATOM 1039 C CD1 TRP 92 . . B 2 30.006 -10.429 20.195 1 29.4 ? CD1 TRP 96 H 1 +ATOM 1040 C CD2 TRP 92 . . B 2 30.055 -12.656 20.284 1 29.75 ? CD2 TRP 96 H 1 +ATOM 1041 N NE1 TRP 92 . . B 2 31.312 -10.902 19.852 1 29.43 ? NE1 TRP 96 H 1 +ATOM 1042 C CE2 TRP 92 . . B 2 31.317 -12.216 19.912 1 30.9 ? CE2 TRP 96 H 1 +ATOM 1043 C CE3 TRP 92 . . B 2 29.806 -14.025 20.405 1 29.48 ? CE3 TRP 96 H 1 +ATOM 1044 C CZ2 TRP 92 . . B 2 32.375 -13.093 19.653 1 29.71 ? CZ2 TRP 96 H 1 +ATOM 1045 C CZ3 TRP 92 . . B 2 30.873 -14.899 20.135 1 26.38 ? CZ3 TRP 96 H 1 +ATOM 1046 C CH2 TRP 92 . . B 2 32.098 -14.453 19.777 1 29.88 ? CH2 TRP 96 H 1 +ATOM 1047 N N ARG 93 . . B 2 29.106 -13.163 23.623 1 30.18 ? N ARG 97 H 1 +ATOM 1048 C CA ARG 93 . . B 2 29.608 -14.421 24.156 1 31.89 ? CA ARG 97 H 1 +ATOM 1049 C C ARG 93 . . B 2 28.828 -15 25.328 1 32.14 ? C ARG 97 H 1 +ATOM 1050 O O ARG 93 . . B 2 28.581 -16.224 25.361 1 32.68 ? O ARG 97 H 1 +ATOM 1051 C CB ARG 93 . . B 2 31.103 -14.263 24.503 1 35.58 ? CB ARG 97 H 1 +ATOM 1052 C CG ARG 93 . . B 2 32.105 -14.109 23.379 1 36.96 ? CG ARG 97 H 1 +ATOM 1053 C CD ARG 93 . . B 2 33.498 -14.51 23.708 1 41.78 ? CD ARG 97 H 1 +ATOM 1054 N NE ARG 93 . . B 2 34.101 -15.371 22.618 1 46.82 ? NE ARG 97 H 1 +ATOM 1055 C CZ ARG 93 . . B 2 34.834 -14.652 21.739 1 46.92 ? CZ ARG 97 H 1 +ATOM 1056 N NH1 ARG 93 . . B 2 34.991 -13.36 22.077 1 45.64 ? NH1 ARG 97 H 1 +ATOM 1057 N NH2 ARG 93 . . B 2 35.417 -15.093 20.64 1 47.61 ? NH2 ARG 97 H 1 +ATOM 1058 N N GLU 94 . A B 2 28.371 -14.157 26.311 1 31.08 ? N GLU 97 H 1 +ATOM 1059 C CA GLU 94 . A B 2 27.632 -14.74 27.441 1 28.36 ? CA GLU 97 H 1 +ATOM 1060 C C GLU 94 . A B 2 26.186 -14.23 27.476 1 26.74 ? C GLU 97 H 1 +ATOM 1061 O O GLU 94 . A B 2 25.237 -15.017 27.32 1 24.29 ? O GLU 97 H 1 +ATOM 1062 C CB GLU 94 . A B 2 28.269 -14.392 28.815 1 28.07 ? CB GLU 97 H 1 +ATOM 1063 C CG GLU 94 . A B 2 27.517 -15.153 29.91 1 36.95 ? CG GLU 97 H 1 +ATOM 1064 C CD GLU 94 . A B 2 27.414 -14.582 31.336 1 41.47 ? CD GLU 97 H 1 +ATOM 1065 O OE1 GLU 94 . A B 2 28.318 -13.798 31.843 1 42.5 ? OE1 GLU 97 H 1 +ATOM 1066 O OE2 GLU 94 . A B 2 26.391 -14.933 32.027 1 45.36 ? OE2 GLU 97 H 1 +ATOM 1067 N N ASN 95 . . B 2 25.913 -12.903 27.853 1 23.73 ? N ASN 98 H 1 +ATOM 1068 C CA ASN 95 . . B 2 24.528 -12.485 28.027 1 21.91 ? CA ASN 98 H 1 +ATOM 1069 C C ASN 95 . . B 2 23.975 -11.337 27.15 1 22.83 ? C ASN 98 H 1 +ATOM 1070 O O ASN 95 . . B 2 22.864 -10.909 27.536 1 22.53 ? O ASN 98 H 1 +ATOM 1071 C CB ASN 95 . . B 2 24.376 -12.235 29.527 1 17.95 ? CB ASN 98 H 1 +ATOM 1072 C CG ASN 95 . . B 2 25.429 -11.173 29.957 1 18.53 ? CG ASN 98 H 1 +ATOM 1073 O OD1 ASN 95 . . B 2 26.309 -10.807 29.101 1 16.36 ? OD1 ASN 98 H 1 +ATOM 1074 N ND2 ASN 95 . . B 2 25.187 -10.84 31.198 1 10.5 ? ND2 ASN 98 H 1 +ATOM 1075 N N LEU 96 . . B 2 24.505 -10.95 26.006 1 21.75 ? N LEU 99 H 1 +ATOM 1076 C CA LEU 96 . . B 2 23.953 -9.87 25.189 1 23.69 ? CA LEU 99 H 1 +ATOM 1077 C C LEU 96 . . B 2 23.966 -8.501 25.939 1 22.78 ? C LEU 99 H 1 +ATOM 1078 O O LEU 96 . . B 2 22.961 -7.783 25.928 1 21.49 ? O LEU 99 H 1 +ATOM 1079 C CB LEU 96 . . B 2 22.544 -10.153 24.617 1 23.55 ? CB LEU 99 H 1 +ATOM 1080 C CG LEU 96 . . B 2 22.386 -11.117 23.457 1 27.16 ? CG LEU 99 H 1 +ATOM 1081 C CD1 LEU 96 . . B 2 21.154 -10.872 22.602 1 24.76 ? CD1 LEU 99 H 1 +ATOM 1082 C CD2 LEU 96 . . B 2 23.642 -10.997 22.616 1 27.27 ? CD2 LEU 99 H 1 +ATOM 1083 N N ASP 97 . . B 2 24.916 -8.387 26.864 1 22.61 ? N ASP 100 H 1 +ATOM 1084 C CA ASP 97 . . B 2 25.178 -7.183 27.658 1 19.84 ? CA ASP 100 H 1 +ATOM 1085 C C ASP 97 . . B 2 25.49 -6.08 26.601 1 17.46 ? C ASP 100 H 1 +ATOM 1086 O O ASP 97 . . B 2 26.409 -6.337 25.824 1 14.68 ? O ASP 100 H 1 +ATOM 1087 C CB ASP 97 . . B 2 26.449 -7.355 28.483 1 18.03 ? CB ASP 100 H 1 +ATOM 1088 C CG ASP 97 . . B 2 26.428 -6.479 29.71 1 22.67 ? CG ASP 100 H 1 +ATOM 1089 O OD1 ASP 97 . . B 2 25.33 -6.043 30.189 1 18.97 ? OD1 ASP 100 H 1 +ATOM 1090 O OD2 ASP 97 . . B 2 27.484 -6.327 30.368 1 24.12 ? OD2 ASP 100 H 1 +ATOM 1091 N N ARG 98 . . B 2 24.853 -4.912 26.716 1 17.44 ? N ARG 101 H 1 +ATOM 1092 C CA ARG 98 . . B 2 25.123 -3.785 25.78 1 15.64 ? CA ARG 101 H 1 +ATOM 1093 C C ARG 98 . . B 2 24.727 -4.028 24.369 1 15.4 ? C ARG 101 H 1 +ATOM 1094 O O ARG 98 . . B 2 25.512 -3.811 23.398 1 15.02 ? O ARG 101 H 1 +ATOM 1095 C CB ARG 98 . . B 2 26.583 -3.254 25.839 1 18.74 ? CB ARG 101 H 1 +ATOM 1096 C CG ARG 98 . . B 2 26.928 -2.883 27.271 1 23.33 ? CG ARG 101 H 1 +ATOM 1097 C CD ARG 98 . . B 2 28.286 -2.34 27.47 1 28.44 ? CD ARG 101 H 1 +ATOM 1098 N NE ARG 98 . . B 2 29.204 -3.313 27.989 1 34.18 ? NE ARG 101 H 1 +ATOM 1099 C CZ ARG 98 . . B 2 29.604 -3.51 29.244 1 35.34 ? CZ ARG 101 H 1 +ATOM 1100 N NH1 ARG 98 . . B 2 29.383 -2.627 30.21 1 35.52 ? NH1 ARG 101 H 1 +ATOM 1101 N NH2 ARG 98 . . B 2 30.338 -4.61 29.412 1 34.82 ? NH2 ARG 101 H 1 +ATOM 1102 N N ASP 99 . . B 2 23.573 -4.663 24.25 1 15.42 ? N ASP 102 H 1 +ATOM 1103 C CA ASP 99 . . B 2 22.884 -4.953 22.97 1 16.45 ? CA ASP 102 H 1 +ATOM 1104 C C ASP 99 . . B 2 22.206 -3.633 22.489 1 16.88 ? C ASP 102 H 1 +ATOM 1105 O O ASP 99 . . B 2 21.063 -3.291 22.852 1 17.7 ? O ASP 102 H 1 +ATOM 1106 C CB ASP 99 . . B 2 21.877 -6.045 23.274 1 13.34 ? CB ASP 102 H 1 +ATOM 1107 C CG ASP 99 . . B 2 21.313 -6.688 22.046 1 13.27 ? CG ASP 102 H 1 +ATOM 1108 O OD1 ASP 99 . . B 2 21.913 -6.419 20.987 1 14.09 ? OD1 ASP 102 H 1 +ATOM 1109 O OD2 ASP 99 . . B 2 20.293 -7.416 22.266 1 13.57 ? OD2 ASP 102 H 1 +ATOM 1110 N N ILE 100 . . B 2 23.016 -2.827 21.838 1 18.32 ? N ILE 103 H 1 +ATOM 1111 C CA ILE 100 . . B 2 22.778 -1.453 21.345 1 18.42 ? CA ILE 103 H 1 +ATOM 1112 C C ILE 100 . . B 2 23.767 -1.128 20.213 1 19.65 ? C ILE 103 H 1 +ATOM 1113 O O ILE 100 . . B 2 24.882 -1.655 20.207 1 19.59 ? O ILE 103 H 1 +ATOM 1114 C CB ILE 100 . . B 2 22.877 -0.358 22.477 1 17.3 ? CB ILE 103 H 1 +ATOM 1115 C CG1 ILE 100 . . B 2 22.438 1.057 22.079 1 15.06 ? CG1 ILE 103 H 1 +ATOM 1116 C CG2 ILE 100 . . B 2 24.366 -0.354 22.93 1 14.65 ? CG2 ILE 103 H 1 +ATOM 1117 C CD1 ILE 100 . . B 2 21.605 1.847 23.135 1 17.5 ? CD1 ILE 103 H 1 +ATOM 1118 N N ALA 101 . . B 2 23.298 -0.468 19.116 1 20 ? N ALA 104 H 1 +ATOM 1119 C CA ALA 101 . . B 2 24.074 -0.093 17.934 1 16.99 ? CA ALA 104 H 1 +ATOM 1120 C C ALA 101 . . B 2 23.223 1.052 17.314 1 19.41 ? C ALA 104 H 1 +ATOM 1121 O O ALA 101 . . B 2 22.014 1.17 17.446 1 16.6 ? O ALA 104 H 1 +ATOM 1122 C CB ALA 101 . . B 2 24.233 -1.169 16.889 1 18.71 ? CB ALA 104 H 1 +ATOM 1123 N N LEU 102 . . B 2 23.988 1.916 16.656 1 21.14 ? N LEU 105 H 1 +ATOM 1124 C CA LEU 102 . . B 2 23.588 3.117 15.932 1 23.14 ? CA LEU 105 H 1 +ATOM 1125 C C LEU 102 . . B 2 24.004 2.989 14.455 1 24.9 ? C LEU 105 H 1 +ATOM 1126 O O LEU 102 . . B 2 25.128 2.471 14.258 1 24.95 ? O LEU 105 H 1 +ATOM 1127 C CB LEU 102 . . B 2 24.362 4.301 16.562 1 20.98 ? CB LEU 105 H 1 +ATOM 1128 C CG LEU 102 . . B 2 23.709 4.769 17.849 1 21.69 ? CG LEU 105 H 1 +ATOM 1129 C CD1 LEU 102 . . B 2 24.732 5.385 18.758 1 19.8 ? CD1 LEU 105 H 1 +ATOM 1130 C CD2 LEU 102 . . B 2 22.557 5.677 17.377 1 21.29 ? CD2 LEU 105 H 1 +ATOM 1131 N N MET 103 . . B 2 23.037 3.335 13.632 1 25.93 ? N MET 106 H 1 +ATOM 1132 C CA MET 103 . . B 2 23.065 3.435 12.18 1 27.14 ? CA MET 106 H 1 +ATOM 1133 C C MET 103 . . B 2 22.792 4.897 11.817 1 28.9 ? C MET 106 H 1 +ATOM 1134 O O MET 103 . . B 2 21.743 5.452 12.269 1 30.97 ? O MET 106 H 1 +ATOM 1135 C CB MET 103 . . B 2 21.934 2.57 11.653 1 24.91 ? CB MET 106 H 1 +ATOM 1136 C CG MET 103 . . B 2 22.17 1.177 12.207 1 27.44 ? CG MET 106 H 1 +ATOM 1137 S SD MET 103 . . B 2 20.725 0.153 11.692 1 31.44 ? SD MET 106 H 1 +ATOM 1138 C CE MET 103 . . B 2 21.578 -0.543 10.24 1 32.35 ? CE MET 106 H 1 +ATOM 1139 N N LYS 104 . . B 2 23.744 5.542 11.201 1 29.88 ? N LYS 107 H 1 +ATOM 1140 C CA LYS 104 . . B 2 23.699 6.936 10.73 1 30.57 ? CA LYS 107 H 1 +ATOM 1141 C C LYS 104 . . B 2 23.41 6.812 9.221 1 30.92 ? C LYS 107 H 1 +ATOM 1142 O O LYS 104 . . B 2 23.922 5.861 8.595 1 30.34 ? O LYS 107 H 1 +ATOM 1143 C CB LYS 104 . . B 2 24.955 7.694 10.974 1 34.19 ? CB LYS 107 H 1 +ATOM 1144 C CG LYS 104 . . B 2 25.8 7.564 9.693 1 37.34 ? CG LYS 107 H 1 +ATOM 1145 C CD LYS 104 . . B 2 25.541 8.916 9.036 1 44.05 ? CD LYS 107 H 1 +ATOM 1146 C CE LYS 104 . . B 2 26.287 10.021 9.771 1 46.28 ? CE LYS 107 H 1 +ATOM 1147 N NZ LYS 104 . . B 2 25.406 10.483 10.89 1 50 ? NZ LYS 107 H 1 +ATOM 1148 N N LEU 105 . . B 2 22.33 7.516 8.873 1 31.34 ? N LEU 108 H 1 +ATOM 1149 C CA LEU 105 . . B 2 21.627 7.442 7.581 1 32.15 ? CA LEU 108 H 1 +ATOM 1150 C C LEU 105 . . B 2 22.424 8.06 6.462 1 32.88 ? C LEU 108 H 1 +ATOM 1151 O O LEU 105 . . B 2 23.161 9.008 6.779 1 32.69 ? O LEU 108 H 1 +ATOM 1152 C CB LEU 105 . . B 2 20.2 7.918 7.807 1 32.11 ? CB LEU 108 H 1 +ATOM 1153 C CG LEU 105 . . B 2 19.291 7.232 8.803 1 33.73 ? CG LEU 108 H 1 +ATOM 1154 C CD1 LEU 105 . . B 2 17.801 7.613 8.662 1 34.31 ? CD1 LEU 108 H 1 +ATOM 1155 C CD2 LEU 105 . . B 2 19.357 5.716 8.671 1 33.81 ? CD2 LEU 108 H 1 +ATOM 1156 N N LYS 106 . . B 2 22.353 7.538 5.241 1 34.21 ? N LYS 109 H 1 +ATOM 1157 C CA LYS 106 . . B 2 23.156 8.146 4.162 1 36.23 ? CA LYS 109 H 1 +ATOM 1158 C C LYS 106 . . B 2 22.778 9.598 3.875 1 36.9 ? C LYS 109 H 1 +ATOM 1159 O O LYS 106 . . B 2 23.597 10.434 3.441 1 37.26 ? O LYS 109 H 1 +ATOM 1160 C CB LYS 106 . . B 2 23.172 7.299 2.876 1 38.82 ? CB LYS 109 H 1 +ATOM 1161 C CG LYS 106 . . B 2 24.644 7.382 2.413 1 44.38 ? CG LYS 109 H 1 +ATOM 1162 C CD LYS 106 . . B 2 25.211 6.204 1.657 1 47.22 ? CD LYS 109 H 1 +ATOM 1163 C CE LYS 106 . . B 2 25.364 6.521 0.172 1 50 ? CE LYS 109 H 1 +ATOM 1164 N NZ LYS 106 . . B 2 24.342 5.887 -0.726 1 50 ? NZ LYS 109 H 1 +ATOM 1165 N N LYS 107 . . B 2 21.567 9.975 4.279 1 37.6 ? N LYS 110 H 1 +ATOM 1166 C CA LYS 107 . . B 2 21.026 11.333 4.143 1 38.22 ? CA LYS 110 H 1 +ATOM 1167 C C LYS 107 . . B 2 19.927 11.536 5.176 1 37.19 ? C LYS 110 H 1 +ATOM 1168 O O LYS 107 . . B 2 19.15 10.6 5.402 1 38.38 ? O LYS 110 H 1 +ATOM 1169 C CB LYS 107 . . B 2 20.361 11.636 2.785 1 40.16 ? CB LYS 110 H 1 +ATOM 1170 C CG LYS 107 . . B 2 20.538 13.13 2.48 1 43.42 ? CG LYS 110 H 1 +ATOM 1171 C CD LYS 107 . . B 2 21.964 13.366 1.959 1 45.75 ? CD LYS 110 H 1 +ATOM 1172 C CE LYS 107 . . B 2 22.22 14.811 1.542 1 47.62 ? CE LYS 110 H 1 +ATOM 1173 N NZ LYS 107 . . B 2 21.683 15.106 0.178 1 49.93 ? NZ LYS 110 H 1 +ATOM 1174 N N PRO 108 . . B 2 19.779 12.759 5.616 1 36.67 ? N PRO 111 H 1 +ATOM 1175 C CA PRO 108 . . B 2 18.761 13.051 6.639 1 35.93 ? CA PRO 111 H 1 +ATOM 1176 C C PRO 108 . . B 2 17.416 12.796 6.011 1 34.87 ? C PRO 111 H 1 +ATOM 1177 O O PRO 108 . . B 2 17.308 12.766 4.794 1 35.04 ? O PRO 111 H 1 +ATOM 1178 C CB PRO 108 . . B 2 19.012 14.495 7.076 1 35.81 ? CB PRO 111 H 1 +ATOM 1179 C CG PRO 108 . . B 2 20.195 15 6.245 1 35.58 ? CG PRO 111 H 1 +ATOM 1180 C CD PRO 108 . . B 2 20.659 13.902 5.311 1 35.99 ? CD PRO 111 H 1 +ATOM 1181 N N VAL 109 . . B 2 16.446 12.501 6.82 1 34.4 ? N VAL 112 H 1 +ATOM 1182 C CA VAL 109 . . B 2 15.079 12.225 6.46 1 32.82 ? CA VAL 112 H 1 +ATOM 1183 C C VAL 109 . . B 2 14.262 13.483 6.807 1 32.91 ? C VAL 112 H 1 +ATOM 1184 O O VAL 109 . . B 2 14.517 14.143 7.854 1 34.16 ? O VAL 112 H 1 +ATOM 1185 C CB VAL 109 . . B 2 14.455 11.138 7.394 1 35.22 ? CB VAL 112 H 1 +ATOM 1186 C CG1 VAL 109 . . B 2 13.589 10.129 6.685 1 31.26 ? CG1 VAL 112 H 1 +ATOM 1187 C CG2 VAL 109 . . B 2 15.483 10.514 8.32 1 32.49 ? CG2 VAL 112 H 1 +ATOM 1188 N N ALA 110 . . B 2 13.114 13.493 6.129 1 31.13 ? N ALA 113 H 1 +ATOM 1189 C CA ALA 110 . . B 2 12.178 14.606 6.332 1 27.34 ? CA ALA 113 H 1 +ATOM 1190 C C ALA 110 . . B 2 11.034 13.966 7.131 1 25.69 ? C ALA 113 H 1 +ATOM 1191 O O ALA 110 . . B 2 10.59 12.898 6.691 1 23.39 ? O ALA 113 H 1 +ATOM 1192 C CB ALA 110 . . B 2 11.755 15.071 4.944 1 29.65 ? CB ALA 113 H 1 +ATOM 1193 N N PHE 111 . . B 2 10.592 14.754 8.067 1 23.94 ? N PHE 114 H 1 +ATOM 1194 C CA PHE 111 . . B 2 9.596 14.333 9.039 1 25.31 ? CA PHE 114 H 1 +ATOM 1195 C C PHE 111 . . B 2 8.224 14.493 8.378 1 26.74 ? C PHE 114 H 1 +ATOM 1196 O O PHE 111 . . B 2 8.207 15.221 7.344 1 28.61 ? O PHE 114 H 1 +ATOM 1197 C CB PHE 111 . . B 2 9.752 14.95 10.412 1 25.83 ? CB PHE 114 H 1 +ATOM 1198 C CG PHE 111 . . B 2 11.166 14.721 10.944 1 26.27 ? CG PHE 114 H 1 +ATOM 1199 C CD1 PHE 111 . . B 2 11.91 13.64 10.46 1 28.05 ? CD1 PHE 114 H 1 +ATOM 1200 C CD2 PHE 111 . . B 2 11.72 15.582 11.895 1 26.62 ? CD2 PHE 114 H 1 +ATOM 1201 C CE1 PHE 111 . . B 2 13.213 13.427 10.913 1 27.51 ? CE1 PHE 114 H 1 +ATOM 1202 C CE2 PHE 111 . . B 2 13.026 15.371 12.349 1 25.13 ? CE2 PHE 114 H 1 +ATOM 1203 C CZ PHE 111 . . B 2 13.774 14.294 11.856 1 26.49 ? CZ PHE 114 H 1 +ATOM 1204 N N SER 112 . . B 2 7.18 13.92 9.001 1 24.2 ? N SER 115 H 1 +ATOM 1205 C CA SER 112 . . B 2 5.935 13.96 8.212 1 23.66 ? CA SER 115 H 1 +ATOM 1206 C C SER 112 . . B 2 4.913 13.564 9.238 1 23.62 ? C SER 115 H 1 +ATOM 1207 O O SER 112 . . B 2 5.392 13.388 10.354 1 24.58 ? O SER 115 H 1 +ATOM 1208 C CB SER 112 . . B 2 5.968 12.885 7.138 1 24.11 ? CB SER 115 H 1 +ATOM 1209 O OG SER 112 . . B 2 5.081 11.872 7.631 1 26.89 ? OG SER 115 H 1 +ATOM 1210 N N ASP 113 . . B 2 3.703 13.262 8.845 1 25.03 ? N ASP 116 H 1 +ATOM 1211 C CA ASP 113 . . B 2 2.723 12.899 9.921 1 24.39 ? CA ASP 116 H 1 +ATOM 1212 C C ASP 113 . . B 2 2.954 11.443 10.42 1 22.21 ? C ASP 116 H 1 +ATOM 1213 O O ASP 113 . . B 2 2.432 11.103 11.517 1 19.88 ? O ASP 116 H 1 +ATOM 1214 C CB ASP 113 . . B 2 1.328 13.088 9.392 1 30.44 ? CB ASP 116 H 1 +ATOM 1215 C CG ASP 113 . . B 2 0.645 14.426 9.242 1 31.99 ? CG ASP 116 H 1 +ATOM 1216 O OD1 ASP 113 . . B 2 1.162 15.463 9.674 1 32.68 ? OD1 ASP 116 H 1 +ATOM 1217 O OD2 ASP 113 . . B 2 -0.473 14.385 8.674 1 35.01 ? OD2 ASP 116 H 1 +ATOM 1218 N N TYR 114 . . B 2 3.786 10.81 9.613 1 20.1 ? N TYR 117 H 1 +ATOM 1219 C CA TYR 114 . . B 2 4.068 9.387 9.826 1 20.8 ? CA TYR 117 H 1 +ATOM 1220 C C TYR 114 . . B 2 5.454 9.111 10.374 1 21.48 ? C TYR 117 H 1 +ATOM 1221 O O TYR 114 . . B 2 5.665 7.936 10.751 1 22.36 ? O TYR 117 H 1 +ATOM 1222 C CB TYR 114 . . B 2 3.88 8.674 8.455 1 19.45 ? CB TYR 117 H 1 +ATOM 1223 C CG TYR 114 . . B 2 2.488 8.98 7.894 1 20.07 ? CG TYR 117 H 1 +ATOM 1224 C CD1 TYR 114 . . B 2 1.345 8.576 8.541 1 17.64 ? CD1 TYR 117 H 1 +ATOM 1225 C CD2 TYR 114 . . B 2 2.373 9.943 6.879 1 19.76 ? CD2 TYR 117 H 1 +ATOM 1226 C CE1 TYR 114 . . B 2 0.123 8.94 7.998 1 22.32 ? CE1 TYR 117 H 1 +ATOM 1227 C CE2 TYR 114 . . B 2 1.145 10.371 6.339 1 21.32 ? CE2 TYR 117 H 1 +ATOM 1228 C CZ TYR 114 . . B 2 0.014 9.874 6.948 1 21.66 ? CZ TYR 117 H 1 +ATOM 1229 O OH TYR 114 . . B 2 -1.259 10.177 6.529 1 26.4 ? OH TYR 117 H 1 +ATOM 1230 N N ILE 115 . . B 2 6.371 10.029 10.228 1 21 ? N ILE 118 H 1 +ATOM 1231 C CA ILE 115 . . B 2 7.769 10.091 10.547 1 20.69 ? CA ILE 118 H 1 +ATOM 1232 C C ILE 115 . . B 2 8.18 11.263 11.458 1 22.07 ? C ILE 118 H 1 +ATOM 1233 O O ILE 115 . . B 2 8.05 12.464 11.115 1 20.94 ? O ILE 118 H 1 +ATOM 1234 C CB ILE 115 . . B 2 8.611 10.18 9.203 1 19.29 ? CB ILE 118 H 1 +ATOM 1235 C CG1 ILE 115 . . B 2 8.045 9.158 8.16 1 15.27 ? CG1 ILE 118 H 1 +ATOM 1236 C CG2 ILE 115 . . B 2 10.116 10.026 9.453 1 15.3 ? CG2 ILE 118 H 1 +ATOM 1237 C CD1 ILE 115 . . B 2 9.004 9.28 6.919 1 17.1 ? CD1 ILE 118 H 1 +ATOM 1238 N N HIS 116 . . B 2 8.479 10.862 12.69 1 21.26 ? N HIS 119 H 1 +ATOM 1239 C CA HIS 116 . . B 2 8.817 11.806 13.773 1 21.92 ? CA HIS 119 H 1 +ATOM 1240 C C HIS 116 . . B 2 9.81 11.164 14.73 1 21.75 ? C HIS 119 H 1 +ATOM 1241 O O HIS 116 . . B 2 9.534 10.009 15.09 1 21.26 ? O HIS 119 H 1 +ATOM 1242 C CB HIS 116 . . B 2 7.497 12.308 14.435 1 23.2 ? CB HIS 119 H 1 +ATOM 1243 C CG HIS 116 . . B 2 7.784 13.553 15.245 1 25.12 ? CG HIS 119 H 1 +ATOM 1244 N ND1 HIS 116 . . B 2 8.208 14.751 14.643 1 27.27 ? ND1 HIS 119 H 1 +ATOM 1245 C CD2 HIS 116 . . B 2 7.858 13.754 16.573 1 23.78 ? CD2 HIS 119 H 1 +ATOM 1246 C CE1 HIS 116 . . B 2 8.58 15.593 15.603 1 26.45 ? CE1 HIS 119 H 1 +ATOM 1247 N NE2 HIS 116 . . B 2 8.353 15.008 16.78 1 25.2 ? NE2 HIS 119 H 1 +ATOM 1248 N N PRO 117 . . B 2 10.883 11.784 15.217 1 21.13 ? N PRO 120 H 1 +ATOM 1249 C CA PRO 117 . . B 2 11.821 11.133 16.167 1 19.41 ? CA PRO 120 H 1 +ATOM 1250 C C PRO 117 . . B 2 11.336 10.98 17.586 1 18.9 ? C PRO 120 H 1 +ATOM 1251 O O PRO 117 . . B 2 10.425 11.659 18.095 1 18.72 ? O PRO 120 H 1 +ATOM 1252 C CB PRO 117 . . B 2 13.033 12.035 16.156 1 20.1 ? CB PRO 120 H 1 +ATOM 1253 C CG PRO 117 . . B 2 12.689 13.257 15.311 1 19.53 ? CG PRO 120 H 1 +ATOM 1254 C CD PRO 117 . . B 2 11.265 13.147 14.84 1 20.33 ? CD PRO 120 H 1 +ATOM 1255 N N VAL 118 . . B 2 11.9 9.999 18.335 1 17.99 ? N VAL 121 H 1 +ATOM 1256 C CA VAL 118 . . B 2 11.56 9.775 19.767 1 16.83 ? CA VAL 121 H 1 +ATOM 1257 C C VAL 118 . . B 2 12.637 10.511 20.595 1 16.53 ? C VAL 121 H 1 +ATOM 1258 O O VAL 118 . . B 2 13.745 10.808 20.107 1 17.51 ? O VAL 121 H 1 +ATOM 1259 C CB VAL 118 . . B 2 11.429 8.28 20.241 1 15.08 ? CB VAL 121 H 1 +ATOM 1260 C CG1 VAL 118 . . B 2 12.768 7.633 20.498 1 10.94 ? CG1 VAL 121 H 1 +ATOM 1261 C CG2 VAL 118 . . B 2 10.611 8.085 21.475 1 10 ? CG2 VAL 121 H 1 +ATOM 1262 N N CYS 119 . . B 2 12.312 10.813 21.83 1 16.81 ? N CYS 122 H 1 +ATOM 1263 C CA CYS 119 . . B 2 13.325 11.531 22.665 1 17.81 ? CA CYS 122 H 1 +ATOM 1264 C C CYS 119 . . B 2 14.191 10.544 23.42 1 17.73 ? C CYS 122 H 1 +ATOM 1265 O O CYS 119 . . B 2 13.551 9.601 23.891 1 16.55 ? O CYS 122 H 1 +ATOM 1266 C CB CYS 119 . . B 2 12.604 12.338 23.756 1 16.81 ? CB CYS 122 H 1 +ATOM 1267 S SG CYS 119 . . B 2 11.611 13.761 23.236 1 17.29 ? SG CYS 122 H 1 +ATOM 1268 N N LEU 120 . . B 2 15.435 10.805 23.681 1 18.66 ? N LEU 123 H 1 +ATOM 1269 C CA LEU 120 . . B 2 16.309 9.973 24.539 1 20.11 ? CA LEU 123 H 1 +ATOM 1270 C C LEU 120 . . B 2 16.186 10.612 25.949 1 21.93 ? C LEU 123 H 1 +ATOM 1271 O O LEU 120 . . B 2 16.075 11.829 26.039 1 20.93 ? O LEU 123 H 1 +ATOM 1272 C CB LEU 120 . . B 2 17.712 9.906 23.977 1 17.69 ? CB LEU 123 H 1 +ATOM 1273 C CG LEU 120 . . B 2 18.247 9.404 22.679 1 14.08 ? CG LEU 123 H 1 +ATOM 1274 C CD1 LEU 120 . . B 2 19.754 9.58 22.49 1 10 ? CD1 LEU 123 H 1 +ATOM 1275 C CD2 LEU 120 . . B 2 17.777 7.939 22.672 1 15.16 ? CD2 LEU 123 H 1 +ATOM 1276 N N PRO 121 . . B 2 16.132 9.777 27.018 1 23.87 ? N PRO 124 H 1 +ATOM 1277 C CA PRO 121 . . B 2 15.901 10.237 28.372 1 24.07 ? CA PRO 124 H 1 +ATOM 1278 C C PRO 121 . . B 2 17.079 10.974 28.99 1 25.1 ? C PRO 124 H 1 +ATOM 1279 O O PRO 121 . . B 2 18.209 10.739 28.561 1 23.95 ? O PRO 124 H 1 +ATOM 1280 C CB PRO 121 . . B 2 15.73 8.954 29.18 1 23.79 ? CB PRO 124 H 1 +ATOM 1281 C CG PRO 121 . . B 2 15.947 7.787 28.225 1 21.69 ? CG PRO 124 H 1 +ATOM 1282 C CD PRO 121 . . B 2 16.278 8.327 26.86 1 23.12 ? CD PRO 124 H 1 +ATOM 1283 N N ASP 122 . . B 2 16.767 11.847 29.921 1 27.15 ? N ASP 125 H 1 +ATOM 1284 C CA ASP 122 . . B 2 17.803 12.53 30.741 1 28.68 ? CA ASP 125 H 1 +ATOM 1285 C C ASP 122 . . B 2 17.858 11.912 32.147 1 30.21 ? C ASP 125 H 1 +ATOM 1286 O O ASP 122 . . B 2 16.798 11.54 32.745 1 31.72 ? O ASP 125 H 1 +ATOM 1287 C CB ASP 122 . . B 2 17.383 13.992 30.707 1 30.67 ? CB ASP 125 H 1 +ATOM 1288 C CG ASP 122 . . B 2 15.954 14.055 31.239 1 33.22 ? CG ASP 125 H 1 +ATOM 1289 O OD1 ASP 122 . . B 2 15.844 14.119 32.49 1 37.88 ? OD1 ASP 125 H 1 +ATOM 1290 O OD2 ASP 122 . . B 2 14.94 14.048 30.535 1 33.48 ? OD2 ASP 125 H 1 +ATOM 1291 N N ARG 123 . . B 2 18.97 11.863 32.854 1 30.44 ? N ARG 126 H 1 +ATOM 1292 C CA ARG 123 . . B 2 19.018 11.244 34.169 1 31.21 ? CA ARG 126 H 1 +ATOM 1293 C C ARG 123 . . B 2 17.739 11.441 34.955 1 32.33 ? C ARG 126 H 1 +ATOM 1294 O O ARG 123 . . B 2 17.42 10.438 35.631 1 31.92 ? O ARG 126 H 1 +ATOM 1295 C CB ARG 123 . . B 2 20.184 11.619 35.079 1 36.51 ? CB ARG 126 H 1 +ATOM 1296 C CG ARG 123 . . B 2 20.274 10.932 36.46 1 41.74 ? CG ARG 126 H 1 +ATOM 1297 C CD ARG 123 . . B 2 21.304 11.595 37.309 1 47.69 ? CD ARG 126 H 1 +ATOM 1298 N NE ARG 123 . . B 2 21.809 11.056 38.572 1 50 ? NE ARG 126 H 1 +ATOM 1299 C CZ ARG 123 . . B 2 21.56 11.469 39.833 1 50 ? CZ ARG 126 H 1 +ATOM 1300 N NH1 ARG 123 . . B 2 20.593 12.38 40.044 1 50 ? NH1 ARG 126 H 1 +ATOM 1301 N NH2 ARG 123 . . B 2 22.125 11.052 40.968 1 50 ? NH2 ARG 126 H 1 +ATOM 1302 N N GLU 124 . . B 2 17.004 12.528 34.866 1 32.87 ? N GLU 127 H 1 +ATOM 1303 C CA GLU 124 . . B 2 15.838 12.738 35.737 1 32.72 ? CA GLU 127 H 1 +ATOM 1304 C C GLU 124 . . B 2 14.585 12.094 35.253 1 32.66 ? C GLU 127 H 1 +ATOM 1305 O O GLU 124 . . B 2 13.67 11.635 35.998 1 33.39 ? O GLU 127 H 1 +ATOM 1306 C CB GLU 124 . . B 2 15.555 14.203 36.069 1 37.47 ? CB GLU 127 H 1 +ATOM 1307 C CG GLU 124 . . B 2 16.115 15.344 35.214 1 40.95 ? CG GLU 127 H 1 +ATOM 1308 C CD GLU 124 . . B 2 17.624 15.391 35.052 1 43.21 ? CD GLU 127 H 1 +ATOM 1309 O OE1 GLU 124 . . B 2 18.394 14.979 35.954 1 44.66 ? OE1 GLU 127 H 1 +ATOM 1310 O OE2 GLU 124 . . B 2 17.974 15.915 33.941 1 43.3 ? OE2 GLU 127 H 1 +ATOM 1311 N N THR 125 . . B 2 14.487 12.13 33.942 1 32.36 ? N THR 128 H 1 +ATOM 1312 C CA THR 125 . . B 2 13.29 11.455 33.333 1 31.98 ? CA THR 128 H 1 +ATOM 1313 C C THR 125 . . B 2 13.378 9.935 33.572 1 30.5 ? C THR 128 H 1 +ATOM 1314 O O THR 125 . . B 2 12.452 9.346 34.067 1 29.95 ? O THR 128 H 1 +ATOM 1315 C CB THR 125 . . B 2 13.11 11.791 31.803 1 32.15 ? CB THR 128 H 1 +ATOM 1316 O OG1 THR 125 . . B 2 12.899 13.259 31.775 1 28.36 ? OG1 THR 128 H 1 +ATOM 1317 C CG2 THR 125 . . B 2 12.013 10.931 31.199 1 27.3 ? CG2 THR 128 H 1 +ATOM 1318 N N ALA 126 . . B 2 14.514 9.37 33.349 1 30.42 ? N ALA 129 H 1 +ATOM 1319 C CA ALA 126 . . B 2 14.976 7.99 33.457 1 30.85 ? CA ALA 129 H 1 +ATOM 1320 C C ALA 126 . . B 2 14.735 7.541 34.894 1 30.8 ? C ALA 129 H 1 +ATOM 1321 O O ALA 126 . . B 2 13.956 6.657 35.321 1 31.08 ? O ALA 129 H 1 +ATOM 1322 C CB ALA 126 . . B 2 16.435 7.927 32.946 1 28.99 ? CB ALA 129 H 1 +ATOM 1323 N N ALA 127 . A B 2 15.156 8.45 35.767 1 31.4 ? N ALA 129 H 1 +ATOM 1324 C CA ALA 127 . A B 2 15.045 8.276 37.207 1 30.08 ? CA ALA 129 H 1 +ATOM 1325 C C ALA 127 . A B 2 13.612 8.312 37.631 1 30.85 ? C ALA 129 H 1 +ATOM 1326 O O ALA 127 . A B 2 13.27 7.319 38.322 1 32.5 ? O ALA 129 H 1 +ATOM 1327 C CB ALA 127 . A B 2 15.972 9.247 37.896 1 32.86 ? CB ALA 129 H 1 +ATOM 1328 N N SER 128 . B B 2 12.71 9.16 37.189 1 31.57 ? N SER 129 H 1 +ATOM 1329 C CA SER 128 . B B 2 11.326 9.046 37.736 1 31.36 ? CA SER 129 H 1 +ATOM 1330 C C SER 128 . B B 2 10.39 8.083 37.003 1 30.08 ? C SER 129 H 1 +ATOM 1331 O O SER 128 . B B 2 9.341 7.692 37.581 1 29.54 ? O SER 129 H 1 +ATOM 1332 C CB SER 128 . B B 2 10.717 10.436 37.945 1 37.27 ? CB SER 129 H 1 +ATOM 1333 O OG SER 128 . B B 2 10.027 10.929 36.795 1 40.34 ? OG SER 129 H 1 +ATOM 1334 N N LEU 129 . C B 2 10.818 7.52 35.891 1 27.86 ? N LEU 129 H 1 +ATOM 1335 C CA LEU 129 . C B 2 9.893 6.692 35.114 1 27.99 ? CA LEU 129 H 1 +ATOM 1336 C C LEU 129 . C B 2 10.241 5.206 35.242 1 27.33 ? C LEU 129 H 1 +ATOM 1337 O O LEU 129 . C B 2 9.297 4.411 35.327 1 25.64 ? O LEU 129 H 1 +ATOM 1338 C CB LEU 129 . C B 2 9.829 7.197 33.655 1 25.82 ? CB LEU 129 H 1 +ATOM 1339 C CG LEU 129 . C B 2 8.922 8.429 33.439 1 25.66 ? CG LEU 129 H 1 +ATOM 1340 C CD1 LEU 129 . C B 2 8.878 8.693 31.953 1 25.93 ? CD1 LEU 129 H 1 +ATOM 1341 C CD2 LEU 129 . C B 2 7.513 8.267 34.007 1 21.27 ? CD2 LEU 129 H 1 +ATOM 1342 N N LEU 130 . . B 2 11.549 4.994 35.216 1 28.06 ? N LEU 130 H 1 +ATOM 1343 C CA LEU 130 . . B 2 12.013 3.57 35.263 1 28.43 ? CA LEU 130 H 1 +ATOM 1344 C C LEU 130 . . B 2 11.806 2.976 36.653 1 28.77 ? C LEU 130 H 1 +ATOM 1345 O O LEU 130 . . B 2 12.754 2.85 37.454 1 30.23 ? O LEU 130 H 1 +ATOM 1346 C CB LEU 130 . . B 2 13.433 3.565 34.781 1 27.85 ? CB LEU 130 H 1 +ATOM 1347 C CG LEU 130 . . B 2 13.882 3.392 33.359 1 28.68 ? CG LEU 130 H 1 +ATOM 1348 C CD1 LEU 130 . . B 2 15.356 3.003 33.371 1 29.89 ? CD1 LEU 130 H 1 +ATOM 1349 C CD2 LEU 130 . . B 2 13.056 2.286 32.685 1 27.44 ? CD2 LEU 130 H 1 +ATOM 1350 N N GLN 131 . . B 2 10.594 2.701 36.983 1 28.09 ? N GLN 131 H 1 +ATOM 1351 C CA GLN 131 . . B 2 10.131 2.195 38.257 1 29.7 ? CA GLN 131 H 1 +ATOM 1352 C C GLN 131 . . B 2 9.117 1.044 38.003 1 29.79 ? C GLN 131 H 1 +ATOM 1353 O O GLN 131 . . B 2 8.335 0.963 37.045 1 29.44 ? O GLN 131 H 1 +ATOM 1354 C CB GLN 131 . . B 2 9.523 3.319 39.05 1 32.42 ? CB GLN 131 H 1 +ATOM 1355 C CG GLN 131 . . B 2 10.34 4.493 39.509 1 36.6 ? CG GLN 131 H 1 +ATOM 1356 C CD GLN 131 . . B 2 9.473 5.172 40.569 1 43.49 ? CD GLN 131 H 1 +ATOM 1357 O OE1 GLN 131 . . B 2 9.762 6.276 41.069 1 47.81 ? OE1 GLN 131 H 1 +ATOM 1358 N NE2 GLN 131 . . B 2 8.381 4.494 41.003 1 44.6 ? NE2 GLN 131 H 1 +ATOM 1359 N N ALA 132 . . B 2 9.282 0.026 38.851 1 29.76 ? N ALA 132 H 1 +ATOM 1360 C CA ALA 132 . . B 2 8.558 -1.233 38.721 1 28.5 ? CA ALA 132 H 1 +ATOM 1361 C C ALA 132 . . B 2 7.092 -0.809 38.864 1 28.9 ? C ALA 132 H 1 +ATOM 1362 O O ALA 132 . . B 2 6.864 -0.13 39.892 1 27.43 ? O ALA 132 H 1 +ATOM 1363 C CB ALA 132 . . B 2 8.908 -2.211 39.83 1 30.2 ? CB ALA 132 H 1 +ATOM 1364 N N GLY 133 . . B 2 6.346 -1.466 37.983 1 27.83 ? N GLY 133 H 1 +ATOM 1365 C CA GLY 133 . . B 2 4.901 -1.152 38.037 1 28.39 ? CA GLY 133 H 1 +ATOM 1366 C C GLY 133 . . B 2 4.525 -0.216 36.876 1 27.5 ? C GLY 133 H 1 +ATOM 1367 O O GLY 133 . . B 2 3.406 -0.323 36.351 1 28.22 ? O GLY 133 H 1 +ATOM 1368 N N TYR 134 . . B 2 5.505 0.656 36.631 1 26.73 ? N TYR 134 H 1 +ATOM 1369 C CA TYR 134 . . B 2 5.283 1.587 35.513 1 25.81 ? CA TYR 134 H 1 +ATOM 1370 C C TYR 134 . . B 2 5.19 0.79 34.218 1 23.87 ? C TYR 134 H 1 +ATOM 1371 O O TYR 134 . . B 2 6.214 0.202 33.849 1 25.27 ? O TYR 134 H 1 +ATOM 1372 C CB TYR 134 . . B 2 6.367 2.696 35.48 1 23.66 ? CB TYR 134 H 1 +ATOM 1373 C CG TYR 134 . . B 2 6.183 3.783 36.543 1 25.33 ? CG TYR 134 H 1 +ATOM 1374 C CD1 TYR 134 . . B 2 5.475 3.513 37.723 1 24.44 ? CD1 TYR 134 H 1 +ATOM 1375 C CD2 TYR 134 . . B 2 6.73 5.055 36.334 1 25.9 ? CD2 TYR 134 H 1 +ATOM 1376 C CE1 TYR 134 . . B 2 5.327 4.512 38.697 1 25.53 ? CE1 TYR 134 H 1 +ATOM 1377 C CE2 TYR 134 . . B 2 6.584 6.052 37.307 1 28.86 ? CE2 TYR 134 H 1 +ATOM 1378 C CZ TYR 134 . . B 2 5.885 5.78 38.488 1 29.77 ? CZ TYR 134 H 1 +ATOM 1379 O OH TYR 134 . . B 2 5.755 6.751 39.434 1 32.92 ? OH TYR 134 H 1 +ATOM 1380 N N LYS 135 . . B 2 4.295 1.186 33.336 1 23.53 ? N LYS 135 H 1 +ATOM 1381 C CA LYS 135 . . B 2 4.129 0.638 31.989 1 21.76 ? CA LYS 135 H 1 +ATOM 1382 C C LYS 135 . . B 2 4.757 1.484 30.883 1 20.59 ? C LYS 135 H 1 +ATOM 1383 O O LYS 135 . . B 2 4.735 2.694 30.929 1 19.47 ? O LYS 135 H 1 +ATOM 1384 C CB LYS 135 . . B 2 2.635 0.6 31.636 1 23.11 ? CB LYS 135 H 1 +ATOM 1385 C CG LYS 135 . . B 2 1.95 -0.471 32.467 1 23.76 ? CG LYS 135 H 1 +ATOM 1386 C CD LYS 135 . . B 2 0.528 -0.708 32.015 1 22.48 ? CD LYS 135 H 1 +ATOM 1387 C CE LYS 135 . . B 2 -0.053 -1.616 33.089 1 21.84 ? CE LYS 135 H 1 +ATOM 1388 N NZ LYS 135 . . B 2 -1.533 -1.673 33.033 1 28.28 ? NZ LYS 135 H 1 +ATOM 1389 N N GLY 136 . . B 2 5.32 0.81 29.91 1 18.99 ? N GLY 136 H 1 +ATOM 1390 C CA GLY 136 . . B 2 6.018 1.184 28.703 1 17.06 ? CA GLY 136 H 1 +ATOM 1391 C C GLY 136 . . B 2 5.209 0.534 27.548 1 15.86 ? C GLY 136 H 1 +ATOM 1392 O O GLY 136 . . B 2 4.347 -0.284 27.85 1 14.79 ? O GLY 136 H 1 +ATOM 1393 N N ARG 137 . . B 2 5.677 0.72 26.327 1 14.57 ? N ARG 137 H 1 +ATOM 1394 C CA ARG 137 . . B 2 4.886 0.286 25.203 1 14.44 ? CA ARG 137 H 1 +ATOM 1395 C C ARG 137 . . B 2 5.877 -0.354 24.26 1 14.8 ? C ARG 137 H 1 +ATOM 1396 O O ARG 137 . . B 2 6.826 0.424 24.174 1 12.06 ? O ARG 137 H 1 +ATOM 1397 C CB ARG 137 . . B 2 4.21 1.47 24.472 1 16.8 ? CB ARG 137 H 1 +ATOM 1398 C CG ARG 137 . . B 2 3.538 1.329 23.132 1 17.02 ? CG ARG 137 H 1 +ATOM 1399 C CD ARG 137 . . B 2 2.657 2.425 22.604 1 17.33 ? CD ARG 137 H 1 +ATOM 1400 N NE ARG 137 . . B 2 1.383 2.509 23.343 1 17.13 ? NE ARG 137 H 1 +ATOM 1401 C CZ ARG 137 . . B 2 0.67 3.651 23.263 1 22.72 ? CZ ARG 137 H 1 +ATOM 1402 N NH1 ARG 137 . . B 2 1.216 4.619 22.449 1 22.47 ? NH1 ARG 137 H 1 +ATOM 1403 N NH2 ARG 137 . . B 2 -0.442 3.902 23.955 1 19.87 ? NH2 ARG 137 H 1 +ATOM 1404 N N VAL 138 . . B 2 5.543 -1.501 23.653 1 15.12 ? N VAL 138 H 1 +ATOM 1405 C CA VAL 138 . . B 2 6.507 -2.079 22.693 1 15.44 ? CA VAL 138 H 1 +ATOM 1406 C C VAL 138 . . B 2 5.675 -2.158 21.399 1 16.06 ? C VAL 138 H 1 +ATOM 1407 O O VAL 138 . . B 2 4.486 -2.455 21.354 1 16.16 ? O VAL 138 H 1 +ATOM 1408 C CB VAL 138 . . B 2 7.06 -3.506 22.997 1 18.26 ? CB VAL 138 H 1 +ATOM 1409 C CG1 VAL 138 . . B 2 8.434 -3.892 22.514 1 11.9 ? CG1 VAL 138 H 1 +ATOM 1410 C CG2 VAL 138 . . B 2 6.935 -3.947 24.447 1 18.91 ? CG2 VAL 138 H 1 +ATOM 1411 N N THR 139 . . B 2 6.453 -2.134 20.328 1 17.64 ? N THR 139 H 1 +ATOM 1412 C CA THR 139 . . B 2 5.928 -2.28 19.019 1 17.91 ? CA THR 139 H 1 +ATOM 1413 C C THR 139 . . B 2 6.93 -2.964 18.103 1 18.12 ? C THR 139 H 1 +ATOM 1414 O O THR 139 . . B 2 8.137 -2.906 18.278 1 16.73 ? O THR 139 H 1 +ATOM 1415 C CB THR 139 . . B 2 5.476 -0.879 18.394 1 22.29 ? CB THR 139 H 1 +ATOM 1416 O OG1 THR 139 . . B 2 6.791 -0.296 18.142 1 25.07 ? OG1 THR 139 H 1 +ATOM 1417 C CG2 THR 139 . . B 2 4.543 -0.097 19.33 1 19.17 ? CG2 THR 139 H 1 +ATOM 1418 N N GLY 140 . . B 2 6.239 -3.528 17.182 1 16.97 ? N GLY 140 H 1 +ATOM 1419 C CA GLY 140 . . B 2 6.922 -4.344 16.179 1 18.24 ? CA GLY 140 H 1 +ATOM 1420 C C GLY 140 . . B 2 5.917 -5.171 15.377 1 18.61 ? C GLY 140 H 1 +ATOM 1421 O O GLY 140 . . B 2 4.751 -5.321 15.806 1 19.25 ? O GLY 140 H 1 +ATOM 1422 N N TRP 141 . . B 2 6.475 -5.642 14.264 1 20.07 ? N TRP 141 H 1 +ATOM 1423 C CA TRP 141 . . B 2 5.812 -6.471 13.245 1 22.91 ? CA TRP 141 H 1 +ATOM 1424 C C TRP 141 . . B 2 6.213 -7.949 13.398 1 24.12 ? C TRP 141 H 1 +ATOM 1425 O O TRP 141 . . B 2 6.503 -8.639 12.395 1 23.66 ? O TRP 141 H 1 +ATOM 1426 C CB TRP 141 . . B 2 6.253 -6.021 11.848 1 24.98 ? CB TRP 141 H 1 +ATOM 1427 C CG TRP 141 . . B 2 5.757 -4.63 11.418 1 26.81 ? CG TRP 141 H 1 +ATOM 1428 C CD1 TRP 141 . . B 2 4.508 -4.289 11.08 1 26.95 ? CD1 TRP 141 H 1 +ATOM 1429 C CD2 TRP 141 . . B 2 6.57 -3.462 11.308 1 26.17 ? CD2 TRP 141 H 1 +ATOM 1430 N NE1 TRP 141 . . B 2 4.53 -2.903 10.717 1 22.81 ? NE1 TRP 141 H 1 +ATOM 1431 C CE2 TRP 141 . . B 2 5.75 -2.442 10.844 1 26.72 ? CE2 TRP 141 H 1 +ATOM 1432 C CE3 TRP 141 . . B 2 7.926 -3.19 11.543 1 24.78 ? CE3 TRP 141 H 1 +ATOM 1433 C CZ2 TRP 141 . . B 2 6.213 -1.149 10.561 1 26.16 ? CZ2 TRP 141 H 1 +ATOM 1434 C CZ3 TRP 141 . . B 2 8.382 -1.879 11.273 1 28.55 ? CZ3 TRP 141 H 1 +ATOM 1435 C CH2 TRP 141 . . B 2 7.565 -0.91 10.801 1 27.51 ? CH2 TRP 141 H 1 +ATOM 1436 N N GLY 142 . . B 2 6.848 -8.43 14.46 1 24.95 ? N GLY 142 H 1 +ATOM 1437 C CA GLY 142 . . B 2 7.337 -9.784 14.748 1 25.58 ? CA GLY 142 H 1 +ATOM 1438 C C GLY 142 . . B 2 6.174 -10.773 14.954 1 27.84 ? C GLY 142 H 1 +ATOM 1439 O O GLY 142 . . B 2 4.937 -10.62 14.88 1 25.02 ? O GLY 142 H 1 +ATOM 1440 N N ASN 143 . . B 2 6.688 -11.925 15.422 1 29.32 ? N ASN 143 H 1 +ATOM 1441 C CA ASN 143 . . B 2 5.874 -13.126 15.656 1 28.97 ? CA ASN 143 H 1 +ATOM 1442 C C ASN 143 . . B 2 4.688 -12.793 16.546 1 27.12 ? C ASN 143 H 1 +ATOM 1443 O O ASN 143 . . B 2 5.105 -12.217 17.522 1 26.68 ? O ASN 143 H 1 +ATOM 1444 C CB ASN 143 . . B 2 6.672 -14.253 16.292 1 30.27 ? CB ASN 143 H 1 +ATOM 1445 C CG ASN 143 . . B 2 7.671 -14.886 15.352 1 33.06 ? CG ASN 143 H 1 +ATOM 1446 O OD1 ASN 143 . . B 2 7.958 -14.546 14.197 1 30.13 ? OD1 ASN 143 H 1 +ATOM 1447 N ND2 ASN 143 . . B 2 8.221 -15.939 16.027 1 38.66 ? ND2 ASN 143 H 1 +ATOM 1448 N N LEU 144 . . B 2 3.57 -13.413 16.274 1 27.55 ? N LEU 144 H 1 +ATOM 1449 C CA LEU 144 . . B 2 2.345 -13.29 17.029 1 27.49 ? CA LEU 144 H 1 +ATOM 1450 C C LEU 144 . . B 2 2.314 -14.324 18.108 1 27.06 ? C LEU 144 H 1 +ATOM 1451 O O LEU 144 . . B 2 1.354 -14.145 18.857 1 27.55 ? O LEU 144 H 1 +ATOM 1452 C CB LEU 144 . . B 2 1.025 -13.358 16.247 1 29.97 ? CB LEU 144 H 1 +ATOM 1453 C CG LEU 144 . . B 2 0.854 -12.204 15.254 1 32.26 ? CG LEU 144 H 1 +ATOM 1454 C CD1 LEU 144 . . B 2 -0.102 -12.531 14.126 1 28.68 ? CD1 LEU 144 H 1 +ATOM 1455 C CD2 LEU 144 . . B 2 0.407 -10.982 16.091 1 31.85 ? CD2 LEU 144 H 1 +ATOM 1456 N N LYS 145 . . B 2 3.133 -15.34 17.998 1 28.98 ? N LYS 145 H 1 +ATOM 1457 C CA LYS 145 . . B 2 3.148 -16.354 19.112 1 31.41 ? CA LYS 145 H 1 +ATOM 1458 C C LYS 145 . . B 2 4.512 -17.056 19.046 1 31.34 ? C LYS 145 H 1 +ATOM 1459 O O LYS 145 . . B 2 5.208 -16.951 18.01 1 30.07 ? O LYS 145 H 1 +ATOM 1460 C CB LYS 145 . . B 2 2.028 -17.337 19.301 1 35.4 ? CB LYS 145 H 1 +ATOM 1461 C CG LYS 145 . . B 2 1.415 -17.95 18.03 1 42.15 ? CG LYS 145 H 1 +ATOM 1462 C CD LYS 145 . . B 2 0.403 -19.061 18.433 1 46.19 ? CD LYS 145 H 1 +ATOM 1463 C CE LYS 145 . . B 2 -0.831 -19.018 17.52 1 47.54 ? CE LYS 145 H 1 +ATOM 1464 N NZ LYS 145 . . B 2 -1.03 -17.57 17.13 1 50 ? NZ LYS 145 H 1 +ATOM 1465 N N GLU 146 . . B 2 4.841 -17.622 20.208 1 32.42 ? N GLU 146 H 1 +ATOM 1466 C CA GLU 146 . . B 2 6.209 -18.149 20.306 1 35.71 ? CA GLU 146 H 1 +ATOM 1467 C C GLU 146 . . B 2 6.7 -19.132 19.281 1 38.65 ? C GLU 146 H 1 +ATOM 1468 O O GLU 146 . . B 2 7.882 -19.425 19.03 1 39.98 ? O GLU 146 H 1 +ATOM 1469 C CB GLU 146 . . B 2 6.452 -18.861 21.641 1 36.51 ? CB GLU 146 H 1 +ATOM 1470 C CG GLU 146 . . B 2 7.888 -19.392 21.607 1 38.21 ? CG GLU 146 H 1 +ATOM 1471 C CD GLU 146 . . B 2 8.31 -19.881 22.967 1 39.67 ? CD GLU 146 H 1 +ATOM 1472 O OE1 GLU 146 . . B 2 7.47 -19.528 23.832 1 37.46 ? OE1 GLU 146 H 1 +ATOM 1473 O OE2 GLU 146 . . B 2 9.331 -20.555 22.948 1 41.72 ? OE2 GLU 146 H 1 +ATOM 1474 N N THR 147 . . B 2 5.735 -19.898 18.836 1 41.9 ? N THR 147 H 1 +ATOM 1475 C CA THR 147 . . B 2 5.713 -20.993 17.862 1 43.59 ? CA THR 147 H 1 +ATOM 1476 C C THR 147 . . B 2 4.195 -21.332 17.794 1 44.57 ? C THR 147 H 1 +ATOM 1477 O O THR 147 . . B 2 3.591 -21.235 18.934 1 46.31 ? O THR 147 H 1 +ATOM 1478 C CB THR 147 . . B 2 6.671 -22.204 18.207 1 43.66 ? CB THR 147 H 1 +ATOM 1479 O OG1 THR 147 . . B 2 6.84 -23.011 16.97 1 44.29 ? OG1 THR 147 H 1 +ATOM 1480 C CG2 THR 147 . . B 2 6.242 -23.139 19.345 1 43.36 ? CG2 THR 147 H 1 +ATOM 1481 N N GLY 155 . . B 2 0.942 -16.292 13.477 1 39.25 ? N GLY 150 H 1 +ATOM 1482 C CA GLY 155 . . B 2 1.815 -16.012 12.319 1 38.09 ? CA GLY 150 H 1 +ATOM 1483 C C GLY 155 . . B 2 2.401 -14.606 12.451 1 38.07 ? C GLY 150 H 1 +ATOM 1484 O O GLY 155 . . B 2 2.635 -14.122 13.567 1 37.78 ? O GLY 150 H 1 +ATOM 1485 N N GLN 156 . . B 2 2.633 -13.988 11.295 1 37.26 ? N GLN 151 H 1 +ATOM 1486 C CA GLN 156 . . B 2 3.154 -12.605 11.229 1 37.54 ? CA GLN 151 H 1 +ATOM 1487 C C GLN 156 . . B 2 1.962 -11.685 11.001 1 36.74 ? C GLN 151 H 1 +ATOM 1488 O O GLN 156 . . B 2 0.844 -12.166 10.725 1 37.57 ? O GLN 151 H 1 +ATOM 1489 C CB GLN 156 . . B 2 4.184 -12.419 10.069 1 40.07 ? CB GLN 151 H 1 +ATOM 1490 C CG GLN 156 . . B 2 5.652 -12.741 10.477 1 47.34 ? CG GLN 151 H 1 +ATOM 1491 C CD GLN 156 . . B 2 6.687 -11.61 10.178 1 48.98 ? CD GLN 151 H 1 +ATOM 1492 O OE1 GLN 156 . . B 2 6.954 -11.282 9.016 1 49.79 ? OE1 GLN 151 H 1 +ATOM 1493 N NE2 GLN 156 . . B 2 7.306 -10.987 11.17 1 48.44 ? NE2 GLN 151 H 1 +ATOM 1494 N N PRO 157 . . B 2 2.046 -10.476 11.451 1 34.98 ? N PRO 152 H 1 +ATOM 1495 C CA PRO 157 . . B 2 0.899 -9.545 11.501 1 31.59 ? CA PRO 152 H 1 +ATOM 1496 C C PRO 157 . . B 2 0.876 -8.866 10.14 1 28.03 ? C PRO 152 H 1 +ATOM 1497 O O PRO 157 . . B 2 1.919 -8.961 9.455 1 25.86 ? O PRO 152 H 1 +ATOM 1498 C CB PRO 157 . . B 2 1.212 -8.613 12.675 1 31.86 ? CB PRO 152 H 1 +ATOM 1499 C CG PRO 157 . . B 2 2.641 -8.92 13.097 1 33.03 ? CG PRO 152 H 1 +ATOM 1500 C CD PRO 157 . . B 2 3.225 -9.904 12.116 1 34.57 ? CD PRO 152 H 1 +ATOM 1501 N N SER 158 . . B 2 -0.267 -8.264 9.776 1 26.59 ? N SER 153 H 1 +ATOM 1502 C CA SER 158 . . B 2 -0.254 -7.496 8.506 1 26.01 ? CA SER 153 H 1 +ATOM 1503 C C SER 158 . . B 2 0.119 -6.041 8.862 1 25.6 ? C SER 153 H 1 +ATOM 1504 O O SER 158 . . B 2 0.808 -5.298 8.141 1 26.72 ? O SER 153 H 1 +ATOM 1505 C CB SER 158 . . B 2 -1.516 -7.543 7.673 1 25.5 ? CB SER 153 H 1 +ATOM 1506 O OG SER 158 . . B 2 -2.644 -7.322 8.488 1 27.21 ? OG SER 153 H 1 +ATOM 1507 N N VAL 159 . . B 2 -0.205 -5.65 10.049 1 25.39 ? N VAL 154 H 1 +ATOM 1508 C CA VAL 159 . . B 2 0.026 -4.306 10.625 1 25.07 ? CA VAL 154 H 1 +ATOM 1509 C C VAL 159 . . B 2 0.946 -4.335 11.849 1 23.31 ? C VAL 154 H 1 +ATOM 1510 O O VAL 159 . . B 2 1.01 -5.271 12.659 1 23.28 ? O VAL 154 H 1 +ATOM 1511 C CB VAL 159 . . B 2 -1.446 -3.859 10.881 1 24.83 ? CB VAL 154 H 1 +ATOM 1512 C CG1 VAL 159 . . B 2 -1.809 -3.314 12.242 1 25.01 ? CG1 VAL 154 H 1 +ATOM 1513 C CG2 VAL 159 . . B 2 -1.907 -2.873 9.834 1 25.79 ? CG2 VAL 154 H 1 +ATOM 1514 N N LEU 160 . . B 2 1.556 -3.17 12.102 1 23.01 ? N LEU 155 H 1 +ATOM 1515 C CA LEU 160 . . B 2 2.345 -2.935 13.328 1 19.99 ? CA LEU 155 H 1 +ATOM 1516 C C LEU 160 . . B 2 1.558 -3.299 14.539 1 16.65 ? C LEU 155 H 1 +ATOM 1517 O O LEU 160 . . B 2 0.4 -2.906 14.562 1 17.25 ? O LEU 155 H 1 +ATOM 1518 C CB LEU 160 . . B 2 2.772 -1.43 13.343 1 16.09 ? CB LEU 155 H 1 +ATOM 1519 C CG LEU 160 . . B 2 3.634 -1.197 14.601 1 17.12 ? CG LEU 155 H 1 +ATOM 1520 C CD1 LEU 160 . . B 2 4.951 -1.909 14.411 1 10 ? CD1 LEU 155 H 1 +ATOM 1521 C CD2 LEU 160 . . B 2 3.857 0.323 14.745 1 19.07 ? CD2 LEU 155 H 1 +ATOM 1522 N N GLN 161 . . B 2 2.04 -3.948 15.558 1 17.48 ? N GLN 156 H 1 +ATOM 1523 C CA GLN 161 . . B 2 1.28 -4.349 16.767 1 15.63 ? CA GLN 156 H 1 +ATOM 1524 C C GLN 161 . . B 2 1.848 -3.539 17.96 1 16.02 ? C GLN 156 H 1 +ATOM 1525 O O GLN 161 . . B 2 3.038 -3.22 17.873 1 12.89 ? O GLN 156 H 1 +ATOM 1526 C CB GLN 161 . . B 2 1.509 -5.821 17.172 1 18.96 ? CB GLN 156 H 1 +ATOM 1527 C CG GLN 161 . . B 2 1.085 -6.917 16.195 1 16.11 ? CG GLN 156 H 1 +ATOM 1528 C CD GLN 161 . . B 2 -0.432 -6.778 16.08 1 18.91 ? CD GLN 156 H 1 +ATOM 1529 O OE1 GLN 161 . . B 2 -0.743 -6.209 15.034 1 18.31 ? OE1 GLN 156 H 1 +ATOM 1530 N NE2 GLN 161 . . B 2 -1.154 -6.914 17.199 1 16.27 ? NE2 GLN 156 H 1 +ATOM 1531 N N VAL 162 . . B 2 1.053 -3.528 19.004 1 16.76 ? N VAL 157 H 1 +ATOM 1532 C CA VAL 162 . . B 2 1.539 -2.771 20.174 1 19.87 ? CA VAL 157 H 1 +ATOM 1533 C C VAL 162 . . B 2 1.103 -3.433 21.481 1 19.47 ? C VAL 157 H 1 +ATOM 1534 O O VAL 162 . . B 2 -0.057 -3.87 21.404 1 18.7 ? O VAL 157 H 1 +ATOM 1535 C CB VAL 162 . . B 2 0.88 -1.365 19.94 1 21.47 ? CB VAL 157 H 1 +ATOM 1536 C CG1 VAL 162 . . B 2 1.241 -1.026 18.483 1 27.47 ? CG1 VAL 157 H 1 +ATOM 1537 C CG2 VAL 162 . . B 2 -0.614 -1.232 20.078 1 22.27 ? CG2 VAL 157 H 1 +ATOM 1538 N N VAL 163 . . B 2 1.926 -3.339 22.534 1 18.48 ? N VAL 158 H 1 +ATOM 1539 C CA VAL 163 . . B 2 1.437 -3.898 23.813 1 18.54 ? CA VAL 158 H 1 +ATOM 1540 C C VAL 163 . . B 2 2.048 -3.004 24.908 1 19.68 ? C VAL 158 H 1 +ATOM 1541 O O VAL 163 . . B 2 3.071 -2.395 24.646 1 19.16 ? O VAL 158 H 1 +ATOM 1542 C CB VAL 163 . . B 2 1.769 -5.38 23.822 1 19.25 ? CB VAL 158 H 1 +ATOM 1543 C CG1 VAL 163 . . B 2 3.266 -5.551 23.692 1 16.98 ? CG1 VAL 158 H 1 +ATOM 1544 C CG2 VAL 163 . . B 2 1.204 -6.155 25.004 1 19.83 ? CG2 VAL 158 H 1 +ATOM 1545 N N ASN 164 . . B 2 1.399 -2.816 26.044 1 19.78 ? N ASN 159 H 1 +ATOM 1546 C CA ASN 164 . . B 2 1.912 -1.96 27.088 1 20.6 ? CA ASN 159 H 1 +ATOM 1547 C C ASN 164 . . B 2 2.354 -2.932 28.154 1 19.56 ? C ASN 159 H 1 +ATOM 1548 O O ASN 164 . . B 2 1.405 -3.607 28.585 1 21.64 ? O ASN 159 H 1 +ATOM 1549 C CB ASN 164 . . B 2 0.771 -1.038 27.593 1 23.02 ? CB ASN 159 H 1 +ATOM 1550 C CG ASN 164 . . B 2 0.279 -0.065 26.536 1 24.32 ? CG ASN 159 H 1 +ATOM 1551 O OD1 ASN 164 . . B 2 0.989 0.204 25.527 1 25.08 ? OD1 ASN 159 H 1 +ATOM 1552 N ND2 ASN 164 . . B 2 -0.994 0.28 26.562 1 25.13 ? ND2 ASN 159 H 1 +ATOM 1553 N N LEU 165 . . B 2 3.469 -2.846 28.766 1 20.18 ? N LEU 160 H 1 +ATOM 1554 C CA LEU 165 . . B 2 3.902 -3.742 29.856 1 21.41 ? CA LEU 160 H 1 +ATOM 1555 C C LEU 165 . . B 2 4.4 -2.994 31.072 1 23.18 ? C LEU 160 H 1 +ATOM 1556 O O LEU 165 . . B 2 5.123 -1.99 31.073 1 22.36 ? O LEU 160 H 1 +ATOM 1557 C CB LEU 165 . . B 2 4.996 -4.61 29.165 1 21.99 ? CB LEU 160 H 1 +ATOM 1558 C CG LEU 165 . . B 2 4.565 -5.372 27.927 1 23.14 ? CG LEU 160 H 1 +ATOM 1559 C CD1 LEU 165 . . B 2 5.688 -5.839 27.02 1 24.63 ? CD1 LEU 160 H 1 +ATOM 1560 C CD2 LEU 165 . . B 2 3.737 -6.598 28.363 1 23.38 ? CD2 LEU 160 H 1 +ATOM 1561 N N PRO 166 . . B 2 4.267 -3.602 32.245 1 24.75 ? N PRO 161 H 1 +ATOM 1562 C CA PRO 166 . . B 2 4.793 -2.988 33.479 1 24.83 ? CA PRO 161 H 1 +ATOM 1563 C C PRO 166 . . B 2 6.266 -3.341 33.608 1 25.11 ? C PRO 161 H 1 +ATOM 1564 O O PRO 166 . . B 2 6.659 -4.367 33.035 1 24.73 ? O PRO 161 H 1 +ATOM 1565 C CB PRO 166 . . B 2 3.973 -3.614 34.584 1 25.17 ? CB PRO 161 H 1 +ATOM 1566 C CG PRO 166 . . B 2 3.116 -4.701 33.948 1 25.23 ? CG PRO 161 H 1 +ATOM 1567 C CD PRO 166 . . B 2 3.46 -4.801 32.487 1 25.58 ? CD PRO 161 H 1 +ATOM 1568 N N ILE 167 . . B 2 7.089 -2.486 34.186 1 25 ? N ILE 162 H 1 +ATOM 1569 C CA ILE 167 . . B 2 8.503 -2.614 34.488 1 24.63 ? CA ILE 162 H 1 +ATOM 1570 C C ILE 167 . . B 2 8.475 -3.579 35.723 1 24.51 ? C ILE 162 H 1 +ATOM 1571 O O ILE 167 . . B 2 7.661 -3.356 36.625 1 25.17 ? O ILE 162 H 1 +ATOM 1572 C CB ILE 167 . . B 2 9.295 -1.34 34.921 1 24.38 ? CB ILE 162 H 1 +ATOM 1573 C CG1 ILE 167 . . B 2 9.372 -0.209 33.84 1 27.59 ? CG1 ILE 162 H 1 +ATOM 1574 C CG2 ILE 167 . . B 2 10.788 -1.637 35.263 1 26.47 ? CG2 ILE 162 H 1 +ATOM 1575 C CD1 ILE 167 . . B 2 9.636 -0.833 32.453 1 26.88 ? CD1 ILE 162 H 1 +ATOM 1576 N N VAL 168 . . B 2 9.365 -4.526 35.78 1 24.01 ? N VAL 163 H 1 +ATOM 1577 C CA VAL 168 . . B 2 9.403 -5.596 36.812 1 24.97 ? CA VAL 163 H 1 +ATOM 1578 C C VAL 168 . . B 2 10.703 -5.347 37.622 1 24.12 ? C VAL 163 H 1 +ATOM 1579 O O VAL 168 . . B 2 11.803 -5.044 37.121 1 23.07 ? O VAL 163 H 1 +ATOM 1580 C CB VAL 168 . . B 2 9.299 -7.019 36.147 1 23.47 ? CB VAL 163 H 1 +ATOM 1581 C CG1 VAL 168 . . B 2 9.441 -8.255 37.049 1 21.3 ? CG1 VAL 163 H 1 +ATOM 1582 C CG2 VAL 168 . . B 2 8.141 -7.227 35.188 1 23.15 ? CG2 VAL 163 H 1 +ATOM 1583 N N GLU 169 . . B 2 10.537 -5.661 38.881 1 25.82 ? N GLU 164 H 1 +ATOM 1584 C CA GLU 169 . . B 2 11.578 -5.524 39.924 1 28.85 ? CA GLU 164 H 1 +ATOM 1585 C C GLU 169 . . B 2 12.759 -6.415 39.574 1 28.44 ? C GLU 164 H 1 +ATOM 1586 O O GLU 169 . . B 2 12.546 -7.396 38.841 1 28.2 ? O GLU 164 H 1 +ATOM 1587 C CB GLU 169 . . B 2 10.962 -5.782 41.277 1 33.8 ? CB GLU 164 H 1 +ATOM 1588 C CG GLU 169 . . B 2 9.733 -5.043 41.776 1 39.68 ? CG GLU 164 H 1 +ATOM 1589 C CD GLU 169 . . B 2 8.377 -5.524 41.334 1 46.44 ? CD GLU 164 H 1 +ATOM 1590 O OE1 GLU 169 . . B 2 8.421 -6.272 40.304 1 48.54 ? OE1 GLU 164 H 1 +ATOM 1591 O OE2 GLU 169 . . B 2 7.273 -5.122 41.765 1 49.9 ? OE2 GLU 164 H 1 +ATOM 1592 N N ARG 170 . . B 2 13.966 -5.911 39.683 1 28.93 ? N ARG 165 H 1 +ATOM 1593 C CA ARG 170 . . B 2 15.22 -6.561 39.278 1 30.53 ? CA ARG 165 H 1 +ATOM 1594 C C ARG 170 . . B 2 15.31 -8.024 39.764 1 29.51 ? C ARG 165 H 1 +ATOM 1595 O O ARG 170 . . B 2 15.742 -8.897 39.04 1 29.56 ? O ARG 165 H 1 +ATOM 1596 C CB ARG 170 . . B 2 16.446 -5.861 39.828 1 37.06 ? CB ARG 165 H 1 +ATOM 1597 C CG ARG 170 . . B 2 17.31 -4.772 39.254 1 42.49 ? CG ARG 165 H 1 +ATOM 1598 C CD ARG 170 . . B 2 17.386 -4.85 37.771 1 48.15 ? CD ARG 165 H 1 +ATOM 1599 N NE ARG 170 . . B 2 18.686 -4.624 37.131 1 47.9 ? NE ARG 165 H 1 +ATOM 1600 C CZ ARG 170 . . B 2 18.953 -5.43 36.067 1 50 ? CZ ARG 165 H 1 +ATOM 1601 N NH1 ARG 170 . . B 2 18.02 -6.356 35.733 1 50 ? NH1 ARG 165 H 1 +ATOM 1602 N NH2 ARG 170 . . B 2 20.093 -5.285 35.385 1 49.29 ? NH2 ARG 165 H 1 +ATOM 1603 N N PRO 171 . . B 2 15.192 -8.16 41.07 1 29 ? N PRO 166 H 1 +ATOM 1604 C CA PRO 171 . . B 2 15.262 -9.421 41.776 1 28.85 ? CA PRO 166 H 1 +ATOM 1605 C C PRO 171 . . B 2 14.295 -10.398 41.135 1 28.63 ? C PRO 166 H 1 +ATOM 1606 O O PRO 171 . . B 2 14.761 -11.508 40.928 1 28.72 ? O PRO 166 H 1 +ATOM 1607 C CB PRO 171 . . B 2 14.933 -9.118 43.216 1 29.15 ? CB PRO 166 H 1 +ATOM 1608 C CG PRO 171 . . B 2 14.702 -7.612 43.302 1 29.23 ? CG PRO 166 H 1 +ATOM 1609 C CD PRO 171 . . B 2 14.909 -7.005 41.935 1 29.25 ? CD PRO 166 H 1 +ATOM 1610 N N VAL 172 . . B 2 13.091 -9.99 40.811 1 27.57 ? N VAL 167 H 1 +ATOM 1611 C CA VAL 172 . . B 2 12.148 -10.857 40.084 1 28.15 ? CA VAL 167 H 1 +ATOM 1612 C C VAL 172 . . B 2 12.804 -11.243 38.75 1 28.24 ? C VAL 167 H 1 +ATOM 1613 O O VAL 172 . . B 2 12.796 -12.358 38.19 1 28.37 ? O VAL 167 H 1 +ATOM 1614 C CB VAL 172 . . B 2 10.781 -10.156 39.935 1 28.09 ? CB VAL 167 H 1 +ATOM 1615 C CG1 VAL 172 . . B 2 9.81 -10.839 38.969 1 26.3 ? CG1 VAL 167 H 1 +ATOM 1616 C CG2 VAL 172 . . B 2 10.044 -9.933 41.248 1 27.42 ? CG2 VAL 167 H 1 +ATOM 1617 N N CYS 173 . . B 2 13.463 -10.226 38.157 1 27.72 ? N CYS 168 H 1 +ATOM 1618 C CA CYS 173 . . B 2 14.101 -10.386 36.832 1 25.68 ? CA CYS 168 H 1 +ATOM 1619 C C CYS 173 . . B 2 15.06 -11.587 36.867 1 25.16 ? C CYS 168 H 1 +ATOM 1620 O O CYS 173 . . B 2 14.931 -12.541 36.066 1 23.47 ? O CYS 168 H 1 +ATOM 1621 C CB CYS 173 . . B 2 14.609 -9.091 36.22 1 25.25 ? CB CYS 168 H 1 +ATOM 1622 S SG CYS 173 . . B 2 13.29 -7.83 35.835 1 23.97 ? SG CYS 168 H 1 +ATOM 1623 N N LYS 174 . . B 2 16.094 -11.433 37.66 1 25.07 ? N LYS 169 H 1 +ATOM 1624 C CA LYS 174 . . B 2 17.11 -12.417 37.962 1 25.9 ? CA LYS 169 H 1 +ATOM 1625 C C LYS 174 . . B 2 16.591 -13.839 38.227 1 23.24 ? C LYS 169 H 1 +ATOM 1626 O O LYS 174 . . B 2 17.059 -14.828 37.703 1 25.65 ? O LYS 169 H 1 +ATOM 1627 C CB LYS 174 . . B 2 17.626 -11.99 39.361 1 29.38 ? CB LYS 169 H 1 +ATOM 1628 C CG LYS 174 . . B 2 18.371 -10.678 39.403 1 34.18 ? CG LYS 169 H 1 +ATOM 1629 C CD LYS 174 . . B 2 19.876 -10.977 39.256 1 38.6 ? CD LYS 169 H 1 +ATOM 1630 C CE LYS 174 . . B 2 20.59 -9.654 39.552 1 42 ? CE LYS 169 H 1 +ATOM 1631 N NZ LYS 174 . . B 2 19.581 -8.852 40.335 1 47.83 ? NZ LYS 169 H 1 +ATOM 1632 N N ASP 175 . . B 2 15.661 -13.98 39.139 1 23.06 ? N ASP 170 H 1 +ATOM 1633 C CA ASP 175 . . B 2 14.967 -15.133 39.684 1 21.42 ? CA ASP 170 H 1 +ATOM 1634 C C ASP 175 . . B 2 14.206 -15.946 38.659 1 20.52 ? C ASP 170 H 1 +ATOM 1635 O O ASP 175 . . B 2 13.723 -17.05 38.972 1 18.71 ? O ASP 170 H 1 +ATOM 1636 C CB ASP 175 . . B 2 14.033 -14.713 40.831 1 19.28 ? CB ASP 170 H 1 +ATOM 1637 C CG ASP 175 . . B 2 14.858 -14.76 42.125 1 21.03 ? CG ASP 170 H 1 +ATOM 1638 O OD1 ASP 175 . . B 2 16.108 -14.956 41.998 1 20.54 ? OD1 ASP 170 H 1 +ATOM 1639 O OD2 ASP 175 . . B 2 14.374 -14.562 43.24 1 20.64 ? OD2 ASP 170 H 1 +ATOM 1640 N N SER 176 . . B 2 14.176 -15.362 37.484 1 20.78 ? N SER 171 H 1 +ATOM 1641 C CA SER 176 . . B 2 13.346 -15.861 36.364 1 21.59 ? CA SER 171 H 1 +ATOM 1642 C C SER 176 . . B 2 14.19 -16.477 35.281 1 21.23 ? C SER 171 H 1 +ATOM 1643 O O SER 176 . . B 2 13.656 -16.86 34.249 1 23.76 ? O SER 171 H 1 +ATOM 1644 C CB SER 176 . . B 2 12.446 -14.754 35.781 1 24.21 ? CB SER 171 H 1 +ATOM 1645 O OG SER 176 . . B 2 12.976 -13.814 34.866 1 19.43 ? OG SER 171 H 1 +ATOM 1646 N N THR 177 . . B 2 15.481 -16.393 35.353 1 20.28 ? N THR 172 H 1 +ATOM 1647 C CA THR 177 . . B 2 16.343 -16.981 34.309 1 18.73 ? CA THR 172 H 1 +ATOM 1648 C C THR 177 . . B 2 17.618 -17.48 35.03 1 19.01 ? C THR 172 H 1 +ATOM 1649 O O THR 177 . . B 2 18.012 -16.942 36.153 1 18.06 ? O THR 172 H 1 +ATOM 1650 C CB THR 177 . . B 2 16.623 -15.729 33.375 1 17.78 ? CB THR 172 H 1 +ATOM 1651 O OG1 THR 177 . . B 2 17.657 -16.063 32.397 1 22 ? OG1 THR 172 H 1 +ATOM 1652 C CG2 THR 177 . . B 2 17.11 -14.473 34.155 1 14.19 ? CG2 THR 172 H 1 +ATOM 1653 N N ARG 178 . . B 2 18.446 -18.061 34.194 1 19.21 ? N ARG 173 H 1 +ATOM 1654 C CA ARG 178 . . B 2 19.734 -18.595 34.533 1 22.2 ? CA ARG 173 H 1 +ATOM 1655 C C ARG 178 . . B 2 20.835 -17.787 33.817 1 21.85 ? C ARG 173 H 1 +ATOM 1656 O O ARG 178 . . B 2 22.012 -18.133 34.03 1 20.48 ? O ARG 173 H 1 +ATOM 1657 C CB ARG 178 . . B 2 20.087 -20.045 34.188 1 30.68 ? CB ARG 173 H 1 +ATOM 1658 C CG ARG 178 . . B 2 19.034 -21.134 34.344 1 36.37 ? CG ARG 173 H 1 +ATOM 1659 C CD ARG 178 . . B 2 19.327 -22.297 33.45 1 40.13 ? CD ARG 173 H 1 +ATOM 1660 N NE ARG 178 . . B 2 20.522 -23.128 33.782 1 44.45 ? NE ARG 173 H 1 +ATOM 1661 C CZ ARG 178 . . B 2 20.419 -24.433 33.38 1 45.78 ? CZ ARG 173 H 1 +ATOM 1662 N NH1 ARG 178 . . B 2 19.2 -24.854 32.954 1 45.46 ? NH1 ARG 173 H 1 +ATOM 1663 N NH2 ARG 178 . . B 2 21.38 -25.341 33.449 1 44.03 ? NH2 ARG 173 H 1 +ATOM 1664 N N ILE 179 . . B 2 20.366 -16.846 33.016 1 21.86 ? N ILE 174 H 1 +ATOM 1665 C CA ILE 179 . . B 2 21.331 -15.935 32.317 1 21.1 ? CA ILE 174 H 1 +ATOM 1666 C C ILE 179 . . B 2 21.766 -14.864 33.339 1 21.01 ? C ILE 174 H 1 +ATOM 1667 O O ILE 179 . . B 2 21.011 -14.467 34.257 1 17.88 ? O ILE 174 H 1 +ATOM 1668 C CB ILE 179 . . B 2 20.632 -15.24 31.094 1 21.69 ? CB ILE 174 H 1 +ATOM 1669 C CG1 ILE 179 . . B 2 20.054 -16.323 30.135 1 22.43 ? CG1 ILE 174 H 1 +ATOM 1670 C CG2 ILE 179 . . B 2 21.557 -14.255 30.339 1 21.66 ? CG2 ILE 174 H 1 +ATOM 1671 C CD1 ILE 179 . . B 2 21.212 -16.882 29.249 1 20.63 ? CD1 ILE 174 H 1 +ATOM 1672 N N ARG 180 . . B 2 23.068 -14.547 33.258 1 22.94 ? N ARG 175 H 1 +ATOM 1673 C CA ARG 180 . . B 2 23.458 -13.435 34.206 1 23.3 ? CA ARG 175 H 1 +ATOM 1674 C C ARG 180 . . B 2 23.117 -12.063 33.583 1 23.78 ? C ARG 175 H 1 +ATOM 1675 O O ARG 180 . . B 2 23.608 -11.523 32.539 1 24.53 ? O ARG 175 H 1 +ATOM 1676 C CB ARG 180 . . B 2 24.89 -13.648 34.612 1 24.17 ? CB ARG 175 H 1 +ATOM 1677 C CG ARG 180 . . B 2 25.597 -12.407 35.193 1 27.06 ? CG ARG 175 H 1 +ATOM 1678 C CD ARG 180 . . B 2 27.074 -12.509 35.309 1 29.27 ? CD ARG 175 H 1 +ATOM 1679 N NE ARG 180 . . B 2 27.782 -12.43 34.04 1 29.36 ? NE ARG 175 H 1 +ATOM 1680 C CZ ARG 180 . . B 2 28.16 -11.301 33.415 1 29.95 ? CZ ARG 175 H 1 +ATOM 1681 N NH1 ARG 180 . . B 2 27.874 -10.121 33.958 1 28.52 ? NH1 ARG 175 H 1 +ATOM 1682 N NH2 ARG 180 . . B 2 28.821 -11.368 32.261 1 28.14 ? NH2 ARG 175 H 1 +ATOM 1683 N N ILE 181 . . B 2 22.254 -11.351 34.243 1 24.45 ? N ILE 176 H 1 +ATOM 1684 C CA ILE 181 . . B 2 21.601 -10.033 34.073 1 24.79 ? CA ILE 176 H 1 +ATOM 1685 C C ILE 181 . . B 2 22.581 -8.961 34.564 1 25.93 ? C ILE 176 H 1 +ATOM 1686 O O ILE 181 . . B 2 23.231 -9.054 35.635 1 24.99 ? O ILE 176 H 1 +ATOM 1687 C CB ILE 181 . . B 2 20.272 -10.223 34.892 1 25.34 ? CB ILE 176 H 1 +ATOM 1688 C CG1 ILE 181 . . B 2 19.236 -11.098 34.133 1 24.73 ? CG1 ILE 176 H 1 +ATOM 1689 C CG2 ILE 181 . . B 2 19.438 -9.095 35.524 1 25.76 ? CG2 ILE 176 H 1 +ATOM 1690 C CD1 ILE 181 . . B 2 19.303 -11.179 32.62 1 24.41 ? CD1 ILE 176 H 1 +ATOM 1691 N N THR 182 . . B 2 22.861 -7.937 33.777 1 26.69 ? N THR 177 H 1 +ATOM 1692 C CA THR 182 . . B 2 23.738 -6.804 34.167 1 25.94 ? CA THR 177 H 1 +ATOM 1693 C C THR 182 . . B 2 22.889 -5.551 34.291 1 27.48 ? C THR 177 H 1 +ATOM 1694 O O THR 182 . . B 2 21.747 -5.559 33.784 1 29.73 ? O THR 177 H 1 +ATOM 1695 C CB THR 182 . . B 2 24.771 -6.657 33.024 1 24.25 ? CB THR 177 H 1 +ATOM 1696 O OG1 THR 182 . . B 2 23.937 -6.019 31.97 1 26.98 ? OG1 THR 177 H 1 +ATOM 1697 C CG2 THR 182 . . B 2 25.47 -7.894 32.486 1 23.52 ? CG2 THR 177 H 1 +ATOM 1698 N N ASP 183 . . B 2 23.302 -4.481 34.916 1 27.5 ? N ASP 178 H 1 +ATOM 1699 C CA ASP 183 . . B 2 22.742 -3.151 35.1 1 26.08 ? CA ASP 178 H 1 +ATOM 1700 C C ASP 183 . . B 2 22.316 -2.487 33.783 1 25.14 ? C ASP 178 H 1 +ATOM 1701 O O ASP 183 . . B 2 21.292 -1.817 33.817 1 25.69 ? O ASP 178 H 1 +ATOM 1702 C CB ASP 183 . . B 2 23.773 -2.206 35.766 1 29.93 ? CB ASP 178 H 1 +ATOM 1703 C CG ASP 183 . . B 2 23.718 -2.56 37.279 1 29.4 ? CG ASP 178 H 1 +ATOM 1704 O OD1 ASP 183 . . B 2 22.746 -3.202 37.692 1 29.59 ? OD1 ASP 178 H 1 +ATOM 1705 O OD2 ASP 183 . . B 2 24.716 -2.247 37.912 1 30.76 ? OD2 ASP 178 H 1 +ATOM 1706 N N ASN 184 . . B 2 22.924 -2.893 32.688 1 23.4 ? N ASN 179 H 1 +ATOM 1707 C CA ASN 184 . . B 2 22.475 -2.451 31.369 1 20.59 ? CA ASN 179 H 1 +ATOM 1708 C C ASN 184 . . B 2 21.189 -3.137 30.945 1 18.68 ? C ASN 179 H 1 +ATOM 1709 O O ASN 184 . . B 2 21.028 -3.095 29.676 1 18.06 ? O ASN 179 H 1 +ATOM 1710 C CB ASN 184 . . B 2 23.55 -2.748 30.311 1 16.95 ? CB ASN 179 H 1 +ATOM 1711 C CG ASN 184 . . B 2 24.888 -2.311 30.767 1 20.45 ? CG ASN 179 H 1 +ATOM 1712 O OD1 ASN 184 . . B 2 24.829 -1.19 31.316 1 18.34 ? OD1 ASN 179 H 1 +ATOM 1713 N ND2 ASN 184 . . B 2 26.056 -2.98 30.612 1 19.8 ? ND2 ASN 179 H 1 +ATOM 1714 N N MET 185 . . B 2 20.477 -3.859 31.807 1 17.4 ? N MET 180 H 1 +ATOM 1715 C CA MET 185 . . B 2 19.265 -4.536 31.291 1 16.35 ? CA MET 180 H 1 +ATOM 1716 C C MET 185 . . B 2 18.111 -4.276 32.244 1 16.56 ? C MET 180 H 1 +ATOM 1717 O O MET 185 . . B 2 18.339 -3.887 33.375 1 17.77 ? O MET 180 H 1 +ATOM 1718 C CB MET 185 . . B 2 19.306 -6.096 31.179 1 18.04 ? CB MET 180 H 1 +ATOM 1719 C CG MET 185 . . B 2 20.231 -6.681 30.184 1 14.79 ? CG MET 180 H 1 +ATOM 1720 S SD MET 185 . . B 2 20.826 -8.358 30.704 1 17.01 ? SD MET 180 H 1 +ATOM 1721 C CE MET 185 . . B 2 22.236 -8.593 29.706 1 10.03 ? CE MET 180 H 1 +ATOM 1722 N N PHE 186 . . B 2 16.921 -4.396 31.687 1 16.11 ? N PHE 181 H 1 +ATOM 1723 C CA PHE 186 . . B 2 15.736 -4.332 32.578 1 15.37 ? CA PHE 181 H 1 +ATOM 1724 C C PHE 186 . . B 2 14.771 -5.356 31.91 1 15.25 ? C PHE 181 H 1 +ATOM 1725 O O PHE 186 . . B 2 15.132 -5.731 30.782 1 16.45 ? O PHE 181 H 1 +ATOM 1726 C CB PHE 186 . . B 2 15.272 -2.913 32.839 1 15.07 ? CB PHE 181 H 1 +ATOM 1727 C CG PHE 186 . . B 2 14.548 -2.275 31.661 1 15.53 ? CG PHE 181 H 1 +ATOM 1728 C CD1 PHE 186 . . B 2 13.162 -2.415 31.534 1 15.6 ? CD1 PHE 181 H 1 +ATOM 1729 C CD2 PHE 186 . . B 2 15.275 -1.547 30.717 1 15.94 ? CD2 PHE 181 H 1 +ATOM 1730 C CE1 PHE 186 . . B 2 12.499 -1.828 30.453 1 15.24 ? CE1 PHE 181 H 1 +ATOM 1731 C CE2 PHE 186 . . B 2 14.613 -0.957 29.636 1 13.83 ? CE2 PHE 181 H 1 +ATOM 1732 C CZ PHE 186 . . B 2 13.225 -1.098 29.503 1 15.3 ? CZ PHE 181 H 1 +ATOM 1733 N N CYS 187 . . B 2 13.808 -5.891 32.599 1 13.89 ? N CYS 182 H 1 +ATOM 1734 C CA CYS 187 . . B 2 12.852 -6.877 32.175 1 15.29 ? CA CYS 182 H 1 +ATOM 1735 C C CYS 187 . . B 2 11.5 -6.21 32.478 1 14.68 ? C CYS 182 H 1 +ATOM 1736 O O CYS 187 . . B 2 11.367 -5.36 33.379 1 12.62 ? O CYS 182 H 1 +ATOM 1737 C CB CYS 187 . . B 2 13.042 -8.259 32.859 1 19.36 ? CB CYS 182 H 1 +ATOM 1738 S SG CYS 187 . . B 2 12.141 -8.577 34.389 1 22.42 ? SG CYS 182 H 1 +ATOM 1739 N N ALA 188 . . B 2 10.603 -6.638 31.656 1 16.32 ? N ALA 183 H 1 +ATOM 1740 C CA ALA 188 . . B 2 9.201 -6.192 31.655 1 18.16 ? CA ALA 183 H 1 +ATOM 1741 C C ALA 188 . . B 2 8.291 -7.335 31.161 1 18.8 ? C ALA 183 H 1 +ATOM 1742 O O ALA 188 . . B 2 8.675 -8.062 30.216 1 19.73 ? O ALA 183 H 1 +ATOM 1743 C CB ALA 188 . . B 2 9.141 -5.053 30.608 1 24.37 ? CB ALA 183 H 1 +ATOM 1744 N N GLY 189 . . B 2 7.098 -7.327 31.726 1 18.36 ? N GLY 184 H 1 +ATOM 1745 C CA GLY 189 . . B 2 5.959 -8.179 31.556 1 19.5 ? CA GLY 184 H 1 +ATOM 1746 C C GLY 189 . . B 2 5.069 -8.272 32.77 1 19.2 ? C GLY 184 H 1 +ATOM 1747 O O GLY 189 . . B 2 5.36 -7.833 33.884 1 18.23 ? O GLY 184 H 1 +ATOM 1748 N N TYR 190 . A B 2 3.92 -8.908 32.562 1 22.5 ? N TYR 184 H 1 +ATOM 1749 C CA TYR 190 . A B 2 2.973 -9.145 33.695 1 25.25 ? CA TYR 184 H 1 +ATOM 1750 C C TYR 190 . A B 2 3.318 -10.42 34.47 1 26.86 ? C TYR 184 H 1 +ATOM 1751 O O TYR 190 . A B 2 4.015 -11.299 33.956 1 26.39 ? O TYR 184 H 1 +ATOM 1752 C CB TYR 190 . A B 2 1.56 -9.257 33.103 1 26.24 ? CB TYR 184 H 1 +ATOM 1753 C CG TYR 190 . A B 2 1.034 -7.962 32.481 1 27.03 ? CG TYR 184 H 1 +ATOM 1754 C CD1 TYR 190 . A B 2 0.472 -6.973 33.295 1 29.44 ? CD1 TYR 184 H 1 +ATOM 1755 C CD2 TYR 190 . A B 2 1.107 -7.769 31.097 1 29.04 ? CD2 TYR 184 H 1 +ATOM 1756 C CE1 TYR 190 . A B 2 -0.029 -5.797 32.724 1 29.73 ? CE1 TYR 184 H 1 +ATOM 1757 C CE2 TYR 190 . A B 2 0.607 -6.591 30.526 1 29.45 ? CE2 TYR 184 H 1 +ATOM 1758 C CZ TYR 190 . A B 2 0.036 -5.607 31.341 1 28.18 ? CZ TYR 184 H 1 +ATOM 1759 O OH TYR 190 . A B 2 -0.462 -4.468 30.787 1 29.15 ? OH TYR 184 H 1 +ATOM 1760 N N LYS 191 . . B 2 2.996 -10.568 35.727 1 30.54 ? N LYS 185 H 1 +ATOM 1761 C CA LYS 191 . . B 2 3.155 -11.747 36.598 1 33.87 ? CA LYS 185 H 1 +ATOM 1762 C C LYS 191 . . B 2 1.902 -12.591 36.414 1 37.4 ? C LYS 185 H 1 +ATOM 1763 O O LYS 191 . . B 2 0.8 -12.073 36.154 1 38.49 ? O LYS 185 H 1 +ATOM 1764 C CB LYS 191 . . B 2 3.296 -11.376 38.054 1 31.91 ? CB LYS 185 H 1 +ATOM 1765 C CG LYS 191 . . B 2 4.134 -10.14 38.142 1 33.65 ? CG LYS 185 H 1 +ATOM 1766 C CD LYS 191 . . B 2 5.543 -10.22 38.611 1 36.7 ? CD LYS 185 H 1 +ATOM 1767 C CE LYS 191 . . B 2 5.994 -8.8 39.011 1 40.36 ? CE LYS 185 H 1 +ATOM 1768 N NZ LYS 191 . . B 2 5.292 -8.339 40.252 1 40.46 ? NZ LYS 185 H 1 +ATOM 1769 N N PRO 192 . . B 2 2.078 -13.911 36.461 1 41.05 ? N PRO 186 H 1 +ATOM 1770 C CA PRO 192 . . B 2 0.992 -14.849 36.082 1 41.39 ? CA PRO 186 H 1 +ATOM 1771 C C PRO 192 . . B 2 -0.107 -14.614 37.086 1 41.63 ? C PRO 186 H 1 +ATOM 1772 O O PRO 192 . . B 2 -1.251 -14.895 36.732 1 42.54 ? O PRO 186 H 1 +ATOM 1773 C CB PRO 192 . . B 2 1.592 -16.232 36.039 1 42.03 ? CB PRO 186 H 1 +ATOM 1774 C CG PRO 192 . . B 2 3.049 -16.077 36.488 1 42.39 ? CG PRO 186 H 1 +ATOM 1775 C CD PRO 192 . . B 2 3.318 -14.625 36.833 1 42.26 ? CD PRO 186 H 1 +ATOM 1776 N N ASP 193 . A B 2 0.358 -14.037 38.194 1 42.66 ? N ASP 186 H 1 +ATOM 1777 C CA ASP 193 . A B 2 -0.733 -13.835 39.18 1 45.62 ? CA ASP 186 H 1 +ATOM 1778 C C ASP 193 . A B 2 -1.599 -12.773 38.51 1 45.94 ? C ASP 186 H 1 +ATOM 1779 O O ASP 193 . A B 2 -2.78 -13.089 38.423 1 47.23 ? O ASP 186 H 1 +ATOM 1780 C CB ASP 193 . A B 2 -0.337 -13.629 40.613 1 50 ? CB ASP 186 H 1 +ATOM 1781 C CG ASP 193 . A B 2 0.974 -12.954 40.923 1 50 ? CG ASP 186 H 1 +ATOM 1782 O OD1 ASP 193 . A B 2 2.067 -13.316 40.391 1 50 ? OD1 ASP 186 H 1 +ATOM 1783 O OD2 ASP 193 . A B 2 0.927 -12.079 41.84 1 50 ? OD2 ASP 186 H 1 +ATOM 1784 N N GLU 194 . B B 2 -0.991 -11.767 37.912 1 46.23 ? N GLU 186 H 1 +ATOM 1785 C CA GLU 194 . B B 2 -1.746 -10.645 37.322 1 45.21 ? CA GLU 186 H 1 +ATOM 1786 C C GLU 194 . B B 2 -2.692 -10.987 36.177 1 44.42 ? C GLU 186 H 1 +ATOM 1787 O O GLU 194 . B B 2 -3.689 -10.225 35.933 1 44.71 ? O GLU 186 H 1 +ATOM 1788 C CB GLU 194 . B B 2 -0.808 -9.498 36.936 1 45.58 ? CB GLU 186 H 1 +ATOM 1789 C CG GLU 194 . B B 2 0.129 -8.937 38.01 1 45.7 ? CG GLU 186 H 1 +ATOM 1790 C CD GLU 194 . B B 2 1.258 -8.116 37.485 1 46.8 ? CD GLU 186 H 1 +ATOM 1791 O OE1 GLU 194 . B B 2 1.303 -8.37 36.255 1 49.13 ? OE1 GLU 186 H 1 +ATOM 1792 O OE2 GLU 194 . B B 2 2.054 -7.362 38.029 1 47.34 ? OE2 GLU 186 H 1 +ATOM 1793 N N GLY 195 . C B 2 -2.491 -11.886 35.289 1 42.33 ? N GLY 186 H 1 +ATOM 1794 C CA GLY 195 . C B 2 -3.694 -12.318 34.555 1 40.48 ? CA GLY 186 H 1 +ATOM 1795 C C GLY 195 . C B 2 -3.952 -11.384 33.362 1 39.47 ? C GLY 186 H 1 +ATOM 1796 O O GLY 195 . C B 2 -5.105 -11.159 32.98 1 40.85 ? O GLY 186 H 1 +ATOM 1797 N N LYS 196 . D B 2 -2.841 -10.897 32.854 1 37.13 ? N LYS 186 H 1 +ATOM 1798 C CA LYS 196 . D B 2 -2.735 -9.984 31.691 1 32.32 ? CA LYS 186 H 1 +ATOM 1799 C C LYS 196 . D B 2 -1.447 -10.4 30.962 1 30.88 ? C LYS 186 H 1 +ATOM 1800 O O LYS 196 . D B 2 -0.449 -10.754 31.576 1 29.94 ? O LYS 186 H 1 +ATOM 1801 C CB LYS 196 . D B 2 -2.624 -8.523 32.203 1 33.2 ? CB LYS 186 H 1 +ATOM 1802 C CG LYS 196 . D B 2 -3.853 -7.652 31.905 1 33.09 ? CG LYS 186 H 1 +ATOM 1803 C CD LYS 196 . D B 2 -3.626 -6.686 30.735 1 35.78 ? CD LYS 186 H 1 +ATOM 1804 C CE LYS 196 . D B 2 -4.557 -5.468 30.756 1 39.84 ? CE LYS 186 H 1 +ATOM 1805 N NZ LYS 196 . D B 2 -5.288 -5.317 32.021 1 43.09 ? NZ LYS 186 H 1 +ATOM 1806 N N ARG 197 . . B 2 -1.388 -10.394 29.644 1 27.13 ? N ARG 187 H 1 +ATOM 1807 C CA ARG 197 . . B 2 -0.101 -10.802 29.001 1 25.9 ? CA ARG 187 H 1 +ATOM 1808 C C ARG 197 . . B 2 0.325 -9.886 27.864 1 24.07 ? C ARG 187 H 1 +ATOM 1809 O O ARG 197 . . B 2 -0.272 -8.847 27.614 1 24.32 ? O ARG 187 H 1 +ATOM 1810 C CB ARG 197 . . B 2 -0.135 -12.204 28.395 1 28.23 ? CB ARG 187 H 1 +ATOM 1811 C CG ARG 197 . . B 2 -1.483 -12.888 28.398 1 26.79 ? CG ARG 187 H 1 +ATOM 1812 C CD ARG 197 . . B 2 -1.343 -14.371 28.059 1 28.12 ? CD ARG 187 H 1 +ATOM 1813 N NE ARG 197 . . B 2 -1.029 -15.164 29.243 1 31.57 ? NE ARG 187 H 1 +ATOM 1814 C CZ ARG 197 . . B 2 0.054 -15.938 29.404 1 30.26 ? CZ ARG 187 H 1 +ATOM 1815 N NH1 ARG 197 . . B 2 0.986 -16.069 28.441 1 29.7 ? NH1 ARG 187 H 1 +ATOM 1816 N NH2 ARG 197 . . B 2 0.296 -16.625 30.52 1 22.16 ? NH2 ARG 187 H 1 +ATOM 1817 N N GLY 198 . . B 2 1.282 -10.574 27.101 1 20.36 ? N GLY 188 H 1 +ATOM 1818 C CA GLY 198 . . B 2 1.804 -9.739 25.988 1 18.16 ? CA GLY 188 H 1 +ATOM 1819 C C GLY 198 . . B 2 3.338 -9.81 26.271 1 16.44 ? C GLY 188 H 1 +ATOM 1820 O O GLY 198 . . B 2 3.71 -9.79 27.452 1 16.83 ? O GLY 188 H 1 +ATOM 1821 N N ASP 199 . . B 2 4.109 -9.678 25.257 1 13.8 ? N ASP 189 H 1 +ATOM 1822 C CA ASP 199 . . B 2 5.541 -9.754 25.236 1 16.44 ? CA ASP 189 H 1 +ATOM 1823 C C ASP 199 . . B 2 5.875 -9.47 23.779 1 16.74 ? C ASP 189 H 1 +ATOM 1824 O O ASP 199 . . B 2 4.964 -9.409 22.928 1 16.36 ? O ASP 189 H 1 +ATOM 1825 C CB ASP 199 . . B 2 5.881 -11.219 25.725 1 17.38 ? CB ASP 189 H 1 +ATOM 1826 C CG ASP 199 . . B 2 7.331 -11.427 26.009 1 26.38 ? CG ASP 189 H 1 +ATOM 1827 O OD1 ASP 199 . . B 2 8.148 -10.437 26.05 1 25.37 ? OD1 ASP 189 H 1 +ATOM 1828 O OD2 ASP 199 . . B 2 7.777 -12.588 26.338 1 27.58 ? OD2 ASP 189 H 1 +ATOM 1829 N N ALA 200 . . B 2 7.087 -9.081 23.521 1 18.17 ? N ALA 190 H 1 +ATOM 1830 C CA ALA 200 . . B 2 7.728 -8.899 22.241 1 20.7 ? CA ALA 190 H 1 +ATOM 1831 C C ALA 200 . . B 2 7.963 -10.346 21.76 1 22.45 ? C ALA 190 H 1 +ATOM 1832 O O ALA 200 . . B 2 7.666 -11.272 22.536 1 23.58 ? O ALA 190 H 1 +ATOM 1833 C CB ALA 200 . . B 2 9.111 -8.267 22.489 1 22.99 ? CB ALA 190 H 1 +ATOM 1834 N N CYS 201 . . B 2 8.646 -10.628 20.679 1 23.35 ? N CYS 191 H 1 +ATOM 1835 C CA CYS 201 . . B 2 8.885 -12.044 20.307 1 24.53 ? CA CYS 191 H 1 +ATOM 1836 C C CYS 201 . . B 2 9.94 -11.838 19.224 1 25.74 ? C CYS 191 H 1 +ATOM 1837 O O CYS 201 . . B 2 10.275 -10.689 18.867 1 25.72 ? O CYS 191 H 1 +ATOM 1838 C CB CYS 201 . . B 2 7.561 -12.733 19.903 1 27.09 ? CB CYS 191 H 1 +ATOM 1839 S SG CYS 201 . . B 2 7.482 -14.595 19.816 1 28.77 ? SG CYS 191 H 1 +ATOM 1840 N N GLU 202 . . B 2 10.541 -12.901 18.777 1 26.07 ? N GLU 192 H 1 +ATOM 1841 C CA GLU 202 . . B 2 11.435 -12.898 17.646 1 25.54 ? CA GLU 192 H 1 +ATOM 1842 C C GLU 202 . . B 2 10.805 -11.913 16.665 1 24.52 ? C GLU 192 H 1 +ATOM 1843 O O GLU 202 . . B 2 9.59 -12.032 16.476 1 23.64 ? O GLU 192 H 1 +ATOM 1844 C CB GLU 202 . . B 2 11.093 -14.228 16.958 1 29.16 ? CB GLU 192 H 1 +ATOM 1845 C CG GLU 202 . . B 2 12.187 -15.144 16.544 1 37.29 ? CG GLU 192 H 1 +ATOM 1846 C CD GLU 202 . . B 2 12.08 -15.623 15.123 1 41.65 ? CD GLU 192 H 1 +ATOM 1847 O OE1 GLU 202 . . B 2 11.806 -14.631 14.388 1 43.98 ? OE1 GLU 192 H 1 +ATOM 1848 O OE2 GLU 202 . . B 2 12.285 -16.792 14.776 1 45.51 ? OE2 GLU 192 H 1 +ATOM 1849 N N GLY 203 . . B 2 11.619 -11.34 15.823 1 24.56 ? N GLY 193 H 1 +ATOM 1850 C CA GLY 203 . . B 2 11.347 -10.419 14.737 1 22.54 ? CA GLY 193 H 1 +ATOM 1851 C C GLY 203 . . B 2 11.159 -9.009 15.207 1 22.74 ? C GLY 193 H 1 +ATOM 1852 O O GLY 203 . . B 2 11.307 -8.08 14.366 1 24.17 ? O GLY 193 H 1 +ATOM 1853 N N ASP 204 . . B 2 10.755 -8.894 16.454 1 22.39 ? N ASP 194 H 1 +ATOM 1854 C CA ASP 204 . . B 2 10.498 -7.697 17.242 1 21.42 ? CA ASP 194 H 1 +ATOM 1855 C C ASP 204 . . B 2 11.78 -7.03 17.708 1 21.37 ? C ASP 194 H 1 +ATOM 1856 O O ASP 204 . . B 2 11.78 -5.835 18.055 1 21.84 ? O ASP 194 H 1 +ATOM 1857 C CB ASP 204 . . B 2 9.705 -8.055 18.486 1 21.86 ? CB ASP 194 H 1 +ATOM 1858 C CG ASP 204 . . B 2 8.228 -8.095 18.242 1 23.76 ? CG ASP 194 H 1 +ATOM 1859 O OD1 ASP 204 . . B 2 8.005 -7.443 17.217 1 23.63 ? OD1 ASP 194 H 1 +ATOM 1860 O OD2 ASP 204 . . B 2 7.345 -8.498 19.018 1 29.35 ? OD2 ASP 194 H 1 +ATOM 1861 N N SER 205 . . B 2 12.826 -7.777 17.962 1 20.5 ? N SER 195 H 1 +ATOM 1862 C CA SER 205 . . B 2 14.097 -7.194 18.459 1 18.71 ? CA SER 195 H 1 +ATOM 1863 C C SER 205 . . B 2 14.502 -5.871 17.787 1 17.38 ? C SER 195 H 1 +ATOM 1864 O O SER 205 . . B 2 14.344 -5.74 16.603 1 13.53 ? O SER 195 H 1 +ATOM 1865 C CB SER 205 . . B 2 15.115 -8.286 18.174 1 20.15 ? CB SER 195 H 1 +ATOM 1866 O OG SER 205 . . B 2 15.946 -8.583 19.277 1 28.11 ? OG SER 195 H 1 +ATOM 1867 N N GLY 206 . . B 2 15.166 -4.932 18.48 1 16.89 ? N GLY 196 H 1 +ATOM 1868 C CA GLY 206 . . B 2 15.711 -3.667 17.986 1 17.23 ? CA GLY 196 H 1 +ATOM 1869 C C GLY 206 . . B 2 14.661 -2.568 18.097 1 18 ? C GLY 196 H 1 +ATOM 1870 O O GLY 206 . . B 2 14.885 -1.361 18.34 1 18.77 ? O GLY 196 H 1 +ATOM 1871 N N GLY 207 . . B 2 13.431 -2.993 18.45 1 18.02 ? N GLY 197 H 1 +ATOM 1872 C CA GLY 207 . . B 2 12.338 -2.023 18.431 1 17.97 ? CA GLY 197 H 1 +ATOM 1873 C C GLY 207 . . B 2 12.514 -1.193 19.674 1 19.13 ? C GLY 197 H 1 +ATOM 1874 O O GLY 207 . . B 2 13.11 -1.659 20.647 1 20.77 ? O GLY 197 H 1 +ATOM 1875 N N PRO 208 . . B 2 11.63 -0.195 19.776 1 19.19 ? N PRO 198 H 1 +ATOM 1876 C CA PRO 208 . . B 2 11.627 0.654 20.975 1 17.8 ? CA PRO 198 H 1 +ATOM 1877 C C PRO 208 . . B 2 10.651 0.187 22.042 1 16.14 ? C PRO 198 H 1 +ATOM 1878 O O PRO 208 . . B 2 9.549 -0.325 21.683 1 17.37 ? O PRO 198 H 1 +ATOM 1879 C CB PRO 208 . . B 2 10.979 2.005 20.497 1 18.22 ? CB PRO 198 H 1 +ATOM 1880 C CG PRO 208 . . B 2 10.619 1.812 19.02 1 19.65 ? CG PRO 198 H 1 +ATOM 1881 C CD PRO 208 . . B 2 11.033 0.423 18.574 1 18.9 ? CD PRO 198 H 1 +ATOM 1882 N N PHE 209 . . B 2 11.079 0.392 23.276 1 14.42 ? N PHE 199 H 1 +ATOM 1883 C CA PHE 209 . . B 2 10.249 0.266 24.506 1 12.98 ? CA PHE 199 H 1 +ATOM 1884 C C PHE 209 . . B 2 10.166 1.784 24.953 1 13.76 ? C PHE 199 H 1 +ATOM 1885 O O PHE 209 . . B 2 11.155 2.48 25.177 1 11.12 ? O PHE 199 H 1 +ATOM 1886 C CB PHE 209 . . B 2 10.953 -0.634 25.501 1 11.9 ? CB PHE 199 H 1 +ATOM 1887 C CG PHE 209 . . B 2 10.219 -0.643 26.815 1 10.39 ? CG PHE 199 H 1 +ATOM 1888 C CD1 PHE 209 . . B 2 10.346 0.45 27.668 1 10.53 ? CD1 PHE 199 H 1 +ATOM 1889 C CD2 PHE 209 . . B 2 9.41 -1.728 27.142 1 11.57 ? CD2 PHE 199 H 1 +ATOM 1890 C CE1 PHE 209 . . B 2 9.639 0.463 28.872 1 10 ? CE1 PHE 199 H 1 +ATOM 1891 C CE2 PHE 209 . . B 2 8.707 -1.721 28.345 1 10 ? CE2 PHE 199 H 1 +ATOM 1892 C CZ PHE 209 . . B 2 8.819 -0.623 29.21 1 11.61 ? CZ PHE 199 H 1 +ATOM 1893 N N VAL 210 . . B 2 9.047 2.429 25.127 1 15.21 ? N VAL 200 H 1 +ATOM 1894 C CA VAL 210 . . B 2 8.887 3.858 25.349 1 16.32 ? CA VAL 200 H 1 +ATOM 1895 C C VAL 210 . . B 2 7.789 4.114 26.365 1 16.85 ? C VAL 200 H 1 +ATOM 1896 O O VAL 210 . . B 2 6.891 3.394 26.74 1 15.07 ? O VAL 200 H 1 +ATOM 1897 C CB VAL 210 . . B 2 8.619 4.628 24.032 1 17.58 ? CB VAL 200 H 1 +ATOM 1898 C CG1 VAL 210 . . B 2 9.405 4.331 22.741 1 16.57 ? CG1 VAL 200 H 1 +ATOM 1899 C CG2 VAL 210 . . B 2 7.17 4.36 23.598 1 20.59 ? CG2 VAL 200 H 1 +ATOM 1900 N N MET 211 . . B 2 8.027 5.283 26.979 1 17.38 ? N MET 201 H 1 +ATOM 1901 C CA MET 211 . . B 2 7.124 5.826 28.008 1 16.94 ? CA MET 201 H 1 +ATOM 1902 C C MET 211 . . B 2 6.832 7.282 27.585 1 16.42 ? C MET 201 H 1 +ATOM 1903 O O MET 211 . . B 2 7.79 7.952 27.093 1 14.89 ? O MET 201 H 1 +ATOM 1904 C CB MET 211 . . B 2 7.917 5.783 29.361 1 16.05 ? CB MET 201 H 1 +ATOM 1905 C CG MET 211 . . B 2 7.673 4.364 29.82 1 20.72 ? CG MET 201 H 1 +ATOM 1906 S SD MET 211 . . B 2 8.736 3.965 31.242 1 19.94 ? SD MET 201 H 1 +ATOM 1907 C CE MET 211 . . B 2 10.244 3.874 30.262 1 17.73 ? CE MET 201 H 1 +ATOM 1908 N N LYS 212 . . B 2 5.675 7.693 28.057 1 17.51 ? N LYS 202 H 1 +ATOM 1909 C CA LYS 212 . . B 2 5.21 9.091 27.831 1 18.74 ? CA LYS 202 H 1 +ATOM 1910 C C LYS 212 . . B 2 5.455 9.914 29.098 1 17.6 ? C LYS 202 H 1 +ATOM 1911 O O LYS 212 . . B 2 4.864 9.491 30.126 1 17.58 ? O LYS 202 H 1 +ATOM 1912 C CB LYS 212 . . B 2 3.689 9.163 27.586 1 18.78 ? CB LYS 202 H 1 +ATOM 1913 C CG LYS 212 . . B 2 3.181 10.58 27.184 1 19.03 ? CG LYS 202 H 1 +ATOM 1914 C CD LYS 212 . . B 2 2.12 10.576 26.129 1 21.59 ? CD LYS 202 H 1 +ATOM 1915 C CE LYS 212 . . B 2 1.625 11.906 25.623 1 24.48 ? CE LYS 202 H 1 +ATOM 1916 N NZ LYS 212 . . B 2 0.29 12.257 26.149 1 24.23 ? NZ LYS 202 H 1 +ATOM 1917 N N SER 213 . . B 2 6.233 10.956 29.037 1 17.4 ? N SER 203 H 1 +ATOM 1918 C CA SER 213 . . B 2 6.352 11.768 30.269 1 14.55 ? CA SER 203 H 1 +ATOM 1919 C C SER 213 . . B 2 5.08 12.47 30.633 1 14.91 ? C SER 203 H 1 +ATOM 1920 O O SER 213 . . B 2 4.444 13.252 29.854 1 13.98 ? O SER 203 H 1 +ATOM 1921 C CB SER 213 . . B 2 7.366 12.929 30.151 1 17.74 ? CB SER 203 H 1 +ATOM 1922 O OG SER 213 . . B 2 7.492 13.591 31.437 1 15.67 ? OG SER 203 H 1 +ATOM 1923 N N PRO 214 . . B 2 4.777 12.301 31.899 1 16.37 ? N PRO 204 H 1 +ATOM 1924 C CA PRO 214 . . B 2 3.593 13.008 32.439 1 17.88 ? CA PRO 204 H 1 +ATOM 1925 C C PRO 214 . . B 2 3.93 14.481 32.742 1 18.61 ? C PRO 204 H 1 +ATOM 1926 O O PRO 214 . . B 2 3 15.267 33.091 1 20.08 ? O PRO 204 H 1 +ATOM 1927 C CB PRO 214 . . B 2 3.249 12.334 33.761 1 17.59 ? CB PRO 204 H 1 +ATOM 1928 C CG PRO 214 . . B 2 4.331 11.273 33.993 1 18.19 ? CG PRO 204 H 1 +ATOM 1929 C CD PRO 214 . . B 2 5.339 11.328 32.86 1 16.73 ? CD PRO 204 H 1 +ATOM 1930 N N PHE 215 . A B 2 5.221 14.852 32.619 1 18.13 ? N PHE 204 H 1 +ATOM 1931 C CA PHE 215 . A B 2 5.726 16.236 32.95 1 20.55 ? CA PHE 204 H 1 +ATOM 1932 C C PHE 215 . A B 2 5.591 17.183 31.745 1 22.08 ? C PHE 204 H 1 +ATOM 1933 O O PHE 215 . A B 2 4.899 18.22 31.81 1 23.48 ? O PHE 204 H 1 +ATOM 1934 C CB PHE 215 . A B 2 7.165 16.138 33.443 1 22.72 ? CB PHE 204 H 1 +ATOM 1935 C CG PHE 215 . A B 2 7.284 15.164 34.619 1 25.62 ? CG PHE 204 H 1 +ATOM 1936 C CD1 PHE 215 . A B 2 6.52 15.368 35.777 1 23.29 ? CD1 PHE 204 H 1 +ATOM 1937 C CD2 PHE 215 . A B 2 8.142 14.063 34.536 1 25.29 ? CD2 PHE 204 H 1 +ATOM 1938 C CE1 PHE 215 . A B 2 6.614 14.471 36.847 1 23 ? CE1 PHE 204 H 1 +ATOM 1939 C CE2 PHE 215 . A B 2 8.234 13.163 35.604 1 24.33 ? CE2 PHE 204 H 1 +ATOM 1940 C CZ PHE 215 . A B 2 7.469 13.367 36.759 1 24.35 ? CZ PHE 204 H 1 +ATOM 1941 N N ASN 216 . B B 2 6.097 16.652 30.614 1 23.03 ? N ASN 204 H 1 +ATOM 1942 C CA ASN 216 . B B 2 6.076 17.36 29.351 1 21.32 ? CA ASN 204 H 1 +ATOM 1943 C C ASN 216 . B B 2 5.338 16.665 28.204 1 22.13 ? C ASN 204 H 1 +ATOM 1944 O O ASN 216 . B B 2 5.375 17.223 27.06 1 22.1 ? O ASN 204 H 1 +ATOM 1945 C CB ASN 216 . B B 2 7.491 17.797 28.97 1 21.08 ? CB ASN 204 H 1 +ATOM 1946 C CG ASN 216 . B B 2 8.277 16.566 28.609 1 20.75 ? CG ASN 204 H 1 +ATOM 1947 O OD1 ASN 216 . B B 2 9.499 16.644 28.401 1 22.61 ? OD1 ASN 204 H 1 +ATOM 1948 N ND2 ASN 216 . B B 2 7.463 15.53 28.784 1 23.38 ? ND2 ASN 204 H 1 +ATOM 1949 N N ASN 217 . . B 2 4.537 15.652 28.535 1 21.22 ? N ASN 205 H 1 +ATOM 1950 C CA ASN 217 . . B 2 3.682 14.926 27.572 1 20.32 ? CA ASN 205 H 1 +ATOM 1951 C C ASN 217 . . B 2 4.355 14.269 26.374 1 16.83 ? C ASN 205 H 1 +ATOM 1952 O O ASN 217 . . B 2 3.744 13.973 25.318 1 18.39 ? O ASN 205 H 1 +ATOM 1953 C CB ASN 217 . . B 2 2.664 16.007 27.098 1 27.79 ? CB ASN 205 H 1 +ATOM 1954 C CG ASN 217 . . B 2 1.282 15.765 27.715 1 33.55 ? CG ASN 205 H 1 +ATOM 1955 O OD1 ASN 217 . . B 2 0.872 16.232 28.804 1 34.46 ? OD1 ASN 205 H 1 +ATOM 1956 N ND2 ASN 217 . . B 2 0.442 15.178 26.806 1 34.84 ? ND2 ASN 205 H 1 +ATOM 1957 N N ARG 218 . . B 2 5.65 14.264 26.402 1 14.79 ? N ARG 206 H 1 +ATOM 1958 C CA ARG 218 . . B 2 6.551 13.718 25.438 1 14.45 ? CA ARG 206 H 1 +ATOM 1959 C C ARG 218 . . B 2 6.826 12.204 25.568 1 15.3 ? C ARG 206 H 1 +ATOM 1960 O O ARG 218 . . B 2 6.987 11.777 26.725 1 16.7 ? O ARG 206 H 1 +ATOM 1961 C CB ARG 218 . . B 2 7.868 14.473 25.554 1 15.03 ? CB ARG 206 H 1 +ATOM 1962 C CG ARG 218 . . B 2 8.027 15.693 24.629 1 18.07 ? CG ARG 206 H 1 +ATOM 1963 C CD ARG 218 . . B 2 9.291 16.394 24.894 1 20.49 ? CD ARG 206 H 1 +ATOM 1964 N NE ARG 218 . . B 2 9.192 17.774 24.485 1 24.26 ? NE ARG 206 H 1 +ATOM 1965 C CZ ARG 218 . . B 2 9.671 18.337 23.399 1 26.28 ? CZ ARG 206 H 1 +ATOM 1966 N NH1 ARG 218 . . B 2 10.472 17.829 22.461 1 23.25 ? NH1 ARG 206 H 1 +ATOM 1967 N NH2 ARG 218 . . B 2 9.411 19.663 23.337 1 30.49 ? NH2 ARG 206 H 1 +ATOM 1968 N N TRP 219 . . B 2 7.175 11.537 24.478 1 15.74 ? N TRP 207 H 1 +ATOM 1969 C CA TRP 219 . . B 2 7.517 10.123 24.422 1 15.55 ? CA TRP 207 H 1 +ATOM 1970 C C TRP 219 . . B 2 9.012 9.871 24.502 1 13.45 ? C TRP 207 H 1 +ATOM 1971 O O TRP 219 . . B 2 9.707 10.498 23.73 1 13.28 ? O TRP 207 H 1 +ATOM 1972 C CB TRP 219 . . B 2 7 9.421 23.132 1 15.83 ? CB TRP 207 H 1 +ATOM 1973 C CG TRP 219 . . B 2 5.468 9.311 23.18 1 18.81 ? CG TRP 207 H 1 +ATOM 1974 C CD1 TRP 219 . . B 2 4.588 10.189 22.686 1 17.97 ? CD1 TRP 207 H 1 +ATOM 1975 C CD2 TRP 219 . . B 2 4.726 8.249 23.784 1 17.79 ? CD2 TRP 207 H 1 +ATOM 1976 N NE1 TRP 219 . . B 2 3.28 9.706 23.003 1 19.15 ? NE1 TRP 207 H 1 +ATOM 1977 C CE2 TRP 219 . . B 2 3.381 8.573 23.652 1 17.79 ? CE2 TRP 207 H 1 +ATOM 1978 C CE3 TRP 219 . . B 2 5.074 7.057 24.435 1 15.42 ? CE3 TRP 207 H 1 +ATOM 1979 C CZ2 TRP 219 . . B 2 2.342 7.778 24.155 1 17.78 ? CZ2 TRP 207 H 1 +ATOM 1980 C CZ3 TRP 219 . . B 2 4.02 6.256 24.931 1 16.13 ? CZ3 TRP 207 H 1 +ATOM 1981 C CH2 TRP 219 . . B 2 2.718 6.603 24.799 1 17.37 ? CH2 TRP 207 H 1 +ATOM 1982 N N TYR 220 . . B 2 9.494 9.066 25.436 1 12.91 ? N TYR 208 H 1 +ATOM 1983 C CA TYR 220 . . B 2 10.915 8.777 25.578 1 13.06 ? CA TYR 208 H 1 +ATOM 1984 C C TYR 220 . . B 2 11.238 7.311 25.277 1 14.18 ? C TYR 208 H 1 +ATOM 1985 O O TYR 220 . . B 2 10.422 6.465 25.612 1 15.46 ? O TYR 208 H 1 +ATOM 1986 C CB TYR 220 . . B 2 11.263 9.138 27.031 1 16.41 ? CB TYR 208 H 1 +ATOM 1987 C CG TYR 220 . . B 2 11.351 10.639 27.314 1 17.15 ? CG TYR 208 H 1 +ATOM 1988 C CD1 TYR 220 . . B 2 12.474 11.366 26.904 1 16.27 ? CD1 TYR 208 H 1 +ATOM 1989 C CD2 TYR 220 . . B 2 10.313 11.282 27.998 1 17.14 ? CD2 TYR 208 H 1 +ATOM 1990 C CE1 TYR 220 . . B 2 12.56 12.737 27.177 1 20.65 ? CE1 TYR 208 H 1 +ATOM 1991 C CE2 TYR 220 . . B 2 10.398 12.652 28.27 1 22.69 ? CE2 TYR 208 H 1 +ATOM 1992 C CZ TYR 220 . . B 2 11.521 13.38 27.86 1 22.82 ? CZ TYR 208 H 1 +ATOM 1993 O OH TYR 220 . . B 2 11.601 14.71 28.129 1 24.72 ? OH TYR 208 H 1 +ATOM 1994 N N GLN 221 . . B 2 12.302 6.918 24.676 1 14.1 ? N GLN 209 H 1 +ATOM 1995 C CA GLN 221 . . B 2 12.644 5.499 24.545 1 16.45 ? CA GLN 209 H 1 +ATOM 1996 C C GLN 221 . . B 2 13.583 5.133 25.721 1 17.57 ? C GLN 209 H 1 +ATOM 1997 O O GLN 221 . . B 2 14.802 5.476 25.855 1 16.92 ? O GLN 209 H 1 +ATOM 1998 C CB GLN 221 . . B 2 13.405 5.352 23.212 1 15.24 ? CB GLN 209 H 1 +ATOM 1999 C CG GLN 221 . . B 2 13.808 3.862 23.087 1 11.27 ? CG GLN 209 H 1 +ATOM 2000 C CD GLN 221 . . B 2 14.348 3.479 21.777 1 10.66 ? CD GLN 209 H 1 +ATOM 2001 O OE1 GLN 221 . . B 2 14.495 4.406 20.935 1 10.32 ? OE1 GLN 209 H 1 +ATOM 2002 N NE2 GLN 221 . . B 2 14.866 2.248 21.612 1 10 ? NE2 GLN 209 H 1 +ATOM 2003 N N MET 222 . . B 2 13.014 4.345 26.611 1 18.43 ? N MET 210 H 1 +ATOM 2004 C CA MET 222 . . B 2 13.693 3.718 27.773 1 16.91 ? CA MET 210 H 1 +ATOM 2005 C C MET 222 . . B 2 14.461 2.451 27.488 1 17.33 ? C MET 210 H 1 +ATOM 2006 O O MET 222 . . B 2 15.695 2.263 27.773 1 18.93 ? O MET 210 H 1 +ATOM 2007 C CB MET 222 . . B 2 12.566 3.482 28.751 1 15.06 ? CB MET 210 H 1 +ATOM 2008 C CG MET 222 . . B 2 11.865 4.784 28.77 1 20.36 ? CG MET 210 H 1 +ATOM 2009 S SD MET 222 . . B 2 12.737 6.092 29.747 1 27.93 ? SD MET 210 H 1 +ATOM 2010 C CE MET 222 . . B 2 11.156 6.9 30.102 1 28.19 ? CE MET 210 H 1 +ATOM 2011 N N GLY 223 . . B 2 13.889 1.619 26.621 1 18.53 ? N GLY 211 H 1 +ATOM 2012 C CA GLY 223 . . B 2 14.431 0.26 26.303 1 16.51 ? CA GLY 211 H 1 +ATOM 2013 C C GLY 223 . . B 2 14.59 -0.135 24.87 1 16.87 ? C GLY 211 H 1 +ATOM 2014 O O GLY 223 . . B 2 13.966 0.411 23.932 1 17.94 ? O GLY 211 H 1 +ATOM 2015 N N ILE 224 . . B 2 15.517 -1.047 24.579 1 17.31 ? N ILE 212 H 1 +ATOM 2016 C CA ILE 224 . . B 2 15.628 -1.641 23.231 1 17.79 ? CA ILE 212 H 1 +ATOM 2017 C C ILE 224 . . B 2 15.241 -3.147 23.347 1 18.65 ? C ILE 212 H 1 +ATOM 2018 O O ILE 224 . . B 2 15.388 -3.65 24.474 1 19.83 ? O ILE 212 H 1 +ATOM 2019 C CB ILE 224 . . B 2 17.013 -1.473 22.584 1 13.84 ? CB ILE 212 H 1 +ATOM 2020 C CG1 ILE 224 . . B 2 17.473 -0.117 22.05 1 16.19 ? CG1 ILE 212 H 1 +ATOM 2021 C CG2 ILE 224 . . B 2 16.931 -2.497 21.406 1 15.36 ? CG2 ILE 212 H 1 +ATOM 2022 C CD1 ILE 224 . . B 2 19.011 0.133 21.863 1 14.84 ? CD1 ILE 212 H 1 +ATOM 2023 N N VAL 225 . . B 2 14.359 -3.756 22.577 1 19.44 ? N VAL 213 H 1 +ATOM 2024 C CA VAL 225 . . B 2 13.886 -5.158 22.642 1 19.3 ? CA VAL 213 H 1 +ATOM 2025 C C VAL 225 . . B 2 15.128 -6.093 22.499 1 18.63 ? C VAL 213 H 1 +ATOM 2026 O O VAL 225 . . B 2 15.804 -6.009 21.486 1 17.96 ? O VAL 213 H 1 +ATOM 2027 C CB VAL 225 . . B 2 12.72 -5.443 21.719 1 20.1 ? CB VAL 213 H 1 +ATOM 2028 C CG1 VAL 225 . . B 2 12.053 -6.848 21.91 1 21.52 ? CG1 VAL 213 H 1 +ATOM 2029 C CG2 VAL 225 . . B 2 11.578 -4.449 21.741 1 18.61 ? CG2 VAL 213 H 1 +ATOM 2030 N N SER 226 . . B 2 15.51 -6.792 23.593 1 18.48 ? N SER 214 H 1 +ATOM 2031 C CA SER 226 . . B 2 16.729 -7.578 23.59 1 18.84 ? CA SER 214 H 1 +ATOM 2032 C C SER 226 . . B 2 16.553 -9.102 23.6 1 18.29 ? C SER 214 H 1 +ATOM 2033 O O SER 226 . . B 2 16.797 -9.736 22.525 1 19.11 ? O SER 214 H 1 +ATOM 2034 C CB SER 226 . . B 2 17.752 -7.217 24.688 1 18.27 ? CB SER 214 H 1 +ATOM 2035 O OG SER 226 . . B 2 19.071 -7.479 24.125 1 17.79 ? OG SER 214 H 1 +ATOM 2036 N N TRP 227 . . B 2 16.097 -9.75 24.644 1 17.21 ? N TRP 215 H 1 +ATOM 2037 C CA TRP 227 . . B 2 16.052 -11.229 24.505 1 14.46 ? CA TRP 215 H 1 +ATOM 2038 C C TRP 227 . . B 2 15.035 -11.717 25.46 1 16.18 ? C TRP 215 H 1 +ATOM 2039 O O TRP 227 . . B 2 14.537 -10.872 26.221 1 15.78 ? O TRP 215 H 1 +ATOM 2040 C CB TRP 227 . . B 2 17.427 -11.772 24.834 1 17.73 ? CB TRP 215 H 1 +ATOM 2041 C CG TRP 227 . . B 2 18.111 -11.249 26.095 1 17.91 ? CG TRP 215 H 1 +ATOM 2042 C CD1 TRP 227 . . B 2 18.848 -10.135 26.217 1 16.32 ? CD1 TRP 215 H 1 +ATOM 2043 C CD2 TRP 227 . . B 2 18.088 -11.897 27.354 1 24.06 ? CD2 TRP 215 H 1 +ATOM 2044 N NE1 TRP 227 . . B 2 19.316 -10.087 27.57 1 15.75 ? NE1 TRP 215 H 1 +ATOM 2045 C CE2 TRP 227 . . B 2 18.867 -11.137 28.216 1 21.06 ? CE2 TRP 215 H 1 +ATOM 2046 C CE3 TRP 227 . . B 2 17.483 -13.066 27.825 1 24.08 ? CE3 TRP 215 H 1 +ATOM 2047 C CZ2 TRP 227 . . B 2 19.102 -11.501 29.547 1 22.35 ? CZ2 TRP 215 H 1 +ATOM 2048 C CZ3 TRP 227 . . B 2 17.711 -13.414 29.17 1 24.59 ? CZ3 TRP 215 H 1 +ATOM 2049 C CH2 TRP 227 . . B 2 18.486 -12.669 29.989 1 25.12 ? CH2 TRP 215 H 1 +ATOM 2050 N N GLY 228 . . B 2 14.633 -12.983 25.288 1 16.01 ? N GLY 216 H 1 +ATOM 2051 C CA GLY 228 . . B 2 13.639 -13.478 26.275 1 19.07 ? CA GLY 216 H 1 +ATOM 2052 C C GLY 228 . . B 2 13.641 -15.016 26.107 1 20.74 ? C GLY 216 H 1 +ATOM 2053 O O GLY 228 . . B 2 14.209 -15.42 25.088 1 20.96 ? O GLY 216 H 1 +ATOM 2054 N N GLU 229 . . B 2 13.279 -15.777 27.34 1 22.58 ? N GLU 217 H 1 +ATOM 2055 C CA GLU 229 . . B 2 13.025 -17.231 27.231 1 24.33 ? CA GLU 217 H 1 +ATOM 2056 C C GLU 229 . . B 2 11.665 -17.487 26.604 1 24.77 ? C GLU 217 H 1 +ATOM 2057 O O GLU 229 . . B 2 10.641 -17.464 27.303 1 26.43 ? O GLU 217 H 1 +ATOM 2058 C CB GLU 229 . . B 2 13.003 -17.963 28.613 1 29.82 ? CB GLU 217 H 1 +ATOM 2059 C CG GLU 229 . . B 2 13.747 -17.262 29.769 1 30.18 ? CG GLU 217 H 1 +ATOM 2060 C CD GLU 229 . . B 2 15.247 -17.585 29.821 1 30.75 ? CD GLU 217 H 1 +ATOM 2061 O OE1 GLU 229 . . B 2 15.949 -17.514 28.748 1 33.27 ? OE1 GLU 217 H 1 +ATOM 2062 O OE2 GLU 229 . . B 2 15.809 -17.924 30.941 1 29.91 ? OE2 GLU 217 H 1 +ATOM 2063 N N GLY 230 . . B 2 11.619 -17.793 25.372 1 23.7 ? N GLY 219 H 1 +ATOM 2064 C CA GLY 230 . . B 2 10.321 -17.956 24.71 1 27.14 ? CA GLY 219 H 1 +ATOM 2065 C C GLY 230 . . B 2 9.467 -16.687 24.911 1 28.17 ? C GLY 219 H 1 +ATOM 2066 O O GLY 230 . . B 2 9.591 -16.033 25.979 1 28.53 ? O GLY 219 H 1 +ATOM 2067 N N CYS 231 . . B 2 8.546 -16.44 24 1 28.63 ? N CYS 220 H 1 +ATOM 2068 C CA CYS 231 . . B 2 7.584 -15.307 24.072 1 28.45 ? CA CYS 220 H 1 +ATOM 2069 C C CYS 231 . . B 2 6.337 -15.578 24.907 1 30.29 ? C CYS 220 H 1 +ATOM 2070 O O CYS 231 . . B 2 5.534 -16.539 24.784 1 30.24 ? O CYS 220 H 1 +ATOM 2071 C CB CYS 231 . . B 2 7.131 -14.959 22.694 1 25.18 ? CB CYS 220 H 1 +ATOM 2072 S SG CYS 231 . . B 2 8.491 -15.07 21.492 1 25.71 ? SG CYS 220 H 1 +ATOM 2073 N N ASP 232 . . B 2 6.008 -14.646 25.779 1 29.88 ? N ASP 221 H 1 +ATOM 2074 C CA ASP 232 . . B 2 4.809 -14.704 26.618 1 32.03 ? CA ASP 221 H 1 +ATOM 2075 C C ASP 232 . . B 2 4.671 -16.042 27.372 1 32.79 ? C ASP 221 H 1 +ATOM 2076 O O ASP 232 . . B 2 3.598 -16.568 27.809 1 33.33 ? O ASP 221 H 1 +ATOM 2077 C CB ASP 232 . . B 2 3.618 -14.261 25.73 1 32.47 ? CB ASP 221 H 1 +ATOM 2078 C CG ASP 232 . . B 2 2.376 -13.946 26.561 1 32.53 ? CG ASP 221 H 1 +ATOM 2079 O OD1 ASP 232 . . B 2 2.511 -13.277 27.617 1 32.14 ? OD1 ASP 221 H 1 +ATOM 2080 O OD2 ASP 232 . . B 2 1.257 -14.43 26.281 1 33.39 ? OD2 ASP 221 H 1 +ATOM 2081 N N ARG 233 . A B 2 5.822 -16.547 27.822 1 32.57 ? N ARG 221 H 1 +ATOM 2082 C CA ARG 233 . A B 2 5.726 -17.747 28.689 1 33.5 ? CA ARG 221 H 1 +ATOM 2083 C C ARG 233 . A B 2 5.422 -17.232 30.092 1 34.05 ? C ARG 221 H 1 +ATOM 2084 O O ARG 233 . A B 2 6.016 -16.306 30.714 1 34.66 ? O ARG 221 H 1 +ATOM 2085 C CB ARG 233 . A B 2 6.95 -18.624 28.745 1 33.09 ? CB ARG 221 H 1 +ATOM 2086 C CG ARG 233 . A B 2 7.694 -19.024 27.502 1 34.3 ? CG ARG 221 H 1 +ATOM 2087 C CD ARG 233 . A B 2 7.512 -20.473 27.152 1 36.78 ? CD ARG 221 H 1 +ATOM 2088 N NE ARG 233 . A B 2 8.404 -20.762 26.04 1 39.17 ? NE ARG 221 H 1 +ATOM 2089 C CZ ARG 233 . A B 2 9.611 -21.288 26.248 1 40.21 ? CZ ARG 221 H 1 +ATOM 2090 N NH1 ARG 233 . A B 2 9.786 -21.886 27.436 1 41.02 ? NH1 ARG 221 H 1 +ATOM 2091 N NH2 ARG 233 . A B 2 10.471 -21.431 25.24 1 39.85 ? NH2 ARG 221 H 1 +ATOM 2092 N N ASP 234 . . B 2 4.495 -17.911 30.728 1 34.36 ? N ASP 222 H 1 +ATOM 2093 C CA ASP 234 . . B 2 4.197 -17.642 32.139 1 35.33 ? CA ASP 222 H 1 +ATOM 2094 C C ASP 234 . . B 2 5.475 -17.669 32.998 1 34.75 ? C ASP 222 H 1 +ATOM 2095 O O ASP 234 . . B 2 6.309 -18.575 32.879 1 33.96 ? O ASP 222 H 1 +ATOM 2096 C CB ASP 234 . . B 2 3.267 -18.81 32.518 1 40.43 ? CB ASP 222 H 1 +ATOM 2097 C CG ASP 234 . . B 2 2.017 -18.153 33.091 1 45.49 ? CG ASP 222 H 1 +ATOM 2098 O OD1 ASP 234 . . B 2 2.01 -16.887 32.994 1 49.44 ? OD1 ASP 222 H 1 +ATOM 2099 O OD2 ASP 234 . . B 2 1.243 -18.922 33.676 1 48.08 ? OD2 ASP 222 H 1 +ATOM 2100 N N GLY 235 . . B 2 5.686 -16.681 33.841 1 34.41 ? N GLY 223 H 1 +ATOM 2101 C CA GLY 235 . . B 2 6.812 -16.603 34.768 1 33.45 ? CA GLY 223 H 1 +ATOM 2102 C C GLY 235 . . B 2 8.135 -16.202 34.148 1 32.57 ? C GLY 223 H 1 +ATOM 2103 O O GLY 235 . . B 2 9.193 -16.205 34.81 1 32.58 ? O GLY 223 H 1 +ATOM 2104 N N LYS 236 . . B 2 8.078 -15.894 32.869 1 31.8 ? N LYS 224 H 1 +ATOM 2105 C CA LYS 236 . . B 2 9.299 -15.366 32.202 1 31.16 ? CA LYS 224 H 1 +ATOM 2106 C C LYS 236 . . B 2 9.007 -13.914 31.798 1 31.91 ? C LYS 224 H 1 +ATOM 2107 O O LYS 236 . . B 2 7.812 -13.516 31.743 1 33.82 ? O LYS 224 H 1 +ATOM 2108 C CB LYS 236 . . B 2 9.701 -16.379 31.158 1 31.4 ? CB LYS 224 H 1 +ATOM 2109 C CG LYS 236 . . B 2 10.295 -17.61 31.924 1 31.9 ? CG LYS 224 H 1 +ATOM 2110 C CD LYS 236 . . B 2 11.272 -18.372 31.051 1 32.72 ? CD LYS 224 H 1 +ATOM 2111 C CE LYS 236 . . B 2 12.38 -19.061 31.883 1 34.5 ? CE LYS 224 H 1 +ATOM 2112 N NZ LYS 236 . . B 2 11.763 -19.529 33.164 1 35.37 ? NZ LYS 224 H 1 +ATOM 2113 N N TYR 237 . . B 2 10.015 -13.053 31.623 1 30.58 ? N TYR 225 H 1 +ATOM 2114 C CA TYR 237 . . B 2 9.913 -11.657 31.231 1 27.31 ? CA TYR 225 H 1 +ATOM 2115 C C TYR 237 . . B 2 10.86 -11.262 30.114 1 25.46 ? C TYR 225 H 1 +ATOM 2116 O O TYR 237 . . B 2 11.875 -11.907 29.843 1 27.39 ? O TYR 225 H 1 +ATOM 2117 C CB TYR 237 . . B 2 10.139 -10.693 32.396 1 26.18 ? CB TYR 225 H 1 +ATOM 2118 C CG TYR 237 . . B 2 9.352 -11.128 33.624 1 25.02 ? CG TYR 225 H 1 +ATOM 2119 C CD1 TYR 237 . . B 2 9.865 -12.123 34.463 1 26.67 ? CD1 TYR 225 H 1 +ATOM 2120 C CD2 TYR 237 . . B 2 8.114 -10.544 33.893 1 21.63 ? CD2 TYR 225 H 1 +ATOM 2121 C CE1 TYR 237 . . B 2 9.136 -12.529 35.585 1 28.01 ? CE1 TYR 225 H 1 +ATOM 2122 C CE2 TYR 237 . . B 2 7.384 -10.948 35.014 1 26.33 ? CE2 TYR 225 H 1 +ATOM 2123 C CZ TYR 237 . . B 2 7.895 -11.939 35.861 1 29.88 ? CZ TYR 225 H 1 +ATOM 2124 O OH TYR 237 . . B 2 7.182 -12.324 36.952 1 31.16 ? OH TYR 225 H 1 +ATOM 2125 N N GLY 238 . . B 2 10.434 -10.27 29.315 1 22.73 ? N GLY 226 H 1 +ATOM 2126 C CA GLY 238 . . B 2 11.289 -9.795 28.219 1 15.43 ? CA GLY 226 H 1 +ATOM 2127 C C GLY 238 . . B 2 12.311 -8.95 28.897 1 12.68 ? C GLY 226 H 1 +ATOM 2128 O O GLY 238 . . B 2 12.117 -8.218 29.845 1 10.29 ? O GLY 226 H 1 +ATOM 2129 N N PHE 239 . . B 2 13.429 -8.989 28.202 1 15.02 ? N PHE 227 H 1 +ATOM 2130 C CA PHE 239 . . B 2 14.623 -8.238 28.535 1 15.95 ? CA PHE 227 H 1 +ATOM 2131 C C PHE 239 . . B 2 14.951 -7.206 27.431 1 16.07 ? C PHE 227 H 1 +ATOM 2132 O O PHE 239 . . B 2 14.791 -7.474 26.233 1 18.47 ? O PHE 227 H 1 +ATOM 2133 C CB PHE 239 . . B 2 15.804 -9.225 28.702 1 14.29 ? CB PHE 227 H 1 +ATOM 2134 C CG PHE 239 . . B 2 15.728 -9.821 30.103 1 16.18 ? CG PHE 227 H 1 +ATOM 2135 C CD1 PHE 239 . . B 2 14.935 -10.95 30.338 1 14.71 ? CD1 PHE 227 H 1 +ATOM 2136 C CD2 PHE 239 . . B 2 16.415 -9.211 31.155 1 14.29 ? CD2 PHE 227 H 1 +ATOM 2137 C CE1 PHE 239 . . B 2 14.836 -11.477 31.63 1 15.81 ? CE1 PHE 227 H 1 +ATOM 2138 C CE2 PHE 239 . . B 2 16.313 -9.736 32.448 1 16.61 ? CE2 PHE 227 H 1 +ATOM 2139 C CZ PHE 239 . . B 2 15.526 -10.869 32.685 1 12.65 ? CZ PHE 227 H 1 +ATOM 2140 N N TYR 240 . . B 2 15.432 -6.038 27.869 1 17.89 ? N TYR 228 H 1 +ATOM 2141 C CA TYR 240 . . B 2 15.719 -4.893 26.966 1 16.11 ? CA TYR 228 H 1 +ATOM 2142 C C TYR 240 . . B 2 17.001 -4.159 27.305 1 14.77 ? C TYR 228 H 1 +ATOM 2143 O O TYR 240 . . B 2 17.21 -4.118 28.531 1 13.7 ? O TYR 228 H 1 +ATOM 2144 C CB TYR 240 . . B 2 14.613 -3.83 27.128 1 15.97 ? CB TYR 228 H 1 +ATOM 2145 C CG TYR 240 . . B 2 13.18 -4.346 26.912 1 15.85 ? CG TYR 228 H 1 +ATOM 2146 C CD1 TYR 240 . . B 2 12.502 -5.047 27.928 1 15.93 ? CD1 TYR 228 H 1 +ATOM 2147 C CD2 TYR 240 . . B 2 12.537 -4.097 25.697 1 12.5 ? CD2 TYR 228 H 1 +ATOM 2148 C CE1 TYR 240 . . B 2 11.196 -5.521 27.705 1 13.36 ? CE1 TYR 228 H 1 +ATOM 2149 C CE2 TYR 240 . . B 2 11.24 -4.574 25.474 1 14.36 ? CE2 TYR 228 H 1 +ATOM 2150 C CZ TYR 240 . . B 2 10.573 -5.291 26.471 1 14.23 ? CZ TYR 228 H 1 +ATOM 2151 O OH TYR 240 . . B 2 9.325 -5.777 26.226 1 20.57 ? OH TYR 228 H 1 +ATOM 2152 N N THR 241 . . B 2 17.789 -3.667 26.339 1 14.75 ? N THR 229 H 1 +ATOM 2153 C CA THR 241 . . B 2 18.935 -2.844 26.698 1 14.48 ? CA THR 229 H 1 +ATOM 2154 C C THR 241 . . B 2 18.465 -1.554 27.398 1 16.81 ? C THR 229 H 1 +ATOM 2155 O O THR 241 . . B 2 17.383 -1.021 27.018 1 15.95 ? O THR 229 H 1 +ATOM 2156 C CB THR 241 . . B 2 19.727 -2.48 25.429 1 15.69 ? CB THR 229 H 1 +ATOM 2157 O OG1 THR 241 . . B 2 19.478 -3.615 24.533 1 14.89 ? OG1 THR 229 H 1 +ATOM 2158 C CG2 THR 241 . . B 2 21.2 -2.17 25.787 1 14.04 ? CG2 THR 229 H 1 +ATOM 2159 N N HIS 242 . . B 2 19.233 -1.099 28.399 1 16.65 ? N HIS 230 H 1 +ATOM 2160 C CA HIS 242 . . B 2 18.936 0.054 29.253 1 16.06 ? CA HIS 230 H 1 +ATOM 2161 C C HIS 242 . . B 2 19.521 1.305 28.626 1 17.65 ? C HIS 230 H 1 +ATOM 2162 O O HIS 242 . . B 2 20.711 1.591 28.775 1 16.53 ? O HIS 230 H 1 +ATOM 2163 C CB HIS 242 . . B 2 19.523 -0.188 30.634 1 22.16 ? CB HIS 230 H 1 +ATOM 2164 C CG HIS 242 . . B 2 18.953 0.726 31.684 1 26.03 ? CG HIS 230 H 1 +ATOM 2165 N ND1 HIS 242 . . B 2 18.969 2.087 31.527 1 27.67 ? ND1 HIS 230 H 1 +ATOM 2166 C CD2 HIS 242 . . B 2 18.546 0.493 32.958 1 24.56 ? CD2 HIS 230 H 1 +ATOM 2167 C CE1 HIS 242 . . B 2 18.497 2.649 32.626 1 26.57 ? CE1 HIS 230 H 1 +ATOM 2168 N NE2 HIS 242 . . B 2 18.273 1.721 33.486 1 25.39 ? NE2 HIS 230 H 1 +ATOM 2169 N N VAL 243 . . B 2 18.65 1.893 27.813 1 17.33 ? N VAL 231 H 1 +ATOM 2170 C CA VAL 243 . . B 2 19.029 3.04 26.945 1 18.8 ? CA VAL 231 H 1 +ATOM 2171 C C VAL 243 . . B 2 19.647 4.126 27.81 1 18.36 ? C VAL 231 H 1 +ATOM 2172 O O VAL 243 . . B 2 20.7 4.59 27.365 1 17.1 ? O VAL 231 H 1 +ATOM 2173 C CB VAL 243 . . B 2 17.837 3.444 26.047 1 19.32 ? CB VAL 231 H 1 +ATOM 2174 C CG1 VAL 243 . . B 2 17.824 4.863 25.491 1 19.04 ? CG1 VAL 231 H 1 +ATOM 2175 C CG2 VAL 243 . . B 2 17.531 2.506 24.891 1 14.15 ? CG2 VAL 231 H 1 +ATOM 2176 N N PHE 244 . . B 2 19.105 4.507 28.935 1 19.95 ? N PHE 232 H 1 +ATOM 2177 C CA PHE 244 . . B 2 19.847 5.575 29.701 1 21.37 ? CA PHE 232 H 1 +ATOM 2178 C C PHE 244 . . B 2 21.263 5.178 30.099 1 23.57 ? C PHE 232 H 1 +ATOM 2179 O O PHE 244 . . B 2 22.251 5.951 30.041 1 24.4 ? O PHE 232 H 1 +ATOM 2180 C CB PHE 244 . . B 2 18.939 6.025 30.846 1 24.02 ? CB PHE 232 H 1 +ATOM 2181 C CG PHE 244 . . B 2 19.643 7.205 31.515 1 29.18 ? CG PHE 232 H 1 +ATOM 2182 C CD1 PHE 244 . . B 2 19.716 8.429 30.842 1 30.3 ? CD1 PHE 232 H 1 +ATOM 2183 C CD2 PHE 244 . . B 2 20.257 7.053 32.762 1 27.72 ? CD2 PHE 232 H 1 +ATOM 2184 C CE1 PHE 244 . . B 2 20.419 9.498 31.403 1 29.83 ? CE1 PHE 232 H 1 +ATOM 2185 C CE2 PHE 244 . . B 2 20.967 8.12 33.322 1 31.76 ? CE2 PHE 232 H 1 +ATOM 2186 C CZ PHE 244 . . B 2 21.052 9.342 32.64 1 28.79 ? CZ PHE 232 H 1 +ATOM 2187 N N ARG 245 . . B 2 21.521 3.99 30.632 1 23.01 ? N ARG 233 H 1 +ATOM 2188 C CA ARG 245 . . B 2 22.817 3.552 31.105 1 23.34 ? CA ARG 233 H 1 +ATOM 2189 C C ARG 245 . . B 2 23.805 3.692 29.957 1 24.9 ? C ARG 233 H 1 +ATOM 2190 O O ARG 245 . . B 2 25.036 3.621 30.15 1 25.34 ? O ARG 233 H 1 +ATOM 2191 C CB ARG 245 . . B 2 22.87 2.105 31.535 1 21.17 ? CB ARG 233 H 1 +ATOM 2192 C CG ARG 245 . . B 2 21.903 1.762 32.647 1 25.4 ? CG ARG 233 H 1 +ATOM 2193 C CD ARG 245 . . B 2 22.548 1.795 33.995 1 27.84 ? CD ARG 233 H 1 +ATOM 2194 N NE ARG 245 . . B 2 23.865 1.194 34.021 1 32.89 ? NE ARG 233 H 1 +ATOM 2195 C CZ ARG 245 . . B 2 24.869 1.062 34.88 1 33.64 ? CZ ARG 233 H 1 +ATOM 2196 N NH1 ARG 245 . . B 2 24.896 1.666 36.075 1 34.63 ? NH1 ARG 233 H 1 +ATOM 2197 N NH2 ARG 245 . . B 2 25.993 0.381 34.568 1 34.33 ? NH2 ARG 233 H 1 +ATOM 2198 N N LEU 246 . . B 2 23.214 3.717 28.757 1 25.62 ? N LEU 234 H 1 +ATOM 2199 C CA LEU 246 . . B 2 24.134 3.759 27.583 1 26.58 ? CA LEU 234 H 1 +ATOM 2200 C C LEU 246 . . B 2 24.177 5.125 26.848 1 25.96 ? C LEU 234 H 1 +ATOM 2201 O O LEU 246 . . B 2 24.969 5.275 25.905 1 23.5 ? O LEU 234 H 1 +ATOM 2202 C CB LEU 246 . . B 2 23.816 2.576 26.654 1 23.12 ? CB LEU 234 H 1 +ATOM 2203 C CG LEU 246 . . B 2 23.92 1.113 27.019 1 25.03 ? CG LEU 234 H 1 +ATOM 2204 C CD1 LEU 246 . . B 2 24.453 0.382 25.755 1 23.35 ? CD1 LEU 234 H 1 +ATOM 2205 C CD2 LEU 246 . . B 2 24.835 0.931 28.195 1 23.32 ? CD2 LEU 234 H 1 +ATOM 2206 N N LYS 247 . . B 2 23.459 6.128 27.359 1 28.4 ? N LYS 235 H 1 +ATOM 2207 C CA LYS 247 . . B 2 23.349 7.434 26.683 1 28.83 ? CA LYS 235 H 1 +ATOM 2208 C C LYS 247 . . B 2 24.728 8.02 26.427 1 31.2 ? C LYS 235 H 1 +ATOM 2209 O O LYS 247 . . B 2 24.97 8.609 25.337 1 30.36 ? O LYS 235 H 1 +ATOM 2210 C CB LYS 247 . . B 2 22.555 8.476 27.45 1 28.67 ? CB LYS 235 H 1 +ATOM 2211 C CG LYS 247 . . B 2 21.785 9.484 26.549 1 29.34 ? CG LYS 235 H 1 +ATOM 2212 C CD LYS 247 . . B 2 21.176 10.569 27.377 1 32.54 ? CD LYS 235 H 1 +ATOM 2213 C CE LYS 247 . . B 2 20.116 11.494 26.804 1 35.19 ? CE LYS 235 H 1 +ATOM 2214 N NZ LYS 247 . . B 2 19.488 12.276 27.95 1 30.81 ? NZ LYS 235 H 1 +ATOM 2215 N N LYS 248 . . B 2 25.596 7.827 27.437 1 32.18 ? N LYS 236 H 1 +ATOM 2216 C CA LYS 248 . . B 2 26.932 8.501 27.249 1 34.29 ? CA LYS 236 H 1 +ATOM 2217 C C LYS 248 . . B 2 27.648 7.937 26.044 1 35.03 ? C LYS 236 H 1 +ATOM 2218 O O LYS 248 . . B 2 28.278 8.608 25.167 1 38.07 ? O LYS 236 H 1 +ATOM 2219 C CB LYS 248 . . B 2 27.731 8.481 28.518 1 39.66 ? CB LYS 236 H 1 +ATOM 2220 C CG LYS 248 . . B 2 27.519 9.53 29.59 1 45.69 ? CG LYS 236 H 1 +ATOM 2221 C CD LYS 248 . . B 2 26.259 9.639 30.424 1 49.39 ? CD LYS 236 H 1 +ATOM 2222 C CE LYS 248 . . B 2 26.209 8.687 31.607 1 50 ? CE LYS 236 H 1 +ATOM 2223 N NZ LYS 248 . . B 2 24.78 8.208 31.759 1 50 ? NZ LYS 236 H 1 +ATOM 2224 N N TRP 249 . . B 2 27.476 6.638 25.838 1 31.93 ? N TRP 237 H 1 +ATOM 2225 C CA TRP 249 . . B 2 28.131 6.006 24.689 1 28.4 ? CA TRP 237 H 1 +ATOM 2226 C C TRP 249 . . B 2 27.443 6.604 23.489 1 27.94 ? C TRP 237 H 1 +ATOM 2227 O O TRP 249 . . B 2 28.166 6.909 22.55 1 28.55 ? O TRP 237 H 1 +ATOM 2228 C CB TRP 249 . . B 2 27.93 4.488 24.701 1 24.8 ? CB TRP 237 H 1 +ATOM 2229 C CG TRP 249 . . B 2 28.36 3.893 23.357 1 19.26 ? CG TRP 237 H 1 +ATOM 2230 C CD1 TRP 249 . . B 2 29.614 3.715 22.93 1 16.06 ? CD1 TRP 237 H 1 +ATOM 2231 C CD2 TRP 249 . . B 2 27.482 3.448 22.328 1 21.37 ? CD2 TRP 237 H 1 +ATOM 2232 N NE1 TRP 249 . . B 2 29.54 3.151 21.621 1 15.84 ? NE1 TRP 237 H 1 +ATOM 2233 C CE2 TRP 249 . . B 2 28.283 3.001 21.284 1 17.61 ? CE2 TRP 237 H 1 +ATOM 2234 C CE3 TRP 249 . . B 2 26.088 3.385 22.189 1 18.98 ? CE3 TRP 237 H 1 +ATOM 2235 C CZ2 TRP 249 . . B 2 27.771 2.484 20.089 1 17.65 ? CZ2 TRP 237 H 1 +ATOM 2236 C CZ3 TRP 249 . . B 2 25.581 2.864 20.978 1 17.02 ? CZ3 TRP 237 H 1 +ATOM 2237 C CH2 TRP 249 . . B 2 26.384 2.434 19.979 1 14.5 ? CH2 TRP 237 H 1 +ATOM 2238 N N ILE 250 . . B 2 26.127 6.593 23.517 1 28.02 ? N ILE 238 H 1 +ATOM 2239 C CA ILE 250 . . B 2 25.351 7.164 22.389 1 28.7 ? CA ILE 238 H 1 +ATOM 2240 C C ILE 250 . . B 2 25.706 8.667 22.186 1 30.77 ? C ILE 238 H 1 +ATOM 2241 O O ILE 250 . . B 2 25.752 9.094 21.015 1 29.45 ? O ILE 238 H 1 +ATOM 2242 C CB ILE 250 . . B 2 23.816 7.073 22.691 1 27.85 ? CB ILE 238 H 1 +ATOM 2243 C CG1 ILE 250 . . B 2 23.362 5.566 22.799 1 21.65 ? CG1 ILE 238 H 1 +ATOM 2244 C CG2 ILE 250 . . B 2 22.927 7.934 21.749 1 21.45 ? CG2 ILE 238 H 1 +ATOM 2245 C CD1 ILE 250 . . B 2 21.861 5.557 23.236 1 20.79 ? CD1 ILE 238 H 1 +ATOM 2246 N N GLN 251 . . B 2 25.977 9.395 23.261 1 32.8 ? N GLN 239 H 1 +ATOM 2247 C CA GLN 251 . . B 2 26.305 10.843 23.17 1 36.35 ? CA GLN 239 H 1 +ATOM 2248 C C GLN 251 . . B 2 27.629 10.991 22.445 1 37.17 ? C GLN 239 H 1 +ATOM 2249 O O GLN 251 . . B 2 27.686 11.608 21.372 1 36.94 ? O GLN 239 H 1 +ATOM 2250 C CB GLN 251 . . B 2 26.245 11.654 24.455 1 39.07 ? CB GLN 239 H 1 +ATOM 2251 C CG GLN 251 . . B 2 25.055 12.602 24.42 1 46.65 ? CG GLN 239 H 1 +ATOM 2252 C CD GLN 251 . . B 2 23.779 12.227 25.151 1 50 ? CD GLN 239 H 1 +ATOM 2253 O OE1 GLN 251 . . B 2 22.741 11.704 24.645 1 50 ? OE1 GLN 239 H 1 +ATOM 2254 N NE2 GLN 251 . . B 2 23.876 12.579 26.469 1 50 ? NE2 GLN 239 H 1 +ATOM 2255 N N LYS 252 . . B 2 28.583 10.189 22.869 1 37.92 ? N LYS 240 H 1 +ATOM 2256 C CA LYS 252 . . B 2 29.905 10.15 22.258 1 38.86 ? CA LYS 240 H 1 +ATOM 2257 C C LYS 252 . . B 2 29.916 9.93 20.773 1 39.93 ? C LYS 240 H 1 +ATOM 2258 O O LYS 252 . . B 2 30.28 10.931 20.096 1 41.82 ? O LYS 240 H 1 +ATOM 2259 C CB LYS 252 . . B 2 30.765 9.126 23.014 1 40.91 ? CB LYS 240 H 1 +ATOM 2260 C CG LYS 252 . . B 2 31.664 8.326 22.065 1 42.35 ? CG LYS 240 H 1 +ATOM 2261 C CD LYS 252 . . B 2 33.103 8.456 22.567 1 45.79 ? CD LYS 240 H 1 +ATOM 2262 C CE LYS 252 . . B 2 33.049 8.447 24.092 1 48.05 ? CE LYS 240 H 1 +ATOM 2263 N NZ LYS 252 . . B 2 33.925 9.542 24.633 1 50 ? NZ LYS 240 H 1 +ATOM 2264 N N VAL 253 . . B 2 29.472 8.836 20.171 1 40.16 ? N VAL 241 H 1 +ATOM 2265 C CA VAL 253 . . B 2 29.577 8.647 18.722 1 40.16 ? CA VAL 241 H 1 +ATOM 2266 C C VAL 253 . . B 2 28.865 9.732 17.913 1 40.76 ? C VAL 241 H 1 +ATOM 2267 O O VAL 253 . . B 2 29.28 10.023 16.752 1 41.31 ? O VAL 241 H 1 +ATOM 2268 C CB VAL 253 . . B 2 29.138 7.277 18.184 1 39.52 ? CB VAL 241 H 1 +ATOM 2269 C CG1 VAL 253 . . B 2 29.195 6.153 19.186 1 39.19 ? CG1 VAL 241 H 1 +ATOM 2270 C CG2 VAL 253 . . B 2 27.782 7.385 17.493 1 39.67 ? CG2 VAL 241 H 1 +ATOM 2271 N N ILE 254 . . B 2 27.775 10.224 18.465 1 41.22 ? N ILE 242 H 1 +ATOM 2272 C CA ILE 254 . . B 2 27.028 11.258 17.697 1 42.14 ? CA ILE 242 H 1 +ATOM 2273 C C ILE 254 . . B 2 27.876 12.536 17.614 1 43.17 ? C ILE 242 H 1 +ATOM 2274 O O ILE 254 . . B 2 27.981 13.123 16.524 1 43.01 ? O ILE 242 H 1 +ATOM 2275 C CB ILE 254 . . B 2 25.588 11.535 18.211 1 40.05 ? CB ILE 242 H 1 +ATOM 2276 C CG1 ILE 254 . . B 2 24.588 10.411 17.92 1 37.8 ? CG1 ILE 242 H 1 +ATOM 2277 C CG2 ILE 254 . . B 2 25.062 12.847 17.552 1 40.72 ? CG2 ILE 242 H 1 +ATOM 2278 C CD1 ILE 254 . . B 2 23.342 10.453 18.858 1 38.95 ? CD1 ILE 242 H 1 +ATOM 2279 N N ASP 255 . . B 2 28.451 12.909 18.733 1 44.62 ? N ASP 243 H 1 +ATOM 2280 C CA ASP 255 . . B 2 29.319 14.115 18.859 1 46.12 ? CA ASP 243 H 1 +ATOM 2281 C C ASP 255 . . B 2 30.527 13.895 17.95 1 46.64 ? C ASP 243 H 1 +ATOM 2282 O O ASP 255 . . B 2 31.041 14.63 17.114 1 45.81 ? O ASP 243 H 1 +ATOM 2283 C CB ASP 255 . . B 2 29.644 14.348 20.316 1 47.41 ? CB ASP 243 H 1 +ATOM 2284 C CG ASP 255 . . B 2 31.032 14.56 20.855 1 50 ? CG ASP 243 H 1 +ATOM 2285 O OD1 ASP 255 . . B 2 31.916 15.371 20.482 1 50 ? OD1 ASP 243 H 1 +ATOM 2286 O OD2 ASP 255 . . B 2 31.244 13.984 21.971 1 50 ? OD2 ASP 243 H 1 +ATOM 2287 N N GLN 256 . . B 2 30.914 12.66 18.177 1 48.33 ? N GLN 244 H 1 +ATOM 2288 C CA GLN 256 . . B 2 32.102 12.024 17.6 1 49.25 ? CA GLN 244 H 1 +ATOM 2289 C C GLN 256 . . B 2 32.105 12.083 16.098 1 49.17 ? C GLN 244 H 1 +ATOM 2290 O O GLN 256 . . B 2 33.13 12.416 15.497 1 48.26 ? O GLN 244 H 1 +ATOM 2291 C CB GLN 256 . . B 2 32.268 10.657 18.296 1 50 ? CB GLN 244 H 1 +ATOM 2292 C CG GLN 256 . . B 2 33.444 10.859 19.302 1 50 ? CG GLN 244 H 1 +ATOM 2293 C CD GLN 256 . . B 2 34.623 11.263 18.4 1 50 ? CD GLN 244 H 1 +ATOM 2294 O OE1 GLN 256 . . B 2 35.353 12.252 18.641 1 50 ? OE1 GLN 244 H 1 +ATOM 2295 N NE2 GLN 256 . . B 2 34.708 10.482 17.281 1 50 ? NE2 GLN 244 H 1 +ATOM 2296 N N PHE 257 . . B 2 30.96 11.802 15.495 1 50 ? N PHE 245 H 1 +ATOM 2297 C CA PHE 257 . . B 2 31.005 11.865 14.01 1 50 ? CA PHE 245 H 1 +ATOM 2298 C C PHE 257 . . B 2 29.584 11.993 13.493 1 50 ? C PHE 245 H 1 +ATOM 2299 O O PHE 257 . . B 2 29.337 11.697 12.314 1 50 ? O PHE 245 H 1 +ATOM 2300 C CB PHE 257 . . B 2 31.812 10.709 13.428 1 50 ? CB PHE 245 H 1 +ATOM 2301 C CG PHE 257 . . B 2 31.852 9.483 14.328 1 50 ? CG PHE 245 H 1 +ATOM 2302 C CD1 PHE 257 . . B 2 30.687 8.744 14.55 1 50 ? CD1 PHE 245 H 1 +ATOM 2303 C CD2 PHE 257 . . B 2 33.056 9.103 14.926 1 50 ? CD2 PHE 245 H 1 +ATOM 2304 C CE1 PHE 257 . . B 2 30.723 7.624 15.385 1 50 ? CE1 PHE 245 H 1 +ATOM 2305 C CE2 PHE 257 . . B 2 33.093 7.985 15.764 1 50 ? CE2 PHE 245 H 1 +ATOM 2306 C CZ PHE 257 . . B 2 31.926 7.246 15.994 1 50 ? CZ PHE 245 H 1 +ATOM 2307 N N GLY 258 . . B 2 28.767 12.634 14.294 1 50 ? N GLY 246 H 1 +ATOM 2308 C CA GLY 258 . . B 2 27.37 12.897 14.125 1 50 ? CA GLY 246 H 1 +ATOM 2309 C C GLY 258 . . B 2 26.755 13.882 13.164 1 50 ? C GLY 246 H 1 +ATOM 2310 O O GLY 258 . . B 2 27.225 14.211 12.043 1 50 ? O GLY 246 H 1 +ATOM 2311 N N GLU 259 . . B 2 25.496 14.181 13.572 1 50 ? N GLU 247 H 1 +ATOM 2312 C CA GLU 259 . . B 2 24.741 15.202 12.799 1 50 ? CA GLU 247 H 1 +ATOM 2313 C C GLU 259 . . B 2 24.807 16.529 13.576 1 50 ? C GLU 247 H 1 +ATOM 2314 O O GLU 259 . . B 2 24.499 16.617 14.812 1 50 ? O GLU 247 H 1 +ATOM 2315 C CB GLU 259 . . B 2 23.383 14.724 12.327 1 50 ? CB GLU 247 H 1 +ATOM 2316 C CG GLU 259 . . B 2 23.263 14.266 10.852 1 50 ? CG GLU 247 H 1 +ATOM 2317 C CD GLU 259 . . B 2 22.83 15.225 9.764 1 50 ? CD GLU 247 H 1 +ATOM 2318 O OE1 GLU 259 . . B 2 21.662 15.719 9.766 1 50 ? OE1 GLU 247 H 1 +ATOM 2319 O OE2 GLU 259 . . B 2 23.554 15.466 8.784 1 50 ? OE2 GLU 247 H 1 +ATOM 2320 O OXT GLU 259 . . B 2 25.459 17.422 12.967 1 50 ? OXT GLU 247 H 1 +ATOM 2321 N N ASP 3 . . C 3 6.937 -12.664 0.898 1 46.03 ? N ASP 355 I 1 +ATOM 2322 C CA ASP 3 . . C 3 5.5 -12.354 1.214 1 46.08 ? CA ASP 355 I 1 +ATOM 2323 C C ASP 3 . . C 3 5.388 -10.828 1.134 1 45.32 ? C ASP 355 I 1 +ATOM 2324 O O ASP 3 . . C 3 4.426 -10.147 0.746 1 45.22 ? O ASP 355 I 1 +ATOM 2325 C CB ASP 3 . . C 3 5.209 -13.067 2.497 1 49.17 ? CB ASP 355 I 1 +ATOM 2326 C CG ASP 3 . . C 3 3.833 -12.802 3.067 1 50 ? CG ASP 355 I 1 +ATOM 2327 O OD1 ASP 3 . . C 3 3.08 -12.108 2.333 1 50 ? OD1 ASP 355 I 1 +ATOM 2328 O OD2 ASP 3 . . C 3 3.572 -13.293 4.191 1 50 ? OD2 ASP 355 I 1 +ATOM 2329 N N PHE 4 . . C 3 6.599 -10.297 1.133 1 43.98 ? N PHE 356 I 1 +ATOM 2330 C CA PHE 4 . . C 3 6.9 -8.891 1.042 1 42.82 ? CA PHE 356 I 1 +ATOM 2331 C C PHE 4 . . C 3 6.73 -8.38 -0.374 1 43.08 ? C PHE 356 I 1 +ATOM 2332 O O PHE 4 . . C 3 7.536 -8.688 -1.246 1 42.84 ? O PHE 356 I 1 +ATOM 2333 C CB PHE 4 . . C 3 8.326 -8.616 1.54 1 43.01 ? CB PHE 356 I 1 +ATOM 2334 C CG PHE 4 . . C 3 8.45 -8.56 3.041 1 40.92 ? CG PHE 356 I 1 +ATOM 2335 C CD1 PHE 4 . . C 3 8.741 -9.697 3.762 1 38.57 ? CD1 PHE 356 I 1 +ATOM 2336 C CD2 PHE 4 . . C 3 8.346 -7.314 3.667 1 41.29 ? CD2 PHE 356 I 1 +ATOM 2337 C CE1 PHE 4 . . C 3 8.775 -9.632 5.135 1 39.12 ? CE1 PHE 356 I 1 +ATOM 2338 C CE2 PHE 4 . . C 3 8.386 -7.208 5.05 1 40.95 ? CE2 PHE 356 I 1 +ATOM 2339 C CZ PHE 4 . . C 3 8.564 -8.413 5.762 1 42.19 ? CZ PHE 356 I 1 +ATOM 2340 N N GLU 5 . . C 3 5.756 -7.485 -0.505 1 43.55 ? N GLU 357 I 1 +ATOM 2341 C CA GLU 5 . . C 3 5.559 -6.823 -1.798 1 43.43 ? CA GLU 357 I 1 +ATOM 2342 C C GLU 5 . . C 3 6.891 -6.171 -2.156 1 44.52 ? C GLU 357 I 1 +ATOM 2343 O O GLU 5 . . C 3 7.757 -5.87 -1.309 1 45.78 ? O GLU 357 I 1 +ATOM 2344 C CB GLU 5 . . C 3 4.448 -5.811 -1.818 1 39.69 ? CB GLU 357 I 1 +ATOM 2345 C CG GLU 5 . . C 3 4.539 -4.914 -3.05 1 38.19 ? CG GLU 357 I 1 +ATOM 2346 C CD GLU 5 . . C 3 3.595 -3.747 -2.906 1 37.95 ? CD GLU 357 I 1 +ATOM 2347 O OE1 GLU 5 . . C 3 2.835 -3.531 -1.982 1 36.65 ? OE1 GLU 357 I 1 +ATOM 2348 O OE2 GLU 5 . . C 3 3.807 -2.964 -3.844 1 40.79 ? OE2 GLU 357 I 1 +ATOM 2349 N N GLU 6 . . C 3 7.066 -5.906 -3.417 1 45.31 ? N GLU 358 I 1 +ATOM 2350 C CA GLU 6 . . C 3 8.32 -5.437 -4.001 1 47.06 ? CA GLU 358 I 1 +ATOM 2351 C C GLU 6 . . C 3 8.676 -3.989 -3.661 1 48.09 ? C GLU 358 I 1 +ATOM 2352 O O GLU 6 . . C 3 7.808 -3.07 -3.705 1 48.18 ? O GLU 358 I 1 +ATOM 2353 C CB GLU 6 . . C 3 8.295 -5.599 -5.54 1 48.18 ? CB GLU 358 I 1 +ATOM 2354 C CG GLU 6 . . C 3 7.491 -6.703 -6.2 1 49.96 ? CG GLU 358 I 1 +ATOM 2355 C CD GLU 6 . . C 3 6.071 -7.079 -5.872 1 50 ? CD GLU 358 I 1 +ATOM 2356 O OE1 GLU 6 . . C 3 5.177 -6.335 -6.362 1 50 ? OE1 GLU 358 I 1 +ATOM 2357 O OE2 GLU 6 . . C 3 5.728 -8.111 -5.279 1 50 ? OE2 GLU 358 I 1 +ATOM 2358 N N ILE 7 . . C 3 9.994 -3.816 -3.53 1 47.35 ? N ILE 359 I 1 +ATOM 2359 C CA ILE 7 . . C 3 10.505 -2.469 -3.258 1 48.01 ? CA ILE 359 I 1 +ATOM 2360 C C ILE 7 . . C 3 11.181 -1.962 -4.531 1 49.38 ? C ILE 359 I 1 +ATOM 2361 O O ILE 7 . . C 3 11.693 -2.886 -5.185 1 50 ? O ILE 359 I 1 +ATOM 2362 C CB ILE 7 . . C 3 11.403 -2.474 -1.999 1 46.27 ? CB ILE 359 I 1 +ATOM 2363 C CG1 ILE 7 . . C 3 12.757 -1.791 -2.283 1 45.29 ? CG1 ILE 359 I 1 +ATOM 2364 C CG2 ILE 7 . . C 3 11.6 -3.934 -1.507 1 49.07 ? CG2 ILE 359 I 1 +ATOM 2365 C CD1 ILE 7 . . C 3 13.773 -2.006 -1.123 1 43.8 ? CD1 ILE 359 I 1 +ATOM 2366 N N PRO 8 . . C 3 11.151 -0.644 -4.721 1 49.75 ? N PRO 360 I 1 +ATOM 2367 C CA PRO 8 . . C 3 11.734 0.1 -5.809 1 49.25 ? CA PRO 360 I 1 +ATOM 2368 C C PRO 8 . . C 3 13.264 0.134 -5.851 1 48.77 ? C PRO 360 I 1 +ATOM 2369 O O PRO 8 . . C 3 14.01 0.653 -5.02 1 47.95 ? O PRO 360 I 1 +ATOM 2370 C CB PRO 8 . . C 3 11.297 1.564 -5.623 1 50 ? CB PRO 360 I 1 +ATOM 2371 C CG PRO 8 . . C 3 10.715 1.692 -4.239 1 50 ? CG PRO 360 I 1 +ATOM 2372 C CD PRO 8 . . C 3 10.515 0.288 -3.742 1 50 ? CD PRO 360 I 1 +ATOM 2373 N N GLU 9 . . C 3 13.7 -0.265 -7.019 1 49.1 ? N GLU 361 I 1 +ATOM 2374 C CA GLU 9 . . C 3 15.09 -0.45 -7.403 1 50 ? CA GLU 361 I 1 +ATOM 2375 C C GLU 9 . . C 3 15.904 0.791 -7.096 1 50 ? C GLU 361 I 1 +ATOM 2376 O O GLU 9 . . C 3 17.163 0.707 -7.069 1 50 ? O GLU 361 I 1 +ATOM 2377 N N GLU 10 . . C 3 15.168 1.897 -7.078 1 50 ? N GLU 362 I 1 +ATOM 2378 C CA GLU 10 . . C 3 15.865 3.19 -6.8 1 50 ? CA GLU 362 I 1 +ATOM 2379 C C GLU 10 . . C 3 16.553 2.903 -5.45 1 50 ? C GLU 362 I 1 +ATOM 2380 O O GLU 10 . . C 3 17.607 3.478 -5.187 1 49.76 ? O GLU 362 I 1 +ATOM 2381 C CB GLU 10 . . C 3 14.987 4.444 -6.725 1 50 ? CB GLU 362 I 1 +ATOM 2382 C CG GLU 10 . . C 3 13.745 4.485 -5.866 1 50 ? CG GLU 362 I 1 +ATOM 2383 C CD GLU 10 . . C 3 12.384 5.002 -6.141 1 50 ? CD GLU 362 I 1 +ATOM 2384 O OE1 GLU 10 . . C 3 11.477 4.524 -6.854 1 50 ? OE1 GLU 362 I 1 +ATOM 2385 O OE2 GLU 10 . . C 3 12.157 5.993 -5.369 1 50 ? OE2 GLU 362 I 1 +HETATM 2386 N N TYS 11 . . C 3 16.02 1.856 -4.818 1 49.27 ? N TYS 363 I 1 +HETATM 2387 C CA TYS 11 . . C 3 16.457 1.399 -3.517 1 49.34 ? CA TYS 363 I 1 +HETATM 2388 C CB TYS 11 . . C 3 15.181 1.357 -2.643 1 47.73 ? CB TYS 363 I 1 +HETATM 2389 C CG TYS 11 . . C 3 14.427 2.655 -2.553 1 45.87 ? CG TYS 363 I 1 +HETATM 2390 C CD1 TYS 11 . . C 3 15.114 3.863 -2.368 1 45.18 ? CD1 TYS 363 I 1 +HETATM 2391 C CD2 TYS 11 . . C 3 13.036 2.631 -2.645 1 44.82 ? CD2 TYS 363 I 1 +HETATM 2392 C CE1 TYS 11 . . C 3 14.418 5.069 -2.27 1 43.22 ? CE1 TYS 363 I 1 +HETATM 2393 C CE2 TYS 11 . . C 3 12.343 3.819 -2.535 1 44.9 ? CE2 TYS 363 I 1 +HETATM 2394 C CZ TYS 11 . . C 3 13.047 5.006 -2.336 1 43.88 ? CZ TYS 363 I 1 +HETATM 2395 O OH TYS 11 . . C 3 12.253 6.115 -2.214 1 46.8 ? OH TYS 363 I 1 +HETATM 2396 S S TYS 11 . . C 3 11.097 6.113 -0.985 1 47.79 ? S TYS 363 I 1 +HETATM 2397 O O1 TYS 11 . . C 3 10.482 4.831 -0.942 1 45.55 ? O1 TYS 363 I 1 +HETATM 2398 O O2 TYS 11 . . C 3 12.08 6.58 -0.02 1 47.82 ? O2 TYS 363 I 1 +HETATM 2399 O O3 TYS 11 . . C 3 10.112 7.138 -1.327 1 48.48 ? O3 TYS 363 I 1 +HETATM 2400 C C TYS 11 . . C 3 17.028 -0.009 -3.34 1 49.88 ? C TYS 363 I 1 +HETATM 2401 O O TYS 11 . . C 3 16.794 -0.545 -2.23 1 50 ? O TYS 363 I 1 +ATOM 2402 N N LEU 12 . . C 3 17.67 -0.607 -4.29 1 49.53 ? N LEU 364 I 1 +ATOM 2403 C CA LEU 12 . . C 3 18.245 -1.948 -4.191 1 49.95 ? CA LEU 364 I 1 +ATOM 2404 C C LEU 12 . . C 3 19.67 -1.856 -4.743 1 50 ? C LEU 364 I 1 +ATOM 2405 O O LEU 12 . . C 3 20.275 -0.77 -4.485 1 50 ? O LEU 364 I 1 +ATOM 2406 C CB LEU 12 . . C 3 17.277 -2.911 -4.848 1 48.41 ? CB LEU 364 I 1 +ATOM 2407 C CG LEU 12 . . C 3 16.111 -3.374 -3.978 1 48.9 ? CG LEU 364 I 1 +ATOM 2408 C CD1 LEU 12 . . C 3 15.114 -4.239 -4.741 1 48.85 ? CD1 LEU 364 I 1 +ATOM 2409 C CD2 LEU 12 . . C 3 16.64 -4.197 -2.805 1 47.88 ? CD2 LEU 364 I 1 +HETATM 2410 O O4 34H 1 . . D 4 13.094 -17.697 23.835 1 31.86 ? O4 34H 1 J 1 +HETATM 2411 C C9 34H 1 . . D 4 15.602 -20.359 24.51 1 29.85 ? C9 34H 1 J 1 +HETATM 2412 C C8 34H 1 . . D 4 15.995 -20.508 25.818 1 29.73 ? C8 34H 1 J 1 +HETATM 2413 C C7 34H 1 . . D 4 15.068 -20.723 26.755 1 29.79 ? C7 34H 1 J 1 +HETATM 2414 C C6 34H 1 . . D 4 13.742 -20.812 26.421 1 28.89 ? C6 34H 1 J 1 +HETATM 2415 C C5 34H 1 . . D 4 13.354 -20.706 25.121 1 29.23 ? C5 34H 1 J 1 +HETATM 2416 C C4 34H 1 . . D 4 14.269 -20.383 24.194 1 29.89 ? C4 34H 1 J 1 +HETATM 2417 O O3 34H 1 . . D 4 15.406 -20.917 28.112 1 30.51 ? O3 34H 1 J 1 +HETATM 2418 C C3 34H 1 . . D 4 13.791 -19.843 22.873 1 31.04 ? C3 34H 1 J 1 +HETATM 2419 C C2 34H 1 . . D 4 13.818 -18.307 22.736 1 32.06 ? C2 34H 1 J 1 +HETATM 2420 C C1 34H 1 . . D 4 15.236 -17.781 22.754 1 32.42 ? C1 34H 1 J 1 +HETATM 2421 O O2 34H 1 . . D 4 16.115 -18.127 21.955 1 33.11 ? O2 34H 1 J 1 +ATOM 2422 N N LEU 2 . . D 4 15.422 -16.873 23.701 1 33.67 ? N LEU 2 J 1 +ATOM 2423 C CA LEU 2 . . D 4 16.566 -16.038 24.045 1 34.16 ? CA LEU 2 J 1 +ATOM 2424 C C LEU 2 . . D 4 16.445 -14.947 23.015 1 33.75 ? C LEU 2 J 1 +ATOM 2425 O O LEU 2 . . D 4 15.451 -14.204 23.115 1 33.64 ? O LEU 2 J 1 +ATOM 2426 C CB LEU 2 . . D 4 17.767 -16.95 24.218 1 35.33 ? CB LEU 2 J 1 +ATOM 2427 C CG LEU 2 . . D 4 17.658 -17.686 25.547 1 33.72 ? CG LEU 2 J 1 +ATOM 2428 C CD1 LEU 2 . . D 4 18.588 -17.049 26.554 1 34.12 ? CD1 LEU 2 J 1 +ATOM 2429 C CD2 LEU 2 . . D 4 16.243 -17.585 26.122 1 32.53 ? CD2 LEU 2 J 1 +HETATM 2430 O O PRJ 3 . . D 4 15.522 -13.947 19.768 1 35.93 ? O PRJ 3 J 1 +HETATM 2431 N N PRJ 3 . . D 4 17.262 -14.761 21.976 1 34.05 ? N PRJ 3 J 1 +HETATM 2432 C C PRJ 3 . . D 4 16.007 -13.108 20.529 1 34.79 ? C PRJ 3 J 1 +HETATM 2433 C CA PRJ 3 . . D 4 17.151 -13.511 21.311 1 34.56 ? CA PRJ 3 J 1 +HETATM 2434 C CB PRJ 3 . . D 4 18.536 -13.275 20.659 1 34.43 ? CB PRJ 3 J 1 +HETATM 2435 C CG PRJ 3 . . D 4 19.539 -14.175 21.363 1 34.37 ? CG PRJ 3 J 1 +HETATM 2436 C C11 PRJ 3 . . D 4 20.841 -14.395 20.604 1 35 ? C11 PRJ 3 J 1 +HETATM 2437 C C12 PRJ 3 . . D 4 20.607 -15.131 19.215 1 35.19 ? C12 PRJ 3 J 1 +HETATM 2438 C C13 PRJ 3 . . D 4 19.73 -16.368 19.498 1 35.81 ? C13 PRJ 3 J 1 +HETATM 2439 C C14 PRJ 3 . . D 4 18.328 -16.047 20.146 1 35.43 ? C14 PRJ 3 J 1 +HETATM 2440 C CD PRJ 3 . . D 4 18.518 -15.334 21.587 1 34.9 ? CD PRJ 3 J 1 +HETATM 2441 O O2 PRJ 3 . . D 4 20.409 -17.461 20.107 1 36.25 ? O2 PRJ 3 J 1 +HETATM 2442 O O OAR 4 . . D 4 15.761 -11.052 17.937 1 33.76 ? O OAR 4 J 1 +HETATM 2443 N N1 OAR 4 . . D 4 15.461 -11.891 20.571 1 33.49 ? N1 OAR 4 J 1 +HETATM 2444 N NE OAR 4 . . D 4 11.498 -12.16 23.68 1 29.99 ? NE OAR 4 J 1 +HETATM 2445 N NH1 OAR 4 . . D 4 10.367 -10.548 25.008 1 29.07 ? NH1 OAR 4 J 1 +HETATM 2446 N NH2 OAR 4 . . D 4 10.157 -12.834 25.468 1 29.35 ? NH2 OAR 4 J 1 +HETATM 2447 C CA OAR 4 . . D 4 14.254 -11.607 19.907 1 33.28 ? CA OAR 4 J 1 +HETATM 2448 C CB OAR 4 . . D 4 13.209 -10.809 20.739 1 32 ? CB OAR 4 J 1 +HETATM 2449 C CG OAR 4 . . D 4 13.174 -11.783 21.908 1 30.27 ? CG OAR 4 J 1 +HETATM 2450 C CD OAR 4 . . D 4 12.218 -11.1 22.929 1 29.94 ? CD OAR 4 J 1 +HETATM 2451 C CZ OAR 4 . . D 4 10.674 -11.833 24.72 1 29.47 ? CZ OAR 4 J 1 +HETATM 2452 C C OAR 4 . . D 4 14.551 -10.698 18.713 1 33.28 ? C OAR 4 J 1 +HETATM 2453 NA NA NA . . . E 5 5.884 -13.758 30.449 1 28 ? NA NA 626 H 1 +HETATM 2454 O O HOH . . . F 6 -6.319 6.515 26.148 1 30.26 ? O HOH 471 L 1 +HETATM 2455 O O HOH . . . F 6 -6.164 13.032 13.311 0.56 32.48 ? O HOH 487 L 1 +HETATM 2456 O O HOH . . . F 6 -2.648 1.026 33.911 0.71 27.25 ? O HOH 493 L 1 +HETATM 2457 O O HOH . . . F 6 -1.991 12.315 22.956 0.99 23.2 ? O HOH 495 L 1 +HETATM 2458 O O HOH . . . F 6 -5.35 15.911 24.633 0.5 31.96 ? O HOH 499 L 1 +HETATM 2459 O O HOH . . . F 6 16.955 17.82 28.127 0.63 18.45 ? O HOH 507 L 1 +HETATM 2460 O O HOH . . . F 6 -4.997 10.644 15.082 0.98 28.89 ? O HOH 508 L 1 +HETATM 2461 O O HOH . . . F 6 -3.337 -0.227 21.992 0.76 42.58 ? O HOH 510 L 1 +HETATM 2462 O O HOH . . . F 6 -4.086 19.659 12.755 1 34.16 ? O HOH 517 L 1 +HETATM 2463 O O HOH . . . F 6 -9.113 11.636 21.499 0.84 34.05 ? O HOH 519 L 1 +HETATM 2464 O O HOH . . . F 6 -8.608 7.801 25.948 0.32 26.39 ? O HOH 520 L 1 +HETATM 2465 O O HOH . . . F 6 -9.958 4.797 27.659 0.63 28.38 ? O HOH 525 L 1 +HETATM 2466 O O HOH . . . F 6 -2.315 17.581 37.247 0.77 29.4 ? O HOH 528 L 1 +HETATM 2467 O O HOH . . . F 6 -7.749 10.252 17.715 0.72 43.15 ? O HOH 533 L 1 +HETATM 2468 O O HOH . . . F 6 21.419 20.633 20.468 0.73 37.51 ? O HOH 542 L 1 +HETATM 2469 O O HOH . . . F 6 14.075 15.311 28.475 0.92 35.35 ? O HOH 543 L 1 +HETATM 2470 O O HOH . . . F 6 16.893 16.12 13.849 0.83 25.94 ? O HOH 549 L 1 +HETATM 2471 O O HOH . . . F 6 13.674 19.446 13.528 0.54 37.74 ? O HOH 558 L 1 +HETATM 2472 O O HOH . . . F 6 -0.087 17.797 13.225 0.77 34.75 ? O HOH 563 L 1 +HETATM 2473 O O HOH . . . F 6 1.918 1.564 39.263 0.63 32.46 ? O HOH 565 L 1 +HETATM 2474 O O HOH . . . F 6 -7.937 7.415 19.645 0.8 34.16 ? O HOH 567 L 1 +HETATM 2475 O O HOH . . . F 6 12.524 22.794 15.565 0.51 23.96 ? O HOH 570 L 1 +HETATM 2476 O O HOH . . . F 6 17.459 21.267 18.332 0.32 10.21 ? O HOH 573 L 1 +HETATM 2477 O O HOH . . . F 6 -9.447 7.887 23.63 0.67 43.17 ? O HOH 575 L 1 +HETATM 2478 O O HOH . . . F 6 -6.62 8.619 33.467 0.63 30.62 ? O HOH 577 L 1 +HETATM 2479 O O HOH . . . F 6 13.664 24.877 18.003 0.42 21.06 ? O HOH 585 L 1 +HETATM 2480 O O HOH . . . G 6 12.284 -8.265 25.198 1 11.36 ? O HOH 450 H 1 +HETATM 2481 O O HOH . . . G 6 9.909 -3.968 16.686 1 21.92 ? O HOH 451 H 1 +HETATM 2482 O O HOH . . . G 6 16.766 3.715 30.123 1 19.4 ? O HOH 452 H 1 +HETATM 2483 O O HOH . . . G 6 1.753 5.221 -0.486 0.9 31.38 ? O HOH 453 H 1 +HETATM 2484 O O HOH . . . G 6 21.919 -4.857 27.685 1 23.17 ? O HOH 454 H 1 +HETATM 2485 O O HOH . . . G 6 1.713 4.744 10.637 0.98 18.48 ? O HOH 455 H 1 +HETATM 2486 O O HOH . . . G 6 0.512 1.11 -0.67 0.9 33.34 ? O HOH 456 H 1 +HETATM 2487 O O HOH . . . G 6 1.704 10.696 14.069 1 24.26 ? O HOH 457 H 1 +HETATM 2488 O O HOH . . . G 6 8.679 2.013 9.669 1 20.89 ? O HOH 458 H 1 +HETATM 2489 O O HOH . . . G 6 6.016 3.467 20.41 1 23.48 ? O HOH 459 H 1 +HETATM 2490 O O HOH . . . G 6 21.898 0.545 3.233 1 29.94 ? O HOH 460 H 1 +HETATM 2491 O O HOH . . . G 6 13.156 -14.641 31.531 1 20.76 ? O HOH 461 H 1 +HETATM 2492 O O HOH . . . G 6 2.499 13.95 6.1 0.73 38.8 ? O HOH 463 H 1 +HETATM 2493 O O HOH . . . G 6 4.866 -7.14 35.912 1 24.1 ? O HOH 464 H 1 +HETATM 2494 O O HOH . . . G 6 10.093 14.707 31.365 1 27.06 ? O HOH 465 H 1 +HETATM 2495 O O HOH . . . G 6 9.441 -5.299 14.524 1 14.52 ? O HOH 466 H 1 +HETATM 2496 O O HOH . . . G 6 13.32 18.371 24.439 0.92 36.53 ? O HOH 467 H 1 +HETATM 2497 O O HOH . . . G 6 7.314 10.307 1.687 0.66 27.73 ? O HOH 468 H 1 +HETATM 2498 O O HOH . . . G 6 8.284 -8.123 27.668 1 21.24 ? O HOH 469 H 1 +HETATM 2499 O O HOH . . . G 6 30.647 -13.066 29.842 1 26.15 ? O HOH 470 H 1 +HETATM 2500 O O HOH . . . G 6 5.684 -4.737 37.971 0.99 31.27 ? O HOH 472 H 1 +HETATM 2501 O O HOH . . . G 6 -4.422 8.823 13.402 1 31.2 ? O HOH 473 H 1 +HETATM 2502 O O HOH . . . G 6 5.868 10.423 5.505 1 25.63 ? O HOH 474 H 1 +HETATM 2503 O O HOH . . . G 6 31.774 -10.511 23.519 0.64 21.43 ? O HOH 475 H 1 +HETATM 2504 O O HOH . . . G 6 6.739 15.522 12.244 0.96 27.13 ? O HOH 476 H 1 +HETATM 2505 O O HOH . . . G 6 -2.836 -3.462 35.369 0.82 32.57 ? O HOH 477 H 1 +HETATM 2506 O O HOH . . . G 6 27.491 0.322 30.735 0.83 25.69 ? O HOH 478 H 1 +HETATM 2507 O O HOH . . . G 6 8.114 5.464 11.282 0.99 32.17 ? O HOH 479 H 1 +HETATM 2508 O O HOH . . . G 6 20.71 -6.89 26.559 1 26.09 ? O HOH 480 H 1 +HETATM 2509 O O HOH . . . G 6 0.167 -13.57 32.916 0.7 34.44 ? O HOH 481 H 1 +HETATM 2510 O O HOH . . . G 6 3.184 -10.515 29.749 0.68 18.67 ? O HOH 482 H 1 +HETATM 2511 O O HOH . . . G 6 26.991 -0.499 38.119 1 42.67 ? O HOH 483 H 1 +HETATM 2512 O O HOH . . . G 6 10.805 -21.521 29.86 0.79 35.33 ? O HOH 484 H 1 +HETATM 2513 O O HOH . . . G 6 1.442 -0.455 -3.108 0.69 35.18 ? O HOH 485 H 1 +HETATM 2514 O O HOH . . . G 6 6.885 -21.743 31.219 1 44.44 ? O HOH 486 H 1 +HETATM 2515 O O HOH . . . G 6 6.099 1.387 -7.295 0.4 24.41 ? O HOH 488 H 1 +HETATM 2516 O O HOH . . . G 6 31.662 -0.755 11.667 1 49.87 ? O HOH 489 H 1 +HETATM 2517 O O HOH . . . G 6 3.365 3.834 13.436 1 23.94 ? O HOH 490 H 1 +HETATM 2518 O O HOH . . . G 6 1.128 2.558 12.764 1 23.32 ? O HOH 492 H 1 +HETATM 2519 O O HOH . . . G 6 3.941 6.143 11.415 1 23.79 ? O HOH 496 H 1 +HETATM 2520 O O HOH . . . G 6 3.976 7.326 -6.454 1 42.08 ? O HOH 497 H 1 +HETATM 2521 O O HOH . . . G 6 28.063 -5.407 11.952 0.89 40.1 ? O HOH 498 H 1 +HETATM 2522 O O HOH . . . G 6 1.924 4.988 8.266 1 30.33 ? O HOH 500 H 1 +HETATM 2523 O O HOH . . . G 6 21.675 13.603 30.375 0.69 32.97 ? O HOH 501 H 1 +HETATM 2524 O O HOH . . . G 6 5.8 19.712 25.234 0.76 24.83 ? O HOH 502 H 1 +HETATM 2525 O O HOH . . . G 6 5.328 -11.607 32.358 0.81 22.71 ? O HOH 503 H 1 +HETATM 2526 O O HOH . . . G 6 -5.529 -13.698 27.472 0.89 34.67 ? O HOH 504 H 1 +HETATM 2527 O O HOH . . . G 6 3.565 4.968 20.854 1 26.8 ? O HOH 505 H 1 +HETATM 2528 O O HOH . . . G 6 -0.235 -8.971 18.843 1 22.68 ? O HOH 506 H 1 +HETATM 2529 O O HOH . . . G 6 26.628 -5.056 35.121 0.7 32.79 ? O HOH 511 H 1 +HETATM 2530 O O HOH . . . G 6 12.758 -15.348 6.772 0.88 36.24 ? O HOH 512 H 1 +HETATM 2531 O O HOH . . . G 6 32.416 -7.47 21.231 0.85 45.66 ? O HOH 513 H 1 +HETATM 2532 O O HOH . . . G 6 -3.13 -7.655 12.077 0.99 35.62 ? O HOH 514 H 1 +HETATM 2533 O O HOH . . . G 6 31.455 1.655 17.416 0.55 19.05 ? O HOH 515 H 1 +HETATM 2534 O O HOH . . . G 6 17.379 9.245 3.739 0.67 27.97 ? O HOH 516 H 1 +HETATM 2535 O O HOH . . . G 6 6.059 23.964 25.373 0.68 31.46 ? O HOH 518 H 1 +HETATM 2536 O O HOH . . . G 6 5.729 -22.865 22.062 0.96 46.7 ? O HOH 521 H 1 +HETATM 2537 O O HOH . . . G 6 -2.54 -3.72 23.614 0.61 30.51 ? O HOH 522 H 1 +HETATM 2538 O O HOH . . . G 6 -4.273 -9.761 28.086 0.82 34.5 ? O HOH 523 H 1 +HETATM 2539 O O HOH . . . G 6 -0.623 16.945 24.322 0.63 20.96 ? O HOH 524 H 1 +HETATM 2540 O O HOH . . . G 6 26.266 -10.383 -0.73 0.71 44.98 ? O HOH 526 H 1 +HETATM 2541 O O HOH . . . G 6 4.385 -17.796 14.691 0.57 23.97 ? O HOH 527 H 1 +HETATM 2542 O O HOH . . . G 6 15.403 12.468 20.042 1 22.31 ? O HOH 529 H 1 +HETATM 2543 O O HOH . . . G 6 15.199 1.159 19.141 1 21.72 ? O HOH 530 H 1 +HETATM 2544 O O HOH . . . G 6 -6.078 -5.801 17.467 1 24.72 ? O HOH 531 H 1 +HETATM 2545 O O HOH . . . G 6 12.397 -12.76 42.731 0.96 29.93 ? O HOH 532 H 1 +HETATM 2546 O O HOH . . . G 6 26.032 4.328 33.532 0.92 32.7 ? O HOH 534 H 1 +HETATM 2547 O O HOH . . . G 6 0.62 -1.384 36.554 1 34.99 ? O HOH 535 H 1 +HETATM 2548 O O HOH . . . G 6 5.29 4.048 12.161 1 18.1 ? O HOH 536 H 1 +HETATM 2549 O O HOH . . . G 6 17.129 -15.067 13.755 0.64 14.77 ? O HOH 538 H 1 +HETATM 2550 O O HOH . . . G 6 -8.909 -5.467 32.814 0.49 28.12 ? O HOH 539 H 1 +HETATM 2551 O O HOH . . . G 6 6.444 -10.444 29.351 0.84 33.14 ? O HOH 540 H 1 +HETATM 2552 O O HOH . . . G 6 29.732 -8.424 30.697 0.63 24.42 ? O HOH 541 H 1 +HETATM 2553 O O HOH . . . G 6 31.165 -5.278 18.949 0.92 30.42 ? O HOH 544 H 1 +HETATM 2554 O O HOH . . . G 6 3.438 -19.151 25.563 0.98 40.47 ? O HOH 545 H 1 +HETATM 2555 O O HOH . . . G 6 29.909 0.205 29.478 0.7 21.68 ? O HOH 546 H 1 +HETATM 2556 O O HOH . . . G 6 -6.134 -0.788 16.864 0.56 35.28 ? O HOH 547 H 1 +HETATM 2557 O O HOH . . . G 6 32.673 -8.346 10.476 0.81 45.35 ? O HOH 550 H 1 +HETATM 2558 O O HOH . . . G 6 25.507 -15.684 22.227 0.48 24.45 ? O HOH 551 H 1 +HETATM 2559 O O HOH . . . G 6 38.67 -16.487 21.841 0.5 24.76 ? O HOH 552 H 1 +HETATM 2560 O O HOH . . . G 6 7.564 -24.697 30.518 0.59 16.55 ? O HOH 554 H 1 +HETATM 2561 O O HOH . . . G 6 32.446 12.292 22.918 0.71 39.43 ? O HOH 555 H 1 +HETATM 2562 O O HOH . . . G 6 -4.054 -16.653 28.782 0.8 36.59 ? O HOH 556 H 1 +HETATM 2563 O O HOH . . . G 6 7.698 19.416 8.916 0.61 46.44 ? O HOH 557 H 1 +HETATM 2564 O O HOH . . . G 6 28.822 -11.147 6.791 0.65 35.37 ? O HOH 559 H 1 +HETATM 2565 O O HOH . . . G 6 6.911 9.007 38.789 1 28.76 ? O HOH 560 H 1 +HETATM 2566 O O HOH . . . G 6 35.849 -0.182 26.659 0.5 45.44 ? O HOH 561 H 1 +HETATM 2567 O O HOH . . . G 6 32.121 3.619 19.911 0.63 33.81 ? O HOH 562 H 1 +HETATM 2568 O O HOH . . . G 6 -4.493 -12.429 14.434 0.52 30.59 ? O HOH 564 H 1 +HETATM 2569 O O HOH . . . G 6 23.116 -7.224 -0.728 0.46 26.5 ? O HOH 566 H 1 +HETATM 2570 O O HOH . . . G 6 14.542 17.213 8.817 1 50 ? O HOH 568 H 1 +HETATM 2571 O O HOH . . . G 6 11.955 -12.44 11.986 0.28 10 ? O HOH 569 H 1 +HETATM 2572 O O HOH . . . G 6 16.263 4.67 38.025 0.85 49.16 ? O HOH 571 H 1 +HETATM 2573 O O HOH . . . G 6 5.804 11.796 -9.476 0.47 27.24 ? O HOH 572 H 1 +HETATM 2574 O O HOH . . . G 6 -4.046 -5.298 7.915 0.57 16.21 ? O HOH 574 H 1 +HETATM 2575 O O HOH . . . G 6 4.057 0.435 -6.392 0.54 27.33 ? O HOH 576 H 1 +HETATM 2576 O O HOH . . . G 6 23.776 -13.886 8.042 0.73 23.97 ? O HOH 578 H 1 +HETATM 2577 O O HOH . . . G 6 3.096 16.64 10.583 0.77 31.46 ? O HOH 579 H 1 +HETATM 2578 O O HOH . . . G 6 11.151 -24.657 26.626 0.59 33.9 ? O HOH 580 H 1 +HETATM 2579 O O HOH . . . G 6 -0.651 -4.62 5.389 1 29.8 ? O HOH 581 H 1 +HETATM 2580 O O HOH . . . G 6 3.82 -8.347 15.754 0.83 19.18 ? O HOH 582 H 1 +HETATM 2581 O O HOH . . . G 6 7.765 -14.09 39.546 0.81 19.98 ? O HOH 583 H 1 +HETATM 2582 O O HOH . . . G 6 26.827 -9.539 36.184 0.93 25.39 ? O HOH 584 H 1 +HETATM 2583 O O HOH . . . G 6 17.395 4.758 35.882 0.55 41.14 ? O HOH 586 H 1 +HETATM 2584 O O HOH . . . G 6 22.438 8.318 37.171 0.76 27.54 ? O HOH 587 H 1 +HETATM 2585 O O HOH . . . G 6 32.503 1.413 28.168 0.74 29.71 ? O HOH 588 H 1 +HETATM 2586 O O HOH . . . G 6 32.134 3.698 25.857 0.4 21.84 ? O HOH 589 H 1 +HETATM 2587 O O HOH . . . G 6 33.237 -6.846 25.915 0.54 36.35 ? O HOH 590 H 1 +HETATM 2588 O O HOH . . . G 6 10.006 -15.934 5.536 0.53 25.56 ? O HOH 593 H 1 +HETATM 2589 O O HOH . . . G 6 10.153 18.626 13.967 0.91 48.56 ? O HOH 594 H 1 +HETATM 2590 O O HOH . . . G 6 -1.812 -7.317 27.016 0.68 17.73 ? O HOH 595 H 1 +HETATM 2591 O O HOH . . . G 6 2.873 -20.425 29.249 0.78 48.27 ? O HOH 596 H 1 +HETATM 2592 O O HOH . . . G 6 0.249 16.575 6.496 0.61 47.28 ? O HOH 597 H 1 +HETATM 2593 O O HOH . . . G 6 9.316 21.21 21.324 0.81 37.69 ? O HOH 598 H 1 +HETATM 2594 O O HOH . . . G 6 37.88 -3.651 29.107 0.79 43.58 ? O HOH 599 H 1 +HETATM 2595 O O HOH . . . G 6 4.897 10.785 -5.206 0.58 18.72 ? O HOH 600 H 1 +HETATM 2596 O O HOH . . . G 6 17.134 -12.421 43.321 0.77 27.95 ? O HOH 601 H 1 +HETATM 2597 O O HOH . . . G 6 10.806 12.214 -0.124 0.55 15.56 ? O HOH 602 H 1 +HETATM 2598 O O HOH . . . G 6 10.579 -18.673 19.863 0.46 29.73 ? O HOH 603 H 1 +HETATM 2599 O O HOH . . . G 6 -2.04 -14.935 21.232 0.47 11.62 ? O HOH 604 H 1 +HETATM 2600 O O HOH . . . G 6 -7.651 -13.726 32.38 0.62 50 ? O HOH 605 H 1 +HETATM 2601 O O HOH . . . G 6 36.556 -11.411 19.398 0.57 25.67 ? O HOH 606 H 1 +HETATM 2602 O O HOH . . . G 6 33.275 -9.066 18.618 0.48 35.32 ? O HOH 607 H 1 +HETATM 2603 O O HOH . . . G 6 26.776 -19.176 21.422 0.81 22.88 ? O HOH 608 H 1 +HETATM 2604 O O HOH . . . G 6 24.332 -22.366 16.867 0.55 38.8 ? O HOH 609 H 1 +HETATM 2605 O O HOH . . . G 6 22.089 -15.719 25.31 0.92 25.83 ? O HOH 610 H 1 +HETATM 2606 O O HOH . . . G 6 31.26 6.881 28.876 0.54 21.35 ? O HOH 611 H 1 +HETATM 2607 O O HOH . . . G 6 32.856 1.395 7.233 0.84 37.6 ? O HOH 613 H 1 +HETATM 2608 O O HOH . . . G 6 7.305 -4.547 1.044 0.91 25.89 ? O HOH 615 H 1 +HETATM 2609 O O HOH . . . G 6 33.356 4.743 22.129 0.88 47.31 ? O HOH 616 H 1 +HETATM 2610 O O HOH . . . G 6 2.457 -2.887 40.452 0.78 50 ? O HOH 617 H 1 +HETATM 2611 O O HOH . . . G 6 7.362 10.217 -8.227 0.37 10.77 ? O HOH 618 H 1 +HETATM 2612 O O HOH . . . G 6 32.765 1.527 14.066 0.62 26.76 ? O HOH 619 H 1 +HETATM 2613 O O HOH . . . G 6 36.238 -1.409 24.495 0.8 46.03 ? O HOH 620 H 1 +HETATM 2614 O O HOH . . . G 6 -2.161 -11.081 18.66 0.86 46.07 ? O HOH 621 H 1 +HETATM 2615 O O HOH . . . G 6 11.607 17.763 8.266 0.85 34.07 ? O HOH 622 H 1 +HETATM 2616 O O HOH . . . G 6 8.317 18.042 11.272 0.57 15.32 ? O HOH 623 H 1 +HETATM 2617 O O HOH . . . G 6 24.023 -20.492 19.471 0.89 45.14 ? O HOH 625 H 1 +HETATM 2618 O O HOH . . . H 6 3.379 -7.946 -4.821 0.82 35.94 ? O HOH 491 I 1 +HETATM 2619 O O HOH . . . H 6 3.046 -10.389 -6.708 0.89 32.75 ? O HOH 509 I 1 +HETATM 2620 O O HOH . . . H 6 10.26 -10.647 -4.845 0.26 15.61 ? O HOH 537 I 1 +HETATM 2621 O O HOH . . . H 6 12.095 6.92 -10.176 0.45 16.6 ? O HOH 548 I 1 +HETATM 2622 O O HOH . . . H 6 5.93 -12.299 5.008 1 43.15 ? O HOH 553 I 1 +HETATM 2623 O O HOH . . . H 6 13.359 8.466 -7.705 0.72 42.51 ? O HOH 614 I 1 +HETATM 2624 O O HOH . . . I 6 12.73 -14.481 21.246 0.88 29.16 ? O HOH 462 J 1 +HETATM 2625 O O HOH . . . I 6 16.9 -19.727 18.548 0.51 37.41 ? O HOH 494 J 1 +HETATM 2626 O O HOH . . . I 6 12.628 -16.596 19.561 0.56 31.6 ? O HOH 591 J 1 +HETATM 2627 O O HOH . . . I 6 13.554 -21.496 17.968 0.51 48.83 ? O HOH 592 J 1 +HETATM 2628 O O HOH . . . I 6 21.571 -21.131 21.762 0.46 36.84 ? O HOH 612 J 1 +HETATM 2629 O O HOH . . . I 6 21.076 -20.895 24.207 0.69 36.43 ? O HOH 624 J 1 +# +_database_PDB_caveat.id 1 +_database_PDB_caveat.text 'The C-N bond distance is too long between ASP 14L and GLY 14M in chain L.' +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 THR 1 1 1 THR THR L H n +A 1 2 PHE 2 1 1 PHE PHE L G n +A 1 3 GLY 3 1 1 GLY GLY L F n +A 1 4 SER 4 1 1 SER SER L E n +A 1 5 GLY 5 1 1 GLY GLY L D n +A 1 6 GLU 6 1 1 GLU GLU L C n +A 1 7 ALA 7 1 1 ALA ALA L B n +A 1 8 ASP 8 1 1 ASP ASP L A n +A 1 9 CYS 9 1 1 CYS CYS L . n +A 1 10 GLY 10 2 2 GLY GLY L . n +A 1 11 LEU 11 3 3 LEU LEU L . n +A 1 12 ARG 12 4 4 ARG ARG L . n +A 1 13 PRO 13 5 5 PRO PRO L . n +A 1 14 LEU 14 6 6 LEU LEU L . n +A 1 15 PHE 15 7 7 PHE PHE L . n +A 1 16 GLU 16 8 8 GLU GLU L . n +A 1 17 LYS 17 9 9 LYS LYS L . n +A 1 18 LYS 18 10 10 LYS LYS L . n +A 1 19 SER 19 11 11 SER SER L . n +A 1 20 LEU 20 12 12 LEU LEU L . n +A 1 21 GLU 21 13 13 GLU GLU L . n +A 1 22 ASP 22 14 14 ASP ASP L . n +A 1 23 LYS 23 14 14 LYS LYS L A n +A 1 24 THR 24 14 14 THR THR L B n +A 1 25 GLU 25 14 14 GLU GLU L C n +A 1 26 ARG 26 14 14 ARG ARG L D n +A 1 27 GLU 27 14 14 GLU GLU L E n +A 1 28 LEU 28 14 14 LEU LEU L F n +A 1 29 LEU 29 14 14 LEU LEU L G n +A 1 30 GLU 30 14 14 GLU GLU L H n +A 1 31 SER 31 14 14 SER SER L I n +A 1 32 TYR 32 14 14 TYR TYR L J n +A 1 33 ILE 33 14 14 ILE ILE L K n +A 1 34 ASP 34 14 14 ASP ASP L L n +A 1 35 GLY 35 14 14 GLY GLY L M n +A 1 36 ARG 36 15 15 ARG ARG L . n +B 2 1 ILE 1 16 16 ILE ILE H . n +B 2 2 VAL 2 17 17 VAL VAL H . n +B 2 3 GLU 3 18 18 GLU GLU H . n +B 2 4 GLY 4 19 19 GLY GLY H . n +B 2 5 SER 5 20 20 SER SER H . n +B 2 6 ASP 6 21 21 ASP ASP H . n +B 2 7 ALA 7 22 22 ALA ALA H . n +B 2 8 GLU 8 23 23 GLU GLU H . n +B 2 9 ILE 9 24 24 ILE ILE H . n +B 2 10 GLY 10 25 25 GLY GLY H . n +B 2 11 MET 11 26 26 MET MET H . n +B 2 12 SER 12 27 27 SER SER H . n +B 2 13 PRO 13 28 28 PRO PRO H . n +B 2 14 TRP 14 29 29 TRP TRP H . n +B 2 15 GLN 15 30 30 GLN GLN H . n +B 2 16 VAL 16 31 31 VAL VAL H . n +B 2 17 MET 17 32 32 MET MET H . n +B 2 18 LEU 18 33 33 LEU LEU H . n +B 2 19 PHE 19 34 34 PHE PHE H . n +B 2 20 ARG 20 35 35 ARG ARG H . n +B 2 21 LYS 21 36 36 LYS LYS H . n +B 2 22 SER 22 36 36 SER SER H A n +B 2 23 PRO 23 37 37 PRO PRO H . n +B 2 24 GLN 24 38 38 GLN GLN H . n +B 2 25 GLU 25 39 39 GLU GLU H . n +B 2 26 LEU 26 40 40 LEU LEU H . n +B 2 27 LEU 27 41 41 LEU LEU H . n +B 2 28 CYS 28 42 42 CYS CYS H . n +B 2 29 GLY 29 43 43 GLY GLY H . n +B 2 30 ALA 30 44 44 ALA ALA H . n +B 2 31 SER 31 45 45 SER SER H . n +B 2 32 LEU 32 46 46 LEU LEU H . n +B 2 33 ILE 33 47 47 ILE ILE H . n +B 2 34 SER 34 48 48 SER SER H . n +B 2 35 ASP 35 49 49 ASP ASP H . n +B 2 36 ARG 36 50 50 ARG ARG H . n +B 2 37 TRP 37 51 51 TRP TRP H . n +B 2 38 VAL 38 52 52 VAL VAL H . n +B 2 39 LEU 39 53 53 LEU LEU H . n +B 2 40 THR 40 54 54 THR THR H . n +B 2 41 ALA 41 55 55 ALA ALA H . n +B 2 42 ALA 42 56 56 ALA ALA H . n +B 2 43 HIS 43 57 57 HIS HIS H . n +B 2 44 CYS 44 58 58 CYS CYS H . n +B 2 45 LEU 45 59 59 LEU LEU H . n +B 2 46 LEU 46 60 60 LEU LEU H . n +B 2 47 TYR 47 60 60 TYR TYR H A n +B 2 48 PRO 48 60 60 PRO PRO H B n +B 2 49 PRO 49 60 60 PRO PRO H C n +B 2 50 TRP 50 60 60 TRP TRP H D n +B 2 51 ASP 51 60 60 ASP ASP H E n +B 2 52 LYS 52 60 60 LYS LYS H F n +B 2 53 ASN 53 60 60 ASN ASN H G n +B 2 54 PHE 54 60 60 PHE PHE H H n +B 2 55 THR 55 60 60 THR THR H I n +B 2 56 GLU 56 61 61 GLU GLU H . n +B 2 57 ASN 57 62 62 ASN ASN H . n +B 2 58 ASP 58 63 63 ASP ASP H . n +B 2 59 LEU 59 64 64 LEU LEU H . n +B 2 60 LEU 60 65 65 LEU LEU H . n +B 2 61 VAL 61 66 66 VAL VAL H . n +B 2 62 ARG 62 67 67 ARG ARG H . n +B 2 63 ILE 63 68 68 ILE ILE H . n +B 2 64 GLY 64 69 69 GLY GLY H . n +B 2 65 LYS 65 70 70 LYS LYS H . n +B 2 66 HIS 66 71 71 HIS HIS H . n +B 2 67 SER 67 72 72 SER SER H . n +B 2 68 ARG 68 73 73 ARG ARG H . n +B 2 69 THR 69 74 74 THR THR H . n +B 2 70 ARG 70 75 75 ARG ARG H . n +B 2 71 TYR 71 76 76 TYR TYR H . n +B 2 72 GLU 72 77 77 GLU GLU H . n +B 2 73 ARG 73 77 77 ARG ARG H A n +B 2 74 ASN 74 78 78 ASN ASN H . n +B 2 75 ILE 75 79 79 ILE ILE H . n +B 2 76 GLU 76 80 80 GLU GLU H . n +B 2 77 LYS 77 81 81 LYS LYS H . n +B 2 78 ILE 78 82 82 ILE ILE H . n +B 2 79 SER 79 83 83 SER SER H . n +B 2 80 MET 80 84 84 MET MET H . n +B 2 81 LEU 81 85 85 LEU LEU H . n +B 2 82 GLU 82 86 86 GLU GLU H . n +B 2 83 LYS 83 87 87 LYS LYS H . n +B 2 84 ILE 84 88 88 ILE ILE H . n +B 2 85 TYR 85 89 89 TYR TYR H . n +B 2 86 ILE 86 90 90 ILE ILE H . n +B 2 87 HIS 87 91 91 HIS HIS H . n +B 2 88 PRO 88 92 92 PRO PRO H . n +B 2 89 ARG 89 93 93 ARG ARG H . n +B 2 90 TYR 90 94 94 TYR TYR H . n +B 2 91 ASN 91 95 95 ASN ASN H . n +B 2 92 TRP 92 96 96 TRP TRP H . n +B 2 93 ARG 93 97 97 ARG ARG H . n +B 2 94 GLU 94 97 97 GLU GLU H A n +B 2 95 ASN 95 98 98 ASN ASN H . n +B 2 96 LEU 96 99 99 LEU LEU H . n +B 2 97 ASP 97 100 100 ASP ASP H . n +B 2 98 ARG 98 101 101 ARG ARG H . n +B 2 99 ASP 99 102 102 ASP ASP H . n +B 2 100 ILE 100 103 103 ILE ILE H . n +B 2 101 ALA 101 104 104 ALA ALA H . n +B 2 102 LEU 102 105 105 LEU LEU H . n +B 2 103 MET 103 106 106 MET MET H . n +B 2 104 LYS 104 107 107 LYS LYS H . n +B 2 105 LEU 105 108 108 LEU LEU H . n +B 2 106 LYS 106 109 109 LYS LYS H . n +B 2 107 LYS 107 110 110 LYS LYS H . n +B 2 108 PRO 108 111 111 PRO PRO H . n +B 2 109 VAL 109 112 112 VAL VAL H . n +B 2 110 ALA 110 113 113 ALA ALA H . n +B 2 111 PHE 111 114 114 PHE PHE H . n +B 2 112 SER 112 115 115 SER SER H . n +B 2 113 ASP 113 116 116 ASP ASP H . n +B 2 114 TYR 114 117 117 TYR TYR H . n +B 2 115 ILE 115 118 118 ILE ILE H . n +B 2 116 HIS 116 119 119 HIS HIS H . n +B 2 117 PRO 117 120 120 PRO PRO H . n +B 2 118 VAL 118 121 121 VAL VAL H . n +B 2 119 CYS 119 122 122 CYS CYS H . n +B 2 120 LEU 120 123 123 LEU LEU H . n +B 2 121 PRO 121 124 124 PRO PRO H . n +B 2 122 ASP 122 125 125 ASP ASP H . n +B 2 123 ARG 123 126 126 ARG ARG H . n +B 2 124 GLU 124 127 127 GLU GLU H . n +B 2 125 THR 125 128 128 THR THR H . n +B 2 126 ALA 126 129 129 ALA ALA H . n +B 2 127 ALA 127 129 129 ALA ALA H A n +B 2 128 SER 128 129 129 SER SER H B n +B 2 129 LEU 129 129 129 LEU LEU H C n +B 2 130 LEU 130 130 130 LEU LEU H . n +B 2 131 GLN 131 131 131 GLN GLN H . n +B 2 132 ALA 132 132 132 ALA ALA H . n +B 2 133 GLY 133 133 133 GLY GLY H . n +B 2 134 TYR 134 134 134 TYR TYR H . n +B 2 135 LYS 135 135 135 LYS LYS H . n +B 2 136 GLY 136 136 136 GLY GLY H . n +B 2 137 ARG 137 137 137 ARG ARG H . n +B 2 138 VAL 138 138 138 VAL VAL H . n +B 2 139 THR 139 139 139 THR THR H . n +B 2 140 GLY 140 140 140 GLY GLY H . n +B 2 141 TRP 141 141 141 TRP TRP H . n +B 2 142 GLY 142 142 142 GLY GLY H . n +B 2 143 ASN 143 143 143 ASN ASN H . n +B 2 144 LEU 144 144 144 LEU LEU H . n +B 2 145 LYS 145 145 145 LYS LYS H . n +B 2 146 GLU 146 146 146 GLU GLU H . n +B 2 147 THR 147 147 147 THR THR H . n +B 2 148 TRP 148 147 . . . H A n +B 2 149 THR 149 147 . . . H B n +B 2 150 ALA 150 147 . . . H C n +B 2 151 ASN 151 147 . . . H D n +B 2 152 VAL 152 147 . . . H E n +B 2 153 GLY 153 147 . . . H F n +B 2 154 LYS 154 147 . . . H G n +B 2 155 GLY 155 150 150 GLY GLY H . n +B 2 156 GLN 156 151 151 GLN GLN H . n +B 2 157 PRO 157 152 152 PRO PRO H . n +B 2 158 SER 158 153 153 SER SER H . n +B 2 159 VAL 159 154 154 VAL VAL H . n +B 2 160 LEU 160 155 155 LEU LEU H . n +B 2 161 GLN 161 156 156 GLN GLN H . n +B 2 162 VAL 162 157 157 VAL VAL H . n +B 2 163 VAL 163 158 158 VAL VAL H . n +B 2 164 ASN 164 159 159 ASN ASN H . n +B 2 165 LEU 165 160 160 LEU LEU H . n +B 2 166 PRO 166 161 161 PRO PRO H . n +B 2 167 ILE 167 162 162 ILE ILE H . n +B 2 168 VAL 168 163 163 VAL VAL H . n +B 2 169 GLU 169 164 164 GLU GLU H . n +B 2 170 ARG 170 165 165 ARG ARG H . n +B 2 171 PRO 171 166 166 PRO PRO H . n +B 2 172 VAL 172 167 167 VAL VAL H . n +B 2 173 CYS 173 168 168 CYS CYS H . n +B 2 174 LYS 174 169 169 LYS LYS H . n +B 2 175 ASP 175 170 170 ASP ASP H . n +B 2 176 SER 176 171 171 SER SER H . n +B 2 177 THR 177 172 172 THR THR H . n +B 2 178 ARG 178 173 173 ARG ARG H . n +B 2 179 ILE 179 174 174 ILE ILE H . n +B 2 180 ARG 180 175 175 ARG ARG H . n +B 2 181 ILE 181 176 176 ILE ILE H . n +B 2 182 THR 182 177 177 THR THR H . n +B 2 183 ASP 183 178 178 ASP ASP H . n +B 2 184 ASN 184 179 179 ASN ASN H . n +B 2 185 MET 185 180 180 MET MET H . n +B 2 186 PHE 186 181 181 PHE PHE H . n +B 2 187 CYS 187 182 182 CYS CYS H . n +B 2 188 ALA 188 183 183 ALA ALA H . n +B 2 189 GLY 189 184 184 GLY GLY H . n +B 2 190 TYR 190 184 184 TYR TYR H A n +B 2 191 LYS 191 185 185 LYS LYS H . n +B 2 192 PRO 192 186 186 PRO PRO H . n +B 2 193 ASP 193 186 186 ASP ASP H A n +B 2 194 GLU 194 186 186 GLU GLU H B n +B 2 195 GLY 195 186 186 GLY GLY H C n +B 2 196 LYS 196 186 186 LYS LYS H D n +B 2 197 ARG 197 187 187 ARG ARG H . n +B 2 198 GLY 198 188 188 GLY GLY H . n +B 2 199 ASP 199 189 189 ASP ASP H . n +B 2 200 ALA 200 190 190 ALA ALA H . n +B 2 201 CYS 201 191 191 CYS CYS H . n +B 2 202 GLU 202 192 192 GLU GLU H . n +B 2 203 GLY 203 193 193 GLY GLY H . n +B 2 204 ASP 204 194 194 ASP ASP H . n +B 2 205 SER 205 195 195 SER SER H . n +B 2 206 GLY 206 196 196 GLY GLY H . n +B 2 207 GLY 207 197 197 GLY GLY H . n +B 2 208 PRO 208 198 198 PRO PRO H . n +B 2 209 PHE 209 199 199 PHE PHE H . n +B 2 210 VAL 210 200 200 VAL VAL H . n +B 2 211 MET 211 201 201 MET MET H . n +B 2 212 LYS 212 202 202 LYS LYS H . n +B 2 213 SER 213 203 203 SER SER H . n +B 2 214 PRO 214 204 204 PRO PRO H . n +B 2 215 PHE 215 204 204 PHE PHE H A n +B 2 216 ASN 216 204 204 ASN ASN H B n +B 2 217 ASN 217 205 205 ASN ASN H . n +B 2 218 ARG 218 206 206 ARG ARG H . n +B 2 219 TRP 219 207 207 TRP TRP H . n +B 2 220 TYR 220 208 208 TYR TYR H . n +B 2 221 GLN 221 209 209 GLN GLN H . n +B 2 222 MET 222 210 210 MET MET H . n +B 2 223 GLY 223 211 211 GLY GLY H . n +B 2 224 ILE 224 212 212 ILE ILE H . n +B 2 225 VAL 225 213 213 VAL VAL H . n +B 2 226 SER 226 214 214 SER SER H . n +B 2 227 TRP 227 215 215 TRP TRP H . n +B 2 228 GLY 228 216 216 GLY GLY H . n +B 2 229 GLU 229 217 217 GLU GLU H . n +B 2 230 GLY 230 219 219 GLY GLY H . n +B 2 231 CYS 231 220 220 CYS CYS H . n +B 2 232 ASP 232 221 221 ASP ASP H . n +B 2 233 ARG 233 221 221 ARG ARG H A n +B 2 234 ASP 234 222 222 ASP ASP H . n +B 2 235 GLY 235 223 223 GLY GLY H . n +B 2 236 LYS 236 224 224 LYS LYS H . n +B 2 237 TYR 237 225 225 TYR TYR H . n +B 2 238 GLY 238 226 226 GLY GLY H . n +B 2 239 PHE 239 227 227 PHE PHE H . n +B 2 240 TYR 240 228 228 TYR TYR H . n +B 2 241 THR 241 229 229 THR THR H . n +B 2 242 HIS 242 230 230 HIS HIS H . n +B 2 243 VAL 243 231 231 VAL VAL H . n +B 2 244 PHE 244 232 232 PHE PHE H . n +B 2 245 ARG 245 233 233 ARG ARG H . n +B 2 246 LEU 246 234 234 LEU LEU H . n +B 2 247 LYS 247 235 235 LYS LYS H . n +B 2 248 LYS 248 236 236 LYS LYS H . n +B 2 249 TRP 249 237 237 TRP TRP H . n +B 2 250 ILE 250 238 238 ILE ILE H . n +B 2 251 GLN 251 239 239 GLN GLN H . n +B 2 252 LYS 252 240 240 LYS LYS H . n +B 2 253 VAL 253 241 241 VAL VAL H . n +B 2 254 ILE 254 242 242 ILE ILE H . n +B 2 255 ASP 255 243 243 ASP ASP H . n +B 2 256 GLN 256 244 244 GLN GLN H . n +B 2 257 PHE 257 245 245 PHE PHE H . n +B 2 258 GLY 258 246 246 GLY GLY H . n +B 2 259 GLU 259 247 247 GLU GLU H . n +C 3 1 ASN 1 353 . . . I . n +C 3 2 GLY 2 354 . . . I . n +C 3 3 ASP 3 355 355 ASP ASP I . n +C 3 4 PHE 4 356 356 PHE PHE I . n +C 3 5 GLU 5 357 357 GLU GLU I . n +C 3 6 GLU 6 358 358 GLU GLU I . n +C 3 7 ILE 7 359 359 ILE ILE I . n +C 3 8 PRO 8 360 360 PRO PRO I . n +C 3 9 GLU 9 361 361 GLU GLU I . n +C 3 10 GLU 10 362 362 GLU GLU I . n +C 3 11 TYS 11 363 363 TYS TYS I . n +C 3 12 LEU 12 364 364 LEU LEU I . n +D 4 1 34H 1 1 1 34H 34H J . n +D 4 2 LEU 2 2 2 LEU LEU J . n +D 4 3 PRJ 3 3 3 PRJ PRJ J . n +D 4 4 OAR 4 4 4 OAR OAR J . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +E 5 NA H 1 626 626 NA NA . +F 6 HOH L 1 471 471 HOH HOH . +F 6 HOH L 2 487 487 HOH HOH . +F 6 HOH L 3 493 493 HOH HOH . +F 6 HOH L 4 495 495 HOH HOH . +F 6 HOH L 5 499 499 HOH HOH . +F 6 HOH L 6 507 507 HOH HOH . +F 6 HOH L 7 508 508 HOH HOH . +F 6 HOH L 8 510 510 HOH HOH . +F 6 HOH L 9 517 517 HOH HOH . +F 6 HOH L 10 519 519 HOH HOH . +F 6 HOH L 11 520 520 HOH HOH . +F 6 HOH L 12 525 525 HOH HOH . +F 6 HOH L 13 528 528 HOH HOH . +F 6 HOH L 14 533 533 HOH HOH . +F 6 HOH L 15 542 542 HOH HOH . +F 6 HOH L 16 543 543 HOH HOH . +F 6 HOH L 17 549 549 HOH HOH . +F 6 HOH L 18 558 558 HOH HOH . +F 6 HOH L 19 563 563 HOH HOH . +F 6 HOH L 20 565 565 HOH HOH . +F 6 HOH L 21 567 567 HOH HOH . +F 6 HOH L 22 570 570 HOH HOH . +F 6 HOH L 23 573 573 HOH HOH . +F 6 HOH L 24 575 575 HOH HOH . +F 6 HOH L 25 577 577 HOH HOH . +F 6 HOH L 26 585 585 HOH HOH . +G 6 HOH H 1 450 450 HOH HOH . +G 6 HOH H 2 451 451 HOH HOH . +G 6 HOH H 3 452 452 HOH HOH . +G 6 HOH H 4 453 453 HOH HOH . +G 6 HOH H 5 454 454 HOH HOH . +G 6 HOH H 6 455 455 HOH HOH . +G 6 HOH H 7 456 456 HOH HOH . +G 6 HOH H 8 457 457 HOH HOH . +G 6 HOH H 9 458 458 HOH HOH . +G 6 HOH H 10 459 459 HOH HOH . +G 6 HOH H 11 460 460 HOH HOH . +G 6 HOH H 12 461 461 HOH HOH . +G 6 HOH H 13 463 463 HOH HOH . +G 6 HOH H 14 464 464 HOH HOH . +G 6 HOH H 15 465 465 HOH HOH . +G 6 HOH H 16 466 466 HOH HOH . +G 6 HOH H 17 467 467 HOH HOH . +G 6 HOH H 18 468 468 HOH HOH . +G 6 HOH H 19 469 469 HOH HOH . +G 6 HOH H 20 470 470 HOH HOH . +G 6 HOH H 21 472 472 HOH HOH . +G 6 HOH H 22 473 473 HOH HOH . +G 6 HOH H 23 474 474 HOH HOH . +G 6 HOH H 24 475 475 HOH HOH . +G 6 HOH H 25 476 476 HOH HOH . +G 6 HOH H 26 477 477 HOH HOH . +G 6 HOH H 27 478 478 HOH HOH . +G 6 HOH H 28 479 479 HOH HOH . +G 6 HOH H 29 480 480 HOH HOH . +G 6 HOH H 30 481 481 HOH HOH . +G 6 HOH H 31 482 482 HOH HOH . +G 6 HOH H 32 483 483 HOH HOH . +G 6 HOH H 33 484 484 HOH HOH . +G 6 HOH H 34 485 485 HOH HOH . +G 6 HOH H 35 486 486 HOH HOH . +G 6 HOH H 36 488 488 HOH HOH . +G 6 HOH H 37 489 489 HOH HOH . +G 6 HOH H 38 490 490 HOH HOH . +G 6 HOH H 39 492 492 HOH HOH . +G 6 HOH H 40 496 496 HOH HOH . +G 6 HOH H 41 497 497 HOH HOH . +G 6 HOH H 42 498 498 HOH HOH . +G 6 HOH H 43 500 500 HOH HOH . +G 6 HOH H 44 501 501 HOH HOH . +G 6 HOH H 45 502 502 HOH HOH . +G 6 HOH H 46 503 503 HOH HOH . +G 6 HOH H 47 504 504 HOH HOH . +G 6 HOH H 48 505 505 HOH HOH . +G 6 HOH H 49 506 506 HOH HOH . +G 6 HOH H 50 511 511 HOH HOH . +G 6 HOH H 51 512 512 HOH HOH . +G 6 HOH H 52 513 513 HOH HOH . +G 6 HOH H 53 514 514 HOH HOH . +G 6 HOH H 54 515 515 HOH HOH . +G 6 HOH H 55 516 516 HOH HOH . +G 6 HOH H 56 518 518 HOH HOH . +G 6 HOH H 57 521 521 HOH HOH . +G 6 HOH H 58 522 522 HOH HOH . +G 6 HOH H 59 523 523 HOH HOH . +G 6 HOH H 60 524 524 HOH HOH . +G 6 HOH H 61 526 526 HOH HOH . +G 6 HOH H 62 527 527 HOH HOH . +G 6 HOH H 63 529 529 HOH HOH . +G 6 HOH H 64 530 530 HOH HOH . +G 6 HOH H 65 531 531 HOH HOH . +G 6 HOH H 66 532 532 HOH HOH . +G 6 HOH H 67 534 534 HOH HOH . +G 6 HOH H 68 535 535 HOH HOH . +G 6 HOH H 69 536 536 HOH HOH . +G 6 HOH H 70 538 538 HOH HOH . +G 6 HOH H 71 539 539 HOH HOH . +G 6 HOH H 72 540 540 HOH HOH . +G 6 HOH H 73 541 541 HOH HOH . +G 6 HOH H 74 544 544 HOH HOH . +G 6 HOH H 75 545 545 HOH HOH . +G 6 HOH H 76 546 546 HOH HOH . +G 6 HOH H 77 547 547 HOH HOH . +G 6 HOH H 78 550 550 HOH HOH . +G 6 HOH H 79 551 551 HOH HOH . +G 6 HOH H 80 552 552 HOH HOH . +G 6 HOH H 81 554 554 HOH HOH . +G 6 HOH H 82 555 555 HOH HOH . +G 6 HOH H 83 556 556 HOH HOH . +G 6 HOH H 84 557 557 HOH HOH . +G 6 HOH H 85 559 559 HOH HOH . +G 6 HOH H 86 560 560 HOH HOH . +G 6 HOH H 87 561 561 HOH HOH . +G 6 HOH H 88 562 562 HOH HOH . +G 6 HOH H 89 564 564 HOH HOH . +G 6 HOH H 90 566 566 HOH HOH . +G 6 HOH H 91 568 568 HOH HOH . +G 6 HOH H 92 569 569 HOH HOH . +G 6 HOH H 93 571 571 HOH HOH . +G 6 HOH H 94 572 572 HOH HOH . +G 6 HOH H 95 574 574 HOH HOH . +G 6 HOH H 96 576 576 HOH HOH . +G 6 HOH H 97 578 578 HOH HOH . +G 6 HOH H 98 579 579 HOH HOH . +G 6 HOH H 99 580 580 HOH HOH . +G 6 HOH H 100 581 581 HOH HOH . +G 6 HOH H 101 582 582 HOH HOH . +G 6 HOH H 102 583 583 HOH HOH . +G 6 HOH H 103 584 584 HOH HOH . +G 6 HOH H 104 586 586 HOH HOH . +G 6 HOH H 105 587 587 HOH HOH . +G 6 HOH H 106 588 588 HOH HOH . +G 6 HOH H 107 589 589 HOH HOH . +G 6 HOH H 108 590 590 HOH HOH . +G 6 HOH H 109 593 593 HOH HOH . +G 6 HOH H 110 594 594 HOH HOH . +G 6 HOH H 111 595 595 HOH HOH . +G 6 HOH H 112 596 596 HOH HOH . +G 6 HOH H 113 597 597 HOH HOH . +G 6 HOH H 114 598 598 HOH HOH . +G 6 HOH H 115 599 599 HOH HOH . +G 6 HOH H 116 600 600 HOH HOH . +G 6 HOH H 117 601 601 HOH HOH . +G 6 HOH H 118 602 602 HOH HOH . +G 6 HOH H 119 603 603 HOH HOH . +G 6 HOH H 120 604 604 HOH HOH . +G 6 HOH H 121 605 605 HOH HOH . +G 6 HOH H 122 606 606 HOH HOH . +G 6 HOH H 123 607 607 HOH HOH . +G 6 HOH H 124 608 608 HOH HOH . +G 6 HOH H 125 609 609 HOH HOH . +G 6 HOH H 126 610 610 HOH HOH . +G 6 HOH H 127 611 611 HOH HOH . +G 6 HOH H 128 613 613 HOH HOH . +G 6 HOH H 129 615 615 HOH HOH . +G 6 HOH H 130 616 616 HOH HOH . +G 6 HOH H 131 617 617 HOH HOH . +G 6 HOH H 132 618 618 HOH HOH . +G 6 HOH H 133 619 619 HOH HOH . +G 6 HOH H 134 620 620 HOH HOH . +G 6 HOH H 135 621 621 HOH HOH . +G 6 HOH H 136 622 622 HOH HOH . +G 6 HOH H 137 623 623 HOH HOH . +G 6 HOH H 138 625 625 HOH HOH . +H 6 HOH I 1 491 491 HOH HOH . +H 6 HOH I 2 509 509 HOH HOH . +H 6 HOH I 3 537 537 HOH HOH . +H 6 HOH I 4 548 548 HOH HOH . +H 6 HOH I 5 553 553 HOH HOH . +H 6 HOH I 6 614 614 HOH HOH . +I 6 HOH J 1 462 462 HOH HOH . +I 6 HOH J 2 494 494 HOH HOH . +I 6 HOH J 3 591 591 HOH HOH . +I 6 HOH J 4 592 592 HOH HOH . +I 6 HOH J 5 612 612 HOH HOH . +I 6 HOH J 6 624 624 HOH HOH . +# +_pdbx_molecule_features.prd_id PRD_000555 +_pdbx_molecule_features.class 'thrombin inhibitor, trypsin inhibitor' +_pdbx_molecule_features.type oligopeptide +_pdbx_molecule_features.name 'AERUGINOSIN 298-A' +_pdbx_molecule_features.details ? +# +_pdbx_molecule.prd_id PRD_000555 +_pdbx_molecule.instance_id 1 +_pdbx_molecule.asym_id D +# +loop_ +_pdbx_struct_mod_residue.id +_pdbx_struct_mod_residue.auth_asym_id +_pdbx_struct_mod_residue.auth_comp_id +_pdbx_struct_mod_residue.auth_seq_id +_pdbx_struct_mod_residue.PDB_ins_code +_pdbx_struct_mod_residue.label_asym_id +_pdbx_struct_mod_residue.label_comp_id +_pdbx_struct_mod_residue.label_seq_id +_pdbx_struct_mod_residue.parent_comp_id +_pdbx_struct_mod_residue.details +1 I TYS 363 ? C TYS 11 TYR O-SULFO-L-TYROSINE +2 J PRJ 3 ? D PRJ 3 PRO ? +3 J OAR 4 ? D OAR 4 ARG N-(4-AMINO-5-HYDROXY-PENTYL)-GUANIDINE +# +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details tetrameric +_pdbx_struct_assembly.oligomeric_count 4 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1 +_pdbx_struct_oper_list.matrix[1][2] 0 +_pdbx_struct_oper_list.matrix[1][3] 0 +_pdbx_struct_oper_list.matrix[2][1] 0 +_pdbx_struct_oper_list.matrix[2][2] 1 +_pdbx_struct_oper_list.matrix[2][3] 0 +_pdbx_struct_oper_list.matrix[3][1] 0 +_pdbx_struct_oper_list.matrix[3][2] 0 +_pdbx_struct_oper_list.matrix[3][3] 1 +_pdbx_struct_oper_list.vector[1] 0 +_pdbx_struct_oper_list.vector[2] 0 +_pdbx_struct_oper_list.vector[3] 0 +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 O . B LYS 236 . H LYS 224 . 1_555 NA . E NA . . H NA 626 . 1_555 O . B ARG 233 . H ARG 221 A 1_555 90.2 . +2 O . B LYS 236 . H LYS 224 . 1_555 NA . E NA . . H NA 626 . 1_555 O . G HOH . . H HOH 503 . 1_555 73.7 . +3 O . B ARG 233 . H ARG 221 A 1_555 NA . E NA . . H NA 626 . 1_555 O . G HOH . . H HOH 503 . 1_555 132.20000000000002 . +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1998-07-01 +2 'Structure model' 1 1 2008-03-24 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2012-12-12 +5 'Structure model' 1 4 2013-06-05 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Atomic model' +3 3 'Structure model' 'Database references' +4 3 'Structure model' 'Derived calculations' +5 3 'Structure model' 'Non-polymer description' +6 3 'Structure model' 'Structure summary' +7 3 'Structure model' 'Version format compliance' +8 4 'Structure model' Other +9 5 'Structure model' 'Atomic model' +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +'data collection' . . RIGAKU . . 1 +'data reduction' . . RIGAKU . . 2 +'model building' . . X-PLOR . . 3 +refinement . . PROLSQ . . 4 +refinement . . X-PLOR . . 5 +'data scaling' . . RIGAKU . . 6 +phasing . . X-PLOR . . 7 +# +_pdbx_entry_details.entry_id 1A2C +_pdbx_entry_details.compound_details +;THROMBIN IS CLEAVED BETWEEN RESIDUES 15 AND 16. CHAIN +IDENTIFIER *L* IS USED FOR RESIDUES 1H - 15 AND CHAIN +IDENTIFIER *H* IS USED FOR RESIDUES 16 - 247. RESIDUES +355 - 364 REPRESENT THE HIRUGEN AND HAVE BEEN ASSIGNED +CHAIN IDENTIFIER *I*. THE HIRUGEN RESIDUE NUMBERING +CORRESPONDS TO THE C-TERMINAL RESIDUES OF HIRUDIN. +; +_pdbx_entry_details.source_details . +_pdbx_entry_details.nonpolymer_details . +_pdbx_entry_details.sequence_details . +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 O H PRO 124 . . NZ H LYS 235 . . 2.09 +2 1 N H GLY 219 . . O4 J 34H 1 . . 2.13 +3 1 ND2 H ASN 98 . . O H ARG 175 . . 2.18 +4 1 OE1 H GLN 30 . . OG1 H THR 139 . . 2.18 +# +loop_ +_pdbx_validate_symm_contact.id +_pdbx_validate_symm_contact.PDB_model_num +_pdbx_validate_symm_contact.auth_atom_id_1 +_pdbx_validate_symm_contact.auth_asym_id_1 +_pdbx_validate_symm_contact.auth_comp_id_1 +_pdbx_validate_symm_contact.auth_seq_id_1 +_pdbx_validate_symm_contact.PDB_ins_code_1 +_pdbx_validate_symm_contact.label_alt_id_1 +_pdbx_validate_symm_contact.site_symmetry_1 +_pdbx_validate_symm_contact.auth_atom_id_2 +_pdbx_validate_symm_contact.auth_asym_id_2 +_pdbx_validate_symm_contact.auth_comp_id_2 +_pdbx_validate_symm_contact.auth_seq_id_2 +_pdbx_validate_symm_contact.PDB_ins_code_2 +_pdbx_validate_symm_contact.label_alt_id_2 +_pdbx_validate_symm_contact.site_symmetry_2 +_pdbx_validate_symm_contact.dist +1 1 C L ASP 14 L . 1_555 NH2 H ARG 173 . . 4_556 1.86 +2 1 O L ASP 14 L . 1_555 NH2 H ARG 173 . . 4_556 2.09 +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 C L TYR 14 J . N L ILE 14 K . 1.124 1.336 -0.212 0.023 Y +2 1 C H GLY 216 . . N H GLU 217 . . 1.493 1.336 0.157 0.023 Y +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 CB L ASP 1 A . CG L ASP 1 A . OD1 L ASP 1 A . 107.02 118.30000000000001 -11.28 0.9 N +2 1 CB L ASP 1 A . CG L ASP 1 A . OD2 L ASP 1 A . 128.67000000000002 118.30000000000001 10.370000000000001 0.9 N +3 1 NH1 L ARG 4 . . CZ L ARG 4 . . NH2 L ARG 4 . . 110.85000000000001 119.4 -8.55 1.1 N +4 1 NE L ARG 4 . . CZ L ARG 4 . . NH2 L ARG 4 . . 125.76 120.30000000000001 5.46 0.5 N +5 1 O L LYS 10 . . C L LYS 10 . . N L SER 11 . . 134.44 122.7 11.74 1.6 Y +6 1 CB L GLU 13 . . CA L GLU 13 . . C L GLU 13 . . 96.9 110.4 -13.5 2 N +7 1 CB L ASP 14 . . CG L ASP 14 . . OD1 L ASP 14 . . 109.2 118.30000000000001 -9.1 0.9 N +8 1 CB L ASP 14 . . CG L ASP 14 . . OD2 L ASP 14 . . 126.05 118.30000000000001 7.75 0.9 N +9 1 NE L ARG 14 D . CZ L ARG 14 D . NH2 L ARG 14 D . 124.07000000000001 120.30000000000001 3.77 0.5 N +10 1 CA L TYR 14 J . C L TYR 14 J . N L ILE 14 K . 102.22 117.2 -14.98 2.2 Y +11 1 C H ILE 24 . . N H GLY 25 . . CA H GLY 25 . . 137.64000000000001 122.30000000000001 15.34 2.1 Y +12 1 N H SER 27 . . CA H SER 27 . . CB H SER 27 . . 101.23 110.5 -9.27 1.5 N +13 1 CA H GLN 30 . . CB H GLN 30 . . CG H GLN 30 . . 127.62 113.4 14.22 2.2 N +14 1 N H LEU 33 . . CA H LEU 33 . . CB H LEU 33 . . 97.3 110.4 -13.1 2 N +15 1 O H GLN 38 . . C H GLN 38 . . N H GLU 39 . . 133.19 122.7 10.49 1.6 Y +16 1 CB H ASP 49 . . CG H ASP 49 . . OD1 H ASP 49 . . 110.33 118.30000000000001 -7.97 0.9 N +17 1 CB H ASP 49 . . CG H ASP 49 . . OD2 H ASP 49 . . 124.92 118.30000000000001 6.62 0.9 N +18 1 CA H TYR 60 A . CB H TYR 60 A . CG H TYR 60 A . 101.38 113.4 -12.02 1.9000000000000001 N +19 1 N H ASP 60 E . CA H ASP 60 E . CB H ASP 60 E . 99.65 110.60000000000001 -10.950000000000001 1.8 N +20 1 CB H ASP 60 E . CG H ASP 60 E . OD1 H ASP 60 E . 110.51 118.30000000000001 -7.79 0.9 N +21 1 O H ASP 63 . . C H ASP 63 . . N H LEU 64 . . 132.51 122.7 9.81 1.6 Y +22 1 NH1 H ARG 73 . . CZ H ARG 73 . . NH2 H ARG 73 . . 109.56 119.4 -9.84 1.1 N +23 1 NE H ARG 73 . . CZ H ARG 73 . . NH1 H ARG 73 . . 124.76 120.30000000000001 4.46 0.5 N +24 1 NE H ARG 73 . . CZ H ARG 73 . . NH2 H ARG 73 . . 125.33 120.30000000000001 5.03 0.5 N +25 1 NE H ARG 75 . . CZ H ARG 75 . . NH2 H ARG 75 . . 124.15 120.30000000000001 3.85 0.5 N +26 1 NE H ARG 77 A . CZ H ARG 77 A . NH1 H ARG 77 A . 117.23 120.30000000000001 -3.0700000000000003 0.5 N +27 1 CA H ARG 77 A . C H ARG 77 A . O H ARG 77 A . 106.82000000000001 120.10000000000001 -13.280000000000001 2.1 N +28 1 CB H TYR 94 . . CG H TYR 94 . . CD2 H TYR 94 . . 116.9 121 -4.1 0.6000000000000001 N +29 1 CD H ARG 97 . . NE H ARG 97 . . CZ H ARG 97 . . 112.43 123.60000000000001 -11.17 1.4000000000000001 N +30 1 NE H ARG 97 . . CZ H ARG 97 . . NH1 H ARG 97 . . 114.27 120.30000000000001 -6.03 0.5 N +31 1 NE H ARG 97 . . CZ H ARG 97 . . NH2 H ARG 97 . . 127.11 120.30000000000001 6.8100000000000005 0.5 N +32 1 NE H ARG 101 . . CZ H ARG 101 . . NH2 H ARG 101 . . 113.97 120.30000000000001 -6.33 0.5 N +33 1 CA H LEU 123 . . CB H LEU 123 . . CG H LEU 123 . . 132.15 115.30000000000001 16.85 2.3000000000000003 N +34 1 CB H ASP 125 . . CG H ASP 125 . . OD2 H ASP 125 . . 124.76 118.30000000000001 6.46 0.9 N +35 1 CG H ARG 126 . . CD H ARG 126 . . NE H ARG 126 . . 124.5 111.80000000000001 12.700000000000001 2.1 N +36 1 NH1 H ARG 126 . . CZ H ARG 126 . . NH2 H ARG 126 . . 112.49000000000001 119.4 -6.91 1.1 N +37 1 NE H ARG 126 . . CZ H ARG 126 . . NH2 H ARG 126 . . 128.36 120.30000000000001 8.06 0.5 N +38 1 O H ALA 132 . . C H ALA 132 . . N H GLY 133 . . 135.24 123.2 12.040000000000001 1.7000000000000002 Y +39 1 NE H ARG 137 . . CZ H ARG 137 . . NH1 H ARG 137 . . 114.87 120.30000000000001 -5.43 0.5 N +40 1 NE H ARG 137 . . CZ H ARG 137 . . NH2 H ARG 137 . . 124.71000000000001 120.30000000000001 4.41 0.5 N +41 1 CA H ARG 137 . . C H ARG 137 . . O H ARG 137 . . 106.37 120.10000000000001 -13.73 2.1 N +42 1 O H ARG 137 . . C H ARG 137 . . N H VAL 138 . . 134.58 122.7 11.88 1.6 Y +43 1 O H TRP 141 . . C H TRP 141 . . N H GLY 142 . . 109.3 123.2 -13.9 1.7000000000000002 Y +44 1 CA H GLY 142 . . C H GLY 142 . . O H GLY 142 . . 131.4 120.60000000000001 10.8 1.8 N +45 1 O H ASN 143 . . C H ASN 143 . . N H LEU 144 . . 133.62 122.7 10.92 1.6 Y +46 1 N H LYS 145 . . CA H LYS 145 . . CB H LYS 145 . . 121.74000000000001 110.60000000000001 11.14 1.8 N +47 1 OE1 H GLU 146 . . CD H GLU 146 . . OE2 H GLU 146 . . 136.33 123.30000000000001 13.030000000000001 1.2000000000000002 N +48 1 CA H ARG 165 . . CB H ARG 165 . . CG H ARG 165 . . 131.36 113.4 17.96 2.2 N +49 1 CD H ARG 165 . . NE H ARG 165 . . CZ H ARG 165 . . 115.07000000000001 123.60000000000001 -8.53 1.4000000000000001 N +50 1 CD H ARG 173 . . NE H ARG 173 . . CZ H ARG 173 . . 113.89 123.60000000000001 -9.71 1.4000000000000001 N +51 1 NE H ARG 173 . . CZ H ARG 173 . . NH1 H ARG 173 . . 117.06 120.30000000000001 -3.24 0.5 N +52 1 NE H ARG 173 . . CZ H ARG 173 . . NH2 H ARG 173 . . 125.71000000000001 120.30000000000001 5.41 0.5 N +53 1 CA H ILE 176 . . CB H ILE 176 . . CG2 H ILE 176 . . 125.69 110.9 14.790000000000001 2 N +54 1 CG H GLU 186 B . CD H GLU 186 B . OE1 H GLU 186 B . 105.09 118.30000000000001 -13.21 2 N +55 1 CG H GLU 186 B . CD H GLU 186 B . OE2 H GLU 186 B . 132.45 118.30000000000001 14.15 2 N +56 1 CB H ASP 194 . . CG H ASP 194 . . OD1 H ASP 194 . . 107.41 118.30000000000001 -10.89 0.9 N +57 1 CB H ASP 194 . . CG H ASP 194 . . OD2 H ASP 194 . . 127.43 118.30000000000001 9.13 0.9 N +58 1 O H PHE 199 . . C H PHE 199 . . N H VAL 200 . . 112.71000000000001 122.7 -9.99 1.6 Y +59 1 CA H VAL 200 . . CB H VAL 200 . . CG1 H VAL 200 . . 121.9 110.9 11 1.5 N +60 1 CA H MET 201 . . CB H MET 201 . . CG H MET 201 . . 101.89 113.30000000000001 -11.41 1.7000000000000002 N +61 1 NE H ARG 206 . . CZ H ARG 206 . . NH1 H ARG 206 . . 129.57 120.30000000000001 9.27 0.5 N +62 1 NE H ARG 206 . . CZ H ARG 206 . . NH2 H ARG 206 . . 112.82000000000001 120.30000000000001 -7.48 0.5 N +63 1 CA H MET 210 . . CB H MET 210 . . CG H MET 210 . . 102.97 113.30000000000001 -10.33 1.7000000000000002 N +64 1 CG H MET 210 . . SD H MET 210 . . CE H MET 210 . . 90.43 100.2 -9.77 1.6 N +65 1 NE H ARG 221 A . CZ H ARG 221 A . NH1 H ARG 221 A . 115.61 120.30000000000001 -4.69 0.5 N +66 1 CD H ARG 233 . . NE H ARG 233 . . CZ H ARG 233 . . 137.78 123.60000000000001 14.18 1.4000000000000001 N +67 1 CB H ASP 243 . . CG H ASP 243 . . OD1 H ASP 243 . . 129.34 118.30000000000001 11.040000000000001 0.9 N +68 1 CB I GLU 362 . . CG I GLU 362 . . CD I GLU 362 . . 131.23 114.2 17.03 2.7 N +69 1 CB J LEU 2 . . CA J LEU 2 . . C J LEU 2 . . 125.24000000000001 110.2 15.040000000000001 1.9000000000000001 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 PHE L 1 G . -67.84 -141.19 +2 1 SER L 1 E . 33.89 83.5 +3 1 GLU L 1 C . -71.21000000000001 -148.66 +4 1 ALA L 1 B . -101.5 -60.15 +5 1 PHE L 7 . . -134.21 -74.75 +6 1 TYR L 14 J . -76.29 39.46 +7 1 ILE L 14 K . 29.060000000000002 48.63 +8 1 ALA H 44 . . 169.17000000000002 164.93 +9 1 SER H 48 . . -179.01 -174.88 +10 1 TYR H 60 A . -161.19 77.26 +11 1 ASN H 60 G . -150.45000000000002 70.72 +12 1 HIS H 71 . . -136.76 -50.620000000000005 +13 1 GLU H 97 A . -116.28 -71.84 +14 1 SER H 115 . . -167.52 -168.11 +15 1 ARG H 126 . . -34.81 -33.96 +16 1 ASP H 170 . . -59.15 -8 +17 1 GLU H 192 . . -37.9 154.53 +18 1 ASN H 205 . . 57.370000000000005 8.51 +19 1 SER H 214 . . -109.63 -69.67 +20 1 PHE H 245 . . -161.02 31 +# +loop_ +_pdbx_validate_main_chain_plane.id +_pdbx_validate_main_chain_plane.PDB_model_num +_pdbx_validate_main_chain_plane.auth_comp_id +_pdbx_validate_main_chain_plane.auth_asym_id +_pdbx_validate_main_chain_plane.auth_seq_id +_pdbx_validate_main_chain_plane.PDB_ins_code +_pdbx_validate_main_chain_plane.label_alt_id +_pdbx_validate_main_chain_plane.improper_torsion_angle +1 1 LEU L 3 . . 13.6 +2 1 PRO L 5 . . -10.75 +3 1 ARG L 14 D . 13.1 +4 1 TRP H 29 . . -11.15 +5 1 GLY H 43 . . -11.450000000000001 +6 1 ALA H 44 . . 10.540000000000001 +7 1 ILE H 47 . . -11.92 +8 1 PRO H 60 C . 13.09 +9 1 TRP H 60 D . 14.92 +10 1 LEU H 65 . . -13.48 +11 1 SER H 72 . . -11.05 +12 1 ILE H 79 . . -10.71 +13 1 LEU H 99 . . 10.25 +14 1 LYS H 107 . . 10 +15 1 TYR H 134 . . -14.86 +16 1 TRP H 141 . . 17.48 +17 1 GLN H 151 . . 10.15 +18 1 GLU H 164 . . 11.82 +19 1 THR H 172 . . -12.63 +20 1 GLU H 192 . . -11.620000000000001 +21 1 GLY H 196 . . -12.790000000000001 +22 1 GLY H 197 . . -11.27 +23 1 ILE H 212 . . 15.57 +# +_pdbx_validate_planes.id 1 +_pdbx_validate_planes.PDB_model_num 1 +_pdbx_validate_planes.auth_comp_id ARG +_pdbx_validate_planes.auth_asym_id H +_pdbx_validate_planes.auth_seq_id 75 +_pdbx_validate_planes.PDB_ins_code . +_pdbx_validate_planes.label_alt_id . +_pdbx_validate_planes.rmsd 0.079 +_pdbx_validate_planes.type 'SIDE CHAIN' +# +loop_ +_pdbx_validate_polymer_linkage.id +_pdbx_validate_polymer_linkage.PDB_model_num +_pdbx_validate_polymer_linkage.auth_atom_id_1 +_pdbx_validate_polymer_linkage.auth_asym_id_1 +_pdbx_validate_polymer_linkage.auth_comp_id_1 +_pdbx_validate_polymer_linkage.auth_seq_id_1 +_pdbx_validate_polymer_linkage.PDB_ins_code_1 +_pdbx_validate_polymer_linkage.label_alt_id_1 +_pdbx_validate_polymer_linkage.auth_atom_id_2 +_pdbx_validate_polymer_linkage.auth_asym_id_2 +_pdbx_validate_polymer_linkage.auth_comp_id_2 +_pdbx_validate_polymer_linkage.auth_seq_id_2 +_pdbx_validate_polymer_linkage.PDB_ins_code_2 +_pdbx_validate_polymer_linkage.label_alt_id_2 +_pdbx_validate_polymer_linkage.dist +1 1 C L TYR 14 J . N L ILE 14 K . 1.12 +2 1 C L ASP 14 L . N L GLY 14 M . 1.74 +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 L ARG 15 . CG . A ARG 36 CG +2 1 Y 1 L ARG 15 . CD . A ARG 36 CD +3 1 Y 1 L ARG 15 . NE . A ARG 36 NE +4 1 Y 1 L ARG 15 . CZ . A ARG 36 CZ +5 1 Y 1 L ARG 15 . NH1 . A ARG 36 NH1 +6 1 Y 1 L ARG 15 . NH2 . A ARG 36 NH2 +7 1 Y 1 I GLU 361 . CB . C GLU 9 CB +8 1 Y 1 I GLU 361 . CG . C GLU 9 CG +9 1 Y 1 I GLU 361 . CD . C GLU 9 CD +10 1 Y 1 I GLU 361 . OE1 . C GLU 9 OE1 +11 1 Y 1 I GLU 361 . OE2 . C GLU 9 OE2 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 y 1 1 H TRP 147 A B TRP 148 +2 y 1 1 H THR 147 B B THR 149 +3 y 1 1 H ALA 147 C B ALA 150 +4 y 1 1 H ASN 147 D B ASN 151 +5 y 1 1 H VAL 147 E B VAL 152 +6 y 1 1 H GLY 147 F B GLY 153 +7 y 1 1 H LYS 147 G B LYS 154 +8 y 1 1 I ASN 353 ? C ASN 1 +9 y 1 1 I GLY 354 ? C GLY 2 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.name +5 NA 'SODIUM ION' +6 HOH water +# +_model_server_stats.io_time_ms 5 +_model_server_stats.parse_time_ms 69 +_model_server_stats.create_model_time_ms 12 +_model_server_stats.query_time_ms 232 +_model_server_stats.encode_time_ms 70 +_model_server_stats.element_count 2629 # diff --git a/src/test/resources/cif/1a2c.cif.gz b/src/test/resources/cif/1a2c.cif.gz index 74fcd2f21..fb675b67a 100644 Binary files a/src/test/resources/cif/1a2c.cif.gz and b/src/test/resources/cif/1a2c.cif.gz differ diff --git a/src/test/resources/cif/1acj-cases.cif b/src/test/resources/cif/1acj-cases.cif index 262d868d2..a57108406 100644 --- a/src/test/resources/cif/1acj-cases.cif +++ b/src/test/resources/cif/1acj-cases.cif @@ -1,162 +1,120 @@ data_1ACJ # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:40:36' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 +_model_server_result.job_id 8h2cCaTifrxASYmesQrVqw +_model_server_result.datetime_utc '2022-06-14 23:43:27' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 1acj # -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_entry.id 1ACJ # -_entry.id 1ACJ +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.348 # loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer man ACETYLCHOLINESTERASE ? ? . ? ? 3.1.1.7 -2 non-polymer syn TACRINE ? ? . ? ? ? -3 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 1ACJ +wwpdb D_1000170654 # -_exptl.entry_id 1ACJ -_exptl.method 'X-ray diffraction' +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 1ACJ +_pdbx_database_status.recvd_initial_deposition_date 1993-08-18 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 SER A 79 . ASN A 85 . SER A 79 ASN A 85 1 ? 7 -HELX_P HELX_P2 2 GLY A 132 . GLU A 139 . GLY A 132 GLU A 139 1 ? 8 -HELX_P HELX_P3 3 VAL A 168 . ASN A 183 . VAL A 168 ASN A 183 1 ? 16 -HELX_P HELX_P4 4 SER A 200 . LEU A 211 . SER A 200 LEU A 211 1 ? 12 -HELX_P HELX_P5 5 VAL A 238 . LEU A 252 . VAL A 238 LEU A 252 1 ? 15 -HELX_P HELX_P6 6 ASP A 259 . GLU A 268 . ASP A 259 GLU A 268 1 ? 10 -HELX_P HELX_P7 7 PRO A 271 . GLU A 278 . PRO A 271 GLU A 278 1 ? 8 -HELX_P HELX_P8 8 LEU A 305 . SER A 311 . LEU A 305 SER A 311 1 ? 7 -HELX_P HELX_P9 9 ARG A 349 . VAL A 360 . ARG A 349 VAL A 360 1 ? 12 -HELX_P HELX_P10 10 ASP A 365 . THR A 376 . ASP A 365 THR A 376 1 ? 12 -HELX_P HELX_P11 11 GLY A 384 . TYR A 411 . GLY A 384 TYR A 411 1 ? 28 -HELX_P HELX_P12 12 GLU A 443 . PHE A 448 . GLU A 443 PHE A 448 1 ? 6 -HELX_P HELX_P13 13 ALA A 460 . THR A 479 . ALA A 460 THR A 479 1 ? 20 -HELX_P HELX_P14 14 VAL A 518 . ALA A 534 . VAL A 518 ALA A 534 1 ? 17 +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Sussman, J.L.' 1 . +'Harel, M.' 2 . +'Silman, I.' 3 . # loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -S1 1 LEU A 6 . THR A 10 . ? LEU A 6 THR A 10 -S1 2 GLY A 13 . MET A 16 . ? GLY A 13 MET A 16 -S1 3 THR A 18 . PRO A 21 . ? THR A 18 PRO A 21 -S1 4 HIS A 26 . PRO A 34 . ? HIS A 26 PRO A 34 -S1 5 VAL A 57 . ALA A 60 . ? VAL A 57 ALA A 60 -S1 6 TYR A 96 . PRO A 102 . ? TYR A 96 PRO A 102 -S1 8 THR A 109 . TYR A 116 . ? THR A 109 TYR A 116 -S1 7 VAL A 142 . SER A 147 . ? VAL A 142 SER A 147 -S1 9 THR A 193 . GLU A 199 . ? THR A 193 GLU A 199 -S1 10 ARG A 220 . SER A 226 . ? ARG A 220 SER A 226 -S1 11 GLN A 318 . GLY A 335 . ? GLN A 318 GLY A 335 -S1 12 GLY A 417 . PHE A 423 . ? GLY A 417 PHE A 423 -S2 1 PHE A 502 . LEU A 505 . ? PHE A 502 LEU A 505 -S2 2 MET A 510 . GLN A 514 . ? MET A 510 GLN A 514 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_and_software_defined_assembly -_pdbx_struct_assembly.method_details PISA -_pdbx_struct_assembly.oligomeric_details dimeric -_pdbx_struct_assembly.oligomeric_count 2 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1,2 -_pdbx_struct_assembly_gen.asym_id_list A,B,C +_citation.book_publisher +_citation.country +_citation.id +_citation.journal_abbrev +_citation.journal_id_ASTM +_citation.journal_id_CSD +_citation.journal_id_ISSN +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.title +_citation.year +_citation.pdbx_database_id_DOI +_citation.pdbx_database_id_PubMed +? US primary Proc.Natl.Acad.Sci.USA PNASA6 40 0027-8424 90 9031 9035 'Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.' 1993 10.1073/pnas.90.19.9031 8415649 +? US 1 Science SCIEAS 38 0036-8075 253 872 ? 'Atomic Structure of Acetylcholinesterase from Torpedo Californica: A Prototypic Acetylcholine-Binding Protein' 1991 ? ? # loop_ -_pdbx_struct_oper_list.id -_pdbx_struct_oper_list.type -_pdbx_struct_oper_list.name -_pdbx_struct_oper_list.symmetry_operation -_pdbx_struct_oper_list.matrix[1][1] -_pdbx_struct_oper_list.matrix[1][2] -_pdbx_struct_oper_list.matrix[1][3] -_pdbx_struct_oper_list.vector[1] -_pdbx_struct_oper_list.matrix[2][1] -_pdbx_struct_oper_list.matrix[2][2] -_pdbx_struct_oper_list.matrix[2][3] -_pdbx_struct_oper_list.vector[2] -_pdbx_struct_oper_list.matrix[3][1] -_pdbx_struct_oper_list.matrix[3][2] -_pdbx_struct_oper_list.matrix[3][3] -_pdbx_struct_oper_list.vector[3] -1 'identity operation' 1_555 x,y,z 1 0 0 0 0 1 0 0 0 0 1 0 -2 'crystal symmetry operation' 4_556 y,x,-z+1 -0.5 0.8660254038 0 0 0.8660254038 0.5 0 0 0 0 -1 138.1 +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Harel, M.' 1 +primary 'Schalk, I.' 2 +primary 'Ehret-Sabatier, L.' 3 +primary 'Bouet, F.' 4 +primary 'Goeldner, M.' 5 +primary 'Hirth, C.' 6 +primary 'Axelsen, P.H.' 7 +primary 'Silman, I.' 8 +primary 'Sussman, J.L.' 9 +1 'Sussman, J.' 10 +1 'Harel, M.' 11 +1 'Frolow, F.' 12 +1 'Oefner, C.' 13 +1 'Goldman, A.' 14 +1 'Toker, L.' 15 +1 'Silman, I.' 16 # -_cell.entry_id 1ACJ -_cell.length_a 113.7 -_cell.length_b 113.7 -_cell.length_c 138.1 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 120 -_cell.Z_PDB 6 -_cell.pdbx_unique_axis ? +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 120 +_cell.entry_id 1ACJ +_cell.length_a 113.7 +_cell.length_b 113.7 +_cell.length_c 138.1 +_cell.Z_PDB 6 +_cell.pdbx_unique_axis ? # -_symmetry.entry_id 1ACJ -_symmetry.space_group_name_H-M 'P 31 2 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 152 -_symmetry.space_group_name_Hall ? +_symmetry.entry_id 1ACJ +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 152 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 31 2 1' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 60792.516 1 man polymer ACETYLCHOLINESTERASE 1 ? ? 3.1.1.7 +? 198.264 2 syn non-polymer TACRINE 1 ? ? ? +? 18.015 3 nat water water 82 ? ? ? # -_entity_poly.entity_id 1 -_entity_poly.type polypeptide(L) -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code +_entity_poly.entity_id 1 +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.type polypeptide(L) +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_seq_one_letter_code ;DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSG SEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHG SQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAE @@ -164,9 +122,8 @@ GRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQIL LGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNV ICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTG NPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATET -; - -_entity_poly.pdbx_seq_one_letter_code_can +; +_entity_poly.pdbx_seq_one_letter_code_can ;DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSG SEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHG SQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAE @@ -174,1141 +131,1038 @@ GRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQIL LGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNV ICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTG NPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATET -; - -_entity_poly.pdbx_strand_id A +; +_entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 ASP n -1 2 ASP n -1 3 HIS n -1 4 SER n -1 5 GLU n -1 6 LEU n -1 7 LEU n -1 8 VAL n -1 9 ASN n -1 10 THR n -1 11 LYS n -1 12 SER n -1 13 GLY n -1 14 LYS n -1 15 VAL n -1 16 MET n -1 17 GLY n -1 18 THR n -1 19 ARG n -1 20 VAL n -1 21 PRO n -1 22 VAL n -1 23 LEU n -1 24 SER n -1 25 SER n -1 26 HIS n -1 27 ILE n -1 28 SER n -1 29 ALA n -1 30 PHE n -1 31 LEU n -1 32 GLY n -1 33 ILE n -1 34 PRO n -1 35 PHE n -1 36 ALA n -1 37 GLU n -1 38 PRO n -1 39 PRO n -1 40 VAL n -1 41 GLY n -1 42 ASN n -1 43 MET n -1 44 ARG n -1 45 PHE n -1 46 ARG n -1 47 ARG n -1 48 PRO n -1 49 GLU n -1 50 PRO n -1 51 LYS n -1 52 LYS n -1 53 PRO n -1 54 TRP n -1 55 SER n -1 56 GLY n -1 57 VAL n -1 58 TRP n -1 59 ASN n -1 60 ALA n -1 61 SER n -1 62 THR n -1 63 TYR n -1 64 PRO n -1 65 ASN n -1 66 ASN n -1 67 CYS n -1 68 GLN n -1 69 GLN n -1 70 TYR n -1 71 VAL n -1 72 ASP n -1 73 GLU n -1 74 GLN n -1 75 PHE n -1 76 PRO n -1 77 GLY n -1 78 PHE n -1 79 SER n -1 80 GLY n -1 81 SER n -1 82 GLU n -1 83 MET n -1 84 TRP n -1 85 ASN n -1 86 PRO n -1 87 ASN n -1 88 ARG n -1 89 GLU n -1 90 MET n -1 91 SER n -1 92 GLU n -1 93 ASP n -1 94 CYS n -1 95 LEU n -1 96 TYR n -1 97 LEU n -1 98 ASN n -1 99 ILE n -1 100 TRP n -1 101 VAL n -1 102 PRO n -1 103 SER n -1 104 PRO n -1 105 ARG n -1 106 PRO n -1 107 LYS n -1 108 SER n -1 109 THR n -1 110 THR n -1 111 VAL n -1 112 MET n -1 113 VAL n -1 114 TRP n -1 115 ILE n -1 116 TYR n -1 117 GLY n -1 118 GLY n -1 119 GLY n -1 120 PHE n -1 121 TYR n -1 122 SER n -1 123 GLY n -1 124 SER n -1 125 SER n -1 126 THR n -1 127 LEU n -1 128 ASP n -1 129 VAL n -1 130 TYR n -1 131 ASN n -1 132 GLY n -1 133 LYS n -1 134 TYR n -1 135 LEU n -1 136 ALA n -1 137 TYR n -1 138 THR n -1 139 GLU n -1 140 GLU n -1 141 VAL n -1 142 VAL n -1 143 LEU n -1 144 VAL n -1 145 SER n -1 146 LEU n -1 147 SER n -1 148 TYR n -1 149 ARG n -1 150 VAL n -1 151 GLY n -1 152 ALA n -1 153 PHE n -1 154 GLY n -1 155 PHE n -1 156 LEU n -1 157 ALA n -1 158 LEU n -1 159 HIS n -1 160 GLY n -1 161 SER n -1 162 GLN n -1 163 GLU n -1 164 ALA n -1 165 PRO n -1 166 GLY n -1 167 ASN n -1 168 VAL n -1 169 GLY n -1 170 LEU n -1 171 LEU n -1 172 ASP n -1 173 GLN n -1 174 ARG n -1 175 MET n -1 176 ALA n -1 177 LEU n -1 178 GLN n -1 179 TRP n -1 180 VAL n -1 181 HIS n -1 182 ASP n -1 183 ASN n -1 184 ILE n -1 185 GLN n -1 186 PHE n -1 187 PHE n -1 188 GLY n -1 189 GLY n -1 190 ASP n -1 191 PRO n -1 192 LYS n -1 193 THR n -1 194 VAL n -1 195 THR n -1 196 ILE n -1 197 PHE n -1 198 GLY n -1 199 GLU n -1 200 SER n -1 201 ALA n -1 202 GLY n -1 203 GLY n -1 204 ALA n -1 205 SER n -1 206 VAL n -1 207 GLY n -1 208 MET n -1 209 HIS n -1 210 ILE n -1 211 LEU n -1 212 SER n -1 213 PRO n -1 214 GLY n -1 215 SER n -1 216 ARG n -1 217 ASP n -1 218 LEU n -1 219 PHE n -1 220 ARG n -1 221 ARG n -1 222 ALA n -1 223 ILE n -1 224 LEU n -1 225 GLN n -1 226 SER n -1 227 GLY n -1 228 SER n -1 229 PRO n -1 230 ASN n -1 231 CYS n -1 232 PRO n -1 233 TRP n -1 234 ALA n -1 235 SER n -1 236 VAL n -1 237 SER n -1 238 VAL n -1 239 ALA n -1 240 GLU n -1 241 GLY n -1 242 ARG n -1 243 ARG n -1 244 ARG n -1 245 ALA n -1 246 VAL n -1 247 GLU n -1 248 LEU n -1 249 GLY n -1 250 ARG n -1 251 ASN n -1 252 LEU n -1 253 ASN n -1 254 CYS n -1 255 ASN n -1 256 LEU n -1 257 ASN n -1 258 SER n -1 259 ASP n -1 260 GLU n -1 261 GLU n -1 262 LEU n -1 263 ILE n -1 264 HIS n -1 265 CYS n -1 266 LEU n -1 267 ARG n -1 268 GLU n -1 269 LYS n -1 270 LYS n -1 271 PRO n -1 272 GLN n -1 273 GLU n -1 274 LEU n -1 275 ILE n -1 276 ASP n -1 277 VAL n -1 278 GLU n -1 279 TRP n -1 280 ASN n -1 281 VAL n -1 282 LEU n -1 283 PRO n -1 284 PHE n -1 285 ASP n -1 286 SER n -1 287 ILE n -1 288 PHE n -1 289 ARG n -1 290 PHE n -1 291 SER n -1 292 PHE n -1 293 VAL n -1 294 PRO n -1 295 VAL n -1 296 ILE n -1 297 ASP n -1 298 GLY n -1 299 GLU n -1 300 PHE n -1 301 PHE n -1 302 PRO n -1 303 THR n -1 304 SER n -1 305 LEU n -1 306 GLU n -1 307 SER n -1 308 MET n -1 309 LEU n -1 310 ASN n -1 311 SER n -1 312 GLY n -1 313 ASN n -1 314 PHE n -1 315 LYS n -1 316 LYS n -1 317 THR n -1 318 GLN n -1 319 ILE n -1 320 LEU n -1 321 LEU n -1 322 GLY n -1 323 VAL n -1 324 ASN n -1 325 LYS n -1 326 ASP n -1 327 GLU n -1 328 GLY n -1 329 SER n -1 330 PHE n -1 331 PHE n -1 332 LEU n -1 333 LEU n -1 334 TYR n -1 335 GLY n -1 336 ALA n -1 337 PRO n -1 338 GLY n -1 339 PHE n -1 340 SER n -1 341 LYS n -1 342 ASP n -1 343 SER n -1 344 GLU n -1 345 SER n -1 346 LYS n -1 347 ILE n -1 348 SER n -1 349 ARG n -1 350 GLU n -1 351 ASP n -1 352 PHE n -1 353 MET n -1 354 SER n -1 355 GLY n -1 356 VAL n -1 357 LYS n -1 358 LEU n -1 359 SER n -1 360 VAL n -1 361 PRO n -1 362 HIS n -1 363 ALA n -1 364 ASN n -1 365 ASP n -1 366 LEU n -1 367 GLY n -1 368 LEU n -1 369 ASP n -1 370 ALA n -1 371 VAL n -1 372 THR n -1 373 LEU n -1 374 GLN n -1 375 TYR n -1 376 THR n -1 377 ASP n -1 378 TRP n -1 379 MET n -1 380 ASP n -1 381 ASP n -1 382 ASN n -1 383 ASN n -1 384 GLY n -1 385 ILE n -1 386 LYS n -1 387 ASN n -1 388 ARG n -1 389 ASP n -1 390 GLY n -1 391 LEU n -1 392 ASP n -1 393 ASP n -1 394 ILE n -1 395 VAL n -1 396 GLY n -1 397 ASP n -1 398 HIS n -1 399 ASN n -1 400 VAL n -1 401 ILE n -1 402 CYS n -1 403 PRO n -1 404 LEU n -1 405 MET n -1 406 HIS n -1 407 PHE n -1 408 VAL n -1 409 ASN n -1 410 LYS n -1 411 TYR n -1 412 THR n -1 413 LYS n -1 414 PHE n -1 415 GLY n -1 416 ASN n -1 417 GLY n -1 418 THR n -1 419 TYR n -1 420 LEU n -1 421 TYR n -1 422 PHE n -1 423 PHE n -1 424 ASN n -1 425 HIS n -1 426 ARG n -1 427 ALA n -1 428 SER n -1 429 ASN n -1 430 LEU n -1 431 VAL n -1 432 TRP n -1 433 PRO n -1 434 GLU n -1 435 TRP n -1 436 MET n -1 437 GLY n -1 438 VAL n -1 439 ILE n -1 440 HIS n -1 441 GLY n -1 442 TYR n -1 443 GLU n -1 444 ILE n -1 445 GLU n -1 446 PHE n -1 447 VAL n -1 448 PHE n -1 449 GLY n -1 450 LEU n -1 451 PRO n -1 452 LEU n -1 453 VAL n -1 454 LYS n -1 455 GLU n -1 456 LEU n -1 457 ASN n -1 458 TYR n -1 459 THR n -1 460 ALA n -1 461 GLU n -1 462 GLU n -1 463 GLU n -1 464 ALA n -1 465 LEU n -1 466 SER n -1 467 ARG n -1 468 ARG n -1 469 ILE n -1 470 MET n -1 471 HIS n -1 472 TYR n -1 473 TRP n -1 474 ALA n -1 475 THR n -1 476 PHE n -1 477 ALA n -1 478 LYS n -1 479 THR n -1 480 GLY n -1 481 ASN n -1 482 PRO n -1 483 ASN n -1 484 GLU n -1 485 PRO n -1 486 HIS n -1 487 SER n -1 488 GLN n -1 489 GLU n -1 490 SER n -1 491 LYS n -1 492 TRP n -1 493 PRO n -1 494 LEU n -1 495 PHE n -1 496 THR n -1 497 THR n -1 498 LYS n -1 499 GLU n -1 500 GLN n -1 501 LYS n -1 502 PHE n -1 503 ILE n -1 504 ASP n -1 505 LEU n -1 506 ASN n -1 507 THR n -1 508 GLU n -1 509 PRO n -1 510 MET n -1 511 LYS n -1 512 VAL n -1 513 HIS n -1 514 GLN n -1 515 ARG n -1 516 LEU n -1 517 ARG n -1 518 VAL n -1 519 GLN n -1 520 MET n -1 521 CYS n -1 522 VAL n -1 523 PHE n -1 524 TRP n -1 525 ASN n -1 526 GLN n -1 527 PHE n -1 528 LEU n -1 529 PRO n -1 530 LYS n -1 531 LEU n -1 532 LEU n -1 533 ASN n -1 534 ALA n -1 535 THR n -1 536 GLU n -1 537 THR n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ASP 1 +1 n ASP 2 +1 n HIS 3 +1 n SER 4 +1 n GLU 5 +1 n LEU 6 +1 n LEU 7 +1 n VAL 8 +1 n ASN 9 +1 n THR 10 +1 n LYS 11 +1 n SER 12 +1 n GLY 13 +1 n LYS 14 +1 n VAL 15 +1 n MET 16 +1 n GLY 17 +1 n THR 18 +1 n ARG 19 +1 n VAL 20 +1 n PRO 21 +1 n VAL 22 +1 n LEU 23 +1 n SER 24 +1 n SER 25 +1 n HIS 26 +1 n ILE 27 +1 n SER 28 +1 n ALA 29 +1 n PHE 30 +1 n LEU 31 +1 n GLY 32 +1 n ILE 33 +1 n PRO 34 +1 n PHE 35 +1 n ALA 36 +1 n GLU 37 +1 n PRO 38 +1 n PRO 39 +1 n VAL 40 +1 n GLY 41 +1 n ASN 42 +1 n MET 43 +1 n ARG 44 +1 n PHE 45 +1 n ARG 46 +1 n ARG 47 +1 n PRO 48 +1 n GLU 49 +1 n PRO 50 +1 n LYS 51 +1 n LYS 52 +1 n PRO 53 +1 n TRP 54 +1 n SER 55 +1 n GLY 56 +1 n VAL 57 +1 n TRP 58 +1 n ASN 59 +1 n ALA 60 +1 n SER 61 +1 n THR 62 +1 n TYR 63 +1 n PRO 64 +1 n ASN 65 +1 n ASN 66 +1 n CYS 67 +1 n GLN 68 +1 n GLN 69 +1 n TYR 70 +1 n VAL 71 +1 n ASP 72 +1 n GLU 73 +1 n GLN 74 +1 n PHE 75 +1 n PRO 76 +1 n GLY 77 +1 n PHE 78 +1 n SER 79 +1 n GLY 80 +1 n SER 81 +1 n GLU 82 +1 n MET 83 +1 n TRP 84 +1 n ASN 85 +1 n PRO 86 +1 n ASN 87 +1 n ARG 88 +1 n GLU 89 +1 n MET 90 +1 n SER 91 +1 n GLU 92 +1 n ASP 93 +1 n CYS 94 +1 n LEU 95 +1 n TYR 96 +1 n LEU 97 +1 n ASN 98 +1 n ILE 99 +1 n TRP 100 +1 n VAL 101 +1 n PRO 102 +1 n SER 103 +1 n PRO 104 +1 n ARG 105 +1 n PRO 106 +1 n LYS 107 +1 n SER 108 +1 n THR 109 +1 n THR 110 +1 n VAL 111 +1 n MET 112 +1 n VAL 113 +1 n TRP 114 +1 n ILE 115 +1 n TYR 116 +1 n GLY 117 +1 n GLY 118 +1 n GLY 119 +1 n PHE 120 +1 n TYR 121 +1 n SER 122 +1 n GLY 123 +1 n SER 124 +1 n SER 125 +1 n THR 126 +1 n LEU 127 +1 n ASP 128 +1 n VAL 129 +1 n TYR 130 +1 n ASN 131 +1 n GLY 132 +1 n LYS 133 +1 n TYR 134 +1 n LEU 135 +1 n ALA 136 +1 n TYR 137 +1 n THR 138 +1 n GLU 139 +1 n GLU 140 +1 n VAL 141 +1 n VAL 142 +1 n LEU 143 +1 n VAL 144 +1 n SER 145 +1 n LEU 146 +1 n SER 147 +1 n TYR 148 +1 n ARG 149 +1 n VAL 150 +1 n GLY 151 +1 n ALA 152 +1 n PHE 153 +1 n GLY 154 +1 n PHE 155 +1 n LEU 156 +1 n ALA 157 +1 n LEU 158 +1 n HIS 159 +1 n GLY 160 +1 n SER 161 +1 n GLN 162 +1 n GLU 163 +1 n ALA 164 +1 n PRO 165 +1 n GLY 166 +1 n ASN 167 +1 n VAL 168 +1 n GLY 169 +1 n LEU 170 +1 n LEU 171 +1 n ASP 172 +1 n GLN 173 +1 n ARG 174 +1 n MET 175 +1 n ALA 176 +1 n LEU 177 +1 n GLN 178 +1 n TRP 179 +1 n VAL 180 +1 n HIS 181 +1 n ASP 182 +1 n ASN 183 +1 n ILE 184 +1 n GLN 185 +1 n PHE 186 +1 n PHE 187 +1 n GLY 188 +1 n GLY 189 +1 n ASP 190 +1 n PRO 191 +1 n LYS 192 +1 n THR 193 +1 n VAL 194 +1 n THR 195 +1 n ILE 196 +1 n PHE 197 +1 n GLY 198 +1 n GLU 199 +1 n SER 200 +1 n ALA 201 +1 n GLY 202 +1 n GLY 203 +1 n ALA 204 +1 n SER 205 +1 n VAL 206 +1 n GLY 207 +1 n MET 208 +1 n HIS 209 +1 n ILE 210 +1 n LEU 211 +1 n SER 212 +1 n PRO 213 +1 n GLY 214 +1 n SER 215 +1 n ARG 216 +1 n ASP 217 +1 n LEU 218 +1 n PHE 219 +1 n ARG 220 +1 n ARG 221 +1 n ALA 222 +1 n ILE 223 +1 n LEU 224 +1 n GLN 225 +1 n SER 226 +1 n GLY 227 +1 n SER 228 +1 n PRO 229 +1 n ASN 230 +1 n CYS 231 +1 n PRO 232 +1 n TRP 233 +1 n ALA 234 +1 n SER 235 +1 n VAL 236 +1 n SER 237 +1 n VAL 238 +1 n ALA 239 +1 n GLU 240 +1 n GLY 241 +1 n ARG 242 +1 n ARG 243 +1 n ARG 244 +1 n ALA 245 +1 n VAL 246 +1 n GLU 247 +1 n LEU 248 +1 n GLY 249 +1 n ARG 250 +1 n ASN 251 +1 n LEU 252 +1 n ASN 253 +1 n CYS 254 +1 n ASN 255 +1 n LEU 256 +1 n ASN 257 +1 n SER 258 +1 n ASP 259 +1 n GLU 260 +1 n GLU 261 +1 n LEU 262 +1 n ILE 263 +1 n HIS 264 +1 n CYS 265 +1 n LEU 266 +1 n ARG 267 +1 n GLU 268 +1 n LYS 269 +1 n LYS 270 +1 n PRO 271 +1 n GLN 272 +1 n GLU 273 +1 n LEU 274 +1 n ILE 275 +1 n ASP 276 +1 n VAL 277 +1 n GLU 278 +1 n TRP 279 +1 n ASN 280 +1 n VAL 281 +1 n LEU 282 +1 n PRO 283 +1 n PHE 284 +1 n ASP 285 +1 n SER 286 +1 n ILE 287 +1 n PHE 288 +1 n ARG 289 +1 n PHE 290 +1 n SER 291 +1 n PHE 292 +1 n VAL 293 +1 n PRO 294 +1 n VAL 295 +1 n ILE 296 +1 n ASP 297 +1 n GLY 298 +1 n GLU 299 +1 n PHE 300 +1 n PHE 301 +1 n PRO 302 +1 n THR 303 +1 n SER 304 +1 n LEU 305 +1 n GLU 306 +1 n SER 307 +1 n MET 308 +1 n LEU 309 +1 n ASN 310 +1 n SER 311 +1 n GLY 312 +1 n ASN 313 +1 n PHE 314 +1 n LYS 315 +1 n LYS 316 +1 n THR 317 +1 n GLN 318 +1 n ILE 319 +1 n LEU 320 +1 n LEU 321 +1 n GLY 322 +1 n VAL 323 +1 n ASN 324 +1 n LYS 325 +1 n ASP 326 +1 n GLU 327 +1 n GLY 328 +1 n SER 329 +1 n PHE 330 +1 n PHE 331 +1 n LEU 332 +1 n LEU 333 +1 n TYR 334 +1 n GLY 335 +1 n ALA 336 +1 n PRO 337 +1 n GLY 338 +1 n PHE 339 +1 n SER 340 +1 n LYS 341 +1 n ASP 342 +1 n SER 343 +1 n GLU 344 +1 n SER 345 +1 n LYS 346 +1 n ILE 347 +1 n SER 348 +1 n ARG 349 +1 n GLU 350 +1 n ASP 351 +1 n PHE 352 +1 n MET 353 +1 n SER 354 +1 n GLY 355 +1 n VAL 356 +1 n LYS 357 +1 n LEU 358 +1 n SER 359 +1 n VAL 360 +1 n PRO 361 +1 n HIS 362 +1 n ALA 363 +1 n ASN 364 +1 n ASP 365 +1 n LEU 366 +1 n GLY 367 +1 n LEU 368 +1 n ASP 369 +1 n ALA 370 +1 n VAL 371 +1 n THR 372 +1 n LEU 373 +1 n GLN 374 +1 n TYR 375 +1 n THR 376 +1 n ASP 377 +1 n TRP 378 +1 n MET 379 +1 n ASP 380 +1 n ASP 381 +1 n ASN 382 +1 n ASN 383 +1 n GLY 384 +1 n ILE 385 +1 n LYS 386 +1 n ASN 387 +1 n ARG 388 +1 n ASP 389 +1 n GLY 390 +1 n LEU 391 +1 n ASP 392 +1 n ASP 393 +1 n ILE 394 +1 n VAL 395 +1 n GLY 396 +1 n ASP 397 +1 n HIS 398 +1 n ASN 399 +1 n VAL 400 +1 n ILE 401 +1 n CYS 402 +1 n PRO 403 +1 n LEU 404 +1 n MET 405 +1 n HIS 406 +1 n PHE 407 +1 n VAL 408 +1 n ASN 409 +1 n LYS 410 +1 n TYR 411 +1 n THR 412 +1 n LYS 413 +1 n PHE 414 +1 n GLY 415 +1 n ASN 416 +1 n GLY 417 +1 n THR 418 +1 n TYR 419 +1 n LEU 420 +1 n TYR 421 +1 n PHE 422 +1 n PHE 423 +1 n ASN 424 +1 n HIS 425 +1 n ARG 426 +1 n ALA 427 +1 n SER 428 +1 n ASN 429 +1 n LEU 430 +1 n VAL 431 +1 n TRP 432 +1 n PRO 433 +1 n GLU 434 +1 n TRP 435 +1 n MET 436 +1 n GLY 437 +1 n VAL 438 +1 n ILE 439 +1 n HIS 440 +1 n GLY 441 +1 n TYR 442 +1 n GLU 443 +1 n ILE 444 +1 n GLU 445 +1 n PHE 446 +1 n VAL 447 +1 n PHE 448 +1 n GLY 449 +1 n LEU 450 +1 n PRO 451 +1 n LEU 452 +1 n VAL 453 +1 n LYS 454 +1 n GLU 455 +1 n LEU 456 +1 n ASN 457 +1 n TYR 458 +1 n THR 459 +1 n ALA 460 +1 n GLU 461 +1 n GLU 462 +1 n GLU 463 +1 n ALA 464 +1 n LEU 465 +1 n SER 466 +1 n ARG 467 +1 n ARG 468 +1 n ILE 469 +1 n MET 470 +1 n HIS 471 +1 n TYR 472 +1 n TRP 473 +1 n ALA 474 +1 n THR 475 +1 n PHE 476 +1 n ALA 477 +1 n LYS 478 +1 n THR 479 +1 n GLY 480 +1 n ASN 481 +1 n PRO 482 +1 n ASN 483 +1 n GLU 484 +1 n PRO 485 +1 n HIS 486 +1 n SER 487 +1 n GLN 488 +1 n GLU 489 +1 n SER 490 +1 n LYS 491 +1 n TRP 492 +1 n PRO 493 +1 n LEU 494 +1 n PHE 495 +1 n THR 496 +1 n THR 497 +1 n LYS 498 +1 n GLU 499 +1 n GLN 500 +1 n LYS 501 +1 n PHE 502 +1 n ILE 503 +1 n ASP 504 +1 n LEU 505 +1 n ASN 506 +1 n THR 507 +1 n GLU 508 +1 n PRO 509 +1 n MET 510 +1 n LYS 511 +1 n VAL 512 +1 n HIS 513 +1 n GLN 514 +1 n ARG 515 +1 n LEU 516 +1 n ARG 517 +1 n VAL 518 +1 n GLN 519 +1 n MET 520 +1 n CYS 521 +1 n VAL 522 +1 n PHE 523 +1 n TRP 524 +1 n ASN 525 +1 n GLN 526 +1 n PHE 527 +1 n LEU 528 +1 n PRO 529 +1 n LYS 530 +1 n LEU 531 +1 n LEU 532 +1 n ASN 533 +1 n ALA 534 +1 n THR 535 +1 n GLU 536 +1 n THR 537 +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Torpedo californica' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ACES_TORCA +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P04058 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWN +ASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTE +EVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF +RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGE +FFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWM +DDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT +AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDG +ELSSSGTSSSKGIIFYVLFSILYLIF +; +_struct_ref.pdbx_db_isoform . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1ACJ +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code . +_struct_ref_seq.seq_align_end 535 +_struct_ref_seq.pdbx_seq_align_end_ins_code . +_struct_ref_seq.pdbx_db_accession P04058 +_struct_ref_seq.db_align_beg 22 +_struct_ref_seq.pdbx_db_align_beg_ins_code . +_struct_ref_seq.db_align_end 556 +_struct_ref_seq.pdbx_db_align_end_ins_code . +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 535 # loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? +'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? +'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? +'C13 H14 N2' 198.264 THA . TACRINE non-polymer ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? +# +_exptl.entry_id 1ACJ +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 4.24 +_exptl_crystal.density_percent_sol 70.97 +_exptl_crystal.description . +_exptl_crystal.F_000 . +_exptl_crystal.preparation . +# +_diffrn.id 1 +_diffrn.ambient_temp . +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l . +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol . +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1 +# +_refine.entry_id 1ACJ +_refine.ls_number_reflns_obs 23213 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 8 +_refine.ls_d_res_high 2.8000000000000003 +_refine.ls_percent_reflns_obs . +_refine.ls_R_factor_obs 0.195 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work 0.195 +_refine.ls_R_factor_R_free . +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free . +_refine.ls_number_reflns_R_free . +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.B_iso_mean . +_refine.aniso_B[1][1] . +_refine.aniso_B[2][2] . +_refine.aniso_B[3][3] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][3] . +_refine.solvent_model_details . +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_ls_cross_valid_method . +_refine.details +;THE STRUCTURE WAS REFINED STARTING FROM NATIVE COORDINATES +USING X-PLOR. 82 WATER MOLECULES ARE INCLUDED. +; +_refine.pdbx_starting_model . +_refine.pdbx_method_to_determine_struct . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.overall_SU_ML . +_refine.overall_SU_B . +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.ls_redundancy_reflns_obs . +_refine.pdbx_overall_phase_error . +_refine.B_iso_min . +_refine.B_iso_max . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.pdbx_solvent_vdw_probe_radii . +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii . +_refine.overall_SU_R_Cruickshank_DPI . +_refine.overall_SU_R_free . +_refine.ls_wR_factor_R_free . +_refine.ls_wR_factor_R_work . +_refine.overall_FOM_free_R_set . +_refine.overall_FOM_work_R_set . +_refine.pdbx_TLS_residual_ADP_flag . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 4095 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 15 +_refine_hist.number_atoms_solvent 82 +_refine_hist.number_atoms_total 4192 +_refine_hist.d_res_high 2.8000000000000003 +_refine_hist.d_res_low 8 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.025 . . . 'X-RAY DIFFRACTION' . +x_bond_d_na . . . . 'X-RAY DIFFRACTION' . +x_bond_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_d . . . . 'X-RAY DIFFRACTION' . +x_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_deg . . . . 'X-RAY DIFFRACTION' . +x_angle_deg_na . . . . 'X-RAY DIFFRACTION' . +x_angle_deg_prot . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_mcbond_it . . . . 'X-RAY DIFFRACTION' . +x_mcangle_it . . . . 'X-RAY DIFFRACTION' . +x_scbond_it . . . . 'X-RAY DIFFRACTION' . +x_scangle_it . . . . 'X-RAY DIFFRACTION' . +# +_struct.entry_id 1ACJ +_struct.title 'QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE' +_struct.pdbx_descriptor . +# +_struct_keywords.entry_id 1ACJ +_struct_keywords.text 'HYDROLASE(CARBOXYLIC ESTERASE)' +_struct_keywords.pdbx_keywords 'HYDROLASE(CARBOXYLIC ESTERASE)' +# +loop_ +_struct_asym.details +_struct_asym.entity_id _struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' -C N Y 3 'Might not contain all original atoms depending on the query used' +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +? 3 C N N +# +_struct_biol.id 1 +_struct_biol.details . +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_entity_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_auth_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.end_label_asym_id +_struct_conf.end_label_entity_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_auth_asym_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +helx_p helx_p1 SER 79 . A 1 SER 79 A ASN 85 . A 1 ASN 85 A 1 ? 7 +helx_p helx_p2 GLY 132 . A 1 GLY 132 A GLU 139 . A 1 GLU 139 A 1 ? 8 +helx_p helx_p3 VAL 168 . A 1 VAL 168 A ASN 183 . A 1 ASN 183 A 1 ? 16 +helx_p helx_p4 SER 200 . A 1 SER 200 A LEU 211 . A 1 LEU 211 A 1 ? 12 +helx_p helx_p5 VAL 238 . A 1 VAL 238 A LEU 252 . A 1 LEU 252 A 1 ? 15 +helx_p helx_p6 ASP 259 . A 1 ASP 259 A GLU 268 . A 1 GLU 268 A 1 ? 10 +helx_p helx_p7 PRO 271 . A 1 PRO 271 A GLU 278 . A 1 GLU 278 A 1 ? 8 +helx_p helx_p8 LEU 305 . A 1 LEU 305 A SER 311 . A 1 SER 311 A 1 ? 7 +helx_p helx_p9 SER 329 . A 1 SER 329 A GLY 335 . A 1 GLY 335 A 1 ? 7 +helx_p helx_p10 ARG 349 . A 1 ARG 349 A VAL 360 . A 1 VAL 360 A 1 ? 12 +helx_p helx_p11 ASP 365 . A 1 ASP 365 A THR 376 . A 1 THR 376 A 1 ? 12 +helx_p helx_p12 GLY 384 . A 1 GLY 384 A TYR 411 . A 1 TYR 411 A 1 ? 28 +helx_p helx_p13 GLU 443 . A 1 GLU 443 A PHE 448 . A 1 PHE 448 A 1 ? 6 +helx_p helx_p14 ALA 460 . A 1 ALA 460 A THR 479 . A 1 THR 479 A 1 ? 20 +helx_p helx_p15 VAL 518 . A 1 VAL 518 A ALA 534 . A 1 ALA 534 A 1 ? 17 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . # loop_ -_struct_conn.id _struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id +_struct_conn.details +_struct_conn.id _struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details +_struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order -disulf1 disulf ? A CYS 67 SG ? ? ? 1_555 A CYS 94 SG ? ? A CYS 67 A CYS 94 1_555 ? ? ? ? ? ? ? 2.040 ? -disulf2 disulf ? A CYS 254 SG ? ? ? 1_555 A CYS 265 SG ? ? A CYS 254 A CYS 265 1_555 ? ? ? ? ? ? ? 2.032 ? -disulf3 disulf ? A CYS 402 SG ? ? ? 1_555 A CYS 521 SG ? ? A CYS 402 A CYS 521 1_555 ? ? ? ? ? ? ? 2.068 ? +disulf ? disulf1 A SG CYS 67 A CYS 67 1_555 A SG CYS 94 A CYS 94 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.04 ? +disulf ? disulf2 A SG CYS 254 A CYS 254 1_555 A SG CYS 265 A CYS 265 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.032 ? +disulf ? disulf3 A SG CYS 402 A CYS 402 1_555 A SG CYS 521 A CYS 521 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.068 ? # -_struct_conn_type.id disulf -_struct_conn_type.criteria ? -_struct_conn_type.reference ? +_struct_conn_type.criteria ? +_struct_conn_type.id disulf +_struct_conn_type.reference ? +# +_struct_mon_prot_cis.pdbx_id 1 +_struct_mon_prot_cis.label_comp_id SER +_struct_mon_prot_cis.label_seq_id 103 +_struct_mon_prot_cis.label_asym_id A +_struct_mon_prot_cis.label_alt_id . +_struct_mon_prot_cis.pdbx_PDB_ins_code . +_struct_mon_prot_cis.auth_comp_id SER +_struct_mon_prot_cis.auth_seq_id 103 +_struct_mon_prot_cis.auth_asym_id A +_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_label_seq_id_2 104 +_struct_mon_prot_cis.pdbx_label_asym_id_2 A +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 . +_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_auth_seq_id_2 104 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 A +_struct_mon_prot_cis.pdbx_PDB_model_num 1 +_struct_mon_prot_cis.pdbx_omega_angle -4.12 # loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ARG N 1 N N CA SING -ARG N 2 N N H SING -ARG N 3 N N H2 SING -ARG N 4 N CA C SING -ARG N 5 N CA CB SING -ARG N 6 N CA HA SING -ARG N 7 N C O DOUB -ARG N 8 N C OXT SING -ARG N 9 N CB CG SING -ARG N 10 N CB HB2 SING -ARG N 11 N CB HB3 SING -ARG N 12 N CG CD SING -ARG N 13 N CG HG2 SING -ARG N 14 N CG HG3 SING -ARG N 15 N CD NE SING -ARG N 16 N CD HD2 SING -ARG N 17 N CD HD3 SING -ARG N 18 N NE CZ SING -ARG N 19 N NE HE SING -ARG N 20 N CZ NH1 SING -ARG N 21 N CZ NH2 DOUB -ARG N 22 N NH1 HH11 SING -ARG N 23 N NH1 HH12 SING -ARG N 24 N NH2 HH21 SING -ARG N 25 N NH2 HH22 SING -ARG N 26 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -ASP N 1 N N CA SING -ASP N 2 N N H SING -ASP N 3 N N H2 SING -ASP N 4 N CA C SING -ASP N 5 N CA CB SING -ASP N 6 N CA HA SING -ASP N 7 N C O DOUB -ASP N 8 N C OXT SING -ASP N 9 N CB CG SING -ASP N 10 N CB HB2 SING -ASP N 11 N CB HB3 SING -ASP N 12 N CG OD1 DOUB -ASP N 13 N CG OD2 SING -ASP N 14 N OD2 HD2 SING -ASP N 15 N OXT HXT SING -CYS N 1 N N CA SING -CYS N 2 N N H SING -CYS N 3 N N H2 SING -CYS N 4 N CA C SING -CYS N 5 N CA CB SING -CYS N 6 N CA HA SING -CYS N 7 N C O DOUB -CYS N 8 N C OXT SING -CYS N 9 N CB SG SING -CYS N 10 N CB HB2 SING -CYS N 11 N CB HB3 SING -CYS N 12 N SG HG SING -CYS N 13 N OXT HXT SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HIS N 1 N N CA SING -HIS N 2 N N H SING -HIS N 3 N N H2 SING -HIS N 4 N CA C SING -HIS N 5 N CA CB SING -HIS N 6 N CA HA SING -HIS N 7 N C O DOUB -HIS N 8 N C OXT SING -HIS N 9 N CB CG SING -HIS N 10 N CB HB2 SING -HIS N 11 N CB HB3 SING -HIS N 12 Y CG ND1 SING -HIS N 13 Y CG CD2 DOUB -HIS N 14 Y ND1 CE1 DOUB -HIS N 15 N ND1 HD1 SING -HIS N 16 Y CD2 NE2 SING -HIS N 17 N CD2 HD2 SING -HIS N 18 Y CE1 NE2 SING -HIS N 19 N CE1 HE1 SING -HIS N 20 N NE2 HE2 SING -HIS N 21 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -MET N 1 N N CA SING -MET N 2 N N H SING -MET N 3 N N H2 SING -MET N 4 N CA C SING -MET N 5 N CA CB SING -MET N 6 N CA HA SING -MET N 7 N C O DOUB -MET N 8 N C OXT SING -MET N 9 N CB CG SING -MET N 10 N CB HB2 SING -MET N 11 N CB HB3 SING -MET N 12 N CG SD SING -MET N 13 N CG HG2 SING -MET N 14 N CG HG3 SING -MET N 15 N SD CE SING -MET N 16 N CE HE1 SING -MET N 17 N CE HE2 SING -MET N 18 N CE HE3 SING -MET N 19 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -PRO N 1 N N CA SING -PRO N 2 N N CD SING -PRO N 3 N N H SING -PRO N 4 N CA C SING -PRO N 5 N CA CB SING -PRO N 6 N CA HA SING -PRO N 7 N C O DOUB -PRO N 8 N C OXT SING -PRO N 9 N CB CG SING -PRO N 10 N CB HB2 SING -PRO N 11 N CB HB3 SING -PRO N 12 N CG CD SING -PRO N 13 N CG HG2 SING -PRO N 14 N CG HG3 SING -PRO N 15 N CD HD2 SING -PRO N 16 N CD HD3 SING -PRO N 17 N OXT HXT SING -SER N 1 N N CA SING -SER N 2 N N H SING -SER N 3 N N H2 SING -SER N 4 N CA C SING -SER N 5 N CA CB SING -SER N 6 N CA HA SING -SER N 7 N C O DOUB -SER N 8 N C OXT SING -SER N 9 N CB OG SING -SER N 10 N CB HB2 SING -SER N 11 N CB HB3 SING -SER N 12 N OG HG SING -SER N 13 N OXT HXT SING -THA N 1 Y C1 C2 DOUB -THA N 2 Y C1 C6 SING -THA N 3 N C1 H1 SING -THA N 4 Y C2 C3 SING -THA N 5 N C2 H2 SING -THA N 6 Y C3 C4 DOUB -THA N 7 Y C3 N7 SING -THA N 8 Y C4 C5 SING -THA N 9 Y C4 C10 SING -THA N 10 Y C5 C6 DOUB -THA N 11 N C5 H5 SING -THA N 12 N C6 H6 SING -THA N 13 Y N7 C8 DOUB -THA N 14 Y C8 C9 SING -THA N 15 N C8 C11 SING -THA N 16 Y C9 C10 DOUB -THA N 17 N C9 C14 SING -THA N 18 N C10 N15 SING -THA N 19 N C11 C12 SING -THA N 20 N C11 H111 SING -THA N 21 N C11 H112 SING -THA N 22 N C12 C13 SING -THA N 23 N C12 H121 SING -THA N 24 N C12 H122 SING -THA N 25 N C13 C14 SING -THA N 26 N C13 H131 SING -THA N 27 N C13 H132 SING -THA N 28 N C14 H141 SING -THA N 29 N C14 H142 SING -THA N 30 N N15 HN51 SING -THA N 31 N N15 HN52 SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TRP N 1 N N CA SING -TRP N 2 N N H SING -TRP N 3 N N H2 SING -TRP N 4 N CA C SING -TRP N 5 N CA CB SING -TRP N 6 N CA HA SING -TRP N 7 N C O DOUB -TRP N 8 N C OXT SING -TRP N 9 N CB CG SING -TRP N 10 N CB HB2 SING -TRP N 11 N CB HB3 SING -TRP N 12 Y CG CD1 DOUB -TRP N 13 Y CG CD2 SING -TRP N 14 Y CD1 NE1 SING -TRP N 15 N CD1 HD1 SING -TRP N 16 Y CD2 CE2 DOUB -TRP N 17 Y CD2 CE3 SING -TRP N 18 Y NE1 CE2 SING -TRP N 19 N NE1 HE1 SING -TRP N 20 Y CE2 CZ2 SING -TRP N 21 Y CE3 CZ3 DOUB -TRP N 22 N CE3 HE3 SING -TRP N 23 Y CZ2 CH2 DOUB -TRP N 24 N CZ2 HZ2 SING -TRP N 25 Y CZ3 CH2 SING -TRP N 26 N CZ3 HZ3 SING -TRP N 27 N CH2 HH2 SING -TRP N 28 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +S1 . 12 . +S2 . 2 . # -_atom_sites.entry_id 1ACJ -_atom_sites.fract_transf_matrix[1][1] 0.008795 -_atom_sites.fract_transf_matrix[1][2] 0.005078 -_atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 -_atom_sites.fract_transf_matrix[2][1] 0 -_atom_sites.fract_transf_matrix[2][2] 0.010156 -_atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 -_atom_sites.fract_transf_matrix[3][1] 0 -_atom_sites.fract_transf_matrix[3][2] 0 -_atom_sites.fract_transf_matrix[3][3] 0.007241 -_atom_sites.fract_transf_vector[3] 0 +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +S1 1 2 . anti-parallel +S1 2 3 . anti-parallel +S1 3 4 . anti-parallel +S1 4 5 . anti-parallel +S1 5 6 . anti-parallel +S1 6 7 . anti-parallel +S1 7 8 . parallel +S1 8 9 . parallel +S1 9 10 . parallel +S1 10 11 . parallel +S1 11 12 . parallel +S2 1 2 . anti-parallel # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 THA 1 999 999 THA THA A . -C 3 HOH 1 601 601 HOH HOH A . -C 3 HOH 2 602 602 HOH HOH A . -C 3 HOH 3 603 603 HOH HOH A . -C 3 HOH 4 604 604 HOH HOH A . -C 3 HOH 5 605 605 HOH HOH A . -C 3 HOH 6 606 606 HOH HOH A . -C 3 HOH 7 607 607 HOH HOH A . -C 3 HOH 8 608 608 HOH HOH A . -C 3 HOH 9 609 609 HOH HOH A . -C 3 HOH 10 610 610 HOH HOH A . -C 3 HOH 11 611 611 HOH HOH A . -C 3 HOH 12 612 612 HOH HOH A . -C 3 HOH 13 613 613 HOH HOH A . -C 3 HOH 14 614 614 HOH HOH A . -C 3 HOH 15 615 615 HOH HOH A . -C 3 HOH 16 616 616 HOH HOH A . -C 3 HOH 17 617 617 HOH HOH A . -C 3 HOH 18 618 618 HOH HOH A . -C 3 HOH 19 619 619 HOH HOH A . -C 3 HOH 20 620 620 HOH HOH A . -C 3 HOH 21 621 621 HOH HOH A . -C 3 HOH 22 622 622 HOH HOH A . -C 3 HOH 23 623 623 HOH HOH A . -C 3 HOH 24 624 624 HOH HOH A . -C 3 HOH 25 625 625 HOH HOH A . -C 3 HOH 26 626 626 HOH HOH A . -C 3 HOH 27 627 627 HOH HOH A . -C 3 HOH 28 628 628 HOH HOH A . -C 3 HOH 29 629 629 HOH HOH A . -C 3 HOH 30 630 630 HOH HOH A . -C 3 HOH 31 631 631 HOH HOH A . -C 3 HOH 32 632 632 HOH HOH A . -C 3 HOH 33 633 633 HOH HOH A . -C 3 HOH 34 634 634 HOH HOH A . -C 3 HOH 35 635 635 HOH HOH A . -C 3 HOH 36 636 636 HOH HOH A . -C 3 HOH 37 637 637 HOH HOH A . -C 3 HOH 38 638 638 HOH HOH A . -C 3 HOH 39 639 639 HOH HOH A . -C 3 HOH 40 640 640 HOH HOH A . -C 3 HOH 41 641 641 HOH HOH A . -C 3 HOH 42 642 642 HOH HOH A . -C 3 HOH 43 643 643 HOH HOH A . -C 3 HOH 44 644 644 HOH HOH A . -C 3 HOH 45 645 645 HOH HOH A . -C 3 HOH 46 646 646 HOH HOH A . -C 3 HOH 47 647 647 HOH HOH A . -C 3 HOH 48 648 648 HOH HOH A . -C 3 HOH 49 649 649 HOH HOH A . -C 3 HOH 50 650 650 HOH HOH A . -C 3 HOH 51 651 651 HOH HOH A . -C 3 HOH 52 652 652 HOH HOH A . -C 3 HOH 53 653 653 HOH HOH A . -C 3 HOH 54 654 654 HOH HOH A . -C 3 HOH 55 655 655 HOH HOH A . -C 3 HOH 56 656 656 HOH HOH A . -C 3 HOH 57 657 657 HOH HOH A . -C 3 HOH 58 658 658 HOH HOH A . -C 3 HOH 59 659 659 HOH HOH A . -C 3 HOH 60 660 660 HOH HOH A . -C 3 HOH 61 661 661 HOH HOH A . -C 3 HOH 62 662 662 HOH HOH A . -C 3 HOH 63 663 663 HOH HOH A . -C 3 HOH 64 664 664 HOH HOH A . -C 3 HOH 65 665 665 HOH HOH A . -C 3 HOH 66 666 666 HOH HOH A . -C 3 HOH 67 667 667 HOH HOH A . -C 3 HOH 68 668 668 HOH HOH A . -C 3 HOH 69 669 669 HOH HOH A . -C 3 HOH 70 670 670 HOH HOH A . -C 3 HOH 71 671 671 HOH HOH A . -C 3 HOH 72 672 672 HOH HOH A . -C 3 HOH 73 673 673 HOH HOH A . -C 3 HOH 74 674 674 HOH HOH A . -C 3 HOH 75 675 675 HOH HOH A . -C 3 HOH 76 676 676 HOH HOH A . -C 3 HOH 77 677 677 HOH HOH A . -C 3 HOH 78 678 678 HOH HOH A . -C 3 HOH 79 679 679 HOH HOH A . -C 3 HOH 80 680 680 HOH HOH A . -C 3 HOH 81 681 681 HOH HOH A . -C 3 HOH 82 682 682 HOH HOH A . +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_entity_id +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_entity_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_seq_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.symmetry +S1 1 LEU 6 . A 1 LEU 6 A THR 10 . A 1 THR 10 A ? +S1 2 GLY 13 . A 1 GLY 13 A MET 16 . A 1 MET 16 A ? +S1 3 THR 18 . A 1 THR 18 A PRO 21 . A 1 PRO 21 A ? +S1 4 HIS 26 . A 1 HIS 26 A PRO 34 . A 1 PRO 34 A ? +S1 5 VAL 57 . A 1 VAL 57 A ALA 60 . A 1 ALA 60 A ? +S1 6 TYR 96 . A 1 TYR 96 A PRO 102 . A 1 PRO 102 A ? +S1 7 THR 109 . A 1 THR 109 A TYR 116 . A 1 TYR 116 A ? +S1 8 VAL 142 . A 1 VAL 142 A SER 147 . A 1 SER 147 A ? +S1 9 THR 193 . A 1 THR 193 A GLU 199 . A 1 GLU 199 A ? +S1 10 ARG 220 . A 1 ARG 220 A SER 226 . A 1 SER 226 A ? +S1 11 GLN 318 . A 1 GLN 318 A GLY 328 . A 1 GLY 328 A ? +S1 12 GLY 417 . A 1 GLY 417 A PHE 423 . A 1 PHE 423 A ? +S2 13 PHE 502 . A 1 PHE 502 A LEU 505 . A 1 LEU 505 A ? +S2 14 MET 510 . A 1 MET 510 A GLN 514 . A 1 GLN 514 A ? +# +loop_ +_struct_site.details +_struct_site.id +_struct_site.pdbx_num_residues +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +? THA 4 Unknown ? ? ? ? +'BINDING SITE FOR RESIDUE THA A 999' AC1 7 Software A THA 999 ? +# +loop_ +_struct_site_gen.details +_struct_site_gen.id +_struct_site_gen.label_alt_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_comp_id +_struct_site_gen.label_seq_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_seq_id +_struct_site_gen.site_id +_struct_site_gen.symmetry +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.pdbx_num_res +? 1 ? A . SER 200 A SER 200 THA 1_555 ? 4 +? 2 ? A . HIS 440 A HIS 440 THA 1_555 ? 4 +? 3 ? A . GLU 327 A GLU 327 THA 1_555 ? 4 +? 4 ? B . THA . A THA 999 THA 1_555 ? 4 +? 5 ? A . TRP 84 A TRP 84 AC1 1_555 ? 7 +? 6 ? A . GLY 118 A GLY 118 AC1 1_555 ? 7 +? 7 ? A . GLU 199 A GLU 199 AC1 1_555 ? 7 +? 8 ? A . PHE 330 A PHE 330 AC1 1_555 ? 7 +? 9 ? A . TRP 432 A TRP 432 AC1 1_555 ? 7 +? 10 ? A . HIS 440 A HIS 440 AC1 1_555 ? 7 +? 11 ? A . GLY 441 A GLY 441 AC1 1_555 ? 7 +# +_database_PDB_matrix.entry_id 1ACJ +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 +# +_atom_sites.entry_id 1ACJ +_atom_sites.fract_transf_matrix[1][1] 0.008795 +_atom_sites.fract_transf_matrix[1][2] 0.005078 +_atom_sites.fract_transf_matrix[1][3] 0 +_atom_sites.fract_transf_matrix[2][1] 0 +_atom_sites.fract_transf_matrix[2][2] 0.010156 +_atom_sites.fract_transf_matrix[2][3] 0 +_atom_sites.fract_transf_matrix[3][1] 0 +_atom_sites.fract_transf_matrix[3][2] 0 +_atom_sites.fract_transf_matrix[3][3] 0.007241 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 +_atom_sites.fract_transf_vector[3] 0 +# +loop_ +_atom_sites_footnote.id +_atom_sites_footnote.text +1 'CIS PROLINE - PRO 104' +2 'RESIDUE THA 999 IS BOUND NON-COVALENTLY IN THE ACTIVE SITE.' +# +loop_ +_atom_type.symbol +C +N +O +S # loop_ _ATOM_SITE.group_PDB _ATOM_SITE.id _ATOM_SITE.type_symbol _ATOM_SITE.label_atom_id -_ATOM_SITE.label_alt_id _ATOM_SITE.label_comp_id -_ATOM_SITE.label_asym_id -_ATOM_SITE.label_entity_id _ATOM_SITE.label_seq_id +_ATOM_SITE.label_alt_id _ATOM_SITE.pdbx_PDB_ins_code -_ATOM_SITE.cartn_x +_ATOM_SITE.label_asym_id +_ATOM_SITE.label_entity_id +_ATOM_SITE.Cartn_x _ATOM_SITE.Cartn_y _ATOM_SITE.Cartn_z _ATOM_SITE.occupancy @@ -1316,4205 +1170,5244 @@ _ATOM_SITE.B_iso_or_equiv _ATOM_SITE.pdbx_formal_charge _ATOM_SITE.auth_atom_id _ATOM_SITE.auth_comp_id -_ATOM_SITE.auth_asym_id _ATOM_SITE.auth_seq_id +_ATOM_SITE.auth_asym_id _ATOM_SITE.pdbx_PDB_model_num -ATOM 1 N N . SER A 1 4 . -12.503 89.084 35.13 1 66.28 ? N SER A 4 1 -ATOM 2 C CA . SER A 1 4 . -12.189 87.877 35.866 1 63.52 ? CA SER A 4 1 -ATOM 3 C C . SER A 1 4 . -11.066 88.196 36.842 1 59.52 ? C SER A 4 1 -ATOM 4 O O . SER A 1 4 . -11.26 89.101 37.633 1 57.7 ? O SER A 4 1 -ATOM 5 C CB . SER A 1 4 . -12.025 86.72 34.856 1 67.07 ? CB SER A 4 1 -ATOM 6 O OG . SER A 1 4 . -13.195 86.792 34.018 1 70.02 ? OG SER A 4 1 -ATOM 7 N N . GLU A 1 5 . -9.92 87.515 36.768 1 54.99 ? N GLU A 5 1 -ATOM 8 C CA . GLU A 1 5 . -8.763 87.673 37.662 1 47.42 ? CA GLU A 5 1 -ATOM 9 C C . GLU A 1 5 . -9.082 86.841 38.872 1 43.05 ? C GLU A 5 1 -ATOM 10 O O . GLU A 1 5 . -8.332 85.956 39.236 1 44.4 ? O GLU A 5 1 -ATOM 11 C CB . GLU A 1 5 . -8.315 89.106 38.012 1 47.14 ? CB GLU A 5 1 -ATOM 12 C CG . GLU A 1 5 . -7.047 89.19 38.917 1 51.13 ? CG GLU A 5 1 -ATOM 13 C CD . GLU A 1 5 . -5.714 88.67 38.353 1 52.76 ? CD GLU A 5 1 -ATOM 14 O OE1 . GLU A 1 5 . -5.502 88.765 37.15 1 54.93 ? OE1 GLU A 5 1 -ATOM 15 O OE2 . GLU A 1 5 . -4.88 88.179 39.122 1 56.48 ? OE2 GLU A 5 1 -ATOM 16 N N . LEU A 1 6 . -10.253 87.138 39.444 1 36.79 ? N LEU A 6 1 -ATOM 17 C CA . LEU A 1 6 . -10.748 86.426 40.612 1 32.75 ? CA LEU A 6 1 -ATOM 18 C C . LEU A 1 6 . -11.84 85.431 40.295 1 33.35 ? C LEU A 6 1 -ATOM 19 O O . LEU A 1 6 . -12.296 84.7 41.162 1 35.53 ? O LEU A 6 1 -ATOM 20 C CB . LEU A 1 6 . -11.321 87.429 41.633 1 28.61 ? CB LEU A 6 1 -ATOM 21 C CG . LEU A 1 6 . -10.276 87.885 42.667 1 29.95 ? CG LEU A 6 1 -ATOM 22 C CD1 . LEU A 1 6 . -9.06 88.579 42.04 1 28.52 ? CD1 LEU A 6 1 -ATOM 23 C CD2 . LEU A 1 6 . -10.937 88.762 43.732 1 28.46 ? CD2 LEU A 6 1 -ATOM 24 N N . LEU A 1 7 . -12.302 85.444 39.053 1 33.35 ? N LEU A 7 1 -ATOM 25 C CA . LEU A 1 7 . -13.363 84.515 38.679 1 33.07 ? CA LEU A 7 1 -ATOM 26 C C . LEU A 1 7 . -12.689 83.488 37.822 1 32.11 ? C LEU A 7 1 -ATOM 27 O O . LEU A 1 7 . -12.018 83.906 36.874 1 36.48 ? O LEU A 7 1 -ATOM 28 C CB . LEU A 1 7 . -14.409 85.233 37.811 1 33.65 ? CB LEU A 7 1 -ATOM 29 C CG . LEU A 1 7 . -15.741 84.489 37.662 1 33.73 ? CG LEU A 7 1 -ATOM 30 C CD1 . LEU A 1 7 . -15.669 83.103 37.017 1 34.68 ? CD1 LEU A 7 1 -ATOM 31 C CD2 . LEU A 1 7 . -16.471 84.394 38.993 1 34.9 ? CD2 LEU A 7 1 -ATOM 32 N N . VAL A 1 8 . -12.856 82.204 38.136 1 24.81 ? N VAL A 8 1 -ATOM 33 C CA . VAL A 1 8 . -12.232 81.181 37.334 1 21.36 ? CA VAL A 8 1 -ATOM 34 C C . VAL A 1 8 . -13.261 80.103 37.069 1 25.4 ? C VAL A 8 1 -ATOM 35 O O . VAL A 1 8 . -14.082 79.793 37.921 1 27.94 ? O VAL A 8 1 -ATOM 36 C CB . VAL A 1 8 . -11.015 80.653 38.107 1 15.33 ? CB VAL A 8 1 -ATOM 37 C CG1 . VAL A 1 8 . -10.339 79.451 37.43 1 17.12 ? CG1 VAL A 8 1 -ATOM 38 C CG2 . VAL A 1 8 . -9.983 81.78 38.306 1 14.32 ? CG2 VAL A 8 1 -ATOM 39 N N . ASN A 1 9 . -13.228 79.552 35.849 1 29.47 ? N ASN A 9 1 -ATOM 40 C CA . ASN A 1 9 . -14.133 78.459 35.493 1 33.22 ? CA ASN A 9 1 -ATOM 41 C C . ASN A 1 9 . -13.227 77.276 35.611 1 34.13 ? C ASN A 9 1 -ATOM 42 O O . ASN A 1 9 . -12.125 77.308 35.074 1 35.41 ? O ASN A 9 1 -ATOM 43 C CB . ASN A 1 9 . -14.555 78.386 34.013 1 38.11 ? CB ASN A 9 1 -ATOM 44 C CG . ASN A 1 9 . -15.552 79.424 33.597 1 42.62 ? CG ASN A 9 1 -ATOM 45 O OD1 . ASN A 1 9 . -16.72 79.332 33.924 1 48.35 ? OD1 ASN A 9 1 -ATOM 46 N ND2 . ASN A 1 9 . -15.081 80.421 32.85 1 41.34 ? ND2 ASN A 9 1 -ATOM 47 N N . THR A 1 10 . -13.656 76.26 36.32 1 33.2 ? N THR A 10 1 -ATOM 48 C CA . THR A 1 10 . -12.829 75.086 36.438 1 30.23 ? CA THR A 10 1 -ATOM 49 C C . THR A 1 10 . -13.712 74.031 35.844 1 31.69 ? C THR A 10 1 -ATOM 50 O O . THR A 1 10 . -14.915 74.252 35.715 1 35.98 ? O THR A 10 1 -ATOM 51 C CB . THR A 1 10 . -12.478 74.82 37.913 1 27.41 ? CB THR A 10 1 -ATOM 52 O OG1 . THR A 1 10 . -13.619 74.419 38.674 1 24.65 ? OG1 THR A 10 1 -ATOM 53 C CG2 . THR A 1 10 . -11.894 76.058 38.615 1 27.48 ? CG2 THR A 10 1 -ATOM 54 N N . LYS A 1 11 . -13.156 72.866 35.542 1 27.84 ? N LYS A 11 1 -ATOM 55 C CA . LYS A 1 11 . -14.023 71.85 34.98 1 24.67 ? CA LYS A 11 1 -ATOM 56 C C . LYS A 1 11 . -15.154 71.44 35.929 1 24.68 ? C LYS A 11 1 -ATOM 57 O O . LYS A 1 11 . -16.072 70.775 35.486 1 27.54 ? O LYS A 11 1 -ATOM 58 C CB . LYS A 1 11 . -13.208 70.653 34.493 1 17.2 ? CB LYS A 11 1 -ATOM 59 C CG . LYS A 1 11 . -12.087 71.099 33.547 1 14.65 ? CG LYS A 11 1 -ATOM 60 C CD . LYS A 1 11 . -11.25 69.939 33.014 1 16.35 ? CD LYS A 11 1 -ATOM 61 C CE . LYS A 1 11 . -9.911 70.312 32.358 1 19.73 ? CE LYS A 11 1 -ATOM 62 N NZ . LYS A 1 11 . -9.107 69.103 32.179 1 22.74 ? NZ LYS A 11 1 -ATOM 63 N N . SER A 1 12 . -15.078 71.792 37.231 1 27.83 ? N SER A 12 1 -ATOM 64 C CA . SER A 1 12 . -16.163 71.425 38.154 1 28.06 ? CA SER A 12 1 -ATOM 65 C C . SER A 1 12 . -17.186 72.558 38.349 1 29.85 ? C SER A 12 1 -ATOM 66 O O . SER A 1 12 . -18.303 72.296 38.787 1 26.76 ? O SER A 12 1 -ATOM 67 C CB . SER A 1 12 . -15.645 71.067 39.569 1 28.31 ? CB SER A 12 1 -ATOM 68 O OG . SER A 1 12 . -14.456 70.262 39.614 1 28.89 ? OG SER A 12 1 -ATOM 69 N N . GLY A 1 13 . -16.789 73.809 38.067 1 27.92 ? N GLY A 13 1 -ATOM 70 C CA . GLY A 1 13 . -17.743 74.889 38.268 1 30.42 ? CA GLY A 13 1 -ATOM 71 C C . GLY A 1 13 . -16.97 76.173 38.361 1 32.86 ? C GLY A 13 1 -ATOM 72 O O . GLY A 1 13 . -15.75 76.147 38.199 1 31.43 ? O GLY A 13 1 -ATOM 73 N N . LYS A 1 14 . -17.661 77.3 38.603 1 34.06 ? N LYS A 14 1 -ATOM 74 C CA . LYS A 1 14 . -16.946 78.577 38.695 1 35.67 ? CA LYS A 14 1 -ATOM 75 C C . LYS A 1 14 . -16.546 78.847 40.127 1 34.96 ? C LYS A 14 1 -ATOM 76 O O . LYS A 1 14 . -17.215 78.37 41.034 1 34.65 ? O LYS A 14 1 -ATOM 77 C CB . LYS A 1 14 . -17.839 79.721 38.192 1 38.99 ? CB LYS A 14 1 -ATOM 78 C CG . LYS A 1 14 . -17.873 79.759 36.661 1 47.77 ? CG LYS A 14 1 -ATOM 79 C CD . LYS A 1 14 . -18.766 80.858 36.07 1 55.48 ? CD LYS A 14 1 -ATOM 80 C CE . LYS A 1 14 . -20.267 80.65 36.336 1 64.81 ? CE LYS A 14 1 -ATOM 81 N NZ . LYS A 1 14 . -20.749 79.427 35.705 1 71 ? NZ LYS A 14 1 -ATOM 82 N N . VAL A 1 15 . -15.479 79.629 40.328 1 34.04 ? N VAL A 15 1 -ATOM 83 C CA . VAL A 1 15 . -15.026 79.952 41.667 1 32.93 ? CA VAL A 15 1 -ATOM 84 C C . VAL A 1 15 . -14.591 81.417 41.683 1 34.62 ? C VAL A 15 1 -ATOM 85 O O . VAL A 1 15 . -13.953 81.902 40.751 1 29.89 ? O VAL A 15 1 -ATOM 86 C CB . VAL A 1 15 . -13.875 79.002 42.098 1 29.03 ? CB VAL A 15 1 -ATOM 87 C CG1 . VAL A 1 15 . -14.269 77.516 42.075 1 29.98 ? CG1 VAL A 15 1 -ATOM 88 C CG2 . VAL A 1 15 . -12.622 79.141 41.229 1 31.49 ? CG2 VAL A 15 1 -ATOM 89 N N . MET A 1 16 . -14.981 82.082 42.777 1 37.7 ? N MET A 16 1 -ATOM 90 C CA . MET A 1 16 . -14.696 83.486 43.083 1 39.31 ? CA MET A 16 1 -ATOM 91 C C . MET A 1 16 . -13.672 83.472 44.208 1 37.45 ? C MET A 16 1 -ATOM 92 O O . MET A 1 16 . -13.922 82.839 45.227 1 37.64 ? O MET A 16 1 -ATOM 93 C CB . MET A 1 16 . -15.964 84.164 43.671 1 43.76 ? CB MET A 16 1 -ATOM 94 C CG . MET A 1 16 . -16.786 84.967 42.656 1 51.8 ? CG MET A 16 1 -ATOM 95 S SD . MET A 1 16 . -15.852 86.472 42.182 1 59.52 ? SD MET A 16 1 -ATOM 96 C CE . MET A 1 16 . -16.117 87.473 43.685 1 62.28 ? CE MET A 16 1 -ATOM 97 N N . GLY A 1 17 . -12.555 84.166 44.044 1 35.12 ? N GLY A 17 1 -ATOM 98 C CA . GLY A 1 17 . -11.542 84.181 45.098 1 31.94 ? CA GLY A 17 1 -ATOM 99 C C . GLY A 1 17 . -11.538 85.515 45.789 1 29.25 ? C GLY A 17 1 -ATOM 100 O O . GLY A 1 17 . -12.538 86.225 45.821 1 29.77 ? O GLY A 17 1 -ATOM 101 N N . THR A 1 18 . -10.387 85.877 46.335 1 29.14 ? N THR A 18 1 -ATOM 102 C CA . THR A 1 18 . -10.24 87.143 47.021 1 32.39 ? CA THR A 18 1 -ATOM 103 C C . THR A 1 18 . -8.877 87.671 46.695 1 29.82 ? C THR A 18 1 -ATOM 104 O O . THR A 1 18 . -7.952 86.944 46.354 1 29.28 ? O THR A 18 1 -ATOM 105 C CB . THR A 1 18 . -10.27 86.929 48.552 1 38.14 ? CB THR A 18 1 -ATOM 106 O OG1 . THR A 1 18 . -11.384 86.119 48.917 1 42.11 ? OG1 THR A 18 1 -ATOM 107 C CG2 . THR A 1 18 . -10.355 88.216 49.399 1 41.82 ? CG2 THR A 18 1 -ATOM 108 N N . ARG A 1 19 . -8.772 88.981 46.807 1 28.01 ? N ARG A 19 1 -ATOM 109 C CA . ARG A 1 19 . -7.503 89.605 46.57 1 29.07 ? CA ARG A 19 1 -ATOM 110 C C . ARG A 1 19 . -6.948 89.704 47.989 1 30.93 ? C ARG A 19 1 -ATOM 111 O O . ARG A 1 19 . -7.634 90.258 48.842 1 35.56 ? O ARG A 19 1 -ATOM 112 C CB . ARG A 1 19 . -7.758 90.976 45.92 1 28.93 ? CB ARG A 19 1 -ATOM 113 C CG . ARG A 1 19 . -6.503 91.613 45.339 1 32.23 ? CG ARG A 19 1 -ATOM 114 C CD . ARG A 1 19 . -6.762 93.028 44.816 1 35.26 ? CD ARG A 19 1 -ATOM 115 N N . VAL A 1 20 . -5.76 89.164 48.263 1 30.18 ? N VAL A 20 1 -ATOM 116 C CA . VAL A 1 20 . -5.21 89.235 49.617 1 26.81 ? CA VAL A 20 1 -ATOM 117 C C . VAL A 1 20 . -3.984 90.126 49.576 1 28.42 ? C VAL A 20 1 -ATOM 118 O O . VAL A 1 20 . -3.243 90.053 48.604 1 28.65 ? O VAL A 20 1 -ATOM 119 C CB . VAL A 1 20 . -4.849 87.825 50.132 1 25.26 ? CB VAL A 20 1 -ATOM 120 C CG1 . VAL A 1 20 . -6.086 86.908 50.086 1 20.35 ? CG1 VAL A 20 1 -ATOM 121 C CG2 . VAL A 1 20 . -3.672 87.168 49.377 1 25.28 ? CG2 VAL A 20 1 -ATOM 122 N N . PRO A 1 21 . -3.764 90.961 50.603 1 29.36 ? N PRO A 21 1 -ATOM 123 C CA . PRO A 1 21 . -2.543 91.749 50.665 1 28.64 ? CA PRO A 21 1 -ATOM 124 C C . PRO A 1 21 . -1.347 90.886 50.931 1 28.38 ? C PRO A 21 1 -ATOM 125 O O . PRO A 1 21 . -1.405 89.986 51.758 1 29.32 ? O PRO A 21 1 -ATOM 126 C CB . PRO A 1 21 . -2.741 92.681 51.869 1 30.26 ? CB PRO A 21 1 -ATOM 127 C CG . PRO A 1 21 . -4.219 92.582 52.263 1 31.39 ? CG PRO A 21 1 -ATOM 128 C CD . PRO A 1 21 . -4.74 91.285 51.635 1 31.49 ? CD PRO A 21 1 -ATOM 129 N N . VAL A 1 22 . -0.249 91.183 50.261 1 29.82 ? N VAL A 22 1 -ATOM 130 C CA . VAL A 1 22 . 0.96 90.419 50.471 1 31.13 ? CA VAL A 22 1 -ATOM 131 C C . VAL A 1 22 . 2.012 91.46 50.498 1 34 ? C VAL A 22 1 -ATOM 132 O O . VAL A 1 22 . 2.306 92.09 49.498 1 36.68 ? O VAL A 22 1 -ATOM 133 C CB . VAL A 1 22 . 1.232 89.459 49.316 1 28.17 ? CB VAL A 22 1 -ATOM 134 C CG1 . VAL A 1 22 . 2.433 88.577 49.605 1 27.98 ? CG1 VAL A 22 1 -ATOM 135 C CG2 . VAL A 1 22 . 0.011 88.599 49.042 1 33 ? CG2 VAL A 22 1 -ATOM 136 N N . LEU A 1 23 . 2.605 91.635 51.659 1 35.38 ? N LEU A 23 1 -ATOM 137 C CA . LEU A 1 23 . 3.623 92.66 51.758 1 37.84 ? CA LEU A 23 1 -ATOM 138 C C . LEU A 1 23 . 3.003 93.998 51.372 1 43.58 ? C LEU A 23 1 -ATOM 139 O O . LEU A 1 23 . 2.056 94.464 51.991 1 47.15 ? O LEU A 23 1 -ATOM 140 C CB . LEU A 1 23 . 4.926 92.342 51.009 1 34.91 ? CB LEU A 23 1 -ATOM 141 C CG . LEU A 1 23 . 5.762 91.224 51.648 1 37.14 ? CG LEU A 23 1 -ATOM 142 C CD1 . LEU A 1 23 . 5.306 89.823 51.252 1 37.74 ? CD1 LEU A 23 1 -ATOM 143 C CD2 . LEU A 1 23 . 7.228 91.372 51.229 1 43.47 ? CD2 LEU A 23 1 -ATOM 144 N N . SER A 1 24 . 3.546 94.547 50.304 1 45.59 ? N SER A 24 1 -ATOM 145 C CA . SER A 1 24 . 3.151 95.833 49.783 1 47.78 ? CA SER A 24 1 -ATOM 146 C C . SER A 1 24 . 2.17 95.764 48.633 1 46.42 ? C SER A 24 1 -ATOM 147 O O . SER A 1 24 . 1.802 96.789 48.07 1 49.47 ? O SER A 24 1 -ATOM 148 C CB . SER A 1 24 . 4.454 96.47 49.252 1 53.04 ? CB SER A 24 1 -ATOM 149 O OG . SER A 1 24 . 5.276 95.514 48.535 1 56.67 ? OG SER A 24 1 -ATOM 150 N N . SER A 1 25 . 1.764 94.551 48.285 1 43.6 ? N SER A 25 1 -ATOM 151 C CA . SER A 1 25 . 0.9 94.351 47.149 1 41.55 ? CA SER A 25 1 -ATOM 152 C C . SER A 1 25 . -0.283 93.474 47.48 1 39.27 ? C SER A 25 1 -ATOM 153 O O . SER A 1 25 . -0.777 93.456 48.602 1 42.44 ? O SER A 25 1 -ATOM 154 C CB . SER A 1 25 . 1.78 93.725 46.06 1 43.12 ? CB SER A 25 1 -ATOM 155 O OG . SER A 1 25 . 3.058 94.368 46.008 1 49.23 ? OG SER A 25 1 -ATOM 156 N N . HIS A 1 26 . -0.731 92.728 46.465 1 35.32 ? N HIS A 26 1 -ATOM 157 C CA . HIS A 1 26 . -1.858 91.841 46.579 1 32.06 ? CA HIS A 26 1 -ATOM 158 C C . HIS A 1 26 . -1.588 90.547 45.794 1 29.59 ? C HIS A 26 1 -ATOM 159 O O . HIS A 1 26 . -0.578 90.415 45.113 1 31.42 ? O HIS A 26 1 -ATOM 160 C CB . HIS A 1 26 . -3.032 92.623 45.99 1 31.02 ? CB HIS A 26 1 -ATOM 161 N N . ILE A 1 27 . -2.509 89.6 45.908 1 21.5 ? N ILE A 27 1 -ATOM 162 C CA . ILE A 1 27 . -2.427 88.321 45.23 1 20.27 ? CA ILE A 27 1 -ATOM 163 C C . ILE A 1 27 . -3.851 87.86 45.203 1 21.51 ? C ILE A 27 1 -ATOM 164 O O . ILE A 1 27 . -4.717 88.495 45.793 1 19.8 ? O ILE A 27 1 -ATOM 165 C CB . ILE A 1 27 . -1.505 87.378 46.027 1 19.81 ? CB ILE A 27 1 -ATOM 166 C CG1 . ILE A 1 27 . -0.111 87.355 45.413 1 25.98 ? CG1 ILE A 27 1 -ATOM 167 C CG2 . ILE A 1 27 . -2.007 85.97 46.354 1 21.89 ? CG2 ILE A 27 1 -ATOM 168 C CD1 . ILE A 1 27 . 0.663 86.04 45.648 1 33.64 ? CD1 ILE A 27 1 -ATOM 169 N N . SER A 1 28 . -4.094 86.767 44.51 1 21.19 ? N SER A 28 1 -ATOM 170 C CA . SER A 1 28 . -5.439 86.251 44.469 1 25.17 ? CA SER A 28 1 -ATOM 171 C C . SER A 1 28 . -5.369 85.028 45.334 1 25.66 ? C SER A 28 1 -ATOM 172 O O . SER A 1 28 . -4.345 84.353 45.388 1 30.04 ? O SER A 28 1 -ATOM 173 C CB . SER A 1 28 . -5.835 85.861 43.03 1 29.04 ? CB SER A 28 1 -ATOM 174 O OG . SER A 1 28 . -5.758 86.989 42.156 1 36.88 ? OG SER A 28 1 -ATOM 175 N N . ALA A 1 29 . -6.46 84.718 46.01 1 23.77 ? N ALA A 29 1 -ATOM 176 C CA . ALA A 1 29 . -6.46 83.548 46.848 1 21.82 ? CA ALA A 29 1 -ATOM 177 C C . ALA A 1 29 . -7.798 82.928 46.654 1 22.7 ? C ALA A 29 1 -ATOM 178 O O . ALA A 1 29 . -8.797 83.637 46.615 1 21.72 ? O ALA A 29 1 -ATOM 179 C CB . ALA A 1 29 . -6.325 83.972 48.315 1 24.17 ? CB ALA A 29 1 -ATOM 180 N N . PHE A 1 30 . -7.788 81.613 46.502 1 22.31 ? N PHE A 30 1 -ATOM 181 C CA . PHE A 1 30 . -9.018 80.867 46.33 1 23.55 ? CA PHE A 30 1 -ATOM 182 C C . PHE A 1 30 . -8.917 79.88 47.469 1 24.51 ? C PHE A 30 1 -ATOM 183 O O . PHE A 1 30 . -8.094 78.969 47.399 1 27.63 ? O PHE A 30 1 -ATOM 184 C CB . PHE A 1 30 . -9.061 80.119 44.96 1 25.71 ? CB PHE A 30 1 -ATOM 185 C CG . PHE A 1 30 . -9.027 81.019 43.728 1 21.98 ? CG PHE A 30 1 -ATOM 186 C CD1 . PHE A 1 30 . -7.797 81.505 43.221 1 18.64 ? CD1 PHE A 30 1 -ATOM 187 C CD2 . PHE A 1 30 . -10.233 81.399 43.094 1 19.09 ? CD2 PHE A 30 1 -ATOM 188 C CE1 . PHE A 1 30 . -7.779 82.375 42.119 1 16.13 ? CE1 PHE A 30 1 -ATOM 189 C CE2 . PHE A 1 30 . -10.221 82.265 41.995 1 12.59 ? CE2 PHE A 30 1 -ATOM 190 C CZ . PHE A 1 30 . -8.995 82.757 41.517 1 19.18 ? CZ PHE A 30 1 -ATOM 191 N N . LEU A 1 31 . -9.699 80.075 48.528 1 22.04 ? N LEU A 31 1 -ATOM 192 C CA . LEU A 1 31 . -9.615 79.16 49.663 1 18.95 ? CA LEU A 31 1 -ATOM 193 C C . LEU A 1 31 . -10.854 78.281 49.734 1 20.31 ? C LEU A 31 1 -ATOM 194 O O . LEU A 1 31 . -11.951 78.708 49.409 1 22.57 ? O LEU A 31 1 -ATOM 195 C CB . LEU A 1 31 . -9.615 79.944 50.992 1 15.9 ? CB LEU A 31 1 -ATOM 196 C CG . LEU A 1 31 . -8.438 80.872 51.338 1 10.17 ? CG LEU A 31 1 -ATOM 197 C CD1 . LEU A 1 31 . -7.296 80.912 50.334 1 9.79 ? CD1 LEU A 31 1 -ATOM 198 C CD2 . LEU A 1 31 . -8.958 82.277 51.614 1 7.92 ? CD2 LEU A 31 1 -ATOM 199 N N . GLY A 1 32 . -10.675 77.043 50.189 1 19.63 ? N GLY A 32 1 -ATOM 200 C CA . GLY A 1 32 . -11.825 76.159 50.338 1 17.79 ? CA GLY A 32 1 -ATOM 201 C C . GLY A 1 32 . -12.485 75.571 49.094 1 17.48 ? C GLY A 32 1 -ATOM 202 O O . GLY A 1 32 . -13.682 75.307 49.118 1 19.31 ? O GLY A 32 1 -ATOM 203 N N . ILE A 1 33 . -11.741 75.327 47.998 1 16.16 ? N ILE A 33 1 -ATOM 204 C CA . ILE A 1 33 . -12.403 74.743 46.822 1 12.47 ? CA ILE A 33 1 -ATOM 205 C C . ILE A 1 33 . -12.593 73.236 47.093 1 11.92 ? C ILE A 33 1 -ATOM 206 O O . ILE A 1 33 . -11.624 72.549 47.397 1 15.94 ? O ILE A 33 1 -ATOM 207 C CB . ILE A 1 33 . -11.539 74.952 45.567 1 9.82 ? CB ILE A 33 1 -ATOM 208 C CG1 . ILE A 1 33 . -11.207 76.435 45.302 1 9.7 ? CG1 ILE A 33 1 -ATOM 209 C CG2 . ILE A 1 33 . -12.199 74.334 44.332 1 11.4 ? CG2 ILE A 33 1 -ATOM 210 C CD1 . ILE A 1 33 . -10.035 76.57 44.319 1 10.55 ? CD1 ILE A 33 1 -ATOM 211 N N . PRO A 1 34 . -13.822 72.711 47.015 1 9.19 ? N PRO A 34 1 -ATOM 212 C CA . PRO A 1 34 . -14.031 71.303 47.35 1 12.31 ? CA PRO A 34 1 -ATOM 213 C C . PRO A 1 34 . -13.398 70.436 46.293 1 13.3 ? C PRO A 34 1 -ATOM 214 O O . PRO A 1 34 . -13.393 70.816 45.138 1 18.57 ? O PRO A 34 1 -ATOM 215 C CB . PRO A 1 34 . -15.562 71.124 47.334 1 8.07 ? CB PRO A 34 1 -ATOM 216 C CG . PRO A 1 34 . -16.099 72.321 46.537 1 5.81 ? CG PRO A 34 1 -ATOM 217 C CD . PRO A 1 34 . -15.028 73.419 46.629 1 7.7 ? CD PRO A 34 1 -ATOM 218 N N . PHE A 1 35 . -12.895 69.263 46.671 1 14.36 ? N PHE A 35 1 -ATOM 219 C CA . PHE A 1 35 . -12.3 68.406 45.655 1 9.91 ? CA PHE A 35 1 -ATOM 220 C C . PHE A 1 35 . -12.831 66.998 45.693 1 12.79 ? C PHE A 35 1 -ATOM 221 O O . PHE A 1 35 . -12.381 66.173 44.914 1 15.8 ? O PHE A 35 1 -ATOM 222 C CB . PHE A 1 35 . -10.776 68.408 45.715 1 11.07 ? CB PHE A 35 1 -ATOM 223 C CG . PHE A 1 35 . -10.152 67.808 46.961 1 17.39 ? CG PHE A 35 1 -ATOM 224 C CD1 . PHE A 1 35 . -10.133 66.414 47.151 1 16.8 ? CD1 PHE A 35 1 -ATOM 225 C CD2 . PHE A 1 35 . -9.518 68.631 47.914 1 19.76 ? CD2 PHE A 35 1 -ATOM 226 C CE1 . PHE A 1 35 . -9.469 65.84 48.245 1 18.35 ? CE1 PHE A 35 1 -ATOM 227 C CE2 . PHE A 1 35 . -8.852 68.058 49.009 1 19.78 ? CE2 PHE A 35 1 -ATOM 228 C CZ . PHE A 1 35 . -8.822 66.664 49.171 1 20.22 ? CZ PHE A 35 1 -ATOM 229 N N . ALA A 1 36 . -13.774 66.688 46.592 1 10.85 ? N ALA A 36 1 -ATOM 230 C CA . ALA A 1 36 . -14.325 65.34 46.667 1 8.56 ? CA ALA A 36 1 -ATOM 231 C C . ALA A 1 36 . -15.632 65.48 47.393 1 12.49 ? C ALA A 36 1 -ATOM 232 O O . ALA A 1 36 . -15.897 66.525 47.967 1 18.58 ? O ALA A 36 1 -ATOM 233 C CB . ALA A 1 36 . -13.386 64.415 47.425 1 6.98 ? CB ALA A 36 1 -ATOM 234 N N . GLU A 1 37 . -16.48 64.461 47.356 1 17.66 ? N GLU A 37 1 -ATOM 235 C CA . GLU A 1 37 . -17.76 64.582 48.069 1 21.71 ? CA GLU A 37 1 -ATOM 236 C C . GLU A 1 37 . -17.514 64.41 49.571 1 22.94 ? C GLU A 37 1 -ATOM 237 O O . GLU A 1 37 . -16.832 63.452 49.918 1 26.27 ? O GLU A 37 1 -ATOM 238 C CB . GLU A 1 37 . -18.75 63.467 47.648 1 23.74 ? CB GLU A 37 1 -ATOM 239 C CG . GLU A 1 37 . -19.328 63.616 46.228 1 27.33 ? CG GLU A 37 1 -ATOM 240 C CD . GLU A 1 37 . -20.406 64.704 46.157 1 31.25 ? CD GLU A 37 1 -ATOM 241 O OE1 . GLU A 1 37 . -21.535 64.424 46.561 1 34.04 ? OE1 GLU A 37 1 -ATOM 242 O OE2 . GLU A 1 37 . -20.126 65.817 45.704 1 30.36 ? OE2 GLU A 37 1 -ATOM 243 N N . PRO A 1 38 . -18.101 65.289 50.436 1 23.11 ? N PRO A 38 1 -ATOM 244 C CA . PRO A 1 38 . -17.897 65.221 51.887 1 17.99 ? CA PRO A 38 1 -ATOM 245 C C . PRO A 1 38 . -18.053 63.833 52.455 1 17.78 ? C PRO A 38 1 -ATOM 246 O O . PRO A 1 38 . -19.148 63.295 52.367 1 23.08 ? O PRO A 38 1 -ATOM 247 C CB . PRO A 1 38 . -18.999 66.109 52.467 1 15.25 ? CB PRO A 38 1 -ATOM 248 C CG . PRO A 1 38 . -19.381 67.077 51.348 1 21.82 ? CG PRO A 38 1 -ATOM 249 C CD . PRO A 1 38 . -19.04 66.343 50.042 1 25.22 ? CD PRO A 38 1 -ATOM 250 N N . PRO A 1 39 . -16.988 63.271 53.04 1 14.62 ? N PRO A 39 1 -ATOM 251 C CA . PRO A 1 39 . -17.013 61.878 53.449 1 14.68 ? CA PRO A 39 1 -ATOM 252 C C . PRO A 1 39 . -17.702 61.743 54.784 1 18.19 ? C PRO A 39 1 -ATOM 253 O O . PRO A 1 39 . -17.113 61.328 55.779 1 26.5 ? O PRO A 39 1 -ATOM 254 C CB . PRO A 1 39 . -15.525 61.549 53.563 1 12.52 ? CB PRO A 39 1 -ATOM 255 C CG . PRO A 1 39 . -14.86 62.88 53.931 1 13.31 ? CG PRO A 39 1 -ATOM 256 C CD . PRO A 1 39 . -15.722 63.95 53.278 1 10.24 ? CD PRO A 39 1 -ATOM 257 N N . VAL A 1 40 . -18.959 62.123 54.81 1 17.25 ? N VAL A 40 1 -ATOM 258 C CA . VAL A 1 40 . -19.699 62.057 56.038 1 17.22 ? CA VAL A 40 1 -ATOM 259 C C . VAL A 1 40 . -20.662 60.892 55.947 1 20.33 ? C VAL A 40 1 -ATOM 260 O O . VAL A 1 40 . -20.742 60.152 54.976 1 25.8 ? O VAL A 40 1 -ATOM 261 C CB . VAL A 1 40 . -20.37 63.44 56.216 1 15.36 ? CB VAL A 40 1 -ATOM 262 C CG1 . VAL A 1 40 . -19.347 64.601 56.138 1 6.48 ? CG1 VAL A 40 1 -ATOM 263 C CG2 . VAL A 1 40 . -21.509 63.677 55.208 1 18.85 ? CG2 VAL A 40 1 -ATOM 264 N N . GLY A 1 41 . -21.42 60.721 57.009 1 24.29 ? N GLY A 41 1 -ATOM 265 C CA . GLY A 1 41 . -22.414 59.661 57.013 1 25.93 ? CA GLY A 41 1 -ATOM 266 C C . GLY A 1 41 . -21.868 58.298 56.733 1 26.15 ? C GLY A 41 1 -ATOM 267 O O . GLY A 1 41 . -20.822 57.901 57.228 1 30.02 ? O GLY A 41 1 -ATOM 268 N N . ASN A 1 42 . -22.623 57.602 55.878 1 28.14 ? N ASN A 42 1 -ATOM 269 C CA . ASN A 1 42 . -22.273 56.252 55.477 1 31.52 ? CA ASN A 42 1 -ATOM 270 C C . ASN A 1 42 . -20.982 56.182 54.642 1 32.76 ? C ASN A 42 1 -ATOM 271 O O . ASN A 1 42 . -20.514 55.113 54.276 1 31.62 ? O ASN A 42 1 -ATOM 272 C CB . ASN A 1 42 . -23.492 55.583 54.843 1 29.49 ? CB ASN A 42 1 -ATOM 273 N N . MET A 1 43 . -20.39 57.351 54.357 1 33.93 ? N MET A 43 1 -ATOM 274 C CA . MET A 1 43 . -19.153 57.405 53.59 1 34.65 ? CA MET A 43 1 -ATOM 275 C C . MET A 1 43 . -17.935 57.446 54.473 1 33.26 ? C MET A 43 1 -ATOM 276 O O . MET A 1 43 . -16.805 57.433 53.997 1 34.27 ? O MET A 43 1 -ATOM 277 C CB . MET A 1 43 . -19.165 58.63 52.682 1 37.67 ? CB MET A 43 1 -ATOM 278 C CG . MET A 1 43 . -20.371 58.55 51.737 1 40.13 ? CG MET A 43 1 -ATOM 279 S SD . MET A 1 43 . -19.833 59.076 50.095 1 47.63 ? SD MET A 43 1 -ATOM 280 C CE . MET A 1 43 . -19.69 60.877 50.378 1 44.23 ? CE MET A 43 1 -ATOM 281 N N . ARG A 1 44 . -18.166 57.528 55.783 1 30.06 ? N ARG A 44 1 -ATOM 282 C CA . ARG A 1 44 . -17.026 57.556 56.677 1 26.22 ? CA ARG A 44 1 -ATOM 283 C C . ARG A 1 44 . -16.2 56.29 56.45 1 23.34 ? C ARG A 44 1 -ATOM 284 O O . ARG A 1 44 . -16.777 55.227 56.309 1 17.04 ? O ARG A 44 1 -ATOM 285 C CB . ARG A 1 44 . -17.503 57.608 58.154 1 26.73 ? CB ARG A 44 1 -ATOM 286 C CG . ARG A 1 44 . -16.35 57.879 59.143 1 24.95 ? CG ARG A 44 1 -ATOM 287 C CD . ARG A 1 44 . -16.741 57.776 60.605 1 19.41 ? CD ARG A 44 1 -ATOM 288 N NE . ARG A 1 44 . -17.507 58.934 61.005 1 20.92 ? NE ARG A 44 1 -ATOM 289 C CZ . ARG A 1 44 . -18.057 58.982 62.228 1 25.75 ? CZ ARG A 44 1 -ATOM 290 N NH1 . ARG A 1 44 . -17.995 57.949 63.063 1 20.03 ? NH1 ARG A 44 1 -ATOM 291 N NH2 . ARG A 1 44 . -18.688 60.079 62.62 1 28.74 ? NH2 ARG A 44 1 -ATOM 292 N N . PHE A 1 45 . -14.874 56.43 56.432 1 22.58 ? N PHE A 45 1 -ATOM 293 C CA . PHE A 1 45 . -13.973 55.303 56.241 1 24.6 ? CA PHE A 45 1 -ATOM 294 C C . PHE A 1 45 . -13.869 54.856 54.801 1 26.95 ? C PHE A 45 1 -ATOM 295 O O . PHE A 1 45 . -12.971 54.09 54.462 1 32.12 ? O PHE A 45 1 -ATOM 296 C CB . PHE A 1 45 . -14.279 54.062 57.117 1 24.86 ? CB PHE A 45 1 -ATOM 297 C CG . PHE A 1 45 . -14.422 54.432 58.584 1 31.63 ? CG PHE A 45 1 -ATOM 298 C CD1 . PHE A 1 45 . -13.381 55.119 59.26 1 29.49 ? CD1 PHE A 45 1 -ATOM 299 C CD2 . PHE A 1 45 . -15.605 54.12 59.289 1 29.74 ? CD2 PHE A 45 1 -ATOM 300 C CE1 . PHE A 1 45 . -13.531 55.5 60.597 1 26.98 ? CE1 PHE A 45 1 -ATOM 301 C CE2 . PHE A 1 45 . -15.744 54.5 60.63 1 28.3 ? CE2 PHE A 45 1 -ATOM 302 C CZ . PHE A 1 45 . -14.716 55.196 61.278 1 26.58 ? CZ PHE A 45 1 -ATOM 303 N N . ARG A 1 46 . -14.77 55.33 53.947 1 26.89 ? N ARG A 46 1 -ATOM 304 C CA . ARG A 1 46 . -14.704 54.881 52.56 1 25.38 ? CA ARG A 46 1 -ATOM 305 C C . ARG A 1 46 . -13.835 55.815 51.756 1 22.97 ? C ARG A 46 1 -ATOM 306 O O . ARG A 1 46 . -13.538 56.937 52.136 1 19.69 ? O ARG A 46 1 -ATOM 307 C CB . ARG A 1 46 . -16.095 54.907 51.956 1 30.17 ? CB ARG A 46 1 -ATOM 308 C CG . ARG A 1 46 . -16.952 53.785 52.545 1 36.6 ? CG ARG A 46 1 -ATOM 309 C CD . ARG A 1 46 . -18.289 53.639 51.817 1 45.15 ? CD ARG A 46 1 -ATOM 310 N NE . ARG A 1 46 . -18.359 52.39 51.078 1 50.41 ? NE ARG A 46 1 -ATOM 311 N N . ARG A 1 47 . -13.446 55.274 50.622 1 17.96 ? N ARG A 47 1 -ATOM 312 C CA . ARG A 1 47 . -12.572 56.029 49.722 1 13.93 ? CA ARG A 47 1 -ATOM 313 C C . ARG A 1 47 . -13.318 57.269 49.231 1 10.14 ? C ARG A 47 1 -ATOM 314 O O . ARG A 1 47 . -14.526 57.161 49.107 1 14.08 ? O ARG A 47 1 -ATOM 315 C CB . ARG A 1 47 . -12.068 55.222 48.516 1 16.88 ? CB ARG A 47 1 -ATOM 316 C CG . ARG A 1 47 . -12.371 53.729 48.484 1 22.12 ? CG ARG A 47 1 -ATOM 317 C CD . ARG A 1 47 . -11.133 52.923 47.979 1 23.05 ? CD ARG A 47 1 -ATOM 318 N NE . ARG A 1 47 . -11.447 51.504 47.852 0.06 15.19 ? NE ARG A 47 1 -ATOM 319 C CZ . ARG A 1 47 . -10.463 50.635 47.534 0.06 12.62 ? CZ ARG A 47 1 -ATOM 320 N NH1 . ARG A 1 47 . -9.186 50.983 47.289 0.06 11.23 ? NH1 ARG A 47 1 -ATOM 321 N NH2 . ARG A 1 47 . -10.897 49.352 47.483 0.06 10.41 ? NH2 ARG A 47 1 -ATOM 322 N N . PRO A 1 48 . -12.618 58.367 48.935 1 6.34 ? N PRO A 48 1 -ATOM 323 C CA . PRO A 1 48 . -13.323 59.597 48.534 1 11.93 ? CA PRO A 48 1 -ATOM 324 C C . PRO A 1 48 . -13.937 59.577 47.126 1 16.79 ? C PRO A 48 1 -ATOM 325 O O . PRO A 1 48 . -13.374 59.012 46.195 1 17.1 ? O PRO A 48 1 -ATOM 326 C CB . PRO A 1 48 . -12.224 60.664 48.594 1 8.51 ? CB PRO A 48 1 -ATOM 327 C CG . PRO A 1 48 . -10.92 59.881 48.407 1 8.25 ? CG PRO A 48 1 -ATOM 328 C CD . PRO A 1 48 . -11.171 58.513 49.037 1 5.71 ? CD PRO A 48 1 -ATOM 329 N N . GLU A 1 49 . -15.109 60.234 46.973 1 20.27 ? N GLU A 49 1 -ATOM 330 C CA . GLU A 1 49 . -15.726 60.303 45.642 1 20.95 ? CA GLU A 49 1 -ATOM 331 C C . GLU A 1 49 . -15.296 61.616 45.036 1 20.57 ? C GLU A 49 1 -ATOM 332 O O . GLU A 1 49 . -15.185 62.573 45.792 1 21.43 ? O GLU A 49 1 -ATOM 333 C CB . GLU A 1 49 . -17.264 60.383 45.663 1 27.74 ? CB GLU A 49 1 -ATOM 334 C CG . GLU A 1 49 . -17.958 59.115 46.176 1 37.97 ? CG GLU A 49 1 -ATOM 335 C CD . GLU A 1 49 . -19.473 59.23 46.012 1 42.75 ? CD GLU A 49 1 -ATOM 336 O OE1 . GLU A 1 49 . -20.03 60.296 46.295 1 47.09 ? OE1 GLU A 49 1 -ATOM 337 O OE2 . GLU A 1 49 . -20.092 58.25 45.598 1 49.76 ? OE2 GLU A 49 1 -ATOM 338 N N . PRO A 1 50 . -15.143 61.696 43.692 1 19.49 ? N PRO A 50 1 -ATOM 339 C CA . PRO A 1 50 . -14.871 62.976 43.054 1 17.83 ? CA PRO A 50 1 -ATOM 340 C C . PRO A 1 50 . -16.095 63.827 43.265 1 22.18 ? C PRO A 50 1 -ATOM 341 O O . PRO A 1 50 . -17.208 63.309 43.296 1 26.65 ? O PRO A 50 1 -ATOM 342 C CB . PRO A 1 50 . -14.564 62.647 41.609 1 18.41 ? CB PRO A 50 1 -ATOM 343 C CG . PRO A 1 50 . -14.684 61.118 41.449 1 22.2 ? CG PRO A 50 1 -ATOM 344 C CD . PRO A 1 50 . -15.207 60.57 42.775 1 20.22 ? CD PRO A 50 1 -ATOM 345 N N . LYS A 1 51 . -15.878 65.129 43.433 1 24.77 ? N LYS A 51 1 -ATOM 346 C CA . LYS A 1 51 . -17.011 65.994 43.725 1 29.54 ? CA LYS A 51 1 -ATOM 347 C C . LYS A 1 51 . -17.92 66.304 42.558 1 33.14 ? C LYS A 51 1 -ATOM 348 O O . LYS A 1 51 . -17.46 66.654 41.482 1 36.22 ? O LYS A 51 1 -ATOM 349 C CB . LYS A 1 51 . -16.494 67.315 44.305 1 30.84 ? CB LYS A 51 1 -ATOM 350 C CG . LYS A 1 51 . -17.438 67.93 45.35 1 29.1 ? CG LYS A 51 1 -ATOM 351 C CD . LYS A 1 51 . -17.954 69.297 44.917 1 32.33 ? CD LYS A 51 1 -ATOM 352 C CE . LYS A 1 51 . -18.78 70.023 45.989 1 37.69 ? CE LYS A 51 1 -ATOM 353 N NZ . LYS A 1 51 . -19.987 69.282 46.342 1 44.09 ? NZ LYS A 51 1 -ATOM 354 N N . LYS A 1 52 . -19.237 66.214 42.814 1 33.86 ? N LYS A 52 1 -ATOM 355 C CA . LYS A 1 52 . -20.193 66.535 41.757 1 34.64 ? CA LYS A 52 1 -ATOM 356 C C . LYS A 1 52 . -20.045 68.015 41.406 1 34.51 ? C LYS A 52 1 -ATOM 357 O O . LYS A 1 52 . -19.902 68.825 42.311 1 32.61 ? O LYS A 52 1 -ATOM 358 C CB . LYS A 1 52 . -21.631 66.295 42.23 1 38.77 ? CB LYS A 52 1 -ATOM 359 C CG . LYS A 1 52 . -21.923 64.811 42.475 1 43.55 ? CG LYS A 52 1 -ATOM 360 C CD . LYS A 1 52 . -23.163 64.61 43.356 1 47.58 ? CD LYS A 52 1 -ATOM 361 C CE . LYS A 1 52 . -23.393 63.127 43.7 1 52.94 ? CE LYS A 52 1 -ATOM 362 N NZ . LYS A 1 52 . -24.124 62.998 44.953 1 56.7 ? NZ LYS A 52 1 -ATOM 363 N N . PRO A 1 53 . -20.056 68.371 40.105 1 35.14 ? N PRO A 53 1 -ATOM 364 C CA . PRO A 1 53 . -19.88 69.766 39.752 1 35.65 ? CA PRO A 53 1 -ATOM 365 C C . PRO A 1 53 . -20.983 70.593 40.35 1 36.92 ? C PRO A 53 1 -ATOM 366 O O . PRO A 1 53 . -22.042 70.101 40.731 1 37.97 ? O PRO A 53 1 -ATOM 367 C CB . PRO A 1 53 . -19.919 69.766 38.22 1 34.28 ? CB PRO A 53 1 -ATOM 368 C CG . PRO A 1 53 . -19.604 68.327 37.802 1 32.67 ? CG PRO A 53 1 -ATOM 369 C CD . PRO A 1 53 . -20.125 67.473 38.956 1 33.93 ? CD PRO A 53 1 -ATOM 370 N N . TRP A 1 54 . -20.715 71.881 40.395 1 37.83 ? N TRP A 54 1 -ATOM 371 C CA . TRP A 1 54 . -21.704 72.773 40.948 1 37.84 ? CA TRP A 54 1 -ATOM 372 C C . TRP A 1 54 . -22.015 73.853 39.924 1 41.97 ? C TRP A 54 1 -ATOM 373 O O . TRP A 1 54 . -21.31 74.126 38.951 1 41.63 ? O TRP A 54 1 -ATOM 374 C CB . TRP A 1 54 . -21.223 73.316 42.315 1 30.12 ? CB TRP A 54 1 -ATOM 375 C CG . TRP A 1 54 . -19.918 74.055 42.16 1 17.64 ? CG TRP A 54 1 -ATOM 376 C CD1 . TRP A 1 54 . -19.78 75.404 41.755 1 17.68 ? CD1 TRP A 54 1 -ATOM 377 C CD2 . TRP A 1 54 . -18.631 73.527 42.308 1 15.11 ? CD2 TRP A 54 1 -ATOM 378 N NE1 . TRP A 1 54 . -18.473 75.731 41.635 1 18.46 ? NE1 TRP A 54 1 -ATOM 379 C CE2 . TRP A 1 54 . -17.707 74.634 41.955 1 16.29 ? CE2 TRP A 54 1 -ATOM 380 C CE3 . TRP A 1 54 . -18.123 72.274 42.655 1 9.58 ? CE3 TRP A 54 1 -ATOM 381 C CZ2 . TRP A 1 54 . -16.324 74.409 41.983 1 12.62 ? CZ2 TRP A 54 1 -ATOM 382 C CZ3 . TRP A 1 54 . -16.732 72.09 42.666 1 8.82 ? CZ3 TRP A 54 1 -ATOM 383 C CH2 . TRP A 1 54 . -15.847 73.138 42.342 1 11.55 ? CH2 TRP A 54 1 -ATOM 384 N N . SER A 1 55 . -23.157 74.468 40.195 1 46.06 ? N SER A 55 1 -ATOM 385 C CA . SER A 1 55 . -23.649 75.549 39.372 1 48.87 ? CA SER A 55 1 -ATOM 386 C C . SER A 1 55 . -23.364 76.787 40.199 1 47.85 ? C SER A 55 1 -ATOM 387 O O . SER A 1 55 . -23.043 76.715 41.382 1 46.18 ? O SER A 55 1 -ATOM 388 C CB . SER A 1 55 . -25.153 75.354 39.109 1 51.18 ? CB SER A 55 1 -ATOM 389 O OG . SER A 1 55 . -25.787 74.843 40.292 1 58.54 ? OG SER A 55 1 -ATOM 390 N N . GLY A 1 56 . -23.508 77.943 39.575 1 46.29 ? N GLY A 56 1 -ATOM 391 C CA . GLY A 1 56 . -23.243 79.12 40.376 1 46.52 ? CA GLY A 56 1 -ATOM 392 C C . GLY A 1 56 . -21.763 79.303 40.447 1 43.81 ? C GLY A 56 1 -ATOM 393 O O . GLY A 1 56 . -21.016 78.78 39.623 1 46.74 ? O GLY A 56 1 -ATOM 394 N N . VAL A 1 57 . -21.377 80.089 41.434 1 39.39 ? N VAL A 57 1 -ATOM 395 C CA . VAL A 1 57 . -19.994 80.367 41.663 1 35.44 ? CA VAL A 57 1 -ATOM 396 C C . VAL A 1 57 . -19.775 79.847 43.07 1 38.08 ? C VAL A 57 1 -ATOM 397 O O . VAL A 1 57 . -20.596 80.025 43.964 1 37.4 ? O VAL A 57 1 -ATOM 398 C CB . VAL A 1 57 . -19.733 81.891 41.571 1 29.31 ? CB VAL A 57 1 -ATOM 399 C CG1 . VAL A 1 57 . -18.822 82.249 40.414 1 29.88 ? CG1 VAL A 57 1 -ATOM 400 C CG2 . VAL A 1 57 . -21.016 82.725 41.454 1 35.24 ? CG2 VAL A 57 1 -ATOM 401 N N . TRP A 1 58 . -18.641 79.18 43.258 1 38.8 ? N TRP A 58 1 -ATOM 402 C CA . TRP A 1 58 . -18.314 78.692 44.572 1 34.49 ? CA TRP A 58 1 -ATOM 403 C C . TRP A 1 58 . -17.604 79.887 45.168 1 35.37 ? C TRP A 58 1 -ATOM 404 O O . TRP A 1 58 . -16.763 80.508 44.513 1 36.57 ? O TRP A 58 1 -ATOM 405 C CB . TRP A 1 58 . -17.32 77.542 44.483 1 32.34 ? CB TRP A 58 1 -ATOM 406 C CG . TRP A 1 58 . -17.216 76.872 45.822 1 33.36 ? CG TRP A 58 1 -ATOM 407 C CD1 . TRP A 1 58 . -16.307 77.208 46.851 1 30.36 ? CD1 TRP A 58 1 -ATOM 408 C CD2 . TRP A 1 58 . -18.023 75.828 46.28 1 30.42 ? CD2 TRP A 58 1 -ATOM 409 N NE1 . TRP A 1 58 . -16.53 76.417 47.92 1 30.04 ? NE1 TRP A 58 1 -ATOM 410 C CE2 . TRP A 1 58 . -17.56 75.553 47.647 1 28.9 ? CE2 TRP A 58 1 -ATOM 411 C CE3 . TRP A 1 58 . -19.06 75.079 45.722 1 32.78 ? CE3 TRP A 58 1 -ATOM 412 C CZ2 . TRP A 1 58 . -18.195 74.553 48.389 1 30.89 ? CZ2 TRP A 58 1 -ATOM 413 C CZ3 . TRP A 1 58 . -19.668 74.071 46.487 1 34.22 ? CZ3 TRP A 58 1 -ATOM 414 C CH2 . TRP A 1 58 . -19.244 73.819 47.804 1 35.78 ? CH2 TRP A 58 1 -ATOM 415 N N . ASN A 1 59 . -17.961 80.227 46.395 1 34.61 ? N ASN A 59 1 -ATOM 416 C CA . ASN A 1 59 . -17.306 81.37 47.007 1 32.65 ? CA ASN A 59 1 -ATOM 417 C C . ASN A 1 59 . -16.065 80.811 47.645 1 30.32 ? C ASN A 59 1 -ATOM 418 O O . ASN A 1 59 . -16.183 79.977 48.525 1 33.22 ? O ASN A 59 1 -ATOM 419 C CB . ASN A 1 59 . -18.226 81.979 48.075 1 37.84 ? CB ASN A 59 1 -ATOM 420 C CG . ASN A 1 59 . -17.671 83.293 48.596 1 42.52 ? CG ASN A 59 1 -ATOM 421 O OD1 . ASN A 1 59 . -17.007 83.365 49.615 1 47.22 ? OD1 ASN A 59 1 -ATOM 422 N ND2 . ASN A 1 59 . -17.927 84.356 47.842 1 44.27 ? ND2 ASN A 59 1 -ATOM 423 N N . ALA A 1 60 . -14.896 81.244 47.205 1 24.99 ? N ALA A 60 1 -ATOM 424 C CA . ALA A 1 60 . -13.669 80.73 47.765 1 23.98 ? CA ALA A 60 1 -ATOM 425 C C . ALA A 1 60 . -12.939 81.819 48.482 1 27.18 ? C ALA A 60 1 -ATOM 426 O O . ALA A 1 60 . -11.769 82.062 48.199 1 27.44 ? O ALA A 60 1 -ATOM 427 C CB . ALA A 1 60 . -12.767 80.191 46.652 1 26.41 ? CB ALA A 60 1 -ATOM 428 N N . SER A 1 61 . -13.642 82.467 49.421 1 31.48 ? N SER A 61 1 -ATOM 429 C CA . SER A 1 61 . -13.04 83.578 50.173 1 32.86 ? CA SER A 61 1 -ATOM 430 C C . SER A 1 61 . -12.625 83.304 51.622 1 34.53 ? C SER A 61 1 -ATOM 431 O O . SER A 1 61 . -12.053 84.157 52.298 1 36.5 ? O SER A 61 1 -ATOM 432 C CB . SER A 1 61 . -14.065 84.73 50.228 1 31.96 ? CB SER A 61 1 -ATOM 433 O OG . SER A 1 61 . -14.657 84.951 48.941 1 38.85 ? OG SER A 61 1 -ATOM 434 N N . THR A 1 62 . -12.931 82.118 52.137 1 33.87 ? N THR A 62 1 -ATOM 435 C CA . THR A 1 62 . -12.587 81.857 53.529 1 30.62 ? CA THR A 62 1 -ATOM 436 C C . THR A 1 62 . -11.978 80.477 53.615 1 28.79 ? C THR A 62 1 -ATOM 437 O O . THR A 1 62 . -12.095 79.707 52.675 1 32.61 ? O THR A 62 1 -ATOM 438 C CB . THR A 1 62 . -13.883 82.017 54.348 1 31.32 ? CB THR A 62 1 -ATOM 439 O OG1 . THR A 1 62 . -14.976 81.404 53.663 1 29.68 ? OG1 THR A 62 1 -ATOM 440 C CG2 . THR A 1 62 . -14.286 83.49 54.576 1 31.03 ? CG2 THR A 62 1 -ATOM 441 N N . TYR A 1 63 . -11.3 80.174 54.729 1 25.93 ? N TYR A 63 1 -ATOM 442 C CA . TYR A 1 63 . -10.717 78.836 54.813 1 19.78 ? CA TYR A 63 1 -ATOM 443 C C . TYR A 1 63 . -11.796 77.818 55.072 1 18.69 ? C TYR A 63 1 -ATOM 444 O O . TYR A 1 63 . -12.836 78.14 55.619 1 18.46 ? O TYR A 63 1 -ATOM 445 C CB . TYR A 1 63 . -9.722 78.71 55.951 1 15.15 ? CB TYR A 63 1 -ATOM 446 C CG . TYR A 1 63 . -8.453 79.424 55.622 1 15.43 ? CG TYR A 63 1 -ATOM 447 C CD1 . TYR A 1 63 . -7.489 78.794 54.827 1 15.81 ? CD1 TYR A 63 1 -ATOM 448 C CD2 . TYR A 1 63 . -8.225 80.72 56.109 1 17.62 ? CD2 TYR A 63 1 -ATOM 449 C CE1 . TYR A 1 63 . -6.285 79.443 54.537 1 19.43 ? CE1 TYR A 63 1 -ATOM 450 C CE2 . TYR A 1 63 . -7.024 81.375 55.809 1 20.65 ? CE2 TYR A 63 1 -ATOM 451 C CZ . TYR A 1 63 . -6.048 80.737 55.025 1 19.7 ? CZ TYR A 63 1 -ATOM 452 O OH . TYR A 1 63 . -4.857 81.38 54.735 1 24.19 ? OH TYR A 63 1 -ATOM 453 N N . PRO A 1 64 . -11.522 76.573 54.693 1 19.06 ? N PRO A 64 1 -ATOM 454 C CA . PRO A 1 64 . -12.468 75.517 55.001 1 20.68 ? CA PRO A 64 1 -ATOM 455 C C . PRO A 1 64 . -12.327 75.036 56.444 1 18.38 ? C PRO A 64 1 -ATOM 456 O O . PRO A 1 64 . -11.485 75.45 57.224 1 17.54 ? O PRO A 64 1 -ATOM 457 C CB . PRO A 1 64 . -12.081 74.422 53.982 1 22.54 ? CB PRO A 64 1 -ATOM 458 C CG . PRO A 1 64 . -10.591 74.661 53.665 1 21.58 ? CG PRO A 64 1 -ATOM 459 C CD . PRO A 1 64 . -10.386 76.162 53.866 1 19.54 ? CD PRO A 64 1 -ATOM 460 N N . ASN A 1 65 . -13.221 74.112 56.766 1 20.56 ? N ASN A 65 1 -ATOM 461 C CA . ASN A 1 65 . -13.196 73.527 58.091 1 23.26 ? CA ASN A 65 1 -ATOM 462 C C . ASN A 1 65 . -11.989 72.626 58.109 1 22.74 ? C ASN A 65 1 -ATOM 463 O O . ASN A 1 65 . -11.47 72.232 57.067 1 23.75 ? O ASN A 65 1 -ATOM 464 C CB . ASN A 1 65 . -14.439 72.651 58.366 1 27.73 ? CB ASN A 65 1 -ATOM 465 C CG . ASN A 1 65 . -15.731 73.455 58.323 1 36.61 ? CG ASN A 65 1 -ATOM 466 O OD1 . ASN A 1 65 . -15.859 74.583 58.789 1 37.06 ? OD1 ASN A 65 1 -ATOM 467 N ND2 . ASN A 1 65 . -16.725 72.834 57.702 1 40.45 ? ND2 ASN A 65 1 -ATOM 468 N N . ASN A 1 66 . -11.573 72.259 59.314 1 21.64 ? N ASN A 66 1 -ATOM 469 C CA . ASN A 1 66 . -10.423 71.387 59.44 1 16.44 ? CA ASN A 66 1 -ATOM 470 C C . ASN A 1 66 . -10.979 70.013 59.711 1 16.55 ? C ASN A 66 1 -ATOM 471 O O . ASN A 1 66 . -12.11 69.833 60.146 1 14.3 ? O ASN A 66 1 -ATOM 472 C CB . ASN A 1 66 . -9.482 71.882 60.547 1 16.96 ? CB ASN A 66 1 -ATOM 473 C CG . ASN A 1 66 . -8.813 73.191 60.115 1 18.49 ? CG ASN A 66 1 -ATOM 474 O OD1 . ASN A 1 66 . -8.817 73.579 58.965 1 26.03 ? OD1 ASN A 66 1 -ATOM 475 N ND2 . ASN A 1 66 . -8.183 73.894 61.037 1 16.89 ? ND2 ASN A 66 1 -ATOM 476 N N . CYS A 1 67 . -10.185 68.993 59.417 1 17.25 ? N CYS A 67 1 -ATOM 477 C CA . CYS A 1 67 . -10.706 67.656 59.682 1 18.57 ? CA CYS A 67 1 -ATOM 478 C C . CYS A 1 67 . -10.667 67.45 61.184 1 19.81 ? C CYS A 67 1 -ATOM 479 O O . CYS A 1 67 . -9.984 68.203 61.875 1 20.61 ? O CYS A 67 1 -ATOM 480 C CB . CYS A 1 67 . -9.863 66.601 58.96 1 17.42 ? CB CYS A 67 1 -ATOM 481 S SG . CYS A 1 67 . -9.905 66.802 57.151 1 18.98 ? SG CYS A 67 1 -ATOM 482 N N . GLN A 1 68 . -11.393 66.439 61.675 1 17.55 ? N GLN A 68 1 -ATOM 483 C CA . GLN A 1 68 . -11.407 66.168 63.091 1 17.18 ? CA GLN A 68 1 -ATOM 484 C C . GLN A 1 68 . -10.043 65.664 63.483 1 19.88 ? C GLN A 68 1 -ATOM 485 O O . GLN A 1 68 . -9.417 64.953 62.712 1 21.99 ? O GLN A 68 1 -ATOM 486 C CB . GLN A 1 68 . -12.416 65.039 63.353 1 15.22 ? CB GLN A 68 1 -ATOM 487 C CG . GLN A 1 68 . -13.847 65.325 62.915 1 18.79 ? CG GLN A 68 1 -ATOM 488 C CD . GLN A 1 68 . -14.639 66.144 63.915 1 21.79 ? CD GLN A 68 1 -ATOM 489 O OE1 . GLN A 1 68 . -15.813 65.936 64.118 1 25.17 ? OE1 GLN A 68 1 -ATOM 490 N NE2 . GLN A 1 68 . -14.006 67.092 64.571 1 21.53 ? NE2 GLN A 68 1 -ATOM 491 N N . GLN A 1 69 . -9.585 66.025 64.673 1 20.12 ? N GLN A 69 1 -ATOM 492 C CA . GLN A 1 69 . -8.279 65.555 65.08 1 18.14 ? CA GLN A 69 1 -ATOM 493 C C . GLN A 1 69 . -8.147 65.827 66.551 1 17.2 ? C GLN A 69 1 -ATOM 494 O O . GLN A 1 69 . -9.001 66.466 67.156 1 19.15 ? O GLN A 69 1 -ATOM 495 C CB . GLN A 1 69 . -7.197 66.296 64.294 1 13.21 ? CB GLN A 69 1 -ATOM 496 C CG . GLN A 1 69 . -7.408 67.813 64.392 1 13.01 ? CG GLN A 69 1 -ATOM 497 C CD . GLN A 1 69 . -6.498 68.483 63.423 1 16.68 ? CD GLN A 69 1 -ATOM 498 O OE1 . GLN A 1 69 . -5.318 68.723 63.68 1 11.84 ? OE1 GLN A 69 1 -ATOM 499 N NE2 . GLN A 1 69 . -7.09 68.699 62.256 1 13.06 ? NE2 GLN A 69 1 -ATOM 500 N N . TYR A 1 70 . -7.044 65.343 67.113 1 14.49 ? N TYR A 70 1 -ATOM 501 C CA . TYR A 1 70 . -6.79 65.538 68.513 1 12.98 ? CA TYR A 70 1 -ATOM 502 C C . TYR A 1 70 . -6.205 66.938 68.694 1 15.14 ? C TYR A 70 1 -ATOM 503 O O . TYR A 1 70 . -5.191 67.281 68.101 1 14.54 ? O TYR A 70 1 -ATOM 504 C CB . TYR A 1 70 . -5.84 64.438 68.969 1 12.17 ? CB TYR A 70 1 -ATOM 505 C CG . TYR A 1 70 . -5.233 64.737 70.316 1 23.88 ? CG TYR A 70 1 -ATOM 506 C CD1 . TYR A 1 70 . -5.991 64.599 71.488 1 25.6 ? CD1 TYR A 70 1 -ATOM 507 C CD2 . TYR A 1 70 . -3.895 65.176 70.399 1 30.1 ? CD2 TYR A 70 1 -ATOM 508 C CE1 . TYR A 1 70 . -5.41 64.871 72.737 1 33.68 ? CE1 TYR A 70 1 -ATOM 509 C CE2 . TYR A 1 70 . -3.309 65.448 71.647 1 34.94 ? CE2 TYR A 70 1 -ATOM 510 C CZ . TYR A 1 70 . -4.068 65.298 72.822 1 37.28 ? CZ TYR A 70 1 -ATOM 511 O OH . TYR A 1 70 . -3.512 65.59 74.064 1 42.92 ? OH TYR A 70 1 -ATOM 512 N N . VAL A 1 71 . -6.861 67.738 69.544 1 15.09 ? N VAL A 71 1 -ATOM 513 C CA . VAL A 1 71 . -6.376 69.079 69.781 1 17.72 ? CA VAL A 71 1 -ATOM 514 C C . VAL A 1 71 . -5.276 68.956 70.821 1 20.76 ? C VAL A 71 1 -ATOM 515 O O . VAL A 1 71 . -5.424 68.232 71.802 1 23.36 ? O VAL A 71 1 -ATOM 516 C CB . VAL A 1 71 . -7.523 69.971 70.266 1 13.32 ? CB VAL A 71 1 -ATOM 517 C CG1 . VAL A 1 71 . -7.165 71.45 70.135 1 14.34 ? CG1 VAL A 71 1 -ATOM 518 C CG2 . VAL A 1 71 . -8.824 69.702 69.504 1 20.84 ? CG2 VAL A 71 1 -ATOM 519 N N . ASP A 1 72 . -4.183 69.698 70.626 1 20.45 ? N ASP A 72 1 -ATOM 520 C CA . ASP A 1 72 . -3.127 69.544 71.594 1 21.84 ? CA ASP A 72 1 -ATOM 521 C C . ASP A 1 72 . -3.302 70.556 72.658 1 26.3 ? C ASP A 72 1 -ATOM 522 O O . ASP A 1 72 . -3.206 71.743 72.396 1 30.97 ? O ASP A 72 1 -ATOM 523 C CB . ASP A 1 72 . -1.754 69.806 70.955 1 20.11 ? CB ASP A 72 1 -ATOM 524 C CG . ASP A 1 72 . -0.569 69.712 71.938 1 16.69 ? CG ASP A 72 1 -ATOM 525 O OD1 . ASP A 1 72 . -0.73 69.182 73.035 1 14.3 ? OD1 ASP A 72 1 -ATOM 526 O OD2 . ASP A 1 72 . 0.509 70.179 71.599 1 15.91 ? OD2 ASP A 72 1 -ATOM 527 N N . GLU A 1 73 . -3.506 70.103 73.893 1 26.74 ? N GLU A 73 1 -ATOM 528 C CA . GLU A 1 73 . -3.64 71.101 74.945 1 27.99 ? CA GLU A 73 1 -ATOM 529 C C . GLU A 1 73 . -2.727 70.78 76.094 1 27.05 ? C GLU A 73 1 -ATOM 530 O O . GLU A 1 73 . -3.059 70.917 77.258 1 29.33 ? O GLU A 73 1 -ATOM 531 C CB . GLU A 1 73 . -5.101 71.421 75.302 1 27.16 ? CB GLU A 73 1 -ATOM 532 C CG . GLU A 1 73 . -5.977 70.214 75.663 1 24.07 ? CG GLU A 73 1 -ATOM 533 C CD . GLU A 1 73 . -7.451 70.568 75.563 1 25.62 ? CD GLU A 73 1 -ATOM 534 O OE1 . GLU A 1 73 . -7.784 71.736 75.339 1 26.72 ? OE1 GLU A 73 1 -ATOM 535 O OE2 . GLU A 1 73 . -8.264 69.66 75.686 1 28.37 ? OE2 GLU A 73 1 -ATOM 536 N N . GLN A 1 74 . -1.517 70.335 75.725 1 24.18 ? N GLN A 74 1 -ATOM 537 C CA . GLN A 1 74 . -0.546 70.019 76.766 1 19.75 ? CA GLN A 74 1 -ATOM 538 C C . GLN A 1 74 . 0.044 71.294 77.338 1 19.07 ? C GLN A 74 1 -ATOM 539 O O . GLN A 1 74 . 0.621 71.275 78.414 1 27.55 ? O GLN A 74 1 -ATOM 540 C CB . GLN A 1 74 . 0.568 69.058 76.295 1 17.91 ? CB GLN A 74 1 -ATOM 541 C CG . GLN A 1 74 . 1.124 68.127 77.404 1 15.27 ? CG GLN A 74 1 -ATOM 542 C CD . GLN A 1 74 . 1.981 68.819 78.458 1 19.09 ? CD GLN A 74 1 -ATOM 543 N N . PHE A 1 75 . -0.054 72.391 76.599 1 16.81 ? N PHE A 75 1 -ATOM 544 C CA . PHE A 1 75 . 0.473 73.652 77.11 1 14.63 ? CA PHE A 75 1 -ATOM 545 C C . PHE A 1 75 . -0.519 74.701 76.67 1 15.75 ? C PHE A 75 1 -ATOM 546 O O . PHE A 1 75 . -0.237 75.476 75.759 1 12.66 ? O PHE A 75 1 -ATOM 547 C CB . PHE A 1 75 . 1.868 73.986 76.534 1 15.63 ? CB PHE A 75 1 -ATOM 548 C CG . PHE A 1 75 . 2.928 72.957 76.865 1 18.37 ? CG PHE A 75 1 -ATOM 549 C CD1 . PHE A 1 75 . 3.598 72.994 78.1 1 20.71 ? CD1 PHE A 75 1 -ATOM 550 C CD2 . PHE A 1 75 . 3.258 71.951 75.946 1 18.7 ? CD2 PHE A 75 1 -ATOM 551 C CE1 . PHE A 1 75 . 4.584 72.045 78.399 1 19.08 ? CE1 PHE A 75 1 -ATOM 552 C CE2 . PHE A 1 75 . 4.235 70.996 76.251 1 18.19 ? CE2 PHE A 75 1 -ATOM 553 C CZ . PHE A 1 75 . 4.903 71.041 77.477 1 17.69 ? CZ PHE A 75 1 -ATOM 554 N N . PRO A 1 76 . -1.744 74.678 77.265 1 16.59 ? N PRO A 76 1 -ATOM 555 C CA . PRO A 1 76 . -2.817 75.523 76.755 1 14.83 ? CA PRO A 76 1 -ATOM 556 C C . PRO A 1 76 . -2.395 76.96 76.723 1 13.89 ? C PRO A 76 1 -ATOM 557 O O . PRO A 1 76 . -1.759 77.441 77.645 1 13.58 ? O PRO A 76 1 -ATOM 558 C CB . PRO A 1 76 . -3.987 75.306 77.719 1 8.91 ? CB PRO A 76 1 -ATOM 559 C CG . PRO A 1 76 . -3.7 73.971 78.406 1 14.56 ? CG PRO A 76 1 -ATOM 560 C CD . PRO A 1 76 . -2.166 73.842 78.392 1 16.53 ? CD PRO A 76 1 -ATOM 561 N N . GLY A 1 77 . -2.741 77.619 75.619 1 15.94 ? N GLY A 77 1 -ATOM 562 C CA . GLY A 1 77 . -2.389 79.024 75.478 1 19.13 ? CA GLY A 77 1 -ATOM 563 C C . GLY A 1 77 . -0.983 79.255 74.957 1 20.3 ? C GLY A 77 1 -ATOM 564 O O . GLY A 1 77 . -0.685 80.291 74.364 1 21.3 ? O GLY A 77 1 -ATOM 565 N N . PHE A 1 78 . -0.109 78.252 75.139 1 15.84 ? N PHE A 78 1 -ATOM 566 C CA . PHE A 1 78 . 1.246 78.45 74.67 1 12.27 ? CA PHE A 78 1 -ATOM 567 C C . PHE A 1 78 . 1.308 78.493 73.158 1 14.11 ? C PHE A 78 1 -ATOM 568 O O . PHE A 1 78 . 0.957 77.528 72.493 1 13.8 ? O PHE A 78 1 -ATOM 569 C CB . PHE A 1 78 . 2.119 77.307 75.17 1 5.3 ? CB PHE A 78 1 -ATOM 570 C CG . PHE A 1 78 . 3.577 77.446 74.816 1 2 ? CG PHE A 78 1 -ATOM 571 C CD1 . PHE A 1 78 . 4.231 78.684 74.89 1 2 ? CD1 PHE A 78 1 -ATOM 572 C CD2 . PHE A 1 78 . 4.3 76.31 74.427 1 4.23 ? CD2 PHE A 78 1 -ATOM 573 C CE1 . PHE A 1 78 . 5.597 78.78 74.589 1 4.27 ? CE1 PHE A 78 1 -ATOM 574 C CE2 . PHE A 1 78 . 5.664 76.406 74.135 1 2 ? CE2 PHE A 78 1 -ATOM 575 C CZ . PHE A 1 78 . 6.313 77.638 74.221 1 3.02 ? CZ PHE A 78 1 -ATOM 576 N N . SER A 1 79 . 1.815 79.598 72.611 1 14.75 ? N SER A 79 1 -ATOM 577 C CA . SER A 1 79 . 1.897 79.7 71.151 1 15.44 ? CA SER A 79 1 -ATOM 578 C C . SER A 1 79 . 2.697 78.584 70.502 1 14.29 ? C SER A 79 1 -ATOM 579 O O . SER A 1 79 . 2.311 78.023 69.49 1 16.49 ? O SER A 79 1 -ATOM 580 C CB . SER A 1 79 . 2.481 81.045 70.71 1 15.68 ? CB SER A 79 1 -ATOM 581 O OG . SER A 1 79 . 3.691 81.268 71.437 1 27.82 ? OG SER A 79 1 -ATOM 582 N N . GLY A 1 80 . 3.81 78.235 71.123 1 11.96 ? N GLY A 80 1 -ATOM 583 C CA . GLY A 1 80 . 4.616 77.182 70.527 1 13.22 ? CA GLY A 80 1 -ATOM 584 C C . GLY A 1 80 . 3.864 75.898 70.204 1 11.3 ? C GLY A 80 1 -ATOM 585 O O . GLY A 1 80 . 4.277 75.133 69.351 1 10.75 ? O GLY A 80 1 -ATOM 586 N N . SER A 1 81 . 2.763 75.636 70.908 1 13.86 ? N SER A 81 1 -ATOM 587 C CA . SER A 1 81 . 2.028 74.419 70.622 1 18.66 ? CA SER A 81 1 -ATOM 588 C C . SER A 1 81 . 0.785 74.773 69.848 1 19.99 ? C SER A 81 1 -ATOM 589 O O . SER A 1 81 . 0.384 74.134 68.881 1 22.67 ? O SER A 81 1 -ATOM 590 C CB . SER A 1 81 . 1.723 73.612 71.906 1 18.45 ? CB SER A 81 1 -ATOM 591 O OG . SER A 1 81 . 0.831 74.263 72.818 1 22.06 ? OG SER A 81 1 -ATOM 592 N N . GLU A 1 82 . 0.18 75.859 70.287 1 22.4 ? N GLU A 82 1 -ATOM 593 C CA . GLU A 1 82 . -1.04 76.335 69.685 1 25.67 ? CA GLU A 82 1 -ATOM 594 C C . GLU A 1 82 . -0.906 76.617 68.2 1 23.3 ? C GLU A 82 1 -ATOM 595 O O . GLU A 1 82 . -1.831 76.37 67.44 1 27.14 ? O GLU A 82 1 -ATOM 596 C CB . GLU A 1 82 . -1.532 77.605 70.422 1 32.47 ? CB GLU A 82 1 -ATOM 597 C CG . GLU A 1 82 . -1.881 77.416 71.915 1 36.84 ? CG GLU A 82 1 -ATOM 598 C CD . GLU A 1 82 . -3.27 76.83 72.117 1 43.72 ? CD GLU A 82 1 -ATOM 599 O OE1 . GLU A 1 82 . -3.543 75.763 71.555 1 46.39 ? OE1 GLU A 82 1 -ATOM 600 O OE2 . GLU A 1 82 . -4.068 77.443 72.835 1 46.73 ? OE2 GLU A 82 1 -ATOM 601 N N . MET A 1 83 . 0.248 77.12 67.78 1 18.06 ? N MET A 83 1 -ATOM 602 C CA . MET A 1 83 . 0.401 77.412 66.36 1 17.25 ? CA MET A 83 1 -ATOM 603 C C . MET A 1 83 . 0.068 76.234 65.434 1 17.9 ? C MET A 83 1 -ATOM 604 O O . MET A 1 83 . -0.217 76.428 64.259 1 21.67 ? O MET A 83 1 -ATOM 605 C CB . MET A 1 83 . 1.822 77.934 66.058 1 15.6 ? CB MET A 83 1 -ATOM 606 C CG . MET A 1 83 . 2.927 76.975 66.505 1 19.41 ? CG MET A 83 1 -ATOM 607 S SD . MET A 1 83 . 4.383 77.143 65.446 1 28.06 ? SD MET A 83 1 -ATOM 608 C CE . MET A 1 83 . 5.245 78.487 66.29 1 35.21 ? CE MET A 83 1 -ATOM 609 N N . TRP A 1 84 . 0.122 75.015 65.987 1 13.03 ? N TRP A 84 1 -ATOM 610 C CA . TRP A 1 84 . -0.154 73.823 65.211 1 10.68 ? CA TRP A 84 1 -ATOM 611 C C . TRP A 1 84 . -1.55 73.249 65.396 1 11.34 ? C TRP A 84 1 -ATOM 612 O O . TRP A 1 84 . -1.813 72.168 64.877 1 14.46 ? O TRP A 84 1 -ATOM 613 C CB . TRP A 1 84 . 0.789 72.67 65.625 1 11.48 ? CB TRP A 84 1 -ATOM 614 C CG . TRP A 1 84 . 2.245 73.044 65.576 1 11.73 ? CG TRP A 84 1 -ATOM 615 C CD1 . TRP A 1 84 . 3.028 73.442 66.672 1 10.38 ? CD1 TRP A 84 1 -ATOM 616 C CD2 . TRP A 1 84 . 3.062 73.098 64.437 1 12.68 ? CD2 TRP A 84 1 -ATOM 617 N NE1 . TRP A 1 84 . 4.277 73.747 66.266 1 9.3 ? NE1 TRP A 84 1 -ATOM 618 C CE2 . TRP A 1 84 . 4.378 73.566 64.911 1 12.27 ? CE2 TRP A 84 1 -ATOM 619 C CE3 . TRP A 1 84 . 2.858 72.867 63.071 1 14.19 ? CE3 TRP A 84 1 -ATOM 620 C CZ2 . TRP A 1 84 . 5.406 73.766 63.977 1 13.17 ? CZ2 TRP A 84 1 -ATOM 621 C CZ3 . TRP A 1 84 . 3.909 73.089 62.167 1 12.49 ? CZ3 TRP A 84 1 -ATOM 622 C CH2 . TRP A 1 84 . 5.167 73.528 62.615 1 12.78 ? CH2 TRP A 84 1 -ATOM 623 N N . ASN A 1 85 . -2.439 73.908 66.131 1 11.34 ? N ASN A 85 1 -ATOM 624 C CA . ASN A 1 85 . -3.767 73.296 66.338 1 14.49 ? CA ASN A 85 1 -ATOM 625 C C . ASN A 1 85 . -4.784 73.834 65.359 1 15.95 ? C ASN A 85 1 -ATOM 626 O O . ASN A 1 85 . -4.643 74.972 64.916 1 19.96 ? O ASN A 85 1 -ATOM 627 C CB . ASN A 1 85 . -4.309 73.642 67.73 1 19.34 ? CB ASN A 85 1 -ATOM 628 C CG . ASN A 1 85 . -3.765 72.718 68.778 1 22.6 ? CG ASN A 85 1 -ATOM 629 O OD1 . ASN A 1 85 . -2.968 71.846 68.502 1 26.16 ? OD1 ASN A 85 1 -ATOM 630 N ND2 . ASN A 1 85 . -4.202 72.907 70.003 1 26.67 ? ND2 ASN A 85 1 -ATOM 631 N N . PRO A 1 86 . -5.85 73.044 65.055 1 10.84 ? N PRO A 86 1 -ATOM 632 C CA . PRO A 1 86 . -6.83 73.496 64.089 1 12.43 ? CA PRO A 86 1 -ATOM 633 C C . PRO A 1 86 . -7.317 74.875 64.47 1 14.14 ? C PRO A 86 1 -ATOM 634 O O . PRO A 1 86 . -7.778 75.053 65.585 1 23.78 ? O PRO A 86 1 -ATOM 635 C CB . PRO A 1 86 . -7.953 72.437 64.107 1 8.3 ? CB PRO A 86 1 -ATOM 636 C CG . PRO A 1 86 . -7.633 71.487 65.26 1 7.62 ? CG PRO A 86 1 -ATOM 637 C CD . PRO A 1 86 . -6.166 71.751 65.639 1 12.16 ? CD PRO A 86 1 -ATOM 638 N N . ASN A 1 87 . -7.184 75.827 63.546 1 13.45 ? N ASN A 87 1 -ATOM 639 C CA . ASN A 1 87 . -7.612 77.184 63.822 1 11.93 ? CA ASN A 87 1 -ATOM 640 C C . ASN A 1 87 . -8.935 77.473 63.171 1 14.55 ? C ASN A 87 1 -ATOM 641 O O . ASN A 1 87 . -9.237 78.627 62.907 1 18.89 ? O ASN A 87 1 -ATOM 642 C CB . ASN A 1 87 . -6.571 78.188 63.3 1 14.24 ? CB ASN A 87 1 -ATOM 643 C CG . ASN A 1 87 . -6.456 78.117 61.801 1 16.61 ? CG ASN A 87 1 -ATOM 644 O OD1 . ASN A 1 87 . -6.933 77.187 61.179 1 21.68 ? OD1 ASN A 87 1 -ATOM 645 N ND2 . ASN A 1 87 . -5.786 79.091 61.213 1 23.1 ? ND2 ASN A 87 1 -ATOM 646 N N . ARG A 1 88 . -9.727 76.438 62.877 1 17.04 ? N ARG A 88 1 -ATOM 647 C CA . ARG A 1 88 . -11.026 76.615 62.228 1 16.41 ? CA ARG A 88 1 -ATOM 648 C C . ARG A 1 88 . -11.9 75.523 62.793 1 15.6 ? C ARG A 88 1 -ATOM 649 O O . ARG A 1 88 . -11.425 74.616 63.461 1 19.57 ? O ARG A 88 1 -ATOM 650 C CB . ARG A 1 88 . -10.897 76.429 60.692 1 18.43 ? CB ARG A 88 1 -ATOM 651 C CG . ARG A 1 88 . -10.398 77.678 59.953 1 18.59 ? CG ARG A 88 1 -ATOM 652 C CD . ARG A 1 88 . -11.553 78.663 59.658 1 25.23 ? CD ARG A 88 1 -ATOM 653 N NE . ARG A 1 88 . -11.109 79.955 59.127 1 30.01 ? NE ARG A 88 1 -ATOM 654 C CZ . ARG A 1 88 . -10.173 80.693 59.756 1 28.05 ? CZ ARG A 88 1 -ATOM 655 N N . GLU A 1 89 . -13.204 75.606 62.516 1 14.4 ? N GLU A 89 1 -ATOM 656 C CA . GLU A 1 89 . -14.088 74.573 63.058 1 14.71 ? CA GLU A 89 1 -ATOM 657 C C . GLU A 1 89 . -13.716 73.272 62.445 1 12.51 ? C GLU A 89 1 -ATOM 658 O O . GLU A 1 89 . -13.467 73.181 61.256 1 15.65 ? O GLU A 89 1 -ATOM 659 C CB . GLU A 1 89 . -15.585 74.844 62.744 1 19.87 ? CB GLU A 89 1 -ATOM 660 C CG . GLU A 1 89 . -16.649 73.877 63.346 1 26.55 ? CG GLU A 89 1 -ATOM 661 N N . MET A 1 90 . -13.654 72.264 63.28 1 12.4 ? N MET A 90 1 -ATOM 662 C CA . MET A 1 90 . -13.329 70.979 62.735 1 12.4 ? CA MET A 90 1 -ATOM 663 C C . MET A 1 90 . -14.657 70.444 62.245 1 13.29 ? C MET A 90 1 -ATOM 664 O O . MET A 1 90 . -15.685 70.875 62.764 1 11.14 ? O MET A 90 1 -ATOM 665 C CB . MET A 1 90 . -12.753 70.062 63.817 1 13.61 ? CB MET A 90 1 -ATOM 666 C CG . MET A 1 90 . -11.597 70.693 64.597 1 13.67 ? CG MET A 90 1 -ATOM 667 S SD . MET A 1 90 . -10.606 69.351 65.317 1 19.43 ? SD MET A 90 1 -ATOM 668 C CE . MET A 1 90 . -11.676 68.792 66.655 1 20.51 ? CE MET A 90 1 -ATOM 669 N N . SER A 1 91 . -14.617 69.531 61.273 1 13.06 ? N SER A 91 1 -ATOM 670 C CA . SER A 1 91 . -15.811 68.921 60.732 1 14.99 ? CA SER A 91 1 -ATOM 671 C C . SER A 1 91 . -15.326 67.704 59.97 1 15.19 ? C SER A 91 1 -ATOM 672 O O . SER A 1 91 . -14.161 67.604 59.592 1 14.69 ? O SER A 91 1 -ATOM 673 C CB . SER A 1 91 . -16.52 69.899 59.763 1 18.9 ? CB SER A 91 1 -ATOM 674 O OG . SER A 1 91 . -17.801 69.436 59.296 1 25.45 ? OG SER A 91 1 -ATOM 675 N N . GLU A 1 92 . -16.25 66.746 59.745 1 13.93 ? N GLU A 92 1 -ATOM 676 C CA . GLU A 1 92 . -15.851 65.579 58.959 1 13.9 ? CA GLU A 92 1 -ATOM 677 C C . GLU A 1 92 . -15.772 66.009 57.501 1 18.57 ? C GLU A 92 1 -ATOM 678 O O . GLU A 1 92 . -15.003 65.503 56.698 1 20.05 ? O GLU A 92 1 -ATOM 679 C CB . GLU A 1 92 . -16.781 64.389 59.12 1 10.43 ? CB GLU A 92 1 -ATOM 680 C CG . GLU A 1 92 . -16.496 63.628 60.415 1 12.39 ? CG GLU A 92 1 -ATOM 681 C CD . GLU A 1 92 . -17.146 62.256 60.346 1 13.13 ? CD GLU A 92 1 -ATOM 682 O OE1 . GLU A 1 92 . -18.335 62.159 60.636 1 10.48 ? OE1 GLU A 92 1 -ATOM 683 O OE2 . GLU A 1 92 . -16.46 61.294 59.986 1 16.23 ? OE2 GLU A 92 1 -ATOM 684 N N . ASP A 1 93 . -16.625 66.984 57.189 1 17.71 ? N ASP A 93 1 -ATOM 685 C CA . ASP A 1 93 . -16.665 67.591 55.878 1 17.64 ? CA ASP A 93 1 -ATOM 686 C C . ASP A 1 93 . -15.462 68.539 55.844 1 19.89 ? C ASP A 93 1 -ATOM 687 O O . ASP A 1 93 . -15.565 69.715 56.197 1 20.41 ? O ASP A 93 1 -ATOM 688 C CB . ASP A 1 93 . -17.978 68.384 55.757 1 17.65 ? CB ASP A 93 1 -ATOM 689 C CG . ASP A 1 93 . -18.136 69.104 54.433 1 23.35 ? CG ASP A 93 1 -ATOM 690 O OD1 . ASP A 1 93 . -17.123 69.476 53.846 1 22 ? OD1 ASP A 93 1 -ATOM 691 O OD2 . ASP A 1 93 . -19.273 69.294 53.993 1 26.9 ? OD2 ASP A 93 1 -ATOM 692 N N . CYS A 1 94 . -14.311 68.01 55.427 1 18.5 ? N CYS A 94 1 -ATOM 693 C CA . CYS A 1 94 . -13.14 68.872 55.416 1 18.58 ? CA CYS A 94 1 -ATOM 694 C C . CYS A 1 94 . -12.241 68.687 54.217 1 20.84 ? C CYS A 94 1 -ATOM 695 O O . CYS A 1 94 . -11.129 69.207 54.206 1 24.77 ? O CYS A 94 1 -ATOM 696 C CB . CYS A 1 94 . -12.313 68.57 56.663 1 15.68 ? CB CYS A 94 1 -ATOM 697 S SG . CYS A 1 94 . -11.885 66.805 56.66 1 8.01 ? SG CYS A 94 1 -ATOM 698 N N . LEU A 1 95 . -12.699 67.928 53.211 1 17.6 ? N LEU A 95 1 -ATOM 699 C CA . LEU A 1 95 . -11.859 67.746 52.024 1 15.22 ? CA LEU A 95 1 -ATOM 700 C C . LEU A 1 95 . -12.026 68.932 51.043 1 13.32 ? C LEU A 95 1 -ATOM 701 O O . LEU A 1 95 . -12.969 68.98 50.253 1 14.93 ? O LEU A 95 1 -ATOM 702 C CB . LEU A 1 95 . -12.223 66.423 51.337 1 11.27 ? CB LEU A 95 1 -ATOM 703 C CG . LEU A 1 95 . -11.924 65.184 52.183 1 9.22 ? CG LEU A 95 1 -ATOM 704 C CD1 . LEU A 1 95 . -12.398 63.918 51.459 1 12.24 ? CD1 LEU A 95 1 -ATOM 705 C CD2 . LEU A 1 95 . -10.42 65.086 52.473 1 9.44 ? CD2 LEU A 95 1 -ATOM 706 N N . TYR A 1 96 . -11.101 69.895 51.13 1 9.45 ? N TYR A 96 1 -ATOM 707 C CA . TYR A 1 96 . -11.074 71.093 50.284 1 10.39 ? CA TYR A 96 1 -ATOM 708 C C . TYR A 1 96 . -9.627 71.405 50.015 1 9.24 ? C TYR A 96 1 -ATOM 709 O O . TYR A 1 96 . -8.755 70.757 50.572 1 11.56 ? O TYR A 96 1 -ATOM 710 C CB . TYR A 1 96 . -11.648 72.315 51.011 1 6.27 ? CB TYR A 96 1 -ATOM 711 C CG . TYR A 1 96 . -13.088 72.116 51.361 1 12.78 ? CG TYR A 96 1 -ATOM 712 C CD1 . TYR A 1 96 . -13.465 71.437 52.529 1 17.73 ? CD1 TYR A 96 1 -ATOM 713 C CD2 . TYR A 1 96 . -14.069 72.62 50.511 1 17.02 ? CD2 TYR A 96 1 -ATOM 714 C CE1 . TYR A 1 96 . -14.825 71.256 52.837 1 24.42 ? CE1 TYR A 96 1 -ATOM 715 C CE2 . TYR A 1 96 . -15.421 72.46 50.809 1 23.71 ? CE2 TYR A 96 1 -ATOM 716 C CZ . TYR A 1 96 . -15.807 71.768 51.968 1 25.91 ? CZ TYR A 96 1 -ATOM 717 O OH . TYR A 1 96 . -17.15 71.591 52.241 1 30.42 ? OH TYR A 96 1 -ATOM 718 N N . LEU A 1 97 . -9.366 72.384 49.156 1 7.65 ? N LEU A 97 1 -ATOM 719 C CA . LEU A 1 97 . -7.987 72.753 48.892 1 7.91 ? CA LEU A 97 1 -ATOM 720 C C . LEU A 1 97 . -7.95 74.249 48.762 1 9.01 ? C LEU A 97 1 -ATOM 721 O O . LEU A 1 97 . -8.992 74.87 48.596 1 10.81 ? O LEU A 97 1 -ATOM 722 C CB . LEU A 1 97 . -7.373 71.963 47.728 1 9.23 ? CB LEU A 97 1 -ATOM 723 C CG . LEU A 1 97 . -8.126 71.943 46.392 1 6.13 ? CG LEU A 97 1 -ATOM 724 C CD1 . LEU A 1 97 . -8.029 73.281 45.657 1 8.91 ? CD1 LEU A 97 1 -ATOM 725 C CD2 . LEU A 1 97 . -7.571 70.818 45.512 1 3.47 ? CD2 LEU A 97 1 -ATOM 726 N N . ASN A 1 98 . -6.752 74.834 48.859 1 11.33 ? N ASN A 98 1 -ATOM 727 C CA . ASN A 1 98 . -6.601 76.3 48.768 1 13.7 ? CA ASN A 98 1 -ATOM 728 C C . ASN A 1 98 . -5.518 76.564 47.749 1 16.15 ? C ASN A 98 1 -ATOM 729 O O . ASN A 1 98 . -4.615 75.746 47.647 1 20.18 ? O ASN A 98 1 -ATOM 730 C CB . ASN A 1 98 . -6.149 76.913 50.122 1 17.58 ? CB ASN A 98 1 -ATOM 731 C CG . ASN A 1 98 . -6.964 76.389 51.307 1 18.01 ? CG ASN A 98 1 -ATOM 732 O OD1 . ASN A 1 98 . -8.144 76.679 51.485 1 12.42 ? OD1 ASN A 98 1 -ATOM 733 N ND2 . ASN A 1 98 . -6.307 75.544 52.103 1 16.23 ? ND2 ASN A 98 1 -ATOM 734 N N . ILE A 1 99 . -5.592 77.688 47.031 1 18.79 ? N ILE A 99 1 -ATOM 735 C CA . ILE A 1 99 . -4.629 78.04 45.997 1 15.69 ? CA ILE A 99 1 -ATOM 736 C C . ILE A 1 99 . -4.294 79.528 46.085 1 12.75 ? C ILE A 99 1 -ATOM 737 O O . ILE A 1 99 . -5.196 80.364 46.115 1 12.25 ? O ILE A 99 1 -ATOM 738 C CB . ILE A 1 99 . -5.339 77.82 44.625 1 21.08 ? CB ILE A 99 1 -ATOM 739 C CG1 . ILE A 1 99 . -6.118 76.476 44.526 1 22.08 ? CG1 ILE A 99 1 -ATOM 740 C CG2 . ILE A 1 99 . -4.408 78.076 43.422 1 20.15 ? CG2 ILE A 99 1 -ATOM 741 C CD1 . ILE A 1 99 . -6.87 76.28 43.201 1 26.01 ? CD1 ILE A 99 1 -ATOM 742 N N . TRP A 1 100 . -3.013 79.861 46.12 1 10.55 ? N TRP A 100 1 -ATOM 743 C CA . TRP A 1 100 . -2.637 81.271 46.144 1 17.45 ? CA TRP A 100 1 -ATOM 744 C C . TRP A 1 100 . -2.096 81.427 44.763 1 23.25 ? C TRP A 100 1 -ATOM 745 O O . TRP A 1 100 . -1.264 80.608 44.366 1 28.28 ? O TRP A 100 1 -ATOM 746 C CB . TRP A 1 100 . -1.524 81.61 47.157 1 18.88 ? CB TRP A 100 1 -ATOM 747 C CG . TRP A 1 100 . -2.133 81.683 48.538 1 18.39 ? CG TRP A 100 1 -ATOM 748 C CD1 . TRP A 1 100 . -2.729 82.828 49.114 1 18.87 ? CD1 TRP A 100 1 -ATOM 749 C CD2 . TRP A 1 100 . -2.332 80.619 49.423 1 16.27 ? CD2 TRP A 100 1 -ATOM 750 N NE1 . TRP A 1 100 . -3.304 82.509 50.294 1 20.89 ? NE1 TRP A 100 1 -ATOM 751 C CE2 . TRP A 1 100 . -3.111 81.179 50.541 1 14.55 ? CE2 TRP A 100 1 -ATOM 752 C CE3 . TRP A 1 100 . -2.01 79.26 49.404 1 17 ? CE3 TRP A 100 1 -ATOM 753 C CZ2 . TRP A 1 100 . -3.551 80.332 51.55 1 15.08 ? CZ2 TRP A 100 1 -ATOM 754 C CZ3 . TRP A 1 100 . -2.458 78.443 50.445 1 16.68 ? CZ3 TRP A 100 1 -ATOM 755 C CH2 . TRP A 1 100 . -3.225 78.966 51.5 1 20.05 ? CH2 TRP A 100 1 -ATOM 756 N N . VAL A 1 101 . -2.574 82.443 44.034 1 25.62 ? N VAL A 101 1 -ATOM 757 C CA . VAL A 1 101 . -2.14 82.667 42.646 1 23.97 ? CA VAL A 101 1 -ATOM 758 C C . VAL A 1 101 . -1.583 84.09 42.563 1 24.09 ? C VAL A 101 1 -ATOM 759 O O . VAL A 1 101 . -2.116 84.979 43.228 1 26.95 ? O VAL A 101 1 -ATOM 760 C CB . VAL A 1 101 . -3.342 82.445 41.686 1 21.2 ? CB VAL A 101 1 -ATOM 761 C CG1 . VAL A 1 101 . -2.914 82.45 40.222 1 22.08 ? CG1 VAL A 101 1 -ATOM 762 C CG2 . VAL A 1 101 . -4.116 81.135 41.97 1 21.41 ? CG2 VAL A 101 1 -ATOM 763 N N . PRO A 1 102 . -0.491 84.299 41.786 1 21.15 ? N PRO A 102 1 -ATOM 764 C CA . PRO A 1 102 . -0.021 85.659 41.549 1 21.79 ? CA PRO A 102 1 -ATOM 765 C C . PRO A 1 102 . -1.007 86.572 40.836 1 27.45 ? C PRO A 102 1 -ATOM 766 O O . PRO A 1 102 . -2.032 86.168 40.293 1 29.87 ? O PRO A 102 1 -ATOM 767 C CB . PRO A 1 102 . 1.267 85.476 40.748 1 18.71 ? CB PRO A 102 1 -ATOM 768 C CG . PRO A 1 102 . 1.739 84.039 41.042 1 19.23 ? CG PRO A 102 1 -ATOM 769 C CD . PRO A 1 102 . 0.455 83.261 41.369 1 21.1 ? CD PRO A 102 1 -ATOM 770 N N . SER A 1 103 . -0.639 87.853 40.861 1 31.89 ? N SER A 103 1 -ATOM 771 C CA . SER A 1 103 . -1.418 88.895 40.214 1 36.65 ? CA SER A 103 1 -ATOM 772 C C . SER A 1 103 . -0.335 89.673 39.495 1 40.27 ? C SER A 103 1 -ATOM 773 O O . SER A 1 103 . 0.624 90.067 40.149 1 45.43 ? O SER A 103 1 -ATOM 774 C CB . SER A 1 103 . -2.139 89.825 41.201 1 33.6 ? CB SER A 103 1 -ATOM 775 O OG . SER A 1 103 . -2.995 90.716 40.485 1 36.95 ? OG SER A 103 1 -ATOM 776 N N . PRO A 1 104 . -0.464 89.891 38.178 1 39.36 ? N PRO A 104 1 -ATOM 777 C CA . PRO A 1 104 . -1.536 89.364 37.338 1 34.51 ? CA PRO A 104 1 -ATOM 778 C C . PRO A 1 104 . -1.392 87.856 37.227 1 29.79 ? C PRO A 104 1 -ATOM 779 O O . PRO A 1 104 . -0.305 87.316 37.385 1 27.4 ? O PRO A 104 1 -ATOM 780 C CB . PRO A 1 104 . -1.295 90.051 35.988 1 39.4 ? CB PRO A 104 1 -ATOM 781 C CG . PRO A 1 104 . 0.176 90.518 35.995 1 40.72 ? CG PRO A 104 1 -ATOM 782 C CD . PRO A 1 104 . 0.561 90.646 37.471 1 40.1 ? CD PRO A 104 1 -ATOM 783 N N . ARG A 1 105 . -2.532 87.204 36.976 1 25.21 ? N ARG A 105 1 -ATOM 784 C CA . ARG A 1 105 . -2.52 85.753 36.84 1 25.56 ? CA ARG A 105 1 -ATOM 785 C C . ARG A 1 105 . -1.487 85.352 35.791 1 28.23 ? C ARG A 105 1 -ATOM 786 O O . ARG A 1 105 . -1.502 85.94 34.72 1 31.77 ? O ARG A 105 1 -ATOM 787 C CB . ARG A 1 105 . -3.902 85.296 36.371 1 23.36 ? CB ARG A 105 1 -ATOM 788 C CG . ARG A 1 105 . -4.102 83.777 36.413 1 25.28 ? CG ARG A 105 1 -ATOM 789 C CD . ARG A 1 105 . -5.452 83.331 35.826 1 33.93 ? CD ARG A 105 1 -ATOM 790 N NE . ARG A 1 105 . -6.571 84.129 36.333 1 38.86 ? NE ARG A 105 1 -ATOM 791 C CZ . ARG A 1 105 . -7.844 83.856 35.996 1 40.85 ? CZ ARG A 105 1 -ATOM 792 N NH1 . ARG A 1 105 . -8.146 82.852 35.176 1 45.02 ? NH1 ARG A 105 1 -ATOM 793 N NH2 . ARG A 1 105 . -8.831 84.6 36.485 1 41.71 ? NH2 ARG A 105 1 -ATOM 794 N N . PRO A 1 106 . -0.605 84.386 36.088 1 30.08 ? N PRO A 106 1 -ATOM 795 C CA . PRO A 1 106 . 0.352 83.921 35.084 1 30.73 ? CA PRO A 106 1 -ATOM 796 C C . PRO A 1 106 . -0.389 83.037 34.076 1 32.25 ? C PRO A 106 1 -ATOM 797 O O . PRO A 1 106 . -1.511 82.591 34.312 1 32.38 ? O PRO A 106 1 -ATOM 798 C CB . PRO A 1 106 . 1.4 83.14 35.902 1 30.25 ? CB PRO A 106 1 -ATOM 799 C CG . PRO A 1 106 . 0.702 82.765 37.223 1 31.36 ? CG PRO A 106 1 -ATOM 800 C CD . PRO A 1 106 . -0.475 83.744 37.389 1 29.44 ? CD PRO A 106 1 -ATOM 801 N N . LYS A 1 107 . 0.301 82.769 32.946 1 30.72 ? N LYS A 107 1 -ATOM 802 C CA . LYS A 1 107 . -0.264 81.958 31.873 1 27.34 ? CA LYS A 107 1 -ATOM 803 C C . LYS A 1 107 . -0.089 80.476 32.151 1 26.12 ? C LYS A 107 1 -ATOM 804 O O . LYS A 1 107 . -1.005 79.674 32.119 1 25.2 ? O LYS A 107 1 -ATOM 805 C CB . LYS A 1 107 . 0.287 82.423 30.53 1 28.41 ? CB LYS A 107 1 -ATOM 806 N N . SER A 1 108 . 1.144 80.134 32.43 1 25.79 ? N SER A 108 1 -ATOM 807 C CA . SER A 1 108 . 1.465 78.762 32.78 1 29.14 ? CA SER A 108 1 -ATOM 808 C C . SER A 1 108 . 2.701 78.929 33.61 1 30.57 ? C SER A 108 1 -ATOM 809 O O . SER A 1 108 . 3.641 79.517 33.095 1 30.49 ? O SER A 108 1 -ATOM 810 C CB . SER A 1 108 . 1.841 77.916 31.571 1 28.68 ? CB SER A 108 1 -ATOM 811 O OG . SER A 1 108 . 0.699 77.249 31.06 1 37.53 ? OG SER A 108 1 -ATOM 812 N N . THR A 1 109 . 2.696 78.444 34.861 1 29.7 ? N THR A 109 1 -ATOM 813 C CA . THR A 1 109 . 3.864 78.57 35.721 1 25.6 ? CA THR A 109 1 -ATOM 814 C C . THR A 1 109 . 3.887 77.365 36.631 1 25.96 ? C THR A 109 1 -ATOM 815 O O . THR A 1 109 . 2.918 76.606 36.626 1 28.79 ? O THR A 109 1 -ATOM 816 C CB . THR A 1 109 . 3.839 79.919 36.435 1 22.51 ? CB THR A 109 1 -ATOM 817 O OG1 . THR A 1 109 . 5.133 80.163 36.97 1 30.15 ? OG1 THR A 109 1 -ATOM 818 C CG2 . THR A 1 109 . 2.746 80.107 37.496 1 20.47 ? CG2 THR A 109 1 -ATOM 819 N N . THR A 1 110 . 4.999 77.202 37.372 1 20.3 ? N THR A 110 1 -ATOM 820 C CA . THR A 1 110 . 5.191 76.072 38.277 1 16.91 ? CA THR A 110 1 -ATOM 821 C C . THR A 1 110 . 4.161 76.062 39.382 1 16.26 ? C THR A 110 1 -ATOM 822 O O . THR A 1 110 . 3.648 77.099 39.804 1 16.76 ? O THR A 110 1 -ATOM 823 C CB . THR A 1 110 . 6.597 76.167 38.862 1 17.56 ? CB THR A 110 1 -ATOM 824 O OG1 . THR A 1 110 . 7.482 76.435 37.782 1 19.32 ? OG1 THR A 110 1 -ATOM 825 C CG2 . THR A 1 110 . 7.093 74.903 39.562 1 17.74 ? CG2 THR A 110 1 -ATOM 826 N N . VAL A 1 111 . 3.905 74.847 39.85 1 12.04 ? N VAL A 111 1 -ATOM 827 C CA . VAL A 1 111 . 2.933 74.65 40.884 1 12.71 ? CA VAL A 111 1 -ATOM 828 C C . VAL A 1 111 . 3.619 73.91 42.015 1 13.45 ? C VAL A 111 1 -ATOM 829 O O . VAL A 1 111 . 4.44 73.036 41.749 1 8.98 ? O VAL A 111 1 -ATOM 830 C CB . VAL A 1 111 . 1.822 73.79 40.267 1 10.48 ? CB VAL A 111 1 -ATOM 831 C CG1 . VAL A 1 111 . 0.65 73.518 41.209 1 17.35 ? CG1 VAL A 111 1 -ATOM 832 C CG2 . VAL A 1 111 . 1.294 74.387 38.961 1 10.89 ? CG2 VAL A 111 1 -ATOM 833 N N . MET A 1 112 . 3.268 74.27 43.272 1 13.92 ? N MET A 112 1 -ATOM 834 C CA . MET A 1 112 . 3.81 73.625 44.465 1 8.38 ? CA MET A 112 1 -ATOM 835 C C . MET A 1 112 . 2.588 73.253 45.273 1 10.42 ? C MET A 112 1 -ATOM 836 O O . MET A 1 112 . 1.78 74.125 45.58 1 12.73 ? O MET A 112 1 -ATOM 837 C CB . MET A 1 112 . 4.73 74.574 45.226 1 2.88 ? CB MET A 112 1 -ATOM 838 C CG . MET A 1 112 . 5.907 75.036 44.352 1 2 ? CG MET A 112 1 -ATOM 839 S SD . MET A 1 112 . 7.23 75.786 45.353 1 8.8 ? SD MET A 112 1 -ATOM 840 C CE . MET A 1 112 . 7.892 74.272 46.113 1 5.32 ? CE MET A 112 1 -ATOM 841 N N . VAL A 1 113 . 2.431 71.954 45.563 1 9.72 ? N VAL A 113 1 -ATOM 842 C CA . VAL A 1 113 . 1.284 71.466 46.333 1 9.94 ? CA VAL A 113 1 -ATOM 843 C C . VAL A 1 113 . 1.84 71.047 47.683 1 12.79 ? C VAL A 113 1 -ATOM 844 O O . VAL A 1 113 . 2.714 70.192 47.747 1 17.85 ? O VAL A 113 1 -ATOM 845 C CB . VAL A 1 113 . 0.7 70.192 45.662 1 8.48 ? CB VAL A 113 1 -ATOM 846 C CG1 . VAL A 1 113 . -0.476 69.582 46.422 1 5.76 ? CG1 VAL A 113 1 -ATOM 847 C CG2 . VAL A 1 113 . 0.339 70.337 44.185 1 5.88 ? CG2 VAL A 113 1 -ATOM 848 N N . TRP A 1 114 . 1.31 71.613 48.756 1 13.62 ? N TRP A 114 1 -ATOM 849 C CA . TRP A 1 114 . 1.767 71.319 50.113 1 13.84 ? CA TRP A 114 1 -ATOM 850 C C . TRP A 1 114 . 0.871 70.289 50.789 1 13.2 ? C TRP A 114 1 -ATOM 851 O O . TRP A 1 114 . -0.34 70.506 50.888 1 16.95 ? O TRP A 114 1 -ATOM 852 C CB . TRP A 1 114 . 1.693 72.653 50.908 1 15.62 ? CB TRP A 114 1 -ATOM 853 C CG . TRP A 1 114 . 2.009 72.493 52.386 1 16.04 ? CG TRP A 114 1 -ATOM 854 C CD1 . TRP A 1 114 . 1.093 72.608 53.465 1 16.62 ? CD1 TRP A 114 1 -ATOM 855 C CD2 . TRP A 1 114 . 3.257 72.186 52.94 1 12.64 ? CD2 TRP A 114 1 -ATOM 856 N NE1 . TRP A 1 114 . 1.724 72.376 54.643 1 14.39 ? NE1 TRP A 114 1 -ATOM 857 C CE2 . TRP A 1 114 . 3.044 72.106 54.395 1 10.99 ? CE2 TRP A 114 1 -ATOM 858 C CE3 . TRP A 1 114 . 4.52 71.943 52.408 1 12.85 ? CE3 TRP A 114 1 -ATOM 859 C CZ2 . TRP A 1 114 . 4.13 71.81 55.211 1 10.13 ? CZ2 TRP A 114 1 -ATOM 860 C CZ3 . TRP A 1 114 . 5.589 71.64 53.26 1 9.96 ? CZ3 TRP A 114 1 -ATOM 861 C CH2 . TRP A 1 114 . 5.392 71.573 54.643 1 9.36 ? CH2 TRP A 114 1 -ATOM 862 N N . ILE A 1 115 . 1.487 69.2 51.262 1 12.94 ? N ILE A 115 1 -ATOM 863 C CA . ILE A 1 115 . 0.812 68.126 51.991 1 11.91 ? CA ILE A 115 1 -ATOM 864 C C . ILE A 1 115 . 1.353 68.264 53.426 1 17.84 ? C ILE A 115 1 -ATOM 865 O O . ILE A 1 115 . 2.548 68.034 53.654 1 21.48 ? O ILE A 115 1 -ATOM 866 C CB . ILE A 1 115 . 1.185 66.764 51.38 1 8.5 ? CB ILE A 115 1 -ATOM 867 C CG1 . ILE A 1 115 . 1.022 66.806 49.833 1 6.95 ? CG1 ILE A 115 1 -ATOM 868 C CG2 . ILE A 1 115 . 0.438 65.597 52.059 1 2.5 ? CG2 ILE A 115 1 -ATOM 869 C CD1 . ILE A 1 115 . 1.134 65.447 49.121 1 5.12 ? CD1 ILE A 115 1 -ATOM 870 N N . TYR A 1 116 . 0.453 68.652 54.372 1 16.62 ? N TYR A 116 1 -ATOM 871 C CA . TYR A 1 116 . 0.81 68.865 55.784 1 11.94 ? CA TYR A 116 1 -ATOM 872 C C . TYR A 1 116 . 1.152 67.614 56.581 1 14.71 ? C TYR A 116 1 -ATOM 873 O O . TYR A 1 116 . 0.761 66.489 56.293 1 16.59 ? O TYR A 116 1 -ATOM 874 C CB . TYR A 1 116 . -0.278 69.648 56.545 1 9.8 ? CB TYR A 116 1 -ATOM 875 C CG . TYR A 1 116 . -1.647 69.008 56.579 1 8.1 ? CG TYR A 116 1 -ATOM 876 C CD1 . TYR A 1 116 . -1.881 67.74 57.158 1 9.71 ? CD1 TYR A 116 1 -ATOM 877 C CD2 . TYR A 1 116 . -2.725 69.704 56.022 1 7.13 ? CD2 TYR A 116 1 -ATOM 878 C CE1 . TYR A 1 116 . -3.169 67.182 57.164 1 6.62 ? CE1 TYR A 116 1 -ATOM 879 C CE2 . TYR A 1 116 . -4.006 69.153 56.019 1 3.94 ? CE2 TYR A 116 1 -ATOM 880 C CZ . TYR A 1 116 . -4.225 67.898 56.586 1 4.37 ? CZ TYR A 116 1 -ATOM 881 O OH . TYR A 1 116 . -5.5 67.391 56.594 1 10.79 ? OH TYR A 116 1 -ATOM 882 N N . GLY A 1 117 . 1.886 67.862 57.656 1 16.91 ? N GLY A 117 1 -ATOM 883 C CA . GLY A 1 117 . 2.315 66.812 58.55 1 14.98 ? CA GLY A 117 1 -ATOM 884 C C . GLY A 1 117 . 1.378 66.772 59.725 1 16.3 ? C GLY A 117 1 -ATOM 885 O O . GLY A 1 117 . 0.361 67.469 59.779 1 13.8 ? O GLY A 117 1 -ATOM 886 N N . GLY A 1 118 . 1.802 65.935 60.691 1 17.02 ? N GLY A 118 1 -ATOM 887 C CA . GLY A 1 118 . 1.026 65.735 61.919 1 11.44 ? CA GLY A 118 1 -ATOM 888 C C . GLY A 1 118 . 0.969 64.274 62.377 1 8.72 ? C GLY A 118 1 -ATOM 889 O O . GLY A 1 118 . -0.008 63.845 62.978 1 5.62 ? O GLY A 118 1 -ATOM 890 N N . GLY A 1 119 . 2.02 63.492 62.055 1 2 ? N GLY A 119 1 -ATOM 891 C CA . GLY A 1 119 . 1.985 62.085 62.487 1 5.94 ? CA GLY A 119 1 -ATOM 892 C C . GLY A 1 119 . 0.749 61.27 62.079 1 8.79 ? C GLY A 119 1 -ATOM 893 O O . GLY A 1 119 . 0.359 60.285 62.688 1 13.5 ? O GLY A 119 1 -ATOM 894 N N . PHE A 1 120 . 0.105 61.718 61.013 1 11.22 ? N PHE A 120 1 -ATOM 895 C CA . PHE A 1 120 . -1.093 61.067 60.49 1 12.14 ? CA PHE A 120 1 -ATOM 896 C C . PHE A 1 120 . -2.344 61.235 61.335 1 15.23 ? C PHE A 120 1 -ATOM 897 O O . PHE A 1 120 . -3.405 60.852 60.864 1 15.16 ? O PHE A 120 1 -ATOM 898 C CB . PHE A 1 120 . -0.898 59.592 60.086 1 11.92 ? CB PHE A 120 1 -ATOM 899 C CG . PHE A 1 120 . -0.021 59.437 58.865 1 11.41 ? CG PHE A 120 1 -ATOM 900 C CD1 . PHE A 1 120 . -0.517 59.828 57.608 1 11.7 ? CD1 PHE A 120 1 -ATOM 901 C CD2 . PHE A 1 120 . 1.272 58.896 58.957 1 12.73 ? CD2 PHE A 120 1 -ATOM 902 C CE1 . PHE A 1 120 . 0.257 59.674 56.456 1 11.52 ? CE1 PHE A 120 1 -ATOM 903 C CE2 . PHE A 1 120 . 2.049 58.734 57.798 1 14.44 ? CE2 PHE A 120 1 -ATOM 904 C CZ . PHE A 1 120 . 1.542 59.125 56.554 1 14.34 ? CZ PHE A 120 1 -ATOM 905 N N . TYR A 1 121 . -2.252 61.817 62.554 1 19.62 ? N TYR A 121 1 -ATOM 906 C CA . TYR A 1 121 . -3.43 62.023 63.438 1 13.61 ? CA TYR A 121 1 -ATOM 907 C C . TYR A 1 121 . -3.834 63.487 63.533 1 12.9 ? C TYR A 121 1 -ATOM 908 O O . TYR A 1 121 . -4.836 63.806 64.17 1 15.56 ? O TYR A 121 1 -ATOM 909 C CB . TYR A 1 121 . -3.222 61.517 64.891 1 11.91 ? CB TYR A 121 1 -ATOM 910 C CG . TYR A 1 121 . -2.162 62.299 65.637 1 11.99 ? CG TYR A 121 1 -ATOM 911 C CD1 . TYR A 1 121 . -0.821 61.913 65.545 1 12.64 ? CD1 TYR A 121 1 -ATOM 912 C CD2 . TYR A 1 121 . -2.498 63.446 66.378 1 8.96 ? CD2 TYR A 121 1 -ATOM 913 C CE1 . TYR A 1 121 . 0.169 62.668 66.173 1 16.39 ? CE1 TYR A 121 1 -ATOM 914 C CE2 . TYR A 1 121 . -1.511 64.207 67.01 1 10.84 ? CE2 TYR A 121 1 -ATOM 915 C CZ . TYR A 1 121 . -0.169 63.811 66.912 1 16.22 ? CZ TYR A 121 1 -ATOM 916 O OH . TYR A 1 121 . 0.852 64.505 67.542 1 20.04 ? OH TYR A 121 1 -ATOM 917 N N . SER A 1 122 . -3.043 64.388 62.951 1 12.66 ? N SER A 122 1 -ATOM 918 C CA . SER A 1 122 . -3.433 65.783 63.028 1 13.78 ? CA SER A 122 1 -ATOM 919 C C . SER A 1 122 . -2.996 66.469 61.746 1 15.52 ? C SER A 122 1 -ATOM 920 O O . SER A 1 122 . -2.343 65.84 60.917 1 19 ? O SER A 122 1 -ATOM 921 C CB . SER A 1 122 . -2.833 66.39 64.309 1 15.76 ? CB SER A 122 1 -ATOM 922 O OG . SER A 1 122 . -1.385 66.399 64.278 1 15.94 ? OG SER A 122 1 -ATOM 923 N N . GLY A 1 123 . -3.381 67.749 61.621 1 14.94 ? N GLY A 123 1 -ATOM 924 C CA . GLY A 1 123 . -2.982 68.541 60.481 1 12.91 ? CA GLY A 123 1 -ATOM 925 C C . GLY A 1 123 . -4.081 69.464 59.985 1 14.38 ? C GLY A 123 1 -ATOM 926 O O . GLY A 1 123 . -5.277 69.204 60.076 1 17.47 ? O GLY A 123 1 -ATOM 927 N N . SER A 1 124 . -3.667 70.609 59.463 1 12.13 ? N SER A 124 1 -ATOM 928 C CA . SER A 1 124 . -4.608 71.546 58.902 1 15.36 ? CA SER A 124 1 -ATOM 929 C C . SER A 1 124 . -3.839 72.263 57.826 1 19.62 ? C SER A 124 1 -ATOM 930 O O . SER A 1 124 . -2.623 72.36 57.868 1 21.18 ? O SER A 124 1 -ATOM 931 C CB . SER A 1 124 . -5.124 72.554 59.919 1 16.61 ? CB SER A 124 1 -ATOM 932 O OG . SER A 1 124 . -5.954 71.92 60.876 1 22.82 ? OG SER A 124 1 -ATOM 933 N N . SER A 1 125 . -4.571 72.752 56.839 1 20.53 ? N SER A 125 1 -ATOM 934 C CA . SER A 1 125 . -3.953 73.469 55.739 1 19.71 ? CA SER A 125 1 -ATOM 935 C C . SER A 1 125 . -4.045 74.981 55.94 1 19.53 ? C SER A 125 1 -ATOM 936 O O . SER A 1 125 . -3.391 75.776 55.296 1 23.23 ? O SER A 125 1 -ATOM 937 C CB . SER A 1 125 . -4.691 73.059 54.458 1 16 ? CB SER A 125 1 -ATOM 938 O OG . SER A 1 125 . -6.096 73.286 54.626 1 20.88 ? OG SER A 125 1 -ATOM 939 N N . THR A 1 126 . -4.918 75.336 56.865 1 17.15 ? N THR A 126 1 -ATOM 940 C CA . THR A 1 126 . -5.267 76.683 57.258 1 16.37 ? CA THR A 126 1 -ATOM 941 C C . THR A 1 126 . -4.343 77.317 58.289 1 15.76 ? C THR A 126 1 -ATOM 942 O O . THR A 1 126 . -4.533 78.441 58.74 1 19.46 ? O THR A 126 1 -ATOM 943 C CB . THR A 1 126 . -6.684 76.536 57.859 1 18.02 ? CB THR A 126 1 -ATOM 944 O OG1 . THR A 1 126 . -6.568 75.606 58.952 1 21.85 ? OG1 THR A 126 1 -ATOM 945 C CG2 . THR A 1 126 . -7.685 75.878 56.882 1 14.37 ? CG2 THR A 126 1 -ATOM 946 N N . LEU A 1 127 . -3.337 76.562 58.719 1 13.5 ? N LEU A 127 1 -ATOM 947 C CA . LEU A 1 127 . -2.451 77.133 59.722 1 11.7 ? CA LEU A 127 1 -ATOM 948 C C . LEU A 1 127 . -1.705 78.306 59.147 1 12.34 ? C LEU A 127 1 -ATOM 949 O O . LEU A 1 127 . -1.409 78.366 57.975 1 17.17 ? O LEU A 127 1 -ATOM 950 C CB . LEU A 1 127 . -1.422 76.104 60.212 1 9.96 ? CB LEU A 127 1 -ATOM 951 C CG . LEU A 1 127 . -2.002 74.756 60.677 1 7.51 ? CG LEU A 127 1 -ATOM 952 C CD1 . LEU A 1 127 . -0.87 73.911 61.282 1 9.8 ? CD1 LEU A 127 1 -ATOM 953 C CD2 . LEU A 1 127 . -3.143 74.925 61.696 1 6.16 ? CD2 LEU A 127 1 -ATOM 954 N N . ASP A 1 128 . -1.321 79.238 59.977 1 13.92 ? N ASP A 128 1 -ATOM 955 C CA . ASP A 1 128 . -0.609 80.406 59.501 1 16.51 ? CA ASP A 128 1 -ATOM 956 C C . ASP A 1 128 . 0.772 80.081 59.013 1 15.68 ? C ASP A 128 1 -ATOM 957 O O . ASP A 1 128 . 1.313 80.837 58.228 1 18.82 ? O ASP A 128 1 -ATOM 958 C CB . ASP A 1 128 . -0.487 81.527 60.544 1 23.3 ? CB ASP A 128 1 -ATOM 959 C CG . ASP A 1 128 . -1.804 82.083 61.084 1 28.62 ? CG ASP A 128 1 -ATOM 960 O OD1 . ASP A 1 128 . -2.87 81.733 60.572 1 36.47 ? OD1 ASP A 128 1 -ATOM 961 O OD2 . ASP A 1 128 . -1.751 82.873 62.029 1 35.21 ? OD2 ASP A 128 1 -ATOM 962 N N . VAL A 1 129 . 1.374 78.973 59.458 1 16.76 ? N VAL A 129 1 -ATOM 963 C CA . VAL A 1 129 . 2.721 78.716 58.919 1 17.51 ? CA VAL A 129 1 -ATOM 964 C C . VAL A 1 129 . 2.614 78.002 57.572 1 20.95 ? C VAL A 129 1 -ATOM 965 O O . VAL A 1 129 . 3.617 77.561 57.037 1 24.78 ? O VAL A 129 1 -ATOM 966 C CB . VAL A 1 129 . 3.617 77.937 59.912 1 9.97 ? CB VAL A 129 1 -ATOM 967 C CG1 . VAL A 1 129 . 4.157 78.846 61.02 1 15.67 ? CG1 VAL A 129 1 -ATOM 968 C CG2 . VAL A 1 129 . 2.894 76.746 60.546 1 7.52 ? CG2 VAL A 129 1 -ATOM 969 N N . TYR A 1 130 . 1.381 77.844 57.063 1 17.72 ? N TYR A 130 1 -ATOM 970 C CA . TYR A 1 130 . 1.176 77.188 55.783 1 15.58 ? CA TYR A 130 1 -ATOM 971 C C . TYR A 1 130 . 0.429 78.157 54.867 1 22.21 ? C TYR A 130 1 -ATOM 972 O O . TYR A 1 130 . -0.228 77.797 53.894 1 24.39 ? O TYR A 130 1 -ATOM 973 C CB . TYR A 1 130 . 0.299 75.934 55.952 1 11.62 ? CB TYR A 130 1 -ATOM 974 C CG . TYR A 1 130 . 0.825 74.823 56.857 1 9.44 ? CG TYR A 130 1 -ATOM 975 C CD1 . TYR A 1 130 . 2.18 74.673 57.197 1 5.49 ? CD1 TYR A 130 1 -ATOM 976 C CD2 . TYR A 1 130 . -0.092 73.884 57.363 1 8.88 ? CD2 TYR A 130 1 -ATOM 977 C CE1 . TYR A 1 130 . 2.591 73.611 58.022 1 6.11 ? CE1 TYR A 130 1 -ATOM 978 C CE2 . TYR A 1 130 . 0.32 72.812 58.171 1 5.33 ? CE2 TYR A 130 1 -ATOM 979 C CZ . TYR A 1 130 . 1.671 72.666 58.5 1 7.17 ? CZ TYR A 130 1 -ATOM 980 O OH . TYR A 1 130 . 2.143 71.595 59.244 1 4.45 ? OH TYR A 130 1 -ATOM 981 N N . ASN A 1 131 . 0.493 79.452 55.222 1 24.81 ? N ASN A 131 1 -ATOM 982 C CA . ASN A 1 131 . -0.197 80.445 54.4 1 23.92 ? CA ASN A 131 1 -ATOM 983 C C . ASN A 1 131 . 0.734 80.708 53.237 1 23.49 ? C ASN A 131 1 -ATOM 984 O O . ASN A 1 131 . 1.803 81.283 53.393 1 25.76 ? O ASN A 131 1 -ATOM 985 C CB . ASN A 1 131 . -0.482 81.708 55.217 1 24.47 ? CB ASN A 131 1 -ATOM 986 C CG . ASN A 1 131 . -1.187 82.722 54.362 1 22.55 ? CG ASN A 131 1 -ATOM 987 O OD1 . ASN A 1 131 . -0.626 83.207 53.402 1 22.56 ? OD1 ASN A 131 1 -ATOM 988 N ND2 . ASN A 1 131 . -2.427 83.044 54.691 1 27.84 ? ND2 ASN A 131 1 -ATOM 989 N N . GLY A 1 132 . 0.325 80.257 52.049 1 25.22 ? N GLY A 132 1 -ATOM 990 C CA . GLY A 1 132 . 1.201 80.415 50.887 1 24.01 ? CA GLY A 132 1 -ATOM 991 C C . GLY A 1 132 . 1.292 81.78 50.223 1 24.53 ? C GLY A 132 1 -ATOM 992 O O . GLY A 1 132 . 1.938 81.88 49.181 1 22.81 ? O GLY A 132 1 -ATOM 993 N N . LYS A 1 133 . 0.691 82.84 50.796 1 23.16 ? N LYS A 133 1 -ATOM 994 C CA . LYS A 1 133 . 0.787 84.142 50.126 1 20.32 ? CA LYS A 133 1 -ATOM 995 C C . LYS A 1 133 . 2.206 84.627 49.859 1 20.65 ? C LYS A 133 1 -ATOM 996 O O . LYS A 1 133 . 2.522 85.208 48.831 1 21.83 ? O LYS A 133 1 -ATOM 997 C CB . LYS A 1 133 . 0.023 85.259 50.877 1 16.95 ? CB LYS A 133 1 -ATOM 998 C CG . LYS A 1 133 . 0.713 85.863 52.142 1 22.4 ? CG LYS A 133 1 -ATOM 999 C CD . LYS A 1 133 . -0.033 87.022 52.852 1 20.59 ? CD LYS A 133 1 -ATOM 1000 C CE . LYS A 1 133 . -1.463 86.654 53.243 1 30.03 ? CE LYS A 133 1 -ATOM 1001 N NZ . LYS A 1 133 . -2.093 87.733 53.974 1 36.8 ? NZ LYS A 133 1 -ATOM 1002 N N . TYR A 1 134 . 3.082 84.366 50.816 1 21.5 ? N TYR A 134 1 -ATOM 1003 C CA . TYR A 1 134 . 4.442 84.873 50.659 1 22.9 ? CA TYR A 134 1 -ATOM 1004 C C . TYR A 1 134 . 5.211 84.124 49.615 1 22.76 ? C TYR A 134 1 -ATOM 1005 O O . TYR A 1 134 . 5.92 84.695 48.808 1 22.22 ? O TYR A 134 1 -ATOM 1006 C CB . TYR A 1 134 . 5.214 84.878 52.002 1 25.06 ? CB TYR A 134 1 -ATOM 1007 C CG . TYR A 1 134 . 4.405 85.495 53.122 1 25.21 ? CG TYR A 134 1 -ATOM 1008 C CD1 . TYR A 1 134 . 4.387 86.883 53.331 1 26.12 ? CD1 TYR A 134 1 -ATOM 1009 C CD2 . TYR A 1 134 . 3.62 84.668 53.938 1 27.87 ? CD2 TYR A 134 1 -ATOM 1010 C CE1 . TYR A 1 134 . 3.581 87.44 54.333 1 29.44 ? CE1 TYR A 134 1 -ATOM 1011 C CE2 . TYR A 1 134 . 2.807 85.215 54.935 1 30.74 ? CE2 TYR A 134 1 -ATOM 1012 C CZ . TYR A 1 134 . 2.783 86.605 55.135 1 32.62 ? CZ TYR A 134 1 -ATOM 1013 O OH . TYR A 1 134 . 1.969 87.16 56.108 1 36.7 ? OH TYR A 134 1 -ATOM 1014 N N . LEU A 1 135 . 5.041 82.804 49.612 1 25.17 ? N LEU A 135 1 -ATOM 1015 C CA . LEU A 1 135 . 5.786 82.023 48.62 1 22.13 ? CA LEU A 135 1 -ATOM 1016 C C . LEU A 1 135 . 5.305 82.336 47.2 1 23.51 ? C LEU A 135 1 -ATOM 1017 O O . LEU A 1 135 . 6.081 82.613 46.287 1 23.54 ? O LEU A 135 1 -ATOM 1018 C CB . LEU A 1 135 . 5.709 80.52 48.958 1 13.03 ? CB LEU A 135 1 -ATOM 1019 C CG . LEU A 1 135 . 6.761 79.635 48.278 1 9.29 ? CG LEU A 135 1 -ATOM 1020 C CD1 . LEU A 1 135 . 8.181 80.179 48.469 1 6.96 ? CD1 LEU A 135 1 -ATOM 1021 C CD2 . LEU A 1 135 . 6.71 78.203 48.836 1 2 ? CD2 LEU A 135 1 -ATOM 1022 N N . ALA A 1 136 . 3.969 82.313 47.054 1 22.76 ? N ALA A 136 1 -ATOM 1023 C CA . ALA A 1 136 . 3.352 82.583 45.765 1 22.99 ? CA ALA A 136 1 -ATOM 1024 C C . ALA A 1 136 . 3.797 83.909 45.19 1 26.43 ? C ALA A 136 1 -ATOM 1025 O O . ALA A 1 136 . 4.072 84.061 44.008 1 31.51 ? O ALA A 136 1 -ATOM 1026 C CB . ALA A 1 136 . 1.822 82.62 45.886 1 24.06 ? CB ALA A 136 1 -ATOM 1027 N N . TYR A 1 137 . 3.864 84.891 46.075 1 25.08 ? N TYR A 137 1 -ATOM 1028 C CA . TYR A 1 137 . 4.259 86.228 45.667 1 21.07 ? CA TYR A 137 1 -ATOM 1029 C C . TYR A 1 137 . 5.752 86.352 45.39 1 19.78 ? C TYR A 137 1 -ATOM 1030 O O . TYR A 1 137 . 6.186 86.678 44.302 1 22.62 ? O TYR A 137 1 -ATOM 1031 C CB . TYR A 1 137 . 3.776 87.176 46.78 1 21.86 ? CB TYR A 137 1 -ATOM 1032 C CG . TYR A 1 137 . 4.207 88.596 46.587 1 25.22 ? CG TYR A 137 1 -ATOM 1033 C CD1 . TYR A 1 137 . 5.469 89.006 47.056 1 26.11 ? CD1 TYR A 137 1 -ATOM 1034 C CD2 . TYR A 1 137 . 3.39 89.502 45.897 1 27.33 ? CD2 TYR A 137 1 -ATOM 1035 C CE1 . TYR A 1 137 . 5.934 90.303 46.813 1 26.02 ? CE1 TYR A 137 1 -ATOM 1036 C CE2 . TYR A 1 137 . 3.861 90.803 45.65 1 29.82 ? CE2 TYR A 137 1 -ATOM 1037 C CZ . TYR A 1 137 . 5.131 91.205 46.099 1 27.3 ? CZ TYR A 137 1 -ATOM 1038 O OH . TYR A 1 137 . 5.59 92.473 45.816 1 30.83 ? OH TYR A 137 1 -ATOM 1039 N N . THR A 1 138 . 6.561 86.075 46.389 1 20.97 ? N THR A 138 1 -ATOM 1040 C CA . THR A 1 138 . 7.994 86.219 46.226 1 20.55 ? CA THR A 138 1 -ATOM 1041 C C . THR A 1 138 . 8.594 85.388 45.105 1 19.98 ? C THR A 138 1 -ATOM 1042 O O . THR A 1 138 . 9.536 85.824 44.465 1 22.83 ? O THR A 138 1 -ATOM 1043 C CB . THR A 1 138 . 8.658 85.913 47.603 1 23.61 ? CB THR A 138 1 -ATOM 1044 O OG1 . THR A 1 138 . 8.013 86.675 48.628 1 26.1 ? OG1 THR A 138 1 -ATOM 1045 C CG2 . THR A 1 138 . 10.153 86.255 47.751 1 24.64 ? CG2 THR A 138 1 -ATOM 1046 N N . GLU A 1 139 . 8.076 84.177 44.875 1 20.94 ? N GLU A 139 1 -ATOM 1047 C CA . GLU A 1 139 . 8.66 83.342 43.822 1 20.56 ? CA GLU A 139 1 -ATOM 1048 C C . GLU A 1 139 . 7.784 83.199 42.58 1 24.47 ? C GLU A 139 1 -ATOM 1049 O O . GLU A 1 139 . 8.175 82.603 41.583 1 25.05 ? O GLU A 139 1 -ATOM 1050 C CB . GLU A 1 139 . 9.037 81.968 44.39 1 14.12 ? CB GLU A 139 1 -ATOM 1051 C CG . GLU A 1 139 . 10.209 82.052 45.386 1 17.03 ? CG GLU A 139 1 -ATOM 1052 C CD . GLU A 1 139 . 11.524 82.428 44.705 1 24.78 ? CD GLU A 139 1 -ATOM 1053 O OE1 . GLU A 1 139 . 11.72 82.081 43.54 1 26.19 ? OE1 GLU A 139 1 -ATOM 1054 O OE2 . GLU A 1 139 . 12.362 83.065 45.341 1 27.39 ? OE2 GLU A 139 1 -ATOM 1055 N N . GLU A 1 140 . 6.575 83.751 42.655 1 25.5 ? N GLU A 140 1 -ATOM 1056 C CA . GLU A 1 140 . 5.678 83.684 41.516 1 25.77 ? CA GLU A 140 1 -ATOM 1057 C C . GLU A 1 140 . 5.417 82.271 41.083 1 23.21 ? C GLU A 140 1 -ATOM 1058 O O . GLU A 1 140 . 5.79 81.845 40.001 1 24.2 ? O GLU A 140 1 -ATOM 1059 C CB . GLU A 1 140 . 6.182 84.55 40.358 1 31.13 ? CB GLU A 140 1 -ATOM 1060 C CG . GLU A 1 140 . 6.341 86.013 40.826 1 42.92 ? CG GLU A 140 1 -ATOM 1061 C CD . GLU A 1 140 . 7.014 86.896 39.795 1 46.01 ? CD GLU A 140 1 -ATOM 1062 O OE1 . GLU A 1 140 . 8.247 86.987 39.816 1 48.31 ? OE1 GLU A 140 1 -ATOM 1063 O OE2 . GLU A 1 140 . 6.3 87.494 38.988 1 48.93 ? OE2 GLU A 140 1 -ATOM 1064 N N . VAL A 1 141 . 4.758 81.551 41.978 1 19.1 ? N VAL A 141 1 -ATOM 1065 C CA . VAL A 1 141 . 4.408 80.193 41.681 1 16.2 ? CA VAL A 141 1 -ATOM 1066 C C . VAL A 1 141 . 2.971 80.098 42.117 1 17.91 ? C VAL A 141 1 -ATOM 1067 O O . VAL A 1 141 . 2.477 80.967 42.828 1 19.3 ? O VAL A 141 1 -ATOM 1068 C CB . VAL A 1 141 . 5.31 79.223 42.464 1 13.59 ? CB VAL A 141 1 -ATOM 1069 C CG1 . VAL A 1 141 . 6.789 79.545 42.267 1 14.93 ? CG1 VAL A 141 1 -ATOM 1070 C CG2 . VAL A 1 141 . 5.016 79.148 43.974 1 15.84 ? CG2 VAL A 141 1 -ATOM 1071 N N . VAL A 1 142 . 2.297 79.049 41.667 1 19.99 ? N VAL A 142 1 -ATOM 1072 C CA . VAL A 1 142 . 0.929 78.836 42.099 1 21.84 ? CA VAL A 142 1 -ATOM 1073 C C . VAL A 1 142 . 1.158 77.865 43.278 1 25.41 ? C VAL A 142 1 -ATOM 1074 O O . VAL A 1 142 . 1.933 76.905 43.156 1 28.57 ? O VAL A 142 1 -ATOM 1075 C CB . VAL A 1 142 . 0.102 78.239 40.935 1 16.98 ? CB VAL A 142 1 -ATOM 1076 C CG1 . VAL A 1 142 . -1.294 77.78 41.354 1 13.15 ? CG1 VAL A 142 1 -ATOM 1077 C CG2 . VAL A 1 142 . -0.015 79.247 39.779 1 14.31 ? CG2 VAL A 142 1 -ATOM 1078 N N . LEU A 1 143 . 0.506 78.116 44.421 1 20.39 ? N LEU A 143 1 -ATOM 1079 C CA . LEU A 1 143 . 0.739 77.203 45.521 1 16.77 ? CA LEU A 143 1 -ATOM 1080 C C . LEU A 1 143 . -0.568 76.675 45.998 1 14.76 ? C LEU A 143 1 -ATOM 1081 O O . LEU A 1 143 . -1.495 77.47 46.13 1 16.15 ? O LEU A 143 1 -ATOM 1082 C CB . LEU A 1 143 . 1.421 77.98 46.647 1 18.86 ? CB LEU A 143 1 -ATOM 1083 C CG . LEU A 1 143 . 2.033 77.054 47.721 1 21.71 ? CG LEU A 143 1 -ATOM 1084 C CD1 . LEU A 1 143 . 3.315 77.673 48.226 1 23.56 ? CD1 LEU A 143 1 -ATOM 1085 C CD2 . LEU A 1 143 . 1.098 76.749 48.911 1 25.64 ? CD2 LEU A 143 1 -ATOM 1086 N N . VAL A 1 144 . -0.655 75.366 46.252 1 10.75 ? N VAL A 144 1 -ATOM 1087 C CA . VAL A 1 144 . -1.919 74.86 46.755 1 14.28 ? CA VAL A 144 1 -ATOM 1088 C C . VAL A 1 144 . -1.633 74.09 48.043 1 17.51 ? C VAL A 144 1 -ATOM 1089 O O . VAL A 1 144 . -0.498 73.691 48.307 1 17.97 ? O VAL A 144 1 -ATOM 1090 C CB . VAL A 1 144 . -2.686 74.015 45.688 1 13.8 ? CB VAL A 144 1 -ATOM 1091 C CG1 . VAL A 1 144 . -2.732 74.691 44.318 1 12.2 ? CG1 VAL A 144 1 -ATOM 1092 C CG2 . VAL A 1 144 . -2.147 72.612 45.491 1 12.87 ? CG2 VAL A 144 1 -ATOM 1093 N N . SER A 1 145 . -2.688 73.863 48.838 1 18.01 ? N SER A 145 1 -ATOM 1094 C CA . SER A 1 145 . -2.565 73.094 50.077 1 16.75 ? CA SER A 145 1 -ATOM 1095 C C . SER A 1 145 . -3.721 72.102 50.093 1 18.35 ? C SER A 145 1 -ATOM 1096 O O . SER A 1 145 . -4.841 72.534 49.83 1 21.33 ? O SER A 145 1 -ATOM 1097 C CB . SER A 1 145 . -2.752 73.997 51.294 1 14.17 ? CB SER A 145 1 -ATOM 1098 O OG . SER A 1 145 . -1.903 75.113 51.205 1 15.89 ? OG SER A 145 1 -ATOM 1099 N N . LEU A 1 146 . -3.436 70.823 50.382 1 16.79 ? N LEU A 146 1 -ATOM 1100 C CA . LEU A 1 146 . -4.478 69.793 50.431 1 18.68 ? CA LEU A 146 1 -ATOM 1101 C C . LEU A 1 146 . -5.026 69.673 51.849 1 20.48 ? C LEU A 146 1 -ATOM 1102 O O . LEU A 1 146 . -4.548 70.291 52.79 1 21.78 ? O LEU A 146 1 -ATOM 1103 C CB . LEU A 1 146 . -3.892 68.376 50.129 1 16.79 ? CB LEU A 146 1 -ATOM 1104 C CG . LEU A 1 146 . -2.875 68.317 48.994 1 14.27 ? CG LEU A 146 1 -ATOM 1105 C CD1 . LEU A 1 146 . -2.457 66.882 48.684 1 13.59 ? CD1 LEU A 146 1 -ATOM 1106 C CD2 . LEU A 1 146 . -3.47 68.973 47.764 1 19.32 ? CD2 LEU A 146 1 -ATOM 1107 N N . SER A 1 147 . -6.012 68.801 51.976 1 19.32 ? N SER A 147 1 -ATOM 1108 C CA . SER A 1 147 . -6.625 68.454 53.232 1 18.72 ? CA SER A 147 1 -ATOM 1109 C C . SER A 1 147 . -6.769 66.967 53.082 1 19.4 ? C SER A 147 1 -ATOM 1110 O O . SER A 1 147 . -6.957 66.501 51.965 1 22.27 ? O SER A 147 1 -ATOM 1111 C CB . SER A 1 147 . -8.036 69.035 53.378 1 20.89 ? CB SER A 147 1 -ATOM 1112 O OG . SER A 1 147 . -7.956 70.444 53.544 1 37.06 ? OG SER A 147 1 -ATOM 1113 N N . TYR A 1 148 . -6.666 66.195 54.149 1 17.63 ? N TYR A 148 1 -ATOM 1114 C CA . TYR A 1 148 . -6.852 64.775 54.008 1 13.26 ? CA TYR A 148 1 -ATOM 1115 C C . TYR A 1 148 . -7.206 64.252 55.354 1 11.54 ? C TYR A 148 1 -ATOM 1116 O O . TYR A 1 148 . -6.831 64.78 56.38 1 13.23 ? O TYR A 148 1 -ATOM 1117 C CB . TYR A 1 148 . -5.637 64.082 53.421 1 14.4 ? CB TYR A 148 1 -ATOM 1118 C CG . TYR A 1 148 . -4.381 64.141 54.265 1 9.41 ? CG TYR A 148 1 -ATOM 1119 C CD1 . TYR A 1 148 . -3.487 65.221 54.133 1 10.32 ? CD1 TYR A 148 1 -ATOM 1120 C CD2 . TYR A 1 148 . -4.081 63.096 55.175 1 10.52 ? CD2 TYR A 148 1 -ATOM 1121 C CE1 . TYR A 1 148 . -2.315 65.264 54.877 1 12.35 ? CE1 TYR A 148 1 -ATOM 1122 C CE2 . TYR A 1 148 . -2.915 63.128 55.942 1 7.28 ? CE2 TYR A 148 1 -ATOM 1123 C CZ . TYR A 1 148 . -2.053 64.227 55.784 1 8.13 ? CZ TYR A 148 1 -ATOM 1124 O OH . TYR A 1 148 . -0.947 64.277 56.571 1 10.17 ? OH TYR A 148 1 -ATOM 1125 N N . ARG A 1 149 . -7.992 63.207 55.347 1 8.06 ? N ARG A 149 1 -ATOM 1126 C CA . ARG A 1 149 . -8.396 62.667 56.614 1 7.55 ? CA ARG A 149 1 -ATOM 1127 C C . ARG A 1 149 . -7.23 62.04 57.315 1 10.66 ? C ARG A 149 1 -ATOM 1128 O O . ARG A 1 149 . -6.502 61.285 56.693 1 15.64 ? O ARG A 149 1 -ATOM 1129 C CB . ARG A 1 149 . -9.464 61.634 56.327 1 2.81 ? CB ARG A 149 1 -ATOM 1130 C CG . ARG A 1 149 . -10.742 62.352 55.885 1 4.63 ? CG ARG A 149 1 -ATOM 1131 C CD . ARG A 1 149 . -11.813 61.344 55.529 1 7.73 ? CD ARG A 149 1 -ATOM 1132 N NE . ARG A 1 149 . -11.515 60.858 54.207 1 6.6 ? NE ARG A 149 1 -ATOM 1133 C CZ . ARG A 1 149 . -12.149 59.825 53.671 1 8.52 ? CZ ARG A 149 1 -ATOM 1134 N NH1 . ARG A 1 149 . -12.956 59.041 54.382 1 5.14 ? NH1 ARG A 149 1 -ATOM 1135 N NH2 . ARG A 1 149 . -11.952 59.587 52.384 1 12.44 ? NH2 ARG A 149 1 -ATOM 1136 N N . VAL A 1 150 . -7.116 62.352 58.605 1 10.93 ? N VAL A 150 1 -ATOM 1137 C CA . VAL A 1 150 . -6.094 61.871 59.496 1 9.4 ? CA VAL A 150 1 -ATOM 1138 C C . VAL A 1 150 . -6.789 60.995 60.528 1 11.21 ? C VAL A 150 1 -ATOM 1139 O O . VAL A 1 150 . -8.006 60.908 60.612 1 10.42 ? O VAL A 150 1 -ATOM 1140 C CB . VAL A 1 150 . -5.471 63.106 60.162 1 5.14 ? CB VAL A 150 1 -ATOM 1141 C CG1 . VAL A 1 150 . -4.638 63.903 59.153 1 8.3 ? CG1 VAL A 150 1 -ATOM 1142 C CG2 . VAL A 1 150 . -6.524 64.009 60.828 1 2 ? CG2 VAL A 150 1 -ATOM 1143 N N . GLY A 1 151 . -6.004 60.306 61.333 1 8.74 ? N GLY A 151 1 -ATOM 1144 C CA . GLY A 1 151 . -6.612 59.499 62.367 1 13.27 ? CA GLY A 151 1 -ATOM 1145 C C . GLY A 1 151 . -7.414 58.318 61.874 1 13.43 ? C GLY A 151 1 -ATOM 1146 O O . GLY A 1 151 . -7.234 57.777 60.799 1 18.94 ? O GLY A 151 1 -ATOM 1147 N N . ALA A 1 152 . -8.338 57.913 62.734 1 15.81 ? N ALA A 152 1 -ATOM 1148 C CA . ALA A 1 152 . -9.201 56.786 62.448 1 15.08 ? CA ALA A 152 1 -ATOM 1149 C C . ALA A 1 152 . -9.902 56.996 61.142 1 16.48 ? C ALA A 152 1 -ATOM 1150 O O . ALA A 1 152 . -9.926 56.157 60.255 1 19.77 ? O ALA A 152 1 -ATOM 1151 C CB . ALA A 1 152 . -10.277 56.644 63.557 1 16.38 ? CB ALA A 152 1 -ATOM 1152 N N . PHE A 1 153 . -10.456 58.201 61.068 1 16.47 ? N PHE A 153 1 -ATOM 1153 C CA . PHE A 1 153 . -11.234 58.661 59.929 1 17.52 ? CA PHE A 153 1 -ATOM 1154 C C . PHE A 1 153 . -10.564 58.546 58.59 1 19.1 ? C PHE A 153 1 -ATOM 1155 O O . PHE A 1 153 . -11.256 58.502 57.578 1 22.12 ? O PHE A 153 1 -ATOM 1156 C CB . PHE A 1 153 . -11.598 60.141 60.079 1 17.58 ? CB PHE A 153 1 -ATOM 1157 C CG . PHE A 1 153 . -12.25 60.434 61.396 1 18.29 ? CG PHE A 153 1 -ATOM 1158 C CD1 . PHE A 1 153 . -13.592 60.077 61.604 1 17.81 ? CD1 PHE A 153 1 -ATOM 1159 C CD2 . PHE A 1 153 . -11.517 61.048 62.428 1 19.79 ? CD2 PHE A 153 1 -ATOM 1160 C CE1 . PHE A 1 153 . -14.192 60.328 62.843 1 19.64 ? CE1 PHE A 153 1 -ATOM 1161 C CE2 . PHE A 1 153 . -12.119 61.298 63.664 1 14.71 ? CE2 PHE A 153 1 -ATOM 1162 C CZ . PHE A 1 153 . -13.454 60.935 63.873 1 16.31 ? CZ PHE A 153 1 -ATOM 1163 N N . GLY A 1 154 . -9.223 58.559 58.589 1 17.08 ? N GLY A 154 1 -ATOM 1164 C CA . GLY A 1 154 . -8.51 58.461 57.335 1 13.2 ? CA GLY A 154 1 -ATOM 1165 C C . GLY A 1 154 . -7.645 57.226 57.227 1 16.76 ? C GLY A 154 1 -ATOM 1166 O O . GLY A 1 154 . -7.2 56.899 56.126 1 21.42 ? O GLY A 154 1 -ATOM 1167 N N . PHE A 1 155 . -7.41 56.495 58.332 1 10.13 ? N PHE A 155 1 -ATOM 1168 C CA . PHE A 1 155 . -6.518 55.357 58.19 1 4.35 ? CA PHE A 155 1 -ATOM 1169 C C . PHE A 1 155 . -6.946 54.07 58.856 1 6.32 ? C PHE A 155 1 -ATOM 1170 O O . PHE A 1 155 . -6.132 53.154 59.01 1 5.8 ? O PHE A 155 1 -ATOM 1171 C CB . PHE A 1 155 . -5.11 55.781 58.6 1 2.53 ? CB PHE A 155 1 -ATOM 1172 C CG . PHE A 1 155 . -4.545 56.853 57.682 1 7.11 ? CG PHE A 155 1 -ATOM 1173 C CD1 . PHE A 1 155 . -4.762 58.218 57.957 1 7.24 ? CD1 PHE A 155 1 -ATOM 1174 C CD2 . PHE A 1 155 . -3.771 56.499 56.553 1 8.43 ? CD2 PHE A 155 1 -ATOM 1175 C CE1 . PHE A 1 155 . -4.2 59.206 57.133 1 6.69 ? CE1 PHE A 155 1 -ATOM 1176 C CE2 . PHE A 1 155 . -3.213 57.491 55.732 1 5.43 ? CE2 PHE A 155 1 -ATOM 1177 C CZ . PHE A 1 155 . -3.423 58.846 56.027 1 3.73 ? CZ PHE A 155 1 -ATOM 1178 N N . LEU A 1 156 . -8.224 53.988 59.25 1 5.3 ? N LEU A 156 1 -ATOM 1179 C CA . LEU A 1 156 . -8.702 52.738 59.857 1 8.53 ? CA LEU A 156 1 -ATOM 1180 C C . LEU A 1 156 . -8.566 51.683 58.777 1 8.36 ? C LEU A 156 1 -ATOM 1181 O O . LEU A 1 156 . -8.85 51.994 57.634 1 10.64 ? O LEU A 156 1 -ATOM 1182 C CB . LEU A 1 156 . -10.174 52.893 60.269 1 11.58 ? CB LEU A 156 1 -ATOM 1183 C CG . LEU A 1 156 . -10.789 51.648 60.921 1 9.96 ? CG LEU A 156 1 -ATOM 1184 C CD1 . LEU A 1 156 . -10.048 51.273 62.201 1 13.48 ? CD1 LEU A 156 1 -ATOM 1185 C CD2 . LEU A 1 156 . -12.269 51.889 61.218 1 11.63 ? CD2 LEU A 156 1 -ATOM 1186 N N . ALA A 1 157 . -8.18 50.451 59.089 1 8.96 ? N ALA A 157 1 -ATOM 1187 C CA . ALA A 1 157 . -8.007 49.543 57.969 1 8.75 ? CA ALA A 157 1 -ATOM 1188 C C . ALA A 1 157 . -8.408 48.094 58.168 1 12.3 ? C ALA A 157 1 -ATOM 1189 O O . ALA A 1 157 . -7.582 47.229 58.464 1 8.91 ? O ALA A 157 1 -ATOM 1190 C CB . ALA A 1 157 . -6.513 49.552 57.612 1 8.11 ? CB ALA A 157 1 -ATOM 1191 N N . LEU A 1 158 . -9.694 47.818 57.925 1 15.41 ? N LEU A 158 1 -ATOM 1192 C CA . LEU A 1 158 . -10.188 46.44 58.014 1 18.08 ? CA LEU A 158 1 -ATOM 1193 C C . LEU A 1 158 . -10 45.902 56.602 1 18.96 ? C LEU A 158 1 -ATOM 1194 O O . LEU A 1 158 . -10.913 45.777 55.804 1 19.4 ? O LEU A 158 1 -ATOM 1195 C CB . LEU A 1 158 . -11.651 46.445 58.445 1 16.34 ? CB LEU A 158 1 -ATOM 1196 C CG . LEU A 1 158 . -11.791 46.932 59.889 1 16.07 ? CG LEU A 158 1 -ATOM 1197 C CD1 . LEU A 1 158 . -13.179 47.487 60.148 1 16.62 ? CD1 LEU A 158 1 -ATOM 1198 C CD2 . LEU A 1 158 . -11.417 45.835 60.895 1 16.5 ? CD2 LEU A 158 1 -ATOM 1199 N N . HIS A 1 159 . -8.738 45.603 56.329 1 22.98 ? N HIS A 159 1 -ATOM 1200 C CA . HIS A 1 159 . -8.257 45.148 55.04 1 30.84 ? CA HIS A 159 1 -ATOM 1201 C C . HIS A 1 159 . -9.211 44.578 54.011 1 34.01 ? C HIS A 159 1 -ATOM 1202 O O . HIS A 1 159 . -9.41 45.223 52.986 1 40.62 ? O HIS A 159 1 -ATOM 1203 C CB . HIS A 1 159 . -6.949 44.348 55.106 1 38.7 ? CB HIS A 159 1 -ATOM 1204 C CG . HIS A 1 159 . -6.384 44.161 53.698 1 45.22 ? CG HIS A 159 1 -ATOM 1205 N ND1 . HIS A 1 159 . -6.542 45.038 52.67 1 47.49 ? ND1 HIS A 159 1 -ATOM 1206 C CD2 . HIS A 1 159 . -5.646 43.062 53.201 1 48.81 ? CD2 HIS A 159 1 -ATOM 1207 C CE1 . HIS A 1 159 . -5.92 44.506 51.599 1 48.99 ? CE1 HIS A 159 1 -ATOM 1208 N NE2 . HIS A 1 159 . -5.375 43.317 51.906 1 48.28 ? NE2 HIS A 159 1 -ATOM 1209 N N . GLY A 1 160 . -9.753 43.384 54.212 1 32.34 ? N GLY A 160 1 -ATOM 1210 C CA . GLY A 1 160 . -10.62 42.905 53.139 1 30.82 ? CA GLY A 160 1 -ATOM 1211 C C . GLY A 1 160 . -11.985 43.554 53.111 1 33.28 ? C GLY A 160 1 -ATOM 1212 O O . GLY A 1 160 . -12.973 42.851 52.919 1 37.69 ? O GLY A 160 1 -ATOM 1213 N N . SER A 1 161 . -12.084 44.86 53.31 1 32.25 ? N SER A 161 1 -ATOM 1214 C CA . SER A 1 161 . -13.387 45.468 53.317 1 33.51 ? CA SER A 161 1 -ATOM 1215 C C . SER A 1 161 . -13.352 46.684 52.425 1 34.9 ? C SER A 161 1 -ATOM 1216 O O . SER A 1 161 . -12.417 47.471 52.363 1 39.21 ? O SER A 161 1 -ATOM 1217 C CB . SER A 1 161 . -13.697 45.914 54.752 1 31.18 ? CB SER A 161 1 -ATOM 1218 O OG . SER A 1 161 . -15.002 46.512 54.807 1 36.26 ? OG SER A 161 1 -ATOM 1219 N N . GLN A 1 162 . -14.531 46.811 51.795 1 35.8 ? N GLN A 162 1 -ATOM 1220 C CA . GLN A 1 162 . -14.72 47.953 50.9 1 36.93 ? CA GLN A 162 1 -ATOM 1221 C C . GLN A 1 162 . -15.178 49.161 51.716 1 34.72 ? C GLN A 162 1 -ATOM 1222 O O . GLN A 1 162 . -15.019 50.319 51.367 1 36.56 ? O GLN A 162 1 -ATOM 1223 C CB . GLN A 1 162 . -15.836 47.628 49.86 1 39.31 ? CB GLN A 162 1 -ATOM 1224 C CG . GLN A 1 162 . -15.532 46.469 48.834 1 41.84 ? CG GLN A 162 1 -ATOM 1225 N N . GLU A 1 163 . -15.808 48.818 52.853 1 31.51 ? N GLU A 163 1 -ATOM 1226 C CA . GLU A 1 163 . -16.312 49.886 53.716 1 26.96 ? CA GLU A 163 1 -ATOM 1227 C C . GLU A 1 163 . -15.213 50.641 54.439 1 23.35 ? C GLU A 163 1 -ATOM 1228 O O . GLU A 1 163 . -15.34 51.82 54.704 1 26.46 ? O GLU A 163 1 -ATOM 1229 C CB . GLU A 1 163 . -17.382 49.341 54.675 1 29.38 ? CB GLU A 163 1 -ATOM 1230 C CG . GLU A 1 163 . -18.573 48.666 53.964 1 23.59 ? CG GLU A 163 1 -ATOM 1231 C CD . GLU A 1 163 . -19.228 49.607 52.977 1 23.58 ? CD GLU A 163 1 -ATOM 1232 N N . ALA A 1 164 . -14.15 49.927 54.793 1 16.59 ? N ALA A 164 1 -ATOM 1233 C CA . ALA A 1 164 . -13.012 50.549 55.458 1 15.06 ? CA ALA A 164 1 -ATOM 1234 C C . ALA A 1 164 . -11.768 49.786 54.98 1 16.71 ? C ALA A 164 1 -ATOM 1235 O O . ALA A 1 164 . -11.191 48.965 55.698 1 20.04 ? O ALA A 164 1 -ATOM 1236 C CB . ALA A 1 164 . -13.102 50.473 56.993 1 9.11 ? CB ALA A 164 1 -ATOM 1237 N N . PRO A 1 165 . -11.363 50.053 53.733 1 14.97 ? N PRO A 165 1 -ATOM 1238 C CA . PRO A 1 165 . -10.059 49.592 53.279 1 13.44 ? CA PRO A 165 1 -ATOM 1239 C C . PRO A 1 165 . -9.125 50.605 53.898 1 16.94 ? C PRO A 165 1 -ATOM 1240 O O . PRO A 1 165 . -9.521 51.684 54.341 1 23.84 ? O PRO A 165 1 -ATOM 1241 C CB . PRO A 1 165 . -10.132 49.788 51.767 1 14.41 ? CB PRO A 165 1 -ATOM 1242 C CG . PRO A 1 165 . -11.148 50.929 51.544 1 13.25 ? CG PRO A 165 1 -ATOM 1243 C CD . PRO A 1 165 . -12.055 50.921 52.779 1 11.35 ? CD PRO A 165 1 -ATOM 1244 N N . GLY A 1 166 . -7.847 50.29 53.93 1 14.46 ? N GLY A 166 1 -ATOM 1245 C CA . GLY A 1 166 . -7.054 51.348 54.567 1 15.06 ? CA GLY A 166 1 -ATOM 1246 C C . GLY A 1 166 . -6.75 52.485 53.617 1 10.6 ? C GLY A 166 1 -ATOM 1247 O O . GLY A 1 166 . -7.401 52.732 52.616 1 14.05 ? O GLY A 166 1 -ATOM 1248 N N . ASN A 1 167 . -5.69 53.192 53.974 1 6.94 ? N ASN A 167 1 -ATOM 1249 C CA . ASN A 1 167 . -5.128 54.278 53.193 1 3.98 ? CA ASN A 167 1 -ATOM 1250 C C . ASN A 1 167 . -6.064 55.306 52.602 1 5.66 ? C ASN A 167 1 -ATOM 1251 O O . ASN A 1 167 . -5.674 56.072 51.728 1 7.4 ? O ASN A 167 1 -ATOM 1252 C CB . ASN A 1 167 . -4.268 53.663 52.087 1 2 ? CB ASN A 167 1 -ATOM 1253 C CG . ASN A 1 167 . -3.276 52.695 52.707 1 8.15 ? CG ASN A 167 1 -ATOM 1254 O OD1 . ASN A 1 167 . -2.762 52.947 53.782 1 16.28 ? OD1 ASN A 167 1 -ATOM 1255 N ND2 . ASN A 1 167 . -3.023 51.567 52.071 1 7.46 ? ND2 ASN A 167 1 -ATOM 1256 N N . VAL A 1 168 . -7.279 55.39 53.11 1 6.08 ? N VAL A 168 1 -ATOM 1257 C CA . VAL A 1 168 . -8.209 56.344 52.551 1 8.29 ? CA VAL A 168 1 -ATOM 1258 C C . VAL A 1 168 . -7.717 57.784 52.574 1 10.31 ? C VAL A 168 1 -ATOM 1259 O O . VAL A 1 168 . -7.963 58.584 51.681 1 17.23 ? O VAL A 168 1 -ATOM 1260 C CB . VAL A 1 168 . -9.541 56.083 53.259 1 9.91 ? CB VAL A 168 1 -ATOM 1261 C CG1 . VAL A 1 168 . -10.541 57.207 53.16 1 7.1 ? CG1 VAL A 168 1 -ATOM 1262 C CG2 . VAL A 1 168 . -10.166 54.775 52.74 1 11.93 ? CG2 VAL A 168 1 -ATOM 1263 N N . GLY A 1 169 . -6.979 58.137 53.601 1 14.57 ? N GLY A 169 1 -ATOM 1264 C CA . GLY A 1 169 . -6.485 59.514 53.652 1 13.64 ? CA GLY A 169 1 -ATOM 1265 C C . GLY A 1 169 . -5.486 59.788 52.558 1 11.8 ? C GLY A 169 1 -ATOM 1266 O O . GLY A 1 169 . -5.331 60.897 52.058 1 12.92 ? O GLY A 169 1 -ATOM 1267 N N . LEU A 1 170 . -4.818 58.707 52.181 1 8 ? N LEU A 170 1 -ATOM 1268 C CA . LEU A 1 170 . -3.813 58.722 51.151 1 8.15 ? CA LEU A 170 1 -ATOM 1269 C C . LEU A 1 170 . -4.537 58.945 49.82 1 10.89 ? C LEU A 170 1 -ATOM 1270 O O . LEU A 1 170 . -4.164 59.742 48.956 1 10.83 ? O LEU A 170 1 -ATOM 1271 C CB . LEU A 1 170 . -3.015 57.415 51.312 1 5.68 ? CB LEU A 170 1 -ATOM 1272 C CG . LEU A 1 170 . -1.491 57.557 51.374 1 3.76 ? CG LEU A 170 1 -ATOM 1273 C CD1 . LEU A 1 170 . -0.946 58.687 52.256 1 4.84 ? CD1 LEU A 170 1 -ATOM 1274 C CD2 . LEU A 1 170 . -0.888 56.218 51.803 1 3.4 ? CD2 LEU A 170 1 -ATOM 1275 N N . LEU A 1 171 . -5.679 58.255 49.7 1 12.59 ? N LEU A 171 1 -ATOM 1276 C CA . LEU A 1 171 . -6.45 58.469 48.466 1 13.94 ? CA LEU A 171 1 -ATOM 1277 C C . LEU A 1 171 . -6.95 59.916 48.384 1 16.31 ? C LEU A 171 1 -ATOM 1278 O O . LEU A 1 171 . -6.981 60.529 47.327 1 22.51 ? O LEU A 171 1 -ATOM 1279 C CB . LEU A 1 171 . -7.633 57.509 48.325 1 6.31 ? CB LEU A 171 1 -ATOM 1280 C CG . LEU A 1 171 . -7.182 56.046 48.32 1 4.35 ? CG LEU A 171 1 -ATOM 1281 C CD1 . LEU A 1 171 . -8.382 55.107 48.295 1 10.78 ? CD1 LEU A 171 1 -ATOM 1282 C CD2 . LEU A 1 171 . -6.277 55.739 47.141 1 7.49 ? CD2 LEU A 171 1 -ATOM 1283 N N . ASP A 1 172 . -7.333 60.493 49.524 1 15.07 ? N ASP A 172 1 -ATOM 1284 C CA . ASP A 1 172 . -7.785 61.875 49.442 1 14.35 ? CA ASP A 172 1 -ATOM 1285 C C . ASP A 1 172 . -6.727 62.773 48.866 1 15.63 ? C ASP A 172 1 -ATOM 1286 O O . ASP A 1 172 . -7.038 63.722 48.161 1 18.63 ? O ASP A 172 1 -ATOM 1287 C CB . ASP A 1 172 . -8.118 62.497 50.799 1 18.99 ? CB ASP A 172 1 -ATOM 1288 C CG . ASP A 1 172 . -9.113 61.733 51.635 1 24.06 ? CG ASP A 172 1 -ATOM 1289 O OD1 . ASP A 1 172 . -9.846 60.915 51.094 1 26.06 ? OD1 ASP A 172 1 -ATOM 1290 O OD2 . ASP A 1 172 . -9.144 61.963 52.839 1 30.47 ? OD2 ASP A 172 1 -ATOM 1291 N N . GLN A 1 173 . -5.463 62.456 49.191 1 15.38 ? N GLN A 173 1 -ATOM 1292 C CA . GLN A 1 173 . -4.376 63.289 48.687 1 13.29 ? CA GLN A 173 1 -ATOM 1293 C C . GLN A 1 173 . -4.322 63.187 47.198 1 13.91 ? C GLN A 173 1 -ATOM 1294 O O . GLN A 1 173 . -4.22 64.154 46.457 1 14.44 ? O GLN A 173 1 -ATOM 1295 C CB . GLN A 1 173 . -3.008 62.871 49.249 1 10.88 ? CB GLN A 173 1 -ATOM 1296 C CG . GLN A 1 173 . -2.957 62.897 50.779 1 12.69 ? CG GLN A 173 1 -ATOM 1297 C CD . GLN A 1 173 . -1.554 62.665 51.307 1 12.03 ? CD GLN A 173 1 -ATOM 1298 O OE1 . GLN A 1 173 . -0.559 62.832 50.633 1 8.8 ? OE1 GLN A 173 1 -ATOM 1299 N NE2 . GLN A 1 173 . -1.48 62.303 52.567 1 17.3 ? NE2 GLN A 173 1 -ATOM 1300 N N . ARG A 1 174 . -4.424 61.93 46.775 1 14.81 ? N ARG A 174 1 -ATOM 1301 C CA . ARG A 1 174 . -4.386 61.661 45.346 1 13.15 ? CA ARG A 174 1 -ATOM 1302 C C . ARG A 1 174 . -5.47 62.412 44.626 1 11.65 ? C ARG A 174 1 -ATOM 1303 O O . ARG A 1 174 . -5.216 63.072 43.635 1 14.76 ? O ARG A 174 1 -ATOM 1304 C CB . ARG A 1 174 . -4.52 60.167 45.099 1 10.52 ? CB ARG A 174 1 -ATOM 1305 C CG . ARG A 1 174 . -4.373 59.751 43.646 1 7.57 ? CG ARG A 174 1 -ATOM 1306 C CD . ARG A 1 174 . -4.632 58.244 43.505 1 15.22 ? CD ARG A 174 1 -ATOM 1307 N NE . ARG A 1 174 . -3.503 57.506 44.014 1 12.35 ? NE ARG A 174 1 -ATOM 1308 C CZ . ARG A 1 174 . -3.431 56.166 44.057 1 16.56 ? CZ ARG A 174 1 -ATOM 1309 N NH1 . ARG A 1 174 . -4.5 55.388 43.885 1 13.82 ? NH1 ARG A 174 1 -ATOM 1310 N NH2 . ARG A 1 174 . -2.258 55.603 44.296 1 15.94 ? NH2 ARG A 174 1 -ATOM 1311 N N . MET A 1 175 . -6.692 62.313 45.14 1 9.23 ? N MET A 175 1 -ATOM 1312 C CA . MET A 1 175 . -7.79 63.018 44.507 1 9.52 ? CA MET A 175 1 -ATOM 1313 C C . MET A 1 175 . -7.516 64.506 44.372 1 11.08 ? C MET A 175 1 -ATOM 1314 O O . MET A 1 175 . -7.845 65.149 43.384 1 14.83 ? O MET A 175 1 -ATOM 1315 C CB . MET A 1 175 . -9.079 62.809 45.275 1 12.36 ? CB MET A 175 1 -ATOM 1316 C CG . MET A 1 175 . -10.28 63.432 44.559 1 17.99 ? CG MET A 175 1 -ATOM 1317 S SD . MET A 1 175 . -11.671 62.302 44.755 1 26.77 ? SD MET A 175 1 -ATOM 1318 C CE . MET A 1 175 . -11.147 61.18 43.418 1 23.6 ? CE MET A 175 1 -ATOM 1319 N N . ALA A 1 176 . -6.883 65.076 45.383 1 13.8 ? N ALA A 176 1 -ATOM 1320 C CA . ALA A 1 176 . -6.607 66.488 45.224 1 12.57 ? CA ALA A 176 1 -ATOM 1321 C C . ALA A 1 176 . -5.559 66.667 44.156 1 11.01 ? C ALA A 176 1 -ATOM 1322 O O . ALA A 1 176 . -5.618 67.616 43.404 1 14.19 ? O ALA A 176 1 -ATOM 1323 C CB . ALA A 1 176 . -6.152 67.113 46.519 1 15.81 ? CB ALA A 176 1 -ATOM 1324 N N . LEU A 1 177 . -4.603 65.74 44.08 1 12.4 ? N LEU A 177 1 -ATOM 1325 C CA . LEU A 1 177 . -3.565 65.816 43.039 1 15.13 ? CA LEU A 177 1 -ATOM 1326 C C . LEU A 1 177 . -4.202 65.733 41.646 1 17.24 ? C LEU A 177 1 -ATOM 1327 O O . LEU A 1 177 . -3.788 66.347 40.668 1 19.47 ? O LEU A 177 1 -ATOM 1328 C CB . LEU A 1 177 . -2.537 64.662 43.18 1 13.77 ? CB LEU A 177 1 -ATOM 1329 C CG . LEU A 1 177 . -1.163 64.996 43.81 1 9.51 ? CG LEU A 177 1 -ATOM 1330 C CD1 . LEU A 1 177 . -1.056 66.379 44.458 1 2.74 ? CD1 LEU A 177 1 -ATOM 1331 C CD2 . LEU A 1 177 . -0.756 63.887 44.783 1 8.15 ? CD2 LEU A 177 1 -ATOM 1332 N N . GLN A 1 178 . -5.261 64.929 41.573 1 17.82 ? N GLN A 178 1 -ATOM 1333 C CA . GLN A 1 178 . -5.959 64.804 40.312 1 14.51 ? CA GLN A 178 1 -ATOM 1334 C C . GLN A 1 178 . -6.584 66.124 39.954 1 13.43 ? C GLN A 178 1 -ATOM 1335 O O . GLN A 1 178 . -6.358 66.654 38.885 1 21.47 ? O GLN A 178 1 -ATOM 1336 C CB . GLN A 1 178 . -7.046 63.733 40.379 1 10.61 ? CB GLN A 178 1 -ATOM 1337 C CG . GLN A 1 178 . -7.709 63.438 39.027 1 18.8 ? CG GLN A 178 1 -ATOM 1338 C CD . GLN A 1 178 . -6.842 62.486 38.228 1 21.16 ? CD GLN A 178 1 -ATOM 1339 O OE1 . GLN A 1 178 . -6.622 61.349 38.61 1 25.52 ? OE1 GLN A 178 1 -ATOM 1340 N NE2 . GLN A 1 178 . -6.331 62.966 37.106 1 22.73 ? NE2 GLN A 178 1 -ATOM 1341 N N . TRP A 1 179 . -7.383 66.675 40.85 1 10.74 ? N TRP A 179 1 -ATOM 1342 C CA . TRP A 1 179 . -8.034 67.945 40.549 1 10.13 ? CA TRP A 179 1 -ATOM 1343 C C . TRP A 1 179 . -7.021 68.996 40.155 1 12 ? C TRP A 179 1 -ATOM 1344 O O . TRP A 1 179 . -7.252 69.795 39.264 1 19.76 ? O TRP A 179 1 -ATOM 1345 C CB . TRP A 1 179 . -8.838 68.399 41.776 1 10.49 ? CB TRP A 179 1 -ATOM 1346 C CG . TRP A 1 179 . -9.853 69.491 41.51 1 6.08 ? CG TRP A 179 1 -ATOM 1347 C CD1 . TRP A 1 179 . -11.25 69.295 41.381 1 9.25 ? CD1 TRP A 179 1 -ATOM 1348 C CD2 . TRP A 1 179 . -9.633 70.88 41.419 1 4.45 ? CD2 TRP A 179 1 -ATOM 1349 N NE1 . TRP A 1 179 . -11.899 70.487 41.223 1 8.77 ? NE1 TRP A 179 1 -ATOM 1350 C CE2 . TRP A 1 179 . -10.977 71.493 41.236 1 2.68 ? CE2 TRP A 179 1 -ATOM 1351 C CE3 . TRP A 1 179 . -8.5 71.697 41.465 1 2 ? CE3 TRP A 179 1 -ATOM 1352 C CZ2 . TRP A 1 179 . -11.1 72.872 41.112 1 2.18 ? CZ2 TRP A 179 1 -ATOM 1353 C CZ3 . TRP A 1 179 . -8.663 73.088 41.336 1 2.57 ? CZ3 TRP A 179 1 -ATOM 1354 C CH2 . TRP A 1 179 . -9.937 73.663 41.165 1 2 ? CH2 TRP A 179 1 -ATOM 1355 N N . VAL A 1 180 . -5.873 69.006 40.81 1 11.87 ? N VAL A 180 1 -ATOM 1356 C CA . VAL A 1 180 . -4.876 70.004 40.443 1 11.64 ? CA VAL A 180 1 -ATOM 1357 C C . VAL A 1 180 . -4.423 69.78 39.005 1 14.32 ? C VAL A 180 1 -ATOM 1358 O O . VAL A 1 180 . -4.296 70.711 38.218 1 14.72 ? O VAL A 180 1 -ATOM 1359 C CB . VAL A 1 180 . -3.729 69.94 41.459 1 5.95 ? CB VAL A 180 1 -ATOM 1360 C CG1 . VAL A 1 180 . -2.492 70.774 41.089 1 7.08 ? CG1 VAL A 180 1 -ATOM 1361 C CG2 . VAL A 1 180 . -4.286 70.381 42.817 1 9.69 ? CG2 VAL A 180 1 -ATOM 1362 N N . HIS A 1 181 . -4.209 68.51 38.675 1 15.12 ? N HIS A 181 1 -ATOM 1363 C CA . HIS A 1 181 . -3.773 68.124 37.336 1 17.44 ? CA HIS A 181 1 -ATOM 1364 C C . HIS A 1 181 . -4.755 68.548 36.26 1 17.59 ? C HIS A 181 1 -ATOM 1365 O O . HIS A 1 181 . -4.426 69.055 35.2 1 21.94 ? O HIS A 181 1 -ATOM 1366 C CB . HIS A 1 181 . -3.624 66.595 37.336 1 19.59 ? CB HIS A 181 1 -ATOM 1367 C CG . HIS A 1 181 . -3.014 66.035 36.074 1 25.78 ? CG HIS A 181 1 -ATOM 1368 N ND1 . HIS A 1 181 . -3.709 65.319 35.169 1 24.3 ? ND1 HIS A 181 1 -ATOM 1369 C CD2 . HIS A 1 181 . -1.65 66.07 35.68 1 30.09 ? CD2 HIS A 181 1 -ATOM 1370 C CE1 . HIS A 1 181 . -2.819 64.901 34.257 1 31.34 ? CE1 HIS A 181 1 -ATOM 1371 N NE2 . HIS A 1 181 . -1.573 65.342 34.544 1 35.14 ? NE2 HIS A 181 1 -ATOM 1372 N N . ASP A 1 182 . -6.016 68.345 36.586 1 16.68 ? N ASP A 182 1 -ATOM 1373 C CA . ASP A 1 182 . -7.076 68.676 35.656 1 17.41 ? CA ASP A 182 1 -ATOM 1374 C C . ASP A 1 182 . -7.573 70.11 35.729 1 19.32 ? C ASP A 182 1 -ATOM 1375 O O . ASP A 1 182 . -8.522 70.425 35.029 1 25.05 ? O ASP A 182 1 -ATOM 1376 C CB . ASP A 1 182 . -8.311 67.791 35.923 1 16.95 ? CB ASP A 182 1 -ATOM 1377 C CG . ASP A 1 182 . -8.047 66.296 35.756 1 24 ? CG ASP A 182 1 -ATOM 1378 O OD1 . ASP A 1 182 . -7.01 65.927 35.196 1 26.34 ? OD1 ASP A 182 1 -ATOM 1379 O OD2 . ASP A 1 182 . -8.894 65.503 36.173 1 23.74 ? OD2 ASP A 182 1 -ATOM 1380 N N . ASN A 1 183 . -7.035 70.994 36.574 1 14.46 ? N ASN A 183 1 -ATOM 1381 C CA . ASN A 1 183 . -7.651 72.321 36.518 1 9.77 ? CA ASN A 183 1 -ATOM 1382 C C . ASN A 1 183 . -6.696 73.42 36.867 1 14.26 ? C ASN A 183 1 -ATOM 1383 O O . ASN A 1 183 . -7.05 74.589 36.787 1 14.61 ? O ASN A 183 1 -ATOM 1384 C CB . ASN A 1 183 . -8.816 72.502 37.49 1 7.86 ? CB ASN A 183 1 -ATOM 1385 C CG . ASN A 1 183 . -9.939 71.512 37.343 1 13.76 ? CG ASN A 183 1 -ATOM 1386 O OD1 . ASN A 1 183 . -11.011 71.777 36.814 1 20.88 ? OD1 ASN A 183 1 -ATOM 1387 N ND2 . ASN A 1 183 . -9.696 70.337 37.881 1 19.16 ? ND2 ASN A 183 1 -ATOM 1388 N N . ILE A 1 184 . -5.451 73.094 37.22 1 15.04 ? N ILE A 184 1 -ATOM 1389 C CA . ILE A 1 184 . -4.58 74.188 37.591 1 15.27 ? CA ILE A 184 1 -ATOM 1390 C C . ILE A 1 184 . -4.324 75.187 36.459 1 20.74 ? C ILE A 184 1 -ATOM 1391 O O . ILE A 1 184 . -4.015 76.361 36.67 1 24.3 ? O ILE A 184 1 -ATOM 1392 C CB . ILE A 1 184 . -3.371 73.644 38.359 1 12.84 ? CB ILE A 184 1 -ATOM 1393 C CG1 . ILE A 1 184 . -2.721 74.747 39.222 1 14.79 ? CG1 ILE A 184 1 -ATOM 1394 C CG2 . ILE A 1 184 . -2.389 72.882 37.477 1 10.86 ? CG2 ILE A 184 1 -ATOM 1395 C CD1 . ILE A 1 184 . -3.634 75.214 40.373 1 14.42 ? CD1 ILE A 184 1 -ATOM 1396 N N . GLN A 1 185 . -4.498 74.683 35.222 1 21.09 ? N GLN A 185 1 -ATOM 1397 C CA . GLN A 1 185 . -4.327 75.498 34.02 1 18.39 ? CA GLN A 185 1 -ATOM 1398 C C . GLN A 1 185 . -5.223 76.718 34.082 1 18.63 ? C GLN A 185 1 -ATOM 1399 O O . GLN A 1 185 . -4.812 77.806 33.72 1 20.92 ? O GLN A 185 1 -ATOM 1400 C CB . GLN A 1 185 . -4.637 74.678 32.746 1 15.12 ? CB GLN A 185 1 -ATOM 1401 C CG . GLN A 1 185 . -5.989 73.945 32.83 1 19.6 ? CG GLN A 185 1 -ATOM 1402 C CD . GLN A 1 185 . -6.305 73.169 31.586 1 19.46 ? CD GLN A 185 1 -ATOM 1403 O OE1 . GLN A 1 185 . -6.282 71.952 31.557 1 24.41 ? OE1 GLN A 185 1 -ATOM 1404 N NE2 . GLN A 1 185 . -6.625 73.91 30.555 1 19.15 ? NE2 GLN A 185 1 -ATOM 1405 N N . PHE A 1 186 . -6.446 76.544 34.602 1 13.62 ? N PHE A 186 1 -ATOM 1406 C CA . PHE A 1 186 . -7.335 77.705 34.653 1 15.96 ? CA PHE A 186 1 -ATOM 1407 C C . PHE A 1 186 . -6.889 78.759 35.633 1 16.69 ? C PHE A 186 1 -ATOM 1408 O O . PHE A 1 186 . -7.435 79.855 35.684 1 18.51 ? O PHE A 186 1 -ATOM 1409 C CB . PHE A 1 186 . -8.799 77.332 34.931 1 18.39 ? CB PHE A 186 1 -ATOM 1410 C CG . PHE A 1 186 . -9.188 76.212 34.006 1 23.7 ? CG PHE A 186 1 -ATOM 1411 C CD1 . PHE A 1 186 . -9.287 76.437 32.624 1 23.43 ? CD1 PHE A 186 1 -ATOM 1412 C CD2 . PHE A 1 186 . -9.383 74.923 34.514 1 26.04 ? CD2 PHE A 186 1 -ATOM 1413 C CE1 . PHE A 1 186 . -9.56 75.372 31.761 1 22.42 ? CE1 PHE A 186 1 -ATOM 1414 C CE2 . PHE A 1 186 . -9.654 73.861 33.652 1 23.14 ? CE2 PHE A 186 1 -ATOM 1415 C CZ . PHE A 1 186 . -9.738 74.083 32.274 1 23.73 ? CZ PHE A 186 1 -ATOM 1416 N N . PHE A 1 187 . -5.879 78.411 36.429 1 15.55 ? N PHE A 187 1 -ATOM 1417 C CA . PHE A 1 187 . -5.357 79.346 37.407 1 14.1 ? CA PHE A 187 1 -ATOM 1418 C C . PHE A 1 187 . -3.978 79.81 36.991 1 13.32 ? C PHE A 187 1 -ATOM 1419 O O . PHE A 1 187 . -3.339 80.559 37.714 1 19.48 ? O PHE A 187 1 -ATOM 1420 C CB . PHE A 1 187 . -5.288 78.723 38.811 1 9.5 ? CB PHE A 187 1 -ATOM 1421 C CG . PHE A 1 187 . -6.641 78.3 39.334 1 4.66 ? CG PHE A 187 1 -ATOM 1422 C CD1 . PHE A 1 187 . -7.44 79.189 40.061 1 6.69 ? CD1 PHE A 187 1 -ATOM 1423 C CD2 . PHE A 1 187 . -7.114 76.999 39.104 1 6.8 ? CD2 PHE A 187 1 -ATOM 1424 C CE1 . PHE A 1 187 . -8.689 78.783 40.557 1 6.63 ? CE1 PHE A 187 1 -ATOM 1425 C CE2 . PHE A 1 187 . -8.361 76.586 39.595 1 5.03 ? CE2 PHE A 187 1 -ATOM 1426 C CZ . PHE A 1 187 . -9.154 77.48 40.325 1 3.61 ? CZ PHE A 187 1 -ATOM 1427 N N . GLY A 1 188 . -3.499 79.342 35.845 1 8.19 ? N GLY A 188 1 -ATOM 1428 C CA . GLY A 1 188 . -2.186 79.785 35.402 1 4.82 ? CA GLY A 188 1 -ATOM 1429 C C . GLY A 1 188 . -1.104 78.791 35.711 1 8.15 ? C GLY A 188 1 -ATOM 1430 O O . GLY A 1 188 . 0.08 79.026 35.509 1 9.97 ? O GLY A 188 1 -ATOM 1431 N N . GLY A 1 189 . -1.481 77.614 36.203 1 8.79 ? N GLY A 189 1 -ATOM 1432 C CA . GLY A 1 189 . -0.411 76.673 36.528 1 13.76 ? CA GLY A 189 1 -ATOM 1433 C C . GLY A 1 189 . -0.188 75.661 35.446 1 16.62 ? C GLY A 189 1 -ATOM 1434 O O . GLY A 1 189 . -1.086 75.289 34.711 1 22.62 ? O GLY A 189 1 -ATOM 1435 N N . ASP A 1 190 . 1.039 75.177 35.352 1 15.07 ? N ASP A 190 1 -ATOM 1436 C CA . ASP A 1 190 . 1.391 74.193 34.349 1 13.98 ? CA ASP A 190 1 -ATOM 1437 C C . ASP A 1 190 . 1.259 72.804 34.955 1 12.79 ? C ASP A 190 1 -ATOM 1438 O O . ASP A 1 190 . 2.108 72.434 35.749 1 11.02 ? O ASP A 190 1 -ATOM 1439 C CB . ASP A 1 190 . 2.866 74.426 33.998 1 15.65 ? CB ASP A 190 1 -ATOM 1440 C CG . ASP A 1 190 . 3.469 73.435 33.006 1 23.99 ? CG ASP A 190 1 -ATOM 1441 O OD1 . ASP A 1 190 . 2.841 72.443 32.626 1 21.26 ? OD1 ASP A 190 1 -ATOM 1442 O OD2 . ASP A 1 190 . 4.602 73.669 32.608 1 34.62 ? OD2 ASP A 190 1 -ATOM 1443 N N . PRO A 1 191 . 0.259 71.998 34.566 1 12.68 ? N PRO A 191 1 -ATOM 1444 C CA . PRO A 1 191 . 0.122 70.66 35.15 1 16.22 ? CA PRO A 191 1 -ATOM 1445 C C . PRO A 1 191 . 1.292 69.707 34.98 1 19 ? C PRO A 191 1 -ATOM 1446 O O . PRO A 1 191 . 1.365 68.673 35.628 1 22.85 ? O PRO A 191 1 -ATOM 1447 C CB . PRO A 1 191 . -1.149 70.073 34.529 1 15.2 ? CB PRO A 191 1 -ATOM 1448 C CG . PRO A 1 191 . -1.519 71.005 33.364 1 13.76 ? CG PRO A 191 1 -ATOM 1449 C CD . PRO A 1 191 . -0.786 72.335 33.612 1 11.62 ? CD PRO A 191 1 -ATOM 1450 N N . LYS A 1 192 . 2.204 70.064 34.084 1 21.61 ? N LYS A 192 1 -ATOM 1451 C CA . LYS A 1 192 . 3.363 69.217 33.86 1 28.35 ? CA LYS A 192 1 -ATOM 1452 C C . LYS A 1 192 . 4.542 69.661 34.684 1 27.64 ? C LYS A 192 1 -ATOM 1453 O O . LYS A 1 192 . 5.659 69.192 34.486 1 23.51 ? O LYS A 192 1 -ATOM 1454 C CB . LYS A 1 192 . 3.752 69.154 32.373 1 35.92 ? CB LYS A 192 1 -ATOM 1455 C CG . LYS A 1 192 . 2.56 68.817 31.45 1 47.01 ? CG LYS A 192 1 -ATOM 1456 C CD . LYS A 1 192 . 1.747 67.549 31.847 1 52.79 ? CD LYS A 192 1 -ATOM 1457 C CE . LYS A 1 192 . 0.462 67.361 31.003 1 57.95 ? CE LYS A 192 1 -ATOM 1458 N NZ . LYS A 1 192 . -0.422 66.361 31.583 1 62 ? NZ LYS A 192 1 -ATOM 1459 N N . THR A 1 193 . 4.303 70.605 35.598 1 29.06 ? N THR A 193 1 -ATOM 1460 C CA . THR A 1 193 . 5.398 71.065 36.445 1 31.46 ? CA THR A 193 1 -ATOM 1461 C C . THR A 1 193 . 4.927 71.348 37.86 1 28.81 ? C THR A 193 1 -ATOM 1462 O O . THR A 1 193 . 5.159 72.434 38.382 1 30.32 ? O THR A 193 1 -ATOM 1463 C CB . THR A 1 193 . 6.157 72.253 35.831 1 31.79 ? CB THR A 193 1 -ATOM 1464 O OG1 . THR A 1 193 . 6.252 72.054 34.417 1 35.69 ? OG1 THR A 193 1 -ATOM 1465 C CG2 . THR A 1 193 . 7.596 72.396 36.364 1 33.07 ? CG2 THR A 193 1 -ATOM 1466 N N . VAL A 1 194 . 4.224 70.353 38.45 1 27.55 ? N VAL A 194 1 -ATOM 1467 C CA . VAL A 1 194 . 3.775 70.498 39.821 1 23.61 ? CA VAL A 194 1 -ATOM 1468 C C . VAL A 1 194 . 4.735 69.675 40.659 1 23.2 ? C VAL A 194 1 -ATOM 1469 O O . VAL A 1 194 . 5.07 68.553 40.286 1 21.51 ? O VAL A 194 1 -ATOM 1470 C CB . VAL A 1 194 . 2.301 70.058 40.037 1 18.62 ? CB VAL A 194 1 -ATOM 1471 C CG1 . VAL A 1 194 . 1.364 70.532 38.913 1 23.81 ? CG1 VAL A 194 1 -ATOM 1472 C CG2 . VAL A 1 194 . 2.127 68.549 40.147 1 18.56 ? CG2 VAL A 194 1 -ATOM 1473 N N . THR A 1 195 . 5.167 70.242 41.773 1 24.74 ? N THR A 195 1 -ATOM 1474 C CA . THR A 1 195 . 6.053 69.596 42.723 1 24.42 ? CA THR A 195 1 -ATOM 1475 C C . THR A 1 195 . 5.24 69.404 44.033 1 21.5 ? C THR A 195 1 -ATOM 1476 O O . THR A 1 195 . 4.592 70.33 44.517 1 23.06 ? O THR A 195 1 -ATOM 1477 C CB . THR A 1 195 . 7.246 70.554 42.929 1 25.9 ? CB THR A 195 1 -ATOM 1478 O OG1 . THR A 1 195 . 7.944 70.758 41.698 1 26.7 ? OG1 THR A 195 1 -ATOM 1479 C CG2 . THR A 1 195 . 8.274 70.117 43.978 1 23.91 ? CG2 THR A 195 1 -ATOM 1480 N N . ILE A 1 196 . 5.234 68.191 44.586 1 17.85 ? N ILE A 196 1 -ATOM 1481 C CA . ILE A 1 196 . 4.52 68.008 45.837 1 13.44 ? CA ILE A 196 1 -ATOM 1482 C C . ILE A 1 196 . 5.592 68.167 46.934 1 17.35 ? C ILE A 196 1 -ATOM 1483 O O . ILE A 1 196 . 6.678 67.597 46.804 1 19.81 ? O ILE A 196 1 -ATOM 1484 C CB . ILE A 1 196 . 3.856 66.618 45.882 1 4.26 ? CB ILE A 196 1 -ATOM 1485 C CG1 . ILE A 1 196 . 4.785 65.463 45.468 1 2 ? CG1 ILE A 196 1 -ATOM 1486 C CG2 . ILE A 1 196 . 2.594 66.612 45.039 1 3.52 ? CG2 ILE A 196 1 -ATOM 1487 C CD1 . ILE A 1 196 . 4.19 64.075 45.727 1 2 ? CD1 ILE A 196 1 -ATOM 1488 N N . PHE A 1 197 . 5.316 68.96 47.982 1 16.41 ? N PHE A 197 1 -ATOM 1489 C CA . PHE A 1 197 . 6.277 69.12 49.077 1 15.7 ? CA PHE A 197 1 -ATOM 1490 C C . PHE A 1 197 . 5.505 68.817 50.347 1 16.69 ? C PHE A 197 1 -ATOM 1491 O O . PHE A 1 197 . 4.294 68.99 50.354 1 20.3 ? O PHE A 197 1 -ATOM 1492 C CB . PHE A 1 197 . 7.093 70.444 49.051 1 14.78 ? CB PHE A 197 1 -ATOM 1493 C CG . PHE A 1 197 . 6.459 71.814 49.265 1 11.75 ? CG PHE A 197 1 -ATOM 1494 C CD1 . PHE A 1 197 . 5.179 72.144 48.782 1 8.99 ? CD1 PHE A 197 1 -ATOM 1495 C CD2 . PHE A 1 197 . 7.204 72.808 49.944 1 6.26 ? CD2 PHE A 197 1 -ATOM 1496 C CE1 . PHE A 1 197 . 4.653 73.437 48.985 1 9.05 ? CE1 PHE A 197 1 -ATOM 1497 C CE2 . PHE A 1 197 . 6.683 74.095 50.142 1 5.01 ? CE2 PHE A 197 1 -ATOM 1498 C CZ . PHE A 1 197 . 5.4 74.412 49.668 1 4.37 ? CZ PHE A 197 1 -ATOM 1499 N N . GLY A 1 198 . 6.169 68.335 51.407 1 17.51 ? N GLY A 198 1 -ATOM 1500 C CA . GLY A 1 198 . 5.44 68.026 52.652 1 14.35 ? CA GLY A 198 1 -ATOM 1501 C C . GLY A 1 198 . 6.441 67.752 53.757 1 12.67 ? C GLY A 198 1 -ATOM 1502 O O . GLY A 1 198 . 7.595 67.431 53.481 1 7.51 ? O GLY A 198 1 -ATOM 1503 N N . GLU A 1 199 . 6.002 67.858 55.024 1 13.87 ? N GLU A 199 1 -ATOM 1504 C CA . GLU A 1 199 . 6.901 67.638 56.174 1 11.81 ? CA GLU A 199 1 -ATOM 1505 C C . GLU A 1 199 . 6.361 66.609 57.156 1 12.2 ? C GLU A 199 1 -ATOM 1506 O O . GLU A 1 199 . 5.153 66.503 57.326 1 13.4 ? O GLU A 199 1 -ATOM 1507 C CB . GLU A 1 199 . 7.09 68.986 56.878 1 11 ? CB GLU A 199 1 -ATOM 1508 C CG . GLU A 1 199 . 8.063 69.009 58.069 1 16 ? CG GLU A 199 1 -ATOM 1509 C CD . GLU A 1 199 . 7.362 68.769 59.401 1 15.2 ? CD GLU A 199 1 -ATOM 1510 O OE1 . GLU A 1 199 . 6.154 68.632 59.412 1 17.52 ? OE1 GLU A 199 1 -ATOM 1511 O OE2 . GLU A 1 199 . 8.012 68.711 60.431 1 11.72 ? OE2 GLU A 199 1 -ATOM 1512 N N . SER A 1 200 . 7.242 65.857 57.833 1 11.87 ? N SER A 200 1 -ATOM 1513 C CA . SER A 1 200 . 6.778 64.855 58.793 1 12.54 ? CA SER A 200 1 -ATOM 1514 C C . SER A 1 200 . 5.938 63.86 58.001 1 12.69 ? C SER A 200 1 -ATOM 1515 O O . SER A 1 200 . 6.403 63.292 57.025 1 15.4 ? O SER A 200 1 -ATOM 1516 C CB . SER A 1 200 . 6.151 65.519 60.05 1 13.3 ? CB SER A 200 1 -ATOM 1517 O OG . SER A 1 200 . 5.634 64.653 61.093 1 21.59 ? OG SER A 200 1 -ATOM 1518 N N . ALA A 1 201 . 4.675 63.68 58.393 1 11.48 ? N ALA A 201 1 -ATOM 1519 C CA . ALA A 1 201 . 3.821 62.741 57.676 1 10.52 ? CA ALA A 201 1 -ATOM 1520 C C . ALA A 1 201 . 3.596 63.203 56.25 1 13.66 ? C ALA A 201 1 -ATOM 1521 O O . ALA A 1 201 . 3.349 62.402 55.369 1 17.28 ? O ALA A 201 1 -ATOM 1522 C CB . ALA A 1 201 . 2.477 62.545 58.374 1 10.33 ? CB ALA A 201 1 -ATOM 1523 N N . GLY A 1 202 . 3.704 64.518 56.03 1 12.24 ? N GLY A 202 1 -ATOM 1524 C CA . GLY A 1 202 . 3.539 65.025 54.675 1 12.84 ? CA GLY A 202 1 -ATOM 1525 C C . GLY A 1 202 . 4.71 64.547 53.834 1 14.34 ? C GLY A 202 1 -ATOM 1526 O O . GLY A 1 202 . 4.568 64 52.754 1 18.23 ? O GLY A 202 1 -ATOM 1527 N N . GLY A 1 203 . 5.918 64.706 54.373 1 9.95 ? N GLY A 203 1 -ATOM 1528 C CA . GLY A 1 203 . 7.081 64.248 53.628 1 6.16 ? CA GLY A 203 1 -ATOM 1529 C C . GLY A 1 203 . 7.043 62.74 53.414 1 3.97 ? C GLY A 203 1 -ATOM 1530 O O . GLY A 1 203 . 7.506 62.188 52.429 1 7.91 ? O GLY A 203 1 -ATOM 1531 N N . ALA A 1 204 . 6.469 62.029 54.374 1 4.18 ? N ALA A 204 1 -ATOM 1532 C CA . ALA A 1 204 . 6.396 60.587 54.173 1 5.94 ? CA ALA A 204 1 -ATOM 1533 C C . ALA A 1 204 . 5.338 60.269 53.101 1 6.82 ? C ALA A 204 1 -ATOM 1534 O O . ALA A 1 204 . 5.487 59.338 52.319 1 10.15 ? O ALA A 204 1 -ATOM 1535 C CB . ALA A 1 204 . 6.106 59.837 55.485 1 4.71 ? CB ALA A 204 1 -ATOM 1536 N N . SER A 1 205 . 4.261 61.055 53.073 1 5.33 ? N SER A 205 1 -ATOM 1537 C CA . SER A 1 205 . 3.218 60.858 52.077 1 5.86 ? CA SER A 205 1 -ATOM 1538 C C . SER A 1 205 . 3.78 61.076 50.653 1 8.2 ? C SER A 205 1 -ATOM 1539 O O . SER A 1 205 . 3.547 60.32 49.715 1 8.05 ? O SER A 205 1 -ATOM 1540 C CB . SER A 1 205 . 2.075 61.857 52.346 1 7.72 ? CB SER A 205 1 -ATOM 1541 O OG . SER A 1 205 . 1.365 61.451 53.513 1 5.9 ? OG SER A 205 1 -ATOM 1542 N N . VAL A 1 206 . 4.566 62.146 50.515 1 6.12 ? N VAL A 206 1 -ATOM 1543 C CA . VAL A 1 206 . 5.196 62.469 49.256 1 2 ? CA VAL A 206 1 -ATOM 1544 C C . VAL A 1 206 . 5.972 61.252 48.764 1 3.78 ? C VAL A 206 1 -ATOM 1545 O O . VAL A 1 206 . 5.787 60.752 47.665 1 11.42 ? O VAL A 206 1 -ATOM 1546 C CB . VAL A 1 206 . 6.055 63.713 49.507 1 2 ? CB VAL A 206 1 -ATOM 1547 C CG1 . VAL A 1 206 . 7.097 63.956 48.444 1 2 ? CG1 VAL A 206 1 -ATOM 1548 C CG2 . VAL A 1 206 . 5.182 64.976 49.697 1 2 ? CG2 VAL A 206 1 -ATOM 1549 N N . GLY A 1 207 . 6.842 60.733 49.604 1 4.92 ? N GLY A 207 1 -ATOM 1550 C CA . GLY A 1 207 . 7.56 59.553 49.153 1 5.92 ? CA GLY A 207 1 -ATOM 1551 C C . GLY A 1 207 . 6.625 58.386 48.855 1 8.28 ? C GLY A 207 1 -ATOM 1552 O O . GLY A 1 207 . 6.941 57.511 48.058 1 10.84 ? O GLY A 207 1 -ATOM 1553 N N . MET A 1 208 . 5.454 58.37 49.497 1 7.2 ? N MET A 208 1 -ATOM 1554 C CA . MET A 1 208 . 4.528 57.283 49.206 1 13.02 ? CA MET A 208 1 -ATOM 1555 C C . MET A 1 208 . 3.913 57.475 47.828 1 14.81 ? C MET A 208 1 -ATOM 1556 O O . MET A 1 208 . 3.509 56.511 47.199 1 18.28 ? O MET A 208 1 -ATOM 1557 C CB . MET A 1 208 . 3.466 57.097 50.302 1 12.68 ? CB MET A 208 1 -ATOM 1558 C CG . MET A 1 208 . 4.136 56.577 51.591 1 17.91 ? CG MET A 208 1 -ATOM 1559 S SD . MET A 1 208 . 3.052 56.711 53.03 1 20.21 ? SD MET A 208 1 -ATOM 1560 C CE . MET A 1 208 . 3.906 55.526 54.098 1 20.24 ? CE MET A 208 1 -ATOM 1561 N N . HIS A 1 209 . 3.848 58.718 47.34 1 14.66 ? N HIS A 209 1 -ATOM 1562 C CA . HIS A 1 209 . 3.291 58.947 45.996 1 11.19 ? CA HIS A 209 1 -ATOM 1563 C C . HIS A 1 209 . 4.358 58.572 44.978 1 11.42 ? C HIS A 209 1 -ATOM 1564 O O . HIS A 1 209 . 4.084 58.017 43.928 1 14.54 ? O HIS A 209 1 -ATOM 1565 C CB . HIS A 1 209 . 2.747 60.365 45.814 1 5.09 ? CB HIS A 209 1 -ATOM 1566 C CG . HIS A 1 209 . 1.485 60.551 46.643 1 10.19 ? CG HIS A 209 1 -ATOM 1567 N ND1 . HIS A 1 209 . 1.229 61.615 47.439 1 6.95 ? ND1 HIS A 209 1 -ATOM 1568 C CD2 . HIS A 1 209 . 0.35 59.703 46.712 1 11.14 ? CD2 HIS A 209 1 -ATOM 1569 C CE1 . HIS A 1 209 . -0.001 61.438 47.94 1 5.74 ? CE1 HIS A 209 1 -ATOM 1570 N NE2 . HIS A 1 209 . -0.557 60.293 47.518 1 9.38 ? NE2 HIS A 209 1 -ATOM 1571 N N . ILE A 1 210 . 5.61 58.86 45.305 1 6.53 ? N ILE A 210 1 -ATOM 1572 C CA . ILE A 1 210 . 6.673 58.44 44.411 1 3.94 ? CA ILE A 210 1 -ATOM 1573 C C . ILE A 1 210 . 6.668 56.913 44.266 1 5.37 ? C ILE A 210 1 -ATOM 1574 O O . ILE A 1 210 . 7.18 56.4 43.284 1 6.16 ? O ILE A 210 1 -ATOM 1575 C CB . ILE A 1 210 . 8.032 58.884 45.019 1 2 ? CB ILE A 210 1 -ATOM 1576 C CG1 . ILE A 1 210 . 8.188 60.403 44.963 1 2 ? CG1 ILE A 210 1 -ATOM 1577 C CG2 . ILE A 1 210 . 9.267 58.176 44.438 1 2 ? CG2 ILE A 210 1 -ATOM 1578 C CD1 . ILE A 1 210 . 9.641 60.86 45.13 1 2 ? CD1 ILE A 210 1 -ATOM 1579 N N . LEU A 1 211 . 6.136 56.196 45.27 1 9.23 ? N LEU A 211 1 -ATOM 1580 C CA . LEU A 1 211 . 6.13 54.723 45.227 1 11.06 ? CA LEU A 211 1 -ATOM 1581 C C . LEU A 1 211 . 4.86 54.134 44.636 1 10.95 ? C LEU A 211 1 -ATOM 1582 O O . LEU A 1 211 . 4.847 53.175 43.886 1 11.23 ? O LEU A 211 1 -ATOM 1583 C CB . LEU A 1 211 . 6.248 54.128 46.66 1 12.8 ? CB LEU A 211 1 -ATOM 1584 C CG . LEU A 1 211 . 7.587 54.369 47.402 1 13.52 ? CG LEU A 211 1 -ATOM 1585 C CD1 . LEU A 1 211 . 7.445 54.183 48.916 1 17.51 ? CD1 LEU A 211 1 -ATOM 1586 C CD2 . LEU A 1 211 . 8.665 53.413 46.916 1 12.1 ? CD2 LEU A 211 1 -ATOM 1587 N N . SER A 1 212 . 3.736 54.704 45.013 1 14.7 ? N SER A 212 1 -ATOM 1588 C CA . SER A 1 212 . 2.476 54.173 44.523 1 14.5 ? CA SER A 212 1 -ATOM 1589 C C . SER A 1 212 . 2.337 54.386 43.025 1 21.75 ? C SER A 212 1 -ATOM 1590 O O . SER A 1 212 . 2.259 55.534 42.568 1 21.93 ? O SER A 212 1 -ATOM 1591 C CB . SER A 1 212 . 1.355 54.934 45.211 1 15.12 ? CB SER A 212 1 -ATOM 1592 O OG . SER A 1 212 . 0.118 54.303 44.978 1 13.22 ? OG SER A 212 1 -ATOM 1593 N N . PRO A 1 213 . 2.192 53.264 42.271 1 23.23 ? N PRO A 213 1 -ATOM 1594 C CA . PRO A 1 213 . 1.945 53.349 40.829 1 21.02 ? CA PRO A 213 1 -ATOM 1595 C C . PRO A 1 213 . 0.849 54.321 40.459 1 19.13 ? C PRO A 213 1 -ATOM 1596 O O . PRO A 1 213 . 1.017 55.184 39.612 1 27.56 ? O PRO A 213 1 -ATOM 1597 C CB . PRO A 1 213 . 1.602 51.919 40.393 1 20.29 ? CB PRO A 213 1 -ATOM 1598 C CG . PRO A 1 213 . 2.09 51.014 41.535 1 28 ? CG PRO A 213 1 -ATOM 1599 C CD . PRO A 1 213 . 2.252 51.897 42.783 1 25.05 ? CD PRO A 213 1 -ATOM 1600 N N . GLY A 1 214 . -0.279 54.169 41.142 1 14.82 ? N GLY A 214 1 -ATOM 1601 C CA . GLY A 1 214 . -1.396 55.057 40.855 1 11.73 ? CA GLY A 214 1 -ATOM 1602 C C . GLY A 1 214 . -1.131 56.562 40.981 1 16.73 ? C GLY A 214 1 -ATOM 1603 O O . GLY A 1 214 . -1.838 57.366 40.392 1 18.79 ? O GLY A 214 1 -ATOM 1604 N N . SER A 1 215 . -0.12 56.979 41.746 1 17.16 ? N SER A 215 1 -ATOM 1605 C CA . SER A 1 215 . 0.068 58.425 41.839 1 16.69 ? CA SER A 215 1 -ATOM 1606 C C . SER A 1 215 . 1.252 58.958 41.067 1 16.13 ? C SER A 215 1 -ATOM 1607 O O . SER A 1 215 . 1.328 60.161 40.835 1 15.15 ? O SER A 215 1 -ATOM 1608 C CB . SER A 1 215 . 0.333 58.824 43.298 1 18.02 ? CB SER A 215 1 -ATOM 1609 O OG . SER A 1 215 . -0.78 58.428 44.069 1 16.1 ? OG SER A 215 1 -ATOM 1610 N N . ARG A 1 216 . 2.166 58.067 40.662 1 11.76 ? N ARG A 216 1 -ATOM 1611 C CA . ARG A 1 216 . 3.365 58.553 39.993 1 7.47 ? CA ARG A 216 1 -ATOM 1612 C C . ARG A 1 216 . 3.154 59.544 38.901 1 12.43 ? C ARG A 216 1 -ATOM 1613 O O . ARG A 1 216 . 4.003 60.381 38.658 1 13.54 ? O ARG A 216 1 -ATOM 1614 C CB . ARG A 1 216 . 4.172 57.414 39.365 1 3.07 ? CB ARG A 216 1 -ATOM 1615 C CG . ARG A 1 216 . 4.511 56.315 40.358 1 4.23 ? CG ARG A 216 1 -ATOM 1616 C CD . ARG A 1 216 . 5.389 55.216 39.79 1 3.04 ? CD ARG A 216 1 -ATOM 1617 N NE . ARG A 1 216 . 5.359 54.129 40.725 1 5.69 ? NE ARG A 216 1 -ATOM 1618 C CZ . ARG A 1 216 . 5.964 52.959 40.55 1 11.34 ? CZ ARG A 216 1 -ATOM 1619 N NH1 . ARG A 1 216 . 6.79 52.725 39.536 1 14.95 ? NH1 ARG A 216 1 -ATOM 1620 N NH2 . ARG A 1 216 . 5.701 52.009 41.433 1 13.59 ? NH2 ARG A 216 1 -ATOM 1621 N N . ASP A 1 217 . 2 59.449 38.236 1 15 ? N ASP A 217 1 -ATOM 1622 C CA . ASP A 1 217 . 1.829 60.353 37.105 1 19.24 ? CA ASP A 217 1 -ATOM 1623 C C . ASP A 1 217 . 1.248 61.74 37.367 1 18.74 ? C ASP A 217 1 -ATOM 1624 O O . ASP A 1 217 . 1.229 62.518 36.421 1 21.91 ? O ASP A 217 1 -ATOM 1625 C CB . ASP A 1 217 . 0.959 59.675 36.016 1 23.06 ? CB ASP A 217 1 -ATOM 1626 C CG . ASP A 1 217 . 1.414 58.278 35.549 1 25.62 ? CG ASP A 217 1 -ATOM 1627 O OD1 . ASP A 1 217 . 2.548 57.88 35.829 1 22.78 ? OD1 ASP A 217 1 -ATOM 1628 O OD2 . ASP A 1 217 . 0.623 57.592 34.893 1 22.82 ? OD2 ASP A 217 1 -ATOM 1629 N N . LEU A 1 218 . 0.777 62.06 38.588 1 16.28 ? N LEU A 218 1 -ATOM 1630 C CA . LEU A 1 218 . 0.167 63.379 38.791 1 7.33 ? CA LEU A 218 1 -ATOM 1631 C C . LEU A 1 218 . 1.103 64.435 39.32 1 6.79 ? C LEU A 218 1 -ATOM 1632 O O . LEU A 1 218 . 0.637 65.48 39.781 1 8.66 ? O LEU A 218 1 -ATOM 1633 C CB . LEU A 1 218 . -1.065 63.315 39.71 1 4.41 ? CB LEU A 218 1 -ATOM 1634 C CG . LEU A 1 218 . -2.056 62.222 39.286 1 5.15 ? CG LEU A 218 1 -ATOM 1635 C CD1 . LEU A 1 218 . -1.925 61.003 40.179 1 12.78 ? CD1 LEU A 218 1 -ATOM 1636 C CD2 . LEU A 1 218 . -3.501 62.692 39.304 1 9.62 ? CD2 LEU A 218 1 -ATOM 1637 N N . PHE A 1 219 . 2.408 64.162 39.3 1 2 ? N PHE A 219 1 -ATOM 1638 C CA . PHE A 1 219 . 3.315 65.184 39.796 1 3.78 ? CA PHE A 219 1 -ATOM 1639 C C . PHE A 1 219 . 4.652 64.96 39.09 1 6.87 ? C PHE A 219 1 -ATOM 1640 O O . PHE A 1 219 . 4.892 63.889 38.535 1 2 ? O PHE A 219 1 -ATOM 1641 C CB . PHE A 1 219 . 3.368 65.195 41.347 1 3.53 ? CB PHE A 219 1 -ATOM 1642 C CG . PHE A 1 219 . 3.986 63.928 41.898 1 2 ? CG PHE A 219 1 -ATOM 1643 C CD1 . PHE A 1 219 . 3.212 62.771 42.06 1 2 ? CD1 PHE A 219 1 -ATOM 1644 C CD2 . PHE A 1 219 . 5.364 63.892 42.168 1 2 ? CD2 PHE A 219 1 -ATOM 1645 C CE1 . PHE A 1 219 . 3.828 61.581 42.454 1 2 ? CE1 PHE A 219 1 -ATOM 1646 C CE2 . PHE A 1 219 . 5.977 62.707 42.564 1 2 ? CE2 PHE A 219 1 -ATOM 1647 C CZ . PHE A 1 219 . 5.206 61.55 42.701 1 2 ? CZ PHE A 219 1 -ATOM 1648 N N . ARG A 1 220 . 5.515 65.991 39.12 1 6.39 ? N ARG A 220 1 -ATOM 1649 C CA . ARG A 1 220 . 6.808 65.884 38.44 1 9.97 ? CA ARG A 220 1 -ATOM 1650 C C . ARG A 1 220 . 7.912 65.556 39.397 1 14.43 ? C ARG A 220 1 -ATOM 1651 O O . ARG A 1 220 . 8.466 64.473 39.36 1 18.16 ? O ARG A 220 1 -ATOM 1652 C CB . ARG A 1 220 . 7.108 67.173 37.64 1 12.04 ? CB ARG A 220 1 -ATOM 1653 C CG . ARG A 1 220 . 8.271 67.027 36.635 1 15.91 ? CG ARG A 220 1 -ATOM 1654 C CD . ARG A 1 220 . 8 67.797 35.337 1 19.43 ? CD ARG A 220 1 -ATOM 1655 N NE . ARG A 1 220 . 9.148 67.726 34.445 1 22.8 ? NE ARG A 220 1 -ATOM 1656 C CZ . ARG A 1 220 . 9.27 68.564 33.4 1 22.42 ? CZ ARG A 220 1 -ATOM 1657 N NH1 . ARG A 1 220 . 8.375 69.516 33.153 1 20.61 ? NH1 ARG A 220 1 -ATOM 1658 N NH2 . ARG A 1 220 . 10.321 68.455 32.605 1 25.46 ? NH2 ARG A 220 1 -ATOM 1659 N N . ARG A 1 221 . 8.195 66.527 40.276 1 17.89 ? N ARG A 221 1 -ATOM 1660 C CA . ARG A 1 221 . 9.258 66.383 41.266 1 17.22 ? CA ARG A 221 1 -ATOM 1661 C C . ARG A 1 221 . 8.644 66.313 42.658 1 17.46 ? C ARG A 221 1 -ATOM 1662 O O . ARG A 1 221 . 7.445 66.512 42.819 1 17.58 ? O ARG A 221 1 -ATOM 1663 C CB . ARG A 1 221 . 10.161 67.625 41.216 1 19.05 ? CB ARG A 221 1 -ATOM 1664 C CG . ARG A 1 221 . 10.647 68.028 39.816 1 16.37 ? CG ARG A 221 1 -ATOM 1665 C CD . ARG A 1 221 . 11.06 69.518 39.785 1 28.68 ? CD ARG A 221 1 -ATOM 1666 N NE . ARG A 1 221 . 10.931 70.103 38.46 1 33.55 ? NE ARG A 221 1 -ATOM 1667 C CZ . ARG A 1 221 . 11.679 69.665 37.455 1 35.29 ? CZ ARG A 221 1 -ATOM 1668 N NH1 . ARG A 1 221 . 12.631 68.772 37.692 1 34.37 ? NH1 ARG A 221 1 -ATOM 1669 N NH2 . ARG A 1 221 . 11.456 70.112 36.218 1 36.84 ? NH2 ARG A 221 1 -ATOM 1670 N N . ALA A 1 222 . 9.486 66.088 43.675 1 15.7 ? N ALA A 222 1 -ATOM 1671 C CA . ALA A 1 222 . 8.963 66.034 45.036 1 13.29 ? CA ALA A 222 1 -ATOM 1672 C C . ALA A 1 222 . 10.009 66.556 46.017 1 13.23 ? C ALA A 222 1 -ATOM 1673 O O . ALA A 1 222 . 11.2 66.445 45.737 1 14.05 ? O ALA A 222 1 -ATOM 1674 C CB . ALA A 1 222 . 8.669 64.583 45.397 1 9.62 ? CB ALA A 222 1 -ATOM 1675 N N . ILE A 1 223 . 9.543 67.114 47.149 1 13.4 ? N ILE A 223 1 -ATOM 1676 C CA . ILE A 1 223 . 10.397 67.622 48.233 1 11.2 ? CA ILE A 223 1 -ATOM 1677 C C . ILE A 1 223 . 9.9 66.909 49.494 1 11.06 ? C ILE A 223 1 -ATOM 1678 O O . ILE A 1 223 . 8.696 66.894 49.755 1 9.43 ? O ILE A 223 1 -ATOM 1679 C CB . ILE A 1 223 . 10.267 69.139 48.446 1 7.01 ? CB ILE A 223 1 -ATOM 1680 C CG1 . ILE A 1 223 . 10.63 69.951 47.196 1 8.53 ? CG1 ILE A 223 1 -ATOM 1681 C CG2 . ILE A 1 223 . 11.073 69.602 49.656 1 6.83 ? CG2 ILE A 223 1 -ATOM 1682 C CD1 . ILE A 1 223 . 10.706 71.477 47.4 1 2 ? CD1 ILE A 223 1 -ATOM 1683 N N . LEU A 1 224 . 10.832 66.364 50.282 1 10.82 ? N LEU A 224 1 -ATOM 1684 C CA . LEU A 1 224 . 10.454 65.636 51.504 1 10.14 ? CA LEU A 224 1 -ATOM 1685 C C . LEU A 1 224 . 11.186 66.286 52.662 1 7.47 ? C LEU A 224 1 -ATOM 1686 O O . LEU A 1 224 . 12.407 66.353 52.657 1 8.76 ? O LEU A 224 1 -ATOM 1687 C CB . LEU A 1 224 . 10.856 64.138 51.432 1 9.75 ? CB LEU A 224 1 -ATOM 1688 C CG . LEU A 1 224 . 10.162 63.329 50.311 1 4.79 ? CG LEU A 224 1 -ATOM 1689 C CD1 . LEU A 1 224 . 10.817 63.512 48.939 1 5.18 ? CD1 LEU A 224 1 -ATOM 1690 C CD2 . LEU A 1 224 . 10.126 61.833 50.641 1 2 ? CD2 LEU A 224 1 -ATOM 1691 N N . GLN A 1 225 . 10.441 66.772 53.661 1 6.25 ? N GLN A 225 1 -ATOM 1692 C CA . GLN A 1 225 . 11.071 67.435 54.809 1 5.17 ? CA GLN A 225 1 -ATOM 1693 C C . GLN A 1 225 . 10.84 66.6 56.068 1 5.65 ? C GLN A 225 1 -ATOM 1694 O O . GLN A 1 225 . 9.703 66.387 56.488 1 4.29 ? O GLN A 225 1 -ATOM 1695 C CB . GLN A 1 225 . 10.491 68.867 54.981 1 6.19 ? CB GLN A 225 1 -ATOM 1696 C CG . GLN A 1 225 . 10.039 69.499 53.638 1 9.69 ? CG GLN A 225 1 -ATOM 1697 C CD . GLN A 1 225 . 9.983 71.001 53.631 1 7.42 ? CD GLN A 225 1 -ATOM 1698 O OE1 . GLN A 1 225 . 8.963 71.66 53.579 1 11.52 ? OE1 GLN A 225 1 -ATOM 1699 N NE2 . GLN A 1 225 . 11.165 71.555 53.655 1 14.31 ? NE2 GLN A 225 1 -ATOM 1700 N N . SER A 1 226 . 11.935 66.119 56.667 1 7.22 ? N SER A 226 1 -ATOM 1701 C CA . SER A 1 226 . 11.87 65.309 57.882 1 7.97 ? CA SER A 226 1 -ATOM 1702 C C . SER A 1 226 . 10.855 64.187 57.79 1 9.27 ? C SER A 226 1 -ATOM 1703 O O . SER A 1 226 . 10.069 63.996 58.704 1 14.08 ? O SER A 226 1 -ATOM 1704 C CB . SER A 1 226 . 11.509 66.207 59.087 1 9.13 ? CB SER A 226 1 -ATOM 1705 O OG . SER A 1 226 . 12.345 67.38 59.155 1 17.16 ? OG SER A 226 1 -ATOM 1706 N N . GLY A 1 227 . 10.841 63.453 56.686 1 9.93 ? N GLY A 227 1 -ATOM 1707 C CA . GLY A 1 227 . 9.866 62.365 56.553 1 10 ? CA GLY A 227 1 -ATOM 1708 C C . GLY A 1 227 . 10.398 61.422 55.485 1 9.65 ? C GLY A 227 1 -ATOM 1709 O O . GLY A 1 227 . 11.241 61.798 54.678 1 9.92 ? O GLY A 227 1 -ATOM 1710 N N . SER A 1 228 . 9.934 60.186 55.475 1 4.61 ? N SER A 228 1 -ATOM 1711 C CA . SER A 1 228 . 10.456 59.283 54.477 1 4.86 ? CA SER A 228 1 -ATOM 1712 C C . SER A 1 228 . 9.499 58.143 54.546 1 8.96 ? C SER A 228 1 -ATOM 1713 O O . SER A 1 228 . 9.098 57.836 55.653 1 14.21 ? O SER A 228 1 -ATOM 1714 C CB . SER A 1 228 . 11.86 58.847 54.901 1 2.4 ? CB SER A 228 1 -ATOM 1715 O OG . SER A 1 228 . 12.576 58.342 53.834 1 10.54 ? OG SER A 228 1 -ATOM 1716 N N . PRO A 1 229 . 9.076 57.527 53.426 1 11.99 ? N PRO A 229 1 -ATOM 1717 C CA . PRO A 1 229 . 7.931 56.615 53.484 1 9.6 ? CA PRO A 229 1 -ATOM 1718 C C . PRO A 1 229 . 8.277 55.397 54.298 1 7.79 ? C PRO A 229 1 -ATOM 1719 O O . PRO A 1 229 . 7.446 54.725 54.874 1 10.9 ? O PRO A 229 1 -ATOM 1720 C CB . PRO A 1 229 . 7.694 56.249 52.014 1 10.02 ? CB PRO A 229 1 -ATOM 1721 C CG . PRO A 1 229 . 9.027 56.508 51.286 1 11.62 ? CG PRO A 229 1 -ATOM 1722 C CD . PRO A 1 229 . 9.709 57.613 52.107 1 11.57 ? CD PRO A 229 1 -ATOM 1723 N N . ASN A 1 230 . 9.573 55.114 54.322 1 7.25 ? N ASN A 230 1 -ATOM 1724 C CA . ASN A 1 230 . 10.101 53.963 55.035 1 6.94 ? CA ASN A 230 1 -ATOM 1725 C C . ASN A 1 230 . 10.359 54.238 56.512 1 9.37 ? C ASN A 230 1 -ATOM 1726 O O . ASN A 1 230 . 10.986 53.433 57.193 1 15.47 ? O ASN A 230 1 -ATOM 1727 C CB . ASN A 1 230 . 11.407 53.456 54.369 1 2 ? CB ASN A 230 1 -ATOM 1728 C CG . ASN A 1 230 . 12.516 54.501 54.448 1 6.77 ? CG ASN A 230 1 -ATOM 1729 O OD1 . ASN A 1 230 . 12.303 55.69 54.241 1 2 ? OD1 ASN A 230 1 -ATOM 1730 N ND2 . ASN A 1 230 . 13.72 54.047 54.77 1 11.81 ? ND2 ASN A 230 1 -ATOM 1731 N N . CYS A 1 231 . 9.937 55.401 57.009 1 7.38 ? N CYS A 231 1 -ATOM 1732 C CA . CYS A 1 231 . 10.172 55.654 58.423 1 5.55 ? CA CYS A 231 1 -ATOM 1733 C C . CYS A 1 231 . 9.274 54.707 59.206 1 7.9 ? C CYS A 231 1 -ATOM 1734 O O . CYS A 1 231 . 8.155 54.482 58.758 1 6.82 ? O CYS A 231 1 -ATOM 1735 C CB . CYS A 1 231 . 9.735 57.072 58.763 1 2.72 ? CB CYS A 231 1 -ATOM 1736 S SG . CYS A 1 231 . 10.98 58.262 58.302 1 16.21 ? SG CYS A 231 1 -ATOM 1737 N N . PRO A 1 232 . 9.742 54.211 60.387 1 6.94 ? N PRO A 232 1 -ATOM 1738 C CA . PRO A 1 232 . 9.078 53.113 61.078 1 6.07 ? CA PRO A 232 1 -ATOM 1739 C C . PRO A 1 232 . 7.696 53.428 61.555 1 10.04 ? C PRO A 232 1 -ATOM 1740 O O . PRO A 1 232 . 6.866 52.567 61.792 1 14.91 ? O PRO A 232 1 -ATOM 1741 C CB . PRO A 1 232 . 9.964 52.84 62.296 1 3.63 ? CB PRO A 232 1 -ATOM 1742 C CG . PRO A 1 232 . 10.918 54.028 62.451 1 2 ? CG PRO A 232 1 -ATOM 1743 C CD . PRO A 1 232 . 10.904 54.738 61.101 1 6.31 ? CD PRO A 232 1 -ATOM 1744 N N . TRP A 1 233 . 7.475 54.719 61.733 1 10.65 ? N TRP A 233 1 -ATOM 1745 C CA . TRP A 1 233 . 6.176 55.128 62.214 1 10.28 ? CA TRP A 233 1 -ATOM 1746 C C . TRP A 1 233 . 5.197 55.439 61.106 1 12.09 ? C TRP A 233 1 -ATOM 1747 O O . TRP A 1 233 . 4.084 55.868 61.389 1 15.11 ? O TRP A 233 1 -ATOM 1748 C CB . TRP A 1 233 . 6.341 56.372 63.088 1 7.96 ? CB TRP A 233 1 -ATOM 1749 C CG . TRP A 1 233 . 7.222 57.386 62.399 1 7 ? CG TRP A 233 1 -ATOM 1750 C CD1 . TRP A 1 233 . 8.621 57.518 62.583 1 9.69 ? CD1 TRP A 233 1 -ATOM 1751 C CD2 . TRP A 1 233 . 6.822 58.383 61.495 1 5.75 ? CD2 TRP A 233 1 -ATOM 1752 N NE1 . TRP A 1 233 . 9.099 58.558 61.845 1 9.36 ? NE1 TRP A 233 1 -ATOM 1753 C CE2 . TRP A 1 233 . 8.057 59.138 61.158 1 6.32 ? CE2 TRP A 233 1 -ATOM 1754 C CE3 . TRP A 1 233 . 5.602 58.746 60.911 1 4.33 ? CE3 TRP A 233 1 -ATOM 1755 C CZ2 . TRP A 1 233 . 7.987 60.215 60.272 1 2 ? CZ2 TRP A 233 1 -ATOM 1756 C CZ3 . TRP A 1 233 . 5.565 59.831 60.018 1 4.01 ? CZ3 TRP A 233 1 -ATOM 1757 C CH2 . TRP A 1 233 . 6.738 60.552 59.709 1 5.7 ? CH2 TRP A 233 1 -ATOM 1758 N N . ALA A 1 234 . 5.603 55.263 59.837 1 10.4 ? N ALA A 234 1 -ATOM 1759 C CA . ALA A 1 234 . 4.664 55.613 58.762 1 10.23 ? CA ALA A 234 1 -ATOM 1760 C C . ALA A 1 234 . 3.829 54.471 58.193 1 9.2 ? C ALA A 234 1 -ATOM 1761 O O . ALA A 1 234 . 2.994 54.737 57.345 1 8.66 ? O ALA A 234 1 -ATOM 1762 C CB . ALA A 1 234 . 5.389 56.299 57.601 1 9.92 ? CB ALA A 234 1 -ATOM 1763 N N . SER A 1 235 . 4.009 53.214 58.584 1 9.85 ? N SER A 235 1 -ATOM 1764 C CA . SER A 1 235 . 3.125 52.24 57.963 1 8.55 ? CA SER A 235 1 -ATOM 1765 C C . SER A 1 235 . 2.925 51.041 58.838 1 11.23 ? C SER A 235 1 -ATOM 1766 O O . SER A 1 235 . 3.702 50.831 59.755 1 14.24 ? O SER A 235 1 -ATOM 1767 C CB . SER A 1 235 . 3.689 51.813 56.616 1 9.56 ? CB SER A 235 1 -ATOM 1768 O OG . SER A 1 235 . 5.031 51.343 56.756 1 11.78 ? OG SER A 235 1 -ATOM 1769 N N . VAL A 1 236 . 1.875 50.263 58.594 1 12.67 ? N VAL A 236 1 -ATOM 1770 C CA . VAL A 1 236 . 1.665 49.054 59.377 1 12.89 ? CA VAL A 236 1 -ATOM 1771 C C . VAL A 1 236 . 1.203 47.98 58.41 1 14.64 ? C VAL A 236 1 -ATOM 1772 O O . VAL A 1 236 . 0.77 48.25 57.299 1 18.52 ? O VAL A 236 1 -ATOM 1773 C CB . VAL A 1 236 . 0.694 49.23 60.562 1 13.36 ? CB VAL A 236 1 -ATOM 1774 C CG1 . VAL A 1 236 . 1.252 50.234 61.568 1 9.32 ? CG1 VAL A 236 1 -ATOM 1775 C CG2 . VAL A 1 236 . -0.759 49.575 60.164 1 12.44 ? CG2 VAL A 236 1 -ATOM 1776 N N . SER A 1 237 . 1.28 46.733 58.829 1 11.99 ? N SER A 237 1 -ATOM 1777 C CA . SER A 1 237 . 0.841 45.682 57.934 1 14.87 ? CA SER A 237 1 -ATOM 1778 C C . SER A 1 237 . -0.664 45.589 58.008 1 16.44 ? C SER A 237 1 -ATOM 1779 O O . SER A 1 237 . -1.283 46.134 58.916 1 17.84 ? O SER A 237 1 -ATOM 1780 C CB . SER A 1 237 . 1.473 44.359 58.355 1 20.46 ? CB SER A 237 1 -ATOM 1781 O OG . SER A 1 237 . 1.233 44.181 59.749 1 31.59 ? OG SER A 237 1 -ATOM 1782 N N . VAL A 1 238 . -1.261 44.849 57.074 1 16.3 ? N VAL A 238 1 -ATOM 1783 C CA . VAL A 1 238 . -2.705 44.76 57.161 1 17.07 ? CA VAL A 238 1 -ATOM 1784 C C . VAL A 1 238 . -3.148 44.105 58.431 1 17.3 ? C VAL A 238 1 -ATOM 1785 O O . VAL A 1 238 . -4.183 44.417 59.005 1 20.67 ? O VAL A 238 1 -ATOM 1786 C CB . VAL A 1 238 . -3.267 44.082 55.922 1 13.86 ? CB VAL A 238 1 -ATOM 1787 C CG1 . VAL A 1 238 . -3.019 44.988 54.718 1 21.79 ? CG1 VAL A 238 1 -ATOM 1788 C CG2 . VAL A 1 238 . -2.649 42.709 55.657 1 20.71 ? CG2 VAL A 238 1 -ATOM 1789 N N . ALA A 1 239 . -2.299 43.184 58.874 1 16.88 ? N ALA A 239 1 -ATOM 1790 C CA . ALA A 1 239 . -2.651 42.491 60.097 1 19.71 ? CA ALA A 239 1 -ATOM 1791 C C . ALA A 1 239 . -2.739 43.451 61.258 1 22.34 ? C ALA A 239 1 -ATOM 1792 O O . ALA A 1 239 . -3.704 43.48 62.01 1 24.99 ? O ALA A 239 1 -ATOM 1793 C CB . ALA A 1 239 . -1.629 41.4 60.402 1 20.58 ? CB ALA A 239 1 -ATOM 1794 N N . GLU A 1 240 . -1.687 44.271 61.369 1 21.45 ? N GLU A 240 1 -ATOM 1795 C CA . GLU A 1 240 . -1.68 45.231 62.462 1 20.5 ? CA GLU A 240 1 -ATOM 1796 C C . GLU A 1 240 . -2.828 46.188 62.386 1 19.54 ? C GLU A 240 1 -ATOM 1797 O O . GLU A 1 240 . -3.458 46.502 63.378 1 22.06 ? O GLU A 240 1 -ATOM 1798 C CB . GLU A 1 240 . -0.36 46.019 62.554 1 23.57 ? CB GLU A 240 1 -ATOM 1799 C CG . GLU A 1 240 . 0.418 45.679 63.843 1 30.3 ? CG GLU A 240 1 -ATOM 1800 C CD . GLU A 1 240 . -0.134 46.401 65.072 1 27.07 ? CD GLU A 240 1 -ATOM 1801 O OE1 . GLU A 1 240 . -1.308 46.735 65.099 1 26.76 ? OE1 GLU A 240 1 -ATOM 1802 O OE2 . GLU A 1 240 . 0.622 46.643 65.998 1 28.68 ? OE2 GLU A 240 1 -ATOM 1803 N N . GLY A 1 241 . -3.095 46.672 61.187 1 19.6 ? N GLY A 241 1 -ATOM 1804 C CA . GLY A 1 241 . -4.201 47.607 61.081 1 17.71 ? CA GLY A 241 1 -ATOM 1805 C C . GLY A 1 241 . -5.484 46.963 61.526 1 16.81 ? C GLY A 241 1 -ATOM 1806 O O . GLY A 1 241 . -6.326 47.575 62.165 1 17.07 ? O GLY A 241 1 -ATOM 1807 N N . ARG A 1 242 . -5.615 45.674 61.211 1 18.59 ? N ARG A 242 1 -ATOM 1808 C CA . ARG A 1 242 . -6.839 45.009 61.63 1 21.59 ? CA ARG A 242 1 -ATOM 1809 C C . ARG A 1 242 . -6.91 44.993 63.144 1 22.77 ? C ARG A 242 1 -ATOM 1810 O O . ARG A 1 242 . -7.902 45.334 63.782 1 24.72 ? O ARG A 242 1 -ATOM 1811 C CB . ARG A 1 242 . -6.885 43.591 61.054 1 20.14 ? CB ARG A 242 1 -ATOM 1812 C CG . ARG A 1 242 . -8.24 42.915 61.291 1 27.41 ? CG ARG A 242 1 -ATOM 1813 C CD . ARG A 1 242 . -8.448 41.677 60.402 1 32.04 ? CD ARG A 242 1 -ATOM 1814 N NE . ARG A 1 242 . -8.83 42.067 59.05 1 38.93 ? NE ARG A 242 1 -ATOM 1815 C CZ . ARG A 1 242 . -10.099 42.372 58.735 1 42.03 ? CZ ARG A 242 1 -ATOM 1816 N NH1 . ARG A 1 242 . -11.063 42.318 59.65 1 41.27 ? NH1 ARG A 242 1 -ATOM 1817 N NH2 . ARG A 1 242 . -10.4 42.719 57.484 1 48.9 ? NH2 ARG A 242 1 -ATOM 1818 N N . ARG A 1 243 . -5.778 44.583 63.707 1 21.15 ? N ARG A 243 1 -ATOM 1819 C CA . ARG A 1 243 . -5.649 44.508 65.137 1 19.68 ? CA ARG A 243 1 -ATOM 1820 C C . ARG A 1 243 . -6.085 45.804 65.811 1 20.18 ? C ARG A 243 1 -ATOM 1821 O O . ARG A 1 243 . -6.945 45.824 66.687 1 22.86 ? O ARG A 243 1 -ATOM 1822 C CB . ARG A 1 243 . -4.203 44.175 65.49 1 25.56 ? CB ARG A 243 1 -ATOM 1823 C CG . ARG A 1 243 . -4.106 43.158 66.634 1 39.24 ? CG ARG A 243 1 -ATOM 1824 C CD . ARG A 1 243 . -2.964 43.359 67.672 1 50.63 ? CD ARG A 243 1 -ATOM 1825 N NE . ARG A 1 243 . -2.293 44.668 67.651 1 52.71 ? NE ARG A 243 1 -ATOM 1826 C CZ . ARG A 1 243 . -2.663 45.754 68.373 1 54.11 ? CZ ARG A 243 1 -ATOM 1827 N NH1 . ARG A 1 243 . -3.759 45.769 69.142 1 53.49 ? NH1 ARG A 243 1 -ATOM 1828 N NH2 . ARG A 1 243 . -1.899 46.844 68.331 1 52.99 ? NH2 ARG A 243 1 -ATOM 1829 N N . ARG A 1 244 . -5.476 46.905 65.381 1 14.29 ? N ARG A 244 1 -ATOM 1830 C CA . ARG A 1 244 . -5.837 48.182 65.98 1 13.22 ? CA ARG A 244 1 -ATOM 1831 C C . ARG A 1 244 . -7.269 48.582 65.667 1 18.25 ? C ARG A 244 1 -ATOM 1832 O O . ARG A 1 244 . -7.947 49.238 66.45 1 22.33 ? O ARG A 244 1 -ATOM 1833 C CB . ARG A 1 244 . -4.915 49.321 65.515 1 8.69 ? CB ARG A 244 1 -ATOM 1834 C CG . ARG A 1 244 . -3.44 48.987 65.728 1 3.14 ? CG ARG A 244 1 -ATOM 1835 C CD . ARG A 1 244 . -2.461 50.102 65.352 1 2 ? CD ARG A 244 1 -ATOM 1836 N NE . ARG A 1 244 . -1.132 49.595 65.636 1 2 ? NE ARG A 244 1 -ATOM 1837 C CZ . ARG A 1 244 . -0.019 50.311 65.467 1 4.07 ? CZ ARG A 244 1 -ATOM 1838 N NH1 . ARG A 1 244 . -0.037 51.595 65.109 1 3.12 ? NH1 ARG A 244 1 -ATOM 1839 N NH2 . ARG A 1 244 . 1.148 49.721 65.664 1 3.18 ? NH2 ARG A 244 1 -ATOM 1840 N N . ALA A 1 245 . -7.734 48.17 64.494 1 19.86 ? N ALA A 245 1 -ATOM 1841 C CA . ALA A 1 245 . -9.075 48.541 64.107 1 18.78 ? CA ALA A 245 1 -ATOM 1842 C C . ALA A 1 245 . -10.095 47.949 65.022 1 20.84 ? C ALA A 245 1 -ATOM 1843 O O . ALA A 1 245 . -11.067 48.583 65.403 1 21.84 ? O ALA A 245 1 -ATOM 1844 C CB . ALA A 1 245 . -9.343 48.07 62.679 1 21.74 ? CB ALA A 245 1 -ATOM 1845 N N . VAL A 1 246 . -9.839 46.699 65.386 1 22.44 ? N VAL A 246 1 -ATOM 1846 C CA . VAL A 1 246 . -10.754 45.975 66.263 1 25.15 ? CA VAL A 246 1 -ATOM 1847 C C . VAL A 1 246 . -10.609 46.438 67.693 1 25.86 ? C VAL A 246 1 -ATOM 1848 O O . VAL A 1 246 . -11.558 46.574 68.455 1 26.45 ? O VAL A 246 1 -ATOM 1849 C CB . VAL A 1 246 . -10.494 44.47 66.075 1 23.34 ? CB VAL A 246 1 -ATOM 1850 C CG1 . VAL A 1 246 . -10.293 43.644 67.35 1 23.96 ? CG1 VAL A 246 1 -ATOM 1851 C CG2 . VAL A 1 246 . -11.575 43.874 65.168 1 29.5 ? CG2 VAL A 246 1 -ATOM 1852 N N . GLU A 1 247 . -9.357 46.691 68.063 1 28.05 ? N GLU A 247 1 -ATOM 1853 C CA . GLU A 1 247 . -9.075 47.151 69.409 1 23.29 ? CA GLU A 247 1 -ATOM 1854 C C . GLU A 1 247 . -9.797 48.444 69.684 1 19.74 ? C GLU A 247 1 -ATOM 1855 O O . GLU A 1 247 . -10.273 48.697 70.782 1 22.4 ? O GLU A 247 1 -ATOM 1856 C CB . GLU A 1 247 . -7.564 47.278 69.601 1 28.4 ? CB GLU A 247 1 -ATOM 1857 C CG . GLU A 1 247 . -7.144 47.345 71.067 1 40.09 ? CG GLU A 247 1 -ATOM 1858 C CD . GLU A 1 247 . -7.638 46.115 71.815 1 46.37 ? CD GLU A 247 1 -ATOM 1859 O OE1 . GLU A 1 247 . -7.74 45.049 71.196 1 45.76 ? OE1 GLU A 247 1 -ATOM 1860 O OE2 . GLU A 1 247 . -7.933 46.237 73.007 1 52.56 ? OE2 GLU A 247 1 -ATOM 1861 N N . LEU A 1 248 . -9.884 49.267 68.644 1 17.77 ? N LEU A 248 1 -ATOM 1862 C CA . LEU A 1 248 . -10.612 50.516 68.796 1 16.07 ? CA LEU A 248 1 -ATOM 1863 C C . LEU A 1 248 . -12.057 50.175 69.038 1 16.1 ? C LEU A 248 1 -ATOM 1864 O O . LEU A 1 248 . -12.733 50.697 69.906 1 18.19 ? O LEU A 248 1 -ATOM 1865 C CB . LEU A 1 248 . -10.54 51.368 67.524 1 13.23 ? CB LEU A 248 1 -ATOM 1866 C CG . LEU A 1 248 . -11.058 52.795 67.764 1 12.13 ? CG LEU A 248 1 -ATOM 1867 C CD1 . LEU A 1 248 . -10.051 53.618 68.579 1 21.34 ? CD1 LEU A 248 1 -ATOM 1868 C CD2 . LEU A 1 248 . -11.36 53.513 66.456 1 10.06 ? CD2 LEU A 248 1 -ATOM 1869 N N . GLY A 1 249 . -12.517 49.22 68.249 1 17.29 ? N GLY A 249 1 -ATOM 1870 C CA . GLY A 1 249 . -13.888 48.784 68.363 1 18.58 ? CA GLY A 249 1 -ATOM 1871 C C . GLY A 1 249 . -14.254 48.364 69.75 1 21.46 ? C GLY A 249 1 -ATOM 1872 O O . GLY A 1 249 . -15.311 48.718 70.259 1 19.7 ? O GLY A 249 1 -ATOM 1873 N N . ARG A 1 250 . -13.353 47.612 70.389 1 24.6 ? N ARG A 250 1 -ATOM 1874 C CA . ARG A 1 250 . -13.712 47.195 71.734 1 29.78 ? CA ARG A 250 1 -ATOM 1875 C C . ARG A 1 250 . -13.672 48.348 72.707 1 28.84 ? C ARG A 250 1 -ATOM 1876 O O . ARG A 1 250 . -14.412 48.351 73.672 1 32.85 ? O ARG A 250 1 -ATOM 1877 C CB . ARG A 1 250 . -13 45.921 72.197 1 31.65 ? CB ARG A 250 1 -ATOM 1878 C CG . ARG A 1 250 . -11.564 46.095 72.694 1 38.32 ? CG ARG A 250 1 -ATOM 1879 C CD . ARG A 1 250 . -10.716 44.826 72.51 1 42.1 ? CD ARG A 250 1 -ATOM 1880 N NE . ARG A 1 250 . -11.511 43.603 72.529 1 47.16 ? NE ARG A 250 1 -ATOM 1881 C CZ . ARG A 1 250 . -11.06 42.488 71.919 1 52.25 ? CZ ARG A 250 1 -ATOM 1882 N NH1 . ARG A 1 250 . -9.846 42.455 71.36 1 51.05 ? NH1 ARG A 250 1 -ATOM 1883 N NH2 . ARG A 1 250 . -11.833 41.398 71.868 1 54.19 ? NH2 ARG A 250 1 -ATOM 1884 N N . ASN A 1 251 . -12.838 49.354 72.455 1 27.17 ? N ASN A 251 1 -ATOM 1885 C CA . ASN A 1 251 . -12.85 50.482 73.4 1 27.75 ? CA ASN A 251 1 -ATOM 1886 C C . ASN A 1 251 . -14.185 51.219 73.329 1 24.12 ? C ASN A 251 1 -ATOM 1887 O O . ASN A 1 251 . -14.548 51.915 74.259 1 23.52 ? O ASN A 251 1 -ATOM 1888 C CB . ASN A 1 251 . -11.711 51.511 73.204 1 32.09 ? CB ASN A 251 1 -ATOM 1889 C CG . ASN A 1 251 . -10.356 51.085 73.755 1 34.22 ? CG ASN A 251 1 -ATOM 1890 O OD1 . ASN A 1 251 . -9.71 51.814 74.491 1 37.29 ? OD1 ASN A 251 1 -ATOM 1891 N ND2 . ASN A 1 251 . -9.902 49.886 73.399 1 34.04 ? ND2 ASN A 251 1 -ATOM 1892 N N . LEU A 1 252 . -14.909 51.094 72.209 1 24.55 ? N LEU A 252 1 -ATOM 1893 C CA . LEU A 1 252 . -16.217 51.752 72.133 1 25.74 ? CA LEU A 252 1 -ATOM 1894 C C . LEU A 1 252 . -17.323 50.719 72.346 1 26.48 ? C LEU A 252 1 -ATOM 1895 O O . LEU A 1 252 . -18.519 50.958 72.198 1 23.35 ? O LEU A 252 1 -ATOM 1896 C CB . LEU A 1 252 . -16.488 52.49 70.818 1 25.9 ? CB LEU A 252 1 -ATOM 1897 C CG . LEU A 1 252 . -15.578 53.685 70.503 1 28.99 ? CG LEU A 252 1 -ATOM 1898 C CD1 . LEU A 1 252 . -15.508 54.707 71.638 1 28.34 ? CD1 LEU A 252 1 -ATOM 1899 C CD2 . LEU A 1 252 . -14.181 53.256 70.045 1 33.43 ? CD2 LEU A 252 1 -ATOM 1900 N N . ASN A 1 253 . -16.888 49.519 72.719 1 30.95 ? N ASN A 253 1 -ATOM 1901 C CA . ASN A 1 253 . -17.778 48.392 72.987 1 36.81 ? CA ASN A 253 1 -ATOM 1902 C C . ASN A 1 253 . -18.655 48.03 71.804 1 34.3 ? C ASN A 253 1 -ATOM 1903 O O . ASN A 1 253 . -19.84 47.745 71.914 1 31.53 ? O ASN A 253 1 -ATOM 1904 C CB . ASN A 1 253 . -18.562 48.511 74.327 1 41.04 ? CB ASN A 253 1 -ATOM 1905 C CG . ASN A 1 253 . -19.823 49.371 74.216 1 46.22 ? CG ASN A 253 1 -ATOM 1906 N N . CYS A 1 254 . -18.026 48.082 70.65 1 35.23 ? N CYS A 254 1 -ATOM 1907 C CA . CYS A 1 254 . -18.746 47.74 69.444 1 36.37 ? CA CYS A 254 1 -ATOM 1908 C C . CYS A 1 254 . -18.806 46.251 69.356 1 40.41 ? C CYS A 254 1 -ATOM 1909 O O . CYS A 1 254 . -17.977 45.558 69.928 1 42.26 ? O CYS A 254 1 -ATOM 1910 C CB . CYS A 1 254 . -17.968 48.234 68.238 1 29.99 ? CB CYS A 254 1 -ATOM 1911 S SG . CYS A 1 254 . -18.232 49.996 68.077 1 22.76 ? SG CYS A 254 1 -ATOM 1912 N N . ASN A 1 255 . -19.809 45.776 68.607 1 40.92 ? N ASN A 255 1 -ATOM 1913 C CA . ASN A 1 255 . -19.98 44.344 68.396 1 40.55 ? CA ASN A 255 1 -ATOM 1914 C C . ASN A 1 255 . -18.837 43.974 67.487 1 39.35 ? C ASN A 255 1 -ATOM 1915 O O . ASN A 1 255 . -18.743 44.576 66.427 1 38.2 ? O ASN A 255 1 -ATOM 1916 C CB . ASN A 1 255 . -21.341 44.116 67.707 1 42.22 ? CB ASN A 255 1 -ATOM 1917 C CG . ASN A 1 255 . -21.585 42.672 67.309 1 42.69 ? CG ASN A 255 1 -ATOM 1918 O OD1 . ASN A 1 255 . -20.725 41.998 66.773 1 44.86 ? OD1 ASN A 255 1 -ATOM 1919 N ND2 . ASN A 1 255 . -22.792 42.19 67.567 1 44.25 ? ND2 ASN A 255 1 -ATOM 1920 N N . LEU A 1 256 . -17.98 43.038 67.899 1 39.51 ? N LEU A 256 1 -ATOM 1921 C CA . LEU A 1 256 . -16.841 42.692 67.051 1 42.33 ? CA LEU A 256 1 -ATOM 1922 C C . LEU A 1 256 . -16.977 41.364 66.324 1 44.21 ? C LEU A 256 1 -ATOM 1923 O O . LEU A 1 256 . -15.986 40.706 66.026 1 47.32 ? O LEU A 256 1 -ATOM 1924 C CB . LEU A 1 256 . -15.527 42.636 67.853 1 43.59 ? CB LEU A 256 1 -ATOM 1925 C CG . LEU A 1 256 . -15.167 43.899 68.662 1 47.1 ? CG LEU A 256 1 -ATOM 1926 C CD1 . LEU A 1 256 . -15.667 43.837 70.112 1 50.25 ? CD1 LEU A 256 1 -ATOM 1927 C CD2 . LEU A 1 256 . -13.648 44.085 68.684 1 49.35 ? CD2 LEU A 256 1 -ATOM 1928 N N . ASN A 1 257 . -18.209 40.954 66.04 1 44.93 ? N ASN A 257 1 -ATOM 1929 C CA . ASN A 1 257 . -18.446 39.689 65.349 1 45.58 ? CA ASN A 257 1 -ATOM 1930 C C . ASN A 1 257 . -18.19 39.77 63.848 1 45.23 ? C ASN A 257 1 -ATOM 1931 O O . ASN A 1 257 . -18.074 38.772 63.153 1 44.48 ? O ASN A 257 1 -ATOM 1932 C CB . ASN A 1 257 . -19.885 39.22 65.621 1 47.18 ? CB ASN A 257 1 -ATOM 1933 N N . SER A 1 258 . -18.108 40.983 63.317 1 47.53 ? N SER A 258 1 -ATOM 1934 C CA . SER A 1 258 . -17.875 41.086 61.879 1 46.62 ? CA SER A 258 1 -ATOM 1935 C C . SER A 1 258 . -17.447 42.492 61.525 1 45.93 ? C SER A 258 1 -ATOM 1936 O O . SER A 1 258 . -17.716 43.454 62.239 1 45.45 ? O SER A 258 1 -ATOM 1937 C CB . SER A 1 258 . -19.177 40.743 61.13 1 48.28 ? CB SER A 258 1 -ATOM 1938 O OG . SER A 1 258 . -20.272 41.439 61.741 1 49.1 ? OG SER A 258 1 -ATOM 1939 N N . ASP A 1 259 . -16.807 42.611 60.356 1 43.15 ? N ASP A 259 1 -ATOM 1940 C CA . ASP A 1 259 . -16.392 43.96 59.967 1 39.16 ? CA ASP A 259 1 -ATOM 1941 C C . ASP A 1 259 . -17.603 44.839 59.743 1 36.02 ? C ASP A 259 1 -ATOM 1942 O O . ASP A 1 259 . -17.582 46.03 59.962 1 34.56 ? O ASP A 259 1 -ATOM 1943 C CB . ASP A 1 259 . -15.51 44.013 58.702 1 37.85 ? CB ASP A 259 1 -ATOM 1944 C CG . ASP A 1 259 . -14.228 43.207 58.821 1 39.63 ? CG ASP A 259 1 -ATOM 1945 O OD1 . ASP A 1 259 . -13.947 42.697 59.903 1 42.63 ? OD1 ASP A 259 1 -ATOM 1946 O OD2 . ASP A 1 259 . -13.511 43.092 57.827 1 40.96 ? OD2 ASP A 259 1 -ATOM 1947 N N . GLU A 1 260 . -18.687 44.211 59.313 1 34.31 ? N GLU A 260 1 -ATOM 1948 C CA . GLU A 1 260 . -19.893 44.978 59.06 1 34.44 ? CA GLU A 260 1 -ATOM 1949 C C . GLU A 1 260 . -20.438 45.628 60.31 1 34.84 ? C GLU A 260 1 -ATOM 1950 O O . GLU A 1 260 . -20.857 46.782 60.338 1 32.9 ? O GLU A 260 1 -ATOM 1951 C CB . GLU A 1 260 . -20.997 44.034 58.553 1 35.01 ? CB GLU A 260 1 -ATOM 1952 N N . GLU A 1 261 . -20.432 44.797 61.367 1 34.19 ? N GLU A 261 1 -ATOM 1953 C CA . GLU A 1 261 . -20.95 45.244 62.649 1 32 ? CA GLU A 261 1 -ATOM 1954 C C . GLU A 1 261 . -20.023 46.281 63.25 1 31.67 ? C GLU A 261 1 -ATOM 1955 O O . GLU A 1 261 . -20.417 47.345 63.73 1 31.79 ? O GLU A 261 1 -ATOM 1956 C CB . GLU A 1 261 . -21.191 44.038 63.594 1 35.52 ? CB GLU A 261 1 -ATOM 1957 C CG . GLU A 1 261 . -22.578 43.336 63.399 1 32.88 ? CG GLU A 261 1 -ATOM 1958 N N . LEU A 1 262 . -18.747 45.931 63.201 1 27.26 ? N LEU A 262 1 -ATOM 1959 C CA . LEU A 1 262 . -17.738 46.803 63.731 1 23.27 ? CA LEU A 262 1 -ATOM 1960 C C . LEU A 1 262 . -17.801 48.161 63.07 1 25.58 ? C LEU A 262 1 -ATOM 1961 O O . LEU A 1 262 . -17.867 49.203 63.706 1 29.63 ? O LEU A 262 1 -ATOM 1962 C CB . LEU A 1 262 . -16.39 46.126 63.49 1 23.67 ? CB LEU A 262 1 -ATOM 1963 C CG . LEU A 1 262 . -15.172 46.989 63.827 1 24.34 ? CG LEU A 262 1 -ATOM 1964 C CD1 . LEU A 1 262 . -15.243 47.536 65.25 1 31.17 ? CD1 LEU A 262 1 -ATOM 1965 C CD2 . LEU A 1 262 . -13.881 46.193 63.629 1 25.63 ? CD2 LEU A 262 1 -ATOM 1966 N N . ILE A 1 263 . -17.818 48.13 61.749 1 25.88 ? N ILE A 263 1 -ATOM 1967 C CA . ILE A 1 263 . -17.847 49.358 60.975 1 28.49 ? CA ILE A 263 1 -ATOM 1968 C C . ILE A 1 263 . -19.124 50.128 61.189 1 31.31 ? C ILE A 263 1 -ATOM 1969 O O . ILE A 1 263 . -19.069 51.329 61.404 1 33.92 ? O ILE A 263 1 -ATOM 1970 C CB . ILE A 1 263 . -17.535 49.065 59.487 1 24.74 ? CB ILE A 263 1 -ATOM 1971 C CG1 . ILE A 1 263 . -16.059 48.644 59.363 1 22.96 ? CG1 ILE A 263 1 -ATOM 1972 C CG2 . ILE A 1 263 . -17.839 50.236 58.544 1 19.49 ? CG2 ILE A 263 1 -ATOM 1973 C CD1 . ILE A 1 263 . -15.716 48.015 58.015 1 19.48 ? CD1 ILE A 263 1 -ATOM 1974 N N . HIS A 1 264 . -20.278 49.455 61.149 1 33.61 ? N HIS A 264 1 -ATOM 1975 C CA . HIS A 1 264 . -21.518 50.205 61.354 1 38.39 ? CA HIS A 264 1 -ATOM 1976 C C . HIS A 1 264 . -21.444 50.922 62.677 1 37.97 ? C HIS A 264 1 -ATOM 1977 O O . HIS A 1 264 . -21.759 52.098 62.833 1 40.86 ? O HIS A 264 1 -ATOM 1978 C CB . HIS A 1 264 . -22.772 49.289 61.292 1 48.98 ? CB HIS A 264 1 -ATOM 1979 C CG . HIS A 1 264 . -23.998 49.912 61.975 1 61.06 ? CG HIS A 264 1 -ATOM 1980 N ND1 . HIS A 1 264 . -24.607 51.064 61.597 1 64.46 ? ND1 HIS A 264 1 -ATOM 1981 C CD2 . HIS A 1 264 . -24.674 49.438 63.133 1 65.12 ? CD2 HIS A 264 1 -ATOM 1982 C CE1 . HIS A 1 264 . -25.606 51.285 62.475 1 66.51 ? CE1 HIS A 264 1 -ATOM 1983 N NE2 . HIS A 1 264 . -25.661 50.319 63.41 1 67.54 ? NE2 HIS A 264 1 -ATOM 1984 N N . CYS A 1 265 . -20.976 50.147 63.64 1 32.83 ? N CYS A 265 1 -ATOM 1985 C CA . CYS A 1 265 . -20.856 50.683 64.969 1 29.03 ? CA CYS A 265 1 -ATOM 1986 C C . CYS A 1 265 . -20.017 51.947 64.991 1 27.28 ? C CYS A 265 1 -ATOM 1987 O O . CYS A 1 265 . -20.428 53.001 65.464 1 30.45 ? O CYS A 265 1 -ATOM 1988 C CB . CYS A 1 265 . -20.271 49.584 65.84 1 29.44 ? CB CYS A 265 1 -ATOM 1989 S SG . CYS A 1 265 . -20.203 50.034 67.584 1 30.11 ? SG CYS A 265 1 -ATOM 1990 N N . LEU A 1 266 . -18.829 51.837 64.402 1 22.45 ? N LEU A 266 1 -ATOM 1991 C CA . LEU A 1 266 . -17.952 52.988 64.39 1 20.17 ? CA LEU A 266 1 -ATOM 1992 C C . LEU A 1 266 . -18.529 54.142 63.596 1 21.08 ? C LEU A 266 1 -ATOM 1993 O O . LEU A 1 266 . -18.179 55.288 63.818 1 22.26 ? O LEU A 266 1 -ATOM 1994 C CB . LEU A 1 266 . -16.566 52.593 63.86 1 13.8 ? CB LEU A 266 1 -ATOM 1995 C CG . LEU A 1 266 . -15.856 51.541 64.743 1 9.35 ? CG LEU A 266 1 -ATOM 1996 C CD1 . LEU A 1 266 . -14.74 50.835 63.993 1 6.6 ? CD1 LEU A 266 1 -ATOM 1997 C CD2 . LEU A 1 266 . -15.281 52.153 66.026 1 11.99 ? CD2 LEU A 266 1 -ATOM 1998 N N . ARG A 1 267 . -19.415 53.842 62.651 1 25.36 ? N ARG A 267 1 -ATOM 1999 C CA . ARG A 1 267 . -19.995 54.917 61.85 1 28.09 ? CA ARG A 267 1 -ATOM 2000 C C . ARG A 1 267 . -21.064 55.661 62.61 1 29 ? C ARG A 267 1 -ATOM 2001 O O . ARG A 1 267 . -21.477 56.728 62.177 1 30.66 ? O ARG A 267 1 -ATOM 2002 C CB . ARG A 1 267 . -20.549 54.436 60.474 1 29.47 ? CB ARG A 267 1 -ATOM 2003 C CG . ARG A 1 267 . -19.486 53.801 59.531 1 29.74 ? CG ARG A 267 1 -ATOM 2004 C CD . ARG A 1 267 . -19.493 54.271 58.048 1 31.57 ? CD ARG A 267 1 -ATOM 2005 N NE . ARG A 1 267 . -20.047 53.252 57.148 1 29.99 ? NE ARG A 267 1 -ATOM 2006 C CZ . ARG A 1 267 . -19.349 52.606 56.184 1 29.62 ? CZ ARG A 267 1 -ATOM 2007 N NH1 . ARG A 1 267 . -18.071 52.858 55.912 1 21.41 ? NH1 ARG A 267 1 -ATOM 2008 N NH2 . ARG A 1 267 . -19.958 51.667 55.468 1 32.91 ? NH2 ARG A 267 1 -ATOM 2009 N N . GLU A 1 268 . -21.536 55.071 63.718 1 30.51 ? N GLU A 268 1 -ATOM 2010 C CA . GLU A 1 268 . -22.578 55.737 64.515 1 31.71 ? CA GLU A 268 1 -ATOM 2011 C C . GLU A 1 268 . -21.981 56.554 65.625 1 32.42 ? C GLU A 268 1 -ATOM 2012 O O . GLU A 1 268 . -22.645 57.4 66.212 1 36.23 ? O GLU A 268 1 -ATOM 2013 C CB . GLU A 1 268 . -23.553 54.751 65.201 1 32.99 ? CB GLU A 268 1 -ATOM 2014 C CG . GLU A 1 268 . -24.478 53.994 64.216 1 40.92 ? CG GLU A 268 1 -ATOM 2015 N N . LYS A 1 269 . -20.727 56.248 65.966 1 30.23 ? N LYS A 269 1 -ATOM 2016 C CA . LYS A 1 269 . -20.136 57.002 67.048 1 28.67 ? CA LYS A 269 1 -ATOM 2017 C C . LYS A 1 269 . -19.852 58.419 66.608 1 27.17 ? C LYS A 269 1 -ATOM 2018 O O . LYS A 1 269 . -19.518 58.714 65.474 1 28.28 ? O LYS A 269 1 -ATOM 2019 C CB . LYS A 1 269 . -18.853 56.308 67.49 1 31.35 ? CB LYS A 269 1 -ATOM 2020 C CG . LYS A 1 269 . -19.103 54.88 67.994 1 35.61 ? CG LYS A 269 1 -ATOM 2021 C CD . LYS A 1 269 . -19.619 54.834 69.447 1 42.51 ? CD LYS A 269 1 -ATOM 2022 C CE . LYS A 1 269 . -19.981 53.407 69.892 1 46.28 ? CE LYS A 269 1 -ATOM 2023 N NZ . LYS A 1 269 . -21.133 52.934 69.153 1 51.59 ? NZ LYS A 269 1 -ATOM 2024 N N . LYS A 1 270 . -19.979 59.33 67.561 1 25.86 ? N LYS A 270 1 -ATOM 2025 C CA . LYS A 1 270 . -19.709 60.724 67.236 1 25.82 ? CA LYS A 270 1 -ATOM 2026 C C . LYS A 1 270 . -18.202 60.845 67.06 1 25.56 ? C LYS A 270 1 -ATOM 2027 O O . LYS A 1 270 . -17.471 60.112 67.724 1 28.89 ? O LYS A 270 1 -ATOM 2028 C CB . LYS A 1 270 . -20.179 61.623 68.394 1 29.72 ? CB LYS A 270 1 -ATOM 2029 C CG . LYS A 1 270 . -21.486 61.133 69.055 1 34.57 ? CG LYS A 270 1 -ATOM 2030 N N . PRO A 1 271 . -17.728 61.788 66.223 1 21.99 ? N PRO A 271 1 -ATOM 2031 C CA . PRO A 1 271 . -16.312 61.825 65.882 1 19.77 ? CA PRO A 271 1 -ATOM 2032 C C . PRO A 1 271 . -15.406 61.873 67.097 1 19.51 ? C PRO A 271 1 -ATOM 2033 O O . PRO A 1 271 . -14.427 61.145 67.208 1 18.77 ? O PRO A 271 1 -ATOM 2034 C CB . PRO A 1 271 . -16.15 63.032 64.951 1 17.86 ? CB PRO A 271 1 -ATOM 2035 C CG . PRO A 1 271 . -17.502 63.772 64.96 1 19.7 ? CG PRO A 271 1 -ATOM 2036 C CD . PRO A 1 271 . -18.527 62.824 65.588 1 21.39 ? CD PRO A 271 1 -ATOM 2037 N N . GLN A 1 272 . -15.781 62.747 68.045 1 20.44 ? N GLN A 272 1 -ATOM 2038 C CA . GLN A 1 272 . -14.959 62.861 69.255 1 20.29 ? CA GLN A 272 1 -ATOM 2039 C C . GLN A 1 272 . -14.813 61.567 70.024 1 16.35 ? C GLN A 272 1 -ATOM 2040 O O . GLN A 1 272 . -13.796 61.346 70.659 1 14.98 ? O GLN A 272 1 -ATOM 2041 C CB . GLN A 1 272 . -15.424 63.988 70.206 1 25.23 ? CB GLN A 272 1 -ATOM 2042 C CG . GLN A 1 272 . -14.716 65.336 69.967 1 35.78 ? CG GLN A 272 1 -ATOM 2043 C CD . GLN A 1 272 . -13.264 65.246 70.428 1 40.78 ? CD GLN A 272 1 -ATOM 2044 O OE1 . GLN A 1 272 . -12.922 64.449 71.287 1 41.42 ? OE1 GLN A 272 1 -ATOM 2045 N NE2 . GLN A 1 272 . -12.403 66.076 69.832 1 43.62 ? NE2 GLN A 272 1 -ATOM 2046 N N . GLU A 1 273 . -15.814 60.683 69.974 1 15.06 ? N GLU A 273 1 -ATOM 2047 C CA . GLU A 1 273 . -15.616 59.448 70.732 1 16.59 ? CA GLU A 273 1 -ATOM 2048 C C . GLU A 1 273 . -14.449 58.688 70.17 1 17.35 ? C GLU A 273 1 -ATOM 2049 O O . GLU A 1 273 . -13.67 58.105 70.916 1 18.34 ? O GLU A 273 1 -ATOM 2050 C CB . GLU A 1 273 . -16.839 58.526 70.737 1 19.35 ? CB GLU A 273 1 -ATOM 2051 C CG . GLU A 1 273 . -17.982 59.089 71.591 1 26.28 ? CG GLU A 273 1 -ATOM 2052 C CD . GLU A 1 273 . -19.28 58.34 71.341 1 32.07 ? CD GLU A 273 1 -ATOM 2053 O OE1 . GLU A 1 273 . -19.991 58.685 70.392 1 31.44 ? OE1 GLU A 273 1 -ATOM 2054 O OE2 . GLU A 1 273 . -19.578 57.42 72.102 1 35.54 ? OE2 GLU A 273 1 -ATOM 2055 N N . LEU A 1 274 . -14.342 58.737 68.832 1 17.24 ? N LEU A 274 1 -ATOM 2056 C CA . LEU A 1 274 . -13.243 58.017 68.201 1 16.07 ? CA LEU A 274 1 -ATOM 2057 C C . LEU A 1 274 . -11.927 58.632 68.622 1 12.97 ? C LEU A 274 1 -ATOM 2058 O O . LEU A 1 274 . -10.984 57.957 69.004 1 16.28 ? O LEU A 274 1 -ATOM 2059 C CB . LEU A 1 274 . -13.388 57.989 66.664 1 19.09 ? CB LEU A 274 1 -ATOM 2060 C CG . LEU A 1 274 . -14.568 57.105 66.157 1 21.29 ? CG LEU A 274 1 -ATOM 2061 C CD1 . LEU A 1 274 . -15.439 57.817 65.127 1 18.9 ? CD1 LEU A 274 1 -ATOM 2062 C CD2 . LEU A 1 274 . -14.099 55.763 65.575 1 19.75 ? CD2 LEU A 274 1 -ATOM 2063 N N . ILE A 1 275 . -11.874 59.954 68.582 1 9.96 ? N ILE A 275 1 -ATOM 2064 C CA . ILE A 1 275 . -10.621 60.576 68.97 1 9.89 ? CA ILE A 275 1 -ATOM 2065 C C . ILE A 1 275 . -10.229 60.26 70.403 1 13.55 ? C ILE A 275 1 -ATOM 2066 O O . ILE A 1 275 . -9.072 59.954 70.664 1 17.07 ? O ILE A 275 1 -ATOM 2067 C CB . ILE A 1 275 . -10.652 62.094 68.769 1 11.57 ? CB ILE A 275 1 -ATOM 2068 C CG1 . ILE A 1 275 . -11.319 62.423 67.42 1 2.17 ? CG1 ILE A 275 1 -ATOM 2069 C CG2 . ILE A 1 275 . -9.236 62.708 68.908 1 9.05 ? CG2 ILE A 275 1 -ATOM 2070 C CD1 . ILE A 1 275 . -11.178 63.888 67.037 1 6.35 ? CD1 ILE A 275 1 -ATOM 2071 N N . ASP A 1 276 . -11.214 60.323 71.312 1 13.66 ? N ASP A 276 1 -ATOM 2072 C CA . ASP A 1 276 . -10.967 60.055 72.736 1 9.99 ? CA ASP A 276 1 -ATOM 2073 C C . ASP A 1 276 . -10.209 58.755 72.987 1 9.78 ? C ASP A 276 1 -ATOM 2074 O O . ASP A 1 276 . -9.256 58.728 73.749 1 15.86 ? O ASP A 276 1 -ATOM 2075 C CB . ASP A 1 276 . -12.268 60.066 73.579 1 6.67 ? CB ASP A 276 1 -ATOM 2076 C CG . ASP A 1 276 . -12.935 61.437 73.832 1 13.34 ? CG ASP A 276 1 -ATOM 2077 O OD1 . ASP A 1 276 . -12.247 62.466 73.816 1 11.05 ? OD1 ASP A 276 1 -ATOM 2078 O OD2 . ASP A 1 276 . -14.149 61.465 74.08 1 12.5 ? OD2 ASP A 276 1 -ATOM 2079 N N . VAL A 1 277 . -10.607 57.654 72.345 1 10.57 ? N VAL A 277 1 -ATOM 2080 C CA . VAL A 1 277 . -9.861 56.422 72.639 1 11.18 ? CA VAL A 277 1 -ATOM 2081 C C . VAL A 1 277 . -8.818 56.096 71.598 1 9.73 ? C VAL A 277 1 -ATOM 2082 O O . VAL A 1 277 . -8.168 55.065 71.658 1 6.66 ? O VAL A 277 1 -ATOM 2083 C CB . VAL A 1 277 . -10.844 55.258 72.819 1 12 ? CB VAL A 277 1 -ATOM 2084 C CG1 . VAL A 1 277 . -11.716 55.499 74.059 1 14.32 ? CG1 VAL A 277 1 -ATOM 2085 C CG2 . VAL A 1 277 . -11.75 55.051 71.604 1 14.63 ? CG2 VAL A 277 1 -ATOM 2086 N N . GLU A 1 278 . -8.644 56.991 70.636 1 13.19 ? N GLU A 278 1 -ATOM 2087 C CA . GLU A 1 278 . -7.692 56.76 69.568 1 15.23 ? CA GLU A 278 1 -ATOM 2088 C C . GLU A 1 278 . -6.29 56.328 70.024 1 17.91 ? C GLU A 278 1 -ATOM 2089 O O . GLU A 1 278 . -5.709 55.38 69.506 1 17.63 ? O GLU A 278 1 -ATOM 2090 C CB . GLU A 1 278 . -7.666 58.018 68.686 1 14.05 ? CB GLU A 278 1 -ATOM 2091 C CG . GLU A 1 278 . -6.897 57.868 67.363 1 22.36 ? CG GLU A 278 1 -ATOM 2092 C CD . GLU A 1 278 . -6.148 59.113 66.886 1 24.06 ? CD GLU A 278 1 -ATOM 2093 O OE1 . GLU A 1 278 . -6.613 60.233 67.11 1 17.72 ? OE1 GLU A 278 1 -ATOM 2094 O OE2 . GLU A 1 278 . -5.08 58.936 66.29 1 29.64 ? OE2 GLU A 278 1 -ATOM 2095 N N . TRP A 1 279 . -5.748 56.995 71.039 1 19.53 ? N TRP A 279 1 -ATOM 2096 C CA . TRP A 1 279 . -4.375 56.663 71.456 1 23.58 ? CA TRP A 279 1 -ATOM 2097 C C . TRP A 1 279 . -4.326 55.378 72.305 1 21.75 ? C TRP A 279 1 -ATOM 2098 O O . TRP A 1 279 . -3.27 54.887 72.685 1 20.15 ? O TRP A 279 1 -ATOM 2099 C CB . TRP A 1 279 . -3.626 57.911 72.073 1 27.83 ? CB TRP A 279 1 -ATOM 2100 C CG . TRP A 1 279 . -3.609 59.185 71.18 1 45.87 ? CG TRP A 279 1 -ATOM 2101 C CD1 . TRP A 1 279 . -4.6 59.611 70.245 1 51.14 ? CD1 TRP A 279 1 -ATOM 2102 C CD2 . TRP A 1 279 . -2.638 60.215 71.124 1 51.75 ? CD2 TRP A 279 1 -ATOM 2103 N NE1 . TRP A 1 279 . -4.32 60.787 69.652 1 49.73 ? NE1 TRP A 279 1 -ATOM 2104 C CE2 . TRP A 1 279 . -3.129 61.217 70.139 1 49.88 ? CE2 TRP A 279 1 -ATOM 2105 C CE3 . TRP A 1 279 . -1.396 60.443 71.739 1 58.48 ? CE3 TRP A 279 1 -ATOM 2106 C CZ2 . TRP A 1 279 . -2.355 62.344 69.845 1 52.53 ? CZ2 TRP A 279 1 -ATOM 2107 C CZ3 . TRP A 1 279 . -0.651 61.593 71.411 1 56.28 ? CZ3 TRP A 279 1 -ATOM 2108 C CH2 . TRP A 1 279 . -1.121 62.532 70.477 1 54.43 ? CH2 TRP A 279 1 -ATOM 2109 N N . ASN A 1 280 . -5.489 54.797 72.608 1 20.31 ? N ASN A 280 1 -ATOM 2110 C CA . ASN A 1 280 . -5.433 53.582 73.429 1 20.08 ? CA ASN A 280 1 -ATOM 2111 C C . ASN A 1 280 . -5.039 52.341 72.694 1 22.62 ? C ASN A 280 1 -ATOM 2112 O O . ASN A 1 280 . -4.46 51.425 73.248 1 26.63 ? O ASN A 280 1 -ATOM 2113 C CB . ASN A 1 280 . -6.789 53.199 74.043 1 20.19 ? CB ASN A 280 1 -ATOM 2114 C CG . ASN A 1 280 . -7.137 54.098 75.195 1 24.84 ? CG ASN A 280 1 -ATOM 2115 O OD1 . ASN A 1 280 . -6.304 54.823 75.717 1 25.2 ? OD1 ASN A 280 1 -ATOM 2116 N ND2 . ASN A 1 280 . -8.397 54.069 75.59 1 28.34 ? ND2 ASN A 280 1 -ATOM 2117 N N . VAL A 1 281 . -5.38 52.275 71.42 1 25.56 ? N VAL A 281 1 -ATOM 2118 C CA . VAL A 1 281 . -5.062 51.042 70.707 1 24.42 ? CA VAL A 281 1 -ATOM 2119 C C . VAL A 1 281 . -3.599 50.711 70.393 1 22.95 ? C VAL A 281 1 -ATOM 2120 O O . VAL A 1 281 . -3.372 49.647 69.821 1 24.23 ? O VAL A 281 1 -ATOM 2121 C CB . VAL A 1 281 . -5.906 51 69.425 1 25.83 ? CB VAL A 281 1 -ATOM 2122 C CG1 . VAL A 1 281 . -7.411 51.111 69.722 1 27.99 ? CG1 VAL A 281 1 -ATOM 2123 C CG2 . VAL A 1 281 . -5.501 52.081 68.401 1 30.18 ? CG2 VAL A 281 1 -ATOM 2124 N N . LEU A 1 282 . -2.624 51.588 70.698 1 20.87 ? N LEU A 282 1 -ATOM 2125 C CA . LEU A 1 282 . -1.259 51.173 70.351 1 23 ? CA LEU A 282 1 -ATOM 2126 C C . LEU A 1 282 . -0.893 49.88 71.054 1 27.86 ? C LEU A 282 1 -ATOM 2127 O O . LEU A 1 282 . -1.344 49.607 72.15 1 32.56 ? O LEU A 282 1 -ATOM 2128 C CB . LEU A 1 282 . -0.159 52.178 70.739 1 21.55 ? CB LEU A 282 1 -ATOM 2129 C CG . LEU A 1 282 . -0.144 53.46 69.926 1 18.06 ? CG LEU A 282 1 -ATOM 2130 C CD1 . LEU A 1 282 . 0.864 54.445 70.504 1 16.8 ? CD1 LEU A 282 1 -ATOM 2131 C CD2 . LEU A 1 282 . 0.197 53.174 68.463 1 26.92 ? CD2 LEU A 282 1 -ATOM 2132 N N . PRO A 1 283 . -0.024 49.098 70.427 1 30.7 ? N PRO A 283 1 -ATOM 2133 C CA . PRO A 1 283 . 0.402 47.861 71.049 1 32.14 ? CA PRO A 283 1 -ATOM 2134 C C . PRO A 1 283 . 1.517 48.007 72.09 1 33.95 ? C PRO A 283 1 -ATOM 2135 O O . PRO A 1 283 . 1.919 47.011 72.68 1 36.67 ? O PRO A 283 1 -ATOM 2136 C CB . PRO A 1 283 . 0.991 47.076 69.875 1 30.98 ? CB PRO A 283 1 -ATOM 2137 C CG . PRO A 1 283 . 1.456 48.15 68.884 1 33.78 ? CG PRO A 283 1 -ATOM 2138 C CD . PRO A 1 283 . 0.527 49.34 69.104 1 32 ? CD PRO A 283 1 -ATOM 2139 N N . PHE A 1 284 . 2.073 49.21 72.301 1 33.22 ? N PHE A 284 1 -ATOM 2140 C CA . PHE A 1 284 . 3.173 49.257 73.275 1 33.7 ? CA PHE A 284 1 -ATOM 2141 C C . PHE A 1 284 . 3.401 50.664 73.784 1 31.26 ? C PHE A 284 1 -ATOM 2142 O O . PHE A 1 284 . 2.904 51.64 73.25 1 35.29 ? O PHE A 284 1 -ATOM 2143 C CB . PHE A 1 284 . 4.48 48.725 72.623 1 37.6 ? CB PHE A 284 1 -ATOM 2144 C CG . PHE A 1 284 . 4.8 49.364 71.288 1 35.44 ? CG PHE A 284 1 -ATOM 2145 N N . ASP A 1 285 . 4.19 50.78 74.844 1 27.46 ? N ASP A 285 1 -ATOM 2146 C CA . ASP A 1 285 . 4.458 52.113 75.37 1 27.08 ? CA ASP A 285 1 -ATOM 2147 C C . ASP A 1 285 . 5.465 52.645 74.399 1 24.63 ? C ASP A 285 1 -ATOM 2148 O O . ASP A 1 285 . 6.459 51.963 74.202 1 23.44 ? O ASP A 285 1 -ATOM 2149 C CB . ASP A 1 285 . 5.088 52.01 76.783 1 32.77 ? CB ASP A 285 1 -ATOM 2150 C CG . ASP A 1 285 . 4.963 53.25 77.68 1 36.82 ? CG ASP A 285 1 -ATOM 2151 O OD1 . ASP A 1 285 . 4.601 54.334 77.2 1 41.07 ? OD1 ASP A 285 1 -ATOM 2152 O OD2 . ASP A 1 285 . 5.201 53.11 78.885 1 39.75 ? OD2 ASP A 285 1 -ATOM 2153 N N . SER A 1 286 . 5.244 53.807 73.796 1 22.2 ? N SER A 286 1 -ATOM 2154 C CA . SER A 1 286 . 6.287 54.187 72.865 1 20.31 ? CA SER A 286 1 -ATOM 2155 C C . SER A 1 286 . 6.19 55.639 72.579 1 20.85 ? C SER A 286 1 -ATOM 2156 O O . SER A 1 286 . 5.215 56.291 72.907 1 25.15 ? O SER A 286 1 -ATOM 2157 C CB . SER A 1 286 . 6.124 53.397 71.571 1 22.04 ? CB SER A 286 1 -ATOM 2158 N N . ILE A 1 287 . 7.231 56.149 71.957 1 20.58 ? N ILE A 287 1 -ATOM 2159 C CA . ILE A 1 287 . 7.316 57.542 71.6 1 18.81 ? CA ILE A 287 1 -ATOM 2160 C C . ILE A 1 287 . 7.566 57.539 70.101 1 23.59 ? C ILE A 287 1 -ATOM 2161 O O . ILE A 1 287 . 8.253 56.669 69.584 1 23.54 ? O ILE A 287 1 -ATOM 2162 C CB . ILE A 1 287 . 8.386 58.168 72.526 1 19.4 ? CB ILE A 287 1 -ATOM 2163 C CG1 . ILE A 1 287 . 7.674 58.758 73.738 1 26.33 ? CG1 ILE A 287 1 -ATOM 2164 C CG2 . ILE A 1 287 . 9.381 59.18 71.969 1 12.5 ? CG2 ILE A 287 1 -ATOM 2165 C CD1 . ILE A 1 287 . 6.783 59.964 73.388 1 37.57 ? CD1 ILE A 287 1 -ATOM 2166 N N . PHE A 1 288 . 6.98 58.527 69.409 1 22.61 ? N PHE A 288 1 -ATOM 2167 C CA . PHE A 1 288 . 7.142 58.613 67.965 1 18.77 ? CA PHE A 288 1 -ATOM 2168 C C . PHE A 1 288 . 6.488 57.438 67.263 1 17.49 ? C PHE A 288 1 -ATOM 2169 O O . PHE A 1 288 . 7.068 56.848 66.366 1 18.77 ? O PHE A 288 1 -ATOM 2170 C CB . PHE A 1 288 . 8.626 58.732 67.524 1 18.74 ? CB PHE A 288 1 -ATOM 2171 C CG . PHE A 1 288 . 8.842 59.709 66.391 1 20.03 ? CG PHE A 288 1 -ATOM 2172 C CD1 . PHE A 1 288 . 7.959 59.77 65.297 1 18.55 ? CD1 PHE A 288 1 -ATOM 2173 C CD2 . PHE A 1 288 . 9.937 60.591 66.439 1 20.66 ? CD2 PHE A 288 1 -ATOM 2174 C CE1 . PHE A 1 288 . 8.162 60.724 64.286 1 21.85 ? CE1 PHE A 288 1 -ATOM 2175 C CE2 . PHE A 1 288 . 10.152 61.527 65.417 1 18.68 ? CE2 PHE A 288 1 -ATOM 2176 C CZ . PHE A 1 288 . 9.258 61.601 64.342 1 18.73 ? CZ PHE A 288 1 -ATOM 2177 N N . ARG A 1 289 . 5.281 57.08 67.706 1 13.71 ? N ARG A 289 1 -ATOM 2178 C CA . ARG A 1 289 . 4.589 55.99 67.04 1 10.97 ? CA ARG A 289 1 -ATOM 2179 C C . ARG A 1 289 . 3.133 56.446 67.008 1 13.17 ? C ARG A 289 1 -ATOM 2180 O O . ARG A 1 289 . 2.672 57.044 67.976 1 15.46 ? O ARG A 289 1 -ATOM 2181 C CB . ARG A 1 289 . 4.87 54.676 67.752 1 7.32 ? CB ARG A 289 1 -ATOM 2182 C CG . ARG A 1 289 . 5.166 53.55 66.761 1 10.17 ? CG ARG A 289 1 -ATOM 2183 C CD . ARG A 1 289 . 6.592 52.986 66.804 1 8.16 ? CD ARG A 289 1 -ATOM 2184 N NE . ARG A 1 289 . 7.61 53.993 66.528 1 6.44 ? NE ARG A 289 1 -ATOM 2185 C CZ . ARG A 1 289 . 8.888 53.619 66.311 1 7.3 ? CZ ARG A 289 1 -ATOM 2186 N NH1 . ARG A 1 289 . 9.265 52.332 66.314 1 9.32 ? NH1 ARG A 289 1 -ATOM 2187 N NH2 . ARG A 1 289 . 9.799 54.549 66.1 1 2 ? NH2 ARG A 289 1 -ATOM 2188 N N . PHE A 1 290 . 2.423 56.202 65.89 1 13.8 ? N PHE A 290 1 -ATOM 2189 C CA . PHE A 1 290 . 1.03 56.669 65.753 1 7.02 ? CA PHE A 290 1 -ATOM 2190 C C . PHE A 1 290 . 0.166 55.475 65.563 1 7.77 ? C PHE A 290 1 -ATOM 2191 O O . PHE A 1 290 . 0.62 54.426 65.14 1 8.78 ? O PHE A 290 1 -ATOM 2192 C CB . PHE A 1 290 . 0.93 57.706 64.649 1 5.39 ? CB PHE A 290 1 -ATOM 2193 C CG . PHE A 1 290 . 2.049 58.697 64.835 1 6.71 ? CG PHE A 290 1 -ATOM 2194 C CD1 . PHE A 1 290 . 2.069 59.518 65.98 1 9.75 ? CD1 PHE A 290 1 -ATOM 2195 C CD2 . PHE A 1 290 . 3.094 58.785 63.908 1 5 ? CD2 PHE A 290 1 -ATOM 2196 C CE1 . PHE A 1 290 . 3.123 60.416 66.204 1 12.99 ? CE1 PHE A 290 1 -ATOM 2197 C CE2 . PHE A 1 290 . 4.152 59.683 64.134 1 15.4 ? CE2 PHE A 290 1 -ATOM 2198 C CZ . PHE A 1 290 . 4.175 60.502 65.278 1 13.61 ? CZ PHE A 290 1 -ATOM 2199 N N . SER A 1 291 . -1.106 55.638 65.857 1 8.32 ? N SER A 291 1 -ATOM 2200 C CA . SER A 1 291 . -1.972 54.462 65.823 1 16.13 ? CA SER A 291 1 -ATOM 2201 C C . SER A 1 291 . -2.512 54.045 64.482 1 17.73 ? C SER A 291 1 -ATOM 2202 O O . SER A 1 291 . -2.336 52.912 64.051 1 20.12 ? O SER A 291 1 -ATOM 2203 C CB . SER A 1 291 . -3.099 54.609 66.872 1 19.54 ? CB SER A 291 1 -ATOM 2204 O OG . SER A 1 291 . -3.357 56.01 67.071 1 33.63 ? OG SER A 291 1 -ATOM 2205 N N . PHE A 1 292 . -3.239 54.985 63.879 1 17.03 ? N PHE A 292 1 -ATOM 2206 C CA . PHE A 1 292 . -3.854 54.779 62.57 1 16.67 ? CA PHE A 292 1 -ATOM 2207 C C . PHE A 1 292 . -2.927 55.452 61.567 1 16.8 ? C PHE A 292 1 -ATOM 2208 O O . PHE A 1 292 . -2.77 56.67 61.518 1 15.5 ? O PHE A 292 1 -ATOM 2209 C CB . PHE A 1 292 . -5.27 55.372 62.539 1 17.52 ? CB PHE A 292 1 -ATOM 2210 C CG . PHE A 1 292 . -6.134 54.657 63.543 1 17.08 ? CG PHE A 292 1 -ATOM 2211 C CD1 . PHE A 1 292 . -6.5 53.322 63.309 1 15.4 ? CD1 PHE A 292 1 -ATOM 2212 C CD2 . PHE A 1 292 . -6.55 55.293 64.726 1 18.33 ? CD2 PHE A 292 1 -ATOM 2213 C CE1 . PHE A 1 292 . -7.267 52.62 64.249 1 18.53 ? CE1 PHE A 292 1 -ATOM 2214 C CE2 . PHE A 1 292 . -7.321 54.589 65.666 1 17.4 ? CE2 PHE A 292 1 -ATOM 2215 C CZ . PHE A 1 292 . -7.677 53.255 65.429 1 14.64 ? CZ PHE A 292 1 -ATOM 2216 N N . VAL A 1 293 . -2.289 54.601 60.776 1 12.34 ? N VAL A 293 1 -ATOM 2217 C CA . VAL A 1 293 . -1.336 55.08 59.827 1 8.67 ? CA VAL A 293 1 -ATOM 2218 C C . VAL A 1 293 . -1.555 54.254 58.525 1 12.18 ? C VAL A 293 1 -ATOM 2219 O O . VAL A 1 293 . -2.342 53.305 58.56 1 16.8 ? O VAL A 293 1 -ATOM 2220 C CB . VAL A 1 293 . -0.041 54.883 60.652 1 4.33 ? CB VAL A 293 1 -ATOM 2221 C CG1 . VAL A 1 293 . 0.6 53.521 60.414 1 2 ? CG1 VAL A 293 1 -ATOM 2222 C CG2 . VAL A 1 293 . 0.897 56.091 60.681 1 2 ? CG2 VAL A 293 1 -ATOM 2223 N N . PRO A 1 294 . -0.904 54.629 57.388 1 9.3 ? N PRO A 294 1 -ATOM 2224 C CA . PRO A 1 294 . -0.938 53.815 56.186 1 8.79 ? CA PRO A 294 1 -ATOM 2225 C C . PRO A 1 294 . -0.599 52.352 56.371 1 10.5 ? C PRO A 294 1 -ATOM 2226 O O . PRO A 1 294 . 0.323 51.972 57.076 1 9.56 ? O PRO A 294 1 -ATOM 2227 C CB . PRO A 1 294 . 0.094 54.478 55.268 1 6.8 ? CB PRO A 294 1 -ATOM 2228 C CG . PRO A 1 294 . 0.162 55.948 55.71 1 6.81 ? CG PRO A 294 1 -ATOM 2229 C CD . PRO A 1 294 . -0.242 55.919 57.186 1 9.07 ? CD PRO A 294 1 -ATOM 2230 N N . VAL A 1 295 . -1.359 51.52 55.684 1 11.41 ? N VAL A 295 1 -ATOM 2231 C CA . VAL A 1 295 . -1.144 50.105 55.753 1 11.66 ? CA VAL A 295 1 -ATOM 2232 C C . VAL A 1 295 . -0.563 49.626 54.426 1 11.36 ? C VAL A 295 1 -ATOM 2233 O O . VAL A 1 295 . -0.921 50.1 53.345 1 15.72 ? O VAL A 295 1 -ATOM 2234 C CB . VAL A 1 295 . -2.5 49.475 56.064 1 11.25 ? CB VAL A 295 1 -ATOM 2235 C CG1 . VAL A 1 295 . -3.536 49.665 54.957 1 11.82 ? CG1 VAL A 295 1 -ATOM 2236 C CG2 . VAL A 1 295 . -2.383 48.012 56.439 1 13.92 ? CG2 VAL A 295 1 -ATOM 2237 N N . ILE A 1 296 . 0.332 48.65 54.494 1 7.67 ? N ILE A 296 1 -ATOM 2238 C CA . ILE A 1 296 . 0.909 48.108 53.269 1 9.07 ? CA ILE A 296 1 -ATOM 2239 C C . ILE A 1 296 . -0.113 47.067 52.819 1 13.22 ? C ILE A 296 1 -ATOM 2240 O O . ILE A 1 296 . -0.081 45.901 53.17 1 16.51 ? O ILE A 296 1 -ATOM 2241 C CB . ILE A 1 296 . 2.32 47.588 53.556 1 3.19 ? CB ILE A 296 1 -ATOM 2242 C CG1 . ILE A 1 296 . 3.177 48.649 54.284 1 7.61 ? CG1 ILE A 296 1 -ATOM 2243 C CG2 . ILE A 1 296 . 3.046 47.123 52.298 1 9.21 ? CG2 ILE A 296 1 -ATOM 2244 C CD1 . ILE A 1 296 . 3.414 49.937 53.482 1 2 ? CD1 ILE A 296 1 -ATOM 2245 N N . ASP A 1 297 . -1.079 47.551 52.048 1 17.57 ? N ASP A 297 1 -ATOM 2246 C CA . ASP A 1 297 . -2.187 46.71 51.598 1 18.19 ? CA ASP A 297 1 -ATOM 2247 C C . ASP A 1 297 . -2.087 45.968 50.305 1 18.63 ? C ASP A 297 1 -ATOM 2248 O O . ASP A 1 297 . -3.04 45.291 49.965 1 20.4 ? O ASP A 297 1 -ATOM 2249 C CB . ASP A 1 297 . -3.443 47.587 51.441 1 21.53 ? CB ASP A 297 1 -ATOM 2250 C CG . ASP A 1 297 . -3.249 48.707 50.408 1 25.52 ? CG ASP A 297 1 -ATOM 2251 O OD1 . ASP A 1 297 . -2.118 48.919 49.965 1 25.27 ? OD1 ASP A 297 1 -ATOM 2252 O OD2 . ASP A 1 297 . -4.229 49.36 50.045 1 30.02 ? OD2 ASP A 297 1 -ATOM 2253 N N . GLY A 1 298 . -1.035 46.149 49.527 1 19.76 ? N GLY A 298 1 -ATOM 2254 C CA . GLY A 1 298 . -1.012 45.399 48.265 1 20.13 ? CA GLY A 298 1 -ATOM 2255 C C . GLY A 1 298 . -1.68 46.119 47.101 1 21.29 ? C GLY A 298 1 -ATOM 2256 O O . GLY A 1 298 . -1.65 45.683 45.964 1 21.74 ? O GLY A 298 1 -ATOM 2257 N N . GLU A 1 299 . -2.354 47.242 47.391 1 24.12 ? N GLU A 299 1 -ATOM 2258 C CA . GLU A 1 299 . -2.987 48.004 46.305 1 25.75 ? CA GLU A 299 1 -ATOM 2259 C C . GLU A 1 299 . -2.149 49.253 46.134 1 24.4 ? C GLU A 299 1 -ATOM 2260 O O . GLU A 1 299 . -1.33 49.372 45.239 1 26.48 ? O GLU A 299 1 -ATOM 2261 C CB . GLU A 1 299 . -4.484 48.325 46.503 1 25.83 ? CB GLU A 299 1 -ATOM 2262 C CG . GLU A 1 299 . -5.398 47.079 46.58 1 32.58 ? CG GLU A 299 1 -ATOM 2263 N N . PHE A 1 300 . -2.35 50.184 47.083 1 18.19 ? N PHE A 300 1 -ATOM 2264 C CA . PHE A 1 300 . -1.59 51.437 47.05 1 12.45 ? CA PHE A 300 1 -ATOM 2265 C C . PHE A 1 300 . -0.093 51.132 46.92 1 11.34 ? C PHE A 300 1 -ATOM 2266 O O . PHE A 1 300 . 0.658 51.681 46.131 1 13.48 ? O PHE A 300 1 -ATOM 2267 C CB . PHE A 1 300 . -1.975 52.258 48.291 1 7.9 ? CB PHE A 300 1 -ATOM 2268 C CG . PHE A 1 300 . -1.758 53.743 48.144 1 2.53 ? CG PHE A 300 1 -ATOM 2269 C CD1 . PHE A 1 300 . -0.45 54.264 48.217 1 2 ? CD1 PHE A 300 1 -ATOM 2270 C CD2 . PHE A 1 300 . -2.854 54.617 47.978 1 2 ? CD2 PHE A 300 1 -ATOM 2271 C CE1 . PHE A 1 300 . -0.238 55.646 48.138 1 2 ? CE1 PHE A 300 1 -ATOM 2272 C CE2 . PHE A 1 300 . -2.636 56.001 47.897 1 2.42 ? CE2 PHE A 300 1 -ATOM 2273 C CZ . PHE A 1 300 . -1.329 56.516 47.975 1 2 ? CZ PHE A 300 1 -ATOM 2274 N N . PHE A 1 301 . 0.338 50.182 47.74 1 13.91 ? N PHE A 301 1 -ATOM 2275 C CA . PHE A 1 301 . 1.728 49.748 47.685 1 16.4 ? CA PHE A 301 1 -ATOM 2276 C C . PHE A 1 301 . 1.552 48.355 47.154 1 17.78 ? C PHE A 301 1 -ATOM 2277 O O . PHE A 1 301 . 0.813 47.606 47.779 1 18.74 ? O PHE A 301 1 -ATOM 2278 C CB . PHE A 1 301 . 2.442 49.68 49.055 1 12.1 ? CB PHE A 301 1 -ATOM 2279 C CG . PHE A 1 301 . 2.334 50.999 49.759 1 8.05 ? CG PHE A 301 1 -ATOM 2280 C CD1 . PHE A 1 301 . 3.19 52.053 49.41 1 8.6 ? CD1 PHE A 301 1 -ATOM 2281 C CD2 . PHE A 1 301 . 1.335 51.199 50.731 1 7.13 ? CD2 PHE A 301 1 -ATOM 2282 C CE1 . PHE A 1 301 . 3.033 53.309 50.021 1 11.99 ? CE1 PHE A 301 1 -ATOM 2283 C CE2 . PHE A 1 301 . 1.18 52.448 51.337 1 7.18 ? CE2 PHE A 301 1 -ATOM 2284 C CZ . PHE A 1 301 . 2.027 53.509 50.983 1 6.39 ? CZ PHE A 301 1 -ATOM 2285 N N . PRO A 1 302 . 2.178 48.011 46.027 1 22.94 ? N PRO A 302 1 -ATOM 2286 C CA . PRO A 1 302 . 2.077 46.642 45.548 1 24.21 ? CA PRO A 302 1 -ATOM 2287 C C . PRO A 1 302 . 2.809 45.66 46.448 1 26.54 ? C PRO A 302 1 -ATOM 2288 O O . PRO A 1 302 . 2.337 44.569 46.749 1 30.3 ? O PRO A 302 1 -ATOM 2289 C CB . PRO A 1 302 . 2.681 46.708 44.135 1 22.95 ? CB PRO A 302 1 -ATOM 2290 C CG . PRO A 1 302 . 3.442 48.048 44.018 1 21.28 ? CG PRO A 302 1 -ATOM 2291 C CD . PRO A 1 302 . 2.862 48.938 45.116 1 25.04 ? CD PRO A 302 1 -ATOM 2292 N N . THR A 1 303 . 4.011 46.07 46.872 1 24.95 ? N THR A 303 1 -ATOM 2293 C CA . THR A 1 303 . 4.819 45.204 47.717 1 23.35 ? CA THR A 303 1 -ATOM 2294 C C . THR A 1 303 . 5.359 46.023 48.858 1 21.75 ? C THR A 303 1 -ATOM 2295 O O . THR A 1 303 . 5.061 47.188 49.08 1 22.57 ? O THR A 303 1 -ATOM 2296 C CB . THR A 1 303 . 5.96 44.619 46.857 1 24.02 ? CB THR A 303 1 -ATOM 2297 O OG1 . THR A 1 303 . 5.373 44.118 45.672 1 35.66 ? OG1 THR A 303 1 -ATOM 2298 C CG2 . THR A 1 303 . 6.781 43.426 47.395 1 32.95 ? CG2 THR A 303 1 -ATOM 2299 N N . SER A 1 304 . 6.179 45.353 49.634 1 19.64 ? N SER A 304 1 -ATOM 2300 C CA . SER A 1 304 . 6.777 46.036 50.737 1 22 ? CA SER A 304 1 -ATOM 2301 C C . SER A 1 304 . 7.647 47.171 50.223 1 20.4 ? C SER A 304 1 -ATOM 2302 O O . SER A 1 304 . 8.325 47.026 49.214 1 21.63 ? O SER A 304 1 -ATOM 2303 C CB . SER A 1 304 . 7.617 45.022 51.523 1 25.76 ? CB SER A 304 1 -ATOM 2304 O OG . SER A 1 304 . 8.746 44.583 50.764 1 28.88 ? OG SER A 304 1 -ATOM 2305 N N . LEU A 1 305 . 7.668 48.268 50.974 1 17.53 ? N LEU A 305 1 -ATOM 2306 C CA . LEU A 1 305 . 8.469 49.379 50.532 1 16.57 ? CA LEU A 305 1 -ATOM 2307 C C . LEU A 1 305 . 9.931 49.02 50.352 1 19.69 ? C LEU A 305 1 -ATOM 2308 O O . LEU A 1 305 . 10.656 49.623 49.579 1 24.75 ? O LEU A 305 1 -ATOM 2309 C CB . LEU A 1 305 . 8.384 50.527 51.537 1 12.69 ? CB LEU A 305 1 -ATOM 2310 C CG . LEU A 1 305 . 6.978 50.885 52.035 1 13 ? CG LEU A 305 1 -ATOM 2311 C CD1 . LEU A 1 305 . 7.04 52.244 52.743 1 15.7 ? CD1 LEU A 305 1 -ATOM 2312 C CD2 . LEU A 1 305 . 5.92 50.939 50.919 1 16.88 ? CD2 LEU A 305 1 -ATOM 2313 N N . GLU A 1 306 . 10.385 48.013 51.088 1 21.26 ? N GLU A 306 1 -ATOM 2314 C CA . GLU A 1 306 . 11.788 47.694 50.939 1 23.53 ? CA GLU A 306 1 -ATOM 2315 C C . GLU A 1 306 . 12.068 47.065 49.589 1 26.4 ? C GLU A 306 1 -ATOM 2316 O O . GLU A 1 306 . 13.099 47.362 48.988 1 26.99 ? O GLU A 306 1 -ATOM 2317 C CB . GLU A 1 306 . 12.304 46.861 52.115 1 27.54 ? CB GLU A 306 1 -ATOM 2318 C CG . GLU A 1 306 . 13.848 46.784 52.138 1 36.12 ? CG GLU A 306 1 -ATOM 2319 C CD . GLU A 1 306 . 14.553 48.135 52.349 1 42.13 ? CD GLU A 306 1 -ATOM 2320 O OE1 . GLU A 1 306 . 13.897 49.103 52.749 1 48.53 ? OE1 GLU A 306 1 -ATOM 2321 O OE2 . GLU A 1 306 . 15.763 48.207 52.113 1 41.09 ? OE2 GLU A 306 1 -ATOM 2322 N N . SER A 1 307 . 11.155 46.186 49.122 1 24.56 ? N SER A 307 1 -ATOM 2323 C CA . SER A 1 307 . 11.386 45.608 47.794 1 23.34 ? CA SER A 307 1 -ATOM 2324 C C . SER A 1 307 . 11.332 46.696 46.751 1 22.27 ? C SER A 307 1 -ATOM 2325 O O . SER A 1 307 . 12.171 46.808 45.879 1 25.5 ? O SER A 307 1 -ATOM 2326 C CB . SER A 1 307 . 10.291 44.624 47.401 1 25.32 ? CB SER A 307 1 -ATOM 2327 O OG . SER A 1 307 . 10.486 43.433 48.131 1 35.53 ? OG SER A 307 1 -ATOM 2328 N N . MET A 1 308 . 10.309 47.54 46.867 1 18.81 ? N MET A 308 1 -ATOM 2329 C CA . MET A 1 308 . 10.191 48.616 45.913 1 14.66 ? CA MET A 308 1 -ATOM 2330 C C . MET A 1 308 . 11.475 49.436 45.845 1 16.78 ? C MET A 308 1 -ATOM 2331 O O . MET A 1 308 . 12.003 49.676 44.766 1 18.54 ? O MET A 308 1 -ATOM 2332 C CB . MET A 1 308 . 8.931 49.437 46.194 1 10.18 ? CB MET A 308 1 -ATOM 2333 C CG . MET A 1 308 . 7.683 48.546 46.106 1 9.23 ? CG MET A 308 1 -ATOM 2334 S SD . MET A 1 308 . 6.168 49.53 46.289 1 18.45 ? SD MET A 308 1 -ATOM 2335 C CE . MET A 1 308 . 6.091 50.363 44.685 1 12.01 ? CE MET A 308 1 -ATOM 2336 N N . LEU A 1 309 . 11.991 49.825 47.011 1 16.99 ? N LEU A 309 1 -ATOM 2337 C CA . LEU A 1 309 . 13.222 50.592 46.993 1 17.95 ? CA LEU A 309 1 -ATOM 2338 C C . LEU A 1 309 . 14.345 49.795 46.357 1 17.65 ? C LEU A 309 1 -ATOM 2339 O O . LEU A 1 309 . 15.151 50.301 45.592 1 16.1 ? O LEU A 309 1 -ATOM 2340 C CB . LEU A 1 309 . 13.666 51.032 48.407 1 17.08 ? CB LEU A 309 1 -ATOM 2341 C CG . LEU A 1 309 . 12.687 52.013 49.072 1 19.36 ? CG LEU A 309 1 -ATOM 2342 C CD1 . LEU A 1 309 . 12.952 52.089 50.571 1 21.6 ? CD1 LEU A 309 1 -ATOM 2343 C CD2 . LEU A 1 309 . 12.728 53.417 48.462 1 21.39 ? CD2 LEU A 309 1 -ATOM 2344 N N . ASN A 1 310 . 14.386 48.511 46.68 1 21 ? N ASN A 310 1 -ATOM 2345 C CA . ASN A 1 310 . 15.469 47.696 46.131 1 24.25 ? CA ASN A 310 1 -ATOM 2346 C C . ASN A 1 310 . 15.341 47.42 44.651 1 23.67 ? C ASN A 310 1 -ATOM 2347 O O . ASN A 1 310 . 16.341 47.175 43.994 1 28.49 ? O ASN A 310 1 -ATOM 2348 C CB . ASN A 1 310 . 15.643 46.361 46.879 1 22.68 ? CB ASN A 310 1 -ATOM 2349 N N . SER A 1 311 . 14.126 47.47 44.12 1 22.33 ? N SER A 311 1 -ATOM 2350 C CA . SER A 1 311 . 13.956 47.185 42.7 1 20.64 ? CA SER A 311 1 -ATOM 2351 C C . SER A 1 311 . 13.793 48.386 41.819 1 19.56 ? C SER A 311 1 -ATOM 2352 O O . SER A 1 311 . 13.63 48.256 40.625 1 23.99 ? O SER A 311 1 -ATOM 2353 C CB . SER A 1 311 . 12.68 46.37 42.501 1 17.52 ? CB SER A 311 1 -ATOM 2354 O OG . SER A 1 311 . 12.759 45.201 43.314 1 28.32 ? OG SER A 311 1 -ATOM 2355 N N . GLY A 1 312 . 13.792 49.586 42.366 1 22.66 ? N GLY A 312 1 -ATOM 2356 C CA . GLY A 1 312 . 13.59 50.708 41.45 1 16.05 ? CA GLY A 312 1 -ATOM 2357 C C . GLY A 1 312 . 12.176 50.853 41.018 1 15.93 ? C GLY A 312 1 -ATOM 2358 O O . GLY A 1 312 . 11.823 51.512 40.05 1 16.26 ? O GLY A 312 1 -ATOM 2359 N N . ASN A 1 313 . 11.317 50.212 41.788 1 13.55 ? N ASN A 313 1 -ATOM 2360 C CA . ASN A 1 313 . 9.934 50.273 41.428 1 12.79 ? CA ASN A 313 1 -ATOM 2361 C C . ASN A 1 313 . 9.345 51.562 41.939 1 14.18 ? C ASN A 313 1 -ATOM 2362 O O . ASN A 1 313 . 8.511 51.543 42.827 1 17.05 ? O ASN A 313 1 -ATOM 2363 C CB . ASN A 1 313 . 9.246 49.058 42.036 1 9.57 ? CB ASN A 313 1 -ATOM 2364 C CG . ASN A 1 313 . 7.795 48.867 41.661 1 9.15 ? CG ASN A 313 1 -ATOM 2365 O OD1 . ASN A 1 313 . 7.154 47.935 42.126 1 17.83 ? OD1 ASN A 313 1 -ATOM 2366 N ND2 . ASN A 1 313 . 7.261 49.725 40.809 1 7.64 ? ND2 ASN A 313 1 -ATOM 2367 N N . PHE A 1 314 . 9.769 52.687 41.365 1 12.17 ? N PHE A 314 1 -ATOM 2368 C CA . PHE A 1 314 . 9.246 53.96 41.811 1 11.47 ? CA PHE A 314 1 -ATOM 2369 C C . PHE A 1 314 . 9.491 55.002 40.742 1 9.09 ? C PHE A 314 1 -ATOM 2370 O O . PHE A 1 314 . 10.292 54.813 39.841 1 11.88 ? O PHE A 314 1 -ATOM 2371 C CB . PHE A 1 314 . 9.927 54.378 43.142 1 8.27 ? CB PHE A 314 1 -ATOM 2372 C CG . PHE A 1 314 . 11.439 54.212 43.19 1 5.34 ? CG PHE A 314 1 -ATOM 2373 C CD1 . PHE A 1 314 . 12.275 55.125 42.522 1 5.5 ? CD1 PHE A 314 1 -ATOM 2374 C CD2 . PHE A 1 314 . 12.032 53.161 43.921 1 6.88 ? CD2 PHE A 314 1 -ATOM 2375 C CE1 . PHE A 1 314 . 13.67 55.013 42.589 1 5.64 ? CE1 PHE A 314 1 -ATOM 2376 C CE2 . PHE A 1 314 . 13.434 53.046 43.99 1 6.23 ? CE2 PHE A 314 1 -ATOM 2377 C CZ . PHE A 1 314 . 14.252 53.974 43.326 1 8.11 ? CZ PHE A 314 1 -ATOM 2378 N N . LYS A 1 315 . 8.78 56.117 40.865 1 6.19 ? N LYS A 315 1 -ATOM 2379 C CA . LYS A 1 315 . 8.949 57.212 39.93 1 5.55 ? CA LYS A 315 1 -ATOM 2380 C C . LYS A 1 315 . 10.401 57.689 39.991 1 8.59 ? C LYS A 315 1 -ATOM 2381 O O . LYS A 1 315 . 10.94 57.798 41.078 1 11.14 ? O LYS A 315 1 -ATOM 2382 C CB . LYS A 1 315 . 8.034 58.359 40.375 1 2 ? CB LYS A 315 1 -ATOM 2383 C CG . LYS A 1 315 . 7.791 59.418 39.309 1 2 ? CG LYS A 315 1 -ATOM 2384 C CD . LYS A 1 315 . 6.984 60.602 39.844 1 5.62 ? CD LYS A 315 1 -ATOM 2385 C CE . LYS A 1 315 . 7.012 61.841 38.941 1 2.23 ? CE LYS A 315 1 -ATOM 2386 N NZ . LYS A 1 315 . 6.314 61.584 37.702 1 7.21 ? NZ LYS A 315 1 -ATOM 2387 N N . LYS A 1 316 . 11.009 57.995 38.832 1 11.74 ? N LYS A 316 1 -ATOM 2388 C CA . LYS A 1 316 . 12.404 58.456 38.78 1 11.54 ? CA LYS A 316 1 -ATOM 2389 C C . LYS A 1 316 . 12.451 59.858 38.24 1 13.56 ? C LYS A 316 1 -ATOM 2390 O O . LYS A 1 316 . 12.348 60.074 37.049 1 20.69 ? O LYS A 316 1 -ATOM 2391 C CB . LYS A 1 316 . 13.171 57.521 37.864 1 8.26 ? CB LYS A 316 1 -ATOM 2392 C CG . LYS A 1 316 . 13.127 56.119 38.485 1 16.81 ? CG LYS A 316 1 -ATOM 2393 C CD . LYS A 1 316 . 13.289 54.969 37.505 1 20.85 ? CD LYS A 316 1 -ATOM 2394 C CE . LYS A 1 316 . 12.902 53.663 38.201 1 26.47 ? CE LYS A 316 1 -ATOM 2395 N NZ . LYS A 1 316 . 13.286 52.521 37.401 1 38.01 ? NZ LYS A 316 1 -ATOM 2396 N N . THR A 1 317 . 12.594 60.814 39.134 1 14.01 ? N THR A 317 1 -ATOM 2397 C CA . THR A 1 317 . 12.652 62.244 38.864 1 9.79 ? CA THR A 317 1 -ATOM 2398 C C . THR A 1 317 . 13.686 62.692 39.841 1 10.09 ? C THR A 317 1 -ATOM 2399 O O . THR A 1 317 . 14.387 61.834 40.377 1 14.11 ? O THR A 317 1 -ATOM 2400 C CB . THR A 1 317 . 11.268 62.826 39.158 1 8.4 ? CB THR A 317 1 -ATOM 2401 O OG1 . THR A 1 317 . 11.163 64.217 38.919 1 3.2 ? OG1 THR A 317 1 -ATOM 2402 C CG2 . THR A 1 317 . 10.726 62.508 40.561 1 13.38 ? CG2 THR A 317 1 -ATOM 2403 N N . GLN A 1 318 . 13.803 63.988 40.092 1 6.37 ? N GLN A 318 1 -ATOM 2404 C CA . GLN A 1 318 . 14.777 64.42 41.073 1 12.87 ? CA GLN A 318 1 -ATOM 2405 C C . GLN A 1 318 . 13.988 64.827 42.278 1 14.14 ? C GLN A 318 1 -ATOM 2406 O O . GLN A 1 318 . 12.856 65.269 42.127 1 16.56 ? O GLN A 318 1 -ATOM 2407 C CB . GLN A 1 318 . 15.678 65.574 40.599 1 15.58 ? CB GLN A 318 1 -ATOM 2408 C CG . GLN A 1 318 . 14.988 66.667 39.762 1 19.31 ? CG GLN A 318 1 -ATOM 2409 C CD . GLN A 1 318 . 14.54 66.13 38.419 1 22.16 ? CD GLN A 318 1 -ATOM 2410 O OE1 . GLN A 1 318 . 13.369 66.144 38.104 1 23.76 ? OE1 GLN A 318 1 -ATOM 2411 N NE2 . GLN A 1 318 . 15.466 65.585 37.653 1 23.65 ? NE2 GLN A 318 1 -ATOM 2412 N N . ILE A 1 319 . 14.601 64.668 43.46 1 14.51 ? N ILE A 319 1 -ATOM 2413 C CA . ILE A 1 319 . 13.962 65.028 44.715 1 13.89 ? CA ILE A 319 1 -ATOM 2414 C C . ILE A 1 319 . 14.935 65.892 45.481 1 13.76 ? C ILE A 319 1 -ATOM 2415 O O . ILE A 1 319 . 16.143 65.848 45.224 1 15.41 ? O ILE A 319 1 -ATOM 2416 C CB . ILE A 1 319 . 13.606 63.764 45.533 1 8.68 ? CB ILE A 319 1 -ATOM 2417 C CG1 . ILE A 1 319 . 14.81 62.833 45.701 1 9.47 ? CG1 ILE A 319 1 -ATOM 2418 C CG2 . ILE A 1 319 . 12.439 63.029 44.879 1 8.02 ? CG2 ILE A 319 1 -ATOM 2419 C CD1 . ILE A 1 319 . 14.535 61.645 46.616 1 10.02 ? CD1 ILE A 319 1 -ATOM 2420 N N . LEU A 1 320 . 14.374 66.653 46.433 1 12.95 ? N LEU A 320 1 -ATOM 2421 C CA . LEU A 1 320 . 15.133 67.534 47.325 1 13.55 ? CA LEU A 320 1 -ATOM 2422 C C . LEU A 1 320 . 14.604 67.179 48.708 1 16.92 ? C LEU A 320 1 -ATOM 2423 O O . LEU A 1 320 . 13.402 67.3 48.938 1 17.93 ? O LEU A 320 1 -ATOM 2424 C CB . LEU A 1 320 . 14.885 68.995 46.946 1 10.04 ? CB LEU A 320 1 -ATOM 2425 C CG . LEU A 1 320 . 15.616 70.015 47.806 1 2.89 ? CG LEU A 320 1 -ATOM 2426 C CD1 . LEU A 1 320 . 15.902 71.283 46.999 1 2 ? CD1 LEU A 320 1 -ATOM 2427 C CD2 . LEU A 1 320 . 14.777 70.365 49.034 1 2 ? CD2 LEU A 320 1 -ATOM 2428 N N . LEU A 1 321 . 15.471 66.724 49.628 1 19.13 ? N LEU A 321 1 -ATOM 2429 C CA . LEU A 1 321 . 14.983 66.334 50.959 1 20.76 ? CA LEU A 321 1 -ATOM 2430 C C . LEU A 1 321 . 15.948 66.716 52.073 1 21.85 ? C LEU A 321 1 -ATOM 2431 O O . LEU A 1 321 . 17.08 67.123 51.823 1 21.77 ? O LEU A 321 1 -ATOM 2432 C CB . LEU A 1 321 . 14.567 64.848 50.994 1 13.85 ? CB LEU A 321 1 -ATOM 2433 C CG . LEU A 1 321 . 15.662 63.771 50.878 1 10.01 ? CG LEU A 321 1 -ATOM 2434 C CD1 . LEU A 1 321 . 14.969 62.419 50.669 1 14.33 ? CD1 LEU A 321 1 -ATOM 2435 C CD2 . LEU A 1 321 . 16.697 64.033 49.786 1 12.34 ? CD2 LEU A 321 1 -ATOM 2436 N N . GLY A 1 322 . 15.474 66.606 53.323 1 20.68 ? N GLY A 322 1 -ATOM 2437 C CA . GLY A 1 322 . 16.364 66.975 54.413 1 21.02 ? CA GLY A 322 1 -ATOM 2438 C C . GLY A 1 322 . 15.837 66.67 55.788 1 20.39 ? C GLY A 322 1 -ATOM 2439 O O . GLY A 1 322 . 14.748 66.148 56.012 1 17.65 ? O GLY A 322 1 -ATOM 2440 N N . VAL A 1 323 . 16.676 67.039 56.737 1 19.21 ? N VAL A 323 1 -ATOM 2441 C CA . VAL A 1 323 . 16.454 66.802 58.135 1 16.39 ? CA VAL A 323 1 -ATOM 2442 C C . VAL A 1 323 . 16.833 68.06 58.918 1 18.43 ? C VAL A 323 1 -ATOM 2443 O O . VAL A 1 323 . 17.569 68.917 58.453 1 21.23 ? O VAL A 323 1 -ATOM 2444 C CB . VAL A 1 323 . 17.385 65.595 58.39 1 13.97 ? CB VAL A 323 1 -ATOM 2445 C CG1 . VAL A 1 323 . 18.247 65.66 59.636 1 22.44 ? CG1 VAL A 323 1 -ATOM 2446 C CG2 . VAL A 1 323 . 16.668 64.246 58.256 1 12.08 ? CG2 VAL A 323 1 -ATOM 2447 N N . ASN A 1 324 . 16.312 68.13 60.14 1 19.64 ? N ASN A 324 1 -ATOM 2448 C CA . ASN A 1 324 . 16.576 69.232 61.065 1 20.25 ? CA ASN A 324 1 -ATOM 2449 C C . ASN A 1 324 . 17.483 68.638 62.123 1 18.45 ? C ASN A 324 1 -ATOM 2450 O O . ASN A 1 324 . 17.417 67.451 62.429 1 17.84 ? O ASN A 324 1 -ATOM 2451 C CB . ASN A 1 324 . 15.325 69.717 61.812 1 22.56 ? CB ASN A 324 1 -ATOM 2452 C CG . ASN A 1 324 . 14.487 70.641 60.991 1 27.51 ? CG ASN A 324 1 -ATOM 2453 O OD1 . ASN A 1 324 . 14.739 70.895 59.826 1 37.47 ? OD1 ASN A 324 1 -ATOM 2454 N ND2 . ASN A 1 324 . 13.44 71.163 61.614 1 29.83 ? ND2 ASN A 324 1 -ATOM 2455 N N . LYS A 1 325 . 18.277 69.49 62.736 1 16.85 ? N LYS A 325 1 -ATOM 2456 C CA . LYS A 1 325 . 19.209 69.004 63.749 1 18.86 ? CA LYS A 325 1 -ATOM 2457 C C . LYS A 1 325 . 18.633 68.269 64.972 1 19.76 ? C LYS A 325 1 -ATOM 2458 O O . LYS A 1 325 . 19.155 67.238 65.376 1 22.32 ? O LYS A 325 1 -ATOM 2459 C CB . LYS A 1 325 . 20.041 70.206 64.203 1 19.84 ? CB LYS A 325 1 -ATOM 2460 C CG . LYS A 1 325 . 21.235 69.913 65.106 1 18.37 ? CG LYS A 325 1 -ATOM 2461 C CD . LYS A 1 325 . 21.879 71.216 65.602 1 23.69 ? CD LYS A 325 1 -ATOM 2462 C CE . LYS A 1 325 . 22.953 70.945 66.686 1 31.93 ? CE LYS A 325 1 -ATOM 2463 N N . ASP A 1 326 . 17.564 68.8 65.589 1 19 ? N ASP A 326 1 -ATOM 2464 C CA . ASP A 1 326 . 16.997 68.168 66.786 1 15.13 ? CA ASP A 326 1 -ATOM 2465 C C . ASP A 1 326 . 15.582 67.685 66.541 1 15.41 ? C ASP A 326 1 -ATOM 2466 O O . ASP A 1 326 . 14.554 68.246 66.915 1 17.38 ? O ASP A 326 1 -ATOM 2467 C CB . ASP A 1 326 . 17.045 69.147 67.964 1 14.86 ? CB ASP A 326 1 -ATOM 2468 C CG . ASP A 1 326 . 18.481 69.585 68.202 1 15.21 ? CG ASP A 326 1 -ATOM 2469 O OD1 . ASP A 1 326 . 19.246 68.787 68.744 1 12.3 ? OD1 ASP A 326 1 -ATOM 2470 O OD2 . ASP A 1 326 . 18.837 70.705 67.836 1 17.21 ? OD2 ASP A 326 1 -ATOM 2471 N N . GLU A 1 327 . 15.548 66.544 65.869 1 15.52 ? N GLU A 327 1 -ATOM 2472 C CA . GLU A 1 327 . 14.229 66.004 65.564 1 13.42 ? CA GLU A 327 1 -ATOM 2473 C C . GLU A 1 327 . 13.532 65.379 66.751 1 10.57 ? C GLU A 327 1 -ATOM 2474 O O . GLU A 1 327 . 12.316 65.3 66.771 1 9.81 ? O GLU A 327 1 -ATOM 2475 C CB . GLU A 1 327 . 14.333 64.889 64.496 1 17.15 ? CB GLU A 327 1 -ATOM 2476 C CG . GLU A 1 327 . 14.964 65.334 63.166 1 18.52 ? CG GLU A 327 1 -ATOM 2477 C CD . GLU A 1 327 . 13.97 66.056 62.282 1 19.62 ? CD GLU A 327 1 -ATOM 2478 O OE1 . GLU A 1 327 . 12.931 66.484 62.781 1 21.93 ? OE1 GLU A 327 1 -ATOM 2479 O OE2 . GLU A 1 327 . 14.237 66.179 61.09 1 16.45 ? OE2 GLU A 327 1 -ATOM 2480 N N . GLY A 1 328 . 14.326 64.899 67.718 1 11.45 ? N GLY A 328 1 -ATOM 2481 C CA . GLY A 1 328 . 13.742 64.223 68.891 1 9.29 ? CA GLY A 328 1 -ATOM 2482 C C . GLY A 1 328 . 13.019 65.075 69.925 1 5.98 ? C GLY A 328 1 -ATOM 2483 O O . GLY A 1 328 . 11.947 64.733 70.402 1 5.07 ? O GLY A 328 1 -ATOM 2484 N N . SER A 1 329 . 13.605 66.213 70.25 1 4.05 ? N SER A 329 1 -ATOM 2485 C CA . SER A 1 329 . 13.07 67.137 71.237 1 6.39 ? CA SER A 329 1 -ATOM 2486 C C . SER A 1 329 . 11.602 67.111 71.523 1 9.36 ? C SER A 329 1 -ATOM 2487 O O . SER A 1 329 . 11.178 66.831 72.631 1 15.58 ? O SER A 329 1 -ATOM 2488 C CB . SER A 1 329 . 13.402 68.587 70.876 1 4.71 ? CB SER A 329 1 -ATOM 2489 O OG . SER A 1 329 . 14.743 68.55 70.442 1 15.15 ? OG SER A 329 1 -ATOM 2490 N N . PHE A 1 330 . 10.831 67.435 70.503 1 10.03 ? N PHE A 330 1 -ATOM 2491 C CA . PHE A 1 330 . 9.388 67.504 70.67 1 9.24 ? CA PHE A 330 1 -ATOM 2492 C C . PHE A 1 330 . 8.801 66.222 71.233 1 11.37 ? C PHE A 330 1 -ATOM 2493 O O . PHE A 1 330 . 7.995 66.25 72.151 1 14.67 ? O PHE A 330 1 -ATOM 2494 C CB . PHE A 1 330 . 8.797 67.941 69.31 1 9.9 ? CB PHE A 330 1 -ATOM 2495 C CG . PHE A 1 330 . 7.361 67.57 69.09 1 5.23 ? CG PHE A 330 1 -ATOM 2496 C CD1 . PHE A 1 330 . 6.355 68.074 69.932 1 7.49 ? CD1 PHE A 330 1 -ATOM 2497 C CD2 . PHE A 1 330 . 7.029 66.699 68.05 1 2 ? CD2 PHE A 330 1 -ATOM 2498 C CE1 . PHE A 1 330 . 5.016 67.694 69.746 1 5.45 ? CE1 PHE A 330 1 -ATOM 2499 C CE2 . PHE A 1 330 . 5.702 66.309 67.869 1 6.92 ? CE2 PHE A 330 1 -ATOM 2500 C CZ . PHE A 1 330 . 4.692 66.803 68.719 1 7.06 ? CZ PHE A 330 1 -ATOM 2501 N N . PHE A 1 331 . 9.253 65.093 70.703 1 10.22 ? N PHE A 331 1 -ATOM 2502 C CA . PHE A 1 331 . 8.704 63.827 71.186 1 9.49 ? CA PHE A 331 1 -ATOM 2503 C C . PHE A 1 331 . 9.104 63.55 72.605 1 10.53 ? C PHE A 331 1 -ATOM 2504 O O . PHE A 1 331 . 8.302 63.082 73.401 1 18.03 ? O PHE A 331 1 -ATOM 2505 C CB . PHE A 1 331 . 9.108 62.653 70.283 1 5.51 ? CB PHE A 331 1 -ATOM 2506 C CG . PHE A 1 331 . 8.718 62.957 68.87 1 7.87 ? CG PHE A 331 1 -ATOM 2507 C CD1 . PHE A 1 331 . 9.586 63.696 68.044 1 9.94 ? CD1 PHE A 331 1 -ATOM 2508 C CD2 . PHE A 1 331 . 7.436 62.607 68.414 1 7.15 ? CD2 PHE A 331 1 -ATOM 2509 C CE1 . PHE A 1 331 . 9.155 64.126 66.787 1 9.44 ? CE1 PHE A 331 1 -ATOM 2510 C CE2 . PHE A 1 331 . 7.007 63.035 67.154 1 9.46 ? CE2 PHE A 331 1 -ATOM 2511 C CZ . PHE A 1 331 . 7.863 63.8 66.344 1 11.59 ? CZ PHE A 331 1 -ATOM 2512 N N . LEU A 1 332 . 10.375 63.847 72.918 1 9.05 ? N LEU A 332 1 -ATOM 2513 C CA . LEU A 1 332 . 10.84 63.607 74.285 1 7.07 ? CA LEU A 332 1 -ATOM 2514 C C . LEU A 1 332 . 10.027 64.468 75.245 1 7.31 ? C LEU A 332 1 -ATOM 2515 O O . LEU A 1 332 . 9.32 63.979 76.117 1 5.4 ? O LEU A 332 1 -ATOM 2516 C CB . LEU A 1 332 . 12.349 63.825 74.423 1 2 ? CB LEU A 332 1 -ATOM 2517 C CG . LEU A 1 332 . 13.172 62.733 73.743 1 2 ? CG LEU A 332 1 -ATOM 2518 C CD1 . LEU A 1 332 . 14.622 63.164 73.595 1 2 ? CD1 LEU A 332 1 -ATOM 2519 C CD2 . LEU A 1 332 . 13.094 61.403 74.488 1 2 ? CD2 LEU A 332 1 -ATOM 2520 N N . LEU A 1 333 . 10.102 65.774 75.008 1 4.82 ? N LEU A 333 1 -ATOM 2521 C CA . LEU A 1 333 . 9.359 66.732 75.799 1 4.67 ? CA LEU A 333 1 -ATOM 2522 C C . LEU A 1 333 . 7.899 66.344 76.002 1 6.42 ? C LEU A 333 1 -ATOM 2523 O O . LEU A 1 333 . 7.33 66.523 77.071 1 13.53 ? O LEU A 333 1 -ATOM 2524 C CB . LEU A 1 333 . 9.46 68.073 75.079 1 6.73 ? CB LEU A 333 1 -ATOM 2525 C CG . LEU A 1 333 . 8.757 69.31 75.682 1 8.9 ? CG LEU A 333 1 -ATOM 2526 C CD1 . LEU A 1 333 . 7.382 69.539 75.101 1 9.01 ? CD1 LEU A 333 1 -ATOM 2527 C CD2 . LEU A 1 333 . 8.713 69.365 77.212 1 12.87 ? CD2 LEU A 333 1 -ATOM 2528 N N . TYR A 1 334 . 7.28 65.785 74.975 1 6.07 ? N TYR A 334 1 -ATOM 2529 C CA . TYR A 1 334 . 5.871 65.437 75.152 1 6.57 ? CA TYR A 334 1 -ATOM 2530 C C . TYR A 1 334 . 5.629 64.108 75.786 1 6.32 ? C TYR A 334 1 -ATOM 2531 O O . TYR A 1 334 . 4.517 63.901 76.249 1 8.62 ? O TYR A 334 1 -ATOM 2532 C CB . TYR A 1 334 . 5.054 65.477 73.835 1 5.74 ? CB TYR A 334 1 -ATOM 2533 C CG . TYR A 1 334 . 4.521 66.852 73.512 1 2 ? CG TYR A 334 1 -ATOM 2534 C CD1 . TYR A 1 334 . 5.409 67.907 73.254 1 2 ? CD1 TYR A 334 1 -ATOM 2535 C CD2 . TYR A 1 334 . 3.137 67.079 73.46 1 2 ? CD2 TYR A 334 1 -ATOM 2536 C CE1 . TYR A 1 334 . 4.912 69.181 72.946 1 5.08 ? CE1 TYR A 334 1 -ATOM 2537 C CE2 . TYR A 1 334 . 2.633 68.349 73.155 1 2 ? CE2 TYR A 334 1 -ATOM 2538 C CZ . TYR A 1 334 . 3.521 69.399 72.89 1 4.53 ? CZ TYR A 334 1 -ATOM 2539 O OH . TYR A 1 334 . 3.049 70.651 72.554 1 11.53 ? OH TYR A 334 1 -ATOM 2540 N N . GLY A 1 335 . 6.595 63.194 75.819 1 6.87 ? N GLY A 335 1 -ATOM 2541 C CA . GLY A 1 335 . 6.176 61.96 76.48 1 7.35 ? CA GLY A 335 1 -ATOM 2542 C C . GLY A 1 335 . 7.252 61.095 77.07 1 9.23 ? C GLY A 335 1 -ATOM 2543 O O . GLY A 1 335 . 7.053 59.912 77.296 1 7.96 ? O GLY A 335 1 -ATOM 2544 N N . ALA A 1 336 . 8.413 61.661 77.332 1 10.09 ? N ALA A 336 1 -ATOM 2545 C CA . ALA A 1 336 . 9.487 60.899 77.92 1 11.9 ? CA ALA A 336 1 -ATOM 2546 C C . ALA A 1 336 . 9.673 61.485 79.315 1 15.96 ? C ALA A 336 1 -ATOM 2547 O O . ALA A 1 336 . 9.58 62.702 79.5 1 18.28 ? O ALA A 336 1 -ATOM 2548 C CB . ALA A 1 336 . 10.768 61.057 77.107 1 15.83 ? CB ALA A 336 1 -ATOM 2549 N N . PRO A 1 337 . 9.904 60.61 80.308 1 15.53 ? N PRO A 337 1 -ATOM 2550 C CA . PRO A 1 337 . 9.985 61.082 81.683 1 14.25 ? CA PRO A 337 1 -ATOM 2551 C C . PRO A 1 337 . 11.283 61.808 82.017 1 15.93 ? C PRO A 337 1 -ATOM 2552 O O . PRO A 1 337 . 12.366 61.243 81.891 1 15.63 ? O PRO A 337 1 -ATOM 2553 C CB . PRO A 1 337 . 9.91 59.789 82.5 1 16.93 ? CB PRO A 337 1 -ATOM 2554 C CG . PRO A 1 337 . 10.331 58.651 81.553 1 17.25 ? CG PRO A 337 1 -ATOM 2555 C CD . PRO A 1 337 . 9.995 59.158 80.154 1 17.55 ? CD PRO A 337 1 -ATOM 2556 N N . GLY A 1 338 . 11.154 63.059 82.479 1 14.88 ? N GLY A 338 1 -ATOM 2557 C CA . GLY A 1 338 . 12.336 63.815 82.855 1 14.54 ? CA GLY A 338 1 -ATOM 2558 C C . GLY A 1 338 . 12.454 65.113 82.127 1 17.81 ? C GLY A 338 1 -ATOM 2559 O O . GLY A 1 338 . 13.127 66.053 82.554 1 22.81 ? O GLY A 338 1 -ATOM 2560 N N . PHE A 1 339 . 11.757 65.184 80.999 1 19.32 ? N PHE A 339 1 -ATOM 2561 C CA . PHE A 1 339 . 11.838 66.393 80.199 1 13.96 ? CA PHE A 339 1 -ATOM 2562 C C . PHE A 1 339 . 10.696 67.272 80.539 1 13.96 ? C PHE A 339 1 -ATOM 2563 O O . PHE A 1 339 . 9.606 66.77 80.776 1 22.31 ? O PHE A 339 1 -ATOM 2564 C CB . PHE A 1 339 . 11.708 66.044 78.717 1 10.64 ? CB PHE A 339 1 -ATOM 2565 C CG . PHE A 1 339 . 12.837 65.169 78.27 1 3.88 ? CG PHE A 339 1 -ATOM 2566 C CD1 . PHE A 1 339 . 12.76 63.776 78.437 1 2.63 ? CD1 PHE A 339 1 -ATOM 2567 C CD2 . PHE A 1 339 . 13.967 65.743 77.68 1 2 ? CD2 PHE A 339 1 -ATOM 2568 C CE1 . PHE A 1 339 . 13.811 62.968 78.001 1 2.88 ? CE1 PHE A 339 1 -ATOM 2569 C CE2 . PHE A 1 339 . 15.001 64.936 77.218 1 2 ? CE2 PHE A 339 1 -ATOM 2570 C CZ . PHE A 1 339 . 14.928 63.553 77.384 1 2 ? CZ PHE A 339 1 -ATOM 2571 N N . SER A 1 340 . 10.907 68.57 80.551 1 5.93 ? N SER A 340 1 -ATOM 2572 C CA . SER A 1 340 . 9.788 69.412 80.861 1 8.24 ? CA SER A 340 1 -ATOM 2573 C C . SER A 1 340 . 10.176 70.702 80.211 1 9.54 ? C SER A 340 1 -ATOM 2574 O O . SER A 1 340 . 11.351 71.018 80.104 1 12.25 ? O SER A 340 1 -ATOM 2575 C CB . SER A 1 340 . 9.52 69.474 82.37 1 13.24 ? CB SER A 340 1 -ATOM 2576 O OG . SER A 1 340 . 10.769 69.483 83.055 1 20.34 ? OG SER A 340 1 -ATOM 2577 N N . LYS A 1 341 . 9.165 71.447 79.776 1 8.55 ? N LYS A 341 1 -ATOM 2578 C CA . LYS A 1 341 . 9.393 72.688 79.084 1 6.09 ? CA LYS A 341 1 -ATOM 2579 C C . LYS A 1 341 . 10.149 73.771 79.809 1 10.8 ? C LYS A 341 1 -ATOM 2580 O O . LYS A 1 341 . 10.918 74.49 79.193 1 16.03 ? O LYS A 341 1 -ATOM 2581 C CB . LYS A 1 341 . 8.028 73.295 78.73 1 8.3 ? CB LYS A 341 1 -ATOM 2582 C CG . LYS A 1 341 . 8.154 74.489 77.781 1 12.38 ? CG LYS A 341 1 -ATOM 2583 C CD . LYS A 1 341 . 6.811 75.078 77.352 1 17.57 ? CD LYS A 341 1 -ATOM 2584 C CE . LYS A 1 341 . 6.425 76.349 78.108 1 20.78 ? CE LYS A 341 1 -ATOM 2585 N NZ . LYS A 1 341 . 5.582 75.995 79.23 1 27.83 ? NZ LYS A 341 1 -ATOM 2586 N N . ASP A 1 342 . 9.896 73.931 81.115 1 11.84 ? N ASP A 342 1 -ATOM 2587 C CA . ASP A 1 342 . 10.561 75.064 81.769 1 10.44 ? CA ASP A 342 1 -ATOM 2588 C C . ASP A 1 342 . 11.803 74.749 82.55 1 11.23 ? C ASP A 342 1 -ATOM 2589 O O . ASP A 1 342 . 12.316 75.581 83.279 1 11.16 ? O ASP A 342 1 -ATOM 2590 C CB . ASP A 1 342 . 9.553 75.748 82.683 1 13.39 ? CB ASP A 342 1 -ATOM 2591 C CG . ASP A 1 342 . 8.298 76.132 81.915 1 18.79 ? CG ASP A 342 1 -ATOM 2592 O OD1 . ASP A 1 342 . 8.437 76.553 80.772 1 19.02 ? OD1 ASP A 342 1 -ATOM 2593 O OD2 . ASP A 1 342 . 7.189 76.011 82.446 1 26.74 ? OD2 ASP A 342 1 -ATOM 2594 N N . SER A 1 343 . 12.27 73.537 82.398 1 12.35 ? N SER A 343 1 -ATOM 2595 C CA . SER A 1 343 . 13.432 73.038 83.083 1 13.1 ? CA SER A 343 1 -ATOM 2596 C C . SER A 1 343 . 14.442 72.8 81.979 1 14.58 ? C SER A 343 1 -ATOM 2597 O O . SER A 1 343 . 14.082 72.847 80.821 1 22.87 ? O SER A 343 1 -ATOM 2598 C CB . SER A 1 343 . 12.901 71.703 83.628 1 9.72 ? CB SER A 343 1 -ATOM 2599 O OG . SER A 1 343 . 13.862 70.896 84.288 1 24.12 ? OG SER A 343 1 -ATOM 2600 N N . GLU A 1 344 . 15.701 72.514 82.304 1 12.45 ? N GLU A 344 1 -ATOM 2601 C CA . GLU A 1 344 . 16.664 72.234 81.208 1 12.6 ? CA GLU A 344 1 -ATOM 2602 C C . GLU A 1 344 . 16.839 70.723 81.029 1 14.76 ? C GLU A 344 1 -ATOM 2603 O O . GLU A 1 344 . 17.855 70.186 80.595 1 12.18 ? O GLU A 344 1 -ATOM 2604 C CB . GLU A 1 344 . 18.042 72.927 81.38 1 16.85 ? CB GLU A 344 1 -ATOM 2605 C CG . GLU A 1 344 . 18.786 72.592 82.679 1 22.04 ? CG GLU A 344 1 -ATOM 2606 N N . SER A 1 345 . 15.812 70.055 81.504 1 14.52 ? N SER A 345 1 -ATOM 2607 C CA . SER A 1 345 . 15.761 68.621 81.409 1 17.55 ? CA SER A 345 1 -ATOM 2608 C C . SER A 1 345 . 17.032 67.777 81.415 1 20.59 ? C SER A 345 1 -ATOM 2609 O O . SER A 1 345 . 17.349 67.167 80.404 1 21.82 ? O SER A 345 1 -ATOM 2610 C CB . SER A 1 345 . 14.978 68.355 80.137 1 16.43 ? CB SER A 345 1 -ATOM 2611 O OG . SER A 1 345 . 13.731 69.049 80.314 1 18.13 ? OG SER A 345 1 -ATOM 2612 N N . LYS A 1 346 . 17.716 67.723 82.579 1 21.86 ? N LYS A 346 1 -ATOM 2613 C CA . LYS A 1 346 . 18.91 66.879 82.705 1 23.77 ? CA LYS A 346 1 -ATOM 2614 C C . LYS A 1 346 . 18.369 65.497 83.043 1 25 ? C LYS A 346 1 -ATOM 2615 O O . LYS A 1 346 . 17.66 65.332 84.033 1 29.16 ? O LYS A 346 1 -ATOM 2616 C CB . LYS A 1 346 . 19.81 67.439 83.801 1 24.4 ? CB LYS A 346 1 -ATOM 2617 C CG . LYS A 1 346 . 20.523 68.699 83.294 1 33.23 ? CG LYS A 346 1 -ATOM 2618 C CD . LYS A 1 346 . 21.118 69.581 84.404 1 39.97 ? CD LYS A 346 1 -ATOM 2619 C CE . LYS A 1 346 . 22.034 70.688 83.836 1 45.95 ? CE LYS A 346 1 -ATOM 2620 N NZ . LYS A 1 346 . 21.742 71.993 84.41 1 51.42 ? NZ LYS A 346 1 -ATOM 2621 N N . ILE A 1 347 . 18.678 64.494 82.229 1 25.23 ? N ILE A 347 1 -ATOM 2622 C CA . ILE A 1 347 . 18.097 63.181 82.513 1 24.86 ? CA ILE A 347 1 -ATOM 2623 C C . ILE A 1 347 . 19.087 62.314 83.248 1 24.84 ? C ILE A 347 1 -ATOM 2624 O O . ILE A 1 347 . 20.276 62.293 82.982 1 25.36 ? O ILE A 347 1 -ATOM 2625 C CB . ILE A 1 347 . 17.521 62.564 81.206 1 20.35 ? CB ILE A 347 1 -ATOM 2626 C CG1 . ILE A 1 347 . 16.094 63.087 80.926 1 19.69 ? CG1 ILE A 347 1 -ATOM 2627 C CG2 . ILE A 1 347 . 17.475 61.029 81.185 1 18.16 ? CG2 ILE A 347 1 -ATOM 2628 C CD1 . ILE A 1 347 . 15.975 64.597 80.697 1 12.3 ? CD1 ILE A 347 1 -ATOM 2629 N N . SER A 1 348 . 18.517 61.576 84.19 1 22.6 ? N SER A 348 1 -ATOM 2630 C CA . SER A 1 348 . 19.28 60.669 85.023 1 22.96 ? CA SER A 348 1 -ATOM 2631 C C . SER A 1 348 . 19.473 59.374 84.291 1 25.12 ? C SER A 348 1 -ATOM 2632 O O . SER A 1 348 . 18.705 59.101 83.376 1 29.86 ? O SER A 348 1 -ATOM 2633 C CB . SER A 1 348 . 18.412 60.381 86.27 1 22.94 ? CB SER A 348 1 -ATOM 2634 O OG . SER A 1 348 . 17.043 60.109 85.921 1 21.81 ? OG SER A 348 1 -ATOM 2635 N N . ARG A 1 349 . 20.421 58.52 84.727 1 26.78 ? N ARG A 349 1 -ATOM 2636 C CA . ARG A 1 349 . 20.509 57.267 83.982 1 26.44 ? CA ARG A 349 1 -ATOM 2637 C C . ARG A 1 349 . 19.252 56.469 84.092 1 23.3 ? C ARG A 349 1 -ATOM 2638 O O . ARG A 1 349 . 18.958 55.655 83.241 1 23.92 ? O ARG A 349 1 -ATOM 2639 C CB . ARG A 1 349 . 21.692 56.337 84.303 1 28.34 ? CB ARG A 349 1 -ATOM 2640 C CG . ARG A 1 349 . 23.027 56.81 83.672 1 39.36 ? CG ARG A 349 1 -ATOM 2641 C CD . ARG A 1 349 . 23.038 57.123 82.138 1 42.13 ? CD ARG A 349 1 -ATOM 2642 N NE . ARG A 1 349 . 23.855 56.244 81.299 1 42.13 ? NE ARG A 349 1 -ATOM 2643 C CZ . ARG A 1 349 . 23.557 54.954 81.069 1 43.18 ? CZ ARG A 349 1 -ATOM 2644 N NH1 . ARG A 1 349 . 22.555 54.338 81.691 1 44.85 ? NH1 ARG A 349 1 -ATOM 2645 N NH2 . ARG A 1 349 . 24.288 54.268 80.201 1 43.64 ? NH2 ARG A 349 1 -ATOM 2646 N N . GLU A 1 350 . 18.488 56.699 85.144 1 26.9 ? N GLU A 350 1 -ATOM 2647 C CA . GLU A 1 350 . 17.263 55.911 85.222 1 31.45 ? CA GLU A 350 1 -ATOM 2648 C C . GLU A 1 350 . 16.301 56.334 84.127 1 30.75 ? C GLU A 350 1 -ATOM 2649 O O . GLU A 1 350 . 15.825 55.539 83.332 1 33.01 ? O GLU A 350 1 -ATOM 2650 C CB . GLU A 1 350 . 16.599 55.97 86.622 1 35.7 ? CB GLU A 350 1 -ATOM 2651 C CG . GLU A 1 350 . 15.595 54.81 86.857 1 42.44 ? CG GLU A 350 1 -ATOM 2652 N N . ASP A 1 351 . 16.039 57.637 84.077 1 29.4 ? N ASP A 351 1 -ATOM 2653 C CA . ASP A 1 351 . 15.114 58.079 83.044 1 28.05 ? CA ASP A 351 1 -ATOM 2654 C C . ASP A 1 351 . 15.675 57.927 81.642 1 27.22 ? C ASP A 351 1 -ATOM 2655 O O . ASP A 1 351 . 14.95 57.87 80.655 1 30.6 ? O ASP A 351 1 -ATOM 2656 C CB . ASP A 1 351 . 14.65 59.51 83.302 1 28.99 ? CB ASP A 351 1 -ATOM 2657 C CG . ASP A 1 351 . 13.711 59.62 84.492 1 28.45 ? CG ASP A 351 1 -ATOM 2658 O OD1 . ASP A 1 351 . 12.964 58.665 84.744 1 26.02 ? OD1 ASP A 351 1 -ATOM 2659 O OD2 . ASP A 1 351 . 13.732 60.665 85.149 1 27.93 ? OD2 ASP A 351 1 -ATOM 2660 N N . PHE A 1 352 . 17.001 57.87 81.56 1 24.01 ? N PHE A 352 1 -ATOM 2661 C CA . PHE A 1 352 . 17.655 57.687 80.279 1 19.62 ? CA PHE A 352 1 -ATOM 2662 C C . PHE A 1 352 . 17.26 56.333 79.769 1 19.15 ? C PHE A 352 1 -ATOM 2663 O O . PHE A 1 352 . 16.744 56.171 78.675 1 25.45 ? O PHE A 352 1 -ATOM 2664 C CB . PHE A 1 352 . 19.18 57.737 80.436 1 18.2 ? CB PHE A 352 1 -ATOM 2665 C CG . PHE A 1 352 . 19.923 57.384 79.172 1 18.83 ? CG PHE A 352 1 -ATOM 2666 C CD1 . PHE A 1 352 . 20.242 58.377 78.231 1 21.32 ? CD1 PHE A 352 1 -ATOM 2667 C CD2 . PHE A 1 352 . 20.326 56.058 78.941 1 15.96 ? CD2 PHE A 352 1 -ATOM 2668 C CE1 . PHE A 1 352 . 20.986 58.048 77.086 1 21.96 ? CE1 PHE A 352 1 -ATOM 2669 C CE2 . PHE A 1 352 . 21.057 55.728 77.794 1 14.3 ? CE2 PHE A 352 1 -ATOM 2670 C CZ . PHE A 1 352 . 21.399 56.724 76.869 1 18.25 ? CZ PHE A 352 1 -ATOM 2671 N N . MET A 1 353 . 17.487 55.335 80.612 1 17.09 ? N MET A 353 1 -ATOM 2672 C CA . MET A 1 353 . 17.134 53.996 80.193 1 18.52 ? CA MET A 353 1 -ATOM 2673 C C . MET A 1 353 . 15.644 53.84 79.978 1 20.49 ? C MET A 353 1 -ATOM 2674 O O . MET A 1 353 . 15.198 53.013 79.189 1 19.81 ? O MET A 353 1 -ATOM 2675 C CB . MET A 1 353 . 17.754 52.953 81.11 1 19.65 ? CB MET A 353 1 -ATOM 2676 C CG . MET A 1 353 . 19.295 53.119 81.05 1 18.12 ? CG MET A 353 1 -ATOM 2677 N N . SER A 1 354 . 14.859 54.645 80.703 1 22.71 ? N SER A 354 1 -ATOM 2678 C CA . SER A 1 354 . 13.424 54.538 80.475 1 25.84 ? CA SER A 354 1 -ATOM 2679 C C . SER A 1 354 . 13.094 55.109 79.09 1 25.87 ? C SER A 354 1 -ATOM 2680 O O . SER A 1 354 . 12.221 54.666 78.352 1 28.42 ? O SER A 354 1 -ATOM 2681 C CB . SER A 1 354 . 12.633 55.339 81.526 1 27.61 ? CB SER A 354 1 -ATOM 2682 O OG . SER A 1 354 . 13.05 55.077 82.868 1 35.58 ? OG SER A 354 1 -ATOM 2683 N N . GLY A 1 355 . 13.847 56.145 78.754 1 23.04 ? N GLY A 355 1 -ATOM 2684 C CA . GLY A 1 355 . 13.632 56.789 77.491 1 20.76 ? CA GLY A 355 1 -ATOM 2685 C C . GLY A 1 355 . 13.913 55.887 76.33 1 20.74 ? C GLY A 355 1 -ATOM 2686 O O . GLY A 1 355 . 13.065 55.716 75.465 1 20.96 ? O GLY A 355 1 -ATOM 2687 N N . VAL A 1 356 . 15.118 55.281 76.33 1 16.58 ? N VAL A 356 1 -ATOM 2688 C CA . VAL A 1 356 . 15.436 54.406 75.221 1 12.8 ? CA VAL A 356 1 -ATOM 2689 C C . VAL A 1 356 . 14.445 53.285 75.072 1 12.89 ? C VAL A 356 1 -ATOM 2690 O O . VAL A 1 356 . 14.189 52.86 73.962 1 20.26 ? O VAL A 356 1 -ATOM 2691 C CB . VAL A 1 356 . 16.919 53.999 75.178 1 15.13 ? CB VAL A 356 1 -ATOM 2692 C CG1 . VAL A 1 356 . 17.576 53.882 76.541 1 11.98 ? CG1 VAL A 356 1 -ATOM 2693 C CG2 . VAL A 1 356 . 17.22 52.742 74.32 1 16.47 ? CG2 VAL A 356 1 -ATOM 2694 N N . LYS A 1 357 . 13.868 52.798 76.158 1 17.12 ? N LYS A 357 1 -ATOM 2695 C CA . LYS A 1 357 . 12.876 51.743 75.975 1 18.3 ? CA LYS A 357 1 -ATOM 2696 C C . LYS A 1 357 . 11.719 52.291 75.167 1 16.64 ? C LYS A 357 1 -ATOM 2697 O O . LYS A 1 357 . 11.169 51.615 74.316 1 20.77 ? O LYS A 357 1 -ATOM 2698 C CB . LYS A 1 357 . 12.315 51.214 77.311 1 23.65 ? CB LYS A 357 1 -ATOM 2699 C CG . LYS A 1 357 . 13.34 50.427 78.147 1 34.69 ? CG LYS A 357 1 -ATOM 2700 C CD . LYS A 1 357 . 12.893 49.065 78.757 1 48.38 ? CD LYS A 357 1 -ATOM 2701 C CE . LYS A 1 357 . 11.495 48.5 78.39 1 53.77 ? CE LYS A 357 1 -ATOM 2702 N NZ . LYS A 1 357 . 11.366 48.161 76.97 1 58.39 ? NZ LYS A 357 1 -ATOM 2703 N N . LEU A 1 358 . 11.354 53.539 75.448 1 16.56 ? N LEU A 358 1 -ATOM 2704 C CA . LEU A 1 358 . 10.239 54.119 74.705 1 16.67 ? CA LEU A 358 1 -ATOM 2705 C C . LEU A 1 358 . 10.595 54.389 73.255 1 19.85 ? C LEU A 358 1 -ATOM 2706 O O . LEU A 1 358 . 9.729 54.354 72.389 1 26.58 ? O LEU A 358 1 -ATOM 2707 C CB . LEU A 1 358 . 9.796 55.471 75.298 1 7.56 ? CB LEU A 358 1 -ATOM 2708 C CG . LEU A 1 358 . 9.274 55.385 76.723 1 2 ? CG LEU A 358 1 -ATOM 2709 C CD1 . LEU A 1 358 . 9.116 56.78 77.314 1 2 ? CD1 LEU A 358 1 -ATOM 2710 C CD2 . LEU A 1 358 . 7.937 54.652 76.758 1 2 ? CD2 LEU A 358 1 -ATOM 2711 N N . SER A 1 359 . 11.862 54.715 73.003 1 17.69 ? N SER A 359 1 -ATOM 2712 C CA . SER A 1 359 . 12.256 54.998 71.638 1 15.36 ? CA SER A 359 1 -ATOM 2713 C C . SER A 1 359 . 12.405 53.77 70.792 1 16.54 ? C SER A 359 1 -ATOM 2714 O O . SER A 1 359 . 12.192 53.833 69.594 1 22.9 ? O SER A 359 1 -ATOM 2715 C CB . SER A 1 359 . 13.594 55.739 71.579 1 13.6 ? CB SER A 359 1 -ATOM 2716 O OG . SER A 1 359 . 13.573 56.801 72.535 1 20.22 ? OG SER A 359 1 -ATOM 2717 N N . VAL A 1 360 . 12.759 52.645 71.391 1 11.65 ? N VAL A 360 1 -ATOM 2718 C CA . VAL A 1 360 . 12.944 51.481 70.561 1 9.46 ? CA VAL A 360 1 -ATOM 2719 C C . VAL A 1 360 . 11.964 50.393 70.96 1 12.11 ? C VAL A 360 1 -ATOM 2720 O O . VAL A 1 360 . 12.368 49.333 71.408 1 16.36 ? O VAL A 360 1 -ATOM 2721 C CB . VAL A 1 360 . 14.434 51.063 70.661 1 9.14 ? CB VAL A 360 1 -ATOM 2722 C CG1 . VAL A 1 360 . 14.841 50.178 69.466 1 10.89 ? CG1 VAL A 360 1 -ATOM 2723 C CG2 . VAL A 1 360 . 15.367 52.292 70.691 1 10.29 ? CG2 VAL A 360 1 -ATOM 2724 N N . PRO A 1 361 . 10.655 50.62 70.779 1 15.18 ? N PRO A 361 1 -ATOM 2725 C CA . PRO A 1 361 . 9.654 49.694 71.335 1 15.98 ? CA PRO A 361 1 -ATOM 2726 C C . PRO A 1 361 . 9.757 48.242 70.921 1 19.48 ? C PRO A 361 1 -ATOM 2727 O O . PRO A 1 361 . 9.177 47.348 71.504 1 23.85 ? O PRO A 361 1 -ATOM 2728 C CB . PRO A 1 361 . 8.306 50.273 70.88 1 11.55 ? CB PRO A 361 1 -ATOM 2729 C CG . PRO A 1 361 . 8.642 51.317 69.81 1 12.75 ? CG PRO A 361 1 -ATOM 2730 C CD . PRO A 1 361 . 10.084 51.755 70.062 1 14.4 ? CD PRO A 361 1 -ATOM 2731 N N . HIS A 1 362 . 10.477 48.02 69.845 1 25.44 ? N HIS A 362 1 -ATOM 2732 C CA . HIS A 1 362 . 10.623 46.67 69.321 1 29.48 ? CA HIS A 362 1 -ATOM 2733 C C . HIS A 1 362 . 11.939 46.025 69.693 1 30.3 ? C HIS A 362 1 -ATOM 2734 O O . HIS A 1 362 . 12.196 44.881 69.334 1 34.95 ? O HIS A 362 1 -ATOM 2735 C CB . HIS A 1 362 . 10.507 46.696 67.769 1 35.06 ? CB HIS A 362 1 -ATOM 2736 C CG . HIS A 1 362 . 11.27 47.87 67.165 1 36.68 ? CG HIS A 362 1 -ATOM 2737 N ND1 . HIS A 1 362 . 10.727 49.092 66.938 1 35.63 ? ND1 HIS A 362 1 -ATOM 2738 C CD2 . HIS A 1 362 . 12.633 47.919 66.802 1 35.92 ? CD2 HIS A 362 1 -ATOM 2739 C CE1 . HIS A 1 362 . 11.71 49.868 66.466 1 36.94 ? CE1 HIS A 362 1 -ATOM 2740 N NE2 . HIS A 1 362 . 12.865 49.175 66.382 1 39.26 ? NE2 HIS A 362 1 -ATOM 2741 N N . ALA A 1 363 . 12.812 46.774 70.361 1 25.05 ? N ALA A 363 1 -ATOM 2742 C CA . ALA A 1 363 . 14.062 46.133 70.675 1 24.3 ? CA ALA A 363 1 -ATOM 2743 C C . ALA A 1 363 . 13.848 45.186 71.823 1 26.94 ? C ALA A 363 1 -ATOM 2744 O O . ALA A 1 363 . 12.951 45.319 72.646 1 27.66 ? O ALA A 363 1 -ATOM 2745 C CB . ALA A 1 363 . 15.134 47.133 71.121 1 24.12 ? CB ALA A 363 1 -ATOM 2746 N N . ASN A 1 364 . 14.749 44.213 71.849 1 25.62 ? N ASN A 364 1 -ATOM 2747 C CA . ASN A 1 364 . 14.758 43.232 72.908 1 22.62 ? CA ASN A 364 1 -ATOM 2748 C C . ASN A 1 364 . 15.867 43.752 73.798 1 24.4 ? C ASN A 364 1 -ATOM 2749 O O . ASN A 1 364 . 16.571 44.705 73.484 1 24.24 ? O ASN A 364 1 -ATOM 2750 C CB . ASN A 1 364 . 15.012 41.792 72.399 1 23.27 ? CB ASN A 364 1 -ATOM 2751 C CG . ASN A 1 364 . 16.304 41.675 71.63 1 23.08 ? CG ASN A 364 1 -ATOM 2752 O OD1 . ASN A 1 364 . 17.141 42.556 71.718 1 28.93 ? OD1 ASN A 364 1 -ATOM 2753 N ND2 . ASN A 1 364 . 16.476 40.606 70.87 1 23.88 ? ND2 ASN A 364 1 -ATOM 2754 N N . ASP A 1 365 . 16.056 43.061 74.917 1 27.48 ? N ASP A 365 1 -ATOM 2755 C CA . ASP A 1 365 . 17.081 43.472 75.882 1 25.27 ? CA ASP A 365 1 -ATOM 2756 C C . ASP A 1 365 . 18.43 43.73 75.275 1 25.82 ? C ASP A 365 1 -ATOM 2757 O O . ASP A 1 365 . 19.141 44.68 75.568 1 28.02 ? O ASP A 365 1 -ATOM 2758 C CB . ASP A 1 365 . 17.372 42.372 76.914 1 26.63 ? CB ASP A 365 1 -ATOM 2759 N N . LEU A 1 366 . 18.782 42.827 74.38 1 23.27 ? N LEU A 366 1 -ATOM 2760 C CA . LEU A 1 366 . 20.075 42.962 73.762 1 21.37 ? CA LEU A 366 1 -ATOM 2761 C C . LEU A 1 366 . 20.147 44.191 72.883 1 21.66 ? C LEU A 366 1 -ATOM 2762 O O . LEU A 1 366 . 21.144 44.898 72.806 1 22.93 ? O LEU A 366 1 -ATOM 2763 C CB . LEU A 1 366 . 20.344 41.69 72.966 1 22.53 ? CB LEU A 366 1 -ATOM 2764 C CG . LEU A 1 366 . 21.729 41.107 73.176 1 21.41 ? CG LEU A 366 1 -ATOM 2765 C CD1 . LEU A 1 366 . 21.853 39.905 72.247 1 26.47 ? CD1 LEU A 366 1 -ATOM 2766 C CD2 . LEU A 1 366 . 22.85 42.138 72.963 1 22.36 ? CD2 LEU A 366 1 -ATOM 2767 N N . GLY A 1 367 . 19.025 44.444 72.229 1 18.78 ? N GLY A 367 1 -ATOM 2768 C CA . GLY A 1 367 . 18.936 45.581 71.345 1 20.09 ? CA GLY A 367 1 -ATOM 2769 C C . GLY A 1 367 . 19.094 46.861 72.104 1 19.16 ? C GLY A 367 1 -ATOM 2770 O O . GLY A 1 367 . 19.884 47.713 71.725 1 17.49 ? O GLY A 367 1 -ATOM 2771 N N . LEU A 1 368 . 18.342 46.96 73.218 1 19.69 ? N LEU A 368 1 -ATOM 2772 C CA . LEU A 1 368 . 18.41 48.152 74.058 1 18.37 ? CA LEU A 368 1 -ATOM 2773 C C . LEU A 1 368 . 19.844 48.33 74.525 1 18.27 ? C LEU A 368 1 -ATOM 2774 O O . LEU A 1 368 . 20.426 49.409 74.485 1 15.58 ? O LEU A 368 1 -ATOM 2775 C CB . LEU A 1 368 . 17.438 48.068 75.248 1 21.93 ? CB LEU A 368 1 -ATOM 2776 C CG . LEU A 1 368 . 15.933 48.026 74.877 1 25.14 ? CG LEU A 368 1 -ATOM 2777 C CD1 . LEU A 1 368 . 15.07 47.567 76.053 1 22.66 ? CD1 LEU A 368 1 -ATOM 2778 C CD2 . LEU A 1 368 . 15.401 49.388 74.386 1 26.92 ? CD2 LEU A 368 1 -ATOM 2779 N N . ASP A 1 369 . 20.428 47.189 74.923 1 18.38 ? N ASP A 369 1 -ATOM 2780 C CA . ASP A 1 369 . 21.827 47.226 75.362 1 19.79 ? CA ASP A 369 1 -ATOM 2781 C C . ASP A 1 369 . 22.745 47.793 74.289 1 19.98 ? C ASP A 369 1 -ATOM 2782 O O . ASP A 1 369 . 23.653 48.575 74.568 1 20.06 ? O ASP A 369 1 -ATOM 2783 C CB . ASP A 1 369 . 22.362 45.826 75.703 1 20.42 ? CB ASP A 369 1 -ATOM 2784 C CG . ASP A 1 369 . 22.133 45.388 77.141 1 25.81 ? CG ASP A 369 1 -ATOM 2785 O OD1 . ASP A 1 369 . 21.345 46.014 77.858 1 28.18 ? OD1 ASP A 369 1 -ATOM 2786 O OD2 . ASP A 1 369 . 22.771 44.415 77.545 1 28.77 ? OD2 ASP A 369 1 -ATOM 2787 N N . ALA A 1 370 . 22.475 47.355 73.042 1 19.57 ? N ALA A 370 1 -ATOM 2788 C CA . ALA A 1 370 . 23.252 47.794 71.903 1 12.88 ? CA ALA A 370 1 -ATOM 2789 C C . ALA A 1 370 . 23.109 49.283 71.682 1 13.98 ? C ALA A 370 1 -ATOM 2790 O O . ALA A 1 370 . 24.088 49.947 71.36 1 17.14 ? O ALA A 370 1 -ATOM 2791 C CB . ALA A 1 370 . 22.849 47.031 70.655 1 10.17 ? CB ALA A 370 1 -ATOM 2792 N N . VAL A 1 371 . 21.89 49.808 71.859 1 13.39 ? N VAL A 371 1 -ATOM 2793 C CA . VAL A 1 371 . 21.688 51.248 71.663 1 13.99 ? CA VAL A 371 1 -ATOM 2794 C C . VAL A 1 371 . 22.48 52.053 72.704 1 14.95 ? C VAL A 371 1 -ATOM 2795 O O . VAL A 1 371 . 23.202 52.998 72.393 1 18.4 ? O VAL A 371 1 -ATOM 2796 C CB . VAL A 1 371 . 20.179 51.599 71.742 1 13.56 ? CB VAL A 371 1 -ATOM 2797 C CG1 . VAL A 1 371 . 19.924 53.103 71.535 1 9.32 ? CG1 VAL A 371 1 -ATOM 2798 C CG2 . VAL A 1 371 . 19.33 50.764 70.762 1 6.6 ? CG2 VAL A 371 1 -ATOM 2799 N N . THR A 1 372 . 22.316 51.663 73.967 1 14.34 ? N THR A 372 1 -ATOM 2800 C CA . THR A 1 372 . 23.003 52.331 75.058 1 13.68 ? CA THR A 372 1 -ATOM 2801 C C . THR A 1 372 . 24.507 52.355 74.841 1 12.35 ? C THR A 372 1 -ATOM 2802 O O . THR A 1 372 . 25.194 53.339 75.056 1 9.76 ? O THR A 372 1 -ATOM 2803 C CB . THR A 1 372 . 22.682 51.541 76.319 1 18.11 ? CB THR A 372 1 -ATOM 2804 O OG1 . THR A 1 372 . 21.272 51.359 76.415 1 21.72 ? OG1 THR A 372 1 -ATOM 2805 C CG2 . THR A 1 372 . 23.187 52.181 77.614 1 26.75 ? CG2 THR A 372 1 -ATOM 2806 N N . LEU A 1 373 . 25.014 51.219 74.372 1 12.03 ? N LEU A 373 1 -ATOM 2807 C CA . LEU A 1 373 . 26.438 51.164 74.118 1 12.19 ? CA LEU A 373 1 -ATOM 2808 C C . LEU A 1 373 . 26.899 52.318 73.242 1 15.5 ? C LEU A 373 1 -ATOM 2809 O O . LEU A 1 373 . 27.837 53.027 73.567 1 15.29 ? O LEU A 373 1 -ATOM 2810 C CB . LEU A 1 373 . 26.804 49.835 73.429 1 9.08 ? CB LEU A 373 1 -ATOM 2811 C CG . LEU A 1 373 . 28.225 49.33 73.745 1 11.38 ? CG LEU A 373 1 -ATOM 2812 C CD1 . LEU A 1 373 . 28.554 48.051 72.978 1 14.39 ? CD1 LEU A 373 1 -ATOM 2813 C CD2 . LEU A 1 373 . 29.337 50.35 73.488 1 17.82 ? CD2 LEU A 373 1 -ATOM 2814 N N . GLN A 1 374 . 26.163 52.495 72.132 1 20.44 ? N GLN A 374 1 -ATOM 2815 C CA . GLN A 1 374 . 26.528 53.529 71.166 1 21.57 ? CA GLN A 374 1 -ATOM 2816 C C . GLN A 1 374 . 26.289 54.941 71.597 1 22.18 ? C GLN A 374 1 -ATOM 2817 O O . GLN A 1 374 . 27.07 55.833 71.3 1 23 ? O GLN A 374 1 -ATOM 2818 C CB . GLN A 1 374 . 25.739 53.401 69.848 1 24.24 ? CB GLN A 374 1 -ATOM 2819 C CG . GLN A 1 374 . 25.628 51.987 69.285 1 33.24 ? CG GLN A 374 1 -ATOM 2820 C CD . GLN A 1 374 . 26.957 51.458 68.79 1 39.05 ? CD GLN A 374 1 -ATOM 2821 O OE1 . GLN A 1 374 . 27.753 52.173 68.192 1 42.09 ? OE1 GLN A 374 1 -ATOM 2822 N NE2 . GLN A 1 374 . 27.159 50.156 69.011 1 39.02 ? NE2 GLN A 374 1 -ATOM 2823 N N . TYR A 1 375 . 25.159 55.138 72.272 1 20.75 ? N TYR A 375 1 -ATOM 2824 C CA . TYR A 1 375 . 24.832 56.505 72.658 1 22.88 ? CA TYR A 375 1 -ATOM 2825 C C . TYR A 1 375 . 25.365 56.972 74.005 1 25.42 ? C TYR A 375 1 -ATOM 2826 O O . TYR A 1 375 . 25.221 58.143 74.345 1 26.36 ? O TYR A 375 1 -ATOM 2827 C CB . TYR A 1 375 . 23.308 56.706 72.501 1 22.55 ? CB TYR A 375 1 -ATOM 2828 C CG . TYR A 1 375 . 22.939 56.796 71.029 1 24.01 ? CG TYR A 375 1 -ATOM 2829 C CD1 . TYR A 1 375 . 22.995 58.053 70.382 1 21.13 ? CD1 TYR A 375 1 -ATOM 2830 C CD2 . TYR A 1 375 . 22.608 55.639 70.277 1 20.1 ? CD2 TYR A 375 1 -ATOM 2831 C CE1 . TYR A 1 375 . 22.734 58.162 69.013 1 16.38 ? CE1 TYR A 375 1 -ATOM 2832 C CE2 . TYR A 1 375 . 22.344 55.752 68.898 1 13.81 ? CE2 TYR A 375 1 -ATOM 2833 C CZ . TYR A 1 375 . 22.4 57.021 68.275 1 17.25 ? CZ TYR A 375 1 -ATOM 2834 O OH . TYR A 1 375 . 22.11 57.194 66.939 1 18.33 ? OH TYR A 375 1 -ATOM 2835 N N . THR A 1 376 . 25.972 56.094 74.795 1 27.14 ? N THR A 376 1 -ATOM 2836 C CA . THR A 1 376 . 26.466 56.558 76.079 1 26.81 ? CA THR A 376 1 -ATOM 2837 C C . THR A 1 376 . 27.95 56.896 76.026 1 30 ? C THR A 376 1 -ATOM 2838 O O . THR A 1 376 . 28.788 56.256 75.401 1 32.19 ? O THR A 376 1 -ATOM 2839 C CB . THR A 1 376 . 26.248 55.429 77.102 1 24.27 ? CB THR A 376 1 -ATOM 2840 O OG1 . THR A 1 376 . 24.848 55.183 77.221 1 26.14 ? OG1 THR A 376 1 -ATOM 2841 C CG2 . THR A 1 376 . 26.772 55.689 78.525 1 26.13 ? CG2 THR A 376 1 -ATOM 2842 N N . ASP A 1 377 . 28.267 57.974 76.756 1 32.9 ? N ASP A 377 1 -ATOM 2843 C CA . ASP A 1 377 . 29.663 58.373 76.884 1 33.12 ? CA ASP A 377 1 -ATOM 2844 C C . ASP A 1 377 . 30.088 57.62 78.138 1 33.75 ? C ASP A 377 1 -ATOM 2845 O O . ASP A 1 377 . 29.853 58.093 79.246 1 35.52 ? O ASP A 377 1 -ATOM 2846 C CB . ASP A 1 377 . 29.821 59.888 77.099 1 29.45 ? CB ASP A 377 1 -ATOM 2847 C CG . ASP A 1 377 . 31.259 60.278 77.411 1 32.39 ? CG ASP A 377 1 -ATOM 2848 O OD1 . ASP A 1 377 . 32.052 59.407 77.779 1 31.09 ? OD1 ASP A 377 1 -ATOM 2849 O OD2 . ASP A 1 377 . 31.587 61.456 77.284 1 36.13 ? OD2 ASP A 377 1 -ATOM 2850 N N . TRP A 1 378 . 30.724 56.467 77.964 1 33.67 ? N TRP A 378 1 -ATOM 2851 C CA . TRP A 1 378 . 31.115 55.677 79.118 1 32.74 ? CA TRP A 378 1 -ATOM 2852 C C . TRP A 1 378 . 32.033 56.368 80.072 1 35.4 ? C TRP A 378 1 -ATOM 2853 O O . TRP A 1 378 . 32.005 56.047 81.25 1 38.33 ? O TRP A 378 1 -ATOM 2854 C CB . TRP A 1 378 . 31.63 54.292 78.729 1 34.03 ? CB TRP A 378 1 -ATOM 2855 C CG . TRP A 1 378 . 30.471 53.588 78.076 1 34.63 ? CG TRP A 378 1 -ATOM 2856 C CD1 . TRP A 1 378 . 30.183 53.518 76.694 1 35.42 ? CD1 TRP A 378 1 -ATOM 2857 C CD2 . TRP A 1 378 . 29.417 52.973 78.756 1 33.28 ? CD2 TRP A 378 1 -ATOM 2858 N NE1 . TRP A 1 378 . 29 52.899 76.494 1 35.74 ? NE1 TRP A 378 1 -ATOM 2859 C CE2 . TRP A 1 378 . 28.471 52.533 77.709 1 34.52 ? CE2 TRP A 378 1 -ATOM 2860 C CE3 . TRP A 1 378 . 29.112 52.79 80.102 1 32.54 ? CE3 TRP A 378 1 -ATOM 2861 C CZ2 . TRP A 1 378 . 27.263 51.928 78.09 1 33.96 ? CZ2 TRP A 378 1 -ATOM 2862 C CZ3 . TRP A 1 378 . 27.891 52.181 80.439 1 37.5 ? CZ3 TRP A 378 1 -ATOM 2863 C CH2 . TRP A 1 378 . 26.978 51.757 79.451 1 33.89 ? CH2 TRP A 378 1 -ATOM 2864 N N . MET A 1 379 . 32.825 57.343 79.609 1 35.43 ? N MET A 379 1 -ATOM 2865 C CA . MET A 1 379 . 33.697 58.015 80.583 1 38.11 ? CA MET A 379 1 -ATOM 2866 C C . MET A 1 379 . 33.006 59.171 81.323 1 37.63 ? C MET A 379 1 -ATOM 2867 O O . MET A 1 379 . 33.621 60.03 81.937 1 37.01 ? O MET A 379 1 -ATOM 2868 C CB . MET A 1 379 . 34.997 58.503 79.946 1 39.47 ? CB MET A 379 1 -ATOM 2869 C CG . MET A 1 379 . 36.089 58.677 81.013 1 48.58 ? CG MET A 379 1 -ATOM 2870 S SD . MET A 1 379 . 37.63 59.176 80.217 1 60.48 ? SD MET A 379 1 -ATOM 2871 C CE . MET A 1 379 . 38.186 57.574 79.529 1 60.32 ? CE MET A 379 1 -ATOM 2872 N N . ASP A 1 380 . 31.684 59.21 81.242 1 37.26 ? N ASP A 380 1 -ATOM 2873 C CA . ASP A 1 380 . 30.95 60.276 81.901 1 35.2 ? CA ASP A 380 1 -ATOM 2874 C C . ASP A 1 380 . 29.496 59.852 82.031 1 36.78 ? C ASP A 380 1 -ATOM 2875 O O . ASP A 1 380 . 28.558 60.633 82.001 1 36.31 ? O ASP A 380 1 -ATOM 2876 C CB . ASP A 1 380 . 31.085 61.573 81.08 1 37.41 ? CB ASP A 380 1 -ATOM 2877 C CG . ASP A 1 380 . 30.946 62.833 81.916 1 42.24 ? CG ASP A 380 1 -ATOM 2878 O OD1 . ASP A 1 380 . 30.115 62.841 82.818 1 44.95 ? OD1 ASP A 380 1 -ATOM 2879 O OD2 . ASP A 1 380 . 31.68 63.796 81.681 1 46.59 ? OD2 ASP A 380 1 -ATOM 2880 N N . ASP A 1 381 . 29.362 58.537 82.159 1 39.63 ? N ASP A 381 1 -ATOM 2881 C CA . ASP A 1 381 . 28.137 57.774 82.303 1 41.26 ? CA ASP A 381 1 -ATOM 2882 C C . ASP A 1 381 . 26.898 58.498 82.853 1 40.3 ? C ASP A 381 1 -ATOM 2883 O O . ASP A 1 381 . 25.862 58.482 82.204 1 41.14 ? O ASP A 381 1 -ATOM 2884 C CB . ASP A 1 381 . 28.52 56.477 83.058 1 44.63 ? CB ASP A 381 1 -ATOM 2885 C CG . ASP A 1 381 . 27.429 55.697 83.761 1 53.35 ? CG ASP A 381 1 -ATOM 2886 O OD1 . ASP A 1 381 . 26.283 55.738 83.316 1 56.74 ? OD1 ASP A 381 1 -ATOM 2887 O OD2 . ASP A 1 381 . 27.743 55.043 84.76 1 59.44 ? OD2 ASP A 381 1 -ATOM 2888 N N . ASN A 1 382 . 27.006 59.118 84.031 1 42.03 ? N ASN A 382 1 -ATOM 2889 C CA . ASN A 1 382 . 25.865 59.779 84.67 1 41.65 ? CA ASN A 382 1 -ATOM 2890 C C . ASN A 1 382 . 25.642 61.248 84.35 1 42 ? C ASN A 382 1 -ATOM 2891 O O . ASN A 1 382 . 24.947 61.916 85.107 1 45.11 ? O ASN A 382 1 -ATOM 2892 C CB . ASN A 1 382 . 26.124 59.744 86.202 1 39.34 ? CB ASN A 382 1 -ATOM 2893 N N . ASN A 1 383 . 26.225 61.785 83.267 1 41.46 ? N ASN A 383 1 -ATOM 2894 C CA . ASN A 1 383 . 26.01 63.225 83.006 1 35.71 ? CA ASN A 383 1 -ATOM 2895 C C . ASN A 1 383 . 24.62 63.545 82.472 1 33.59 ? C ASN A 383 1 -ATOM 2896 O O . ASN A 1 383 . 24.279 63.254 81.336 1 38.41 ? O ASN A 383 1 -ATOM 2897 C CB . ASN A 1 383 . 27.083 63.795 82.076 1 31.38 ? CB ASN A 383 1 -ATOM 2898 C CG . ASN A 1 383 . 26.928 65.278 81.831 1 32.86 ? CG ASN A 383 1 -ATOM 2899 O OD1 . ASN A 1 383 . 25.842 65.826 81.848 1 35.62 ? OD1 ASN A 383 1 -ATOM 2900 N ND2 . ASN A 1 383 . 28.04 65.962 81.597 1 33.67 ? ND2 ASN A 383 1 -ATOM 2901 N N . GLY A 1 384 . 23.85 64.252 83.289 1 30.8 ? N GLY A 384 1 -ATOM 2902 C CA . GLY A 1 384 . 22.496 64.597 82.893 1 27.25 ? CA GLY A 384 1 -ATOM 2903 C C . GLY A 1 384 . 22.328 65.341 81.593 1 22.82 ? C GLY A 384 1 -ATOM 2904 O O . GLY A 1 384 . 21.356 65.15 80.884 1 24.91 ? O GLY A 384 1 -ATOM 2905 N N . ILE A 1 385 . 23.257 66.223 81.275 1 19.5 ? N ILE A 385 1 -ATOM 2906 C CA . ILE A 1 385 . 23.151 66.941 80.018 1 21.44 ? CA ILE A 385 1 -ATOM 2907 C C . ILE A 1 385 . 23.415 65.938 78.883 1 21.19 ? C ILE A 385 1 -ATOM 2908 O O . ILE A 1 385 . 22.682 65.776 77.911 1 22.17 ? O ILE A 385 1 -ATOM 2909 C CB . ILE A 1 385 . 24.161 68.106 80.037 1 22.64 ? CB ILE A 385 1 -ATOM 2910 C CG1 . ILE A 1 385 . 23.678 69.272 80.907 1 25.55 ? CG1 ILE A 385 1 -ATOM 2911 C CG2 . ILE A 1 385 . 24.55 68.612 78.65 1 26.15 ? CG2 ILE A 385 1 -ATOM 2912 C CD1 . ILE A 1 385 . 22.582 70.084 80.198 1 31.32 ? CD1 ILE A 385 1 -ATOM 2913 N N . LYS A 1 386 . 24.507 65.208 79.051 1 19.41 ? N LYS A 386 1 -ATOM 2914 C CA . LYS A 1 386 . 24.846 64.229 78.03 1 16.41 ? CA LYS A 386 1 -ATOM 2915 C C . LYS A 1 386 . 23.746 63.214 77.802 1 15.5 ? C LYS A 386 1 -ATOM 2916 O O . LYS A 1 386 . 23.52 62.748 76.696 1 19.02 ? O LYS A 386 1 -ATOM 2917 C CB . LYS A 1 386 . 26.163 63.511 78.355 1 15.67 ? CB LYS A 386 1 -ATOM 2918 C CG . LYS A 1 386 . 27.363 64.47 78.269 1 13.97 ? CG LYS A 386 1 -ATOM 2919 C CD . LYS A 1 386 . 28.705 63.748 78.404 1 22.76 ? CD LYS A 386 1 -ATOM 2920 C CE . LYS A 1 386 . 29.899 64.709 78.258 1 29.85 ? CE LYS A 386 1 -ATOM 2921 N NZ . LYS A 1 386 . 31.167 63.988 78.174 1 32.24 ? NZ LYS A 386 1 -ATOM 2922 N N . ASN A 1 387 . 23.045 62.872 78.863 1 14.39 ? N ASN A 387 1 -ATOM 2923 C CA . ASN A 1 387 . 21.969 61.905 78.713 1 15.86 ? CA ASN A 387 1 -ATOM 2924 C C . ASN A 1 387 . 20.782 62.521 78.022 1 15.13 ? C ASN A 387 1 -ATOM 2925 O O . ASN A 1 387 . 20.085 61.866 77.261 1 17.02 ? O ASN A 387 1 -ATOM 2926 C CB . ASN A 1 387 . 21.521 61.34 80.07 1 21.64 ? CB ASN A 387 1 -ATOM 2927 C CG . ASN A 1 387 . 22.53 60.443 80.766 1 28.33 ? CG ASN A 387 1 -ATOM 2928 O OD1 . ASN A 1 387 . 22.41 60.183 81.952 1 35.96 ? OD1 ASN A 387 1 -ATOM 2929 N ND2 . ASN A 1 387 . 23.541 59.943 80.033 1 29.77 ? ND2 ASN A 387 1 -ATOM 2930 N N . ARG A 1 388 . 20.558 63.808 78.281 1 11.15 ? N ARG A 388 1 -ATOM 2931 C CA . ARG A 1 388 . 19.43 64.467 77.645 1 11.5 ? CA ARG A 388 1 -ATOM 2932 C C . ARG A 1 388 . 19.648 64.479 76.139 1 13.43 ? C ARG A 388 1 -ATOM 2933 O O . ARG A 1 388 . 18.815 64.11 75.308 1 10.98 ? O ARG A 388 1 -ATOM 2934 C CB . ARG A 1 388 . 19.34 65.916 78.167 1 9.27 ? CB ARG A 388 1 -ATOM 2935 C CG . ARG A 1 388 . 18.216 66.78 77.556 1 7.23 ? CG ARG A 388 1 -ATOM 2936 C CD . ARG A 1 388 . 18.418 68.277 77.829 1 10.14 ? CD ARG A 388 1 -ATOM 2937 N NE . ARG A 1 388 . 19.677 68.697 77.262 1 9.96 ? NE ARG A 388 1 -ATOM 2938 C CZ . ARG A 1 388 . 20.276 69.841 77.586 1 14.29 ? CZ ARG A 388 1 -ATOM 2939 N NH1 . ARG A 1 388 . 19.71 70.708 78.412 1 19.41 ? NH1 ARG A 388 1 -ATOM 2940 N NH2 . ARG A 1 388 . 21.468 70.114 77.068 1 21.28 ? NH2 ARG A 388 1 -ATOM 2941 N N . ASP A 1 389 . 20.858 64.938 75.812 1 10.11 ? N ASP A 389 1 -ATOM 2942 C CA . ASP A 1 389 . 21.227 65.033 74.418 1 6.98 ? CA ASP A 389 1 -ATOM 2943 C C . ASP A 1 389 . 21.295 63.682 73.756 1 6.78 ? C ASP A 389 1 -ATOM 2944 O O . ASP A 1 389 . 20.832 63.526 72.638 1 11.27 ? O ASP A 389 1 -ATOM 2945 C CB . ASP A 1 389 . 22.537 65.804 74.258 1 11.29 ? CB ASP A 389 1 -ATOM 2946 C CG . ASP A 1 389 . 22.402 67.288 74.636 1 17.29 ? CG ASP A 389 1 -ATOM 2947 O OD1 . ASP A 1 389 . 21.275 67.756 74.811 1 17.15 ? OD1 ASP A 389 1 -ATOM 2948 O OD2 . ASP A 1 389 . 23.423 67.979 74.735 1 17.35 ? OD2 ASP A 389 1 -ATOM 2949 N N . GLY A 1 390 . 21.829 62.673 74.429 1 3.73 ? N GLY A 390 1 -ATOM 2950 C CA . GLY A 1 390 . 21.891 61.375 73.763 1 6.75 ? CA GLY A 390 1 -ATOM 2951 C C . GLY A 1 390 . 20.517 60.854 73.369 1 11.44 ? C GLY A 390 1 -ATOM 2952 O O . GLY A 1 390 . 20.28 60.3 72.303 1 18.6 ? O GLY A 390 1 -ATOM 2953 N N . LEU A 1 391 . 19.56 61.102 74.239 1 12.73 ? N LEU A 391 1 -ATOM 2954 C CA . LEU A 1 391 . 18.21 60.633 73.972 1 13.42 ? CA LEU A 391 1 -ATOM 2955 C C . LEU A 1 391 . 17.604 61.378 72.8 1 12.34 ? C LEU A 391 1 -ATOM 2956 O O . LEU A 1 391 . 16.874 60.877 71.957 1 11.07 ? O LEU A 391 1 -ATOM 2957 C CB . LEU A 1 391 . 17.431 60.825 75.281 1 17.09 ? CB LEU A 391 1 -ATOM 2958 C CG . LEU A 1 391 . 16.427 59.725 75.627 1 15.61 ? CG LEU A 391 1 -ATOM 2959 C CD1 . LEU A 1 391 . 17.014 58.315 75.658 1 20.05 ? CD1 LEU A 391 1 -ATOM 2960 C CD2 . LEU A 1 391 . 15.854 60.061 76.993 1 18.22 ? CD2 LEU A 391 1 -ATOM 2961 N N . ASP A 1 392 . 17.964 62.645 72.739 1 13.63 ? N ASP A 392 1 -ATOM 2962 C CA . ASP A 1 392 . 17.482 63.48 71.651 1 16.96 ? CA ASP A 392 1 -ATOM 2963 C C . ASP A 1 392 . 18.015 62.979 70.298 1 21 ? C ASP A 392 1 -ATOM 2964 O O . ASP A 1 392 . 17.426 63.204 69.238 1 25.56 ? O ASP A 392 1 -ATOM 2965 C CB . ASP A 1 392 . 17.897 64.926 71.935 1 22.14 ? CB ASP A 392 1 -ATOM 2966 C CG . ASP A 1 392 . 17.358 65.901 70.91 1 25.9 ? CG ASP A 392 1 -ATOM 2967 O OD1 . ASP A 1 392 . 17.973 66.037 69.857 1 33.47 ? OD1 ASP A 392 1 -ATOM 2968 O OD2 . ASP A 1 392 . 16.335 66.521 71.162 1 26.93 ? OD2 ASP A 392 1 -ATOM 2969 N N . ASP A 1 393 . 19.156 62.283 70.341 1 19.36 ? N ASP A 393 1 -ATOM 2970 C CA . ASP A 1 393 . 19.713 61.75 69.109 1 14.77 ? CA ASP A 393 1 -ATOM 2971 C C . ASP A 1 393 . 19.246 60.355 68.865 1 16.13 ? C ASP A 393 1 -ATOM 2972 O O . ASP A 1 393 . 19.321 59.871 67.745 1 15.95 ? O ASP A 393 1 -ATOM 2973 C CB . ASP A 1 393 . 21.224 61.641 69.157 1 16.7 ? CB ASP A 393 1 -ATOM 2974 C CG . ASP A 1 393 . 21.909 62.97 69.052 1 20.9 ? CG ASP A 393 1 -ATOM 2975 O OD1 . ASP A 1 393 . 21.285 63.912 68.572 1 28.23 ? OD1 ASP A 393 1 -ATOM 2976 O OD2 . ASP A 1 393 . 23.076 63.058 69.438 1 28.4 ? OD2 ASP A 393 1 -ATOM 2977 N N . ILE A 1 394 . 18.806 59.67 69.917 1 16.81 ? N ILE A 394 1 -ATOM 2978 C CA . ILE A 1 394 . 18.326 58.32 69.686 1 14.79 ? CA ILE A 394 1 -ATOM 2979 C C . ILE A 1 394 . 17.034 58.468 68.911 1 14.4 ? C ILE A 394 1 -ATOM 2980 O O . ILE A 1 394 . 16.827 57.899 67.848 1 15.07 ? O ILE A 394 1 -ATOM 2981 C CB . ILE A 1 394 . 18.197 57.526 71.02 1 9.94 ? CB ILE A 394 1 -ATOM 2982 C CG1 . ILE A 1 394 . 19.6 57.171 71.545 1 9.43 ? CG1 ILE A 394 1 -ATOM 2983 C CG2 . ILE A 1 394 . 17.36 56.246 70.892 1 3.78 ? CG2 ILE A 394 1 -ATOM 2984 C CD1 . ILE A 1 394 . 19.62 56.444 72.895 1 11.88 ? CD1 ILE A 394 1 -ATOM 2985 N N . VAL A 1 395 . 16.159 59.314 69.44 1 17.14 ? N VAL A 395 1 -ATOM 2986 C CA . VAL A 1 395 . 14.882 59.476 68.762 1 16.27 ? CA VAL A 395 1 -ATOM 2987 C C . VAL A 1 395 . 15.066 59.986 67.326 1 18.15 ? C VAL A 395 1 -ATOM 2988 O O . VAL A 1 395 . 14.518 59.477 66.36 1 17.08 ? O VAL A 395 1 -ATOM 2989 C CB . VAL A 1 395 . 13.981 60.346 69.672 1 13.18 ? CB VAL A 395 1 -ATOM 2990 C CG1 . VAL A 1 395 . 12.546 60.519 69.153 1 12.93 ? CG1 VAL A 395 1 -ATOM 2991 C CG2 . VAL A 1 395 . 13.926 59.757 71.097 1 6.53 ? CG2 VAL A 395 1 -ATOM 2992 N N . GLY A 1 396 . 15.891 61.009 67.18 1 21.58 ? N GLY A 396 1 -ATOM 2993 C CA . GLY A 1 396 . 16.084 61.55 65.844 1 18.28 ? CA GLY A 396 1 -ATOM 2994 C C . GLY A 1 396 . 16.695 60.588 64.847 1 16.4 ? C GLY A 396 1 -ATOM 2995 O O . GLY A 1 396 . 16.185 60.406 63.751 1 23.24 ? O GLY A 396 1 -ATOM 2996 N N . ASP A 1 397 . 17.805 59.961 65.219 1 12.43 ? N ASP A 397 1 -ATOM 2997 C CA . ASP A 1 397 . 18.447 59.048 64.289 1 3.45 ? CA ASP A 397 1 -ATOM 2998 C C . ASP A 1 397 . 17.594 57.853 63.993 1 5.71 ? C ASP A 397 1 -ATOM 2999 O O . ASP A 1 397 . 17.481 57.433 62.852 1 11.98 ? O ASP A 397 1 -ATOM 3000 C CB . ASP A 1 397 . 19.799 58.569 64.821 1 2.73 ? CB ASP A 397 1 -ATOM 3001 C CG . ASP A 1 397 . 20.775 59.713 65.035 1 7.64 ? CG ASP A 397 1 -ATOM 3002 O OD1 . ASP A 1 397 . 20.479 60.845 64.65 1 6.63 ? OD1 ASP A 397 1 -ATOM 3003 O OD2 . ASP A 1 397 . 21.844 59.477 65.595 1 10.63 ? OD2 ASP A 397 1 -ATOM 3004 N N . HIS A 1 398 . 16.974 57.304 65.016 1 5.99 ? N HIS A 398 1 -ATOM 3005 C CA . HIS A 1 398 . 16.16 56.141 64.764 1 8.08 ? CA HIS A 398 1 -ATOM 3006 C C . HIS A 1 398 . 14.946 56.444 63.901 1 12.21 ? C HIS A 398 1 -ATOM 3007 O O . HIS A 1 398 . 14.656 55.722 62.959 1 17.17 ? O HIS A 398 1 -ATOM 3008 C CB . HIS A 1 398 . 15.656 55.541 66.098 1 5.36 ? CB HIS A 398 1 -ATOM 3009 C CG . HIS A 1 398 . 14.66 54.405 65.892 1 3.31 ? CG HIS A 398 1 -ATOM 3010 N ND1 . HIS A 1 398 . 14.967 53.237 65.314 1 2 ? ND1 HIS A 398 1 -ATOM 3011 C CD2 . HIS A 1 398 . 13.281 54.365 66.23 1 5.16 ? CD2 HIS A 398 1 -ATOM 3012 C CE1 . HIS A 1 398 . 13.84 52.506 65.297 1 2.44 ? CE1 HIS A 398 1 -ATOM 3013 N NE2 . HIS A 1 398 . 12.802 53.16 65.843 1 2 ? NE2 HIS A 398 1 -ATOM 3014 N N . ASN A 1 399 . 14.251 57.533 64.234 1 11.6 ? N ASN A 399 1 -ATOM 3015 C CA . ASN A 1 399 . 13 57.822 63.527 1 11.44 ? CA ASN A 399 1 -ATOM 3016 C C . ASN A 1 399 . 12.992 58.748 62.33 1 10.94 ? C ASN A 399 1 -ATOM 3017 O O . ASN A 1 399 . 11.989 58.763 61.629 1 11.39 ? O ASN A 399 1 -ATOM 3018 C CB . ASN A 1 399 . 11.987 58.485 64.48 1 13.59 ? CB ASN A 399 1 -ATOM 3019 C CG . ASN A 1 399 . 11.643 57.649 65.659 1 12.03 ? CG ASN A 399 1 -ATOM 3020 O OD1 . ASN A 1 399 . 10.74 56.841 65.605 1 7.86 ? OD1 ASN A 399 1 -ATOM 3021 N ND2 . ASN A 1 399 . 12.376 57.852 66.74 1 16.18 ? ND2 ASN A 399 1 -ATOM 3022 N N . VAL A 1 400 . 14.027 59.553 62.106 1 8.13 ? N VAL A 400 1 -ATOM 3023 C CA . VAL A 1 400 . 13.945 60.448 60.962 1 6.64 ? CA VAL A 400 1 -ATOM 3024 C C . VAL A 1 400 . 15.215 60.433 60.133 1 11.94 ? C VAL A 400 1 -ATOM 3025 O O . VAL A 1 400 . 15.197 60.192 58.936 1 19.91 ? O VAL A 400 1 -ATOM 3026 C CB . VAL A 1 400 . 13.629 61.87 61.447 1 2 ? CB VAL A 400 1 -ATOM 3027 C CG1 . VAL A 1 400 . 13.447 62.823 60.272 1 9.1 ? CG1 VAL A 400 1 -ATOM 3028 C CG2 . VAL A 1 400 . 12.362 61.916 62.321 1 2 ? CG2 VAL A 400 1 -ATOM 3029 N N . ILE A 1 401 . 16.354 60.678 60.767 1 12.04 ? N ILE A 401 1 -ATOM 3030 C CA . ILE A 1 401 . 17.569 60.715 59.961 1 10.1 ? CA ILE A 401 1 -ATOM 3031 C C . ILE A 1 401 . 17.938 59.398 59.349 1 11.78 ? C ILE A 401 1 -ATOM 3032 O O . ILE A 1 401 . 18.093 59.291 58.145 1 18.25 ? O ILE A 401 1 -ATOM 3033 C CB . ILE A 1 401 . 18.755 61.335 60.721 1 8.29 ? CB ILE A 401 1 -ATOM 3034 C CG1 . ILE A 1 401 . 18.295 62.654 61.372 1 3.74 ? CG1 ILE A 401 1 -ATOM 3035 C CG2 . ILE A 1 401 . 19.984 61.535 59.814 1 8.02 ? CG2 ILE A 401 1 -ATOM 3036 C CD1 . ILE A 1 401 . 19.433 63.514 61.913 1 2 ? CD1 ILE A 401 1 -ATOM 3037 N N . CYS A 1 402 . 18.088 58.365 60.152 1 13.62 ? N CYS A 402 1 -ATOM 3038 C CA . CYS A 1 402 . 18.495 57.121 59.506 1 14.5 ? CA CYS A 402 1 -ATOM 3039 C C . CYS A 1 402 . 17.572 56.533 58.45 1 13.22 ? C CYS A 402 1 -ATOM 3040 O O . CYS A 1 402 . 18.124 56.12 57.438 1 19.78 ? O CYS A 402 1 -ATOM 3041 C CB . CYS A 1 402 . 19.014 56.084 60.477 1 11.32 ? CB CYS A 402 1 -ATOM 3042 S SG . CYS A 1 402 . 20.385 56.807 61.425 1 15.97 ? SG CYS A 402 1 -ATOM 3043 N N . PRO A 1 403 . 16.235 56.464 58.6 1 8.93 ? N PRO A 403 1 -ATOM 3044 C CA . PRO A 1 403 . 15.429 55.964 57.494 1 10.79 ? CA PRO A 403 1 -ATOM 3045 C C . PRO A 1 403 . 15.525 56.854 56.245 1 12.36 ? C PRO A 403 1 -ATOM 3046 O O . PRO A 1 403 . 15.529 56.351 55.119 1 14.53 ? O PRO A 403 1 -ATOM 3047 C CB . PRO A 1 403 . 14.006 55.757 58.043 1 6.7 ? CB PRO A 403 1 -ATOM 3048 C CG . PRO A 1 403 . 14.02 56.382 59.436 1 11.2 ? CG PRO A 403 1 -ATOM 3049 C CD . PRO A 1 403 . 15.491 56.629 59.826 1 10.36 ? CD PRO A 403 1 -ATOM 3050 N N . LEU A 1 404 . 15.628 58.175 56.465 1 11.19 ? N LEU A 404 1 -ATOM 3051 C CA . LEU A 1 404 . 15.735 59.087 55.32 1 9.91 ? CA LEU A 404 1 -ATOM 3052 C C . LEU A 1 404 . 17.004 58.797 54.535 1 13.85 ? C LEU A 404 1 -ATOM 3053 O O . LEU A 1 404 . 17.003 58.677 53.314 1 16.68 ? O LEU A 404 1 -ATOM 3054 C CB . LEU A 1 404 . 15.669 60.553 55.77 1 5.07 ? CB LEU A 404 1 -ATOM 3055 C CG . LEU A 1 404 . 15.739 61.585 54.627 1 2.5 ? CG LEU A 404 1 -ATOM 3056 C CD1 . LEU A 1 404 . 14.649 62.656 54.746 1 2 ? CD1 LEU A 404 1 -ATOM 3057 C CD2 . LEU A 1 404 . 17.12 62.247 54.544 1 6.97 ? CD2 LEU A 404 1 -ATOM 3058 N N . MET A 1 405 . 18.117 58.637 55.263 1 12 ? N MET A 405 1 -ATOM 3059 C CA . MET A 1 405 . 19.348 58.326 54.539 1 10.39 ? CA MET A 405 1 -ATOM 3060 C C . MET A 1 405 . 19.229 57.001 53.802 1 10.1 ? C MET A 405 1 -ATOM 3061 O O . MET A 1 405 . 19.838 56.745 52.774 1 12.42 ? O MET A 405 1 -ATOM 3062 C CB . MET A 1 405 . 20.552 58.236 55.476 1 6.38 ? CB MET A 405 1 -ATOM 3063 C CG . MET A 1 405 . 20.791 59.55 56.205 1 8.23 ? CG MET A 405 1 -ATOM 3064 S SD . MET A 1 405 . 21.08 60.867 55.011 1 9.64 ? SD MET A 405 1 -ATOM 3065 C CE . MET A 1 405 . 22.706 60.365 54.398 1 6.69 ? CE MET A 405 1 -ATOM 3066 N N . HIS A 1 406 . 18.421 56.121 54.352 1 8.78 ? N HIS A 406 1 -ATOM 3067 C CA . HIS A 1 406 . 18.273 54.847 53.674 1 14.38 ? CA HIS A 406 1 -ATOM 3068 C C . HIS A 1 406 . 17.589 55.083 52.331 1 17.53 ? C HIS A 406 1 -ATOM 3069 O O . HIS A 1 406 . 18.028 54.641 51.274 1 22.81 ? O HIS A 406 1 -ATOM 3070 C CB . HIS A 1 406 . 17.449 53.885 54.554 1 14.21 ? CB HIS A 406 1 -ATOM 3071 C CG . HIS A 1 406 . 17.406 52.506 53.951 1 11.97 ? CG HIS A 406 1 -ATOM 3072 N ND1 . HIS A 1 406 . 18.492 51.722 53.819 1 8.45 ? ND1 HIS A 406 1 -ATOM 3073 C CD2 . HIS A 1 406 . 16.284 51.813 53.44 1 10.64 ? CD2 HIS A 406 1 -ATOM 3074 C CE1 . HIS A 1 406 . 18.058 50.585 53.25 1 10.91 ? CE1 HIS A 406 1 -ATOM 3075 N NE2 . HIS A 1 406 . 16.734 50.62 53.012 1 7.82 ? NE2 HIS A 406 1 -ATOM 3076 N N . PHE A 1 407 . 16.493 55.848 52.405 1 17.65 ? N PHE A 407 1 -ATOM 3077 C CA . PHE A 1 407 . 15.696 56.164 51.206 1 14.69 ? CA PHE A 407 1 -ATOM 3078 C C . PHE A 1 407 . 16.547 56.83 50.161 1 14.22 ? C PHE A 407 1 -ATOM 3079 O O . PHE A 1 407 . 16.575 56.427 49.013 1 17.34 ? O PHE A 407 1 -ATOM 3080 C CB . PHE A 1 407 . 14.542 57.078 51.605 1 12.33 ? CB PHE A 407 1 -ATOM 3081 C CG . PHE A 1 407 . 13.625 57.489 50.499 1 3.35 ? CG PHE A 407 1 -ATOM 3082 C CD1 . PHE A 1 407 . 12.684 56.579 50.008 1 5.65 ? CD1 PHE A 407 1 -ATOM 3083 C CD2 . PHE A 1 407 . 13.668 58.801 50.002 1 6.05 ? CD2 PHE A 407 1 -ATOM 3084 C CE1 . PHE A 1 407 . 11.771 56.991 49.026 1 8.33 ? CE1 PHE A 407 1 -ATOM 3085 C CE2 . PHE A 1 407 . 12.757 59.209 49.016 1 9.1 ? CE2 PHE A 407 1 -ATOM 3086 C CZ . PHE A 1 407 . 11.805 58.305 48.524 1 4.46 ? CZ PHE A 407 1 -ATOM 3087 N N . VAL A 1 408 . 17.279 57.849 50.591 1 12.31 ? N VAL A 408 1 -ATOM 3088 C CA . VAL A 1 408 . 18.151 58.552 49.671 1 9.26 ? CA VAL A 408 1 -ATOM 3089 C C . VAL A 1 408 . 19.09 57.619 48.972 1 11.77 ? C VAL A 408 1 -ATOM 3090 O O . VAL A 1 408 . 19.218 57.638 47.761 1 17.89 ? O VAL A 408 1 -ATOM 3091 C CB . VAL A 1 408 . 18.942 59.613 50.439 1 5.68 ? CB VAL A 408 1 -ATOM 3092 C CG1 . VAL A 1 408 . 20.075 60.236 49.642 1 4.05 ? CG1 VAL A 408 1 -ATOM 3093 C CG2 . VAL A 1 408 . 17.982 60.718 50.857 1 15.34 ? CG2 VAL A 408 1 -ATOM 3094 N N . ASN A 1 409 . 19.735 56.759 49.738 1 11.92 ? N ASN A 409 1 -ATOM 3095 C CA . ASN A 1 409 . 20.667 55.896 49.049 1 11.95 ? CA ASN A 409 1 -ATOM 3096 C C . ASN A 1 409 . 20.016 54.975 48.085 1 13.78 ? C ASN A 409 1 -ATOM 3097 O O . ASN A 1 409 . 20.558 54.718 47.022 1 17.57 ? O ASN A 409 1 -ATOM 3098 C CB . ASN A 1 409 . 21.513 55.093 50.01 1 17.99 ? CB ASN A 409 1 -ATOM 3099 C CG . ASN A 1 409 . 22.596 56.014 50.523 1 27.06 ? CG ASN A 409 1 -ATOM 3100 O OD1 . ASN A 1 409 . 23.575 56.287 49.842 1 31.47 ? OD1 ASN A 409 1 -ATOM 3101 N ND2 . ASN A 1 409 . 22.413 56.505 51.746 1 30.06 ? ND2 ASN A 409 1 -ATOM 3102 N N . LYS A 1 410 . 18.847 54.458 48.435 1 14.56 ? N LYS A 410 1 -ATOM 3103 C CA . LYS A 1 410 . 18.255 53.555 47.45 1 17 ? CA LYS A 410 1 -ATOM 3104 C C . LYS A 1 410 . 17.628 54.304 46.266 1 17.5 ? C LYS A 410 1 -ATOM 3105 O O . LYS A 1 410 . 17.487 53.799 45.165 1 19.56 ? O LYS A 410 1 -ATOM 3106 C CB . LYS A 1 410 . 17.248 52.611 48.122 1 20.71 ? CB LYS A 410 1 -ATOM 3107 C CG . LYS A 1 410 . 17.908 51.718 49.185 1 20.55 ? CG LYS A 410 1 -ATOM 3108 C CD . LYS A 1 410 . 17.452 50.251 49.115 1 26.51 ? CD LYS A 410 1 -ATOM 3109 C CE . LYS A 1 410 . 18.611 49.238 49.018 1 29.06 ? CE LYS A 410 1 -ATOM 3110 N NZ . LYS A 1 410 . 18.277 48.013 49.749 1 39.74 ? NZ LYS A 410 1 -ATOM 3111 N N . TYR A 1 411 . 17.242 55.543 46.489 1 16.18 ? N TYR A 411 1 -ATOM 3112 C CA . TYR A 1 411 . 16.627 56.259 45.386 1 18.03 ? CA TYR A 411 1 -ATOM 3113 C C . TYR A 1 411 . 17.659 56.751 44.412 1 22.49 ? C TYR A 411 1 -ATOM 3114 O O . TYR A 1 411 . 17.502 56.663 43.201 1 22.41 ? O TYR A 411 1 -ATOM 3115 C CB . TYR A 1 411 . 15.854 57.471 45.904 1 11.23 ? CB TYR A 411 1 -ATOM 3116 C CG . TYR A 1 411 . 14.999 58.125 44.836 1 5.6 ? CG TYR A 411 1 -ATOM 3117 C CD1 . TYR A 1 411 . 13.747 57.578 44.508 1 2.08 ? CD1 TYR A 411 1 -ATOM 3118 C CD2 . TYR A 1 411 . 15.428 59.307 44.207 1 4.34 ? CD2 TYR A 411 1 -ATOM 3119 C CE1 . TYR A 1 411 . 12.913 58.22 43.586 1 4.24 ? CE1 TYR A 411 1 -ATOM 3120 C CE2 . TYR A 1 411 . 14.598 59.95 43.287 1 2 ? CE2 TYR A 411 1 -ATOM 3121 C CZ . TYR A 1 411 . 13.344 59.409 42.977 1 8.61 ? CZ TYR A 411 1 -ATOM 3122 O OH . TYR A 1 411 . 12.557 60.074 42.057 1 16.66 ? OH TYR A 411 1 -ATOM 3123 N N . THR A 1 412 . 18.74 57.293 44.956 1 24.51 ? N THR A 412 1 -ATOM 3124 C CA . THR A 1 412 . 19.797 57.83 44.105 1 25.23 ? CA THR A 412 1 -ATOM 3125 C C . THR A 1 412 . 20.306 56.858 43.091 1 22.66 ? C THR A 412 1 -ATOM 3126 O O . THR A 1 412 . 20.812 57.27 42.056 1 23.24 ? O THR A 412 1 -ATOM 3127 C CB . THR A 1 412 . 20.895 58.461 44.978 1 24.6 ? CB THR A 412 1 -ATOM 3128 O OG1 . THR A 1 412 . 20.281 59.445 45.809 1 26.37 ? OG1 THR A 412 1 -ATOM 3129 C CG2 . THR A 1 412 . 21.998 59.21 44.205 1 26.6 ? CG2 THR A 412 1 -ATOM 3130 N N . LYS A 1 413 . 20.163 55.564 43.354 1 23.19 ? N LYS A 413 1 -ATOM 3131 C CA . LYS A 1 413 . 20.682 54.713 42.345 1 25.73 ? CA LYS A 413 1 -ATOM 3132 C C . LYS A 1 413 . 19.917 54.864 41.029 1 26.73 ? C LYS A 413 1 -ATOM 3133 O O . LYS A 1 413 . 20.461 54.651 40.014 1 28.6 ? O LYS A 413 1 -ATOM 3134 C CB . LYS A 1 413 . 20.665 53.23 42.754 1 24.16 ? CB LYS A 413 1 -ATOM 3135 C CG . LYS A 1 413 . 21.693 52.927 43.883 1 27.52 ? CG LYS A 413 1 -ATOM 3136 C CD . LYS A 1 413 . 21.33 51.727 44.779 1 36.17 ? CD LYS A 413 1 -ATOM 3137 N N . PHE A 1 414 . 18.623 55.18 41.183 1 28.42 ? N PHE A 414 1 -ATOM 3138 C CA . PHE A 1 414 . 17.814 55.245 39.972 1 29.89 ? CA PHE A 414 1 -ATOM 3139 C C . PHE A 1 414 . 17.061 56.556 39.706 1 28.33 ? C PHE A 414 1 -ATOM 3140 O O . PHE A 1 414 . 16.297 56.674 38.736 1 31.27 ? O PHE A 414 1 -ATOM 3141 C CB . PHE A 1 414 . 16.74 54.146 40.065 1 32.75 ? CB PHE A 414 1 -ATOM 3142 C CG . PHE A 1 414 . 17.272 52.746 40.301 1 37.5 ? CG PHE A 414 1 -ATOM 3143 C CD1 . PHE A 1 414 . 18.572 52.276 40.169 1 44.88 ? CD1 PHE A 414 1 -ATOM 3144 C CD2 . PHE A 1 414 . 16.344 51.858 40.722 1 43.49 ? CD2 PHE A 414 1 -ATOM 3145 C CE1 . PHE A 1 414 . 18.984 51.007 40.512 1 50.06 ? CE1 PHE A 414 1 -ATOM 3146 C CE2 . PHE A 1 414 . 16.694 50.529 41.049 1 45.95 ? CE2 PHE A 414 1 -ATOM 3147 C CZ . PHE A 1 414 . 18.03 50.125 40.954 1 46.66 ? CZ PHE A 414 1 -ATOM 3148 N N . GLY A 1 415 . 17.218 57.553 40.575 1 26.12 ? N GLY A 415 1 -ATOM 3149 C CA . GLY A 1 415 . 16.485 58.772 40.358 1 25.57 ? CA GLY A 415 1 -ATOM 3150 C C . GLY A 1 415 . 17.222 59.643 39.391 1 25.05 ? C GLY A 415 1 -ATOM 3151 O O . GLY A 1 415 . 18.299 59.318 38.929 1 23.29 ? O GLY A 415 1 -ATOM 3152 N N . ASN A 1 416 . 16.658 60.812 39.103 1 28.85 ? N ASN A 416 1 -ATOM 3153 C CA . ASN A 1 416 . 17.307 61.714 38.161 1 34.03 ? CA ASN A 416 1 -ATOM 3154 C C . ASN A 1 416 . 17.867 62.946 38.848 1 33.9 ? C ASN A 416 1 -ATOM 3155 O O . ASN A 1 416 . 17.753 64.054 38.351 1 35.24 ? O ASN A 416 1 -ATOM 3156 C CB . ASN A 1 416 . 16.331 62.053 36.999 1 39.49 ? CB ASN A 416 1 -ATOM 3157 C CG . ASN A 1 416 . 16.946 62.694 35.738 1 42.24 ? CG ASN A 416 1 -ATOM 3158 O OD1 . ASN A 1 416 . 16.387 63.603 35.139 1 46.71 ? OD1 ASN A 416 1 -ATOM 3159 N ND2 . ASN A 1 416 . 18.1 62.178 35.308 1 38.36 ? ND2 ASN A 416 1 -ATOM 3160 N N . GLY A 1 417 . 18.467 62.755 40.028 1 37.53 ? N GLY A 417 1 -ATOM 3161 C CA . GLY A 1 417 . 19.061 63.874 40.788 1 35.91 ? CA GLY A 417 1 -ATOM 3162 C C . GLY A 1 417 . 18.572 63.903 42.225 1 30.56 ? C GLY A 417 1 -ATOM 3163 O O . GLY A 1 417 . 17.407 63.631 42.488 1 29.49 ? O GLY A 417 1 -ATOM 3164 N N . THR A 1 418 . 19.465 64.226 43.162 1 27.58 ? N THR A 418 1 -ATOM 3165 C CA . THR A 1 418 . 19.038 64.247 44.557 1 27.31 ? CA THR A 418 1 -ATOM 3166 C C . THR A 1 418 . 19.764 65.383 45.256 1 25.21 ? C THR A 418 1 -ATOM 3167 O O . THR A 1 418 . 20.978 65.478 45.111 1 26.31 ? O THR A 418 1 -ATOM 3168 C CB . THR A 1 418 . 19.424 62.879 45.187 1 23.65 ? CB THR A 418 1 -ATOM 3169 O OG1 . THR A 1 418 . 18.789 61.811 44.47 1 29.4 ? OG1 THR A 418 1 -ATOM 3170 C CG2 . THR A 1 418 . 19.017 62.701 46.648 1 21.43 ? CG2 THR A 418 1 -ATOM 3171 N N . TYR A 1 419 . 19.03 66.227 45.997 1 22.29 ? N TYR A 419 1 -ATOM 3172 C CA . TYR A 1 419 . 19.643 67.346 46.738 1 25.88 ? CA TYR A 419 1 -ATOM 3173 C C . TYR A 1 419 . 19.254 67.124 48.199 1 25.8 ? C TYR A 419 1 -ATOM 3174 O O . TYR A 1 419 . 18.079 66.883 48.465 1 27.82 ? O TYR A 419 1 -ATOM 3175 C CB . TYR A 1 419 . 19.164 68.702 46.184 1 30.13 ? CB TYR A 419 1 -ATOM 3176 C CG . TYR A 1 419 . 19.512 68.841 44.711 1 29.73 ? CG TYR A 419 1 -ATOM 3177 C CD1 . TYR A 1 419 . 18.6 68.368 43.751 1 31.8 ? CD1 TYR A 419 1 -ATOM 3178 C CD2 . TYR A 1 419 . 20.734 69.407 44.287 1 26.44 ? CD2 TYR A 419 1 -ATOM 3179 C CE1 . TYR A 1 419 . 18.899 68.453 42.387 1 32.84 ? CE1 TYR A 419 1 -ATOM 3180 C CE2 . TYR A 1 419 . 21.036 69.489 42.917 1 27.55 ? CE2 TYR A 419 1 -ATOM 3181 C CZ . TYR A 1 419 . 20.114 69.013 41.961 1 31.05 ? CZ TYR A 419 1 -ATOM 3182 O OH . TYR A 1 419 . 20.364 69.09 40.602 1 31.88 ? OH TYR A 419 1 -ATOM 3183 N N . LEU A 1 420 . 20.228 67.176 49.121 1 19.41 ? N LEU A 420 1 -ATOM 3184 C CA . LEU A 1 420 . 20.014 66.915 50.54 1 17.98 ? CA LEU A 420 1 -ATOM 3185 C C . LEU A 1 420 . 20.492 68.074 51.392 1 19.04 ? C LEU A 420 1 -ATOM 3186 O O . LEU A 1 420 . 21.58 68.595 51.158 1 16.48 ? O LEU A 420 1 -ATOM 3187 C CB . LEU A 1 420 . 20.834 65.657 50.884 1 13.19 ? CB LEU A 420 1 -ATOM 3188 C CG . LEU A 1 420 . 20.683 65.139 52.324 1 13.97 ? CG LEU A 420 1 -ATOM 3189 C CD1 . LEU A 1 420 . 19.221 64.883 52.694 1 13.11 ? CD1 LEU A 420 1 -ATOM 3190 C CD2 . LEU A 1 420 . 21.501 63.86 52.553 1 9.68 ? CD2 LEU A 420 1 -ATOM 3191 N N . TYR A 1 421 . 19.674 68.47 52.388 1 20 ? N TYR A 421 1 -ATOM 3192 C CA . TYR A 1 421 . 20.041 69.576 53.3 1 21.21 ? CA TYR A 421 1 -ATOM 3193 C C . TYR A 1 421 . 19.942 69.123 54.759 1 22.16 ? C TYR A 421 1 -ATOM 3194 O O . TYR A 1 421 . 19.268 68.147 55.083 1 27.68 ? O TYR A 421 1 -ATOM 3195 C CB . TYR A 1 421 . 19.16 70.825 53.113 1 18.16 ? CB TYR A 421 1 -ATOM 3196 C CG . TYR A 1 421 . 17.717 70.594 53.501 1 20.61 ? CG TYR A 421 1 -ATOM 3197 C CD1 . TYR A 1 421 . 16.78 70.057 52.595 1 18.3 ? CD1 TYR A 421 1 -ATOM 3198 C CD2 . TYR A 1 421 . 17.312 70.898 54.806 1 17.41 ? CD2 TYR A 421 1 -ATOM 3199 C CE1 . TYR A 1 421 . 15.451 69.838 53.002 1 18.02 ? CE1 TYR A 421 1 -ATOM 3200 C CE2 . TYR A 1 421 . 15.996 70.665 55.207 1 18.17 ? CE2 TYR A 421 1 -ATOM 3201 C CZ . TYR A 1 421 . 15.057 70.145 54.313 1 17.49 ? CZ TYR A 421 1 -ATOM 3202 O OH . TYR A 1 421 . 13.749 69.954 54.734 1 23.43 ? OH TYR A 421 1 -ATOM 3203 N N . PHE A 1 422 . 20.608 69.887 55.631 1 19.35 ? N PHE A 422 1 -ATOM 3204 C CA . PHE A 1 422 . 20.637 69.652 57.073 1 16.89 ? CA PHE A 422 1 -ATOM 3205 C C . PHE A 1 422 . 20.322 71.005 57.627 1 15.31 ? C PHE A 422 1 -ATOM 3206 O O . PHE A 1 422 . 21.156 71.895 57.543 1 17.01 ? O PHE A 422 1 -ATOM 3207 C CB . PHE A 1 422 . 22.054 69.215 57.459 1 17.68 ? CB PHE A 422 1 -ATOM 3208 C CG . PHE A 1 422 . 22.178 68.85 58.909 1 18.34 ? CG PHE A 422 1 -ATOM 3209 C CD1 . PHE A 1 422 . 21.524 67.705 59.394 1 17.93 ? CD1 PHE A 422 1 -ATOM 3210 C CD2 . PHE A 1 422 . 22.957 69.638 59.779 1 20.27 ? CD2 PHE A 422 1 -ATOM 3211 C CE1 . PHE A 1 422 . 21.65 67.347 60.742 1 16.41 ? CE1 PHE A 422 1 -ATOM 3212 C CE2 . PHE A 1 422 . 23.087 69.277 61.123 1 16.33 ? CE2 PHE A 422 1 -ATOM 3213 C CZ . PHE A 1 422 . 22.431 68.132 61.601 1 17.51 ? CZ PHE A 422 1 -ATOM 3214 N N . PHE A 1 423 . 19.102 71.191 58.111 1 14.66 ? N PHE A 423 1 -ATOM 3215 C CA . PHE A 1 423 . 18.694 72.484 58.631 1 16.94 ? CA PHE A 423 1 -ATOM 3216 C C . PHE A 1 423 . 19.04 72.523 60.103 1 20.96 ? C PHE A 423 1 -ATOM 3217 O O . PHE A 1 423 . 18.555 71.738 60.923 1 26.49 ? O PHE A 423 1 -ATOM 3218 C CB . PHE A 1 423 . 17.2 72.684 58.39 1 12.96 ? CB PHE A 423 1 -ATOM 3219 C CG . PHE A 1 423 . 16.724 74.04 58.834 1 12.99 ? CG PHE A 423 1 -ATOM 3220 C CD1 . PHE A 1 423 . 16.886 75.165 58.004 1 14.02 ? CD1 PHE A 423 1 -ATOM 3221 C CD2 . PHE A 1 423 . 16.1 74.192 60.08 1 17.13 ? CD2 PHE A 423 1 -ATOM 3222 C CE1 . PHE A 1 423 . 16.416 76.428 58.401 1 11.33 ? CE1 PHE A 423 1 -ATOM 3223 C CE2 . PHE A 1 423 . 15.623 75.456 60.481 1 20.89 ? CE2 PHE A 423 1 -ATOM 3224 C CZ . PHE A 1 423 . 15.778 76.573 59.637 1 15.84 ? CZ PHE A 423 1 -ATOM 3225 N N . ASN A 1 424 . 19.894 73.481 60.441 1 18.24 ? N ASN A 424 1 -ATOM 3226 C CA . ASN A 1 424 . 20.337 73.577 61.812 1 14.83 ? CA ASN A 424 1 -ATOM 3227 C C . ASN A 1 424 . 20.403 74.99 62.302 1 12.86 ? C ASN A 424 1 -ATOM 3228 O O . ASN A 1 424 . 21.415 75.403 62.828 1 16.41 ? O ASN A 424 1 -ATOM 3229 C CB . ASN A 1 424 . 21.694 72.892 61.978 1 9.86 ? CB ASN A 424 1 -ATOM 3230 C CG . ASN A 1 424 . 22.744 73.517 61.102 1 14.25 ? CG ASN A 424 1 -ATOM 3231 O OD1 . ASN A 1 424 . 22.489 74.376 60.268 1 19.01 ? OD1 ASN A 424 1 -ATOM 3232 N ND2 . ASN A 1 424 . 23.976 73.051 61.272 1 17.43 ? ND2 ASN A 424 1 -ATOM 3233 N N . HIS A 1 425 . 19.324 75.737 62.152 1 14.01 ? N HIS A 425 1 -ATOM 3234 C CA . HIS A 1 425 . 19.291 77.111 62.619 1 14.7 ? CA HIS A 425 1 -ATOM 3235 C C . HIS A 1 425 . 18.127 77.227 63.581 1 20.28 ? C HIS A 425 1 -ATOM 3236 O O . HIS A 1 425 . 17.025 76.743 63.342 1 22.87 ? O HIS A 425 1 -ATOM 3237 C CB . HIS A 1 425 . 19.069 78.038 61.424 1 13.69 ? CB HIS A 425 1 -ATOM 3238 C CG . HIS A 1 425 . 18.758 79.457 61.849 1 16.2 ? CG HIS A 425 1 -ATOM 3239 N ND1 . HIS A 1 425 . 19.673 80.364 62.264 1 14.43 ? ND1 HIS A 425 1 -ATOM 3240 C CD2 . HIS A 1 425 . 17.483 80.067 61.888 1 16.15 ? CD2 HIS A 425 1 -ATOM 3241 C CE1 . HIS A 1 425 . 18.988 81.491 62.54 1 13.89 ? CE1 HIS A 425 1 -ATOM 3242 N NE2 . HIS A 1 425 . 17.667 81.335 62.316 1 13.71 ? NE2 HIS A 425 1 -ATOM 3243 N N . ARG A 1 426 . 18.386 77.897 64.696 1 24.28 ? N ARG A 426 1 -ATOM 3244 C CA . ARG A 1 426 . 17.337 78.083 65.683 1 27.35 ? CA ARG A 426 1 -ATOM 3245 C C . ARG A 1 426 . 16.832 79.506 65.509 1 27.39 ? C ARG A 426 1 -ATOM 3246 O O . ARG A 1 426 . 17.588 80.471 65.63 1 26.12 ? O ARG A 426 1 -ATOM 3247 C CB . ARG A 1 426 . 17.902 77.842 67.106 1 30.12 ? CB ARG A 426 1 -ATOM 3248 C CG . ARG A 1 426 . 16.81 77.838 68.2 1 36.19 ? CG ARG A 426 1 -ATOM 3249 C CD . ARG A 1 426 . 17.26 77.301 69.568 1 36.3 ? CD ARG A 426 1 -ATOM 3250 N NE . ARG A 1 426 . 16.233 77.525 70.574 1 39.87 ? NE ARG A 426 1 -ATOM 3251 C CZ . ARG A 1 426 . 16.103 78.735 71.15 1 44.86 ? CZ ARG A 426 1 -ATOM 3252 N NH1 . ARG A 1 426 . 16.896 79.766 70.825 1 45.41 ? NH1 ARG A 426 1 -ATOM 3253 N NH2 . ARG A 1 426 . 15.158 78.908 72.068 1 46.68 ? NH2 ARG A 426 1 -ATOM 3254 N N . ALA A 1 427 . 15.526 79.628 65.219 1 25.42 ? N ALA A 427 1 -ATOM 3255 C CA . ALA A 1 427 . 15.003 80.979 65.054 1 24.06 ? CA ALA A 427 1 -ATOM 3256 C C . ALA A 1 427 . 15.285 81.755 66.302 1 24.95 ? C ALA A 427 1 -ATOM 3257 O O . ALA A 1 427 . 15.147 81.236 67.399 1 23.58 ? O ALA A 427 1 -ATOM 3258 C CB . ALA A 1 427 . 13.487 81.02 64.833 1 21.86 ? CB ALA A 427 1 -ATOM 3259 N N . SER A 1 428 . 15.636 83.023 66.1 1 27.92 ? N SER A 428 1 -ATOM 3260 C CA . SER A 1 428 . 15.952 83.883 67.235 1 27.44 ? CA SER A 428 1 -ATOM 3261 C C . SER A 1 428 . 14.768 84.113 68.163 1 27.61 ? C SER A 428 1 -ATOM 3262 O O . SER A 1 428 . 14.926 84.401 69.339 1 33.83 ? O SER A 428 1 -ATOM 3263 C CB . SER A 1 428 . 16.575 85.213 66.778 1 25.08 ? CB SER A 428 1 -ATOM 3264 O OG . SER A 1 428 . 15.802 85.842 65.75 1 27.48 ? OG SER A 428 1 -ATOM 3265 N N . ASN A 1 429 . 13.572 83.993 67.608 1 25.58 ? N ASN A 429 1 -ATOM 3266 C CA . ASN A 1 429 . 12.36 84.182 68.382 1 26.14 ? CA ASN A 429 1 -ATOM 3267 C C . ASN A 1 429 . 11.719 82.855 68.81 1 29.45 ? C ASN A 429 1 -ATOM 3268 O O . ASN A 1 429 . 10.538 82.806 69.149 1 31.59 ? O ASN A 429 1 -ATOM 3269 C CB . ASN A 1 429 . 11.36 85.021 67.566 1 27.84 ? CB ASN A 429 1 -ATOM 3270 C CG . ASN A 1 429 . 11.162 84.534 66.142 1 30.89 ? CG ASN A 429 1 -ATOM 3271 O OD1 . ASN A 1 429 . 11.689 83.507 65.72 1 28.88 ? OD1 ASN A 429 1 -ATOM 3272 N ND2 . ASN A 1 429 . 10.414 85.321 65.38 1 31.96 ? ND2 ASN A 429 1 -ATOM 3273 N N . LEU A 1 430 . 12.494 81.755 68.801 1 27.22 ? N LEU A 430 1 -ATOM 3274 C CA . LEU A 1 430 . 11.872 80.491 69.183 1 24.25 ? CA LEU A 430 1 -ATOM 3275 C C . LEU A 1 430 . 11.33 80.608 70.604 1 25.62 ? C LEU A 430 1 -ATOM 3276 O O . LEU A 1 430 . 12.05 81.102 71.463 1 28.75 ? O LEU A 430 1 -ATOM 3277 C CB . LEU A 1 430 . 12.928 79.358 69.116 1 22.89 ? CB LEU A 430 1 -ATOM 3278 C CG . LEU A 1 430 . 12.497 78.024 68.491 1 21.01 ? CG LEU A 430 1 -ATOM 3279 C CD1 . LEU A 1 430 . 11.098 77.558 68.878 1 25.25 ? CD1 LEU A 430 1 -ATOM 3280 C CD2 . LEU A 1 430 . 12.61 78.064 66.978 1 32.12 ? CD2 LEU A 430 1 -ATOM 3281 N N . VAL A 1 431 . 10.083 80.155 70.846 1 24.53 ? N VAL A 431 1 -ATOM 3282 C CA . VAL A 1 431 . 9.55 80.22 72.222 1 23.47 ? CA VAL A 431 1 -ATOM 3283 C C . VAL A 1 431 . 9.752 78.924 73.018 1 20.42 ? C VAL A 431 1 -ATOM 3284 O O . VAL A 1 431 . 9.338 78.79 74.157 1 22.54 ? O VAL A 431 1 -ATOM 3285 C CB . VAL A 1 431 . 8.045 80.571 72.22 1 20.23 ? CB VAL A 431 1 -ATOM 3286 C CG1 . VAL A 1 431 . 7.851 81.943 71.578 1 24.35 ? CG1 VAL A 431 1 -ATOM 3287 C CG2 . VAL A 1 431 . 7.178 79.519 71.508 1 17.82 ? CG2 VAL A 431 1 -ATOM 3288 N N . TRP A 1 432 . 10.322 77.925 72.377 1 16.34 ? N TRP A 432 1 -ATOM 3289 C CA . TRP A 1 432 . 10.549 76.664 73.056 1 14.4 ? CA TRP A 432 1 -ATOM 3290 C C . TRP A 1 432 . 11.928 76.825 73.709 1 13.99 ? C TRP A 432 1 -ATOM 3291 O O . TRP A 1 432 . 12.698 77.677 73.29 1 13.34 ? O TRP A 432 1 -ATOM 3292 C CB . TRP A 1 432 . 10.491 75.491 72.05 1 11.71 ? CB TRP A 432 1 -ATOM 3293 C CG . TRP A 1 432 . 9.087 75.215 71.549 1 13.78 ? CG TRP A 432 1 -ATOM 3294 C CD1 . TRP A 1 432 . 8.494 75.696 70.352 1 14.89 ? CD1 TRP A 432 1 -ATOM 3295 C CD2 . TRP A 1 432 . 8.113 74.417 72.184 1 15.44 ? CD2 TRP A 432 1 -ATOM 3296 N NE1 . TRP A 1 432 . 7.217 75.23 70.222 1 13.83 ? NE1 TRP A 432 1 -ATOM 3297 C CE2 . TRP A 1 432 . 6.919 74.434 71.305 1 16.22 ? CE2 TRP A 432 1 -ATOM 3298 C CE3 . TRP A 1 432 . 8.058 73.711 73.388 1 16.05 ? CE3 TRP A 432 1 -ATOM 3299 C CZ2 . TRP A 1 432 . 5.771 73.727 71.707 1 14.52 ? CZ2 TRP A 432 1 -ATOM 3300 C CZ3 . TRP A 1 432 . 6.884 73.027 73.752 1 15.01 ? CZ3 TRP A 432 1 -ATOM 3301 C CH2 . TRP A 1 432 . 5.757 73.028 72.921 1 12.98 ? CH2 TRP A 432 1 -ATOM 3302 N N . PRO A 1 433 . 12.245 76.018 74.743 1 12.67 ? N PRO A 433 1 -ATOM 3303 C CA . PRO A 1 433 . 13.523 76.153 75.404 1 9.19 ? CA PRO A 433 1 -ATOM 3304 C C . PRO A 1 433 . 14.678 75.802 74.534 1 12.11 ? C PRO A 433 1 -ATOM 3305 O O . PRO A 1 433 . 14.623 74.982 73.635 1 21.23 ? O PRO A 433 1 -ATOM 3306 C CB . PRO A 1 433 . 13.459 75.154 76.556 1 8.32 ? CB PRO A 433 1 -ATOM 3307 C CG . PRO A 1 433 . 12.309 74.202 76.229 1 4.9 ? CG PRO A 433 1 -ATOM 3308 C CD . PRO A 1 433 . 11.37 75.011 75.342 1 9.63 ? CD PRO A 433 1 -ATOM 3309 N N . GLU A 1 434 . 15.797 76.398 74.91 1 15.38 ? N GLU A 434 1 -ATOM 3310 C CA . GLU A 1 434 . 17.052 76.209 74.207 1 14.21 ? CA GLU A 434 1 -ATOM 3311 C C . GLU A 1 434 . 17.471 74.746 74.132 1 13.83 ? C GLU A 434 1 -ATOM 3312 O O . GLU A 1 434 . 18.152 74.354 73.203 1 17.17 ? O GLU A 434 1 -ATOM 3313 C CB . GLU A 1 434 . 18.131 77.082 74.901 1 12.25 ? CB GLU A 434 1 -ATOM 3314 C CG . GLU A 1 434 . 19.471 77.25 74.154 1 20.68 ? CG GLU A 434 1 -ATOM 3315 N N . TRP A 1 435 . 17.062 73.93 75.109 1 13.6 ? N TRP A 435 1 -ATOM 3316 C CA . TRP A 1 435 . 17.525 72.544 75.044 1 13.74 ? CA TRP A 435 1 -ATOM 3317 C C . TRP A 1 435 . 16.939 71.785 73.877 1 16.4 ? C TRP A 435 1 -ATOM 3318 O O . TRP A 1 435 . 17.517 70.819 73.4 1 23.41 ? O TRP A 435 1 -ATOM 3319 C CB . TRP A 1 435 . 17.391 71.777 76.402 1 13.33 ? CB TRP A 435 1 -ATOM 3320 C CG . TRP A 1 435 . 15.962 71.442 76.812 1 7.61 ? CG TRP A 435 1 -ATOM 3321 C CD1 . TRP A 1 435 . 15.117 72.204 77.65 1 5.44 ? CD1 TRP A 435 1 -ATOM 3322 C CD2 . TRP A 1 435 . 15.215 70.325 76.407 1 5.75 ? CD2 TRP A 435 1 -ATOM 3323 N NE1 . TRP A 1 435 . 13.895 71.623 77.769 1 2 ? NE1 TRP A 435 1 -ATOM 3324 C CE2 . TRP A 1 435 . 13.876 70.476 77.028 1 4 ? CE2 TRP A 435 1 -ATOM 3325 C CE3 . TRP A 1 435 . 15.492 69.206 75.613 1 5.4 ? CE3 TRP A 435 1 -ATOM 3326 C CZ2 . TRP A 1 435 . 12.889 69.511 76.783 1 5.82 ? CZ2 TRP A 435 1 -ATOM 3327 C CZ3 . TRP A 1 435 . 14.484 68.25 75.403 1 9.91 ? CZ3 TRP A 435 1 -ATOM 3328 C CH2 . TRP A 1 435 . 13.197 68.405 75.967 1 8.73 ? CH2 TRP A 435 1 -ATOM 3329 N N . MET A 1 436 . 15.758 72.216 73.436 1 16.03 ? N MET A 436 1 -ATOM 3330 C CA . MET A 1 436 . 15.126 71.534 72.318 1 17.89 ? CA MET A 436 1 -ATOM 3331 C C . MET A 1 436 . 15.859 71.83 70.984 1 20.1 ? C MET A 436 1 -ATOM 3332 O O . MET A 1 436 . 15.715 71.137 69.985 1 20.8 ? O MET A 436 1 -ATOM 3333 C CB . MET A 1 436 . 13.632 71.873 72.286 1 14.73 ? CB MET A 436 1 -ATOM 3334 C CG . MET A 1 436 . 12.913 71.395 73.543 1 10.31 ? CG MET A 436 1 -ATOM 3335 S SD . MET A 1 436 . 11.19 71.974 73.524 1 13.56 ? SD MET A 436 1 -ATOM 3336 C CE . MET A 1 436 . 10.487 70.82 72.309 1 13.12 ? CE MET A 436 1 -ATOM 3337 N N . GLY A 1 437 . 16.66 72.895 70.964 1 20.64 ? N GLY A 437 1 -ATOM 3338 C CA . GLY A 1 437 . 17.403 73.168 69.739 1 18.75 ? CA GLY A 437 1 -ATOM 3339 C C . GLY A 1 437 . 16.552 73.492 68.521 1 17.03 ? C GLY A 437 1 -ATOM 3340 O O . GLY A 1 437 . 15.594 74.256 68.593 1 18.08 ? O GLY A 437 1 -ATOM 3341 N N . VAL A 1 438 . 16.977 72.905 67.382 1 12.62 ? N VAL A 438 1 -ATOM 3342 C CA . VAL A 1 438 . 16.33 73.055 66.081 1 9.94 ? CA VAL A 438 1 -ATOM 3343 C C . VAL A 1 438 . 15.27 71.965 66.028 1 6.84 ? C VAL A 438 1 -ATOM 3344 O O . VAL A 1 438 . 15.538 70.83 65.653 1 2 ? O VAL A 438 1 -ATOM 3345 C CB . VAL A 1 438 . 17.385 72.902 64.976 1 6.49 ? CB VAL A 438 1 -ATOM 3346 C CG1 . VAL A 1 438 . 16.813 73.247 63.604 1 12.47 ? CG1 VAL A 438 1 -ATOM 3347 C CG2 . VAL A 1 438 . 18.622 73.766 65.262 1 4.15 ? CG2 VAL A 438 1 -ATOM 3348 N N . ILE A 1 439 . 14.062 72.371 66.379 1 8.21 ? N ILE A 439 1 -ATOM 3349 C CA . ILE A 1 439 . 12.963 71.434 66.493 1 9.83 ? CA ILE A 439 1 -ATOM 3350 C C . ILE A 1 439 . 12.315 70.981 65.199 1 12.68 ? C ILE A 439 1 -ATOM 3351 O O . ILE A 1 439 . 12.24 71.645 64.166 1 17.5 ? O ILE A 439 1 -ATOM 3352 C CB . ILE A 1 439 . 11.928 72.134 67.412 1 8.73 ? CB ILE A 439 1 -ATOM 3353 C CG1 . ILE A 1 439 . 12.536 72.553 68.764 1 5.52 ? CG1 ILE A 439 1 -ATOM 3354 C CG2 . ILE A 1 439 . 10.641 71.337 67.687 1 9.39 ? CG2 ILE A 439 1 -ATOM 3355 C CD1 . ILE A 1 439 . 11.738 73.672 69.435 1 2 ? CD1 ILE A 439 1 -ATOM 3356 N N . HIS A 1 440 . 11.787 69.767 65.315 1 10.68 ? N HIS A 440 1 -ATOM 3357 C CA . HIS A 1 440 . 11.053 69.108 64.252 1 9.48 ? CA HIS A 440 1 -ATOM 3358 C C . HIS A 1 440 . 9.911 70.051 63.934 1 9.31 ? C HIS A 440 1 -ATOM 3359 O O . HIS A 1 440 . 9.208 70.462 64.829 1 8.12 ? O HIS A 440 1 -ATOM 3360 C CB . HIS A 1 440 . 10.55 67.777 64.839 1 8.57 ? CB HIS A 440 1 -ATOM 3361 C CG . HIS A 1 440 . 9.657 66.946 63.948 1 7.99 ? CG HIS A 440 1 -ATOM 3362 N ND1 . HIS A 1 440 . 10.086 66.014 63.073 1 6.63 ? ND1 HIS A 440 1 -ATOM 3363 C CD2 . HIS A 1 440 . 8.24 66.895 63.984 1 9.96 ? CD2 HIS A 440 1 -ATOM 3364 C CE1 . HIS A 1 440 . 8.975 65.395 62.6 1 12.43 ? CE1 HIS A 440 1 -ATOM 3365 N NE2 . HIS A 1 440 . 7.845 65.912 63.137 1 10.39 ? NE2 HIS A 440 1 -ATOM 3366 N N . GLY A 1 441 . 9.782 70.443 62.665 1 12.04 ? N GLY A 441 1 -ATOM 3367 C CA . GLY A 1 441 . 8.713 71.358 62.293 1 8.35 ? CA GLY A 441 1 -ATOM 3368 C C . GLY A 1 441 . 9.18 72.772 62.174 1 8.92 ? C GLY A 441 1 -ATOM 3369 O O . GLY A 1 441 . 8.565 73.583 61.507 1 9.77 ? O GLY A 441 1 -ATOM 3370 N N . TYR A 1 442 . 10.356 73.065 62.706 1 8.66 ? N TYR A 442 1 -ATOM 3371 C CA . TYR A 1 442 . 10.755 74.475 62.684 1 11.82 ? CA TYR A 442 1 -ATOM 3372 C C . TYR A 1 442 . 11.364 75.119 61.445 1 13.54 ? C TYR A 442 1 -ATOM 3373 O O . TYR A 1 442 . 11.672 76.305 61.457 1 20.09 ? O TYR A 442 1 -ATOM 3374 C CB . TYR A 1 442 . 11.369 74.815 64.079 1 11.19 ? CB TYR A 442 1 -ATOM 3375 C CG . TYR A 1 442 . 10.204 74.997 65.047 1 7.21 ? CG TYR A 442 1 -ATOM 3376 C CD1 . TYR A 1 442 . 9.504 73.889 65.567 1 5.33 ? CD1 TYR A 442 1 -ATOM 3377 C CD2 . TYR A 1 442 . 9.715 76.291 65.292 1 2 ? CD2 TYR A 442 1 -ATOM 3378 C CE1 . TYR A 1 442 . 8.32 74.07 66.286 1 2 ? CE1 TYR A 442 1 -ATOM 3379 C CE2 . TYR A 1 442 . 8.531 76.476 66.001 1 2 ? CE2 TYR A 442 1 -ATOM 3380 C CZ . TYR A 1 442 . 7.836 75.369 66.49 1 4.13 ? CZ TYR A 442 1 -ATOM 3381 O OH . TYR A 1 442 . 6.66 75.593 67.164 1 13.11 ? OH TYR A 442 1 -ATOM 3382 N N . GLU A 1 443 . 11.519 74.358 60.342 1 15.74 ? N GLU A 443 1 -ATOM 3383 C CA . GLU A 1 443 . 12.072 74.942 59.086 1 7.98 ? CA GLU A 443 1 -ATOM 3384 C C . GLU A 1 443 . 10.944 75.473 58.23 1 5.61 ? C GLU A 443 1 -ATOM 3385 O O . GLU A 1 443 . 11.091 76.316 57.364 1 7.19 ? O GLU A 443 1 -ATOM 3386 C CB . GLU A 1 443 . 12.889 73.972 58.219 1 9.6 ? CB GLU A 443 1 -ATOM 3387 C CG . GLU A 1 443 . 12.093 72.991 57.312 1 7.55 ? CG GLU A 443 1 -ATOM 3388 C CD . GLU A 1 443 . 11.196 72.053 58.088 1 6.46 ? CD GLU A 443 1 -ATOM 3389 O OE1 . GLU A 1 443 . 11.514 71.797 59.235 1 8.12 ? OE1 GLU A 443 1 -ATOM 3390 O OE2 . GLU A 1 443 . 10.196 71.582 57.551 1 6.22 ? OE2 GLU A 443 1 -ATOM 3391 N N . ILE A 1 444 . 9.757 74.944 58.494 1 3.67 ? N ILE A 444 1 -ATOM 3392 C CA . ILE A 1 444 . 8.602 75.371 57.745 1 2.76 ? CA ILE A 444 1 -ATOM 3393 C C . ILE A 1 444 . 8.391 76.89 57.829 1 6.05 ? C ILE A 444 1 -ATOM 3394 O O . ILE A 1 444 . 7.849 77.504 56.938 1 9.34 ? O ILE A 444 1 -ATOM 3395 C CB . ILE A 1 444 . 7.359 74.564 58.209 1 2 ? CB ILE A 444 1 -ATOM 3396 C CG1 . ILE A 1 444 . 7.604 73.028 58.241 1 5.67 ? CG1 ILE A 444 1 -ATOM 3397 C CG2 . ILE A 1 444 . 6.15 74.919 57.348 1 3.61 ? CG2 ILE A 444 1 -ATOM 3398 C CD1 . ILE A 1 444 . 6.379 72.173 58.631 1 2 ? CD1 ILE A 444 1 -ATOM 3399 N N . GLU A 1 445 . 8.84 77.54 58.906 1 16.65 ? N GLU A 445 1 -ATOM 3400 C CA . GLU A 1 445 . 8.601 78.992 58.98 1 17.1 ? CA GLU A 445 1 -ATOM 3401 C C . GLU A 1 445 . 9.356 79.694 57.924 1 14.25 ? C GLU A 445 1 -ATOM 3402 O O . GLU A 1 445 . 8.937 80.729 57.438 1 8.96 ? O GLU A 445 1 -ATOM 3403 C CB . GLU A 1 445 . 9.088 79.671 60.292 1 24.89 ? CB GLU A 445 1 -ATOM 3404 C CG . GLU A 1 445 . 8.687 78.932 61.563 1 25.68 ? CG GLU A 445 1 -ATOM 3405 C CD . GLU A 1 445 . 9.181 79.521 62.848 1 31.64 ? CD GLU A 445 1 -ATOM 3406 O OE1 . GLU A 1 445 . 10.321 79.998 62.881 1 28.92 ? OE1 GLU A 445 1 -ATOM 3407 O OE2 . GLU A 1 445 . 8.421 79.476 63.819 1 35.91 ? OE2 GLU A 445 1 -ATOM 3408 N N . PHE A 1 446 . 10.512 79.084 57.639 1 14.43 ? N PHE A 446 1 -ATOM 3409 C CA . PHE A 1 446 . 11.436 79.601 56.65 1 17.47 ? CA PHE A 446 1 -ATOM 3410 C C . PHE A 1 446 . 10.935 79.364 55.231 1 17.92 ? C PHE A 446 1 -ATOM 3411 O O . PHE A 1 446 . 10.854 80.285 54.429 1 17.24 ? O PHE A 446 1 -ATOM 3412 C CB . PHE A 1 446 . 12.841 79.006 56.892 1 14.25 ? CB PHE A 446 1 -ATOM 3413 C CG . PHE A 1 446 . 13.479 79.696 58.073 1 18.46 ? CG PHE A 446 1 -ATOM 3414 C CD1 . PHE A 1 446 . 13.109 79.356 59.382 1 21.45 ? CD1 PHE A 446 1 -ATOM 3415 C CD2 . PHE A 1 446 . 14.397 80.744 57.865 1 17.73 ? CD2 PHE A 446 1 -ATOM 3416 C CE1 . PHE A 1 446 . 13.632 80.089 60.462 1 25.35 ? CE1 PHE A 446 1 -ATOM 3417 C CE2 . PHE A 1 446 . 14.922 81.463 58.941 1 16.63 ? CE2 PHE A 446 1 -ATOM 3418 C CZ . PHE A 1 446 . 14.533 81.146 60.246 1 17.92 ? CZ PHE A 446 1 -ATOM 3419 N N . VAL A 1 447 . 10.587 78.103 54.953 1 15.23 ? N VAL A 447 1 -ATOM 3420 C CA . VAL A 1 447 . 10.097 77.751 53.637 1 11.34 ? CA VAL A 447 1 -ATOM 3421 C C . VAL A 1 447 . 8.867 78.578 53.236 1 13.43 ? C VAL A 447 1 -ATOM 3422 O O . VAL A 1 447 . 8.675 78.844 52.058 1 18.88 ? O VAL A 447 1 -ATOM 3423 C CB . VAL A 1 447 . 9.843 76.228 53.599 1 9.38 ? CB VAL A 447 1 -ATOM 3424 C CG1 . VAL A 1 447 . 9.027 75.75 52.392 1 4.32 ? CG1 VAL A 447 1 -ATOM 3425 C CG2 . VAL A 1 447 . 11.168 75.435 53.691 1 3.9 ? CG2 VAL A 447 1 -ATOM 3426 N N . PHE A 1 448 . 8.042 78.981 54.207 1 4.53 ? N PHE A 448 1 -ATOM 3427 C CA . PHE A 1 448 . 6.869 79.755 53.84 1 3.52 ? CA PHE A 448 1 -ATOM 3428 C C . PHE A 1 448 . 7.071 81.254 53.952 1 7.21 ? C PHE A 448 1 -ATOM 3429 O O . PHE A 1 448 . 6.141 82.041 53.829 1 10.21 ? O PHE A 448 1 -ATOM 3430 C CB . PHE A 1 448 . 5.622 79.283 54.591 1 3.13 ? CB PHE A 448 1 -ATOM 3431 C CG . PHE A 1 448 . 4.956 78.088 53.952 1 3.83 ? CG PHE A 448 1 -ATOM 3432 C CD1 . PHE A 1 448 . 5.567 76.827 53.991 1 2.43 ? CD1 PHE A 448 1 -ATOM 3433 C CD2 . PHE A 1 448 . 3.705 78.237 53.307 1 6.22 ? CD2 PHE A 448 1 -ATOM 3434 C CE1 . PHE A 1 448 . 4.929 75.722 53.393 1 9.88 ? CE1 PHE A 448 1 -ATOM 3435 C CE2 . PHE A 1 448 . 3.07 77.138 52.709 1 5.13 ? CE2 PHE A 448 1 -ATOM 3436 C CZ . PHE A 1 448 . 3.685 75.876 52.751 1 8.76 ? CZ PHE A 448 1 -ATOM 3437 N N . GLY A 1 449 . 8.302 81.669 54.212 1 12.35 ? N GLY A 449 1 -ATOM 3438 C CA . GLY A 1 449 . 8.601 83.113 54.262 1 19.06 ? CA GLY A 449 1 -ATOM 3439 C C . GLY A 1 449 . 8.035 83.979 55.378 1 22.16 ? C GLY A 449 1 -ATOM 3440 O O . GLY A 1 449 . 7.885 85.192 55.224 1 23.38 ? O GLY A 449 1 -ATOM 3441 N N . LEU A 1 450 . 7.735 83.363 56.538 1 23.86 ? N LEU A 450 1 -ATOM 3442 C CA . LEU A 1 450 . 7.219 84.19 57.634 1 20.32 ? CA LEU A 450 1 -ATOM 3443 C C . LEU A 1 450 . 8.256 85.211 58.121 1 17.7 ? C LEU A 450 1 -ATOM 3444 O O . LEU A 1 450 . 7.883 86.31 58.488 1 16.68 ? O LEU A 450 1 -ATOM 3445 C CB . LEU A 1 450 . 6.676 83.381 58.824 1 18.87 ? CB LEU A 450 1 -ATOM 3446 C CG . LEU A 1 450 . 5.459 82.475 58.544 1 19.02 ? CG LEU A 450 1 -ATOM 3447 C CD1 . LEU A 1 450 . 4.479 82.48 59.723 1 23.46 ? CD1 LEU A 450 1 -ATOM 3448 C CD2 . LEU A 1 450 . 4.688 82.824 57.271 1 23.14 ? CD2 LEU A 450 1 -ATOM 3449 N N . PRO A 1 451 . 9.564 84.906 58.111 1 16.06 ? N PRO A 451 1 -ATOM 3450 C CA . PRO A 1 451 . 10.523 85.973 58.367 1 20.2 ? CA PRO A 451 1 -ATOM 3451 C C . PRO A 1 451 . 10.389 87.265 57.568 1 25.32 ? C PRO A 451 1 -ATOM 3452 O O . PRO A 1 451 . 10.988 88.278 57.919 1 30.73 ? O PRO A 451 1 -ATOM 3453 C CB . PRO A 1 451 . 11.898 85.312 58.167 1 16.42 ? CB PRO A 451 1 -ATOM 3454 C CG . PRO A 1 451 . 11.663 83.804 58.374 1 13.92 ? CG PRO A 451 1 -ATOM 3455 C CD . PRO A 1 451 . 10.182 83.586 58.012 1 15.33 ? CD PRO A 451 1 -ATOM 3456 N N . LEU A 1 452 . 9.636 87.218 56.456 1 30.14 ? N LEU A 452 1 -ATOM 3457 C CA . LEU A 1 452 . 9.477 88.436 55.666 1 31.12 ? CA LEU A 452 1 -ATOM 3458 C C . LEU A 1 452 . 8.561 89.402 56.374 1 32.76 ? C LEU A 452 1 -ATOM 3459 O O . LEU A 1 452 . 8.601 90.608 56.162 1 34.65 ? O LEU A 452 1 -ATOM 3460 C CB . LEU A 1 452 . 8.945 88.149 54.262 1 28.34 ? CB LEU A 452 1 -ATOM 3461 C CG . LEU A 1 452 . 9.855 87.242 53.419 1 25.04 ? CG LEU A 452 1 -ATOM 3462 C CD1 . LEU A 1 452 . 9.64 87.572 51.947 1 29.84 ? CD1 LEU A 452 1 -ATOM 3463 C CD2 . LEU A 1 452 . 11.347 87.363 53.738 1 21.13 ? CD2 LEU A 452 1 -ATOM 3464 N N . VAL A 1 453 . 7.715 88.831 57.23 1 33.5 ? N VAL A 453 1 -ATOM 3465 C CA . VAL A 1 453 . 6.785 89.616 58.003 1 35.18 ? CA VAL A 453 1 -ATOM 3466 C C . VAL A 1 453 . 7.585 90.214 59.143 1 37.58 ? C VAL A 453 1 -ATOM 3467 O O . VAL A 1 453 . 7.915 89.555 60.116 1 41.33 ? O VAL A 453 1 -ATOM 3468 C CB . VAL A 1 453 . 5.67 88.683 58.497 1 33.52 ? CB VAL A 453 1 -ATOM 3469 C CG1 . VAL A 1 453 . 4.555 89.448 59.213 1 36.53 ? CG1 VAL A 453 1 -ATOM 3470 C CG2 . VAL A 1 453 . 5.056 87.869 57.338 1 35.81 ? CG2 VAL A 453 1 -ATOM 3471 N N . LYS A 1 454 . 7.877 91.503 59.035 1 42.92 ? N LYS A 454 1 -ATOM 3472 C CA . LYS A 1 454 . 8.669 92.165 60.076 1 47.9 ? CA LYS A 454 1 -ATOM 3473 C C . LYS A 1 454 . 8.02 92.125 61.467 1 47.66 ? C LYS A 454 1 -ATOM 3474 O O . LYS A 1 454 . 8.691 92.052 62.489 1 47.79 ? O LYS A 454 1 -ATOM 3475 C CB . LYS A 1 454 . 9.056 93.591 59.627 1 51.97 ? CB LYS A 454 1 -ATOM 3476 C CG . LYS A 1 454 . 9.627 93.678 58.174 1 61.84 ? CG LYS A 454 1 -ATOM 3477 C CD . LYS A 1 454 . 11.067 93.135 57.962 1 65.28 ? CD LYS A 454 1 -ATOM 3478 C CE . LYS A 1 454 . 11.212 91.6 57.792 1 69.26 ? CE LYS A 454 1 -ATOM 3479 N NZ . LYS A 1 454 . 12.612 91.209 57.883 1 74.01 ? NZ LYS A 454 1 -ATOM 3480 N N . GLU A 1 455 . 6.675 92.124 61.481 1 45.37 ? N GLU A 455 1 -ATOM 3481 C CA . GLU A 1 455 . 5.96 92.071 62.763 1 38.25 ? CA GLU A 455 1 -ATOM 3482 C C . GLU A 1 455 . 6.248 90.803 63.54 1 35.88 ? C GLU A 455 1 -ATOM 3483 O O . GLU A 1 455 . 5.957 90.725 64.719 1 37.11 ? O GLU A 455 1 -ATOM 3484 C CB . GLU A 1 455 . 4.42 92.127 62.657 1 37.95 ? CB GLU A 455 1 -ATOM 3485 N N . LEU A 1 456 . 6.81 89.791 62.886 1 31.87 ? N LEU A 456 1 -ATOM 3486 C CA . LEU A 1 456 . 7.071 88.568 63.621 1 30.7 ? CA LEU A 456 1 -ATOM 3487 C C . LEU A 1 456 . 8.401 88.558 64.368 1 32.17 ? C LEU A 456 1 -ATOM 3488 O O . LEU A 1 456 . 8.719 87.593 65.061 1 30.98 ? O LEU A 456 1 -ATOM 3489 C CB . LEU A 1 456 . 6.879 87.37 62.708 1 30.84 ? CB LEU A 456 1 -ATOM 3490 C CG . LEU A 1 456 . 5.485 87.371 62.068 1 31.62 ? CG LEU A 456 1 -ATOM 3491 C CD1 . LEU A 1 456 . 5.31 86.161 61.149 1 36.79 ? CD1 LEU A 456 1 -ATOM 3492 C CD2 . LEU A 1 456 . 4.328 87.46 63.076 1 27.13 ? CD2 LEU A 456 1 -ATOM 3493 N N . ASN A 1 457 . 9.185 89.624 64.218 1 31.39 ? N ASN A 457 1 -ATOM 3494 C CA . ASN A 1 457 . 10.453 89.752 64.958 1 35.14 ? CA ASN A 457 1 -ATOM 3495 C C . ASN A 1 457 . 11.59 88.804 64.619 1 32.17 ? C ASN A 457 1 -ATOM 3496 O O . ASN A 1 457 . 12.171 88.197 65.517 1 32 ? O ASN A 457 1 -ATOM 3497 C CB . ASN A 1 457 . 10.273 89.624 66.508 1 43.52 ? CB ASN A 457 1 -ATOM 3498 C CG . ASN A 1 457 . 9.348 90.65 67.137 1 49.23 ? CG ASN A 457 1 -ATOM 3499 O OD1 . ASN A 1 457 . 9.71 91.802 67.325 1 54.33 ? OD1 ASN A 457 1 -ATOM 3500 N ND2 . ASN A 1 457 . 8.133 90.219 67.469 1 51.9 ? ND2 ASN A 457 1 -ATOM 3501 N N . TYR A 1 458 . 11.913 88.633 63.338 1 28.42 ? N TYR A 458 1 -ATOM 3502 C CA . TYR A 1 458 . 13.045 87.738 63.059 1 25.04 ? CA TYR A 458 1 -ATOM 3503 C C . TYR A 1 458 . 14.182 88.661 62.723 1 24.07 ? C TYR A 458 1 -ATOM 3504 O O . TYR A 1 458 . 13.974 89.827 62.42 1 25.65 ? O TYR A 458 1 -ATOM 3505 C CB . TYR A 1 458 . 12.794 86.785 61.881 1 20 ? CB TYR A 458 1 -ATOM 3506 C CG . TYR A 1 458 . 11.774 85.705 62.144 1 15.51 ? CG TYR A 458 1 -ATOM 3507 C CD1 . TYR A 1 458 . 10.402 85.989 61.988 1 15.4 ? CD1 TYR A 458 1 -ATOM 3508 C CD2 . TYR A 1 458 . 12.175 84.39 62.453 1 12.32 ? CD2 TYR A 458 1 -ATOM 3509 C CE1 . TYR A 1 458 . 9.447 84.962 62.057 1 11.67 ? CE1 TYR A 458 1 -ATOM 3510 C CE2 . TYR A 1 458 . 11.221 83.364 62.531 1 12.05 ? CE2 TYR A 458 1 -ATOM 3511 C CZ . TYR A 1 458 . 9.861 83.644 62.307 1 12.36 ? CZ TYR A 458 1 -ATOM 3512 O OH . TYR A 1 458 . 8.926 82.623 62.289 1 16.52 ? OH TYR A 458 1 -ATOM 3513 N N . THR A 1 459 . 15.397 88.146 62.764 1 25.51 ? N THR A 459 1 -ATOM 3514 C CA . THR A 1 459 . 16.491 89.042 62.421 1 30.49 ? CA THR A 459 1 -ATOM 3515 C C . THR A 1 459 . 16.556 89.189 60.907 1 34.22 ? C THR A 459 1 -ATOM 3516 O O . THR A 1 459 . 16.074 88.354 60.138 1 38.2 ? O THR A 459 1 -ATOM 3517 C CB . THR A 1 459 . 17.828 88.505 62.978 1 31.63 ? CB THR A 459 1 -ATOM 3518 O OG1 . THR A 1 459 . 18.006 87.127 62.639 1 32.54 ? OG1 THR A 459 1 -ATOM 3519 C CG2 . THR A 1 459 . 17.895 88.568 64.503 1 37.27 ? CG2 THR A 459 1 -ATOM 3520 N N . ALA A 1 460 . 17.256 90.25 60.485 1 35.28 ? N ALA A 460 1 -ATOM 3521 C CA . ALA A 1 460 . 17.392 90.463 59.049 1 31.19 ? CA ALA A 460 1 -ATOM 3522 C C . ALA A 1 460 . 18.147 89.318 58.423 1 31 ? C ALA A 460 1 -ATOM 3523 O O . ALA A 1 460 . 17.868 88.901 57.311 1 36.66 ? O ALA A 460 1 -ATOM 3524 C CB . ALA A 1 460 . 18.138 91.756 58.74 1 31.44 ? CB ALA A 460 1 -ATOM 3525 N N . GLU A 1 461 . 19.12 88.794 59.182 1 26.39 ? N GLU A 461 1 -ATOM 3526 C CA . GLU A 1 461 . 19.89 87.674 58.654 1 23.78 ? CA GLU A 461 1 -ATOM 3527 C C . GLU A 1 461 . 18.974 86.461 58.393 1 23.06 ? C GLU A 461 1 -ATOM 3528 O O . GLU A 1 461 . 19.246 85.601 57.572 1 26.98 ? O GLU A 461 1 -ATOM 3529 C CB . GLU A 1 461 . 21.064 87.271 59.585 1 25.76 ? CB GLU A 461 1 -ATOM 3530 C CG . GLU A 1 461 . 21.864 88.405 60.275 1 31.33 ? CG GLU A 461 1 -ATOM 3531 N N . GLU A 1 462 . 17.866 86.374 59.133 1 22.8 ? N GLU A 462 1 -ATOM 3532 C CA . GLU A 1 462 . 16.933 85.262 58.938 1 22.36 ? CA GLU A 462 1 -ATOM 3533 C C . GLU A 1 462 . 16.067 85.557 57.749 1 23.82 ? C GLU A 462 1 -ATOM 3534 O O . GLU A 1 462 . 15.62 84.657 57.053 1 26.24 ? O GLU A 462 1 -ATOM 3535 C CB . GLU A 1 462 . 16.067 85.018 60.182 1 19.23 ? CB GLU A 462 1 -ATOM 3536 C CG . GLU A 1 462 . 16.911 84.411 61.317 1 16.08 ? CG GLU A 462 1 -ATOM 3537 C CD . GLU A 1 462 . 16.242 84.428 62.681 1 16.57 ? CD GLU A 462 1 -ATOM 3538 O OE1 . GLU A 1 462 . 15.343 85.249 62.9 1 10.48 ? OE1 GLU A 462 1 -ATOM 3539 O OE2 . GLU A 1 462 . 16.636 83.613 63.518 1 6.73 ? OE2 GLU A 462 1 -ATOM 3540 N N . GLU A 1 463 . 15.804 86.853 57.519 1 26.21 ? N GLU A 463 1 -ATOM 3541 C CA . GLU A 1 463 . 15 87.209 56.343 1 27.74 ? CA GLU A 463 1 -ATOM 3542 C C . GLU A 1 463 . 15.748 86.741 55.097 1 24.31 ? C GLU A 463 1 -ATOM 3543 O O . GLU A 1 463 . 15.214 86.181 54.152 1 23.26 ? O GLU A 463 1 -ATOM 3544 C CB . GLU A 1 463 . 14.741 88.72 56.214 1 33.13 ? CB GLU A 463 1 -ATOM 3545 C CG . GLU A 1 463 . 13.667 88.991 55.142 1 43.02 ? CG GLU A 463 1 -ATOM 3546 C CD . GLU A 1 463 . 13.678 90.403 54.567 1 49.44 ? CD GLU A 463 1 -ATOM 3547 O OE1 . GLU A 1 463 . 14.724 90.82 54.065 1 55.82 ? OE1 GLU A 463 1 -ATOM 3548 O OE2 . GLU A 1 463 . 12.639 91.071 54.602 1 52.07 ? OE2 GLU A 463 1 -ATOM 3549 N N . ALA A 1 464 . 17.053 86.988 55.147 1 21.45 ? N ALA A 464 1 -ATOM 3550 C CA . ALA A 1 464 . 17.904 86.571 54.059 1 17.4 ? CA ALA A 464 1 -ATOM 3551 C C . ALA A 1 464 . 17.806 85.072 53.872 1 16.84 ? C ALA A 464 1 -ATOM 3552 O O . ALA A 1 464 . 17.625 84.578 52.772 1 23.96 ? O ALA A 464 1 -ATOM 3553 C CB . ALA A 1 464 . 19.359 86.947 54.361 1 18 ? CB ALA A 464 1 -ATOM 3554 N N . LEU A 1 465 . 17.917 84.353 54.99 1 14.92 ? N LEU A 465 1 -ATOM 3555 C CA . LEU A 1 465 . 17.84 82.901 54.957 1 11.99 ? CA LEU A 465 1 -ATOM 3556 C C . LEU A 1 465 . 16.538 82.392 54.346 1 13.91 ? C LEU A 465 1 -ATOM 3557 O O . LEU A 1 465 . 16.581 81.508 53.502 1 14.21 ? O LEU A 465 1 -ATOM 3558 C CB . LEU A 1 465 . 18.063 82.291 56.357 1 10.67 ? CB LEU A 465 1 -ATOM 3559 C CG . LEU A 1 465 . 18.192 80.753 56.381 1 11.62 ? CG LEU A 465 1 -ATOM 3560 C CD1 . LEU A 1 465 . 19.344 80.255 55.509 1 19.35 ? CD1 LEU A 465 1 -ATOM 3561 C CD2 . LEU A 1 465 . 18.403 80.203 57.788 1 11.16 ? CD2 LEU A 465 1 -ATOM 3562 N N . SER A 1 466 . 15.367 82.933 54.737 1 12.62 ? N SER A 466 1 -ATOM 3563 C CA . SER A 1 466 . 14.166 82.366 54.11 1 17.34 ? CA SER A 466 1 -ATOM 3564 C C . SER A 1 466 . 14.102 82.694 52.637 1 22.63 ? C SER A 466 1 -ATOM 3565 O O . SER A 1 466 . 13.545 81.933 51.858 1 26.36 ? O SER A 466 1 -ATOM 3566 C CB . SER A 1 466 . 12.832 82.685 54.78 1 14.63 ? CB SER A 466 1 -ATOM 3567 O OG . SER A 1 466 . 12.762 84.077 55.007 1 25.19 ? OG SER A 466 1 -ATOM 3568 N N . ARG A 1 467 . 14.675 83.836 52.233 1 22.38 ? N ARG A 467 1 -ATOM 3569 C CA . ARG A 1 467 . 14.612 84.09 50.803 1 20.89 ? CA ARG A 467 1 -ATOM 3570 C C . ARG A 1 467 . 15.467 83.065 50.051 1 20.9 ? C ARG A 467 1 -ATOM 3571 O O . ARG A 1 467 . 15.126 82.65 48.949 1 22.37 ? O ARG A 467 1 -ATOM 3572 C CB . ARG A 1 467 . 15.008 85.515 50.486 1 20.62 ? CB ARG A 467 1 -ATOM 3573 C CG . ARG A 1 467 . 14.021 86.543 51.059 1 24.03 ? CG ARG A 467 1 -ATOM 3574 C CD . ARG A 1 467 . 14.477 87.965 50.698 1 29.71 ? CD ARG A 467 1 -ATOM 3575 N NE . ARG A 1 467 . 13.686 88.998 51.343 1 34.93 ? NE ARG A 467 1 -ATOM 3576 C CZ . ARG A 1 467 . 12.56 89.506 50.812 1 36.36 ? CZ ARG A 467 1 -ATOM 3577 N NH1 . ARG A 1 467 . 12.048 89.034 49.678 1 36.65 ? NH1 ARG A 467 1 -ATOM 3578 N NH2 . ARG A 1 467 . 11.944 90.507 51.441 1 40.08 ? NH2 ARG A 467 1 -ATOM 3579 N N . ARG A 1 468 . 16.576 82.636 50.669 1 17.65 ? N ARG A 468 1 -ATOM 3580 C CA . ARG A 1 468 . 17.387 81.648 49.973 1 19.11 ? CA ARG A 468 1 -ATOM 3581 C C . ARG A 1 468 . 16.678 80.334 49.9 1 20.33 ? C ARG A 468 1 -ATOM 3582 O O . ARG A 1 468 . 16.709 79.626 48.903 1 22.41 ? O ARG A 468 1 -ATOM 3583 C CB . ARG A 1 468 . 18.738 81.36 50.64 1 18.67 ? CB ARG A 468 1 -ATOM 3584 C CG . ARG A 1 468 . 19.467 82.632 51.088 1 28.44 ? CG ARG A 468 1 -ATOM 3585 C CD . ARG A 1 468 . 21.002 82.519 51.106 1 34.04 ? CD ARG A 468 1 -ATOM 3586 N NE . ARG A 1 468 . 21.519 81.658 52.167 1 40.98 ? NE ARG A 468 1 -ATOM 3587 C CZ . ARG A 1 468 . 21.745 80.345 51.975 1 44.67 ? CZ ARG A 468 1 -ATOM 3588 N NH1 . ARG A 1 468 . 21.341 79.745 50.866 1 46.16 ? NH1 ARG A 468 1 -ATOM 3589 N NH2 . ARG A 1 468 . 22.383 79.621 52.895 1 46.32 ? NH2 ARG A 468 1 -ATOM 3590 N N . ILE A 1 469 . 16.03 80.025 51.022 1 20.68 ? N ILE A 469 1 -ATOM 3591 C CA . ILE A 1 469 . 15.311 78.769 51.105 1 19.33 ? CA ILE A 469 1 -ATOM 3592 C C . ILE A 1 469 . 14.193 78.758 50.084 1 19.36 ? C ILE A 469 1 -ATOM 3593 O O . ILE A 1 469 . 14.06 77.842 49.284 1 23.77 ? O ILE A 469 1 -ATOM 3594 C CB . ILE A 1 469 . 14.783 78.529 52.537 1 17.87 ? CB ILE A 469 1 -ATOM 3595 C CG1 . ILE A 1 469 . 15.877 78.713 53.626 1 17.95 ? CG1 ILE A 469 1 -ATOM 3596 C CG2 . ILE A 1 469 . 14.077 77.177 52.658 1 17.95 ? CG2 ILE A 469 1 -ATOM 3597 C CD1 . ILE A 1 469 . 16.398 77.436 54.273 1 10.76 ? CD1 ILE A 469 1 -ATOM 3598 N N . MET A 1 470 . 13.39 79.821 50.11 1 16.41 ? N MET A 470 1 -ATOM 3599 C CA . MET A 1 470 . 12.27 79.928 49.189 1 16.31 ? CA MET A 470 1 -ATOM 3600 C C . MET A 1 470 . 12.703 79.892 47.736 1 16.06 ? C MET A 470 1 -ATOM 3601 O O . MET A 1 470 . 11.992 79.431 46.852 1 13.24 ? O MET A 470 1 -ATOM 3602 C CB . MET A 1 470 . 11.493 81.22 49.444 1 14.61 ? CB MET A 470 1 -ATOM 3603 C CG . MET A 1 470 . 10.687 81.174 50.737 1 15.84 ? CG MET A 470 1 -ATOM 3604 S SD . MET A 1 470 . 9.476 82.526 50.688 1 15.15 ? SD MET A 470 1 -ATOM 3605 C CE . MET A 1 470 . 10.636 83.92 50.863 1 15.78 ? CE MET A 470 1 -ATOM 3606 N N . HIS A 1 471 . 13.896 80.417 47.493 1 17.2 ? N HIS A 471 1 -ATOM 3607 C CA . HIS A 1 471 . 14.352 80.401 46.118 1 21.69 ? CA HIS A 471 1 -ATOM 3608 C C . HIS A 1 471 . 14.757 78.995 45.748 1 20.45 ? C HIS A 471 1 -ATOM 3609 O O . HIS A 1 471 . 14.348 78.472 44.731 1 20.2 ? O HIS A 471 1 -ATOM 3610 C CB . HIS A 1 471 . 15.475 81.429 45.913 1 29.47 ? CB HIS A 471 1 -ATOM 3611 C CG . HIS A 1 471 . 15.657 81.781 44.446 1 33.27 ? CG HIS A 471 1 -ATOM 3612 N ND1 . HIS A 1 471 . 14.668 82.211 43.634 1 33.46 ? ND1 HIS A 471 1 -ATOM 3613 C CD2 . HIS A 1 471 . 16.854 81.743 43.693 1 34.65 ? CD2 HIS A 471 1 -ATOM 3614 C CE1 . HIS A 1 471 . 15.227 82.43 42.433 1 37.54 ? CE1 HIS A 471 1 -ATOM 3615 N NE2 . HIS A 1 471 . 16.548 82.159 42.446 1 37.05 ? NE2 HIS A 471 1 -ATOM 3616 N N . TYR A 1 472 . 15.524 78.353 46.625 1 21.14 ? N TYR A 472 1 -ATOM 3617 C CA . TYR A 1 472 . 15.949 76.982 46.342 1 19.71 ? CA TYR A 472 1 -ATOM 3618 C C . TYR A 1 472 . 14.75 76.076 46.083 1 20.98 ? C TYR A 472 1 -ATOM 3619 O O . TYR A 1 472 . 14.714 75.22 45.206 1 22.37 ? O TYR A 472 1 -ATOM 3620 C CB . TYR A 1 472 . 16.667 76.379 47.569 1 20.34 ? CB TYR A 472 1 -ATOM 3621 C CG . TYR A 1 472 . 18.07 76.843 47.86 1 23.95 ? CG TYR A 472 1 -ATOM 3622 C CD1 . TYR A 1 472 . 18.992 77.017 46.826 1 24.9 ? CD1 TYR A 472 1 -ATOM 3623 C CD2 . TYR A 1 472 . 18.484 77.038 49.186 1 26.94 ? CD2 TYR A 472 1 -ATOM 3624 C CE1 . TYR A 1 472 . 20.319 77.345 47.103 1 26.1 ? CE1 TYR A 472 1 -ATOM 3625 C CE2 . TYR A 1 472 . 19.814 77.368 49.468 1 30.01 ? CE2 TYR A 472 1 -ATOM 3626 C CZ . TYR A 1 472 . 20.74 77.515 48.424 1 30.84 ? CZ TYR A 472 1 -ATOM 3627 O OH . TYR A 1 472 . 22.066 77.823 48.69 1 36.97 ? OH TYR A 472 1 -ATOM 3628 N N . TRP A 1 473 . 13.744 76.283 46.923 1 18.72 ? N TRP A 473 1 -ATOM 3629 C CA . TRP A 1 473 . 12.55 75.483 46.804 1 20.3 ? CA TRP A 473 1 -ATOM 3630 C C . TRP A 1 473 . 11.855 75.781 45.475 1 20.82 ? C TRP A 473 1 -ATOM 3631 O O . TRP A 1 473 . 11.469 74.865 44.757 1 22.52 ? O TRP A 473 1 -ATOM 3632 C CB . TRP A 1 473 . 11.611 75.704 48.027 1 17.97 ? CB TRP A 473 1 -ATOM 3633 C CG . TRP A 1 473 . 11.772 74.677 49.157 1 18.66 ? CG TRP A 473 1 -ATOM 3634 C CD1 . TRP A 1 473 . 10.715 73.896 49.684 1 15 ? CD1 TRP A 473 1 -ATOM 3635 C CD2 . TRP A 1 473 . 12.93 74.304 49.885 1 16.88 ? CD2 TRP A 473 1 -ATOM 3636 N NE1 . TRP A 1 473 . 11.154 73.078 50.675 1 14.33 ? NE1 TRP A 473 1 -ATOM 3637 C CE2 . TRP A 1 473 . 12.501 73.272 50.857 1 13.46 ? CE2 TRP A 473 1 -ATOM 3638 C CE3 . TRP A 1 473 . 14.272 74.684 49.864 1 18.34 ? CE3 TRP A 473 1 -ATOM 3639 C CZ2 . TRP A 1 473 . 13.458 72.703 51.715 1 10.94 ? CZ2 TRP A 473 1 -ATOM 3640 C CZ3 . TRP A 1 473 . 15.204 74.093 50.741 1 15.94 ? CZ3 TRP A 473 1 -ATOM 3641 C CH2 . TRP A 1 473 . 14.797 73.118 51.659 1 13.44 ? CH2 TRP A 473 1 -ATOM 3642 N N . ALA A 1 474 . 11.725 77.08 45.143 1 18.06 ? N ALA A 474 1 -ATOM 3643 C CA . ALA A 1 474 . 11.038 77.443 43.897 1 12.46 ? CA ALA A 474 1 -ATOM 3644 C C . ALA A 1 474 . 11.815 76.997 42.682 1 10.86 ? C ALA A 474 1 -ATOM 3645 O O . ALA A 1 474 . 11.29 76.292 41.835 1 13.28 ? O ALA A 474 1 -ATOM 3646 C CB . ALA A 1 474 . 10.74 78.933 43.835 1 11.11 ? CB ALA A 474 1 -ATOM 3647 N N . THR A 1 475 . 13.074 77.399 42.593 1 7.89 ? N THR A 475 1 -ATOM 3648 C CA . THR A 1 475 . 13.95 77.014 41.495 1 9.64 ? CA THR A 475 1 -ATOM 3649 C C . THR A 1 475 . 14.029 75.501 41.324 1 12.78 ? C THR A 475 1 -ATOM 3650 O O . THR A 1 475 . 14.08 74.974 40.219 1 12.13 ? O THR A 475 1 -ATOM 3651 C CB . THR A 1 475 . 15.327 77.597 41.792 1 7.84 ? CB THR A 475 1 -ATOM 3652 O OG1 . THR A 1 475 . 15.073 78.985 41.895 1 11.47 ? OG1 THR A 475 1 -ATOM 3653 C CG2 . THR A 1 475 . 16.398 77.356 40.722 1 6.36 ? CG2 THR A 475 1 -ATOM 3654 N N . PHE A 1 476 . 14.034 74.766 42.439 1 16.53 ? N PHE A 476 1 -ATOM 3655 C CA . PHE A 1 476 . 14.063 73.322 42.254 1 16.97 ? CA PHE A 476 1 -ATOM 3656 C C . PHE A 1 476 . 12.729 72.858 41.634 1 19.25 ? C PHE A 476 1 -ATOM 3657 O O . PHE A 1 476 . 12.684 71.957 40.806 1 20.45 ? O PHE A 476 1 -ATOM 3658 C CB . PHE A 1 476 . 14.322 72.604 43.592 1 14.69 ? CB PHE A 476 1 -ATOM 3659 C CG . PHE A 1 476 . 14.13 71.11 43.47 1 8.02 ? CG PHE A 476 1 -ATOM 3660 C CD1 . PHE A 1 476 . 15.191 70.29 43.041 1 8.4 ? CD1 PHE A 476 1 -ATOM 3661 C CD2 . PHE A 1 476 . 12.871 70.541 43.736 1 2 ? CD2 PHE A 476 1 -ATOM 3662 C CE1 . PHE A 1 476 . 14.993 68.913 42.87 1 8.04 ? CE1 PHE A 476 1 -ATOM 3663 C CE2 . PHE A 1 476 . 12.666 69.171 43.563 1 2 ? CE2 PHE A 476 1 -ATOM 3664 C CZ . PHE A 1 476 . 13.726 68.359 43.132 1 8.31 ? CZ PHE A 476 1 -ATOM 3665 N N . ALA A 1 477 . 11.641 73.498 42.056 1 19.29 ? N ALA A 477 1 -ATOM 3666 C CA . ALA A 1 477 . 10.344 73.088 41.528 1 23.33 ? CA ALA A 477 1 -ATOM 3667 C C . ALA A 1 477 . 10.208 73.333 40.055 1 25.47 ? C ALA A 477 1 -ATOM 3668 O O . ALA A 1 477 . 9.512 72.608 39.359 1 31.09 ? O ALA A 477 1 -ATOM 3669 C CB . ALA A 1 477 . 9.185 73.787 42.257 1 21.87 ? CB ALA A 477 1 -ATOM 3670 N N . LYS A 1 478 . 10.871 74.396 39.589 1 25.09 ? N LYS A 478 1 -ATOM 3671 C CA . LYS A 1 478 . 10.77 74.689 38.16 1 23.32 ? CA LYS A 478 1 -ATOM 3672 C C . LYS A 1 478 . 11.755 73.867 37.357 1 20.81 ? C LYS A 478 1 -ATOM 3673 O O . LYS A 1 478 . 11.423 73.053 36.521 1 26.35 ? O LYS A 478 1 -ATOM 3674 C CB . LYS A 1 478 . 11.013 76.172 37.858 1 24.55 ? CB LYS A 478 1 -ATOM 3675 C CG . LYS A 1 478 . 10.29 77.145 38.788 1 27.31 ? CG LYS A 478 1 -ATOM 3676 C CD . LYS A 1 478 . 10.07 78.487 38.068 1 36.59 ? CD LYS A 478 1 -ATOM 3677 N N . THR A 1 479 . 13.002 74.13 37.645 1 15.01 ? N THR A 479 1 -ATOM 3678 C CA . THR A 1 479 . 14.102 73.509 36.995 1 13.07 ? CA THR A 479 1 -ATOM 3679 C C . THR A 1 479 . 14.392 72.091 37.362 1 16.43 ? C THR A 479 1 -ATOM 3680 O O . THR A 1 479 . 14.615 71.263 36.499 1 22.36 ? O THR A 479 1 -ATOM 3681 C CB . THR A 1 479 . 15.332 74.313 37.42 1 13.16 ? CB THR A 479 1 -ATOM 3682 O OG1 . THR A 1 479 . 15.09 75.645 37.005 1 20.56 ? OG1 THR A 479 1 -ATOM 3683 C CG2 . THR A 1 479 . 16.67 73.866 36.836 1 19.93 ? CG2 THR A 479 1 -ATOM 3684 N N . GLY A 1 480 . 14.472 71.805 38.653 1 20.24 ? N GLY A 480 1 -ATOM 3685 C CA . GLY A 1 480 . 14.836 70.44 39.044 1 16.81 ? CA GLY A 480 1 -ATOM 3686 C C . GLY A 1 480 . 16.209 70.443 39.664 1 15.43 ? C GLY A 480 1 -ATOM 3687 O O . GLY A 1 480 . 16.827 69.429 39.964 1 16.07 ? O GLY A 480 1 -ATOM 3688 N N . ASN A 1 481 . 16.709 71.653 39.846 1 13.23 ? N ASN A 481 1 -ATOM 3689 C CA . ASN A 1 481 . 18.005 71.873 40.445 1 15.96 ? CA ASN A 481 1 -ATOM 3690 C C . ASN A 1 481 . 17.73 73.119 41.247 1 18.94 ? C ASN A 481 1 -ATOM 3691 O O . ASN A 1 481 . 17.024 73.96 40.705 1 22.56 ? O ASN A 481 1 -ATOM 3692 C CB . ASN A 1 481 . 19.029 72.126 39.349 1 17.9 ? CB ASN A 481 1 -ATOM 3693 C CG . ASN A 1 481 . 20.375 72.417 39.921 1 19.48 ? CG ASN A 481 1 -ATOM 3694 O OD1 . ASN A 1 481 . 20.513 73.084 40.924 1 25.74 ? OD1 ASN A 481 1 -ATOM 3695 N ND2 . ASN A 1 481 . 21.399 71.899 39.278 1 23.51 ? ND2 ASN A 481 1 -ATOM 3696 N N . PRO A 1 482 . 18.168 73.197 42.528 1 19.54 ? N PRO A 482 1 -ATOM 3697 C CA . PRO A 1 482 . 17.886 74.366 43.366 1 19.34 ? CA PRO A 482 1 -ATOM 3698 C C . PRO A 1 482 . 18.739 75.583 43.049 1 21.48 ? C PRO A 482 1 -ATOM 3699 O O . PRO A 1 482 . 18.451 76.7 43.465 1 21.62 ? O PRO A 482 1 -ATOM 3700 C CB . PRO A 1 482 . 18.23 73.874 44.785 1 18.08 ? CB PRO A 482 1 -ATOM 3701 C CG . PRO A 1 482 . 19.205 72.705 44.604 1 16.26 ? CG PRO A 482 1 -ATOM 3702 C CD . PRO A 1 482 . 18.867 72.121 43.238 1 17.03 ? CD PRO A 482 1 -ATOM 3703 N N . ASN A 1 483 . 19.846 75.327 42.358 1 23.18 ? N ASN A 483 1 -ATOM 3704 C CA . ASN A 1 483 . 20.779 76.374 41.991 1 25.35 ? CA ASN A 483 1 -ATOM 3705 C C . ASN A 1 483 . 20.437 77.083 40.708 1 29.38 ? C ASN A 483 1 -ATOM 3706 O O . ASN A 1 483 . 20.162 76.487 39.676 1 31.96 ? O ASN A 483 1 -ATOM 3707 C CB . ASN A 1 483 . 22.151 75.763 41.699 1 22.37 ? CB ASN A 483 1 -ATOM 3708 C CG . ASN A 1 483 . 22.794 75.294 42.96 1 25.4 ? CG ASN A 483 1 -ATOM 3709 O OD1 . ASN A 1 483 . 22.995 74.115 43.211 1 18.89 ? OD1 ASN A 483 1 -ATOM 3710 N ND2 . ASN A 1 483 . 23.13 76.288 43.791 1 27.5 ? ND2 ASN A 483 1 -ATOM 3711 N N . GLU A 1 484 . 20.466 78.424 40.773 1 34.07 ? N GLU A 484 1 -ATOM 3712 C CA . GLU A 1 484 . 20.242 79.176 39.54 1 37.82 ? CA GLU A 484 1 -ATOM 3713 C C . GLU A 1 484 . 21.578 78.951 38.851 1 44.5 ? C GLU A 484 1 -ATOM 3714 O O . GLU A 1 484 . 22.56 78.711 39.559 1 43.46 ? O GLU A 484 1 -ATOM 3715 C CB . GLU A 1 484 . 20.014 80.696 39.74 1 36.04 ? CB GLU A 484 1 -ATOM 3716 C CG . GLU A 1 484 . 18.511 81.037 39.875 1 34.11 ? CG GLU A 484 1 -ATOM 3717 N N . PRO A 1 485 . 21.583 79.025 37.5 1 50.47 ? N PRO A 485 1 -ATOM 3718 C CA . PRO A 1 485 . 22.85 79.019 36.758 1 51.91 ? CA PRO A 485 1 -ATOM 3719 C C . PRO A 1 485 . 23.766 80.205 37.072 1 52.65 ? C PRO A 485 1 -ATOM 3720 O O . PRO A 1 485 . 24.981 80.013 37.035 1 52.72 ? O PRO A 485 1 -ATOM 3721 C CB . PRO A 1 485 . 22.418 78.986 35.283 1 52.01 ? CB PRO A 485 1 -ATOM 3722 C CG . PRO A 1 485 . 20.927 78.579 35.263 1 50.28 ? CG PRO A 485 1 -ATOM 3723 C CD . PRO A 1 485 . 20.381 78.905 36.656 1 49.49 ? CD PRO A 485 1 -ATOM 3724 N N . SER A 1 490 . 26.591 79.111 46.48 1 46.63 ? N SER A 490 1 -ATOM 3725 C CA . SER A 1 490 . 27.53 78.335 45.692 1 45.59 ? CA SER A 490 1 -ATOM 3726 C C . SER A 1 490 . 26.698 77.159 45.269 1 42.64 ? C SER A 490 1 -ATOM 3727 O O . SER A 1 490 . 25.538 77.111 45.674 1 42.6 ? O SER A 490 1 -ATOM 3728 C CB . SER A 1 490 . 28.772 78.073 46.562 1 47.19 ? CB SER A 490 1 -ATOM 3729 O OG . SER A 1 490 . 29.102 79.384 47.073 1 50.73 ? OG SER A 490 1 -ATOM 3730 N N . LYS A 1 491 . 27.241 76.276 44.447 1 38.77 ? N LYS A 491 1 -ATOM 3731 C CA . LYS A 1 491 . 26.402 75.181 44.041 1 36.63 ? CA LYS A 491 1 -ATOM 3732 C C . LYS A 1 491 . 26.177 74.297 45.234 1 33.13 ? C LYS A 491 1 -ATOM 3733 O O . LYS A 1 491 . 27.062 74.134 46.06 1 35.13 ? O LYS A 491 1 -ATOM 3734 C CB . LYS A 1 491 . 27.005 74.422 42.846 1 40.99 ? CB LYS A 491 1 -ATOM 3735 C CG . LYS A 1 491 . 27.213 75.311 41.594 1 48.99 ? CG LYS A 491 1 -ATOM 3736 C CD . LYS A 1 491 . 25.893 75.808 40.953 1 57.24 ? CD LYS A 491 1 -ATOM 3737 C CE . LYS A 1 491 . 26.055 76.967 39.944 1 61.63 ? CE LYS A 491 1 -ATOM 3738 N NZ . LYS A 1 491 . 26.3 78.221 40.64 1 62.54 ? NZ LYS A 491 1 -ATOM 3739 N N . TRP A 1 492 . 24.951 73.815 45.309 1 26.12 ? N TRP A 492 1 -ATOM 3740 C CA . TRP A 1 492 . 24.5 72.929 46.334 1 19 ? CA TRP A 492 1 -ATOM 3741 C C . TRP A 1 492 . 24.755 71.623 45.588 1 18.58 ? C TRP A 492 1 -ATOM 3742 O O . TRP A 1 492 . 24.022 71.332 44.657 1 20.29 ? O TRP A 492 1 -ATOM 3743 C CB . TRP A 1 492 . 22.994 73.252 46.571 1 11.79 ? CB TRP A 492 1 -ATOM 3744 C CG . TRP A 1 492 . 22.225 72.25 47.431 1 10.05 ? CG TRP A 492 1 -ATOM 3745 C CD1 . TRP A 1 492 . 22.584 70.919 47.775 1 7.17 ? CD1 TRP A 492 1 -ATOM 3746 C CD2 . TRP A 1 492 . 20.962 72.476 48.003 1 6.08 ? CD2 TRP A 492 1 -ATOM 3747 N NE1 . TRP A 1 492 . 21.616 70.329 48.509 1 9.72 ? NE1 TRP A 492 1 -ATOM 3748 C CE2 . TRP A 1 492 . 20.594 71.219 48.686 1 6.7 ? CE2 TRP A 492 1 -ATOM 3749 C CE3 . TRP A 1 492 . 20.074 73.558 48.02 1 9.07 ? CE3 TRP A 492 1 -ATOM 3750 C CZ2 . TRP A 1 492 . 19.363 71.13 49.348 1 5.91 ? CZ2 TRP A 492 1 -ATOM 3751 C CZ3 . TRP A 1 492 . 18.846 73.43 48.7 1 6.97 ? CZ3 TRP A 492 1 -ATOM 3752 C CH2 . TRP A 1 492 . 18.498 72.235 49.355 1 4.77 ? CH2 TRP A 492 1 -ATOM 3753 N N . PRO A 1 493 . 25.819 70.87 45.921 1 17.27 ? N PRO A 493 1 -ATOM 3754 C CA . PRO A 1 493 . 26.128 69.659 45.145 1 19.88 ? CA PRO A 493 1 -ATOM 3755 C C . PRO A 1 493 . 25.022 68.629 45.075 1 20.16 ? C PRO A 493 1 -ATOM 3756 O O . PRO A 1 493 . 24.136 68.597 45.921 1 26.93 ? O PRO A 493 1 -ATOM 3757 C CB . PRO A 1 493 . 27.271 68.983 45.936 1 19.03 ? CB PRO A 493 1 -ATOM 3758 C CG . PRO A 1 493 . 27.844 70.063 46.857 1 22.5 ? CG PRO A 493 1 -ATOM 3759 C CD . PRO A 1 493 . 26.749 71.135 47.013 1 18.43 ? CD PRO A 493 1 -ATOM 3760 N N . LEU A 1 494 . 25.13 67.751 44.078 1 18.42 ? N LEU A 494 1 -ATOM 3761 C CA . LEU A 1 494 . 24.14 66.682 43.997 1 19.26 ? CA LEU A 494 1 -ATOM 3762 C C . LEU A 1 494 . 24.604 65.687 45.037 1 21.65 ? C LEU A 494 1 -ATOM 3763 O O . LEU A 1 494 . 25.778 65.617 45.407 1 26.28 ? O LEU A 494 1 -ATOM 3764 C CB . LEU A 1 494 . 24.198 65.863 42.675 1 18.39 ? CB LEU A 494 1 -ATOM 3765 C CG . LEU A 1 494 . 23.502 66.431 41.42 1 14.5 ? CG LEU A 494 1 -ATOM 3766 C CD1 . LEU A 1 494 . 24.072 65.72 40.181 1 14.53 ? CD1 LEU A 494 1 -ATOM 3767 C CD2 . LEU A 1 494 . 21.976 66.245 41.464 1 4.23 ? CD2 LEU A 494 1 -ATOM 3768 N N . PHE A 1 495 . 23.658 64.893 45.485 1 20.58 ? N PHE A 495 1 -ATOM 3769 C CA . PHE A 1 495 . 24.01 63.884 46.449 1 24.09 ? CA PHE A 495 1 -ATOM 3770 C C . PHE A 1 495 . 24.387 62.725 45.561 1 25.16 ? C PHE A 495 1 -ATOM 3771 O O . PHE A 1 495 . 23.678 62.448 44.6 1 27.4 ? O PHE A 495 1 -ATOM 3772 C CB . PHE A 1 495 . 22.79 63.533 47.346 1 24 ? CB PHE A 495 1 -ATOM 3773 C CG . PHE A 1 495 . 23.04 62.305 48.198 1 19.91 ? CG PHE A 495 1 -ATOM 3774 C CD1 . PHE A 1 495 . 22.816 61.023 47.681 1 19.53 ? CD1 PHE A 495 1 -ATOM 3775 C CD2 . PHE A 1 495 . 23.561 62.437 49.487 1 19.87 ? CD2 PHE A 495 1 -ATOM 3776 C CE1 . PHE A 1 495 . 23.152 59.888 48.429 1 23.95 ? CE1 PHE A 495 1 -ATOM 3777 C CE2 . PHE A 1 495 . 23.875 61.305 50.24 1 20.88 ? CE2 PHE A 495 1 -ATOM 3778 C CZ . PHE A 1 495 . 23.69 60.024 49.713 1 20.47 ? CZ PHE A 495 1 -ATOM 3779 N N . THR A 1 496 . 25.487 62.048 45.868 1 26.97 ? N THR A 496 1 -ATOM 3780 C CA . THR A 1 496 . 25.872 60.907 45.06 1 28.29 ? CA THR A 496 1 -ATOM 3781 C C . THR A 1 496 . 26.175 59.786 46.027 1 30.14 ? C THR A 496 1 -ATOM 3782 O O . THR A 1 496 . 26.657 60.005 47.13 1 31.89 ? O THR A 496 1 -ATOM 3783 C CB . THR A 1 496 . 27.053 61.284 44.158 1 30.33 ? CB THR A 496 1 -ATOM 3784 O OG1 . THR A 1 496 . 28.256 61.472 44.897 1 36.96 ? OG1 THR A 496 1 -ATOM 3785 C CG2 . THR A 1 496 . 26.828 62.591 43.379 1 34.12 ? CG2 THR A 496 1 -ATOM 3786 N N . THR A 1 497 . 25.927 58.562 45.611 1 31.97 ? N THR A 497 1 -ATOM 3787 C CA . THR A 1 497 . 26.216 57.468 46.527 1 33.76 ? CA THR A 497 1 -ATOM 3788 C C . THR A 1 497 . 27.712 57.368 46.853 1 37.8 ? C THR A 497 1 -ATOM 3789 O O . THR A 1 497 . 28.118 56.851 47.886 1 40.57 ? O THR A 497 1 -ATOM 3790 C CB . THR A 1 497 . 25.634 56.185 45.937 1 32.55 ? CB THR A 497 1 -ATOM 3791 O OG1 . THR A 1 497 . 26.015 56.13 44.56 1 37.23 ? OG1 THR A 497 1 -ATOM 3792 C CG2 . THR A 1 497 . 24.099 56.14 45.988 1 34.37 ? CG2 THR A 497 1 -ATOM 3793 N N . LYS A 1 498 . 28.511 57.888 45.908 1 40.37 ? N LYS A 498 1 -ATOM 3794 C CA . LYS A 1 498 . 29.96 57.887 46.057 1 42.8 ? CA LYS A 498 1 -ATOM 3795 C C . LYS A 1 498 . 30.373 58.851 47.147 1 42.93 ? C LYS A 498 1 -ATOM 3796 O O . LYS A 1 498 . 30.764 58.517 48.254 1 43.73 ? O LYS A 498 1 -ATOM 3797 C CB . LYS A 1 498 . 30.722 58.284 44.762 1 42.58 ? CB LYS A 498 1 -ATOM 3798 N N . GLU A 1 499 . 30.274 60.117 46.782 1 43.38 ? N GLU A 499 1 -ATOM 3799 C CA . GLU A 1 499 . 30.643 61.219 47.656 1 44.02 ? CA GLU A 499 1 -ATOM 3800 C C . GLU A 1 499 . 29.337 61.877 48.026 1 42.03 ? C GLU A 499 1 -ATOM 3801 O O . GLU A 1 499 . 28.832 62.794 47.38 1 45.5 ? O GLU A 499 1 -ATOM 3802 C CB . GLU A 1 499 . 31.619 62.139 46.899 1 45.86 ? CB GLU A 499 1 -ATOM 3803 C CG . GLU A 1 499 . 31.172 62.342 45.437 1 45.32 ? CG GLU A 499 1 -ATOM 3804 N N . GLN A 1 500 . 28.787 61.317 49.089 1 36.62 ? N GLN A 500 1 -ATOM 3805 C CA . GLN A 1 500 . 27.509 61.713 49.653 1 33.88 ? CA GLN A 500 1 -ATOM 3806 C C . GLN A 1 500 . 27.47 63.138 50.196 1 31.5 ? C GLN A 500 1 -ATOM 3807 O O . GLN A 1 500 . 27.473 63.311 51.409 1 37.01 ? O GLN A 500 1 -ATOM 3808 C CB . GLN A 1 500 . 27.23 60.692 50.764 1 35.36 ? CB GLN A 500 1 -ATOM 3809 C CG . GLN A 1 500 . 27.456 59.25 50.291 1 34.03 ? CG GLN A 500 1 -ATOM 3810 C CD . GLN A 1 500 . 26.779 58.232 51.164 1 36.65 ? CD GLN A 500 1 -ATOM 3811 O OE1 . GLN A 1 500 . 26.191 58.493 52.215 1 38.59 ? OE1 GLN A 500 1 -ATOM 3812 N NE2 . GLN A 1 500 . 26.894 57.016 50.684 1 39.33 ? NE2 GLN A 500 1 -ATOM 3813 N N . LYS A 1 501 . 27.434 64.14 49.321 1 26.18 ? N LYS A 501 1 -ATOM 3814 C CA . LYS A 1 501 . 27.421 65.517 49.789 1 21.65 ? CA LYS A 501 1 -ATOM 3815 C C . LYS A 1 501 . 26.041 66.019 50.134 1 21.55 ? C LYS A 501 1 -ATOM 3816 O O . LYS A 1 501 . 25.049 65.554 49.594 1 21.6 ? O LYS A 501 1 -ATOM 3817 C CB . LYS A 1 501 . 27.978 66.424 48.693 1 22.57 ? CB LYS A 501 1 -ATOM 3818 C CG . LYS A 1 501 . 29.489 66.261 48.541 1 27.22 ? CG LYS A 501 1 -ATOM 3819 C CD . LYS A 1 501 . 29.927 66.053 47.091 1 34.72 ? CD LYS A 501 1 -ATOM 3820 C CE . LYS A 1 501 . 31.419 66.344 46.895 1 37.58 ? CE LYS A 501 1 -ATOM 3821 N NZ . LYS A 1 501 . 31.651 67.784 46.932 1 41.05 ? NZ LYS A 501 1 -ATOM 3822 N N . PHE A 1 502 . 26.03 67.015 51.026 1 19.88 ? N PHE A 502 1 -ATOM 3823 C CA . PHE A 1 502 . 24.828 67.687 51.502 1 20.61 ? CA PHE A 502 1 -ATOM 3824 C C . PHE A 1 502 . 25.297 69.03 51.998 1 21.35 ? C PHE A 502 1 -ATOM 3825 O O . PHE A 1 502 . 26.501 69.257 52.126 1 20.82 ? O PHE A 502 1 -ATOM 3826 C CB . PHE A 1 502 . 24.091 66.939 52.623 1 20.67 ? CB PHE A 502 1 -ATOM 3827 C CG . PHE A 1 502 . 24.852 66.899 53.936 1 19.91 ? CG PHE A 502 1 -ATOM 3828 C CD1 . PHE A 1 502 . 24.654 67.907 54.902 1 19.7 ? CD1 PHE A 502 1 -ATOM 3829 C CD2 . PHE A 1 502 . 25.717 65.828 54.225 1 18.02 ? CD2 PHE A 502 1 -ATOM 3830 C CE1 . PHE A 1 502 . 25.28 67.827 56.149 1 16.32 ? CE1 PHE A 502 1 -ATOM 3831 C CE2 . PHE A 1 502 . 26.338 65.743 55.477 1 16.24 ? CE2 PHE A 502 1 -ATOM 3832 C CZ . PHE A 1 502 . 26.11 66.737 56.438 1 16.77 ? CZ PHE A 502 1 -ATOM 3833 N N . ILE A 1 503 . 24.34 69.909 52.303 1 19.7 ? N ILE A 503 1 -ATOM 3834 C CA . ILE A 1 503 . 24.756 71.214 52.769 1 21.62 ? CA ILE A 503 1 -ATOM 3835 C C . ILE A 1 503 . 24.054 71.584 54.048 1 23.19 ? C ILE A 503 1 -ATOM 3836 O O . ILE A 1 503 . 23.018 71.033 54.414 1 26.92 ? O ILE A 503 1 -ATOM 3837 C CB . ILE A 1 503 . 24.485 72.259 51.67 1 20.67 ? CB ILE A 503 1 -ATOM 3838 C CG1 . ILE A 1 503 . 23.007 72.413 51.293 1 18.01 ? CG1 ILE A 503 1 -ATOM 3839 C CG2 . ILE A 1 503 . 25.304 71.926 50.425 1 24.07 ? CG2 ILE A 503 1 -ATOM 3840 C CD1 . ILE A 1 503 . 22.765 73.733 50.558 1 17.69 ? CD1 ILE A 503 1 -ATOM 3841 N N . ASP A 1 504 . 24.667 72.543 54.74 1 23.58 ? N ASP A 504 1 -ATOM 3842 C CA . ASP A 1 504 . 24.075 73.039 55.972 1 24.35 ? CA ASP A 504 1 -ATOM 3843 C C . ASP A 1 504 . 23.161 74.165 55.53 1 23.37 ? C ASP A 504 1 -ATOM 3844 O O . ASP A 1 504 . 23.494 74.928 54.633 1 26.8 ? O ASP A 504 1 -ATOM 3845 C CB . ASP A 1 504 . 25.142 73.603 56.917 1 28.56 ? CB ASP A 504 1 -ATOM 3846 C CG . ASP A 1 504 . 25.866 72.563 57.755 1 31.28 ? CG ASP A 504 1 -ATOM 3847 O OD1 . ASP A 1 504 . 25.449 71.404 57.795 1 30.48 ? OD1 ASP A 504 1 -ATOM 3848 O OD2 . ASP A 1 504 . 26.854 72.935 58.387 1 36.62 ? OD2 ASP A 504 1 -ATOM 3849 N N . LEU A 1 505 . 22.027 74.291 56.181 1 21.29 ? N LEU A 505 1 -ATOM 3850 C CA . LEU A 1 505 . 21.099 75.326 55.795 1 19.77 ? CA LEU A 505 1 -ATOM 3851 C C . LEU A 1 505 . 20.89 76.199 57.017 1 22.78 ? C LEU A 505 1 -ATOM 3852 O O . LEU A 1 505 . 20.004 75.992 57.834 1 27.15 ? O LEU A 505 1 -ATOM 3853 C CB . LEU A 1 505 . 19.843 74.574 55.338 1 16 ? CB LEU A 505 1 -ATOM 3854 C CG . LEU A 1 505 . 19.007 75.26 54.277 1 14.53 ? CG LEU A 505 1 -ATOM 3855 C CD1 . LEU A 1 505 . 19.803 75.551 52.994 1 11.95 ? CD1 LEU A 505 1 -ATOM 3856 C CD2 . LEU A 1 505 . 17.796 74.358 53.969 1 13.12 ? CD2 LEU A 505 1 -ATOM 3857 N N . ASN A 1 506 . 21.768 77.168 57.181 1 22.31 ? N ASN A 506 1 -ATOM 3858 C CA . ASN A 1 506 . 21.673 78.071 58.314 1 23.56 ? CA ASN A 506 1 -ATOM 3859 C C . ASN A 1 506 . 22.193 79.378 57.791 1 26.6 ? C ASN A 506 1 -ATOM 3860 O O . ASN A 1 506 . 22.67 79.422 56.675 1 31.76 ? O ASN A 506 1 -ATOM 3861 C CB . ASN A 1 506 . 22.439 77.572 59.537 1 21.45 ? CB ASN A 506 1 -ATOM 3862 C CG . ASN A 1 506 . 23.91 77.47 59.239 1 21.54 ? CG ASN A 506 1 -ATOM 3863 O OD1 . ASN A 1 506 . 24.511 78.471 58.895 1 15.8 ? OD1 ASN A 506 1 -ATOM 3864 N ND2 . ASN A 1 506 . 24.483 76.272 59.376 1 18.47 ? ND2 ASN A 506 1 -ATOM 3865 N N . THR A 1 507 . 22.104 80.426 58.594 1 26.94 ? N THR A 507 1 -ATOM 3866 C CA . THR A 1 507 . 22.532 81.752 58.159 1 28.8 ? CA THR A 507 1 -ATOM 3867 C C . THR A 1 507 . 24.014 82.032 57.809 1 31.21 ? C THR A 507 1 -ATOM 3868 O O . THR A 1 507 . 24.354 83.131 57.382 1 32.73 ? O THR A 507 1 -ATOM 3869 C CB . THR A 1 507 . 22.051 82.754 59.214 1 29.17 ? CB THR A 507 1 -ATOM 3870 O OG1 . THR A 1 507 . 22.596 82.406 60.489 1 30.67 ? OG1 THR A 507 1 -ATOM 3871 C CG2 . THR A 1 507 . 20.523 82.841 59.393 1 27.48 ? CG2 THR A 507 1 -ATOM 3872 N N . GLU A 1 508 . 24.918 81.088 58.022 1 33.28 ? N GLU A 508 1 -ATOM 3873 C CA . GLU A 1 508 . 26.312 81.365 57.69 1 37.8 ? CA GLU A 508 1 -ATOM 3874 C C . GLU A 1 508 . 26.534 81.12 56.192 1 43.12 ? C GLU A 508 1 -ATOM 3875 O O . GLU A 1 508 . 25.679 80.61 55.477 1 46.45 ? O GLU A 508 1 -ATOM 3876 C CB . GLU A 1 508 . 27.222 80.495 58.56 1 36.74 ? CB GLU A 508 1 -ATOM 3877 C CG . GLU A 1 508 . 27.087 80.878 60.03 1 37.93 ? CG GLU A 508 1 -ATOM 3878 N N . PRO A 1 509 . 27.753 81.462 55.723 1 45.16 ? N PRO A 509 1 -ATOM 3879 C CA . PRO A 1 509 . 28.326 80.814 54.543 1 45.89 ? CA PRO A 509 1 -ATOM 3880 C C . PRO A 1 509 . 28.195 79.279 54.48 1 46.4 ? C PRO A 509 1 -ATOM 3881 O O . PRO A 1 509 . 28.728 78.532 55.291 1 47.25 ? O PRO A 509 1 -ATOM 3882 C CB . PRO A 1 509 . 29.783 81.285 54.586 1 47.53 ? CB PRO A 509 1 -ATOM 3883 C CG . PRO A 1 509 . 29.772 82.639 55.328 1 49.06 ? CG PRO A 509 1 -ATOM 3884 C CD . PRO A 1 509 . 28.515 82.611 56.209 1 47.98 ? CD PRO A 509 1 -ATOM 3885 N N . MET A 1 510 . 27.466 78.864 53.443 1 45.34 ? N MET A 510 1 -ATOM 3886 C CA . MET A 1 510 . 27.173 77.47 53.14 1 43.84 ? CA MET A 510 1 -ATOM 3887 C C . MET A 1 510 . 28.368 76.54 53.244 1 42.69 ? C MET A 510 1 -ATOM 3888 O O . MET A 1 510 . 29.455 76.849 52.775 1 45.05 ? O MET A 510 1 -ATOM 3889 C CB . MET A 1 510 . 26.687 77.42 51.678 1 44.66 ? CB MET A 510 1 -ATOM 3890 C CG . MET A 1 510 . 25.631 76.352 51.383 1 48.03 ? CG MET A 510 1 -ATOM 3891 S SD . MET A 1 510 . 25.524 76.214 49.574 1 48.04 ? SD MET A 510 1 -ATOM 3892 C CE . MET A 1 510 . 26.976 75.147 49.315 1 46.5 ? CE MET A 510 1 -ATOM 3893 N N . LYS A 1 511 . 28.127 75.365 53.813 1 38.25 ? N LYS A 511 1 -ATOM 3894 C CA . LYS A 1 511 . 29.199 74.402 53.925 1 37.85 ? CA LYS A 511 1 -ATOM 3895 C C . LYS A 1 511 . 28.612 73.139 53.386 1 36.58 ? C LYS A 511 1 -ATOM 3896 O O . LYS A 1 511 . 27.443 72.831 53.59 1 41.64 ? O LYS A 511 1 -ATOM 3897 C CB . LYS A 1 511 . 29.68 74.208 55.364 1 39.61 ? CB LYS A 511 1 -ATOM 3898 C CG . LYS A 1 511 . 30.365 75.483 55.888 1 45.9 ? CG LYS A 511 1 -ATOM 3899 N N . VAL A 1 512 . 29.451 72.433 52.668 1 33.4 ? N VAL A 512 1 -ATOM 3900 C CA . VAL A 1 512 . 29.092 71.186 52.072 1 31.1 ? CA VAL A 512 1 -ATOM 3901 C C . VAL A 1 512 . 29.763 70.204 52.995 1 31.86 ? C VAL A 512 1 -ATOM 3902 O O . VAL A 1 512 . 30.877 70.441 53.458 1 35.08 ? O VAL A 512 1 -ATOM 3903 C CB . VAL A 1 512 . 29.715 71.171 50.663 1 29.54 ? CB VAL A 512 1 -ATOM 3904 C CG1 . VAL A 1 512 . 29.595 69.803 49.976 1 24.94 ? CG1 VAL A 512 1 -ATOM 3905 C CG2 . VAL A 1 512 . 29.173 72.324 49.782 1 24.63 ? CG2 VAL A 512 1 -ATOM 3906 N N . HIS A 1 513 . 29.103 69.099 53.252 1 30.57 ? N HIS A 513 1 -ATOM 3907 C CA . HIS A 1 513 . 29.684 68.11 54.137 1 28.81 ? CA HIS A 513 1 -ATOM 3908 C C . HIS A 1 513 . 29.496 66.808 53.442 1 25.76 ? C HIS A 513 1 -ATOM 3909 O O . HIS A 1 513 . 29.01 66.767 52.325 1 25.49 ? O HIS A 513 1 -ATOM 3910 C CB . HIS A 1 513 . 28.911 68.108 55.46 1 30.36 ? CB HIS A 513 1 -ATOM 3911 C CG . HIS A 1 513 . 29.01 69.433 56.177 1 30.18 ? CG HIS A 513 1 -ATOM 3912 N ND1 . HIS A 1 513 . 29.984 69.762 57.046 1 27.05 ? ND1 HIS A 513 1 -ATOM 3913 C CD2 . HIS A 1 513 . 28.12 70.531 56.077 1 30.29 ? CD2 HIS A 513 1 -ATOM 3914 C CE1 . HIS A 1 513 . 29.71 71.006 57.465 1 29.04 ? CE1 HIS A 513 1 -ATOM 3915 N NE2 . HIS A 1 513 . 28.595 71.488 56.893 1 27.19 ? NE2 HIS A 513 1 -ATOM 3916 N N . GLN A 1 514 . 29.878 65.729 54.107 1 26.12 ? N GLN A 514 1 -ATOM 3917 C CA . GLN A 1 514 . 29.7 64.446 53.466 1 28.73 ? CA GLN A 514 1 -ATOM 3918 C C . GLN A 1 514 . 29.154 63.479 54.488 1 26.2 ? C GLN A 514 1 -ATOM 3919 O O . GLN A 1 514 . 29.258 63.668 55.688 1 28.26 ? O GLN A 514 1 -ATOM 3920 C CB . GLN A 1 514 . 31.047 63.886 52.982 1 34.39 ? CB GLN A 514 1 -ATOM 3921 C CG . GLN A 1 514 . 31.757 64.771 51.948 1 43.27 ? CG GLN A 514 1 -ATOM 3922 C CD . GLN A 1 514 . 32.749 63.918 51.176 1 50.37 ? CD GLN A 514 1 -ATOM 3923 O OE1 . GLN A 1 514 . 32.742 63.829 49.961 1 54.52 ? OE1 GLN A 514 1 -ATOM 3924 N NE2 . GLN A 1 514 . 33.595 63.232 51.934 1 54.93 ? NE2 GLN A 514 1 -ATOM 3925 N N . ARG A 1 515 . 28.572 62.43 53.95 1 22.03 ? N ARG A 515 1 -ATOM 3926 C CA . ARG A 1 515 . 28.017 61.34 54.718 1 25.43 ? CA ARG A 515 1 -ATOM 3927 C C . ARG A 1 515 . 27.241 61.698 55.989 1 26.46 ? C ARG A 515 1 -ATOM 3928 O O . ARG A 1 515 . 27.659 61.338 57.085 1 28.69 ? O ARG A 515 1 -ATOM 3929 C CB . ARG A 1 515 . 29.141 60.36 55.035 1 22.7 ? CB ARG A 515 1 -ATOM 3930 C CG . ARG A 1 515 . 30.029 60.068 53.829 1 28.79 ? CG ARG A 515 1 -ATOM 3931 C CD . ARG A 1 515 . 30.769 58.73 53.914 1 32.56 ? CD ARG A 515 1 -ATOM 3932 N NE . ARG A 1 515 . 31.746 58.638 52.841 1 36.56 ? NE ARG A 515 1 -ATOM 3933 N N . LEU A 1 516 . 26.088 62.384 55.818 1 26.31 ? N LEU A 516 1 -ATOM 3934 C CA . LEU A 1 516 . 25.24 62.77 56.973 1 23.29 ? CA LEU A 516 1 -ATOM 3935 C C . LEU A 1 516 . 25.011 61.575 57.903 1 23.73 ? C LEU A 516 1 -ATOM 3936 O O . LEU A 1 516 . 24.396 60.585 57.519 1 27.68 ? O LEU A 516 1 -ATOM 3937 C CB . LEU A 1 516 . 23.86 63.311 56.494 1 18.5 ? CB LEU A 516 1 -ATOM 3938 C CG . LEU A 1 516 . 22.863 63.749 57.589 1 14.83 ? CG LEU A 516 1 -ATOM 3939 C CD1 . LEU A 1 516 . 23.39 64.914 58.426 1 12.67 ? CD1 LEU A 516 1 -ATOM 3940 C CD2 . LEU A 1 516 . 21.511 64.142 56.982 1 13.11 ? CD2 LEU A 516 1 -ATOM 3941 N N . ARG A 1 517 . 25.558 61.711 59.122 1 20.27 ? N ARG A 517 1 -ATOM 3942 C CA . ARG A 1 517 . 25.469 60.716 60.191 1 17.84 ? CA ARG A 517 1 -ATOM 3943 C C . ARG A 1 517 . 25.761 59.285 59.806 1 15.26 ? C ARG A 517 1 -ATOM 3944 O O . ARG A 1 517 . 24.978 58.42 60.175 1 16.45 ? O ARG A 517 1 -ATOM 3945 C CB . ARG A 1 517 . 24.117 60.794 60.935 1 19.67 ? CB ARG A 517 1 -ATOM 3946 C CG . ARG A 1 517 . 23.89 62.214 61.487 1 30.15 ? CG ARG A 517 1 -ATOM 3947 C CD . ARG A 1 517 . 22.794 62.298 62.55 1 36.82 ? CD ARG A 517 1 -ATOM 3948 N NE . ARG A 1 517 . 23.183 61.635 63.783 1 41.57 ? NE ARG A 517 1 -ATOM 3949 C CZ . ARG A 1 517 . 23.891 62.251 64.733 1 43.2 ? CZ ARG A 517 1 -ATOM 3950 N NH1 . ARG A 1 517 . 24.358 63.482 64.526 1 47.32 ? NH1 ARG A 517 1 -ATOM 3951 N NH2 . ARG A 1 517 . 24.121 61.624 65.89 1 42.62 ? NH2 ARG A 517 1 -ATOM 3952 N N . VAL A 1 518 . 26.889 59.019 59.127 1 13.18 ? N VAL A 518 1 -ATOM 3953 C CA . VAL A 1 518 . 27.135 57.612 58.778 1 17.36 ? CA VAL A 518 1 -ATOM 3954 C C . VAL A 1 518 . 27.213 56.664 59.963 1 18.52 ? C VAL A 518 1 -ATOM 3955 O O . VAL A 1 518 . 26.413 55.754 60.096 1 14.69 ? O VAL A 518 1 -ATOM 3956 C CB . VAL A 1 518 . 28.401 57.398 57.912 1 18.87 ? CB VAL A 518 1 -ATOM 3957 C CG1 . VAL A 1 518 . 27.97 57.12 56.474 1 28.46 ? CG1 VAL A 518 1 -ATOM 3958 C CG2 . VAL A 1 518 . 29.428 58.554 57.996 1 21.55 ? CG2 VAL A 518 1 -ATOM 3959 N N . GLN A 1 519 . 28.214 56.902 60.832 1 22.65 ? N GLN A 519 1 -ATOM 3960 C CA . GLN A 1 519 . 28.449 56.063 62.017 1 24.45 ? CA GLN A 519 1 -ATOM 3961 C C . GLN A 1 519 . 27.175 55.603 62.702 1 22.52 ? C GLN A 519 1 -ATOM 3962 O O . GLN A 1 519 . 26.929 54.421 62.883 1 24 ? O GLN A 519 1 -ATOM 3963 C CB . GLN A 1 519 . 29.347 56.8 63.032 1 32.94 ? CB GLN A 519 1 -ATOM 3964 C CG . GLN A 1 519 . 30.815 57.005 62.565 1 45.37 ? CG GLN A 519 1 -ATOM 3965 C CD . GLN A 1 519 . 31.899 56.076 63.138 1 53.76 ? CD GLN A 519 1 -ATOM 3966 O OE1 . GLN A 1 519 . 32.995 56.074 62.6 1 55.27 ? OE1 GLN A 519 1 -ATOM 3967 N NE2 . GLN A 1 519 . 31.604 55.292 64.188 1 57.01 ? NE2 GLN A 519 1 -ATOM 3968 N N . MET A 1 520 . 26.362 56.589 63.069 1 18.13 ? N MET A 520 1 -ATOM 3969 C CA . MET A 1 520 . 25.139 56.218 63.731 1 17.36 ? CA MET A 520 1 -ATOM 3970 C C . MET A 1 520 . 24.192 55.493 62.79 1 17.54 ? C MET A 520 1 -ATOM 3971 O O . MET A 1 520 . 23.574 54.475 63.097 1 20.36 ? O MET A 520 1 -ATOM 3972 C CB . MET A 1 520 . 24.492 57.463 64.356 1 21.26 ? CB MET A 520 1 -ATOM 3973 C CG . MET A 1 520 . 25.296 58.011 65.558 1 29.41 ? CG MET A 520 1 -ATOM 3974 S SD . MET A 1 520 . 25.354 56.747 66.907 1 39.85 ? SD MET A 520 1 -ATOM 3975 C CE . MET A 1 520 . 27.122 56.322 67.005 1 34.92 ? CE MET A 520 1 -ATOM 3976 N N . CYS A 1 521 . 24.081 56.023 61.579 1 17.21 ? N CYS A 521 1 -ATOM 3977 C CA . CYS A 1 521 . 23.154 55.371 60.677 1 14 ? CA CYS A 521 1 -ATOM 3978 C C . CYS A 1 521 . 23.529 53.95 60.292 1 16.98 ? C CYS A 521 1 -ATOM 3979 O O . CYS A 1 521 . 22.612 53.181 60.031 1 17.51 ? O CYS A 521 1 -ATOM 3980 C CB . CYS A 1 521 . 22.786 56.281 59.529 1 8.52 ? CB CYS A 521 1 -ATOM 3981 S SG . CYS A 1 521 . 21.751 57.655 60.125 1 16.59 ? SG CYS A 521 1 -ATOM 3982 N N . VAL A 1 522 . 24.819 53.545 60.268 1 17.4 ? N VAL A 522 1 -ATOM 3983 C CA . VAL A 1 522 . 25.074 52.145 59.913 1 18.14 ? CA VAL A 522 1 -ATOM 3984 C C . VAL A 1 522 . 24.569 51.258 61.053 1 19.65 ? C VAL A 522 1 -ATOM 3985 O O . VAL A 1 522 . 24.107 50.131 60.864 1 20.84 ? O VAL A 522 1 -ATOM 3986 C CB . VAL A 1 522 . 26.535 51.858 59.422 1 18.71 ? CB VAL A 522 1 -ATOM 3987 C CG1 . VAL A 1 522 . 27.443 53.092 59.3 1 18.1 ? CG1 VAL A 522 1 -ATOM 3988 C CG2 . VAL A 1 522 . 27.275 50.71 60.133 1 19.79 ? CG2 VAL A 522 1 -ATOM 3989 N N . PHE A 1 523 . 24.641 51.823 62.273 1 17.39 ? N PHE A 523 1 -ATOM 3990 C CA . PHE A 1 523 . 24.176 51.083 63.433 1 9.03 ? CA PHE A 523 1 -ATOM 3991 C C . PHE A 1 523 . 22.695 50.785 63.259 1 8.45 ? C PHE A 523 1 -ATOM 3992 O O . PHE A 1 523 . 22.258 49.643 63.346 1 3.41 ? O PHE A 523 1 -ATOM 3993 C CB . PHE A 1 523 . 24.518 51.825 64.769 1 7.45 ? CB PHE A 523 1 -ATOM 3994 C CG . PHE A 1 523 . 23.72 51.305 65.945 1 5.37 ? CG PHE A 523 1 -ATOM 3995 C CD1 . PHE A 1 523 . 24.035 50.067 66.541 1 6.23 ? CD1 PHE A 523 1 -ATOM 3996 C CD2 . PHE A 1 523 . 22.576 52.001 66.37 1 3.83 ? CD2 PHE A 523 1 -ATOM 3997 C CE1 . PHE A 1 523 . 23.19 49.508 67.508 1 2 ? CE1 PHE A 523 1 -ATOM 3998 C CE2 . PHE A 1 523 . 21.724 51.438 67.331 1 7.44 ? CE2 PHE A 523 1 -ATOM 3999 C CZ . PHE A 1 523 . 22.026 50.187 67.892 1 6.72 ? CZ PHE A 523 1 -ATOM 4000 N N . TRP A 1 524 . 21.937 51.834 62.952 1 7.86 ? N TRP A 524 1 -ATOM 4001 C CA . TRP A 1 524 . 20.5 51.585 62.835 1 11.1 ? CA TRP A 524 1 -ATOM 4002 C C . TRP A 1 524 . 20.04 50.879 61.586 1 15.89 ? C TRP A 524 1 -ATOM 4003 O O . TRP A 1 524 . 19.126 50.063 61.596 1 17.8 ? O TRP A 524 1 -ATOM 4004 C CB . TRP A 1 524 . 19.715 52.895 62.845 1 12.61 ? CB TRP A 524 1 -ATOM 4005 C CG . TRP A 1 524 . 19.798 53.607 64.177 1 15.47 ? CG TRP A 524 1 -ATOM 4006 C CD1 . TRP A 1 524 . 20.569 54.758 64.435 1 15.71 ? CD1 TRP A 524 1 -ATOM 4007 C CD2 . TRP A 1 524 . 19.075 53.306 65.356 1 18.98 ? CD2 TRP A 524 1 -ATOM 4008 N NE1 . TRP A 1 524 . 20.342 55.184 65.697 1 20.24 ? NE1 TRP A 524 1 -ATOM 4009 C CE2 . TRP A 1 524 . 19.442 54.362 66.316 1 19.98 ? CE2 TRP A 524 1 -ATOM 4010 C CE3 . TRP A 1 524 . 18.15 52.319 65.742 1 19.46 ? CE3 TRP A 524 1 -ATOM 4011 C CZ2 . TRP A 1 524 . 18.834 54.384 67.573 1 19.02 ? CZ2 TRP A 524 1 -ATOM 4012 C CZ3 . TRP A 1 524 . 17.566 52.368 67.018 1 17.22 ? CZ3 TRP A 524 1 -ATOM 4013 C CH2 . TRP A 1 524 . 17.898 53.396 67.915 1 18.94 ? CH2 TRP A 524 1 -ATOM 4014 N N . ASN A 1 525 . 20.692 51.232 60.494 1 17.1 ? N ASN A 525 1 -ATOM 4015 C CA . ASN A 1 525 . 20.282 50.645 59.219 1 16.79 ? CA ASN A 525 1 -ATOM 4016 C C . ASN A 1 525 . 20.845 49.277 58.944 1 14.42 ? C ASN A 525 1 -ATOM 4017 O O . ASN A 1 525 . 20.261 48.52 58.189 1 16.93 ? O ASN A 525 1 -ATOM 4018 C CB . ASN A 1 525 . 20.606 51.587 58.051 1 17.2 ? CB ASN A 525 1 -ATOM 4019 C CG . ASN A 1 525 . 19.745 52.837 58.125 1 18.04 ? CG ASN A 525 1 -ATOM 4020 O OD1 . ASN A 1 525 . 18.776 52.946 58.867 1 21.34 ? OD1 ASN A 525 1 -ATOM 4021 N ND2 . ASN A 1 525 . 20.136 53.832 57.342 1 14.58 ? ND2 ASN A 525 1 -ATOM 4022 N N . GLN A 1 526 . 21.976 48.93 59.546 1 12.51 ? N GLN A 526 1 -ATOM 4023 C CA . GLN A 1 526 . 22.513 47.607 59.243 1 14.28 ? CA GLN A 526 1 -ATOM 4024 C C . GLN A 1 526 . 22.716 46.736 60.47 1 16.98 ? C GLN A 526 1 -ATOM 4025 O O . GLN A 1 526 . 22.32 45.578 60.494 1 19.08 ? O GLN A 526 1 -ATOM 4026 C CB . GLN A 1 526 . 23.829 47.745 58.438 1 13.48 ? CB GLN A 526 1 -ATOM 4027 C CG . GLN A 1 526 . 23.65 48.678 57.207 1 17.9 ? CG GLN A 526 1 -ATOM 4028 N N . PHE A 1 527 . 23.318 47.297 61.527 1 16.07 ? N PHE A 527 1 -ATOM 4029 C CA . PHE A 1 527 . 23.563 46.421 62.686 1 16.54 ? CA PHE A 527 1 -ATOM 4030 C C . PHE A 1 527 . 22.332 46.007 63.488 1 16.59 ? C PHE A 527 1 -ATOM 4031 O O . PHE A 1 527 . 22.007 44.828 63.604 1 13.61 ? O PHE A 527 1 -ATOM 4032 C CB . PHE A 1 527 . 24.655 47.012 63.596 1 14.68 ? CB PHE A 527 1 -ATOM 4033 C CG . PHE A 1 527 . 25.076 46.046 64.677 1 10.73 ? CG PHE A 527 1 -ATOM 4034 C CD1 . PHE A 1 527 . 25.852 44.917 64.363 1 11.88 ? CD1 PHE A 527 1 -ATOM 4035 C CD2 . PHE A 1 527 . 24.671 46.263 66.008 1 12.72 ? CD2 PHE A 527 1 -ATOM 4036 C CE1 . PHE A 1 527 . 26.214 44.004 65.365 1 13.01 ? CE1 PHE A 527 1 -ATOM 4037 C CE2 . PHE A 1 527 . 25.025 45.356 67.012 1 8.78 ? CE2 PHE A 527 1 -ATOM 4038 C CZ . PHE A 1 527 . 25.794 44.223 66.689 1 12.29 ? CZ PHE A 527 1 -ATOM 4039 N N . LEU A 1 528 . 21.662 47.022 64.063 1 16.71 ? N LEU A 528 1 -ATOM 4040 C CA . LEU A 1 528 . 20.475 46.833 64.892 1 14.7 ? CA LEU A 528 1 -ATOM 4041 C C . LEU A 1 528 . 19.553 45.799 64.305 1 18.13 ? C LEU A 528 1 -ATOM 4042 O O . LEU A 1 528 . 19.262 44.812 64.965 1 20.42 ? O LEU A 528 1 -ATOM 4043 C CB . LEU A 1 528 . 19.785 48.171 65.282 1 15.48 ? CB LEU A 528 1 -ATOM 4044 C CG . LEU A 1 528 . 18.899 48.182 66.562 1 17.15 ? CG LEU A 528 1 -ATOM 4045 C CD1 . LEU A 1 528 . 17.433 47.902 66.268 1 17.51 ? CD1 LEU A 528 1 -ATOM 4046 C CD2 . LEU A 1 528 . 19.384 47.234 67.68 1 22.24 ? CD2 LEU A 528 1 -ATOM 4047 N N . PRO A 1 529 . 19.117 45.982 63.041 1 21.47 ? N PRO A 529 1 -ATOM 4048 C CA . PRO A 1 529 . 18.174 45.038 62.469 1 19.45 ? CA PRO A 529 1 -ATOM 4049 C C . PRO A 1 529 . 18.692 43.611 62.49 1 19.92 ? C PRO A 529 1 -ATOM 4050 O O . PRO A 1 529 . 17.931 42.702 62.791 1 22.84 ? O PRO A 529 1 -ATOM 4051 C CB . PRO A 1 529 . 17.891 45.584 61.059 1 20.48 ? CB PRO A 529 1 -ATOM 4052 C CG . PRO A 1 529 . 18.428 47.033 61.03 1 22.9 ? CG PRO A 529 1 -ATOM 4053 C CD . PRO A 1 529 . 19.505 47.054 62.112 1 24.83 ? CD PRO A 529 1 -ATOM 4054 N N . LYS A 1 530 . 19.993 43.418 62.184 1 20.19 ? N LYS A 530 1 -ATOM 4055 C CA . LYS A 1 530 . 20.52 42.043 62.197 1 21.49 ? CA LYS A 530 1 -ATOM 4056 C C . LYS A 1 530 . 20.456 41.436 63.567 1 22.31 ? C LYS A 530 1 -ATOM 4057 O O . LYS A 1 530 . 20.13 40.275 63.761 1 21.11 ? O LYS A 530 1 -ATOM 4058 C CB . LYS A 1 530 . 22.023 41.919 61.863 1 24.91 ? CB LYS A 530 1 -ATOM 4059 C CG . LYS A 1 530 . 22.412 42.144 60.399 1 33.7 ? CG LYS A 530 1 -ATOM 4060 C CD . LYS A 1 530 . 23.846 41.645 60.116 1 35.91 ? CD LYS A 530 1 -ATOM 4061 C CE . LYS A 1 530 . 23.982 40.107 60.198 1 38.83 ? CE LYS A 530 1 -ATOM 4062 N NZ . LYS A 1 530 . 25.241 39.667 59.617 1 41.88 ? NZ LYS A 530 1 -ATOM 4063 N N . LEU A 1 531 . 20.847 42.28 64.517 1 22.3 ? N LEU A 531 1 -ATOM 4064 C CA . LEU A 1 531 . 20.876 41.865 65.898 1 18.46 ? CA LEU A 531 1 -ATOM 4065 C C . LEU A 1 531 . 19.522 41.358 66.294 1 17.79 ? C LEU A 531 1 -ATOM 4066 O O . LEU A 1 531 . 19.353 40.208 66.678 1 16.65 ? O LEU A 531 1 -ATOM 4067 C CB . LEU A 1 531 . 21.411 43.01 66.772 1 17.72 ? CB LEU A 531 1 -ATOM 4068 C CG . LEU A 1 531 . 21.552 42.671 68.27 1 15.86 ? CG LEU A 531 1 -ATOM 4069 C CD1 . LEU A 1 531 . 22.744 43.392 68.889 1 16.38 ? CD1 LEU A 531 1 -ATOM 4070 C CD2 . LEU A 1 531 . 20.288 43.038 69.055 1 16.82 ? CD2 LEU A 531 1 -ATOM 4071 N N . LEU A 1 532 . 18.546 42.244 66.105 1 15.97 ? N LEU A 532 1 -ATOM 4072 C CA . LEU A 1 532 . 17.185 41.887 66.469 1 20.58 ? CA LEU A 532 1 -ATOM 4073 C C . LEU A 1 532 . 16.678 40.657 65.76 1 24 ? C LEU A 532 1 -ATOM 4074 O O . LEU A 1 532 . 15.829 39.963 66.296 1 29.22 ? O LEU A 532 1 -ATOM 4075 C CB . LEU A 1 532 . 16.181 43.042 66.267 1 15.9 ? CB LEU A 532 1 -ATOM 4076 C CG . LEU A 1 532 . 16.396 44.267 67.183 1 18.48 ? CG LEU A 532 1 -ATOM 4077 C CD1 . LEU A 1 532 . 15.331 45.338 66.923 1 16.5 ? CD1 LEU A 532 1 -ATOM 4078 C CD2 . LEU A 1 532 . 16.394 43.907 68.686 1 17.77 ? CD2 LEU A 532 1 -ATOM 4079 N N . ASN A 1 533 . 17.185 40.405 64.549 1 27.83 ? N ASN A 533 1 -ATOM 4080 C CA . ASN A 1 533 . 16.745 39.236 63.789 1 28.48 ? CA ASN A 533 1 -ATOM 4081 C C . ASN A 1 533 . 17.405 37.945 64.224 1 30.57 ? C ASN A 533 1 -ATOM 4082 O O . ASN A 1 533 . 16.837 36.864 64.159 1 29.7 ? O ASN A 533 1 -ATOM 4083 C CB . ASN A 1 533 . 17.09 39.419 62.312 1 26.73 ? CB ASN A 533 1 -ATOM 4084 N N . ALA A 1 534 . 18.662 38.069 64.651 1 32.89 ? N ALA A 534 1 -ATOM 4085 C CA . ALA A 1 534 . 19.349 36.857 65.054 1 36.26 ? CA ALA A 534 1 -ATOM 4086 C C . ALA A 1 534 . 18.814 36.337 66.354 1 42.3 ? C ALA A 534 1 -ATOM 4087 O O . ALA A 1 534 . 18.765 35.133 66.595 1 44.56 ? O ALA A 534 1 -ATOM 4088 C CB . ALA A 1 534 . 20.852 37.072 65.222 1 32.57 ? CB ALA A 534 1 -ATOM 4089 N N . THR A 1 535 . 18.484 37.298 67.215 1 47.29 ? N THR A 535 1 -ATOM 4090 C CA . THR A 1 535 . 17.953 36.96 68.511 1 51.46 ? CA THR A 535 1 -ATOM 4091 C C . THR A 1 535 . 16.502 36.487 68.376 1 53.1 ? C THR A 535 1 -ATOM 4092 O O . THR A 1 535 . 15.627 37.055 69.04 1 57.37 ? O THR A 535 1 -ATOM 4093 C CB . THR A 1 535 . 18.06 38.196 69.422 1 53.08 ? CB THR A 535 1 -ATOM 4094 O OG1 . THR A 1 535 . 19.279 38.91 69.244 1 52.38 ? OG1 THR A 535 1 -ATOM 4095 C CG2 . THR A 1 535 . 18.026 37.829 70.916 1 59.93 ? CG2 THR A 535 1 -HETATM 4096 C C1 . THA B 2 . . 6.362 71.261 69.025 1 22.38 ? C1 THA A 999 1 -HETATM 4097 C C2 . THA B 2 . . 6.697 70.955 67.712 1 25.41 ? C2 THA A 999 1 -HETATM 4098 C C3 . THA B 2 . . 5.719 70.518 66.819 1 24.66 ? C3 THA A 999 1 -HETATM 4099 C C4 . THA B 2 . . 4.351 70.381 67.26 1 21.7 ? C4 THA A 999 1 -HETATM 4100 C C5 . THA B 2 . . 4.056 70.702 68.603 1 20.76 ? C5 THA A 999 1 -HETATM 4101 C C6 . THA B 2 . . 5.053 71.136 69.468 1 18.93 ? C6 THA A 999 1 -HETATM 4102 N N7 . THA B 2 . . 6.068 70.236 65.585 1 21.62 ? N7 THA A 999 1 -HETATM 4103 C C8 . THA B 2 . . 5.207 69.821 64.683 1 20.49 ? C8 THA A 999 1 -HETATM 4104 C C9 . THA B 2 . . 3.833 69.634 64.995 1 19.83 ? C9 THA A 999 1 -HETATM 4105 C C10 . THA B 2 . . 3.396 69.933 66.309 1 17.75 ? C10 THA A 999 1 -HETATM 4106 C C11 . THA B 2 . . 5.776 69.459 63.289 1 18.3 ? C11 THA A 999 1 -HETATM 4107 C C12 . THA B 2 . . 4.736 69.363 62.145 1 20.27 ? C12 THA A 999 1 -HETATM 4108 C C13 . THA B 2 . . 3.515 68.54 62.597 1 19.36 ? C13 THA A 999 1 -HETATM 4109 C C14 . THA B 2 . . 2.86 69.177 63.848 1 21.42 ? C14 THA A 999 1 -HETATM 4110 N N15 . THA B 2 . . 2.092 69.798 66.625 1 20.69 ? N15 THA A 999 1 -HETATM 4111 O O . HOH C 3 . . 21.436 52.967 54.67 1 16.26 ? O HOH A 601 1 -HETATM 4112 O O . HOH C 3 . . -9.713 62.939 60.08 1 9.25 ? O HOH A 602 1 -HETATM 4113 O O . HOH C 3 . . 24.198 67.851 85.549 1 70.2 ? O HOH A 603 1 -HETATM 4114 O O . HOH C 3 . . 3.897 69.768 58.109 1 2 ? O HOH A 604 1 -HETATM 4115 O O . HOH C 3 . . -1.728 70.694 53.271 1 6.67 ? O HOH A 605 1 -HETATM 4116 O O . HOH C 3 . . -14.301 59.527 57.034 1 6.46 ? O HOH A 606 1 -HETATM 4117 O O . HOH C 3 . . -2.078 69.35 67.406 1 12.08 ? O HOH A 607 1 -HETATM 4118 O O . HOH C 3 . . -6.865 62.657 65.578 1 12.95 ? O HOH A 608 1 -HETATM 4119 O O . HOH C 3 . . 0.027 70.297 60.632 1 6.46 ? O HOH A 609 1 -HETATM 4120 O O . HOH C 3 . . -3.893 52.228 41.33 1 39.68 ? O HOH A 610 1 -HETATM 4121 O O . HOH C 3 . . 7.233 80.005 68.092 1 36.26 ? O HOH A 611 1 -HETATM 4122 O O . HOH C 3 . . 24.646 60.791 40.027 1 18.08 ? O HOH A 612 1 -HETATM 4123 O O . HOH C 3 . . 21.313 59.198 38.314 1 36.84 ? O HOH A 613 1 -HETATM 4124 O O . HOH C 3 . . -0.421 64.062 59.32 1 12.5 ? O HOH A 614 1 -HETATM 4125 O O . HOH C 3 . . 0.001 83.914 58.002 1 43.23 ? O HOH A 615 1 -HETATM 4126 O O . HOH C 3 . . -0.46 66.877 69.033 1 36.24 ? O HOH A 616 1 -HETATM 4127 O O . HOH C 3 . . 2.101 41.668 61.98 1 40.25 ? O HOH A 617 1 -HETATM 4128 O O . HOH C 3 . . 10.934 56.303 68.662 1 12.08 ? O HOH A 618 1 -HETATM 4129 O O . HOH C 3 . . 2.682 81.87 62.939 1 32.61 ? O HOH A 619 1 -HETATM 4130 O O . HOH C 3 . . 3.3 53.939 63.596 1 18.53 ? O HOH A 620 1 -HETATM 4131 O O . HOH C 3 . . 10.421 48.537 38.102 1 64.57 ? O HOH A 621 1 -HETATM 4132 O O . HOH C 3 . . 18.266 72.459 85.879 1 58.97 ? O HOH A 622 1 -HETATM 4133 O O . HOH C 3 . . -1.187 96.318 44.308 1 54.71 ? O HOH A 623 1 -HETATM 4134 O O . HOH C 3 . . 10.416 69.328 59.826 1 5.83 ? O HOH A 624 1 -HETATM 4135 O O . HOH C 3 . . -12.114 68.571 37.502 1 32.99 ? O HOH A 625 1 -HETATM 4136 O O . HOH C 3 . . -6.304 61.451 71.954 1 42.24 ? O HOH A 626 1 -HETATM 4137 O O . HOH C 3 . . -6.447 50.296 61.416 1 10.24 ? O HOH A 627 1 -HETATM 4138 O O . HOH C 3 . . 2.152 63.062 72.71 1 61.59 ? O HOH A 628 1 -HETATM 4139 O O . HOH C 3 . . 31.963 66.709 56.534 1 16.65 ? O HOH A 629 1 -HETATM 4140 O O . HOH C 3 . . 9.379 58.011 85.633 1 44.47 ? O HOH A 630 1 -HETATM 4141 O O . HOH C 3 . . -7.92 58.968 44.298 1 42.11 ? O HOH A 631 1 -HETATM 4142 O O . HOH C 3 . . 9.288 57.159 35.791 1 36.44 ? O HOH A 632 1 -HETATM 4143 O O . HOH C 3 . . -3.902 51.644 60.543 1 9.44 ? O HOH A 633 1 -HETATM 4144 O O . HOH C 3 . . -0.179 69.329 64.529 1 24.06 ? O HOH A 634 1 -HETATM 4145 O O . HOH C 3 . . 12.302 66.886 33.785 1 33.25 ? O HOH A 635 1 -HETATM 4146 O O . HOH C 3 . . -0.829 58.797 69.112 1 22.6 ? O HOH A 636 1 -HETATM 4147 O O . HOH C 3 . . 5.229 58.019 35.824 1 20.86 ? O HOH A 637 1 -HETATM 4148 O O . HOH C 3 . . 6.341 81.499 64.81 1 23.9 ? O HOH A 638 1 -HETATM 4149 O O . HOH C 3 . . -12.258 64.448 59.54 1 42.34 ? O HOH A 639 1 -HETATM 4150 O O . HOH C 3 . . 7.609 52.533 56.827 1 30.17 ? O HOH A 640 1 -HETATM 4151 O O . HOH C 3 . . 24.358 57.909 56.015 1 36.95 ? O HOH A 641 1 -HETATM 4152 O O . HOH C 3 . . 5.862 63.777 80.088 1 61.65 ? O HOH A 642 1 -HETATM 4153 O O . HOH C 3 . . 0.529 71.248 68.951 1 20.34 ? O HOH A 643 1 -HETATM 4154 O O . HOH C 3 . . 11.37 63.907 35.699 1 19.83 ? O HOH A 644 1 -HETATM 4155 O O . HOH C 3 . . 2.328 91.164 54.939 1 13.04 ? O HOH A 645 1 -HETATM 4156 O O . HOH C 3 . . -15.401 67.703 52.231 1 24.77 ? O HOH A 646 1 -HETATM 4157 O O . HOH C 3 . . -2.176 79.106 62.623 1 32.03 ? O HOH A 647 1 -HETATM 4158 O O . HOH C 3 . . 25.329 55.453 53.425 1 40.01 ? O HOH A 648 1 -HETATM 4159 O O . HOH C 3 . . 25.021 64.798 35.997 1 30.72 ? O HOH A 649 1 -HETATM 4160 O O . HOH C 3 . . 13.669 47.295 59.66 1 45.32 ? O HOH A 650 1 -HETATM 4161 O O . HOH C 3 . . -13.244 50.312 44.199 1 54.67 ? O HOH A 651 1 -HETATM 4162 O O . HOH C 3 . . 3.242 83.352 32.284 1 34.21 ? O HOH A 652 1 -HETATM 4163 O O . HOH C 3 . . -5.381 58.887 37.832 1 40.03 ? O HOH A 653 1 -HETATM 4164 O O . HOH C 3 . . 12.644 49.806 33.065 1 51.32 ? O HOH A 654 1 -HETATM 4165 O O . HOH C 3 . . 7.81 76.268 61.395 1 50.53 ? O HOH A 655 1 -HETATM 4166 O O . HOH C 3 . . -0.969 59.532 33.421 1 25.89 ? O HOH A 656 1 -HETATM 4167 O O . HOH C 3 . . -14.849 67.281 39.525 1 42.11 ? O HOH A 657 1 -HETATM 4168 O O . HOH C 3 . . -18.694 86.088 50.675 1 47.8 ? O HOH A 658 1 -HETATM 4169 O O . HOH C 3 . . -15.52 83.163 31.58 1 47.06 ? O HOH A 659 1 -HETATM 4170 O O . HOH C 3 . . 21.328 50.999 53.078 1 17.17 ? O HOH A 660 1 -HETATM 4171 O O . HOH C 3 . . 18.419 92.769 62.731 1 36.34 ? O HOH A 661 1 -HETATM 4172 O O . HOH C 3 . . 29.951 58.597 85.155 1 72.74 ? O HOH A 662 1 -HETATM 4173 O O . HOH C 3 . . 20.915 62.497 36.857 1 27.46 ? O HOH A 663 1 -HETATM 4174 O O . HOH C 3 . . 23.889 59.314 35.821 1 40.76 ? O HOH A 664 1 -HETATM 4175 O O . HOH C 3 . . -0.387 90.815 55.611 1 41.4 ? O HOH A 665 1 -HETATM 4176 O O . HOH C 3 . . 4.85 58.304 76.42 1 53.69 ? O HOH A 666 1 -HETATM 4177 O O . HOH C 3 . . 19.66 62.741 32.748 1 83.14 ? O HOH A 667 1 -HETATM 4178 O O . HOH C 3 . . -19.347 84.392 54.165 1 37.79 ? O HOH A 668 1 -HETATM 4179 O O . HOH C 3 . . 11.705 50.605 81.909 1 43.68 ? O HOH A 669 1 -HETATM 4180 O O . HOH C 3 . . 13.043 77.224 85.64 1 50.32 ? O HOH A 670 1 -HETATM 4181 O O . HOH C 3 . . 32.987 69.879 57.554 1 28.33 ? O HOH A 671 1 -HETATM 4182 O O . HOH C 3 . . 22.971 53.558 52.37 1 84.49 ? O HOH A 672 1 -HETATM 4183 O O . HOH C 3 . . 15.23 62.617 89.723 1 55.09 ? O HOH A 673 1 -HETATM 4184 O O . HOH C 3 . . 8.378 94.303 47.727 1 56.64 ? O HOH A 674 1 -HETATM 4185 O O . HOH C 3 . . -21.202 67.831 58.722 1 68.4 ? O HOH A 675 1 -HETATM 4186 O O . HOH C 3 . . -11.439 84.351 57.579 1 46.3 ? O HOH A 676 1 -HETATM 4187 O O . HOH C 3 . . 16.299 59.93 32.317 1 40.67 ? O HOH A 677 1 -HETATM 4188 O O . HOH C 3 . . 3.879 46.681 60.148 1 67.54 ? O HOH A 678 1 -HETATM 4189 O O . HOH C 3 . . 17.253 64.097 87.165 1 52.19 ? O HOH A 679 1 -HETATM 4190 O O . HOH C 3 . . 19.551 31.826 68.006 1 39.5 ? O HOH A 680 1 -HETATM 4191 O O . HOH C 3 . . 23.095 67.354 48.33 1 12.96 ? O HOH A 681 1 -HETATM 4192 O O . HOH C 3 . . -13.326 47.816 47.354 1 46.29 ? O HOH A 682 1 +ATOM 1 N N SER 4 . . A 1 -12.503 89.084 35.13 1 66.28 ? N SER 4 A 1 +ATOM 2 C CA SER 4 . . A 1 -12.189 87.877 35.866 1 63.52 ? CA SER 4 A 1 +ATOM 3 C C SER 4 . . A 1 -11.066 88.196 36.842 1 59.52 ? C SER 4 A 1 +ATOM 4 O O SER 4 . . A 1 -11.26 89.101 37.633 1 57.7 ? O SER 4 A 1 +ATOM 5 C CB SER 4 . . A 1 -12.025 86.72 34.856 1 67.07 ? CB SER 4 A 1 +ATOM 6 O OG SER 4 . . A 1 -13.195 86.792 34.018 1 70.02 ? OG SER 4 A 1 +ATOM 7 N N GLU 5 . . A 1 -9.92 87.515 36.768 1 54.99 ? N GLU 5 A 1 +ATOM 8 C CA GLU 5 . . A 1 -8.763 87.673 37.662 1 47.42 ? CA GLU 5 A 1 +ATOM 9 C C GLU 5 . . A 1 -9.082 86.841 38.872 1 43.05 ? C GLU 5 A 1 +ATOM 10 O O GLU 5 . . A 1 -8.332 85.956 39.236 1 44.4 ? O GLU 5 A 1 +ATOM 11 C CB GLU 5 . . A 1 -8.315 89.106 38.012 1 47.14 ? CB GLU 5 A 1 +ATOM 12 C CG GLU 5 . . A 1 -7.047 89.19 38.917 1 51.13 ? CG GLU 5 A 1 +ATOM 13 C CD GLU 5 . . A 1 -5.714 88.67 38.353 1 52.76 ? CD GLU 5 A 1 +ATOM 14 O OE1 GLU 5 . . A 1 -5.502 88.765 37.15 1 54.93 ? OE1 GLU 5 A 1 +ATOM 15 O OE2 GLU 5 . . A 1 -4.88 88.179 39.122 1 56.48 ? OE2 GLU 5 A 1 +ATOM 16 N N LEU 6 . . A 1 -10.253 87.138 39.444 1 36.79 ? N LEU 6 A 1 +ATOM 17 C CA LEU 6 . . A 1 -10.748 86.426 40.612 1 32.75 ? CA LEU 6 A 1 +ATOM 18 C C LEU 6 . . A 1 -11.84 85.431 40.295 1 33.35 ? C LEU 6 A 1 +ATOM 19 O O LEU 6 . . A 1 -12.296 84.7 41.162 1 35.53 ? O LEU 6 A 1 +ATOM 20 C CB LEU 6 . . A 1 -11.321 87.429 41.633 1 28.61 ? CB LEU 6 A 1 +ATOM 21 C CG LEU 6 . . A 1 -10.276 87.885 42.667 1 29.95 ? CG LEU 6 A 1 +ATOM 22 C CD1 LEU 6 . . A 1 -9.06 88.579 42.04 1 28.52 ? CD1 LEU 6 A 1 +ATOM 23 C CD2 LEU 6 . . A 1 -10.937 88.762 43.732 1 28.46 ? CD2 LEU 6 A 1 +ATOM 24 N N LEU 7 . . A 1 -12.302 85.444 39.053 1 33.35 ? N LEU 7 A 1 +ATOM 25 C CA LEU 7 . . A 1 -13.363 84.515 38.679 1 33.07 ? CA LEU 7 A 1 +ATOM 26 C C LEU 7 . . A 1 -12.689 83.488 37.822 1 32.11 ? C LEU 7 A 1 +ATOM 27 O O LEU 7 . . A 1 -12.018 83.906 36.874 1 36.48 ? O LEU 7 A 1 +ATOM 28 C CB LEU 7 . . A 1 -14.409 85.233 37.811 1 33.65 ? CB LEU 7 A 1 +ATOM 29 C CG LEU 7 . . A 1 -15.741 84.489 37.662 1 33.73 ? CG LEU 7 A 1 +ATOM 30 C CD1 LEU 7 . . A 1 -15.669 83.103 37.017 1 34.68 ? CD1 LEU 7 A 1 +ATOM 31 C CD2 LEU 7 . . A 1 -16.471 84.394 38.993 1 34.9 ? CD2 LEU 7 A 1 +ATOM 32 N N VAL 8 . . A 1 -12.856 82.204 38.136 1 24.81 ? N VAL 8 A 1 +ATOM 33 C CA VAL 8 . . A 1 -12.232 81.181 37.334 1 21.36 ? CA VAL 8 A 1 +ATOM 34 C C VAL 8 . . A 1 -13.261 80.103 37.069 1 25.4 ? C VAL 8 A 1 +ATOM 35 O O VAL 8 . . A 1 -14.082 79.793 37.921 1 27.94 ? O VAL 8 A 1 +ATOM 36 C CB VAL 8 . . A 1 -11.015 80.653 38.107 1 15.33 ? CB VAL 8 A 1 +ATOM 37 C CG1 VAL 8 . . A 1 -10.339 79.451 37.43 1 17.12 ? CG1 VAL 8 A 1 +ATOM 38 C CG2 VAL 8 . . A 1 -9.983 81.78 38.306 1 14.32 ? CG2 VAL 8 A 1 +ATOM 39 N N ASN 9 . . A 1 -13.228 79.552 35.849 1 29.47 ? N ASN 9 A 1 +ATOM 40 C CA ASN 9 . . A 1 -14.133 78.459 35.493 1 33.22 ? CA ASN 9 A 1 +ATOM 41 C C ASN 9 . . A 1 -13.227 77.276 35.611 1 34.13 ? C ASN 9 A 1 +ATOM 42 O O ASN 9 . . A 1 -12.125 77.308 35.074 1 35.41 ? O ASN 9 A 1 +ATOM 43 C CB ASN 9 . . A 1 -14.555 78.386 34.013 1 38.11 ? CB ASN 9 A 1 +ATOM 44 C CG ASN 9 . . A 1 -15.552 79.424 33.597 1 42.62 ? CG ASN 9 A 1 +ATOM 45 O OD1 ASN 9 . . A 1 -16.72 79.332 33.924 1 48.35 ? OD1 ASN 9 A 1 +ATOM 46 N ND2 ASN 9 . . A 1 -15.081 80.421 32.85 1 41.34 ? ND2 ASN 9 A 1 +ATOM 47 N N THR 10 . . A 1 -13.656 76.26 36.32 1 33.2 ? N THR 10 A 1 +ATOM 48 C CA THR 10 . . A 1 -12.829 75.086 36.438 1 30.23 ? CA THR 10 A 1 +ATOM 49 C C THR 10 . . A 1 -13.712 74.031 35.844 1 31.69 ? C THR 10 A 1 +ATOM 50 O O THR 10 . . A 1 -14.915 74.252 35.715 1 35.98 ? O THR 10 A 1 +ATOM 51 C CB THR 10 . . A 1 -12.478 74.82 37.913 1 27.41 ? CB THR 10 A 1 +ATOM 52 O OG1 THR 10 . . A 1 -13.619 74.419 38.674 1 24.65 ? OG1 THR 10 A 1 +ATOM 53 C CG2 THR 10 . . A 1 -11.894 76.058 38.615 1 27.48 ? CG2 THR 10 A 1 +ATOM 54 N N LYS 11 . . A 1 -13.156 72.866 35.542 1 27.84 ? N LYS 11 A 1 +ATOM 55 C CA LYS 11 . . A 1 -14.023 71.85 34.98 1 24.67 ? CA LYS 11 A 1 +ATOM 56 C C LYS 11 . . A 1 -15.154 71.44 35.929 1 24.68 ? C LYS 11 A 1 +ATOM 57 O O LYS 11 . . A 1 -16.072 70.775 35.486 1 27.54 ? O LYS 11 A 1 +ATOM 58 C CB LYS 11 . . A 1 -13.208 70.653 34.493 1 17.2 ? CB LYS 11 A 1 +ATOM 59 C CG LYS 11 . . A 1 -12.087 71.099 33.547 1 14.65 ? CG LYS 11 A 1 +ATOM 60 C CD LYS 11 . . A 1 -11.25 69.939 33.014 1 16.35 ? CD LYS 11 A 1 +ATOM 61 C CE LYS 11 . . A 1 -9.911 70.312 32.358 1 19.73 ? CE LYS 11 A 1 +ATOM 62 N NZ LYS 11 . . A 1 -9.107 69.103 32.179 1 22.74 ? NZ LYS 11 A 1 +ATOM 63 N N SER 12 . . A 1 -15.078 71.792 37.231 1 27.83 ? N SER 12 A 1 +ATOM 64 C CA SER 12 . . A 1 -16.163 71.425 38.154 1 28.06 ? CA SER 12 A 1 +ATOM 65 C C SER 12 . . A 1 -17.186 72.558 38.349 1 29.85 ? C SER 12 A 1 +ATOM 66 O O SER 12 . . A 1 -18.303 72.296 38.787 1 26.76 ? O SER 12 A 1 +ATOM 67 C CB SER 12 . . A 1 -15.645 71.067 39.569 1 28.31 ? CB SER 12 A 1 +ATOM 68 O OG SER 12 . . A 1 -14.456 70.262 39.614 1 28.89 ? OG SER 12 A 1 +ATOM 69 N N GLY 13 . . A 1 -16.789 73.809 38.067 1 27.92 ? N GLY 13 A 1 +ATOM 70 C CA GLY 13 . . A 1 -17.743 74.889 38.268 1 30.42 ? CA GLY 13 A 1 +ATOM 71 C C GLY 13 . . A 1 -16.97 76.173 38.361 1 32.86 ? C GLY 13 A 1 +ATOM 72 O O GLY 13 . . A 1 -15.75 76.147 38.199 1 31.43 ? O GLY 13 A 1 +ATOM 73 N N LYS 14 . . A 1 -17.661 77.3 38.603 1 34.06 ? N LYS 14 A 1 +ATOM 74 C CA LYS 14 . . A 1 -16.946 78.577 38.695 1 35.67 ? CA LYS 14 A 1 +ATOM 75 C C LYS 14 . . A 1 -16.546 78.847 40.127 1 34.96 ? C LYS 14 A 1 +ATOM 76 O O LYS 14 . . A 1 -17.215 78.37 41.034 1 34.65 ? O LYS 14 A 1 +ATOM 77 C CB LYS 14 . . A 1 -17.839 79.721 38.192 1 38.99 ? CB LYS 14 A 1 +ATOM 78 C CG LYS 14 . . A 1 -17.873 79.759 36.661 1 47.77 ? CG LYS 14 A 1 +ATOM 79 C CD LYS 14 . . A 1 -18.766 80.858 36.07 1 55.48 ? CD LYS 14 A 1 +ATOM 80 C CE LYS 14 . . A 1 -20.267 80.65 36.336 1 64.81 ? CE LYS 14 A 1 +ATOM 81 N NZ LYS 14 . . A 1 -20.749 79.427 35.705 1 71 ? NZ LYS 14 A 1 +ATOM 82 N N VAL 15 . . A 1 -15.479 79.629 40.328 1 34.04 ? N VAL 15 A 1 +ATOM 83 C CA VAL 15 . . A 1 -15.026 79.952 41.667 1 32.93 ? CA VAL 15 A 1 +ATOM 84 C C VAL 15 . . A 1 -14.591 81.417 41.683 1 34.62 ? C VAL 15 A 1 +ATOM 85 O O VAL 15 . . A 1 -13.953 81.902 40.751 1 29.89 ? O VAL 15 A 1 +ATOM 86 C CB VAL 15 . . A 1 -13.875 79.002 42.098 1 29.03 ? CB VAL 15 A 1 +ATOM 87 C CG1 VAL 15 . . A 1 -14.269 77.516 42.075 1 29.98 ? CG1 VAL 15 A 1 +ATOM 88 C CG2 VAL 15 . . A 1 -12.622 79.141 41.229 1 31.49 ? CG2 VAL 15 A 1 +ATOM 89 N N MET 16 . . A 1 -14.981 82.082 42.777 1 37.7 ? N MET 16 A 1 +ATOM 90 C CA MET 16 . . A 1 -14.696 83.486 43.083 1 39.31 ? CA MET 16 A 1 +ATOM 91 C C MET 16 . . A 1 -13.672 83.472 44.208 1 37.45 ? C MET 16 A 1 +ATOM 92 O O MET 16 . . A 1 -13.922 82.839 45.227 1 37.64 ? O MET 16 A 1 +ATOM 93 C CB MET 16 . . A 1 -15.964 84.164 43.671 1 43.76 ? CB MET 16 A 1 +ATOM 94 C CG MET 16 . . A 1 -16.786 84.967 42.656 1 51.8 ? CG MET 16 A 1 +ATOM 95 S SD MET 16 . . A 1 -15.852 86.472 42.182 1 59.52 ? SD MET 16 A 1 +ATOM 96 C CE MET 16 . . A 1 -16.117 87.473 43.685 1 62.28 ? CE MET 16 A 1 +ATOM 97 N N GLY 17 . . A 1 -12.555 84.166 44.044 1 35.12 ? N GLY 17 A 1 +ATOM 98 C CA GLY 17 . . A 1 -11.542 84.181 45.098 1 31.94 ? CA GLY 17 A 1 +ATOM 99 C C GLY 17 . . A 1 -11.538 85.515 45.789 1 29.25 ? C GLY 17 A 1 +ATOM 100 O O GLY 17 . . A 1 -12.538 86.225 45.821 1 29.77 ? O GLY 17 A 1 +ATOM 101 N N THR 18 . . A 1 -10.387 85.877 46.335 1 29.14 ? N THR 18 A 1 +ATOM 102 C CA THR 18 . . A 1 -10.24 87.143 47.021 1 32.39 ? CA THR 18 A 1 +ATOM 103 C C THR 18 . . A 1 -8.877 87.671 46.695 1 29.82 ? C THR 18 A 1 +ATOM 104 O O THR 18 . . A 1 -7.952 86.944 46.354 1 29.28 ? O THR 18 A 1 +ATOM 105 C CB THR 18 . . A 1 -10.27 86.929 48.552 1 38.14 ? CB THR 18 A 1 +ATOM 106 O OG1 THR 18 . . A 1 -11.384 86.119 48.917 1 42.11 ? OG1 THR 18 A 1 +ATOM 107 C CG2 THR 18 . . A 1 -10.355 88.216 49.399 1 41.82 ? CG2 THR 18 A 1 +ATOM 108 N N ARG 19 . . A 1 -8.772 88.981 46.807 1 28.01 ? N ARG 19 A 1 +ATOM 109 C CA ARG 19 . . A 1 -7.503 89.605 46.57 1 29.07 ? CA ARG 19 A 1 +ATOM 110 C C ARG 19 . . A 1 -6.948 89.704 47.989 1 30.93 ? C ARG 19 A 1 +ATOM 111 O O ARG 19 . . A 1 -7.634 90.258 48.842 1 35.56 ? O ARG 19 A 1 +ATOM 112 C CB ARG 19 . . A 1 -7.758 90.976 45.92 1 28.93 ? CB ARG 19 A 1 +ATOM 113 C CG ARG 19 . . A 1 -6.503 91.613 45.339 1 32.23 ? CG ARG 19 A 1 +ATOM 114 C CD ARG 19 . . A 1 -6.762 93.028 44.816 1 35.26 ? CD ARG 19 A 1 +ATOM 115 N N VAL 20 . . A 1 -5.76 89.164 48.263 1 30.18 ? N VAL 20 A 1 +ATOM 116 C CA VAL 20 . . A 1 -5.21 89.235 49.617 1 26.81 ? CA VAL 20 A 1 +ATOM 117 C C VAL 20 . . A 1 -3.984 90.126 49.576 1 28.42 ? C VAL 20 A 1 +ATOM 118 O O VAL 20 . . A 1 -3.243 90.053 48.604 1 28.65 ? O VAL 20 A 1 +ATOM 119 C CB VAL 20 . . A 1 -4.849 87.825 50.132 1 25.26 ? CB VAL 20 A 1 +ATOM 120 C CG1 VAL 20 . . A 1 -6.086 86.908 50.086 1 20.35 ? CG1 VAL 20 A 1 +ATOM 121 C CG2 VAL 20 . . A 1 -3.672 87.168 49.377 1 25.28 ? CG2 VAL 20 A 1 +ATOM 122 N N PRO 21 . . A 1 -3.764 90.961 50.603 1 29.36 ? N PRO 21 A 1 +ATOM 123 C CA PRO 21 . . A 1 -2.543 91.749 50.665 1 28.64 ? CA PRO 21 A 1 +ATOM 124 C C PRO 21 . . A 1 -1.347 90.886 50.931 1 28.38 ? C PRO 21 A 1 +ATOM 125 O O PRO 21 . . A 1 -1.405 89.986 51.758 1 29.32 ? O PRO 21 A 1 +ATOM 126 C CB PRO 21 . . A 1 -2.741 92.681 51.869 1 30.26 ? CB PRO 21 A 1 +ATOM 127 C CG PRO 21 . . A 1 -4.219 92.582 52.263 1 31.39 ? CG PRO 21 A 1 +ATOM 128 C CD PRO 21 . . A 1 -4.74 91.285 51.635 1 31.49 ? CD PRO 21 A 1 +ATOM 129 N N VAL 22 . . A 1 -0.249 91.183 50.261 1 29.82 ? N VAL 22 A 1 +ATOM 130 C CA VAL 22 . . A 1 0.96 90.419 50.471 1 31.13 ? CA VAL 22 A 1 +ATOM 131 C C VAL 22 . . A 1 2.012 91.46 50.498 1 34 ? C VAL 22 A 1 +ATOM 132 O O VAL 22 . . A 1 2.306 92.09 49.498 1 36.68 ? O VAL 22 A 1 +ATOM 133 C CB VAL 22 . . A 1 1.232 89.459 49.316 1 28.17 ? CB VAL 22 A 1 +ATOM 134 C CG1 VAL 22 . . A 1 2.433 88.577 49.605 1 27.98 ? CG1 VAL 22 A 1 +ATOM 135 C CG2 VAL 22 . . A 1 0.011 88.599 49.042 1 33 ? CG2 VAL 22 A 1 +ATOM 136 N N LEU 23 . . A 1 2.605 91.635 51.659 1 35.38 ? N LEU 23 A 1 +ATOM 137 C CA LEU 23 . . A 1 3.623 92.66 51.758 1 37.84 ? CA LEU 23 A 1 +ATOM 138 C C LEU 23 . . A 1 3.003 93.998 51.372 1 43.58 ? C LEU 23 A 1 +ATOM 139 O O LEU 23 . . A 1 2.056 94.464 51.991 1 47.15 ? O LEU 23 A 1 +ATOM 140 C CB LEU 23 . . A 1 4.926 92.342 51.009 1 34.91 ? CB LEU 23 A 1 +ATOM 141 C CG LEU 23 . . A 1 5.762 91.224 51.648 1 37.14 ? CG LEU 23 A 1 +ATOM 142 C CD1 LEU 23 . . A 1 5.306 89.823 51.252 1 37.74 ? CD1 LEU 23 A 1 +ATOM 143 C CD2 LEU 23 . . A 1 7.228 91.372 51.229 1 43.47 ? CD2 LEU 23 A 1 +ATOM 144 N N SER 24 . . A 1 3.546 94.547 50.304 1 45.59 ? N SER 24 A 1 +ATOM 145 C CA SER 24 . . A 1 3.151 95.833 49.783 1 47.78 ? CA SER 24 A 1 +ATOM 146 C C SER 24 . . A 1 2.17 95.764 48.633 1 46.42 ? C SER 24 A 1 +ATOM 147 O O SER 24 . . A 1 1.802 96.789 48.07 1 49.47 ? O SER 24 A 1 +ATOM 148 C CB SER 24 . . A 1 4.454 96.47 49.252 1 53.04 ? CB SER 24 A 1 +ATOM 149 O OG SER 24 . . A 1 5.276 95.514 48.535 1 56.67 ? OG SER 24 A 1 +ATOM 150 N N SER 25 . . A 1 1.764 94.551 48.285 1 43.6 ? N SER 25 A 1 +ATOM 151 C CA SER 25 . . A 1 0.9 94.351 47.149 1 41.55 ? CA SER 25 A 1 +ATOM 152 C C SER 25 . . A 1 -0.283 93.474 47.48 1 39.27 ? C SER 25 A 1 +ATOM 153 O O SER 25 . . A 1 -0.777 93.456 48.602 1 42.44 ? O SER 25 A 1 +ATOM 154 C CB SER 25 . . A 1 1.78 93.725 46.06 1 43.12 ? CB SER 25 A 1 +ATOM 155 O OG SER 25 . . A 1 3.058 94.368 46.008 1 49.23 ? OG SER 25 A 1 +ATOM 156 N N HIS 26 . . A 1 -0.731 92.728 46.465 1 35.32 ? N HIS 26 A 1 +ATOM 157 C CA HIS 26 . . A 1 -1.858 91.841 46.579 1 32.06 ? CA HIS 26 A 1 +ATOM 158 C C HIS 26 . . A 1 -1.588 90.547 45.794 1 29.59 ? C HIS 26 A 1 +ATOM 159 O O HIS 26 . . A 1 -0.578 90.415 45.113 1 31.42 ? O HIS 26 A 1 +ATOM 160 C CB HIS 26 . . A 1 -3.032 92.623 45.99 1 31.02 ? CB HIS 26 A 1 +ATOM 161 N N ILE 27 . . A 1 -2.509 89.6 45.908 1 21.5 ? N ILE 27 A 1 +ATOM 162 C CA ILE 27 . . A 1 -2.427 88.321 45.23 1 20.27 ? CA ILE 27 A 1 +ATOM 163 C C ILE 27 . . A 1 -3.851 87.86 45.203 1 21.51 ? C ILE 27 A 1 +ATOM 164 O O ILE 27 . . A 1 -4.717 88.495 45.793 1 19.8 ? O ILE 27 A 1 +ATOM 165 C CB ILE 27 . . A 1 -1.505 87.378 46.027 1 19.81 ? CB ILE 27 A 1 +ATOM 166 C CG1 ILE 27 . . A 1 -0.111 87.355 45.413 1 25.98 ? CG1 ILE 27 A 1 +ATOM 167 C CG2 ILE 27 . . A 1 -2.007 85.97 46.354 1 21.89 ? CG2 ILE 27 A 1 +ATOM 168 C CD1 ILE 27 . . A 1 0.663 86.04 45.648 1 33.64 ? CD1 ILE 27 A 1 +ATOM 169 N N SER 28 . . A 1 -4.094 86.767 44.51 1 21.19 ? N SER 28 A 1 +ATOM 170 C CA SER 28 . . A 1 -5.439 86.251 44.469 1 25.17 ? CA SER 28 A 1 +ATOM 171 C C SER 28 . . A 1 -5.369 85.028 45.334 1 25.66 ? C SER 28 A 1 +ATOM 172 O O SER 28 . . A 1 -4.345 84.353 45.388 1 30.04 ? O SER 28 A 1 +ATOM 173 C CB SER 28 . . A 1 -5.835 85.861 43.03 1 29.04 ? CB SER 28 A 1 +ATOM 174 O OG SER 28 . . A 1 -5.758 86.989 42.156 1 36.88 ? OG SER 28 A 1 +ATOM 175 N N ALA 29 . . A 1 -6.46 84.718 46.01 1 23.77 ? N ALA 29 A 1 +ATOM 176 C CA ALA 29 . . A 1 -6.46 83.548 46.848 1 21.82 ? CA ALA 29 A 1 +ATOM 177 C C ALA 29 . . A 1 -7.798 82.928 46.654 1 22.7 ? C ALA 29 A 1 +ATOM 178 O O ALA 29 . . A 1 -8.797 83.637 46.615 1 21.72 ? O ALA 29 A 1 +ATOM 179 C CB ALA 29 . . A 1 -6.325 83.972 48.315 1 24.17 ? CB ALA 29 A 1 +ATOM 180 N N PHE 30 . . A 1 -7.788 81.613 46.502 1 22.31 ? N PHE 30 A 1 +ATOM 181 C CA PHE 30 . . A 1 -9.018 80.867 46.33 1 23.55 ? CA PHE 30 A 1 +ATOM 182 C C PHE 30 . . A 1 -8.917 79.88 47.469 1 24.51 ? C PHE 30 A 1 +ATOM 183 O O PHE 30 . . A 1 -8.094 78.969 47.399 1 27.63 ? O PHE 30 A 1 +ATOM 184 C CB PHE 30 . . A 1 -9.061 80.119 44.96 1 25.71 ? CB PHE 30 A 1 +ATOM 185 C CG PHE 30 . . A 1 -9.027 81.019 43.728 1 21.98 ? CG PHE 30 A 1 +ATOM 186 C CD1 PHE 30 . . A 1 -7.797 81.505 43.221 1 18.64 ? CD1 PHE 30 A 1 +ATOM 187 C CD2 PHE 30 . . A 1 -10.233 81.399 43.094 1 19.09 ? CD2 PHE 30 A 1 +ATOM 188 C CE1 PHE 30 . . A 1 -7.779 82.375 42.119 1 16.13 ? CE1 PHE 30 A 1 +ATOM 189 C CE2 PHE 30 . . A 1 -10.221 82.265 41.995 1 12.59 ? CE2 PHE 30 A 1 +ATOM 190 C CZ PHE 30 . . A 1 -8.995 82.757 41.517 1 19.18 ? CZ PHE 30 A 1 +ATOM 191 N N LEU 31 . . A 1 -9.699 80.075 48.528 1 22.04 ? N LEU 31 A 1 +ATOM 192 C CA LEU 31 . . A 1 -9.615 79.16 49.663 1 18.95 ? CA LEU 31 A 1 +ATOM 193 C C LEU 31 . . A 1 -10.854 78.281 49.734 1 20.31 ? C LEU 31 A 1 +ATOM 194 O O LEU 31 . . A 1 -11.951 78.708 49.409 1 22.57 ? O LEU 31 A 1 +ATOM 195 C CB LEU 31 . . A 1 -9.615 79.944 50.992 1 15.9 ? CB LEU 31 A 1 +ATOM 196 C CG LEU 31 . . A 1 -8.438 80.872 51.338 1 10.17 ? CG LEU 31 A 1 +ATOM 197 C CD1 LEU 31 . . A 1 -7.296 80.912 50.334 1 9.79 ? CD1 LEU 31 A 1 +ATOM 198 C CD2 LEU 31 . . A 1 -8.958 82.277 51.614 1 7.92 ? CD2 LEU 31 A 1 +ATOM 199 N N GLY 32 . . A 1 -10.675 77.043 50.189 1 19.63 ? N GLY 32 A 1 +ATOM 200 C CA GLY 32 . . A 1 -11.825 76.159 50.338 1 17.79 ? CA GLY 32 A 1 +ATOM 201 C C GLY 32 . . A 1 -12.485 75.571 49.094 1 17.48 ? C GLY 32 A 1 +ATOM 202 O O GLY 32 . . A 1 -13.682 75.307 49.118 1 19.31 ? O GLY 32 A 1 +ATOM 203 N N ILE 33 . . A 1 -11.741 75.327 47.998 1 16.16 ? N ILE 33 A 1 +ATOM 204 C CA ILE 33 . . A 1 -12.403 74.743 46.822 1 12.47 ? CA ILE 33 A 1 +ATOM 205 C C ILE 33 . . A 1 -12.593 73.236 47.093 1 11.92 ? C ILE 33 A 1 +ATOM 206 O O ILE 33 . . A 1 -11.624 72.549 47.397 1 15.94 ? O ILE 33 A 1 +ATOM 207 C CB ILE 33 . . A 1 -11.539 74.952 45.567 1 9.82 ? CB ILE 33 A 1 +ATOM 208 C CG1 ILE 33 . . A 1 -11.207 76.435 45.302 1 9.7 ? CG1 ILE 33 A 1 +ATOM 209 C CG2 ILE 33 . . A 1 -12.199 74.334 44.332 1 11.4 ? CG2 ILE 33 A 1 +ATOM 210 C CD1 ILE 33 . . A 1 -10.035 76.57 44.319 1 10.55 ? CD1 ILE 33 A 1 +ATOM 211 N N PRO 34 . . A 1 -13.822 72.711 47.015 1 9.19 ? N PRO 34 A 1 +ATOM 212 C CA PRO 34 . . A 1 -14.031 71.303 47.35 1 12.31 ? CA PRO 34 A 1 +ATOM 213 C C PRO 34 . . A 1 -13.398 70.436 46.293 1 13.3 ? C PRO 34 A 1 +ATOM 214 O O PRO 34 . . A 1 -13.393 70.816 45.138 1 18.57 ? O PRO 34 A 1 +ATOM 215 C CB PRO 34 . . A 1 -15.562 71.124 47.334 1 8.07 ? CB PRO 34 A 1 +ATOM 216 C CG PRO 34 . . A 1 -16.099 72.321 46.537 1 5.81 ? CG PRO 34 A 1 +ATOM 217 C CD PRO 34 . . A 1 -15.028 73.419 46.629 1 7.7 ? CD PRO 34 A 1 +ATOM 218 N N PHE 35 . . A 1 -12.895 69.263 46.671 1 14.36 ? N PHE 35 A 1 +ATOM 219 C CA PHE 35 . . A 1 -12.3 68.406 45.655 1 9.91 ? CA PHE 35 A 1 +ATOM 220 C C PHE 35 . . A 1 -12.831 66.998 45.693 1 12.79 ? C PHE 35 A 1 +ATOM 221 O O PHE 35 . . A 1 -12.381 66.173 44.914 1 15.8 ? O PHE 35 A 1 +ATOM 222 C CB PHE 35 . . A 1 -10.776 68.408 45.715 1 11.07 ? CB PHE 35 A 1 +ATOM 223 C CG PHE 35 . . A 1 -10.152 67.808 46.961 1 17.39 ? CG PHE 35 A 1 +ATOM 224 C CD1 PHE 35 . . A 1 -10.133 66.414 47.151 1 16.8 ? CD1 PHE 35 A 1 +ATOM 225 C CD2 PHE 35 . . A 1 -9.518 68.631 47.914 1 19.76 ? CD2 PHE 35 A 1 +ATOM 226 C CE1 PHE 35 . . A 1 -9.469 65.84 48.245 1 18.35 ? CE1 PHE 35 A 1 +ATOM 227 C CE2 PHE 35 . . A 1 -8.852 68.058 49.009 1 19.78 ? CE2 PHE 35 A 1 +ATOM 228 C CZ PHE 35 . . A 1 -8.822 66.664 49.171 1 20.22 ? CZ PHE 35 A 1 +ATOM 229 N N ALA 36 . . A 1 -13.774 66.688 46.592 1 10.85 ? N ALA 36 A 1 +ATOM 230 C CA ALA 36 . . A 1 -14.325 65.34 46.667 1 8.56 ? CA ALA 36 A 1 +ATOM 231 C C ALA 36 . . A 1 -15.632 65.48 47.393 1 12.49 ? C ALA 36 A 1 +ATOM 232 O O ALA 36 . . A 1 -15.897 66.525 47.967 1 18.58 ? O ALA 36 A 1 +ATOM 233 C CB ALA 36 . . A 1 -13.386 64.415 47.425 1 6.98 ? CB ALA 36 A 1 +ATOM 234 N N GLU 37 . . A 1 -16.48 64.461 47.356 1 17.66 ? N GLU 37 A 1 +ATOM 235 C CA GLU 37 . . A 1 -17.76 64.582 48.069 1 21.71 ? CA GLU 37 A 1 +ATOM 236 C C GLU 37 . . A 1 -17.514 64.41 49.571 1 22.94 ? C GLU 37 A 1 +ATOM 237 O O GLU 37 . . A 1 -16.832 63.452 49.918 1 26.27 ? O GLU 37 A 1 +ATOM 238 C CB GLU 37 . . A 1 -18.75 63.467 47.648 1 23.74 ? CB GLU 37 A 1 +ATOM 239 C CG GLU 37 . . A 1 -19.328 63.616 46.228 1 27.33 ? CG GLU 37 A 1 +ATOM 240 C CD GLU 37 . . A 1 -20.406 64.704 46.157 1 31.25 ? CD GLU 37 A 1 +ATOM 241 O OE1 GLU 37 . . A 1 -21.535 64.424 46.561 1 34.04 ? OE1 GLU 37 A 1 +ATOM 242 O OE2 GLU 37 . . A 1 -20.126 65.817 45.704 1 30.36 ? OE2 GLU 37 A 1 +ATOM 243 N N PRO 38 . . A 1 -18.101 65.289 50.436 1 23.11 ? N PRO 38 A 1 +ATOM 244 C CA PRO 38 . . A 1 -17.897 65.221 51.887 1 17.99 ? CA PRO 38 A 1 +ATOM 245 C C PRO 38 . . A 1 -18.053 63.833 52.455 1 17.78 ? C PRO 38 A 1 +ATOM 246 O O PRO 38 . . A 1 -19.148 63.295 52.367 1 23.08 ? O PRO 38 A 1 +ATOM 247 C CB PRO 38 . . A 1 -18.999 66.109 52.467 1 15.25 ? CB PRO 38 A 1 +ATOM 248 C CG PRO 38 . . A 1 -19.381 67.077 51.348 1 21.82 ? CG PRO 38 A 1 +ATOM 249 C CD PRO 38 . . A 1 -19.04 66.343 50.042 1 25.22 ? CD PRO 38 A 1 +ATOM 250 N N PRO 39 . . A 1 -16.988 63.271 53.04 1 14.62 ? N PRO 39 A 1 +ATOM 251 C CA PRO 39 . . A 1 -17.013 61.878 53.449 1 14.68 ? CA PRO 39 A 1 +ATOM 252 C C PRO 39 . . A 1 -17.702 61.743 54.784 1 18.19 ? C PRO 39 A 1 +ATOM 253 O O PRO 39 . . A 1 -17.113 61.328 55.779 1 26.5 ? O PRO 39 A 1 +ATOM 254 C CB PRO 39 . . A 1 -15.525 61.549 53.563 1 12.52 ? CB PRO 39 A 1 +ATOM 255 C CG PRO 39 . . A 1 -14.86 62.88 53.931 1 13.31 ? CG PRO 39 A 1 +ATOM 256 C CD PRO 39 . . A 1 -15.722 63.95 53.278 1 10.24 ? CD PRO 39 A 1 +ATOM 257 N N VAL 40 . . A 1 -18.959 62.123 54.81 1 17.25 ? N VAL 40 A 1 +ATOM 258 C CA VAL 40 . . A 1 -19.699 62.057 56.038 1 17.22 ? CA VAL 40 A 1 +ATOM 259 C C VAL 40 . . A 1 -20.662 60.892 55.947 1 20.33 ? C VAL 40 A 1 +ATOM 260 O O VAL 40 . . A 1 -20.742 60.152 54.976 1 25.8 ? O VAL 40 A 1 +ATOM 261 C CB VAL 40 . . A 1 -20.37 63.44 56.216 1 15.36 ? CB VAL 40 A 1 +ATOM 262 C CG1 VAL 40 . . A 1 -19.347 64.601 56.138 1 6.48 ? CG1 VAL 40 A 1 +ATOM 263 C CG2 VAL 40 . . A 1 -21.509 63.677 55.208 1 18.85 ? CG2 VAL 40 A 1 +ATOM 264 N N GLY 41 . . A 1 -21.42 60.721 57.009 1 24.29 ? N GLY 41 A 1 +ATOM 265 C CA GLY 41 . . A 1 -22.414 59.661 57.013 1 25.93 ? CA GLY 41 A 1 +ATOM 266 C C GLY 41 . . A 1 -21.868 58.298 56.733 1 26.15 ? C GLY 41 A 1 +ATOM 267 O O GLY 41 . . A 1 -20.822 57.901 57.228 1 30.02 ? O GLY 41 A 1 +ATOM 268 N N ASN 42 . . A 1 -22.623 57.602 55.878 1 28.14 ? N ASN 42 A 1 +ATOM 269 C CA ASN 42 . . A 1 -22.273 56.252 55.477 1 31.52 ? CA ASN 42 A 1 +ATOM 270 C C ASN 42 . . A 1 -20.982 56.182 54.642 1 32.76 ? C ASN 42 A 1 +ATOM 271 O O ASN 42 . . A 1 -20.514 55.113 54.276 1 31.62 ? O ASN 42 A 1 +ATOM 272 C CB ASN 42 . . A 1 -23.492 55.583 54.843 1 29.49 ? CB ASN 42 A 1 +ATOM 273 N N MET 43 . . A 1 -20.39 57.351 54.357 1 33.93 ? N MET 43 A 1 +ATOM 274 C CA MET 43 . . A 1 -19.153 57.405 53.59 1 34.65 ? CA MET 43 A 1 +ATOM 275 C C MET 43 . . A 1 -17.935 57.446 54.473 1 33.26 ? C MET 43 A 1 +ATOM 276 O O MET 43 . . A 1 -16.805 57.433 53.997 1 34.27 ? O MET 43 A 1 +ATOM 277 C CB MET 43 . . A 1 -19.165 58.63 52.682 1 37.67 ? CB MET 43 A 1 +ATOM 278 C CG MET 43 . . A 1 -20.371 58.55 51.737 1 40.13 ? CG MET 43 A 1 +ATOM 279 S SD MET 43 . . A 1 -19.833 59.076 50.095 1 47.63 ? SD MET 43 A 1 +ATOM 280 C CE MET 43 . . A 1 -19.69 60.877 50.378 1 44.23 ? CE MET 43 A 1 +ATOM 281 N N ARG 44 . . A 1 -18.166 57.528 55.783 1 30.06 ? N ARG 44 A 1 +ATOM 282 C CA ARG 44 . . A 1 -17.026 57.556 56.677 1 26.22 ? CA ARG 44 A 1 +ATOM 283 C C ARG 44 . . A 1 -16.2 56.29 56.45 1 23.34 ? C ARG 44 A 1 +ATOM 284 O O ARG 44 . . A 1 -16.777 55.227 56.309 1 17.04 ? O ARG 44 A 1 +ATOM 285 C CB ARG 44 . . A 1 -17.503 57.608 58.154 1 26.73 ? CB ARG 44 A 1 +ATOM 286 C CG ARG 44 . . A 1 -16.35 57.879 59.143 1 24.95 ? CG ARG 44 A 1 +ATOM 287 C CD ARG 44 . . A 1 -16.741 57.776 60.605 1 19.41 ? CD ARG 44 A 1 +ATOM 288 N NE ARG 44 . . A 1 -17.507 58.934 61.005 1 20.92 ? NE ARG 44 A 1 +ATOM 289 C CZ ARG 44 . . A 1 -18.057 58.982 62.228 1 25.75 ? CZ ARG 44 A 1 +ATOM 290 N NH1 ARG 44 . . A 1 -17.995 57.949 63.063 1 20.03 ? NH1 ARG 44 A 1 +ATOM 291 N NH2 ARG 44 . . A 1 -18.688 60.079 62.62 1 28.74 ? NH2 ARG 44 A 1 +ATOM 292 N N PHE 45 . . A 1 -14.874 56.43 56.432 1 22.58 ? N PHE 45 A 1 +ATOM 293 C CA PHE 45 . . A 1 -13.973 55.303 56.241 1 24.6 ? CA PHE 45 A 1 +ATOM 294 C C PHE 45 . . A 1 -13.869 54.856 54.801 1 26.95 ? C PHE 45 A 1 +ATOM 295 O O PHE 45 . . A 1 -12.971 54.09 54.462 1 32.12 ? O PHE 45 A 1 +ATOM 296 C CB PHE 45 . . A 1 -14.279 54.062 57.117 1 24.86 ? CB PHE 45 A 1 +ATOM 297 C CG PHE 45 . . A 1 -14.422 54.432 58.584 1 31.63 ? CG PHE 45 A 1 +ATOM 298 C CD1 PHE 45 . . A 1 -13.381 55.119 59.26 1 29.49 ? CD1 PHE 45 A 1 +ATOM 299 C CD2 PHE 45 . . A 1 -15.605 54.12 59.289 1 29.74 ? CD2 PHE 45 A 1 +ATOM 300 C CE1 PHE 45 . . A 1 -13.531 55.5 60.597 1 26.98 ? CE1 PHE 45 A 1 +ATOM 301 C CE2 PHE 45 . . A 1 -15.744 54.5 60.63 1 28.3 ? CE2 PHE 45 A 1 +ATOM 302 C CZ PHE 45 . . A 1 -14.716 55.196 61.278 1 26.58 ? CZ PHE 45 A 1 +ATOM 303 N N ARG 46 . . A 1 -14.77 55.33 53.947 1 26.89 ? N ARG 46 A 1 +ATOM 304 C CA ARG 46 . . A 1 -14.704 54.881 52.56 1 25.38 ? CA ARG 46 A 1 +ATOM 305 C C ARG 46 . . A 1 -13.835 55.815 51.756 1 22.97 ? C ARG 46 A 1 +ATOM 306 O O ARG 46 . . A 1 -13.538 56.937 52.136 1 19.69 ? O ARG 46 A 1 +ATOM 307 C CB ARG 46 . . A 1 -16.095 54.907 51.956 1 30.17 ? CB ARG 46 A 1 +ATOM 308 C CG ARG 46 . . A 1 -16.952 53.785 52.545 1 36.6 ? CG ARG 46 A 1 +ATOM 309 C CD ARG 46 . . A 1 -18.289 53.639 51.817 1 45.15 ? CD ARG 46 A 1 +ATOM 310 N NE ARG 46 . . A 1 -18.359 52.39 51.078 1 50.41 ? NE ARG 46 A 1 +ATOM 311 N N ARG 47 . . A 1 -13.446 55.274 50.622 1 17.96 ? N ARG 47 A 1 +ATOM 312 C CA ARG 47 . . A 1 -12.572 56.029 49.722 1 13.93 ? CA ARG 47 A 1 +ATOM 313 C C ARG 47 . . A 1 -13.318 57.269 49.231 1 10.14 ? C ARG 47 A 1 +ATOM 314 O O ARG 47 . . A 1 -14.526 57.161 49.107 1 14.08 ? O ARG 47 A 1 +ATOM 315 C CB ARG 47 . . A 1 -12.068 55.222 48.516 1 16.88 ? CB ARG 47 A 1 +ATOM 316 C CG ARG 47 . . A 1 -12.371 53.729 48.484 1 22.12 ? CG ARG 47 A 1 +ATOM 317 C CD ARG 47 . . A 1 -11.133 52.923 47.979 1 23.05 ? CD ARG 47 A 1 +ATOM 318 N NE ARG 47 . . A 1 -11.447 51.504 47.852 0.06 15.19 ? NE ARG 47 A 1 +ATOM 319 C CZ ARG 47 . . A 1 -10.463 50.635 47.534 0.06 12.62 ? CZ ARG 47 A 1 +ATOM 320 N NH1 ARG 47 . . A 1 -9.186 50.983 47.289 0.06 11.23 ? NH1 ARG 47 A 1 +ATOM 321 N NH2 ARG 47 . . A 1 -10.897 49.352 47.483 0.06 10.41 ? NH2 ARG 47 A 1 +ATOM 322 N N PRO 48 . . A 1 -12.618 58.367 48.935 1 6.34 ? N PRO 48 A 1 +ATOM 323 C CA PRO 48 . . A 1 -13.323 59.597 48.534 1 11.93 ? CA PRO 48 A 1 +ATOM 324 C C PRO 48 . . A 1 -13.937 59.577 47.126 1 16.79 ? C PRO 48 A 1 +ATOM 325 O O PRO 48 . . A 1 -13.374 59.012 46.195 1 17.1 ? O PRO 48 A 1 +ATOM 326 C CB PRO 48 . . A 1 -12.224 60.664 48.594 1 8.51 ? CB PRO 48 A 1 +ATOM 327 C CG PRO 48 . . A 1 -10.92 59.881 48.407 1 8.25 ? CG PRO 48 A 1 +ATOM 328 C CD PRO 48 . . A 1 -11.171 58.513 49.037 1 5.71 ? CD PRO 48 A 1 +ATOM 329 N N GLU 49 . . A 1 -15.109 60.234 46.973 1 20.27 ? N GLU 49 A 1 +ATOM 330 C CA GLU 49 . . A 1 -15.726 60.303 45.642 1 20.95 ? CA GLU 49 A 1 +ATOM 331 C C GLU 49 . . A 1 -15.296 61.616 45.036 1 20.57 ? C GLU 49 A 1 +ATOM 332 O O GLU 49 . . A 1 -15.185 62.573 45.792 1 21.43 ? O GLU 49 A 1 +ATOM 333 C CB GLU 49 . . A 1 -17.264 60.383 45.663 1 27.74 ? CB GLU 49 A 1 +ATOM 334 C CG GLU 49 . . A 1 -17.958 59.115 46.176 1 37.97 ? CG GLU 49 A 1 +ATOM 335 C CD GLU 49 . . A 1 -19.473 59.23 46.012 1 42.75 ? CD GLU 49 A 1 +ATOM 336 O OE1 GLU 49 . . A 1 -20.03 60.296 46.295 1 47.09 ? OE1 GLU 49 A 1 +ATOM 337 O OE2 GLU 49 . . A 1 -20.092 58.25 45.598 1 49.76 ? OE2 GLU 49 A 1 +ATOM 338 N N PRO 50 . . A 1 -15.143 61.696 43.692 1 19.49 ? N PRO 50 A 1 +ATOM 339 C CA PRO 50 . . A 1 -14.871 62.976 43.054 1 17.83 ? CA PRO 50 A 1 +ATOM 340 C C PRO 50 . . A 1 -16.095 63.827 43.265 1 22.18 ? C PRO 50 A 1 +ATOM 341 O O PRO 50 . . A 1 -17.208 63.309 43.296 1 26.65 ? O PRO 50 A 1 +ATOM 342 C CB PRO 50 . . A 1 -14.564 62.647 41.609 1 18.41 ? CB PRO 50 A 1 +ATOM 343 C CG PRO 50 . . A 1 -14.684 61.118 41.449 1 22.2 ? CG PRO 50 A 1 +ATOM 344 C CD PRO 50 . . A 1 -15.207 60.57 42.775 1 20.22 ? CD PRO 50 A 1 +ATOM 345 N N LYS 51 . . A 1 -15.878 65.129 43.433 1 24.77 ? N LYS 51 A 1 +ATOM 346 C CA LYS 51 . . A 1 -17.011 65.994 43.725 1 29.54 ? CA LYS 51 A 1 +ATOM 347 C C LYS 51 . . A 1 -17.92 66.304 42.558 1 33.14 ? C LYS 51 A 1 +ATOM 348 O O LYS 51 . . A 1 -17.46 66.654 41.482 1 36.22 ? O LYS 51 A 1 +ATOM 349 C CB LYS 51 . . A 1 -16.494 67.315 44.305 1 30.84 ? CB LYS 51 A 1 +ATOM 350 C CG LYS 51 . . A 1 -17.438 67.93 45.35 1 29.1 ? CG LYS 51 A 1 +ATOM 351 C CD LYS 51 . . A 1 -17.954 69.297 44.917 1 32.33 ? CD LYS 51 A 1 +ATOM 352 C CE LYS 51 . . A 1 -18.78 70.023 45.989 1 37.69 ? CE LYS 51 A 1 +ATOM 353 N NZ LYS 51 . . A 1 -19.987 69.282 46.342 1 44.09 ? NZ LYS 51 A 1 +ATOM 354 N N LYS 52 . . A 1 -19.237 66.214 42.814 1 33.86 ? N LYS 52 A 1 +ATOM 355 C CA LYS 52 . . A 1 -20.193 66.535 41.757 1 34.64 ? CA LYS 52 A 1 +ATOM 356 C C LYS 52 . . A 1 -20.045 68.015 41.406 1 34.51 ? C LYS 52 A 1 +ATOM 357 O O LYS 52 . . A 1 -19.902 68.825 42.311 1 32.61 ? O LYS 52 A 1 +ATOM 358 C CB LYS 52 . . A 1 -21.631 66.295 42.23 1 38.77 ? CB LYS 52 A 1 +ATOM 359 C CG LYS 52 . . A 1 -21.923 64.811 42.475 1 43.55 ? CG LYS 52 A 1 +ATOM 360 C CD LYS 52 . . A 1 -23.163 64.61 43.356 1 47.58 ? CD LYS 52 A 1 +ATOM 361 C CE LYS 52 . . A 1 -23.393 63.127 43.7 1 52.94 ? CE LYS 52 A 1 +ATOM 362 N NZ LYS 52 . . A 1 -24.124 62.998 44.953 1 56.7 ? NZ LYS 52 A 1 +ATOM 363 N N PRO 53 . . A 1 -20.056 68.371 40.105 1 35.14 ? N PRO 53 A 1 +ATOM 364 C CA PRO 53 . . A 1 -19.88 69.766 39.752 1 35.65 ? CA PRO 53 A 1 +ATOM 365 C C PRO 53 . . A 1 -20.983 70.593 40.35 1 36.92 ? C PRO 53 A 1 +ATOM 366 O O PRO 53 . . A 1 -22.042 70.101 40.731 1 37.97 ? O PRO 53 A 1 +ATOM 367 C CB PRO 53 . . A 1 -19.919 69.766 38.22 1 34.28 ? CB PRO 53 A 1 +ATOM 368 C CG PRO 53 . . A 1 -19.604 68.327 37.802 1 32.67 ? CG PRO 53 A 1 +ATOM 369 C CD PRO 53 . . A 1 -20.125 67.473 38.956 1 33.93 ? CD PRO 53 A 1 +ATOM 370 N N TRP 54 . . A 1 -20.715 71.881 40.395 1 37.83 ? N TRP 54 A 1 +ATOM 371 C CA TRP 54 . . A 1 -21.704 72.773 40.948 1 37.84 ? CA TRP 54 A 1 +ATOM 372 C C TRP 54 . . A 1 -22.015 73.853 39.924 1 41.97 ? C TRP 54 A 1 +ATOM 373 O O TRP 54 . . A 1 -21.31 74.126 38.951 1 41.63 ? O TRP 54 A 1 +ATOM 374 C CB TRP 54 . . A 1 -21.223 73.316 42.315 1 30.12 ? CB TRP 54 A 1 +ATOM 375 C CG TRP 54 . . A 1 -19.918 74.055 42.16 1 17.64 ? CG TRP 54 A 1 +ATOM 376 C CD1 TRP 54 . . A 1 -19.78 75.404 41.755 1 17.68 ? CD1 TRP 54 A 1 +ATOM 377 C CD2 TRP 54 . . A 1 -18.631 73.527 42.308 1 15.11 ? CD2 TRP 54 A 1 +ATOM 378 N NE1 TRP 54 . . A 1 -18.473 75.731 41.635 1 18.46 ? NE1 TRP 54 A 1 +ATOM 379 C CE2 TRP 54 . . A 1 -17.707 74.634 41.955 1 16.29 ? CE2 TRP 54 A 1 +ATOM 380 C CE3 TRP 54 . . A 1 -18.123 72.274 42.655 1 9.58 ? CE3 TRP 54 A 1 +ATOM 381 C CZ2 TRP 54 . . A 1 -16.324 74.409 41.983 1 12.62 ? CZ2 TRP 54 A 1 +ATOM 382 C CZ3 TRP 54 . . A 1 -16.732 72.09 42.666 1 8.82 ? CZ3 TRP 54 A 1 +ATOM 383 C CH2 TRP 54 . . A 1 -15.847 73.138 42.342 1 11.55 ? CH2 TRP 54 A 1 +ATOM 384 N N SER 55 . . A 1 -23.157 74.468 40.195 1 46.06 ? N SER 55 A 1 +ATOM 385 C CA SER 55 . . A 1 -23.649 75.549 39.372 1 48.87 ? CA SER 55 A 1 +ATOM 386 C C SER 55 . . A 1 -23.364 76.787 40.199 1 47.85 ? C SER 55 A 1 +ATOM 387 O O SER 55 . . A 1 -23.043 76.715 41.382 1 46.18 ? O SER 55 A 1 +ATOM 388 C CB SER 55 . . A 1 -25.153 75.354 39.109 1 51.18 ? CB SER 55 A 1 +ATOM 389 O OG SER 55 . . A 1 -25.787 74.843 40.292 1 58.54 ? OG SER 55 A 1 +ATOM 390 N N GLY 56 . . A 1 -23.508 77.943 39.575 1 46.29 ? N GLY 56 A 1 +ATOM 391 C CA GLY 56 . . A 1 -23.243 79.12 40.376 1 46.52 ? CA GLY 56 A 1 +ATOM 392 C C GLY 56 . . A 1 -21.763 79.303 40.447 1 43.81 ? C GLY 56 A 1 +ATOM 393 O O GLY 56 . . A 1 -21.016 78.78 39.623 1 46.74 ? O GLY 56 A 1 +ATOM 394 N N VAL 57 . . A 1 -21.377 80.089 41.434 1 39.39 ? N VAL 57 A 1 +ATOM 395 C CA VAL 57 . . A 1 -19.994 80.367 41.663 1 35.44 ? CA VAL 57 A 1 +ATOM 396 C C VAL 57 . . A 1 -19.775 79.847 43.07 1 38.08 ? C VAL 57 A 1 +ATOM 397 O O VAL 57 . . A 1 -20.596 80.025 43.964 1 37.4 ? O VAL 57 A 1 +ATOM 398 C CB VAL 57 . . A 1 -19.733 81.891 41.571 1 29.31 ? CB VAL 57 A 1 +ATOM 399 C CG1 VAL 57 . . A 1 -18.822 82.249 40.414 1 29.88 ? CG1 VAL 57 A 1 +ATOM 400 C CG2 VAL 57 . . A 1 -21.016 82.725 41.454 1 35.24 ? CG2 VAL 57 A 1 +ATOM 401 N N TRP 58 . . A 1 -18.641 79.18 43.258 1 38.8 ? N TRP 58 A 1 +ATOM 402 C CA TRP 58 . . A 1 -18.314 78.692 44.572 1 34.49 ? CA TRP 58 A 1 +ATOM 403 C C TRP 58 . . A 1 -17.604 79.887 45.168 1 35.37 ? C TRP 58 A 1 +ATOM 404 O O TRP 58 . . A 1 -16.763 80.508 44.513 1 36.57 ? O TRP 58 A 1 +ATOM 405 C CB TRP 58 . . A 1 -17.32 77.542 44.483 1 32.34 ? CB TRP 58 A 1 +ATOM 406 C CG TRP 58 . . A 1 -17.216 76.872 45.822 1 33.36 ? CG TRP 58 A 1 +ATOM 407 C CD1 TRP 58 . . A 1 -16.307 77.208 46.851 1 30.36 ? CD1 TRP 58 A 1 +ATOM 408 C CD2 TRP 58 . . A 1 -18.023 75.828 46.28 1 30.42 ? CD2 TRP 58 A 1 +ATOM 409 N NE1 TRP 58 . . A 1 -16.53 76.417 47.92 1 30.04 ? NE1 TRP 58 A 1 +ATOM 410 C CE2 TRP 58 . . A 1 -17.56 75.553 47.647 1 28.9 ? CE2 TRP 58 A 1 +ATOM 411 C CE3 TRP 58 . . A 1 -19.06 75.079 45.722 1 32.78 ? CE3 TRP 58 A 1 +ATOM 412 C CZ2 TRP 58 . . A 1 -18.195 74.553 48.389 1 30.89 ? CZ2 TRP 58 A 1 +ATOM 413 C CZ3 TRP 58 . . A 1 -19.668 74.071 46.487 1 34.22 ? CZ3 TRP 58 A 1 +ATOM 414 C CH2 TRP 58 . . A 1 -19.244 73.819 47.804 1 35.78 ? CH2 TRP 58 A 1 +ATOM 415 N N ASN 59 . . A 1 -17.961 80.227 46.395 1 34.61 ? N ASN 59 A 1 +ATOM 416 C CA ASN 59 . . A 1 -17.306 81.37 47.007 1 32.65 ? CA ASN 59 A 1 +ATOM 417 C C ASN 59 . . A 1 -16.065 80.811 47.645 1 30.32 ? C ASN 59 A 1 +ATOM 418 O O ASN 59 . . A 1 -16.183 79.977 48.525 1 33.22 ? O ASN 59 A 1 +ATOM 419 C CB ASN 59 . . A 1 -18.226 81.979 48.075 1 37.84 ? CB ASN 59 A 1 +ATOM 420 C CG ASN 59 . . A 1 -17.671 83.293 48.596 1 42.52 ? CG ASN 59 A 1 +ATOM 421 O OD1 ASN 59 . . A 1 -17.007 83.365 49.615 1 47.22 ? OD1 ASN 59 A 1 +ATOM 422 N ND2 ASN 59 . . A 1 -17.927 84.356 47.842 1 44.27 ? ND2 ASN 59 A 1 +ATOM 423 N N ALA 60 . . A 1 -14.896 81.244 47.205 1 24.99 ? N ALA 60 A 1 +ATOM 424 C CA ALA 60 . . A 1 -13.669 80.73 47.765 1 23.98 ? CA ALA 60 A 1 +ATOM 425 C C ALA 60 . . A 1 -12.939 81.819 48.482 1 27.18 ? C ALA 60 A 1 +ATOM 426 O O ALA 60 . . A 1 -11.769 82.062 48.199 1 27.44 ? O ALA 60 A 1 +ATOM 427 C CB ALA 60 . . A 1 -12.767 80.191 46.652 1 26.41 ? CB ALA 60 A 1 +ATOM 428 N N SER 61 . . A 1 -13.642 82.467 49.421 1 31.48 ? N SER 61 A 1 +ATOM 429 C CA SER 61 . . A 1 -13.04 83.578 50.173 1 32.86 ? CA SER 61 A 1 +ATOM 430 C C SER 61 . . A 1 -12.625 83.304 51.622 1 34.53 ? C SER 61 A 1 +ATOM 431 O O SER 61 . . A 1 -12.053 84.157 52.298 1 36.5 ? O SER 61 A 1 +ATOM 432 C CB SER 61 . . A 1 -14.065 84.73 50.228 1 31.96 ? CB SER 61 A 1 +ATOM 433 O OG SER 61 . . A 1 -14.657 84.951 48.941 1 38.85 ? OG SER 61 A 1 +ATOM 434 N N THR 62 . . A 1 -12.931 82.118 52.137 1 33.87 ? N THR 62 A 1 +ATOM 435 C CA THR 62 . . A 1 -12.587 81.857 53.529 1 30.62 ? CA THR 62 A 1 +ATOM 436 C C THR 62 . . A 1 -11.978 80.477 53.615 1 28.79 ? C THR 62 A 1 +ATOM 437 O O THR 62 . . A 1 -12.095 79.707 52.675 1 32.61 ? O THR 62 A 1 +ATOM 438 C CB THR 62 . . A 1 -13.883 82.017 54.348 1 31.32 ? CB THR 62 A 1 +ATOM 439 O OG1 THR 62 . . A 1 -14.976 81.404 53.663 1 29.68 ? OG1 THR 62 A 1 +ATOM 440 C CG2 THR 62 . . A 1 -14.286 83.49 54.576 1 31.03 ? CG2 THR 62 A 1 +ATOM 441 N N TYR 63 . . A 1 -11.3 80.174 54.729 1 25.93 ? N TYR 63 A 1 +ATOM 442 C CA TYR 63 . . A 1 -10.717 78.836 54.813 1 19.78 ? CA TYR 63 A 1 +ATOM 443 C C TYR 63 . . A 1 -11.796 77.818 55.072 1 18.69 ? C TYR 63 A 1 +ATOM 444 O O TYR 63 . . A 1 -12.836 78.14 55.619 1 18.46 ? O TYR 63 A 1 +ATOM 445 C CB TYR 63 . . A 1 -9.722 78.71 55.951 1 15.15 ? CB TYR 63 A 1 +ATOM 446 C CG TYR 63 . . A 1 -8.453 79.424 55.622 1 15.43 ? CG TYR 63 A 1 +ATOM 447 C CD1 TYR 63 . . A 1 -7.489 78.794 54.827 1 15.81 ? CD1 TYR 63 A 1 +ATOM 448 C CD2 TYR 63 . . A 1 -8.225 80.72 56.109 1 17.62 ? CD2 TYR 63 A 1 +ATOM 449 C CE1 TYR 63 . . A 1 -6.285 79.443 54.537 1 19.43 ? CE1 TYR 63 A 1 +ATOM 450 C CE2 TYR 63 . . A 1 -7.024 81.375 55.809 1 20.65 ? CE2 TYR 63 A 1 +ATOM 451 C CZ TYR 63 . . A 1 -6.048 80.737 55.025 1 19.7 ? CZ TYR 63 A 1 +ATOM 452 O OH TYR 63 . . A 1 -4.857 81.38 54.735 1 24.19 ? OH TYR 63 A 1 +ATOM 453 N N PRO 64 . . A 1 -11.522 76.573 54.693 1 19.06 ? N PRO 64 A 1 +ATOM 454 C CA PRO 64 . . A 1 -12.468 75.517 55.001 1 20.68 ? CA PRO 64 A 1 +ATOM 455 C C PRO 64 . . A 1 -12.327 75.036 56.444 1 18.38 ? C PRO 64 A 1 +ATOM 456 O O PRO 64 . . A 1 -11.485 75.45 57.224 1 17.54 ? O PRO 64 A 1 +ATOM 457 C CB PRO 64 . . A 1 -12.081 74.422 53.982 1 22.54 ? CB PRO 64 A 1 +ATOM 458 C CG PRO 64 . . A 1 -10.591 74.661 53.665 1 21.58 ? CG PRO 64 A 1 +ATOM 459 C CD PRO 64 . . A 1 -10.386 76.162 53.866 1 19.54 ? CD PRO 64 A 1 +ATOM 460 N N ASN 65 . . A 1 -13.221 74.112 56.766 1 20.56 ? N ASN 65 A 1 +ATOM 461 C CA ASN 65 . . A 1 -13.196 73.527 58.091 1 23.26 ? CA ASN 65 A 1 +ATOM 462 C C ASN 65 . . A 1 -11.989 72.626 58.109 1 22.74 ? C ASN 65 A 1 +ATOM 463 O O ASN 65 . . A 1 -11.47 72.232 57.067 1 23.75 ? O ASN 65 A 1 +ATOM 464 C CB ASN 65 . . A 1 -14.439 72.651 58.366 1 27.73 ? CB ASN 65 A 1 +ATOM 465 C CG ASN 65 . . A 1 -15.731 73.455 58.323 1 36.61 ? CG ASN 65 A 1 +ATOM 466 O OD1 ASN 65 . . A 1 -15.859 74.583 58.789 1 37.06 ? OD1 ASN 65 A 1 +ATOM 467 N ND2 ASN 65 . . A 1 -16.725 72.834 57.702 1 40.45 ? ND2 ASN 65 A 1 +ATOM 468 N N ASN 66 . . A 1 -11.573 72.259 59.314 1 21.64 ? N ASN 66 A 1 +ATOM 469 C CA ASN 66 . . A 1 -10.423 71.387 59.44 1 16.44 ? CA ASN 66 A 1 +ATOM 470 C C ASN 66 . . A 1 -10.979 70.013 59.711 1 16.55 ? C ASN 66 A 1 +ATOM 471 O O ASN 66 . . A 1 -12.11 69.833 60.146 1 14.3 ? O ASN 66 A 1 +ATOM 472 C CB ASN 66 . . A 1 -9.482 71.882 60.547 1 16.96 ? CB ASN 66 A 1 +ATOM 473 C CG ASN 66 . . A 1 -8.813 73.191 60.115 1 18.49 ? CG ASN 66 A 1 +ATOM 474 O OD1 ASN 66 . . A 1 -8.817 73.579 58.965 1 26.03 ? OD1 ASN 66 A 1 +ATOM 475 N ND2 ASN 66 . . A 1 -8.183 73.894 61.037 1 16.89 ? ND2 ASN 66 A 1 +ATOM 476 N N CYS 67 . . A 1 -10.185 68.993 59.417 1 17.25 ? N CYS 67 A 1 +ATOM 477 C CA CYS 67 . . A 1 -10.706 67.656 59.682 1 18.57 ? CA CYS 67 A 1 +ATOM 478 C C CYS 67 . . A 1 -10.667 67.45 61.184 1 19.81 ? C CYS 67 A 1 +ATOM 479 O O CYS 67 . . A 1 -9.984 68.203 61.875 1 20.61 ? O CYS 67 A 1 +ATOM 480 C CB CYS 67 . . A 1 -9.863 66.601 58.96 1 17.42 ? CB CYS 67 A 1 +ATOM 481 S SG CYS 67 . . A 1 -9.905 66.802 57.151 1 18.98 ? SG CYS 67 A 1 +ATOM 482 N N GLN 68 . . A 1 -11.393 66.439 61.675 1 17.55 ? N GLN 68 A 1 +ATOM 483 C CA GLN 68 . . A 1 -11.407 66.168 63.091 1 17.18 ? CA GLN 68 A 1 +ATOM 484 C C GLN 68 . . A 1 -10.043 65.664 63.483 1 19.88 ? C GLN 68 A 1 +ATOM 485 O O GLN 68 . . A 1 -9.417 64.953 62.712 1 21.99 ? O GLN 68 A 1 +ATOM 486 C CB GLN 68 . . A 1 -12.416 65.039 63.353 1 15.22 ? CB GLN 68 A 1 +ATOM 487 C CG GLN 68 . . A 1 -13.847 65.325 62.915 1 18.79 ? CG GLN 68 A 1 +ATOM 488 C CD GLN 68 . . A 1 -14.639 66.144 63.915 1 21.79 ? CD GLN 68 A 1 +ATOM 489 O OE1 GLN 68 . . A 1 -15.813 65.936 64.118 1 25.17 ? OE1 GLN 68 A 1 +ATOM 490 N NE2 GLN 68 . . A 1 -14.006 67.092 64.571 1 21.53 ? NE2 GLN 68 A 1 +ATOM 491 N N GLN 69 . . A 1 -9.585 66.025 64.673 1 20.12 ? N GLN 69 A 1 +ATOM 492 C CA GLN 69 . . A 1 -8.279 65.555 65.08 1 18.14 ? CA GLN 69 A 1 +ATOM 493 C C GLN 69 . . A 1 -8.147 65.827 66.551 1 17.2 ? C GLN 69 A 1 +ATOM 494 O O GLN 69 . . A 1 -9.001 66.466 67.156 1 19.15 ? O GLN 69 A 1 +ATOM 495 C CB GLN 69 . . A 1 -7.197 66.296 64.294 1 13.21 ? CB GLN 69 A 1 +ATOM 496 C CG GLN 69 . . A 1 -7.408 67.813 64.392 1 13.01 ? CG GLN 69 A 1 +ATOM 497 C CD GLN 69 . . A 1 -6.498 68.483 63.423 1 16.68 ? CD GLN 69 A 1 +ATOM 498 O OE1 GLN 69 . . A 1 -5.318 68.723 63.68 1 11.84 ? OE1 GLN 69 A 1 +ATOM 499 N NE2 GLN 69 . . A 1 -7.09 68.699 62.256 1 13.06 ? NE2 GLN 69 A 1 +ATOM 500 N N TYR 70 . . A 1 -7.044 65.343 67.113 1 14.49 ? N TYR 70 A 1 +ATOM 501 C CA TYR 70 . . A 1 -6.79 65.538 68.513 1 12.98 ? CA TYR 70 A 1 +ATOM 502 C C TYR 70 . . A 1 -6.205 66.938 68.694 1 15.14 ? C TYR 70 A 1 +ATOM 503 O O TYR 70 . . A 1 -5.191 67.281 68.101 1 14.54 ? O TYR 70 A 1 +ATOM 504 C CB TYR 70 . . A 1 -5.84 64.438 68.969 1 12.17 ? CB TYR 70 A 1 +ATOM 505 C CG TYR 70 . . A 1 -5.233 64.737 70.316 1 23.88 ? CG TYR 70 A 1 +ATOM 506 C CD1 TYR 70 . . A 1 -5.991 64.599 71.488 1 25.6 ? CD1 TYR 70 A 1 +ATOM 507 C CD2 TYR 70 . . A 1 -3.895 65.176 70.399 1 30.1 ? CD2 TYR 70 A 1 +ATOM 508 C CE1 TYR 70 . . A 1 -5.41 64.871 72.737 1 33.68 ? CE1 TYR 70 A 1 +ATOM 509 C CE2 TYR 70 . . A 1 -3.309 65.448 71.647 1 34.94 ? CE2 TYR 70 A 1 +ATOM 510 C CZ TYR 70 . . A 1 -4.068 65.298 72.822 1 37.28 ? CZ TYR 70 A 1 +ATOM 511 O OH TYR 70 . . A 1 -3.512 65.59 74.064 1 42.92 ? OH TYR 70 A 1 +ATOM 512 N N VAL 71 . . A 1 -6.861 67.738 69.544 1 15.09 ? N VAL 71 A 1 +ATOM 513 C CA VAL 71 . . A 1 -6.376 69.079 69.781 1 17.72 ? CA VAL 71 A 1 +ATOM 514 C C VAL 71 . . A 1 -5.276 68.956 70.821 1 20.76 ? C VAL 71 A 1 +ATOM 515 O O VAL 71 . . A 1 -5.424 68.232 71.802 1 23.36 ? O VAL 71 A 1 +ATOM 516 C CB VAL 71 . . A 1 -7.523 69.971 70.266 1 13.32 ? CB VAL 71 A 1 +ATOM 517 C CG1 VAL 71 . . A 1 -7.165 71.45 70.135 1 14.34 ? CG1 VAL 71 A 1 +ATOM 518 C CG2 VAL 71 . . A 1 -8.824 69.702 69.504 1 20.84 ? CG2 VAL 71 A 1 +ATOM 519 N N ASP 72 . . A 1 -4.183 69.698 70.626 1 20.45 ? N ASP 72 A 1 +ATOM 520 C CA ASP 72 . . A 1 -3.127 69.544 71.594 1 21.84 ? CA ASP 72 A 1 +ATOM 521 C C ASP 72 . . A 1 -3.302 70.556 72.658 1 26.3 ? C ASP 72 A 1 +ATOM 522 O O ASP 72 . . A 1 -3.206 71.743 72.396 1 30.97 ? O ASP 72 A 1 +ATOM 523 C CB ASP 72 . . A 1 -1.754 69.806 70.955 1 20.11 ? CB ASP 72 A 1 +ATOM 524 C CG ASP 72 . . A 1 -0.569 69.712 71.938 1 16.69 ? CG ASP 72 A 1 +ATOM 525 O OD1 ASP 72 . . A 1 -0.73 69.182 73.035 1 14.3 ? OD1 ASP 72 A 1 +ATOM 526 O OD2 ASP 72 . . A 1 0.509 70.179 71.599 1 15.91 ? OD2 ASP 72 A 1 +ATOM 527 N N GLU 73 . . A 1 -3.506 70.103 73.893 1 26.74 ? N GLU 73 A 1 +ATOM 528 C CA GLU 73 . . A 1 -3.64 71.101 74.945 1 27.99 ? CA GLU 73 A 1 +ATOM 529 C C GLU 73 . . A 1 -2.727 70.78 76.094 1 27.05 ? C GLU 73 A 1 +ATOM 530 O O GLU 73 . . A 1 -3.059 70.917 77.258 1 29.33 ? O GLU 73 A 1 +ATOM 531 C CB GLU 73 . . A 1 -5.101 71.421 75.302 1 27.16 ? CB GLU 73 A 1 +ATOM 532 C CG GLU 73 . . A 1 -5.977 70.214 75.663 1 24.07 ? CG GLU 73 A 1 +ATOM 533 C CD GLU 73 . . A 1 -7.451 70.568 75.563 1 25.62 ? CD GLU 73 A 1 +ATOM 534 O OE1 GLU 73 . . A 1 -7.784 71.736 75.339 1 26.72 ? OE1 GLU 73 A 1 +ATOM 535 O OE2 GLU 73 . . A 1 -8.264 69.66 75.686 1 28.37 ? OE2 GLU 73 A 1 +ATOM 536 N N GLN 74 . . A 1 -1.517 70.335 75.725 1 24.18 ? N GLN 74 A 1 +ATOM 537 C CA GLN 74 . . A 1 -0.546 70.019 76.766 1 19.75 ? CA GLN 74 A 1 +ATOM 538 C C GLN 74 . . A 1 0.044 71.294 77.338 1 19.07 ? C GLN 74 A 1 +ATOM 539 O O GLN 74 . . A 1 0.621 71.275 78.414 1 27.55 ? O GLN 74 A 1 +ATOM 540 C CB GLN 74 . . A 1 0.568 69.058 76.295 1 17.91 ? CB GLN 74 A 1 +ATOM 541 C CG GLN 74 . . A 1 1.124 68.127 77.404 1 15.27 ? CG GLN 74 A 1 +ATOM 542 C CD GLN 74 . . A 1 1.981 68.819 78.458 1 19.09 ? CD GLN 74 A 1 +ATOM 543 N N PHE 75 . . A 1 -0.054 72.391 76.599 1 16.81 ? N PHE 75 A 1 +ATOM 544 C CA PHE 75 . . A 1 0.473 73.652 77.11 1 14.63 ? CA PHE 75 A 1 +ATOM 545 C C PHE 75 . . A 1 -0.519 74.701 76.67 1 15.75 ? C PHE 75 A 1 +ATOM 546 O O PHE 75 . . A 1 -0.237 75.476 75.759 1 12.66 ? O PHE 75 A 1 +ATOM 547 C CB PHE 75 . . A 1 1.868 73.986 76.534 1 15.63 ? CB PHE 75 A 1 +ATOM 548 C CG PHE 75 . . A 1 2.928 72.957 76.865 1 18.37 ? CG PHE 75 A 1 +ATOM 549 C CD1 PHE 75 . . A 1 3.598 72.994 78.1 1 20.71 ? CD1 PHE 75 A 1 +ATOM 550 C CD2 PHE 75 . . A 1 3.258 71.951 75.946 1 18.7 ? CD2 PHE 75 A 1 +ATOM 551 C CE1 PHE 75 . . A 1 4.584 72.045 78.399 1 19.08 ? CE1 PHE 75 A 1 +ATOM 552 C CE2 PHE 75 . . A 1 4.235 70.996 76.251 1 18.19 ? CE2 PHE 75 A 1 +ATOM 553 C CZ PHE 75 . . A 1 4.903 71.041 77.477 1 17.69 ? CZ PHE 75 A 1 +ATOM 554 N N PRO 76 . . A 1 -1.744 74.678 77.265 1 16.59 ? N PRO 76 A 1 +ATOM 555 C CA PRO 76 . . A 1 -2.817 75.523 76.755 1 14.83 ? CA PRO 76 A 1 +ATOM 556 C C PRO 76 . . A 1 -2.395 76.96 76.723 1 13.89 ? C PRO 76 A 1 +ATOM 557 O O PRO 76 . . A 1 -1.759 77.441 77.645 1 13.58 ? O PRO 76 A 1 +ATOM 558 C CB PRO 76 . . A 1 -3.987 75.306 77.719 1 8.91 ? CB PRO 76 A 1 +ATOM 559 C CG PRO 76 . . A 1 -3.7 73.971 78.406 1 14.56 ? CG PRO 76 A 1 +ATOM 560 C CD PRO 76 . . A 1 -2.166 73.842 78.392 1 16.53 ? CD PRO 76 A 1 +ATOM 561 N N GLY 77 . . A 1 -2.741 77.619 75.619 1 15.94 ? N GLY 77 A 1 +ATOM 562 C CA GLY 77 . . A 1 -2.389 79.024 75.478 1 19.13 ? CA GLY 77 A 1 +ATOM 563 C C GLY 77 . . A 1 -0.983 79.255 74.957 1 20.3 ? C GLY 77 A 1 +ATOM 564 O O GLY 77 . . A 1 -0.685 80.291 74.364 1 21.3 ? O GLY 77 A 1 +ATOM 565 N N PHE 78 . . A 1 -0.109 78.252 75.139 1 15.84 ? N PHE 78 A 1 +ATOM 566 C CA PHE 78 . . A 1 1.246 78.45 74.67 1 12.27 ? CA PHE 78 A 1 +ATOM 567 C C PHE 78 . . A 1 1.308 78.493 73.158 1 14.11 ? C PHE 78 A 1 +ATOM 568 O O PHE 78 . . A 1 0.957 77.528 72.493 1 13.8 ? O PHE 78 A 1 +ATOM 569 C CB PHE 78 . . A 1 2.119 77.307 75.17 1 5.3 ? CB PHE 78 A 1 +ATOM 570 C CG PHE 78 . . A 1 3.577 77.446 74.816 1 2 ? CG PHE 78 A 1 +ATOM 571 C CD1 PHE 78 . . A 1 4.231 78.684 74.89 1 2 ? CD1 PHE 78 A 1 +ATOM 572 C CD2 PHE 78 . . A 1 4.3 76.31 74.427 1 4.23 ? CD2 PHE 78 A 1 +ATOM 573 C CE1 PHE 78 . . A 1 5.597 78.78 74.589 1 4.27 ? CE1 PHE 78 A 1 +ATOM 574 C CE2 PHE 78 . . A 1 5.664 76.406 74.135 1 2 ? CE2 PHE 78 A 1 +ATOM 575 C CZ PHE 78 . . A 1 6.313 77.638 74.221 1 3.02 ? CZ PHE 78 A 1 +ATOM 576 N N SER 79 . . A 1 1.815 79.598 72.611 1 14.75 ? N SER 79 A 1 +ATOM 577 C CA SER 79 . . A 1 1.897 79.7 71.151 1 15.44 ? CA SER 79 A 1 +ATOM 578 C C SER 79 . . A 1 2.697 78.584 70.502 1 14.29 ? C SER 79 A 1 +ATOM 579 O O SER 79 . . A 1 2.311 78.023 69.49 1 16.49 ? O SER 79 A 1 +ATOM 580 C CB SER 79 . . A 1 2.481 81.045 70.71 1 15.68 ? CB SER 79 A 1 +ATOM 581 O OG SER 79 . . A 1 3.691 81.268 71.437 1 27.82 ? OG SER 79 A 1 +ATOM 582 N N GLY 80 . . A 1 3.81 78.235 71.123 1 11.96 ? N GLY 80 A 1 +ATOM 583 C CA GLY 80 . . A 1 4.616 77.182 70.527 1 13.22 ? CA GLY 80 A 1 +ATOM 584 C C GLY 80 . . A 1 3.864 75.898 70.204 1 11.3 ? C GLY 80 A 1 +ATOM 585 O O GLY 80 . . A 1 4.277 75.133 69.351 1 10.75 ? O GLY 80 A 1 +ATOM 586 N N SER 81 . . A 1 2.763 75.636 70.908 1 13.86 ? N SER 81 A 1 +ATOM 587 C CA SER 81 . . A 1 2.028 74.419 70.622 1 18.66 ? CA SER 81 A 1 +ATOM 588 C C SER 81 . . A 1 0.785 74.773 69.848 1 19.99 ? C SER 81 A 1 +ATOM 589 O O SER 81 . . A 1 0.384 74.134 68.881 1 22.67 ? O SER 81 A 1 +ATOM 590 C CB SER 81 . . A 1 1.723 73.612 71.906 1 18.45 ? CB SER 81 A 1 +ATOM 591 O OG SER 81 . . A 1 0.831 74.263 72.818 1 22.06 ? OG SER 81 A 1 +ATOM 592 N N GLU 82 . . A 1 0.18 75.859 70.287 1 22.4 ? N GLU 82 A 1 +ATOM 593 C CA GLU 82 . . A 1 -1.04 76.335 69.685 1 25.67 ? CA GLU 82 A 1 +ATOM 594 C C GLU 82 . . A 1 -0.906 76.617 68.2 1 23.3 ? C GLU 82 A 1 +ATOM 595 O O GLU 82 . . A 1 -1.831 76.37 67.44 1 27.14 ? O GLU 82 A 1 +ATOM 596 C CB GLU 82 . . A 1 -1.532 77.605 70.422 1 32.47 ? CB GLU 82 A 1 +ATOM 597 C CG GLU 82 . . A 1 -1.881 77.416 71.915 1 36.84 ? CG GLU 82 A 1 +ATOM 598 C CD GLU 82 . . A 1 -3.27 76.83 72.117 1 43.72 ? CD GLU 82 A 1 +ATOM 599 O OE1 GLU 82 . . A 1 -3.543 75.763 71.555 1 46.39 ? OE1 GLU 82 A 1 +ATOM 600 O OE2 GLU 82 . . A 1 -4.068 77.443 72.835 1 46.73 ? OE2 GLU 82 A 1 +ATOM 601 N N MET 83 . . A 1 0.248 77.12 67.78 1 18.06 ? N MET 83 A 1 +ATOM 602 C CA MET 83 . . A 1 0.401 77.412 66.36 1 17.25 ? CA MET 83 A 1 +ATOM 603 C C MET 83 . . A 1 0.068 76.234 65.434 1 17.9 ? C MET 83 A 1 +ATOM 604 O O MET 83 . . A 1 -0.217 76.428 64.259 1 21.67 ? O MET 83 A 1 +ATOM 605 C CB MET 83 . . A 1 1.822 77.934 66.058 1 15.6 ? CB MET 83 A 1 +ATOM 606 C CG MET 83 . . A 1 2.927 76.975 66.505 1 19.41 ? CG MET 83 A 1 +ATOM 607 S SD MET 83 . . A 1 4.383 77.143 65.446 1 28.06 ? SD MET 83 A 1 +ATOM 608 C CE MET 83 . . A 1 5.245 78.487 66.29 1 35.21 ? CE MET 83 A 1 +ATOM 609 N N TRP 84 . . A 1 0.122 75.015 65.987 1 13.03 ? N TRP 84 A 1 +ATOM 610 C CA TRP 84 . . A 1 -0.154 73.823 65.211 1 10.68 ? CA TRP 84 A 1 +ATOM 611 C C TRP 84 . . A 1 -1.55 73.249 65.396 1 11.34 ? C TRP 84 A 1 +ATOM 612 O O TRP 84 . . A 1 -1.813 72.168 64.877 1 14.46 ? O TRP 84 A 1 +ATOM 613 C CB TRP 84 . . A 1 0.789 72.67 65.625 1 11.48 ? CB TRP 84 A 1 +ATOM 614 C CG TRP 84 . . A 1 2.245 73.044 65.576 1 11.73 ? CG TRP 84 A 1 +ATOM 615 C CD1 TRP 84 . . A 1 3.028 73.442 66.672 1 10.38 ? CD1 TRP 84 A 1 +ATOM 616 C CD2 TRP 84 . . A 1 3.062 73.098 64.437 1 12.68 ? CD2 TRP 84 A 1 +ATOM 617 N NE1 TRP 84 . . A 1 4.277 73.747 66.266 1 9.3 ? NE1 TRP 84 A 1 +ATOM 618 C CE2 TRP 84 . . A 1 4.378 73.566 64.911 1 12.27 ? CE2 TRP 84 A 1 +ATOM 619 C CE3 TRP 84 . . A 1 2.858 72.867 63.071 1 14.19 ? CE3 TRP 84 A 1 +ATOM 620 C CZ2 TRP 84 . . A 1 5.406 73.766 63.977 1 13.17 ? CZ2 TRP 84 A 1 +ATOM 621 C CZ3 TRP 84 . . A 1 3.909 73.089 62.167 1 12.49 ? CZ3 TRP 84 A 1 +ATOM 622 C CH2 TRP 84 . . A 1 5.167 73.528 62.615 1 12.78 ? CH2 TRP 84 A 1 +ATOM 623 N N ASN 85 . . A 1 -2.439 73.908 66.131 1 11.34 ? N ASN 85 A 1 +ATOM 624 C CA ASN 85 . . A 1 -3.767 73.296 66.338 1 14.49 ? CA ASN 85 A 1 +ATOM 625 C C ASN 85 . . A 1 -4.784 73.834 65.359 1 15.95 ? C ASN 85 A 1 +ATOM 626 O O ASN 85 . . A 1 -4.643 74.972 64.916 1 19.96 ? O ASN 85 A 1 +ATOM 627 C CB ASN 85 . . A 1 -4.309 73.642 67.73 1 19.34 ? CB ASN 85 A 1 +ATOM 628 C CG ASN 85 . . A 1 -3.765 72.718 68.778 1 22.6 ? CG ASN 85 A 1 +ATOM 629 O OD1 ASN 85 . . A 1 -2.968 71.846 68.502 1 26.16 ? OD1 ASN 85 A 1 +ATOM 630 N ND2 ASN 85 . . A 1 -4.202 72.907 70.003 1 26.67 ? ND2 ASN 85 A 1 +ATOM 631 N N PRO 86 . . A 1 -5.85 73.044 65.055 1 10.84 ? N PRO 86 A 1 +ATOM 632 C CA PRO 86 . . A 1 -6.83 73.496 64.089 1 12.43 ? CA PRO 86 A 1 +ATOM 633 C C PRO 86 . . A 1 -7.317 74.875 64.47 1 14.14 ? C PRO 86 A 1 +ATOM 634 O O PRO 86 . . A 1 -7.778 75.053 65.585 1 23.78 ? O PRO 86 A 1 +ATOM 635 C CB PRO 86 . . A 1 -7.953 72.437 64.107 1 8.3 ? CB PRO 86 A 1 +ATOM 636 C CG PRO 86 . . A 1 -7.633 71.487 65.26 1 7.62 ? CG PRO 86 A 1 +ATOM 637 C CD PRO 86 . . A 1 -6.166 71.751 65.639 1 12.16 ? CD PRO 86 A 1 +ATOM 638 N N ASN 87 . . A 1 -7.184 75.827 63.546 1 13.45 ? N ASN 87 A 1 +ATOM 639 C CA ASN 87 . . A 1 -7.612 77.184 63.822 1 11.93 ? CA ASN 87 A 1 +ATOM 640 C C ASN 87 . . A 1 -8.935 77.473 63.171 1 14.55 ? C ASN 87 A 1 +ATOM 641 O O ASN 87 . . A 1 -9.237 78.627 62.907 1 18.89 ? O ASN 87 A 1 +ATOM 642 C CB ASN 87 . . A 1 -6.571 78.188 63.3 1 14.24 ? CB ASN 87 A 1 +ATOM 643 C CG ASN 87 . . A 1 -6.456 78.117 61.801 1 16.61 ? CG ASN 87 A 1 +ATOM 644 O OD1 ASN 87 . . A 1 -6.933 77.187 61.179 1 21.68 ? OD1 ASN 87 A 1 +ATOM 645 N ND2 ASN 87 . . A 1 -5.786 79.091 61.213 1 23.1 ? ND2 ASN 87 A 1 +ATOM 646 N N ARG 88 . . A 1 -9.727 76.438 62.877 1 17.04 ? N ARG 88 A 1 +ATOM 647 C CA ARG 88 . . A 1 -11.026 76.615 62.228 1 16.41 ? CA ARG 88 A 1 +ATOM 648 C C ARG 88 . . A 1 -11.9 75.523 62.793 1 15.6 ? C ARG 88 A 1 +ATOM 649 O O ARG 88 . . A 1 -11.425 74.616 63.461 1 19.57 ? O ARG 88 A 1 +ATOM 650 C CB ARG 88 . . A 1 -10.897 76.429 60.692 1 18.43 ? CB ARG 88 A 1 +ATOM 651 C CG ARG 88 . . A 1 -10.398 77.678 59.953 1 18.59 ? CG ARG 88 A 1 +ATOM 652 C CD ARG 88 . . A 1 -11.553 78.663 59.658 1 25.23 ? CD ARG 88 A 1 +ATOM 653 N NE ARG 88 . . A 1 -11.109 79.955 59.127 1 30.01 ? NE ARG 88 A 1 +ATOM 654 C CZ ARG 88 . . A 1 -10.173 80.693 59.756 1 28.05 ? CZ ARG 88 A 1 +ATOM 655 N N GLU 89 . . A 1 -13.204 75.606 62.516 1 14.4 ? N GLU 89 A 1 +ATOM 656 C CA GLU 89 . . A 1 -14.088 74.573 63.058 1 14.71 ? CA GLU 89 A 1 +ATOM 657 C C GLU 89 . . A 1 -13.716 73.272 62.445 1 12.51 ? C GLU 89 A 1 +ATOM 658 O O GLU 89 . . A 1 -13.467 73.181 61.256 1 15.65 ? O GLU 89 A 1 +ATOM 659 C CB GLU 89 . . A 1 -15.585 74.844 62.744 1 19.87 ? CB GLU 89 A 1 +ATOM 660 C CG GLU 89 . . A 1 -16.649 73.877 63.346 1 26.55 ? CG GLU 89 A 1 +ATOM 661 N N MET 90 . . A 1 -13.654 72.264 63.28 1 12.4 ? N MET 90 A 1 +ATOM 662 C CA MET 90 . . A 1 -13.329 70.979 62.735 1 12.4 ? CA MET 90 A 1 +ATOM 663 C C MET 90 . . A 1 -14.657 70.444 62.245 1 13.29 ? C MET 90 A 1 +ATOM 664 O O MET 90 . . A 1 -15.685 70.875 62.764 1 11.14 ? O MET 90 A 1 +ATOM 665 C CB MET 90 . . A 1 -12.753 70.062 63.817 1 13.61 ? CB MET 90 A 1 +ATOM 666 C CG MET 90 . . A 1 -11.597 70.693 64.597 1 13.67 ? CG MET 90 A 1 +ATOM 667 S SD MET 90 . . A 1 -10.606 69.351 65.317 1 19.43 ? SD MET 90 A 1 +ATOM 668 C CE MET 90 . . A 1 -11.676 68.792 66.655 1 20.51 ? CE MET 90 A 1 +ATOM 669 N N SER 91 . . A 1 -14.617 69.531 61.273 1 13.06 ? N SER 91 A 1 +ATOM 670 C CA SER 91 . . A 1 -15.811 68.921 60.732 1 14.99 ? CA SER 91 A 1 +ATOM 671 C C SER 91 . . A 1 -15.326 67.704 59.97 1 15.19 ? C SER 91 A 1 +ATOM 672 O O SER 91 . . A 1 -14.161 67.604 59.592 1 14.69 ? O SER 91 A 1 +ATOM 673 C CB SER 91 . . A 1 -16.52 69.899 59.763 1 18.9 ? CB SER 91 A 1 +ATOM 674 O OG SER 91 . . A 1 -17.801 69.436 59.296 1 25.45 ? OG SER 91 A 1 +ATOM 675 N N GLU 92 . . A 1 -16.25 66.746 59.745 1 13.93 ? N GLU 92 A 1 +ATOM 676 C CA GLU 92 . . A 1 -15.851 65.579 58.959 1 13.9 ? CA GLU 92 A 1 +ATOM 677 C C GLU 92 . . A 1 -15.772 66.009 57.501 1 18.57 ? C GLU 92 A 1 +ATOM 678 O O GLU 92 . . A 1 -15.003 65.503 56.698 1 20.05 ? O GLU 92 A 1 +ATOM 679 C CB GLU 92 . . A 1 -16.781 64.389 59.12 1 10.43 ? CB GLU 92 A 1 +ATOM 680 C CG GLU 92 . . A 1 -16.496 63.628 60.415 1 12.39 ? CG GLU 92 A 1 +ATOM 681 C CD GLU 92 . . A 1 -17.146 62.256 60.346 1 13.13 ? CD GLU 92 A 1 +ATOM 682 O OE1 GLU 92 . . A 1 -18.335 62.159 60.636 1 10.48 ? OE1 GLU 92 A 1 +ATOM 683 O OE2 GLU 92 . . A 1 -16.46 61.294 59.986 1 16.23 ? OE2 GLU 92 A 1 +ATOM 684 N N ASP 93 . . A 1 -16.625 66.984 57.189 1 17.71 ? N ASP 93 A 1 +ATOM 685 C CA ASP 93 . . A 1 -16.665 67.591 55.878 1 17.64 ? CA ASP 93 A 1 +ATOM 686 C C ASP 93 . . A 1 -15.462 68.539 55.844 1 19.89 ? C ASP 93 A 1 +ATOM 687 O O ASP 93 . . A 1 -15.565 69.715 56.197 1 20.41 ? O ASP 93 A 1 +ATOM 688 C CB ASP 93 . . A 1 -17.978 68.384 55.757 1 17.65 ? CB ASP 93 A 1 +ATOM 689 C CG ASP 93 . . A 1 -18.136 69.104 54.433 1 23.35 ? CG ASP 93 A 1 +ATOM 690 O OD1 ASP 93 . . A 1 -17.123 69.476 53.846 1 22 ? OD1 ASP 93 A 1 +ATOM 691 O OD2 ASP 93 . . A 1 -19.273 69.294 53.993 1 26.9 ? OD2 ASP 93 A 1 +ATOM 692 N N CYS 94 . . A 1 -14.311 68.01 55.427 1 18.5 ? N CYS 94 A 1 +ATOM 693 C CA CYS 94 . . A 1 -13.14 68.872 55.416 1 18.58 ? CA CYS 94 A 1 +ATOM 694 C C CYS 94 . . A 1 -12.241 68.687 54.217 1 20.84 ? C CYS 94 A 1 +ATOM 695 O O CYS 94 . . A 1 -11.129 69.207 54.206 1 24.77 ? O CYS 94 A 1 +ATOM 696 C CB CYS 94 . . A 1 -12.313 68.57 56.663 1 15.68 ? CB CYS 94 A 1 +ATOM 697 S SG CYS 94 . . A 1 -11.885 66.805 56.66 1 8.01 ? SG CYS 94 A 1 +ATOM 698 N N LEU 95 . . A 1 -12.699 67.928 53.211 1 17.6 ? N LEU 95 A 1 +ATOM 699 C CA LEU 95 . . A 1 -11.859 67.746 52.024 1 15.22 ? CA LEU 95 A 1 +ATOM 700 C C LEU 95 . . A 1 -12.026 68.932 51.043 1 13.32 ? C LEU 95 A 1 +ATOM 701 O O LEU 95 . . A 1 -12.969 68.98 50.253 1 14.93 ? O LEU 95 A 1 +ATOM 702 C CB LEU 95 . . A 1 -12.223 66.423 51.337 1 11.27 ? CB LEU 95 A 1 +ATOM 703 C CG LEU 95 . . A 1 -11.924 65.184 52.183 1 9.22 ? CG LEU 95 A 1 +ATOM 704 C CD1 LEU 95 . . A 1 -12.398 63.918 51.459 1 12.24 ? CD1 LEU 95 A 1 +ATOM 705 C CD2 LEU 95 . . A 1 -10.42 65.086 52.473 1 9.44 ? CD2 LEU 95 A 1 +ATOM 706 N N TYR 96 . . A 1 -11.101 69.895 51.13 1 9.45 ? N TYR 96 A 1 +ATOM 707 C CA TYR 96 . . A 1 -11.074 71.093 50.284 1 10.39 ? CA TYR 96 A 1 +ATOM 708 C C TYR 96 . . A 1 -9.627 71.405 50.015 1 9.24 ? C TYR 96 A 1 +ATOM 709 O O TYR 96 . . A 1 -8.755 70.757 50.572 1 11.56 ? O TYR 96 A 1 +ATOM 710 C CB TYR 96 . . A 1 -11.648 72.315 51.011 1 6.27 ? CB TYR 96 A 1 +ATOM 711 C CG TYR 96 . . A 1 -13.088 72.116 51.361 1 12.78 ? CG TYR 96 A 1 +ATOM 712 C CD1 TYR 96 . . A 1 -13.465 71.437 52.529 1 17.73 ? CD1 TYR 96 A 1 +ATOM 713 C CD2 TYR 96 . . A 1 -14.069 72.62 50.511 1 17.02 ? CD2 TYR 96 A 1 +ATOM 714 C CE1 TYR 96 . . A 1 -14.825 71.256 52.837 1 24.42 ? CE1 TYR 96 A 1 +ATOM 715 C CE2 TYR 96 . . A 1 -15.421 72.46 50.809 1 23.71 ? CE2 TYR 96 A 1 +ATOM 716 C CZ TYR 96 . . A 1 -15.807 71.768 51.968 1 25.91 ? CZ TYR 96 A 1 +ATOM 717 O OH TYR 96 . . A 1 -17.15 71.591 52.241 1 30.42 ? OH TYR 96 A 1 +ATOM 718 N N LEU 97 . . A 1 -9.366 72.384 49.156 1 7.65 ? N LEU 97 A 1 +ATOM 719 C CA LEU 97 . . A 1 -7.987 72.753 48.892 1 7.91 ? CA LEU 97 A 1 +ATOM 720 C C LEU 97 . . A 1 -7.95 74.249 48.762 1 9.01 ? C LEU 97 A 1 +ATOM 721 O O LEU 97 . . A 1 -8.992 74.87 48.596 1 10.81 ? O LEU 97 A 1 +ATOM 722 C CB LEU 97 . . A 1 -7.373 71.963 47.728 1 9.23 ? CB LEU 97 A 1 +ATOM 723 C CG LEU 97 . . A 1 -8.126 71.943 46.392 1 6.13 ? CG LEU 97 A 1 +ATOM 724 C CD1 LEU 97 . . A 1 -8.029 73.281 45.657 1 8.91 ? CD1 LEU 97 A 1 +ATOM 725 C CD2 LEU 97 . . A 1 -7.571 70.818 45.512 1 3.47 ? CD2 LEU 97 A 1 +ATOM 726 N N ASN 98 . . A 1 -6.752 74.834 48.859 1 11.33 ? N ASN 98 A 1 +ATOM 727 C CA ASN 98 . . A 1 -6.601 76.3 48.768 1 13.7 ? CA ASN 98 A 1 +ATOM 728 C C ASN 98 . . A 1 -5.518 76.564 47.749 1 16.15 ? C ASN 98 A 1 +ATOM 729 O O ASN 98 . . A 1 -4.615 75.746 47.647 1 20.18 ? O ASN 98 A 1 +ATOM 730 C CB ASN 98 . . A 1 -6.149 76.913 50.122 1 17.58 ? CB ASN 98 A 1 +ATOM 731 C CG ASN 98 . . A 1 -6.964 76.389 51.307 1 18.01 ? CG ASN 98 A 1 +ATOM 732 O OD1 ASN 98 . . A 1 -8.144 76.679 51.485 1 12.42 ? OD1 ASN 98 A 1 +ATOM 733 N ND2 ASN 98 . . A 1 -6.307 75.544 52.103 1 16.23 ? ND2 ASN 98 A 1 +ATOM 734 N N ILE 99 . . A 1 -5.592 77.688 47.031 1 18.79 ? N ILE 99 A 1 +ATOM 735 C CA ILE 99 . . A 1 -4.629 78.04 45.997 1 15.69 ? CA ILE 99 A 1 +ATOM 736 C C ILE 99 . . A 1 -4.294 79.528 46.085 1 12.75 ? C ILE 99 A 1 +ATOM 737 O O ILE 99 . . A 1 -5.196 80.364 46.115 1 12.25 ? O ILE 99 A 1 +ATOM 738 C CB ILE 99 . . A 1 -5.339 77.82 44.625 1 21.08 ? CB ILE 99 A 1 +ATOM 739 C CG1 ILE 99 . . A 1 -6.118 76.476 44.526 1 22.08 ? CG1 ILE 99 A 1 +ATOM 740 C CG2 ILE 99 . . A 1 -4.408 78.076 43.422 1 20.15 ? CG2 ILE 99 A 1 +ATOM 741 C CD1 ILE 99 . . A 1 -6.87 76.28 43.201 1 26.01 ? CD1 ILE 99 A 1 +ATOM 742 N N TRP 100 . . A 1 -3.013 79.861 46.12 1 10.55 ? N TRP 100 A 1 +ATOM 743 C CA TRP 100 . . A 1 -2.637 81.271 46.144 1 17.45 ? CA TRP 100 A 1 +ATOM 744 C C TRP 100 . . A 1 -2.096 81.427 44.763 1 23.25 ? C TRP 100 A 1 +ATOM 745 O O TRP 100 . . A 1 -1.264 80.608 44.366 1 28.28 ? O TRP 100 A 1 +ATOM 746 C CB TRP 100 . . A 1 -1.524 81.61 47.157 1 18.88 ? CB TRP 100 A 1 +ATOM 747 C CG TRP 100 . . A 1 -2.133 81.683 48.538 1 18.39 ? CG TRP 100 A 1 +ATOM 748 C CD1 TRP 100 . . A 1 -2.729 82.828 49.114 1 18.87 ? CD1 TRP 100 A 1 +ATOM 749 C CD2 TRP 100 . . A 1 -2.332 80.619 49.423 1 16.27 ? CD2 TRP 100 A 1 +ATOM 750 N NE1 TRP 100 . . A 1 -3.304 82.509 50.294 1 20.89 ? NE1 TRP 100 A 1 +ATOM 751 C CE2 TRP 100 . . A 1 -3.111 81.179 50.541 1 14.55 ? CE2 TRP 100 A 1 +ATOM 752 C CE3 TRP 100 . . A 1 -2.01 79.26 49.404 1 17 ? CE3 TRP 100 A 1 +ATOM 753 C CZ2 TRP 100 . . A 1 -3.551 80.332 51.55 1 15.08 ? CZ2 TRP 100 A 1 +ATOM 754 C CZ3 TRP 100 . . A 1 -2.458 78.443 50.445 1 16.68 ? CZ3 TRP 100 A 1 +ATOM 755 C CH2 TRP 100 . . A 1 -3.225 78.966 51.5 1 20.05 ? CH2 TRP 100 A 1 +ATOM 756 N N VAL 101 . . A 1 -2.574 82.443 44.034 1 25.62 ? N VAL 101 A 1 +ATOM 757 C CA VAL 101 . . A 1 -2.14 82.667 42.646 1 23.97 ? CA VAL 101 A 1 +ATOM 758 C C VAL 101 . . A 1 -1.583 84.09 42.563 1 24.09 ? C VAL 101 A 1 +ATOM 759 O O VAL 101 . . A 1 -2.116 84.979 43.228 1 26.95 ? O VAL 101 A 1 +ATOM 760 C CB VAL 101 . . A 1 -3.342 82.445 41.686 1 21.2 ? CB VAL 101 A 1 +ATOM 761 C CG1 VAL 101 . . A 1 -2.914 82.45 40.222 1 22.08 ? CG1 VAL 101 A 1 +ATOM 762 C CG2 VAL 101 . . A 1 -4.116 81.135 41.97 1 21.41 ? CG2 VAL 101 A 1 +ATOM 763 N N PRO 102 . . A 1 -0.491 84.299 41.786 1 21.15 ? N PRO 102 A 1 +ATOM 764 C CA PRO 102 . . A 1 -0.021 85.659 41.549 1 21.79 ? CA PRO 102 A 1 +ATOM 765 C C PRO 102 . . A 1 -1.007 86.572 40.836 1 27.45 ? C PRO 102 A 1 +ATOM 766 O O PRO 102 . . A 1 -2.032 86.168 40.293 1 29.87 ? O PRO 102 A 1 +ATOM 767 C CB PRO 102 . . A 1 1.267 85.476 40.748 1 18.71 ? CB PRO 102 A 1 +ATOM 768 C CG PRO 102 . . A 1 1.739 84.039 41.042 1 19.23 ? CG PRO 102 A 1 +ATOM 769 C CD PRO 102 . . A 1 0.455 83.261 41.369 1 21.1 ? CD PRO 102 A 1 +ATOM 770 N N SER 103 . . A 1 -0.639 87.853 40.861 1 31.89 ? N SER 103 A 1 +ATOM 771 C CA SER 103 . . A 1 -1.418 88.895 40.214 1 36.65 ? CA SER 103 A 1 +ATOM 772 C C SER 103 . . A 1 -0.335 89.673 39.495 1 40.27 ? C SER 103 A 1 +ATOM 773 O O SER 103 . . A 1 0.624 90.067 40.149 1 45.43 ? O SER 103 A 1 +ATOM 774 C CB SER 103 . . A 1 -2.139 89.825 41.201 1 33.6 ? CB SER 103 A 1 +ATOM 775 O OG SER 103 . . A 1 -2.995 90.716 40.485 1 36.95 ? OG SER 103 A 1 +ATOM 776 N N PRO 104 . . A 1 -0.464 89.891 38.178 1 39.36 ? N PRO 104 A 1 +ATOM 777 C CA PRO 104 . . A 1 -1.536 89.364 37.338 1 34.51 ? CA PRO 104 A 1 +ATOM 778 C C PRO 104 . . A 1 -1.392 87.856 37.227 1 29.79 ? C PRO 104 A 1 +ATOM 779 O O PRO 104 . . A 1 -0.305 87.316 37.385 1 27.4 ? O PRO 104 A 1 +ATOM 780 C CB PRO 104 . . A 1 -1.295 90.051 35.988 1 39.4 ? CB PRO 104 A 1 +ATOM 781 C CG PRO 104 . . A 1 0.176 90.518 35.995 1 40.72 ? CG PRO 104 A 1 +ATOM 782 C CD PRO 104 . . A 1 0.561 90.646 37.471 1 40.1 ? CD PRO 104 A 1 +ATOM 783 N N ARG 105 . . A 1 -2.532 87.204 36.976 1 25.21 ? N ARG 105 A 1 +ATOM 784 C CA ARG 105 . . A 1 -2.52 85.753 36.84 1 25.56 ? CA ARG 105 A 1 +ATOM 785 C C ARG 105 . . A 1 -1.487 85.352 35.791 1 28.23 ? C ARG 105 A 1 +ATOM 786 O O ARG 105 . . A 1 -1.502 85.94 34.72 1 31.77 ? O ARG 105 A 1 +ATOM 787 C CB ARG 105 . . A 1 -3.902 85.296 36.371 1 23.36 ? CB ARG 105 A 1 +ATOM 788 C CG ARG 105 . . A 1 -4.102 83.777 36.413 1 25.28 ? CG ARG 105 A 1 +ATOM 789 C CD ARG 105 . . A 1 -5.452 83.331 35.826 1 33.93 ? CD ARG 105 A 1 +ATOM 790 N NE ARG 105 . . A 1 -6.571 84.129 36.333 1 38.86 ? NE ARG 105 A 1 +ATOM 791 C CZ ARG 105 . . A 1 -7.844 83.856 35.996 1 40.85 ? CZ ARG 105 A 1 +ATOM 792 N NH1 ARG 105 . . A 1 -8.146 82.852 35.176 1 45.02 ? NH1 ARG 105 A 1 +ATOM 793 N NH2 ARG 105 . . A 1 -8.831 84.6 36.485 1 41.71 ? NH2 ARG 105 A 1 +ATOM 794 N N PRO 106 . . A 1 -0.605 84.386 36.088 1 30.08 ? N PRO 106 A 1 +ATOM 795 C CA PRO 106 . . A 1 0.352 83.921 35.084 1 30.73 ? CA PRO 106 A 1 +ATOM 796 C C PRO 106 . . A 1 -0.389 83.037 34.076 1 32.25 ? C PRO 106 A 1 +ATOM 797 O O PRO 106 . . A 1 -1.511 82.591 34.312 1 32.38 ? O PRO 106 A 1 +ATOM 798 C CB PRO 106 . . A 1 1.4 83.14 35.902 1 30.25 ? CB PRO 106 A 1 +ATOM 799 C CG PRO 106 . . A 1 0.702 82.765 37.223 1 31.36 ? CG PRO 106 A 1 +ATOM 800 C CD PRO 106 . . A 1 -0.475 83.744 37.389 1 29.44 ? CD PRO 106 A 1 +ATOM 801 N N LYS 107 . . A 1 0.301 82.769 32.946 1 30.72 ? N LYS 107 A 1 +ATOM 802 C CA LYS 107 . . A 1 -0.264 81.958 31.873 1 27.34 ? CA LYS 107 A 1 +ATOM 803 C C LYS 107 . . A 1 -0.089 80.476 32.151 1 26.12 ? C LYS 107 A 1 +ATOM 804 O O LYS 107 . . A 1 -1.005 79.674 32.119 1 25.2 ? O LYS 107 A 1 +ATOM 805 C CB LYS 107 . . A 1 0.287 82.423 30.53 1 28.41 ? CB LYS 107 A 1 +ATOM 806 N N SER 108 . . A 1 1.144 80.134 32.43 1 25.79 ? N SER 108 A 1 +ATOM 807 C CA SER 108 . . A 1 1.465 78.762 32.78 1 29.14 ? CA SER 108 A 1 +ATOM 808 C C SER 108 . . A 1 2.701 78.929 33.61 1 30.57 ? C SER 108 A 1 +ATOM 809 O O SER 108 . . A 1 3.641 79.517 33.095 1 30.49 ? O SER 108 A 1 +ATOM 810 C CB SER 108 . . A 1 1.841 77.916 31.571 1 28.68 ? CB SER 108 A 1 +ATOM 811 O OG SER 108 . . A 1 0.699 77.249 31.06 1 37.53 ? OG SER 108 A 1 +ATOM 812 N N THR 109 . . A 1 2.696 78.444 34.861 1 29.7 ? N THR 109 A 1 +ATOM 813 C CA THR 109 . . A 1 3.864 78.57 35.721 1 25.6 ? CA THR 109 A 1 +ATOM 814 C C THR 109 . . A 1 3.887 77.365 36.631 1 25.96 ? C THR 109 A 1 +ATOM 815 O O THR 109 . . A 1 2.918 76.606 36.626 1 28.79 ? O THR 109 A 1 +ATOM 816 C CB THR 109 . . A 1 3.839 79.919 36.435 1 22.51 ? CB THR 109 A 1 +ATOM 817 O OG1 THR 109 . . A 1 5.133 80.163 36.97 1 30.15 ? OG1 THR 109 A 1 +ATOM 818 C CG2 THR 109 . . A 1 2.746 80.107 37.496 1 20.47 ? CG2 THR 109 A 1 +ATOM 819 N N THR 110 . . A 1 4.999 77.202 37.372 1 20.3 ? N THR 110 A 1 +ATOM 820 C CA THR 110 . . A 1 5.191 76.072 38.277 1 16.91 ? CA THR 110 A 1 +ATOM 821 C C THR 110 . . A 1 4.161 76.062 39.382 1 16.26 ? C THR 110 A 1 +ATOM 822 O O THR 110 . . A 1 3.648 77.099 39.804 1 16.76 ? O THR 110 A 1 +ATOM 823 C CB THR 110 . . A 1 6.597 76.167 38.862 1 17.56 ? CB THR 110 A 1 +ATOM 824 O OG1 THR 110 . . A 1 7.482 76.435 37.782 1 19.32 ? OG1 THR 110 A 1 +ATOM 825 C CG2 THR 110 . . A 1 7.093 74.903 39.562 1 17.74 ? CG2 THR 110 A 1 +ATOM 826 N N VAL 111 . . A 1 3.905 74.847 39.85 1 12.04 ? N VAL 111 A 1 +ATOM 827 C CA VAL 111 . . A 1 2.933 74.65 40.884 1 12.71 ? CA VAL 111 A 1 +ATOM 828 C C VAL 111 . . A 1 3.619 73.91 42.015 1 13.45 ? C VAL 111 A 1 +ATOM 829 O O VAL 111 . . A 1 4.44 73.036 41.749 1 8.98 ? O VAL 111 A 1 +ATOM 830 C CB VAL 111 . . A 1 1.822 73.79 40.267 1 10.48 ? CB VAL 111 A 1 +ATOM 831 C CG1 VAL 111 . . A 1 0.65 73.518 41.209 1 17.35 ? CG1 VAL 111 A 1 +ATOM 832 C CG2 VAL 111 . . A 1 1.294 74.387 38.961 1 10.89 ? CG2 VAL 111 A 1 +ATOM 833 N N MET 112 . . A 1 3.268 74.27 43.272 1 13.92 ? N MET 112 A 1 +ATOM 834 C CA MET 112 . . A 1 3.81 73.625 44.465 1 8.38 ? CA MET 112 A 1 +ATOM 835 C C MET 112 . . A 1 2.588 73.253 45.273 1 10.42 ? C MET 112 A 1 +ATOM 836 O O MET 112 . . A 1 1.78 74.125 45.58 1 12.73 ? O MET 112 A 1 +ATOM 837 C CB MET 112 . . A 1 4.73 74.574 45.226 1 2.88 ? CB MET 112 A 1 +ATOM 838 C CG MET 112 . . A 1 5.907 75.036 44.352 1 2 ? CG MET 112 A 1 +ATOM 839 S SD MET 112 . . A 1 7.23 75.786 45.353 1 8.8 ? SD MET 112 A 1 +ATOM 840 C CE MET 112 . . A 1 7.892 74.272 46.113 1 5.32 ? CE MET 112 A 1 +ATOM 841 N N VAL 113 . . A 1 2.431 71.954 45.563 1 9.72 ? N VAL 113 A 1 +ATOM 842 C CA VAL 113 . . A 1 1.284 71.466 46.333 1 9.94 ? CA VAL 113 A 1 +ATOM 843 C C VAL 113 . . A 1 1.84 71.047 47.683 1 12.79 ? C VAL 113 A 1 +ATOM 844 O O VAL 113 . . A 1 2.714 70.192 47.747 1 17.85 ? O VAL 113 A 1 +ATOM 845 C CB VAL 113 . . A 1 0.7 70.192 45.662 1 8.48 ? CB VAL 113 A 1 +ATOM 846 C CG1 VAL 113 . . A 1 -0.476 69.582 46.422 1 5.76 ? CG1 VAL 113 A 1 +ATOM 847 C CG2 VAL 113 . . A 1 0.339 70.337 44.185 1 5.88 ? CG2 VAL 113 A 1 +ATOM 848 N N TRP 114 . . A 1 1.31 71.613 48.756 1 13.62 ? N TRP 114 A 1 +ATOM 849 C CA TRP 114 . . A 1 1.767 71.319 50.113 1 13.84 ? CA TRP 114 A 1 +ATOM 850 C C TRP 114 . . A 1 0.871 70.289 50.789 1 13.2 ? C TRP 114 A 1 +ATOM 851 O O TRP 114 . . A 1 -0.34 70.506 50.888 1 16.95 ? O TRP 114 A 1 +ATOM 852 C CB TRP 114 . . A 1 1.693 72.653 50.908 1 15.62 ? CB TRP 114 A 1 +ATOM 853 C CG TRP 114 . . A 1 2.009 72.493 52.386 1 16.04 ? CG TRP 114 A 1 +ATOM 854 C CD1 TRP 114 . . A 1 1.093 72.608 53.465 1 16.62 ? CD1 TRP 114 A 1 +ATOM 855 C CD2 TRP 114 . . A 1 3.257 72.186 52.94 1 12.64 ? CD2 TRP 114 A 1 +ATOM 856 N NE1 TRP 114 . . A 1 1.724 72.376 54.643 1 14.39 ? NE1 TRP 114 A 1 +ATOM 857 C CE2 TRP 114 . . A 1 3.044 72.106 54.395 1 10.99 ? CE2 TRP 114 A 1 +ATOM 858 C CE3 TRP 114 . . A 1 4.52 71.943 52.408 1 12.85 ? CE3 TRP 114 A 1 +ATOM 859 C CZ2 TRP 114 . . A 1 4.13 71.81 55.211 1 10.13 ? CZ2 TRP 114 A 1 +ATOM 860 C CZ3 TRP 114 . . A 1 5.589 71.64 53.26 1 9.96 ? CZ3 TRP 114 A 1 +ATOM 861 C CH2 TRP 114 . . A 1 5.392 71.573 54.643 1 9.36 ? CH2 TRP 114 A 1 +ATOM 862 N N ILE 115 . . A 1 1.487 69.2 51.262 1 12.94 ? N ILE 115 A 1 +ATOM 863 C CA ILE 115 . . A 1 0.812 68.126 51.991 1 11.91 ? CA ILE 115 A 1 +ATOM 864 C C ILE 115 . . A 1 1.353 68.264 53.426 1 17.84 ? C ILE 115 A 1 +ATOM 865 O O ILE 115 . . A 1 2.548 68.034 53.654 1 21.48 ? O ILE 115 A 1 +ATOM 866 C CB ILE 115 . . A 1 1.185 66.764 51.38 1 8.5 ? CB ILE 115 A 1 +ATOM 867 C CG1 ILE 115 . . A 1 1.022 66.806 49.833 1 6.95 ? CG1 ILE 115 A 1 +ATOM 868 C CG2 ILE 115 . . A 1 0.438 65.597 52.059 1 2.5 ? CG2 ILE 115 A 1 +ATOM 869 C CD1 ILE 115 . . A 1 1.134 65.447 49.121 1 5.12 ? CD1 ILE 115 A 1 +ATOM 870 N N TYR 116 . . A 1 0.453 68.652 54.372 1 16.62 ? N TYR 116 A 1 +ATOM 871 C CA TYR 116 . . A 1 0.81 68.865 55.784 1 11.94 ? CA TYR 116 A 1 +ATOM 872 C C TYR 116 . . A 1 1.152 67.614 56.581 1 14.71 ? C TYR 116 A 1 +ATOM 873 O O TYR 116 . . A 1 0.761 66.489 56.293 1 16.59 ? O TYR 116 A 1 +ATOM 874 C CB TYR 116 . . A 1 -0.278 69.648 56.545 1 9.8 ? CB TYR 116 A 1 +ATOM 875 C CG TYR 116 . . A 1 -1.647 69.008 56.579 1 8.1 ? CG TYR 116 A 1 +ATOM 876 C CD1 TYR 116 . . A 1 -1.881 67.74 57.158 1 9.71 ? CD1 TYR 116 A 1 +ATOM 877 C CD2 TYR 116 . . A 1 -2.725 69.704 56.022 1 7.13 ? CD2 TYR 116 A 1 +ATOM 878 C CE1 TYR 116 . . A 1 -3.169 67.182 57.164 1 6.62 ? CE1 TYR 116 A 1 +ATOM 879 C CE2 TYR 116 . . A 1 -4.006 69.153 56.019 1 3.94 ? CE2 TYR 116 A 1 +ATOM 880 C CZ TYR 116 . . A 1 -4.225 67.898 56.586 1 4.37 ? CZ TYR 116 A 1 +ATOM 881 O OH TYR 116 . . A 1 -5.5 67.391 56.594 1 10.79 ? OH TYR 116 A 1 +ATOM 882 N N GLY 117 . . A 1 1.886 67.862 57.656 1 16.91 ? N GLY 117 A 1 +ATOM 883 C CA GLY 117 . . A 1 2.315 66.812 58.55 1 14.98 ? CA GLY 117 A 1 +ATOM 884 C C GLY 117 . . A 1 1.378 66.772 59.725 1 16.3 ? C GLY 117 A 1 +ATOM 885 O O GLY 117 . . A 1 0.361 67.469 59.779 1 13.8 ? O GLY 117 A 1 +ATOM 886 N N GLY 118 . . A 1 1.802 65.935 60.691 1 17.02 ? N GLY 118 A 1 +ATOM 887 C CA GLY 118 . . A 1 1.026 65.735 61.919 1 11.44 ? CA GLY 118 A 1 +ATOM 888 C C GLY 118 . . A 1 0.969 64.274 62.377 1 8.72 ? C GLY 118 A 1 +ATOM 889 O O GLY 118 . . A 1 -0.008 63.845 62.978 1 5.62 ? O GLY 118 A 1 +ATOM 890 N N GLY 119 . . A 1 2.02 63.492 62.055 1 2 ? N GLY 119 A 1 +ATOM 891 C CA GLY 119 . . A 1 1.985 62.085 62.487 1 5.94 ? CA GLY 119 A 1 +ATOM 892 C C GLY 119 . . A 1 0.749 61.27 62.079 1 8.79 ? C GLY 119 A 1 +ATOM 893 O O GLY 119 . . A 1 0.359 60.285 62.688 1 13.5 ? O GLY 119 A 1 +ATOM 894 N N PHE 120 . . A 1 0.105 61.718 61.013 1 11.22 ? N PHE 120 A 1 +ATOM 895 C CA PHE 120 . . A 1 -1.093 61.067 60.49 1 12.14 ? CA PHE 120 A 1 +ATOM 896 C C PHE 120 . . A 1 -2.344 61.235 61.335 1 15.23 ? C PHE 120 A 1 +ATOM 897 O O PHE 120 . . A 1 -3.405 60.852 60.864 1 15.16 ? O PHE 120 A 1 +ATOM 898 C CB PHE 120 . . A 1 -0.898 59.592 60.086 1 11.92 ? CB PHE 120 A 1 +ATOM 899 C CG PHE 120 . . A 1 -0.021 59.437 58.865 1 11.41 ? CG PHE 120 A 1 +ATOM 900 C CD1 PHE 120 . . A 1 -0.517 59.828 57.608 1 11.7 ? CD1 PHE 120 A 1 +ATOM 901 C CD2 PHE 120 . . A 1 1.272 58.896 58.957 1 12.73 ? CD2 PHE 120 A 1 +ATOM 902 C CE1 PHE 120 . . A 1 0.257 59.674 56.456 1 11.52 ? CE1 PHE 120 A 1 +ATOM 903 C CE2 PHE 120 . . A 1 2.049 58.734 57.798 1 14.44 ? CE2 PHE 120 A 1 +ATOM 904 C CZ PHE 120 . . A 1 1.542 59.125 56.554 1 14.34 ? CZ PHE 120 A 1 +ATOM 905 N N TYR 121 . . A 1 -2.252 61.817 62.554 1 19.62 ? N TYR 121 A 1 +ATOM 906 C CA TYR 121 . . A 1 -3.43 62.023 63.438 1 13.61 ? CA TYR 121 A 1 +ATOM 907 C C TYR 121 . . A 1 -3.834 63.487 63.533 1 12.9 ? C TYR 121 A 1 +ATOM 908 O O TYR 121 . . A 1 -4.836 63.806 64.17 1 15.56 ? O TYR 121 A 1 +ATOM 909 C CB TYR 121 . . A 1 -3.222 61.517 64.891 1 11.91 ? CB TYR 121 A 1 +ATOM 910 C CG TYR 121 . . A 1 -2.162 62.299 65.637 1 11.99 ? CG TYR 121 A 1 +ATOM 911 C CD1 TYR 121 . . A 1 -0.821 61.913 65.545 1 12.64 ? CD1 TYR 121 A 1 +ATOM 912 C CD2 TYR 121 . . A 1 -2.498 63.446 66.378 1 8.96 ? CD2 TYR 121 A 1 +ATOM 913 C CE1 TYR 121 . . A 1 0.169 62.668 66.173 1 16.39 ? CE1 TYR 121 A 1 +ATOM 914 C CE2 TYR 121 . . A 1 -1.511 64.207 67.01 1 10.84 ? CE2 TYR 121 A 1 +ATOM 915 C CZ TYR 121 . . A 1 -0.169 63.811 66.912 1 16.22 ? CZ TYR 121 A 1 +ATOM 916 O OH TYR 121 . . A 1 0.852 64.505 67.542 1 20.04 ? OH TYR 121 A 1 +ATOM 917 N N SER 122 . . A 1 -3.043 64.388 62.951 1 12.66 ? N SER 122 A 1 +ATOM 918 C CA SER 122 . . A 1 -3.433 65.783 63.028 1 13.78 ? CA SER 122 A 1 +ATOM 919 C C SER 122 . . A 1 -2.996 66.469 61.746 1 15.52 ? C SER 122 A 1 +ATOM 920 O O SER 122 . . A 1 -2.343 65.84 60.917 1 19 ? O SER 122 A 1 +ATOM 921 C CB SER 122 . . A 1 -2.833 66.39 64.309 1 15.76 ? CB SER 122 A 1 +ATOM 922 O OG SER 122 . . A 1 -1.385 66.399 64.278 1 15.94 ? OG SER 122 A 1 +ATOM 923 N N GLY 123 . . A 1 -3.381 67.749 61.621 1 14.94 ? N GLY 123 A 1 +ATOM 924 C CA GLY 123 . . A 1 -2.982 68.541 60.481 1 12.91 ? CA GLY 123 A 1 +ATOM 925 C C GLY 123 . . A 1 -4.081 69.464 59.985 1 14.38 ? C GLY 123 A 1 +ATOM 926 O O GLY 123 . . A 1 -5.277 69.204 60.076 1 17.47 ? O GLY 123 A 1 +ATOM 927 N N SER 124 . . A 1 -3.667 70.609 59.463 1 12.13 ? N SER 124 A 1 +ATOM 928 C CA SER 124 . . A 1 -4.608 71.546 58.902 1 15.36 ? CA SER 124 A 1 +ATOM 929 C C SER 124 . . A 1 -3.839 72.263 57.826 1 19.62 ? C SER 124 A 1 +ATOM 930 O O SER 124 . . A 1 -2.623 72.36 57.868 1 21.18 ? O SER 124 A 1 +ATOM 931 C CB SER 124 . . A 1 -5.124 72.554 59.919 1 16.61 ? CB SER 124 A 1 +ATOM 932 O OG SER 124 . . A 1 -5.954 71.92 60.876 1 22.82 ? OG SER 124 A 1 +ATOM 933 N N SER 125 . . A 1 -4.571 72.752 56.839 1 20.53 ? N SER 125 A 1 +ATOM 934 C CA SER 125 . . A 1 -3.953 73.469 55.739 1 19.71 ? CA SER 125 A 1 +ATOM 935 C C SER 125 . . A 1 -4.045 74.981 55.94 1 19.53 ? C SER 125 A 1 +ATOM 936 O O SER 125 . . A 1 -3.391 75.776 55.296 1 23.23 ? O SER 125 A 1 +ATOM 937 C CB SER 125 . . A 1 -4.691 73.059 54.458 1 16 ? CB SER 125 A 1 +ATOM 938 O OG SER 125 . . A 1 -6.096 73.286 54.626 1 20.88 ? OG SER 125 A 1 +ATOM 939 N N THR 126 . . A 1 -4.918 75.336 56.865 1 17.15 ? N THR 126 A 1 +ATOM 940 C CA THR 126 . . A 1 -5.267 76.683 57.258 1 16.37 ? CA THR 126 A 1 +ATOM 941 C C THR 126 . . A 1 -4.343 77.317 58.289 1 15.76 ? C THR 126 A 1 +ATOM 942 O O THR 126 . . A 1 -4.533 78.441 58.74 1 19.46 ? O THR 126 A 1 +ATOM 943 C CB THR 126 . . A 1 -6.684 76.536 57.859 1 18.02 ? CB THR 126 A 1 +ATOM 944 O OG1 THR 126 . . A 1 -6.568 75.606 58.952 1 21.85 ? OG1 THR 126 A 1 +ATOM 945 C CG2 THR 126 . . A 1 -7.685 75.878 56.882 1 14.37 ? CG2 THR 126 A 1 +ATOM 946 N N LEU 127 . . A 1 -3.337 76.562 58.719 1 13.5 ? N LEU 127 A 1 +ATOM 947 C CA LEU 127 . . A 1 -2.451 77.133 59.722 1 11.7 ? CA LEU 127 A 1 +ATOM 948 C C LEU 127 . . A 1 -1.705 78.306 59.147 1 12.34 ? C LEU 127 A 1 +ATOM 949 O O LEU 127 . . A 1 -1.409 78.366 57.975 1 17.17 ? O LEU 127 A 1 +ATOM 950 C CB LEU 127 . . A 1 -1.422 76.104 60.212 1 9.96 ? CB LEU 127 A 1 +ATOM 951 C CG LEU 127 . . A 1 -2.002 74.756 60.677 1 7.51 ? CG LEU 127 A 1 +ATOM 952 C CD1 LEU 127 . . A 1 -0.87 73.911 61.282 1 9.8 ? CD1 LEU 127 A 1 +ATOM 953 C CD2 LEU 127 . . A 1 -3.143 74.925 61.696 1 6.16 ? CD2 LEU 127 A 1 +ATOM 954 N N ASP 128 . . A 1 -1.321 79.238 59.977 1 13.92 ? N ASP 128 A 1 +ATOM 955 C CA ASP 128 . . A 1 -0.609 80.406 59.501 1 16.51 ? CA ASP 128 A 1 +ATOM 956 C C ASP 128 . . A 1 0.772 80.081 59.013 1 15.68 ? C ASP 128 A 1 +ATOM 957 O O ASP 128 . . A 1 1.313 80.837 58.228 1 18.82 ? O ASP 128 A 1 +ATOM 958 C CB ASP 128 . . A 1 -0.487 81.527 60.544 1 23.3 ? CB ASP 128 A 1 +ATOM 959 C CG ASP 128 . . A 1 -1.804 82.083 61.084 1 28.62 ? CG ASP 128 A 1 +ATOM 960 O OD1 ASP 128 . . A 1 -2.87 81.733 60.572 1 36.47 ? OD1 ASP 128 A 1 +ATOM 961 O OD2 ASP 128 . . A 1 -1.751 82.873 62.029 1 35.21 ? OD2 ASP 128 A 1 +ATOM 962 N N VAL 129 . . A 1 1.374 78.973 59.458 1 16.76 ? N VAL 129 A 1 +ATOM 963 C CA VAL 129 . . A 1 2.721 78.716 58.919 1 17.51 ? CA VAL 129 A 1 +ATOM 964 C C VAL 129 . . A 1 2.614 78.002 57.572 1 20.95 ? C VAL 129 A 1 +ATOM 965 O O VAL 129 . . A 1 3.617 77.561 57.037 1 24.78 ? O VAL 129 A 1 +ATOM 966 C CB VAL 129 . . A 1 3.617 77.937 59.912 1 9.97 ? CB VAL 129 A 1 +ATOM 967 C CG1 VAL 129 . . A 1 4.157 78.846 61.02 1 15.67 ? CG1 VAL 129 A 1 +ATOM 968 C CG2 VAL 129 . . A 1 2.894 76.746 60.546 1 7.52 ? CG2 VAL 129 A 1 +ATOM 969 N N TYR 130 . . A 1 1.381 77.844 57.063 1 17.72 ? N TYR 130 A 1 +ATOM 970 C CA TYR 130 . . A 1 1.176 77.188 55.783 1 15.58 ? CA TYR 130 A 1 +ATOM 971 C C TYR 130 . . A 1 0.429 78.157 54.867 1 22.21 ? C TYR 130 A 1 +ATOM 972 O O TYR 130 . . A 1 -0.228 77.797 53.894 1 24.39 ? O TYR 130 A 1 +ATOM 973 C CB TYR 130 . . A 1 0.299 75.934 55.952 1 11.62 ? CB TYR 130 A 1 +ATOM 974 C CG TYR 130 . . A 1 0.825 74.823 56.857 1 9.44 ? CG TYR 130 A 1 +ATOM 975 C CD1 TYR 130 . . A 1 2.18 74.673 57.197 1 5.49 ? CD1 TYR 130 A 1 +ATOM 976 C CD2 TYR 130 . . A 1 -0.092 73.884 57.363 1 8.88 ? CD2 TYR 130 A 1 +ATOM 977 C CE1 TYR 130 . . A 1 2.591 73.611 58.022 1 6.11 ? CE1 TYR 130 A 1 +ATOM 978 C CE2 TYR 130 . . A 1 0.32 72.812 58.171 1 5.33 ? CE2 TYR 130 A 1 +ATOM 979 C CZ TYR 130 . . A 1 1.671 72.666 58.5 1 7.17 ? CZ TYR 130 A 1 +ATOM 980 O OH TYR 130 . . A 1 2.143 71.595 59.244 1 4.45 ? OH TYR 130 A 1 +ATOM 981 N N ASN 131 . . A 1 0.493 79.452 55.222 1 24.81 ? N ASN 131 A 1 +ATOM 982 C CA ASN 131 . . A 1 -0.197 80.445 54.4 1 23.92 ? CA ASN 131 A 1 +ATOM 983 C C ASN 131 . . A 1 0.734 80.708 53.237 1 23.49 ? C ASN 131 A 1 +ATOM 984 O O ASN 131 . . A 1 1.803 81.283 53.393 1 25.76 ? O ASN 131 A 1 +ATOM 985 C CB ASN 131 . . A 1 -0.482 81.708 55.217 1 24.47 ? CB ASN 131 A 1 +ATOM 986 C CG ASN 131 . . A 1 -1.187 82.722 54.362 1 22.55 ? CG ASN 131 A 1 +ATOM 987 O OD1 ASN 131 . . A 1 -0.626 83.207 53.402 1 22.56 ? OD1 ASN 131 A 1 +ATOM 988 N ND2 ASN 131 . . A 1 -2.427 83.044 54.691 1 27.84 ? ND2 ASN 131 A 1 +ATOM 989 N N GLY 132 . . A 1 0.325 80.257 52.049 1 25.22 ? N GLY 132 A 1 +ATOM 990 C CA GLY 132 . . A 1 1.201 80.415 50.887 1 24.01 ? CA GLY 132 A 1 +ATOM 991 C C GLY 132 . . A 1 1.292 81.78 50.223 1 24.53 ? C GLY 132 A 1 +ATOM 992 O O GLY 132 . . A 1 1.938 81.88 49.181 1 22.81 ? O GLY 132 A 1 +ATOM 993 N N LYS 133 . . A 1 0.691 82.84 50.796 1 23.16 ? N LYS 133 A 1 +ATOM 994 C CA LYS 133 . . A 1 0.787 84.142 50.126 1 20.32 ? CA LYS 133 A 1 +ATOM 995 C C LYS 133 . . A 1 2.206 84.627 49.859 1 20.65 ? C LYS 133 A 1 +ATOM 996 O O LYS 133 . . A 1 2.522 85.208 48.831 1 21.83 ? O LYS 133 A 1 +ATOM 997 C CB LYS 133 . . A 1 0.023 85.259 50.877 1 16.95 ? CB LYS 133 A 1 +ATOM 998 C CG LYS 133 . . A 1 0.713 85.863 52.142 1 22.4 ? CG LYS 133 A 1 +ATOM 999 C CD LYS 133 . . A 1 -0.033 87.022 52.852 1 20.59 ? CD LYS 133 A 1 +ATOM 1000 C CE LYS 133 . . A 1 -1.463 86.654 53.243 1 30.03 ? CE LYS 133 A 1 +ATOM 1001 N NZ LYS 133 . . A 1 -2.093 87.733 53.974 1 36.8 ? NZ LYS 133 A 1 +ATOM 1002 N N TYR 134 . . A 1 3.082 84.366 50.816 1 21.5 ? N TYR 134 A 1 +ATOM 1003 C CA TYR 134 . . A 1 4.442 84.873 50.659 1 22.9 ? CA TYR 134 A 1 +ATOM 1004 C C TYR 134 . . A 1 5.211 84.124 49.615 1 22.76 ? C TYR 134 A 1 +ATOM 1005 O O TYR 134 . . A 1 5.92 84.695 48.808 1 22.22 ? O TYR 134 A 1 +ATOM 1006 C CB TYR 134 . . A 1 5.214 84.878 52.002 1 25.06 ? CB TYR 134 A 1 +ATOM 1007 C CG TYR 134 . . A 1 4.405 85.495 53.122 1 25.21 ? CG TYR 134 A 1 +ATOM 1008 C CD1 TYR 134 . . A 1 4.387 86.883 53.331 1 26.12 ? CD1 TYR 134 A 1 +ATOM 1009 C CD2 TYR 134 . . A 1 3.62 84.668 53.938 1 27.87 ? CD2 TYR 134 A 1 +ATOM 1010 C CE1 TYR 134 . . A 1 3.581 87.44 54.333 1 29.44 ? CE1 TYR 134 A 1 +ATOM 1011 C CE2 TYR 134 . . A 1 2.807 85.215 54.935 1 30.74 ? CE2 TYR 134 A 1 +ATOM 1012 C CZ TYR 134 . . A 1 2.783 86.605 55.135 1 32.62 ? CZ TYR 134 A 1 +ATOM 1013 O OH TYR 134 . . A 1 1.969 87.16 56.108 1 36.7 ? OH TYR 134 A 1 +ATOM 1014 N N LEU 135 . . A 1 5.041 82.804 49.612 1 25.17 ? N LEU 135 A 1 +ATOM 1015 C CA LEU 135 . . A 1 5.786 82.023 48.62 1 22.13 ? CA LEU 135 A 1 +ATOM 1016 C C LEU 135 . . A 1 5.305 82.336 47.2 1 23.51 ? C LEU 135 A 1 +ATOM 1017 O O LEU 135 . . A 1 6.081 82.613 46.287 1 23.54 ? O LEU 135 A 1 +ATOM 1018 C CB LEU 135 . . A 1 5.709 80.52 48.958 1 13.03 ? CB LEU 135 A 1 +ATOM 1019 C CG LEU 135 . . A 1 6.761 79.635 48.278 1 9.29 ? CG LEU 135 A 1 +ATOM 1020 C CD1 LEU 135 . . A 1 8.181 80.179 48.469 1 6.96 ? CD1 LEU 135 A 1 +ATOM 1021 C CD2 LEU 135 . . A 1 6.71 78.203 48.836 1 2 ? CD2 LEU 135 A 1 +ATOM 1022 N N ALA 136 . . A 1 3.969 82.313 47.054 1 22.76 ? N ALA 136 A 1 +ATOM 1023 C CA ALA 136 . . A 1 3.352 82.583 45.765 1 22.99 ? CA ALA 136 A 1 +ATOM 1024 C C ALA 136 . . A 1 3.797 83.909 45.19 1 26.43 ? C ALA 136 A 1 +ATOM 1025 O O ALA 136 . . A 1 4.072 84.061 44.008 1 31.51 ? O ALA 136 A 1 +ATOM 1026 C CB ALA 136 . . A 1 1.822 82.62 45.886 1 24.06 ? CB ALA 136 A 1 +ATOM 1027 N N TYR 137 . . A 1 3.864 84.891 46.075 1 25.08 ? N TYR 137 A 1 +ATOM 1028 C CA TYR 137 . . A 1 4.259 86.228 45.667 1 21.07 ? CA TYR 137 A 1 +ATOM 1029 C C TYR 137 . . A 1 5.752 86.352 45.39 1 19.78 ? C TYR 137 A 1 +ATOM 1030 O O TYR 137 . . A 1 6.186 86.678 44.302 1 22.62 ? O TYR 137 A 1 +ATOM 1031 C CB TYR 137 . . A 1 3.776 87.176 46.78 1 21.86 ? CB TYR 137 A 1 +ATOM 1032 C CG TYR 137 . . A 1 4.207 88.596 46.587 1 25.22 ? CG TYR 137 A 1 +ATOM 1033 C CD1 TYR 137 . . A 1 5.469 89.006 47.056 1 26.11 ? CD1 TYR 137 A 1 +ATOM 1034 C CD2 TYR 137 . . A 1 3.39 89.502 45.897 1 27.33 ? CD2 TYR 137 A 1 +ATOM 1035 C CE1 TYR 137 . . A 1 5.934 90.303 46.813 1 26.02 ? CE1 TYR 137 A 1 +ATOM 1036 C CE2 TYR 137 . . A 1 3.861 90.803 45.65 1 29.82 ? CE2 TYR 137 A 1 +ATOM 1037 C CZ TYR 137 . . A 1 5.131 91.205 46.099 1 27.3 ? CZ TYR 137 A 1 +ATOM 1038 O OH TYR 137 . . A 1 5.59 92.473 45.816 1 30.83 ? OH TYR 137 A 1 +ATOM 1039 N N THR 138 . . A 1 6.561 86.075 46.389 1 20.97 ? N THR 138 A 1 +ATOM 1040 C CA THR 138 . . A 1 7.994 86.219 46.226 1 20.55 ? CA THR 138 A 1 +ATOM 1041 C C THR 138 . . A 1 8.594 85.388 45.105 1 19.98 ? C THR 138 A 1 +ATOM 1042 O O THR 138 . . A 1 9.536 85.824 44.465 1 22.83 ? O THR 138 A 1 +ATOM 1043 C CB THR 138 . . A 1 8.658 85.913 47.603 1 23.61 ? CB THR 138 A 1 +ATOM 1044 O OG1 THR 138 . . A 1 8.013 86.675 48.628 1 26.1 ? OG1 THR 138 A 1 +ATOM 1045 C CG2 THR 138 . . A 1 10.153 86.255 47.751 1 24.64 ? CG2 THR 138 A 1 +ATOM 1046 N N GLU 139 . . A 1 8.076 84.177 44.875 1 20.94 ? N GLU 139 A 1 +ATOM 1047 C CA GLU 139 . . A 1 8.66 83.342 43.822 1 20.56 ? CA GLU 139 A 1 +ATOM 1048 C C GLU 139 . . A 1 7.784 83.199 42.58 1 24.47 ? C GLU 139 A 1 +ATOM 1049 O O GLU 139 . . A 1 8.175 82.603 41.583 1 25.05 ? O GLU 139 A 1 +ATOM 1050 C CB GLU 139 . . A 1 9.037 81.968 44.39 1 14.12 ? CB GLU 139 A 1 +ATOM 1051 C CG GLU 139 . . A 1 10.209 82.052 45.386 1 17.03 ? CG GLU 139 A 1 +ATOM 1052 C CD GLU 139 . . A 1 11.524 82.428 44.705 1 24.78 ? CD GLU 139 A 1 +ATOM 1053 O OE1 GLU 139 . . A 1 11.72 82.081 43.54 1 26.19 ? OE1 GLU 139 A 1 +ATOM 1054 O OE2 GLU 139 . . A 1 12.362 83.065 45.341 1 27.39 ? OE2 GLU 139 A 1 +ATOM 1055 N N GLU 140 . . A 1 6.575 83.751 42.655 1 25.5 ? N GLU 140 A 1 +ATOM 1056 C CA GLU 140 . . A 1 5.678 83.684 41.516 1 25.77 ? CA GLU 140 A 1 +ATOM 1057 C C GLU 140 . . A 1 5.417 82.271 41.083 1 23.21 ? C GLU 140 A 1 +ATOM 1058 O O GLU 140 . . A 1 5.79 81.845 40.001 1 24.2 ? O GLU 140 A 1 +ATOM 1059 C CB GLU 140 . . A 1 6.182 84.55 40.358 1 31.13 ? CB GLU 140 A 1 +ATOM 1060 C CG GLU 140 . . A 1 6.341 86.013 40.826 1 42.92 ? CG GLU 140 A 1 +ATOM 1061 C CD GLU 140 . . A 1 7.014 86.896 39.795 1 46.01 ? CD GLU 140 A 1 +ATOM 1062 O OE1 GLU 140 . . A 1 8.247 86.987 39.816 1 48.31 ? OE1 GLU 140 A 1 +ATOM 1063 O OE2 GLU 140 . . A 1 6.3 87.494 38.988 1 48.93 ? OE2 GLU 140 A 1 +ATOM 1064 N N VAL 141 . . A 1 4.758 81.551 41.978 1 19.1 ? N VAL 141 A 1 +ATOM 1065 C CA VAL 141 . . A 1 4.408 80.193 41.681 1 16.2 ? CA VAL 141 A 1 +ATOM 1066 C C VAL 141 . . A 1 2.971 80.098 42.117 1 17.91 ? C VAL 141 A 1 +ATOM 1067 O O VAL 141 . . A 1 2.477 80.967 42.828 1 19.3 ? O VAL 141 A 1 +ATOM 1068 C CB VAL 141 . . A 1 5.31 79.223 42.464 1 13.59 ? CB VAL 141 A 1 +ATOM 1069 C CG1 VAL 141 . . A 1 6.789 79.545 42.267 1 14.93 ? CG1 VAL 141 A 1 +ATOM 1070 C CG2 VAL 141 . . A 1 5.016 79.148 43.974 1 15.84 ? CG2 VAL 141 A 1 +ATOM 1071 N N VAL 142 . . A 1 2.297 79.049 41.667 1 19.99 ? N VAL 142 A 1 +ATOM 1072 C CA VAL 142 . . A 1 0.929 78.836 42.099 1 21.84 ? CA VAL 142 A 1 +ATOM 1073 C C VAL 142 . . A 1 1.158 77.865 43.278 1 25.41 ? C VAL 142 A 1 +ATOM 1074 O O VAL 142 . . A 1 1.933 76.905 43.156 1 28.57 ? O VAL 142 A 1 +ATOM 1075 C CB VAL 142 . . A 1 0.102 78.239 40.935 1 16.98 ? CB VAL 142 A 1 +ATOM 1076 C CG1 VAL 142 . . A 1 -1.294 77.78 41.354 1 13.15 ? CG1 VAL 142 A 1 +ATOM 1077 C CG2 VAL 142 . . A 1 -0.015 79.247 39.779 1 14.31 ? CG2 VAL 142 A 1 +ATOM 1078 N N LEU 143 . . A 1 0.506 78.116 44.421 1 20.39 ? N LEU 143 A 1 +ATOM 1079 C CA LEU 143 . . A 1 0.739 77.203 45.521 1 16.77 ? CA LEU 143 A 1 +ATOM 1080 C C LEU 143 . . A 1 -0.568 76.675 45.998 1 14.76 ? C LEU 143 A 1 +ATOM 1081 O O LEU 143 . . A 1 -1.495 77.47 46.13 1 16.15 ? O LEU 143 A 1 +ATOM 1082 C CB LEU 143 . . A 1 1.421 77.98 46.647 1 18.86 ? CB LEU 143 A 1 +ATOM 1083 C CG LEU 143 . . A 1 2.033 77.054 47.721 1 21.71 ? CG LEU 143 A 1 +ATOM 1084 C CD1 LEU 143 . . A 1 3.315 77.673 48.226 1 23.56 ? CD1 LEU 143 A 1 +ATOM 1085 C CD2 LEU 143 . . A 1 1.098 76.749 48.911 1 25.64 ? CD2 LEU 143 A 1 +ATOM 1086 N N VAL 144 . . A 1 -0.655 75.366 46.252 1 10.75 ? N VAL 144 A 1 +ATOM 1087 C CA VAL 144 . . A 1 -1.919 74.86 46.755 1 14.28 ? CA VAL 144 A 1 +ATOM 1088 C C VAL 144 . . A 1 -1.633 74.09 48.043 1 17.51 ? C VAL 144 A 1 +ATOM 1089 O O VAL 144 . . A 1 -0.498 73.691 48.307 1 17.97 ? O VAL 144 A 1 +ATOM 1090 C CB VAL 144 . . A 1 -2.686 74.015 45.688 1 13.8 ? CB VAL 144 A 1 +ATOM 1091 C CG1 VAL 144 . . A 1 -2.732 74.691 44.318 1 12.2 ? CG1 VAL 144 A 1 +ATOM 1092 C CG2 VAL 144 . . A 1 -2.147 72.612 45.491 1 12.87 ? CG2 VAL 144 A 1 +ATOM 1093 N N SER 145 . . A 1 -2.688 73.863 48.838 1 18.01 ? N SER 145 A 1 +ATOM 1094 C CA SER 145 . . A 1 -2.565 73.094 50.077 1 16.75 ? CA SER 145 A 1 +ATOM 1095 C C SER 145 . . A 1 -3.721 72.102 50.093 1 18.35 ? C SER 145 A 1 +ATOM 1096 O O SER 145 . . A 1 -4.841 72.534 49.83 1 21.33 ? O SER 145 A 1 +ATOM 1097 C CB SER 145 . . A 1 -2.752 73.997 51.294 1 14.17 ? CB SER 145 A 1 +ATOM 1098 O OG SER 145 . . A 1 -1.903 75.113 51.205 1 15.89 ? OG SER 145 A 1 +ATOM 1099 N N LEU 146 . . A 1 -3.436 70.823 50.382 1 16.79 ? N LEU 146 A 1 +ATOM 1100 C CA LEU 146 . . A 1 -4.478 69.793 50.431 1 18.68 ? CA LEU 146 A 1 +ATOM 1101 C C LEU 146 . . A 1 -5.026 69.673 51.849 1 20.48 ? C LEU 146 A 1 +ATOM 1102 O O LEU 146 . . A 1 -4.548 70.291 52.79 1 21.78 ? O LEU 146 A 1 +ATOM 1103 C CB LEU 146 . . A 1 -3.892 68.376 50.129 1 16.79 ? CB LEU 146 A 1 +ATOM 1104 C CG LEU 146 . . A 1 -2.875 68.317 48.994 1 14.27 ? CG LEU 146 A 1 +ATOM 1105 C CD1 LEU 146 . . A 1 -2.457 66.882 48.684 1 13.59 ? CD1 LEU 146 A 1 +ATOM 1106 C CD2 LEU 146 . . A 1 -3.47 68.973 47.764 1 19.32 ? CD2 LEU 146 A 1 +ATOM 1107 N N SER 147 . . A 1 -6.012 68.801 51.976 1 19.32 ? N SER 147 A 1 +ATOM 1108 C CA SER 147 . . A 1 -6.625 68.454 53.232 1 18.72 ? CA SER 147 A 1 +ATOM 1109 C C SER 147 . . A 1 -6.769 66.967 53.082 1 19.4 ? C SER 147 A 1 +ATOM 1110 O O SER 147 . . A 1 -6.957 66.501 51.965 1 22.27 ? O SER 147 A 1 +ATOM 1111 C CB SER 147 . . A 1 -8.036 69.035 53.378 1 20.89 ? CB SER 147 A 1 +ATOM 1112 O OG SER 147 . . A 1 -7.956 70.444 53.544 1 37.06 ? OG SER 147 A 1 +ATOM 1113 N N TYR 148 . . A 1 -6.666 66.195 54.149 1 17.63 ? N TYR 148 A 1 +ATOM 1114 C CA TYR 148 . . A 1 -6.852 64.775 54.008 1 13.26 ? CA TYR 148 A 1 +ATOM 1115 C C TYR 148 . . A 1 -7.206 64.252 55.354 1 11.54 ? C TYR 148 A 1 +ATOM 1116 O O TYR 148 . . A 1 -6.831 64.78 56.38 1 13.23 ? O TYR 148 A 1 +ATOM 1117 C CB TYR 148 . . A 1 -5.637 64.082 53.421 1 14.4 ? CB TYR 148 A 1 +ATOM 1118 C CG TYR 148 . . A 1 -4.381 64.141 54.265 1 9.41 ? CG TYR 148 A 1 +ATOM 1119 C CD1 TYR 148 . . A 1 -3.487 65.221 54.133 1 10.32 ? CD1 TYR 148 A 1 +ATOM 1120 C CD2 TYR 148 . . A 1 -4.081 63.096 55.175 1 10.52 ? CD2 TYR 148 A 1 +ATOM 1121 C CE1 TYR 148 . . A 1 -2.315 65.264 54.877 1 12.35 ? CE1 TYR 148 A 1 +ATOM 1122 C CE2 TYR 148 . . A 1 -2.915 63.128 55.942 1 7.28 ? CE2 TYR 148 A 1 +ATOM 1123 C CZ TYR 148 . . A 1 -2.053 64.227 55.784 1 8.13 ? CZ TYR 148 A 1 +ATOM 1124 O OH TYR 148 . . A 1 -0.947 64.277 56.571 1 10.17 ? OH TYR 148 A 1 +ATOM 1125 N N ARG 149 . . A 1 -7.992 63.207 55.347 1 8.06 ? N ARG 149 A 1 +ATOM 1126 C CA ARG 149 . . A 1 -8.396 62.667 56.614 1 7.55 ? CA ARG 149 A 1 +ATOM 1127 C C ARG 149 . . A 1 -7.23 62.04 57.315 1 10.66 ? C ARG 149 A 1 +ATOM 1128 O O ARG 149 . . A 1 -6.502 61.285 56.693 1 15.64 ? O ARG 149 A 1 +ATOM 1129 C CB ARG 149 . . A 1 -9.464 61.634 56.327 1 2.81 ? CB ARG 149 A 1 +ATOM 1130 C CG ARG 149 . . A 1 -10.742 62.352 55.885 1 4.63 ? CG ARG 149 A 1 +ATOM 1131 C CD ARG 149 . . A 1 -11.813 61.344 55.529 1 7.73 ? CD ARG 149 A 1 +ATOM 1132 N NE ARG 149 . . A 1 -11.515 60.858 54.207 1 6.6 ? NE ARG 149 A 1 +ATOM 1133 C CZ ARG 149 . . A 1 -12.149 59.825 53.671 1 8.52 ? CZ ARG 149 A 1 +ATOM 1134 N NH1 ARG 149 . . A 1 -12.956 59.041 54.382 1 5.14 ? NH1 ARG 149 A 1 +ATOM 1135 N NH2 ARG 149 . . A 1 -11.952 59.587 52.384 1 12.44 ? NH2 ARG 149 A 1 +ATOM 1136 N N VAL 150 . . A 1 -7.116 62.352 58.605 1 10.93 ? N VAL 150 A 1 +ATOM 1137 C CA VAL 150 . . A 1 -6.094 61.871 59.496 1 9.4 ? CA VAL 150 A 1 +ATOM 1138 C C VAL 150 . . A 1 -6.789 60.995 60.528 1 11.21 ? C VAL 150 A 1 +ATOM 1139 O O VAL 150 . . A 1 -8.006 60.908 60.612 1 10.42 ? O VAL 150 A 1 +ATOM 1140 C CB VAL 150 . . A 1 -5.471 63.106 60.162 1 5.14 ? CB VAL 150 A 1 +ATOM 1141 C CG1 VAL 150 . . A 1 -4.638 63.903 59.153 1 8.3 ? CG1 VAL 150 A 1 +ATOM 1142 C CG2 VAL 150 . . A 1 -6.524 64.009 60.828 1 2 ? CG2 VAL 150 A 1 +ATOM 1143 N N GLY 151 . . A 1 -6.004 60.306 61.333 1 8.74 ? N GLY 151 A 1 +ATOM 1144 C CA GLY 151 . . A 1 -6.612 59.499 62.367 1 13.27 ? CA GLY 151 A 1 +ATOM 1145 C C GLY 151 . . A 1 -7.414 58.318 61.874 1 13.43 ? C GLY 151 A 1 +ATOM 1146 O O GLY 151 . . A 1 -7.234 57.777 60.799 1 18.94 ? O GLY 151 A 1 +ATOM 1147 N N ALA 152 . . A 1 -8.338 57.913 62.734 1 15.81 ? N ALA 152 A 1 +ATOM 1148 C CA ALA 152 . . A 1 -9.201 56.786 62.448 1 15.08 ? CA ALA 152 A 1 +ATOM 1149 C C ALA 152 . . A 1 -9.902 56.996 61.142 1 16.48 ? C ALA 152 A 1 +ATOM 1150 O O ALA 152 . . A 1 -9.926 56.157 60.255 1 19.77 ? O ALA 152 A 1 +ATOM 1151 C CB ALA 152 . . A 1 -10.277 56.644 63.557 1 16.38 ? CB ALA 152 A 1 +ATOM 1152 N N PHE 153 . . A 1 -10.456 58.201 61.068 1 16.47 ? N PHE 153 A 1 +ATOM 1153 C CA PHE 153 . . A 1 -11.234 58.661 59.929 1 17.52 ? CA PHE 153 A 1 +ATOM 1154 C C PHE 153 . . A 1 -10.564 58.546 58.59 1 19.1 ? C PHE 153 A 1 +ATOM 1155 O O PHE 153 . . A 1 -11.256 58.502 57.578 1 22.12 ? O PHE 153 A 1 +ATOM 1156 C CB PHE 153 . . A 1 -11.598 60.141 60.079 1 17.58 ? CB PHE 153 A 1 +ATOM 1157 C CG PHE 153 . . A 1 -12.25 60.434 61.396 1 18.29 ? CG PHE 153 A 1 +ATOM 1158 C CD1 PHE 153 . . A 1 -13.592 60.077 61.604 1 17.81 ? CD1 PHE 153 A 1 +ATOM 1159 C CD2 PHE 153 . . A 1 -11.517 61.048 62.428 1 19.79 ? CD2 PHE 153 A 1 +ATOM 1160 C CE1 PHE 153 . . A 1 -14.192 60.328 62.843 1 19.64 ? CE1 PHE 153 A 1 +ATOM 1161 C CE2 PHE 153 . . A 1 -12.119 61.298 63.664 1 14.71 ? CE2 PHE 153 A 1 +ATOM 1162 C CZ PHE 153 . . A 1 -13.454 60.935 63.873 1 16.31 ? CZ PHE 153 A 1 +ATOM 1163 N N GLY 154 . . A 1 -9.223 58.559 58.589 1 17.08 ? N GLY 154 A 1 +ATOM 1164 C CA GLY 154 . . A 1 -8.51 58.461 57.335 1 13.2 ? CA GLY 154 A 1 +ATOM 1165 C C GLY 154 . . A 1 -7.645 57.226 57.227 1 16.76 ? C GLY 154 A 1 +ATOM 1166 O O GLY 154 . . A 1 -7.2 56.899 56.126 1 21.42 ? O GLY 154 A 1 +ATOM 1167 N N PHE 155 . . A 1 -7.41 56.495 58.332 1 10.13 ? N PHE 155 A 1 +ATOM 1168 C CA PHE 155 . . A 1 -6.518 55.357 58.19 1 4.35 ? CA PHE 155 A 1 +ATOM 1169 C C PHE 155 . . A 1 -6.946 54.07 58.856 1 6.32 ? C PHE 155 A 1 +ATOM 1170 O O PHE 155 . . A 1 -6.132 53.154 59.01 1 5.8 ? O PHE 155 A 1 +ATOM 1171 C CB PHE 155 . . A 1 -5.11 55.781 58.6 1 2.53 ? CB PHE 155 A 1 +ATOM 1172 C CG PHE 155 . . A 1 -4.545 56.853 57.682 1 7.11 ? CG PHE 155 A 1 +ATOM 1173 C CD1 PHE 155 . . A 1 -4.762 58.218 57.957 1 7.24 ? CD1 PHE 155 A 1 +ATOM 1174 C CD2 PHE 155 . . A 1 -3.771 56.499 56.553 1 8.43 ? CD2 PHE 155 A 1 +ATOM 1175 C CE1 PHE 155 . . A 1 -4.2 59.206 57.133 1 6.69 ? CE1 PHE 155 A 1 +ATOM 1176 C CE2 PHE 155 . . A 1 -3.213 57.491 55.732 1 5.43 ? CE2 PHE 155 A 1 +ATOM 1177 C CZ PHE 155 . . A 1 -3.423 58.846 56.027 1 3.73 ? CZ PHE 155 A 1 +ATOM 1178 N N LEU 156 . . A 1 -8.224 53.988 59.25 1 5.3 ? N LEU 156 A 1 +ATOM 1179 C CA LEU 156 . . A 1 -8.702 52.738 59.857 1 8.53 ? CA LEU 156 A 1 +ATOM 1180 C C LEU 156 . . A 1 -8.566 51.683 58.777 1 8.36 ? C LEU 156 A 1 +ATOM 1181 O O LEU 156 . . A 1 -8.85 51.994 57.634 1 10.64 ? O LEU 156 A 1 +ATOM 1182 C CB LEU 156 . . A 1 -10.174 52.893 60.269 1 11.58 ? CB LEU 156 A 1 +ATOM 1183 C CG LEU 156 . . A 1 -10.789 51.648 60.921 1 9.96 ? CG LEU 156 A 1 +ATOM 1184 C CD1 LEU 156 . . A 1 -10.048 51.273 62.201 1 13.48 ? CD1 LEU 156 A 1 +ATOM 1185 C CD2 LEU 156 . . A 1 -12.269 51.889 61.218 1 11.63 ? CD2 LEU 156 A 1 +ATOM 1186 N N ALA 157 . . A 1 -8.18 50.451 59.089 1 8.96 ? N ALA 157 A 1 +ATOM 1187 C CA ALA 157 . . A 1 -8.007 49.543 57.969 1 8.75 ? CA ALA 157 A 1 +ATOM 1188 C C ALA 157 . . A 1 -8.408 48.094 58.168 1 12.3 ? C ALA 157 A 1 +ATOM 1189 O O ALA 157 . . A 1 -7.582 47.229 58.464 1 8.91 ? O ALA 157 A 1 +ATOM 1190 C CB ALA 157 . . A 1 -6.513 49.552 57.612 1 8.11 ? CB ALA 157 A 1 +ATOM 1191 N N LEU 158 . . A 1 -9.694 47.818 57.925 1 15.41 ? N LEU 158 A 1 +ATOM 1192 C CA LEU 158 . . A 1 -10.188 46.44 58.014 1 18.08 ? CA LEU 158 A 1 +ATOM 1193 C C LEU 158 . . A 1 -10 45.902 56.602 1 18.96 ? C LEU 158 A 1 +ATOM 1194 O O LEU 158 . . A 1 -10.913 45.777 55.804 1 19.4 ? O LEU 158 A 1 +ATOM 1195 C CB LEU 158 . . A 1 -11.651 46.445 58.445 1 16.34 ? CB LEU 158 A 1 +ATOM 1196 C CG LEU 158 . . A 1 -11.791 46.932 59.889 1 16.07 ? CG LEU 158 A 1 +ATOM 1197 C CD1 LEU 158 . . A 1 -13.179 47.487 60.148 1 16.62 ? CD1 LEU 158 A 1 +ATOM 1198 C CD2 LEU 158 . . A 1 -11.417 45.835 60.895 1 16.5 ? CD2 LEU 158 A 1 +ATOM 1199 N N HIS 159 . . A 1 -8.738 45.603 56.329 1 22.98 ? N HIS 159 A 1 +ATOM 1200 C CA HIS 159 . . A 1 -8.257 45.148 55.04 1 30.84 ? CA HIS 159 A 1 +ATOM 1201 C C HIS 159 . . A 1 -9.211 44.578 54.011 1 34.01 ? C HIS 159 A 1 +ATOM 1202 O O HIS 159 . . A 1 -9.41 45.223 52.986 1 40.62 ? O HIS 159 A 1 +ATOM 1203 C CB HIS 159 . . A 1 -6.949 44.348 55.106 1 38.7 ? CB HIS 159 A 1 +ATOM 1204 C CG HIS 159 . . A 1 -6.384 44.161 53.698 1 45.22 ? CG HIS 159 A 1 +ATOM 1205 N ND1 HIS 159 . . A 1 -6.542 45.038 52.67 1 47.49 ? ND1 HIS 159 A 1 +ATOM 1206 C CD2 HIS 159 . . A 1 -5.646 43.062 53.201 1 48.81 ? CD2 HIS 159 A 1 +ATOM 1207 C CE1 HIS 159 . . A 1 -5.92 44.506 51.599 1 48.99 ? CE1 HIS 159 A 1 +ATOM 1208 N NE2 HIS 159 . . A 1 -5.375 43.317 51.906 1 48.28 ? NE2 HIS 159 A 1 +ATOM 1209 N N GLY 160 . . A 1 -9.753 43.384 54.212 1 32.34 ? N GLY 160 A 1 +ATOM 1210 C CA GLY 160 . . A 1 -10.62 42.905 53.139 1 30.82 ? CA GLY 160 A 1 +ATOM 1211 C C GLY 160 . . A 1 -11.985 43.554 53.111 1 33.28 ? C GLY 160 A 1 +ATOM 1212 O O GLY 160 . . A 1 -12.973 42.851 52.919 1 37.69 ? O GLY 160 A 1 +ATOM 1213 N N SER 161 . . A 1 -12.084 44.86 53.31 1 32.25 ? N SER 161 A 1 +ATOM 1214 C CA SER 161 . . A 1 -13.387 45.468 53.317 1 33.51 ? CA SER 161 A 1 +ATOM 1215 C C SER 161 . . A 1 -13.352 46.684 52.425 1 34.9 ? C SER 161 A 1 +ATOM 1216 O O SER 161 . . A 1 -12.417 47.471 52.363 1 39.21 ? O SER 161 A 1 +ATOM 1217 C CB SER 161 . . A 1 -13.697 45.914 54.752 1 31.18 ? CB SER 161 A 1 +ATOM 1218 O OG SER 161 . . A 1 -15.002 46.512 54.807 1 36.26 ? OG SER 161 A 1 +ATOM 1219 N N GLN 162 . . A 1 -14.531 46.811 51.795 1 35.8 ? N GLN 162 A 1 +ATOM 1220 C CA GLN 162 . . A 1 -14.72 47.953 50.9 1 36.93 ? CA GLN 162 A 1 +ATOM 1221 C C GLN 162 . . A 1 -15.178 49.161 51.716 1 34.72 ? C GLN 162 A 1 +ATOM 1222 O O GLN 162 . . A 1 -15.019 50.319 51.367 1 36.56 ? O GLN 162 A 1 +ATOM 1223 C CB GLN 162 . . A 1 -15.836 47.628 49.86 1 39.31 ? CB GLN 162 A 1 +ATOM 1224 C CG GLN 162 . . A 1 -15.532 46.469 48.834 1 41.84 ? CG GLN 162 A 1 +ATOM 1225 N N GLU 163 . . A 1 -15.808 48.818 52.853 1 31.51 ? N GLU 163 A 1 +ATOM 1226 C CA GLU 163 . . A 1 -16.312 49.886 53.716 1 26.96 ? CA GLU 163 A 1 +ATOM 1227 C C GLU 163 . . A 1 -15.213 50.641 54.439 1 23.35 ? C GLU 163 A 1 +ATOM 1228 O O GLU 163 . . A 1 -15.34 51.82 54.704 1 26.46 ? O GLU 163 A 1 +ATOM 1229 C CB GLU 163 . . A 1 -17.382 49.341 54.675 1 29.38 ? CB GLU 163 A 1 +ATOM 1230 C CG GLU 163 . . A 1 -18.573 48.666 53.964 1 23.59 ? CG GLU 163 A 1 +ATOM 1231 C CD GLU 163 . . A 1 -19.228 49.607 52.977 1 23.58 ? CD GLU 163 A 1 +ATOM 1232 N N ALA 164 . . A 1 -14.15 49.927 54.793 1 16.59 ? N ALA 164 A 1 +ATOM 1233 C CA ALA 164 . . A 1 -13.012 50.549 55.458 1 15.06 ? CA ALA 164 A 1 +ATOM 1234 C C ALA 164 . . A 1 -11.768 49.786 54.98 1 16.71 ? C ALA 164 A 1 +ATOM 1235 O O ALA 164 . . A 1 -11.191 48.965 55.698 1 20.04 ? O ALA 164 A 1 +ATOM 1236 C CB ALA 164 . . A 1 -13.102 50.473 56.993 1 9.11 ? CB ALA 164 A 1 +ATOM 1237 N N PRO 165 . . A 1 -11.363 50.053 53.733 1 14.97 ? N PRO 165 A 1 +ATOM 1238 C CA PRO 165 . . A 1 -10.059 49.592 53.279 1 13.44 ? CA PRO 165 A 1 +ATOM 1239 C C PRO 165 . . A 1 -9.125 50.605 53.898 1 16.94 ? C PRO 165 A 1 +ATOM 1240 O O PRO 165 . . A 1 -9.521 51.684 54.341 1 23.84 ? O PRO 165 A 1 +ATOM 1241 C CB PRO 165 . . A 1 -10.132 49.788 51.767 1 14.41 ? CB PRO 165 A 1 +ATOM 1242 C CG PRO 165 . . A 1 -11.148 50.929 51.544 1 13.25 ? CG PRO 165 A 1 +ATOM 1243 C CD PRO 165 . . A 1 -12.055 50.921 52.779 1 11.35 ? CD PRO 165 A 1 +ATOM 1244 N N GLY 166 . . A 1 -7.847 50.29 53.93 1 14.46 ? N GLY 166 A 1 +ATOM 1245 C CA GLY 166 . . A 1 -7.054 51.348 54.567 1 15.06 ? CA GLY 166 A 1 +ATOM 1246 C C GLY 166 . . A 1 -6.75 52.485 53.617 1 10.6 ? C GLY 166 A 1 +ATOM 1247 O O GLY 166 . . A 1 -7.401 52.732 52.616 1 14.05 ? O GLY 166 A 1 +ATOM 1248 N N ASN 167 . . A 1 -5.69 53.192 53.974 1 6.94 ? N ASN 167 A 1 +ATOM 1249 C CA ASN 167 . . A 1 -5.128 54.278 53.193 1 3.98 ? CA ASN 167 A 1 +ATOM 1250 C C ASN 167 . . A 1 -6.064 55.306 52.602 1 5.66 ? C ASN 167 A 1 +ATOM 1251 O O ASN 167 . . A 1 -5.674 56.072 51.728 1 7.4 ? O ASN 167 A 1 +ATOM 1252 C CB ASN 167 . . A 1 -4.268 53.663 52.087 1 2 ? CB ASN 167 A 1 +ATOM 1253 C CG ASN 167 . . A 1 -3.276 52.695 52.707 1 8.15 ? CG ASN 167 A 1 +ATOM 1254 O OD1 ASN 167 . . A 1 -2.762 52.947 53.782 1 16.28 ? OD1 ASN 167 A 1 +ATOM 1255 N ND2 ASN 167 . . A 1 -3.023 51.567 52.071 1 7.46 ? ND2 ASN 167 A 1 +ATOM 1256 N N VAL 168 . . A 1 -7.279 55.39 53.11 1 6.08 ? N VAL 168 A 1 +ATOM 1257 C CA VAL 168 . . A 1 -8.209 56.344 52.551 1 8.29 ? CA VAL 168 A 1 +ATOM 1258 C C VAL 168 . . A 1 -7.717 57.784 52.574 1 10.31 ? C VAL 168 A 1 +ATOM 1259 O O VAL 168 . . A 1 -7.963 58.584 51.681 1 17.23 ? O VAL 168 A 1 +ATOM 1260 C CB VAL 168 . . A 1 -9.541 56.083 53.259 1 9.91 ? CB VAL 168 A 1 +ATOM 1261 C CG1 VAL 168 . . A 1 -10.541 57.207 53.16 1 7.1 ? CG1 VAL 168 A 1 +ATOM 1262 C CG2 VAL 168 . . A 1 -10.166 54.775 52.74 1 11.93 ? CG2 VAL 168 A 1 +ATOM 1263 N N GLY 169 . . A 1 -6.979 58.137 53.601 1 14.57 ? N GLY 169 A 1 +ATOM 1264 C CA GLY 169 . . A 1 -6.485 59.514 53.652 1 13.64 ? CA GLY 169 A 1 +ATOM 1265 C C GLY 169 . . A 1 -5.486 59.788 52.558 1 11.8 ? C GLY 169 A 1 +ATOM 1266 O O GLY 169 . . A 1 -5.331 60.897 52.058 1 12.92 ? O GLY 169 A 1 +ATOM 1267 N N LEU 170 . . A 1 -4.818 58.707 52.181 1 8 ? N LEU 170 A 1 +ATOM 1268 C CA LEU 170 . . A 1 -3.813 58.722 51.151 1 8.15 ? CA LEU 170 A 1 +ATOM 1269 C C LEU 170 . . A 1 -4.537 58.945 49.82 1 10.89 ? C LEU 170 A 1 +ATOM 1270 O O LEU 170 . . A 1 -4.164 59.742 48.956 1 10.83 ? O LEU 170 A 1 +ATOM 1271 C CB LEU 170 . . A 1 -3.015 57.415 51.312 1 5.68 ? CB LEU 170 A 1 +ATOM 1272 C CG LEU 170 . . A 1 -1.491 57.557 51.374 1 3.76 ? CG LEU 170 A 1 +ATOM 1273 C CD1 LEU 170 . . A 1 -0.946 58.687 52.256 1 4.84 ? CD1 LEU 170 A 1 +ATOM 1274 C CD2 LEU 170 . . A 1 -0.888 56.218 51.803 1 3.4 ? CD2 LEU 170 A 1 +ATOM 1275 N N LEU 171 . . A 1 -5.679 58.255 49.7 1 12.59 ? N LEU 171 A 1 +ATOM 1276 C CA LEU 171 . . A 1 -6.45 58.469 48.466 1 13.94 ? CA LEU 171 A 1 +ATOM 1277 C C LEU 171 . . A 1 -6.95 59.916 48.384 1 16.31 ? C LEU 171 A 1 +ATOM 1278 O O LEU 171 . . A 1 -6.981 60.529 47.327 1 22.51 ? O LEU 171 A 1 +ATOM 1279 C CB LEU 171 . . A 1 -7.633 57.509 48.325 1 6.31 ? CB LEU 171 A 1 +ATOM 1280 C CG LEU 171 . . A 1 -7.182 56.046 48.32 1 4.35 ? CG LEU 171 A 1 +ATOM 1281 C CD1 LEU 171 . . A 1 -8.382 55.107 48.295 1 10.78 ? CD1 LEU 171 A 1 +ATOM 1282 C CD2 LEU 171 . . A 1 -6.277 55.739 47.141 1 7.49 ? CD2 LEU 171 A 1 +ATOM 1283 N N ASP 172 . . A 1 -7.333 60.493 49.524 1 15.07 ? N ASP 172 A 1 +ATOM 1284 C CA ASP 172 . . A 1 -7.785 61.875 49.442 1 14.35 ? CA ASP 172 A 1 +ATOM 1285 C C ASP 172 . . A 1 -6.727 62.773 48.866 1 15.63 ? C ASP 172 A 1 +ATOM 1286 O O ASP 172 . . A 1 -7.038 63.722 48.161 1 18.63 ? O ASP 172 A 1 +ATOM 1287 C CB ASP 172 . . A 1 -8.118 62.497 50.799 1 18.99 ? CB ASP 172 A 1 +ATOM 1288 C CG ASP 172 . . A 1 -9.113 61.733 51.635 1 24.06 ? CG ASP 172 A 1 +ATOM 1289 O OD1 ASP 172 . . A 1 -9.846 60.915 51.094 1 26.06 ? OD1 ASP 172 A 1 +ATOM 1290 O OD2 ASP 172 . . A 1 -9.144 61.963 52.839 1 30.47 ? OD2 ASP 172 A 1 +ATOM 1291 N N GLN 173 . . A 1 -5.463 62.456 49.191 1 15.38 ? N GLN 173 A 1 +ATOM 1292 C CA GLN 173 . . A 1 -4.376 63.289 48.687 1 13.29 ? CA GLN 173 A 1 +ATOM 1293 C C GLN 173 . . A 1 -4.322 63.187 47.198 1 13.91 ? C GLN 173 A 1 +ATOM 1294 O O GLN 173 . . A 1 -4.22 64.154 46.457 1 14.44 ? O GLN 173 A 1 +ATOM 1295 C CB GLN 173 . . A 1 -3.008 62.871 49.249 1 10.88 ? CB GLN 173 A 1 +ATOM 1296 C CG GLN 173 . . A 1 -2.957 62.897 50.779 1 12.69 ? CG GLN 173 A 1 +ATOM 1297 C CD GLN 173 . . A 1 -1.554 62.665 51.307 1 12.03 ? CD GLN 173 A 1 +ATOM 1298 O OE1 GLN 173 . . A 1 -0.559 62.832 50.633 1 8.8 ? OE1 GLN 173 A 1 +ATOM 1299 N NE2 GLN 173 . . A 1 -1.48 62.303 52.567 1 17.3 ? NE2 GLN 173 A 1 +ATOM 1300 N N ARG 174 . . A 1 -4.424 61.93 46.775 1 14.81 ? N ARG 174 A 1 +ATOM 1301 C CA ARG 174 . . A 1 -4.386 61.661 45.346 1 13.15 ? CA ARG 174 A 1 +ATOM 1302 C C ARG 174 . . A 1 -5.47 62.412 44.626 1 11.65 ? C ARG 174 A 1 +ATOM 1303 O O ARG 174 . . A 1 -5.216 63.072 43.635 1 14.76 ? O ARG 174 A 1 +ATOM 1304 C CB ARG 174 . . A 1 -4.52 60.167 45.099 1 10.52 ? CB ARG 174 A 1 +ATOM 1305 C CG ARG 174 . . A 1 -4.373 59.751 43.646 1 7.57 ? CG ARG 174 A 1 +ATOM 1306 C CD ARG 174 . . A 1 -4.632 58.244 43.505 1 15.22 ? CD ARG 174 A 1 +ATOM 1307 N NE ARG 174 . . A 1 -3.503 57.506 44.014 1 12.35 ? NE ARG 174 A 1 +ATOM 1308 C CZ ARG 174 . . A 1 -3.431 56.166 44.057 1 16.56 ? CZ ARG 174 A 1 +ATOM 1309 N NH1 ARG 174 . . A 1 -4.5 55.388 43.885 1 13.82 ? NH1 ARG 174 A 1 +ATOM 1310 N NH2 ARG 174 . . A 1 -2.258 55.603 44.296 1 15.94 ? NH2 ARG 174 A 1 +ATOM 1311 N N MET 175 . . A 1 -6.692 62.313 45.14 1 9.23 ? N MET 175 A 1 +ATOM 1312 C CA MET 175 . . A 1 -7.79 63.018 44.507 1 9.52 ? CA MET 175 A 1 +ATOM 1313 C C MET 175 . . A 1 -7.516 64.506 44.372 1 11.08 ? C MET 175 A 1 +ATOM 1314 O O MET 175 . . A 1 -7.845 65.149 43.384 1 14.83 ? O MET 175 A 1 +ATOM 1315 C CB MET 175 . . A 1 -9.079 62.809 45.275 1 12.36 ? CB MET 175 A 1 +ATOM 1316 C CG MET 175 . . A 1 -10.28 63.432 44.559 1 17.99 ? CG MET 175 A 1 +ATOM 1317 S SD MET 175 . . A 1 -11.671 62.302 44.755 1 26.77 ? SD MET 175 A 1 +ATOM 1318 C CE MET 175 . . A 1 -11.147 61.18 43.418 1 23.6 ? CE MET 175 A 1 +ATOM 1319 N N ALA 176 . . A 1 -6.883 65.076 45.383 1 13.8 ? N ALA 176 A 1 +ATOM 1320 C CA ALA 176 . . A 1 -6.607 66.488 45.224 1 12.57 ? CA ALA 176 A 1 +ATOM 1321 C C ALA 176 . . A 1 -5.559 66.667 44.156 1 11.01 ? C ALA 176 A 1 +ATOM 1322 O O ALA 176 . . A 1 -5.618 67.616 43.404 1 14.19 ? O ALA 176 A 1 +ATOM 1323 C CB ALA 176 . . A 1 -6.152 67.113 46.519 1 15.81 ? CB ALA 176 A 1 +ATOM 1324 N N LEU 177 . . A 1 -4.603 65.74 44.08 1 12.4 ? N LEU 177 A 1 +ATOM 1325 C CA LEU 177 . . A 1 -3.565 65.816 43.039 1 15.13 ? CA LEU 177 A 1 +ATOM 1326 C C LEU 177 . . A 1 -4.202 65.733 41.646 1 17.24 ? C LEU 177 A 1 +ATOM 1327 O O LEU 177 . . A 1 -3.788 66.347 40.668 1 19.47 ? O LEU 177 A 1 +ATOM 1328 C CB LEU 177 . . A 1 -2.537 64.662 43.18 1 13.77 ? CB LEU 177 A 1 +ATOM 1329 C CG LEU 177 . . A 1 -1.163 64.996 43.81 1 9.51 ? CG LEU 177 A 1 +ATOM 1330 C CD1 LEU 177 . . A 1 -1.056 66.379 44.458 1 2.74 ? CD1 LEU 177 A 1 +ATOM 1331 C CD2 LEU 177 . . A 1 -0.756 63.887 44.783 1 8.15 ? CD2 LEU 177 A 1 +ATOM 1332 N N GLN 178 . . A 1 -5.261 64.929 41.573 1 17.82 ? N GLN 178 A 1 +ATOM 1333 C CA GLN 178 . . A 1 -5.959 64.804 40.312 1 14.51 ? CA GLN 178 A 1 +ATOM 1334 C C GLN 178 . . A 1 -6.584 66.124 39.954 1 13.43 ? C GLN 178 A 1 +ATOM 1335 O O GLN 178 . . A 1 -6.358 66.654 38.885 1 21.47 ? O GLN 178 A 1 +ATOM 1336 C CB GLN 178 . . A 1 -7.046 63.733 40.379 1 10.61 ? CB GLN 178 A 1 +ATOM 1337 C CG GLN 178 . . A 1 -7.709 63.438 39.027 1 18.8 ? CG GLN 178 A 1 +ATOM 1338 C CD GLN 178 . . A 1 -6.842 62.486 38.228 1 21.16 ? CD GLN 178 A 1 +ATOM 1339 O OE1 GLN 178 . . A 1 -6.622 61.349 38.61 1 25.52 ? OE1 GLN 178 A 1 +ATOM 1340 N NE2 GLN 178 . . A 1 -6.331 62.966 37.106 1 22.73 ? NE2 GLN 178 A 1 +ATOM 1341 N N TRP 179 . . A 1 -7.383 66.675 40.85 1 10.74 ? N TRP 179 A 1 +ATOM 1342 C CA TRP 179 . . A 1 -8.034 67.945 40.549 1 10.13 ? CA TRP 179 A 1 +ATOM 1343 C C TRP 179 . . A 1 -7.021 68.996 40.155 1 12 ? C TRP 179 A 1 +ATOM 1344 O O TRP 179 . . A 1 -7.252 69.795 39.264 1 19.76 ? O TRP 179 A 1 +ATOM 1345 C CB TRP 179 . . A 1 -8.838 68.399 41.776 1 10.49 ? CB TRP 179 A 1 +ATOM 1346 C CG TRP 179 . . A 1 -9.853 69.491 41.51 1 6.08 ? CG TRP 179 A 1 +ATOM 1347 C CD1 TRP 179 . . A 1 -11.25 69.295 41.381 1 9.25 ? CD1 TRP 179 A 1 +ATOM 1348 C CD2 TRP 179 . . A 1 -9.633 70.88 41.419 1 4.45 ? CD2 TRP 179 A 1 +ATOM 1349 N NE1 TRP 179 . . A 1 -11.899 70.487 41.223 1 8.77 ? NE1 TRP 179 A 1 +ATOM 1350 C CE2 TRP 179 . . A 1 -10.977 71.493 41.236 1 2.68 ? CE2 TRP 179 A 1 +ATOM 1351 C CE3 TRP 179 . . A 1 -8.5 71.697 41.465 1 2 ? CE3 TRP 179 A 1 +ATOM 1352 C CZ2 TRP 179 . . A 1 -11.1 72.872 41.112 1 2.18 ? CZ2 TRP 179 A 1 +ATOM 1353 C CZ3 TRP 179 . . A 1 -8.663 73.088 41.336 1 2.57 ? CZ3 TRP 179 A 1 +ATOM 1354 C CH2 TRP 179 . . A 1 -9.937 73.663 41.165 1 2 ? CH2 TRP 179 A 1 +ATOM 1355 N N VAL 180 . . A 1 -5.873 69.006 40.81 1 11.87 ? N VAL 180 A 1 +ATOM 1356 C CA VAL 180 . . A 1 -4.876 70.004 40.443 1 11.64 ? CA VAL 180 A 1 +ATOM 1357 C C VAL 180 . . A 1 -4.423 69.78 39.005 1 14.32 ? C VAL 180 A 1 +ATOM 1358 O O VAL 180 . . A 1 -4.296 70.711 38.218 1 14.72 ? O VAL 180 A 1 +ATOM 1359 C CB VAL 180 . . A 1 -3.729 69.94 41.459 1 5.95 ? CB VAL 180 A 1 +ATOM 1360 C CG1 VAL 180 . . A 1 -2.492 70.774 41.089 1 7.08 ? CG1 VAL 180 A 1 +ATOM 1361 C CG2 VAL 180 . . A 1 -4.286 70.381 42.817 1 9.69 ? CG2 VAL 180 A 1 +ATOM 1362 N N HIS 181 . . A 1 -4.209 68.51 38.675 1 15.12 ? N HIS 181 A 1 +ATOM 1363 C CA HIS 181 . . A 1 -3.773 68.124 37.336 1 17.44 ? CA HIS 181 A 1 +ATOM 1364 C C HIS 181 . . A 1 -4.755 68.548 36.26 1 17.59 ? C HIS 181 A 1 +ATOM 1365 O O HIS 181 . . A 1 -4.426 69.055 35.2 1 21.94 ? O HIS 181 A 1 +ATOM 1366 C CB HIS 181 . . A 1 -3.624 66.595 37.336 1 19.59 ? CB HIS 181 A 1 +ATOM 1367 C CG HIS 181 . . A 1 -3.014 66.035 36.074 1 25.78 ? CG HIS 181 A 1 +ATOM 1368 N ND1 HIS 181 . . A 1 -3.709 65.319 35.169 1 24.3 ? ND1 HIS 181 A 1 +ATOM 1369 C CD2 HIS 181 . . A 1 -1.65 66.07 35.68 1 30.09 ? CD2 HIS 181 A 1 +ATOM 1370 C CE1 HIS 181 . . A 1 -2.819 64.901 34.257 1 31.34 ? CE1 HIS 181 A 1 +ATOM 1371 N NE2 HIS 181 . . A 1 -1.573 65.342 34.544 1 35.14 ? NE2 HIS 181 A 1 +ATOM 1372 N N ASP 182 . . A 1 -6.016 68.345 36.586 1 16.68 ? N ASP 182 A 1 +ATOM 1373 C CA ASP 182 . . A 1 -7.076 68.676 35.656 1 17.41 ? CA ASP 182 A 1 +ATOM 1374 C C ASP 182 . . A 1 -7.573 70.11 35.729 1 19.32 ? C ASP 182 A 1 +ATOM 1375 O O ASP 182 . . A 1 -8.522 70.425 35.029 1 25.05 ? O ASP 182 A 1 +ATOM 1376 C CB ASP 182 . . A 1 -8.311 67.791 35.923 1 16.95 ? CB ASP 182 A 1 +ATOM 1377 C CG ASP 182 . . A 1 -8.047 66.296 35.756 1 24 ? CG ASP 182 A 1 +ATOM 1378 O OD1 ASP 182 . . A 1 -7.01 65.927 35.196 1 26.34 ? OD1 ASP 182 A 1 +ATOM 1379 O OD2 ASP 182 . . A 1 -8.894 65.503 36.173 1 23.74 ? OD2 ASP 182 A 1 +ATOM 1380 N N ASN 183 . . A 1 -7.035 70.994 36.574 1 14.46 ? N ASN 183 A 1 +ATOM 1381 C CA ASN 183 . . A 1 -7.651 72.321 36.518 1 9.77 ? CA ASN 183 A 1 +ATOM 1382 C C ASN 183 . . A 1 -6.696 73.42 36.867 1 14.26 ? C ASN 183 A 1 +ATOM 1383 O O ASN 183 . . A 1 -7.05 74.589 36.787 1 14.61 ? O ASN 183 A 1 +ATOM 1384 C CB ASN 183 . . A 1 -8.816 72.502 37.49 1 7.86 ? CB ASN 183 A 1 +ATOM 1385 C CG ASN 183 . . A 1 -9.939 71.512 37.343 1 13.76 ? CG ASN 183 A 1 +ATOM 1386 O OD1 ASN 183 . . A 1 -11.011 71.777 36.814 1 20.88 ? OD1 ASN 183 A 1 +ATOM 1387 N ND2 ASN 183 . . A 1 -9.696 70.337 37.881 1 19.16 ? ND2 ASN 183 A 1 +ATOM 1388 N N ILE 184 . . A 1 -5.451 73.094 37.22 1 15.04 ? N ILE 184 A 1 +ATOM 1389 C CA ILE 184 . . A 1 -4.58 74.188 37.591 1 15.27 ? CA ILE 184 A 1 +ATOM 1390 C C ILE 184 . . A 1 -4.324 75.187 36.459 1 20.74 ? C ILE 184 A 1 +ATOM 1391 O O ILE 184 . . A 1 -4.015 76.361 36.67 1 24.3 ? O ILE 184 A 1 +ATOM 1392 C CB ILE 184 . . A 1 -3.371 73.644 38.359 1 12.84 ? CB ILE 184 A 1 +ATOM 1393 C CG1 ILE 184 . . A 1 -2.721 74.747 39.222 1 14.79 ? CG1 ILE 184 A 1 +ATOM 1394 C CG2 ILE 184 . . A 1 -2.389 72.882 37.477 1 10.86 ? CG2 ILE 184 A 1 +ATOM 1395 C CD1 ILE 184 . . A 1 -3.634 75.214 40.373 1 14.42 ? CD1 ILE 184 A 1 +ATOM 1396 N N GLN 185 . . A 1 -4.498 74.683 35.222 1 21.09 ? N GLN 185 A 1 +ATOM 1397 C CA GLN 185 . . A 1 -4.327 75.498 34.02 1 18.39 ? CA GLN 185 A 1 +ATOM 1398 C C GLN 185 . . A 1 -5.223 76.718 34.082 1 18.63 ? C GLN 185 A 1 +ATOM 1399 O O GLN 185 . . A 1 -4.812 77.806 33.72 1 20.92 ? O GLN 185 A 1 +ATOM 1400 C CB GLN 185 . . A 1 -4.637 74.678 32.746 1 15.12 ? CB GLN 185 A 1 +ATOM 1401 C CG GLN 185 . . A 1 -5.989 73.945 32.83 1 19.6 ? CG GLN 185 A 1 +ATOM 1402 C CD GLN 185 . . A 1 -6.305 73.169 31.586 1 19.46 ? CD GLN 185 A 1 +ATOM 1403 O OE1 GLN 185 . . A 1 -6.282 71.952 31.557 1 24.41 ? OE1 GLN 185 A 1 +ATOM 1404 N NE2 GLN 185 . . A 1 -6.625 73.91 30.555 1 19.15 ? NE2 GLN 185 A 1 +ATOM 1405 N N PHE 186 . . A 1 -6.446 76.544 34.602 1 13.62 ? N PHE 186 A 1 +ATOM 1406 C CA PHE 186 . . A 1 -7.335 77.705 34.653 1 15.96 ? CA PHE 186 A 1 +ATOM 1407 C C PHE 186 . . A 1 -6.889 78.759 35.633 1 16.69 ? C PHE 186 A 1 +ATOM 1408 O O PHE 186 . . A 1 -7.435 79.855 35.684 1 18.51 ? O PHE 186 A 1 +ATOM 1409 C CB PHE 186 . . A 1 -8.799 77.332 34.931 1 18.39 ? CB PHE 186 A 1 +ATOM 1410 C CG PHE 186 . . A 1 -9.188 76.212 34.006 1 23.7 ? CG PHE 186 A 1 +ATOM 1411 C CD1 PHE 186 . . A 1 -9.287 76.437 32.624 1 23.43 ? CD1 PHE 186 A 1 +ATOM 1412 C CD2 PHE 186 . . A 1 -9.383 74.923 34.514 1 26.04 ? CD2 PHE 186 A 1 +ATOM 1413 C CE1 PHE 186 . . A 1 -9.56 75.372 31.761 1 22.42 ? CE1 PHE 186 A 1 +ATOM 1414 C CE2 PHE 186 . . A 1 -9.654 73.861 33.652 1 23.14 ? CE2 PHE 186 A 1 +ATOM 1415 C CZ PHE 186 . . A 1 -9.738 74.083 32.274 1 23.73 ? CZ PHE 186 A 1 +ATOM 1416 N N PHE 187 . . A 1 -5.879 78.411 36.429 1 15.55 ? N PHE 187 A 1 +ATOM 1417 C CA PHE 187 . . A 1 -5.357 79.346 37.407 1 14.1 ? CA PHE 187 A 1 +ATOM 1418 C C PHE 187 . . A 1 -3.978 79.81 36.991 1 13.32 ? C PHE 187 A 1 +ATOM 1419 O O PHE 187 . . A 1 -3.339 80.559 37.714 1 19.48 ? O PHE 187 A 1 +ATOM 1420 C CB PHE 187 . . A 1 -5.288 78.723 38.811 1 9.5 ? CB PHE 187 A 1 +ATOM 1421 C CG PHE 187 . . A 1 -6.641 78.3 39.334 1 4.66 ? CG PHE 187 A 1 +ATOM 1422 C CD1 PHE 187 . . A 1 -7.44 79.189 40.061 1 6.69 ? CD1 PHE 187 A 1 +ATOM 1423 C CD2 PHE 187 . . A 1 -7.114 76.999 39.104 1 6.8 ? CD2 PHE 187 A 1 +ATOM 1424 C CE1 PHE 187 . . A 1 -8.689 78.783 40.557 1 6.63 ? CE1 PHE 187 A 1 +ATOM 1425 C CE2 PHE 187 . . A 1 -8.361 76.586 39.595 1 5.03 ? CE2 PHE 187 A 1 +ATOM 1426 C CZ PHE 187 . . A 1 -9.154 77.48 40.325 1 3.61 ? CZ PHE 187 A 1 +ATOM 1427 N N GLY 188 . . A 1 -3.499 79.342 35.845 1 8.19 ? N GLY 188 A 1 +ATOM 1428 C CA GLY 188 . . A 1 -2.186 79.785 35.402 1 4.82 ? CA GLY 188 A 1 +ATOM 1429 C C GLY 188 . . A 1 -1.104 78.791 35.711 1 8.15 ? C GLY 188 A 1 +ATOM 1430 O O GLY 188 . . A 1 0.08 79.026 35.509 1 9.97 ? O GLY 188 A 1 +ATOM 1431 N N GLY 189 . . A 1 -1.481 77.614 36.203 1 8.79 ? N GLY 189 A 1 +ATOM 1432 C CA GLY 189 . . A 1 -0.411 76.673 36.528 1 13.76 ? CA GLY 189 A 1 +ATOM 1433 C C GLY 189 . . A 1 -0.188 75.661 35.446 1 16.62 ? C GLY 189 A 1 +ATOM 1434 O O GLY 189 . . A 1 -1.086 75.289 34.711 1 22.62 ? O GLY 189 A 1 +ATOM 1435 N N ASP 190 . . A 1 1.039 75.177 35.352 1 15.07 ? N ASP 190 A 1 +ATOM 1436 C CA ASP 190 . . A 1 1.391 74.193 34.349 1 13.98 ? CA ASP 190 A 1 +ATOM 1437 C C ASP 190 . . A 1 1.259 72.804 34.955 1 12.79 ? C ASP 190 A 1 +ATOM 1438 O O ASP 190 . . A 1 2.108 72.434 35.749 1 11.02 ? O ASP 190 A 1 +ATOM 1439 C CB ASP 190 . . A 1 2.866 74.426 33.998 1 15.65 ? CB ASP 190 A 1 +ATOM 1440 C CG ASP 190 . . A 1 3.469 73.435 33.006 1 23.99 ? CG ASP 190 A 1 +ATOM 1441 O OD1 ASP 190 . . A 1 2.841 72.443 32.626 1 21.26 ? OD1 ASP 190 A 1 +ATOM 1442 O OD2 ASP 190 . . A 1 4.602 73.669 32.608 1 34.62 ? OD2 ASP 190 A 1 +ATOM 1443 N N PRO 191 . . A 1 0.259 71.998 34.566 1 12.68 ? N PRO 191 A 1 +ATOM 1444 C CA PRO 191 . . A 1 0.122 70.66 35.15 1 16.22 ? CA PRO 191 A 1 +ATOM 1445 C C PRO 191 . . A 1 1.292 69.707 34.98 1 19 ? C PRO 191 A 1 +ATOM 1446 O O PRO 191 . . A 1 1.365 68.673 35.628 1 22.85 ? O PRO 191 A 1 +ATOM 1447 C CB PRO 191 . . A 1 -1.149 70.073 34.529 1 15.2 ? CB PRO 191 A 1 +ATOM 1448 C CG PRO 191 . . A 1 -1.519 71.005 33.364 1 13.76 ? CG PRO 191 A 1 +ATOM 1449 C CD PRO 191 . . A 1 -0.786 72.335 33.612 1 11.62 ? CD PRO 191 A 1 +ATOM 1450 N N LYS 192 . . A 1 2.204 70.064 34.084 1 21.61 ? N LYS 192 A 1 +ATOM 1451 C CA LYS 192 . . A 1 3.363 69.217 33.86 1 28.35 ? CA LYS 192 A 1 +ATOM 1452 C C LYS 192 . . A 1 4.542 69.661 34.684 1 27.64 ? C LYS 192 A 1 +ATOM 1453 O O LYS 192 . . A 1 5.659 69.192 34.486 1 23.51 ? O LYS 192 A 1 +ATOM 1454 C CB LYS 192 . . A 1 3.752 69.154 32.373 1 35.92 ? CB LYS 192 A 1 +ATOM 1455 C CG LYS 192 . . A 1 2.56 68.817 31.45 1 47.01 ? CG LYS 192 A 1 +ATOM 1456 C CD LYS 192 . . A 1 1.747 67.549 31.847 1 52.79 ? CD LYS 192 A 1 +ATOM 1457 C CE LYS 192 . . A 1 0.462 67.361 31.003 1 57.95 ? CE LYS 192 A 1 +ATOM 1458 N NZ LYS 192 . . A 1 -0.422 66.361 31.583 1 62 ? NZ LYS 192 A 1 +ATOM 1459 N N THR 193 . . A 1 4.303 70.605 35.598 1 29.06 ? N THR 193 A 1 +ATOM 1460 C CA THR 193 . . A 1 5.398 71.065 36.445 1 31.46 ? CA THR 193 A 1 +ATOM 1461 C C THR 193 . . A 1 4.927 71.348 37.86 1 28.81 ? C THR 193 A 1 +ATOM 1462 O O THR 193 . . A 1 5.159 72.434 38.382 1 30.32 ? O THR 193 A 1 +ATOM 1463 C CB THR 193 . . A 1 6.157 72.253 35.831 1 31.79 ? CB THR 193 A 1 +ATOM 1464 O OG1 THR 193 . . A 1 6.252 72.054 34.417 1 35.69 ? OG1 THR 193 A 1 +ATOM 1465 C CG2 THR 193 . . A 1 7.596 72.396 36.364 1 33.07 ? CG2 THR 193 A 1 +ATOM 1466 N N VAL 194 . . A 1 4.224 70.353 38.45 1 27.55 ? N VAL 194 A 1 +ATOM 1467 C CA VAL 194 . . A 1 3.775 70.498 39.821 1 23.61 ? CA VAL 194 A 1 +ATOM 1468 C C VAL 194 . . A 1 4.735 69.675 40.659 1 23.2 ? C VAL 194 A 1 +ATOM 1469 O O VAL 194 . . A 1 5.07 68.553 40.286 1 21.51 ? O VAL 194 A 1 +ATOM 1470 C CB VAL 194 . . A 1 2.301 70.058 40.037 1 18.62 ? CB VAL 194 A 1 +ATOM 1471 C CG1 VAL 194 . . A 1 1.364 70.532 38.913 1 23.81 ? CG1 VAL 194 A 1 +ATOM 1472 C CG2 VAL 194 . . A 1 2.127 68.549 40.147 1 18.56 ? CG2 VAL 194 A 1 +ATOM 1473 N N THR 195 . . A 1 5.167 70.242 41.773 1 24.74 ? N THR 195 A 1 +ATOM 1474 C CA THR 195 . . A 1 6.053 69.596 42.723 1 24.42 ? CA THR 195 A 1 +ATOM 1475 C C THR 195 . . A 1 5.24 69.404 44.033 1 21.5 ? C THR 195 A 1 +ATOM 1476 O O THR 195 . . A 1 4.592 70.33 44.517 1 23.06 ? O THR 195 A 1 +ATOM 1477 C CB THR 195 . . A 1 7.246 70.554 42.929 1 25.9 ? CB THR 195 A 1 +ATOM 1478 O OG1 THR 195 . . A 1 7.944 70.758 41.698 1 26.7 ? OG1 THR 195 A 1 +ATOM 1479 C CG2 THR 195 . . A 1 8.274 70.117 43.978 1 23.91 ? CG2 THR 195 A 1 +ATOM 1480 N N ILE 196 . . A 1 5.234 68.191 44.586 1 17.85 ? N ILE 196 A 1 +ATOM 1481 C CA ILE 196 . . A 1 4.52 68.008 45.837 1 13.44 ? CA ILE 196 A 1 +ATOM 1482 C C ILE 196 . . A 1 5.592 68.167 46.934 1 17.35 ? C ILE 196 A 1 +ATOM 1483 O O ILE 196 . . A 1 6.678 67.597 46.804 1 19.81 ? O ILE 196 A 1 +ATOM 1484 C CB ILE 196 . . A 1 3.856 66.618 45.882 1 4.26 ? CB ILE 196 A 1 +ATOM 1485 C CG1 ILE 196 . . A 1 4.785 65.463 45.468 1 2 ? CG1 ILE 196 A 1 +ATOM 1486 C CG2 ILE 196 . . A 1 2.594 66.612 45.039 1 3.52 ? CG2 ILE 196 A 1 +ATOM 1487 C CD1 ILE 196 . . A 1 4.19 64.075 45.727 1 2 ? CD1 ILE 196 A 1 +ATOM 1488 N N PHE 197 . . A 1 5.316 68.96 47.982 1 16.41 ? N PHE 197 A 1 +ATOM 1489 C CA PHE 197 . . A 1 6.277 69.12 49.077 1 15.7 ? CA PHE 197 A 1 +ATOM 1490 C C PHE 197 . . A 1 5.505 68.817 50.347 1 16.69 ? C PHE 197 A 1 +ATOM 1491 O O PHE 197 . . A 1 4.294 68.99 50.354 1 20.3 ? O PHE 197 A 1 +ATOM 1492 C CB PHE 197 . . A 1 7.093 70.444 49.051 1 14.78 ? CB PHE 197 A 1 +ATOM 1493 C CG PHE 197 . . A 1 6.459 71.814 49.265 1 11.75 ? CG PHE 197 A 1 +ATOM 1494 C CD1 PHE 197 . . A 1 5.179 72.144 48.782 1 8.99 ? CD1 PHE 197 A 1 +ATOM 1495 C CD2 PHE 197 . . A 1 7.204 72.808 49.944 1 6.26 ? CD2 PHE 197 A 1 +ATOM 1496 C CE1 PHE 197 . . A 1 4.653 73.437 48.985 1 9.05 ? CE1 PHE 197 A 1 +ATOM 1497 C CE2 PHE 197 . . A 1 6.683 74.095 50.142 1 5.01 ? CE2 PHE 197 A 1 +ATOM 1498 C CZ PHE 197 . . A 1 5.4 74.412 49.668 1 4.37 ? CZ PHE 197 A 1 +ATOM 1499 N N GLY 198 . . A 1 6.169 68.335 51.407 1 17.51 ? N GLY 198 A 1 +ATOM 1500 C CA GLY 198 . . A 1 5.44 68.026 52.652 1 14.35 ? CA GLY 198 A 1 +ATOM 1501 C C GLY 198 . . A 1 6.441 67.752 53.757 1 12.67 ? C GLY 198 A 1 +ATOM 1502 O O GLY 198 . . A 1 7.595 67.431 53.481 1 7.51 ? O GLY 198 A 1 +ATOM 1503 N N GLU 199 . . A 1 6.002 67.858 55.024 1 13.87 ? N GLU 199 A 1 +ATOM 1504 C CA GLU 199 . . A 1 6.901 67.638 56.174 1 11.81 ? CA GLU 199 A 1 +ATOM 1505 C C GLU 199 . . A 1 6.361 66.609 57.156 1 12.2 ? C GLU 199 A 1 +ATOM 1506 O O GLU 199 . . A 1 5.153 66.503 57.326 1 13.4 ? O GLU 199 A 1 +ATOM 1507 C CB GLU 199 . . A 1 7.09 68.986 56.878 1 11 ? CB GLU 199 A 1 +ATOM 1508 C CG GLU 199 . . A 1 8.063 69.009 58.069 1 16 ? CG GLU 199 A 1 +ATOM 1509 C CD GLU 199 . . A 1 7.362 68.769 59.401 1 15.2 ? CD GLU 199 A 1 +ATOM 1510 O OE1 GLU 199 . . A 1 6.154 68.632 59.412 1 17.52 ? OE1 GLU 199 A 1 +ATOM 1511 O OE2 GLU 199 . . A 1 8.012 68.711 60.431 1 11.72 ? OE2 GLU 199 A 1 +ATOM 1512 N N SER 200 . . A 1 7.242 65.857 57.833 1 11.87 ? N SER 200 A 1 +ATOM 1513 C CA SER 200 . . A 1 6.778 64.855 58.793 1 12.54 ? CA SER 200 A 1 +ATOM 1514 C C SER 200 . . A 1 5.938 63.86 58.001 1 12.69 ? C SER 200 A 1 +ATOM 1515 O O SER 200 . . A 1 6.403 63.292 57.025 1 15.4 ? O SER 200 A 1 +ATOM 1516 C CB SER 200 . . A 1 6.151 65.519 60.05 1 13.3 ? CB SER 200 A 1 +ATOM 1517 O OG SER 200 . . A 1 5.634 64.653 61.093 1 21.59 ? OG SER 200 A 1 +ATOM 1518 N N ALA 201 . . A 1 4.675 63.68 58.393 1 11.48 ? N ALA 201 A 1 +ATOM 1519 C CA ALA 201 . . A 1 3.821 62.741 57.676 1 10.52 ? CA ALA 201 A 1 +ATOM 1520 C C ALA 201 . . A 1 3.596 63.203 56.25 1 13.66 ? C ALA 201 A 1 +ATOM 1521 O O ALA 201 . . A 1 3.349 62.402 55.369 1 17.28 ? O ALA 201 A 1 +ATOM 1522 C CB ALA 201 . . A 1 2.477 62.545 58.374 1 10.33 ? CB ALA 201 A 1 +ATOM 1523 N N GLY 202 . . A 1 3.704 64.518 56.03 1 12.24 ? N GLY 202 A 1 +ATOM 1524 C CA GLY 202 . . A 1 3.539 65.025 54.675 1 12.84 ? CA GLY 202 A 1 +ATOM 1525 C C GLY 202 . . A 1 4.71 64.547 53.834 1 14.34 ? C GLY 202 A 1 +ATOM 1526 O O GLY 202 . . A 1 4.568 64 52.754 1 18.23 ? O GLY 202 A 1 +ATOM 1527 N N GLY 203 . . A 1 5.918 64.706 54.373 1 9.95 ? N GLY 203 A 1 +ATOM 1528 C CA GLY 203 . . A 1 7.081 64.248 53.628 1 6.16 ? CA GLY 203 A 1 +ATOM 1529 C C GLY 203 . . A 1 7.043 62.74 53.414 1 3.97 ? C GLY 203 A 1 +ATOM 1530 O O GLY 203 . . A 1 7.506 62.188 52.429 1 7.91 ? O GLY 203 A 1 +ATOM 1531 N N ALA 204 . . A 1 6.469 62.029 54.374 1 4.18 ? N ALA 204 A 1 +ATOM 1532 C CA ALA 204 . . A 1 6.396 60.587 54.173 1 5.94 ? CA ALA 204 A 1 +ATOM 1533 C C ALA 204 . . A 1 5.338 60.269 53.101 1 6.82 ? C ALA 204 A 1 +ATOM 1534 O O ALA 204 . . A 1 5.487 59.338 52.319 1 10.15 ? O ALA 204 A 1 +ATOM 1535 C CB ALA 204 . . A 1 6.106 59.837 55.485 1 4.71 ? CB ALA 204 A 1 +ATOM 1536 N N SER 205 . . A 1 4.261 61.055 53.073 1 5.33 ? N SER 205 A 1 +ATOM 1537 C CA SER 205 . . A 1 3.218 60.858 52.077 1 5.86 ? CA SER 205 A 1 +ATOM 1538 C C SER 205 . . A 1 3.78 61.076 50.653 1 8.2 ? C SER 205 A 1 +ATOM 1539 O O SER 205 . . A 1 3.547 60.32 49.715 1 8.05 ? O SER 205 A 1 +ATOM 1540 C CB SER 205 . . A 1 2.075 61.857 52.346 1 7.72 ? CB SER 205 A 1 +ATOM 1541 O OG SER 205 . . A 1 1.365 61.451 53.513 1 5.9 ? OG SER 205 A 1 +ATOM 1542 N N VAL 206 . . A 1 4.566 62.146 50.515 1 6.12 ? N VAL 206 A 1 +ATOM 1543 C CA VAL 206 . . A 1 5.196 62.469 49.256 1 2 ? CA VAL 206 A 1 +ATOM 1544 C C VAL 206 . . A 1 5.972 61.252 48.764 1 3.78 ? C VAL 206 A 1 +ATOM 1545 O O VAL 206 . . A 1 5.787 60.752 47.665 1 11.42 ? O VAL 206 A 1 +ATOM 1546 C CB VAL 206 . . A 1 6.055 63.713 49.507 1 2 ? CB VAL 206 A 1 +ATOM 1547 C CG1 VAL 206 . . A 1 7.097 63.956 48.444 1 2 ? CG1 VAL 206 A 1 +ATOM 1548 C CG2 VAL 206 . . A 1 5.182 64.976 49.697 1 2 ? CG2 VAL 206 A 1 +ATOM 1549 N N GLY 207 . . A 1 6.842 60.733 49.604 1 4.92 ? N GLY 207 A 1 +ATOM 1550 C CA GLY 207 . . A 1 7.56 59.553 49.153 1 5.92 ? CA GLY 207 A 1 +ATOM 1551 C C GLY 207 . . A 1 6.625 58.386 48.855 1 8.28 ? C GLY 207 A 1 +ATOM 1552 O O GLY 207 . . A 1 6.941 57.511 48.058 1 10.84 ? O GLY 207 A 1 +ATOM 1553 N N MET 208 . . A 1 5.454 58.37 49.497 1 7.2 ? N MET 208 A 1 +ATOM 1554 C CA MET 208 . . A 1 4.528 57.283 49.206 1 13.02 ? CA MET 208 A 1 +ATOM 1555 C C MET 208 . . A 1 3.913 57.475 47.828 1 14.81 ? C MET 208 A 1 +ATOM 1556 O O MET 208 . . A 1 3.509 56.511 47.199 1 18.28 ? O MET 208 A 1 +ATOM 1557 C CB MET 208 . . A 1 3.466 57.097 50.302 1 12.68 ? CB MET 208 A 1 +ATOM 1558 C CG MET 208 . . A 1 4.136 56.577 51.591 1 17.91 ? CG MET 208 A 1 +ATOM 1559 S SD MET 208 . . A 1 3.052 56.711 53.03 1 20.21 ? SD MET 208 A 1 +ATOM 1560 C CE MET 208 . . A 1 3.906 55.526 54.098 1 20.24 ? CE MET 208 A 1 +ATOM 1561 N N HIS 209 . . A 1 3.848 58.718 47.34 1 14.66 ? N HIS 209 A 1 +ATOM 1562 C CA HIS 209 . . A 1 3.291 58.947 45.996 1 11.19 ? CA HIS 209 A 1 +ATOM 1563 C C HIS 209 . . A 1 4.358 58.572 44.978 1 11.42 ? C HIS 209 A 1 +ATOM 1564 O O HIS 209 . . A 1 4.084 58.017 43.928 1 14.54 ? O HIS 209 A 1 +ATOM 1565 C CB HIS 209 . . A 1 2.747 60.365 45.814 1 5.09 ? CB HIS 209 A 1 +ATOM 1566 C CG HIS 209 . . A 1 1.485 60.551 46.643 1 10.19 ? CG HIS 209 A 1 +ATOM 1567 N ND1 HIS 209 . . A 1 1.229 61.615 47.439 1 6.95 ? ND1 HIS 209 A 1 +ATOM 1568 C CD2 HIS 209 . . A 1 0.35 59.703 46.712 1 11.14 ? CD2 HIS 209 A 1 +ATOM 1569 C CE1 HIS 209 . . A 1 -0.001 61.438 47.94 1 5.74 ? CE1 HIS 209 A 1 +ATOM 1570 N NE2 HIS 209 . . A 1 -0.557 60.293 47.518 1 9.38 ? NE2 HIS 209 A 1 +ATOM 1571 N N ILE 210 . . A 1 5.61 58.86 45.305 1 6.53 ? N ILE 210 A 1 +ATOM 1572 C CA ILE 210 . . A 1 6.673 58.44 44.411 1 3.94 ? CA ILE 210 A 1 +ATOM 1573 C C ILE 210 . . A 1 6.668 56.913 44.266 1 5.37 ? C ILE 210 A 1 +ATOM 1574 O O ILE 210 . . A 1 7.18 56.4 43.284 1 6.16 ? O ILE 210 A 1 +ATOM 1575 C CB ILE 210 . . A 1 8.032 58.884 45.019 1 2 ? CB ILE 210 A 1 +ATOM 1576 C CG1 ILE 210 . . A 1 8.188 60.403 44.963 1 2 ? CG1 ILE 210 A 1 +ATOM 1577 C CG2 ILE 210 . . A 1 9.267 58.176 44.438 1 2 ? CG2 ILE 210 A 1 +ATOM 1578 C CD1 ILE 210 . . A 1 9.641 60.86 45.13 1 2 ? CD1 ILE 210 A 1 +ATOM 1579 N N LEU 211 . . A 1 6.136 56.196 45.27 1 9.23 ? N LEU 211 A 1 +ATOM 1580 C CA LEU 211 . . A 1 6.13 54.723 45.227 1 11.06 ? CA LEU 211 A 1 +ATOM 1581 C C LEU 211 . . A 1 4.86 54.134 44.636 1 10.95 ? C LEU 211 A 1 +ATOM 1582 O O LEU 211 . . A 1 4.847 53.175 43.886 1 11.23 ? O LEU 211 A 1 +ATOM 1583 C CB LEU 211 . . A 1 6.248 54.128 46.66 1 12.8 ? CB LEU 211 A 1 +ATOM 1584 C CG LEU 211 . . A 1 7.587 54.369 47.402 1 13.52 ? CG LEU 211 A 1 +ATOM 1585 C CD1 LEU 211 . . A 1 7.445 54.183 48.916 1 17.51 ? CD1 LEU 211 A 1 +ATOM 1586 C CD2 LEU 211 . . A 1 8.665 53.413 46.916 1 12.1 ? CD2 LEU 211 A 1 +ATOM 1587 N N SER 212 . . A 1 3.736 54.704 45.013 1 14.7 ? N SER 212 A 1 +ATOM 1588 C CA SER 212 . . A 1 2.476 54.173 44.523 1 14.5 ? CA SER 212 A 1 +ATOM 1589 C C SER 212 . . A 1 2.337 54.386 43.025 1 21.75 ? C SER 212 A 1 +ATOM 1590 O O SER 212 . . A 1 2.259 55.534 42.568 1 21.93 ? O SER 212 A 1 +ATOM 1591 C CB SER 212 . . A 1 1.355 54.934 45.211 1 15.12 ? CB SER 212 A 1 +ATOM 1592 O OG SER 212 . . A 1 0.118 54.303 44.978 1 13.22 ? OG SER 212 A 1 +ATOM 1593 N N PRO 213 . . A 1 2.192 53.264 42.271 1 23.23 ? N PRO 213 A 1 +ATOM 1594 C CA PRO 213 . . A 1 1.945 53.349 40.829 1 21.02 ? CA PRO 213 A 1 +ATOM 1595 C C PRO 213 . . A 1 0.849 54.321 40.459 1 19.13 ? C PRO 213 A 1 +ATOM 1596 O O PRO 213 . . A 1 1.017 55.184 39.612 1 27.56 ? O PRO 213 A 1 +ATOM 1597 C CB PRO 213 . . A 1 1.602 51.919 40.393 1 20.29 ? CB PRO 213 A 1 +ATOM 1598 C CG PRO 213 . . A 1 2.09 51.014 41.535 1 28 ? CG PRO 213 A 1 +ATOM 1599 C CD PRO 213 . . A 1 2.252 51.897 42.783 1 25.05 ? CD PRO 213 A 1 +ATOM 1600 N N GLY 214 . . A 1 -0.279 54.169 41.142 1 14.82 ? N GLY 214 A 1 +ATOM 1601 C CA GLY 214 . . A 1 -1.396 55.057 40.855 1 11.73 ? CA GLY 214 A 1 +ATOM 1602 C C GLY 214 . . A 1 -1.131 56.562 40.981 1 16.73 ? C GLY 214 A 1 +ATOM 1603 O O GLY 214 . . A 1 -1.838 57.366 40.392 1 18.79 ? O GLY 214 A 1 +ATOM 1604 N N SER 215 . . A 1 -0.12 56.979 41.746 1 17.16 ? N SER 215 A 1 +ATOM 1605 C CA SER 215 . . A 1 0.068 58.425 41.839 1 16.69 ? CA SER 215 A 1 +ATOM 1606 C C SER 215 . . A 1 1.252 58.958 41.067 1 16.13 ? C SER 215 A 1 +ATOM 1607 O O SER 215 . . A 1 1.328 60.161 40.835 1 15.15 ? O SER 215 A 1 +ATOM 1608 C CB SER 215 . . A 1 0.333 58.824 43.298 1 18.02 ? CB SER 215 A 1 +ATOM 1609 O OG SER 215 . . A 1 -0.78 58.428 44.069 1 16.1 ? OG SER 215 A 1 +ATOM 1610 N N ARG 216 . . A 1 2.166 58.067 40.662 1 11.76 ? N ARG 216 A 1 +ATOM 1611 C CA ARG 216 . . A 1 3.365 58.553 39.993 1 7.47 ? CA ARG 216 A 1 +ATOM 1612 C C ARG 216 . . A 1 3.154 59.544 38.901 1 12.43 ? C ARG 216 A 1 +ATOM 1613 O O ARG 216 . . A 1 4.003 60.381 38.658 1 13.54 ? O ARG 216 A 1 +ATOM 1614 C CB ARG 216 . . A 1 4.172 57.414 39.365 1 3.07 ? CB ARG 216 A 1 +ATOM 1615 C CG ARG 216 . . A 1 4.511 56.315 40.358 1 4.23 ? CG ARG 216 A 1 +ATOM 1616 C CD ARG 216 . . A 1 5.389 55.216 39.79 1 3.04 ? CD ARG 216 A 1 +ATOM 1617 N NE ARG 216 . . A 1 5.359 54.129 40.725 1 5.69 ? NE ARG 216 A 1 +ATOM 1618 C CZ ARG 216 . . A 1 5.964 52.959 40.55 1 11.34 ? CZ ARG 216 A 1 +ATOM 1619 N NH1 ARG 216 . . A 1 6.79 52.725 39.536 1 14.95 ? NH1 ARG 216 A 1 +ATOM 1620 N NH2 ARG 216 . . A 1 5.701 52.009 41.433 1 13.59 ? NH2 ARG 216 A 1 +ATOM 1621 N N ASP 217 . . A 1 2 59.449 38.236 1 15 ? N ASP 217 A 1 +ATOM 1622 C CA ASP 217 . . A 1 1.829 60.353 37.105 1 19.24 ? CA ASP 217 A 1 +ATOM 1623 C C ASP 217 . . A 1 1.248 61.74 37.367 1 18.74 ? C ASP 217 A 1 +ATOM 1624 O O ASP 217 . . A 1 1.229 62.518 36.421 1 21.91 ? O ASP 217 A 1 +ATOM 1625 C CB ASP 217 . . A 1 0.959 59.675 36.016 1 23.06 ? CB ASP 217 A 1 +ATOM 1626 C CG ASP 217 . . A 1 1.414 58.278 35.549 1 25.62 ? CG ASP 217 A 1 +ATOM 1627 O OD1 ASP 217 . . A 1 2.548 57.88 35.829 1 22.78 ? OD1 ASP 217 A 1 +ATOM 1628 O OD2 ASP 217 . . A 1 0.623 57.592 34.893 1 22.82 ? OD2 ASP 217 A 1 +ATOM 1629 N N LEU 218 . . A 1 0.777 62.06 38.588 1 16.28 ? N LEU 218 A 1 +ATOM 1630 C CA LEU 218 . . A 1 0.167 63.379 38.791 1 7.33 ? CA LEU 218 A 1 +ATOM 1631 C C LEU 218 . . A 1 1.103 64.435 39.32 1 6.79 ? C LEU 218 A 1 +ATOM 1632 O O LEU 218 . . A 1 0.637 65.48 39.781 1 8.66 ? O LEU 218 A 1 +ATOM 1633 C CB LEU 218 . . A 1 -1.065 63.315 39.71 1 4.41 ? CB LEU 218 A 1 +ATOM 1634 C CG LEU 218 . . A 1 -2.056 62.222 39.286 1 5.15 ? CG LEU 218 A 1 +ATOM 1635 C CD1 LEU 218 . . A 1 -1.925 61.003 40.179 1 12.78 ? CD1 LEU 218 A 1 +ATOM 1636 C CD2 LEU 218 . . A 1 -3.501 62.692 39.304 1 9.62 ? CD2 LEU 218 A 1 +ATOM 1637 N N PHE 219 . . A 1 2.408 64.162 39.3 1 2 ? N PHE 219 A 1 +ATOM 1638 C CA PHE 219 . . A 1 3.315 65.184 39.796 1 3.78 ? CA PHE 219 A 1 +ATOM 1639 C C PHE 219 . . A 1 4.652 64.96 39.09 1 6.87 ? C PHE 219 A 1 +ATOM 1640 O O PHE 219 . . A 1 4.892 63.889 38.535 1 2 ? O PHE 219 A 1 +ATOM 1641 C CB PHE 219 . . A 1 3.368 65.195 41.347 1 3.53 ? CB PHE 219 A 1 +ATOM 1642 C CG PHE 219 . . A 1 3.986 63.928 41.898 1 2 ? CG PHE 219 A 1 +ATOM 1643 C CD1 PHE 219 . . A 1 3.212 62.771 42.06 1 2 ? CD1 PHE 219 A 1 +ATOM 1644 C CD2 PHE 219 . . A 1 5.364 63.892 42.168 1 2 ? CD2 PHE 219 A 1 +ATOM 1645 C CE1 PHE 219 . . A 1 3.828 61.581 42.454 1 2 ? CE1 PHE 219 A 1 +ATOM 1646 C CE2 PHE 219 . . A 1 5.977 62.707 42.564 1 2 ? CE2 PHE 219 A 1 +ATOM 1647 C CZ PHE 219 . . A 1 5.206 61.55 42.701 1 2 ? CZ PHE 219 A 1 +ATOM 1648 N N ARG 220 . . A 1 5.515 65.991 39.12 1 6.39 ? N ARG 220 A 1 +ATOM 1649 C CA ARG 220 . . A 1 6.808 65.884 38.44 1 9.97 ? CA ARG 220 A 1 +ATOM 1650 C C ARG 220 . . A 1 7.912 65.556 39.397 1 14.43 ? C ARG 220 A 1 +ATOM 1651 O O ARG 220 . . A 1 8.466 64.473 39.36 1 18.16 ? O ARG 220 A 1 +ATOM 1652 C CB ARG 220 . . A 1 7.108 67.173 37.64 1 12.04 ? CB ARG 220 A 1 +ATOM 1653 C CG ARG 220 . . A 1 8.271 67.027 36.635 1 15.91 ? CG ARG 220 A 1 +ATOM 1654 C CD ARG 220 . . A 1 8 67.797 35.337 1 19.43 ? CD ARG 220 A 1 +ATOM 1655 N NE ARG 220 . . A 1 9.148 67.726 34.445 1 22.8 ? NE ARG 220 A 1 +ATOM 1656 C CZ ARG 220 . . A 1 9.27 68.564 33.4 1 22.42 ? CZ ARG 220 A 1 +ATOM 1657 N NH1 ARG 220 . . A 1 8.375 69.516 33.153 1 20.61 ? NH1 ARG 220 A 1 +ATOM 1658 N NH2 ARG 220 . . A 1 10.321 68.455 32.605 1 25.46 ? NH2 ARG 220 A 1 +ATOM 1659 N N ARG 221 . . A 1 8.195 66.527 40.276 1 17.89 ? N ARG 221 A 1 +ATOM 1660 C CA ARG 221 . . A 1 9.258 66.383 41.266 1 17.22 ? CA ARG 221 A 1 +ATOM 1661 C C ARG 221 . . A 1 8.644 66.313 42.658 1 17.46 ? C ARG 221 A 1 +ATOM 1662 O O ARG 221 . . A 1 7.445 66.512 42.819 1 17.58 ? O ARG 221 A 1 +ATOM 1663 C CB ARG 221 . . A 1 10.161 67.625 41.216 1 19.05 ? CB ARG 221 A 1 +ATOM 1664 C CG ARG 221 . . A 1 10.647 68.028 39.816 1 16.37 ? CG ARG 221 A 1 +ATOM 1665 C CD ARG 221 . . A 1 11.06 69.518 39.785 1 28.68 ? CD ARG 221 A 1 +ATOM 1666 N NE ARG 221 . . A 1 10.931 70.103 38.46 1 33.55 ? NE ARG 221 A 1 +ATOM 1667 C CZ ARG 221 . . A 1 11.679 69.665 37.455 1 35.29 ? CZ ARG 221 A 1 +ATOM 1668 N NH1 ARG 221 . . A 1 12.631 68.772 37.692 1 34.37 ? NH1 ARG 221 A 1 +ATOM 1669 N NH2 ARG 221 . . A 1 11.456 70.112 36.218 1 36.84 ? NH2 ARG 221 A 1 +ATOM 1670 N N ALA 222 . . A 1 9.486 66.088 43.675 1 15.7 ? N ALA 222 A 1 +ATOM 1671 C CA ALA 222 . . A 1 8.963 66.034 45.036 1 13.29 ? CA ALA 222 A 1 +ATOM 1672 C C ALA 222 . . A 1 10.009 66.556 46.017 1 13.23 ? C ALA 222 A 1 +ATOM 1673 O O ALA 222 . . A 1 11.2 66.445 45.737 1 14.05 ? O ALA 222 A 1 +ATOM 1674 C CB ALA 222 . . A 1 8.669 64.583 45.397 1 9.62 ? CB ALA 222 A 1 +ATOM 1675 N N ILE 223 . . A 1 9.543 67.114 47.149 1 13.4 ? N ILE 223 A 1 +ATOM 1676 C CA ILE 223 . . A 1 10.397 67.622 48.233 1 11.2 ? CA ILE 223 A 1 +ATOM 1677 C C ILE 223 . . A 1 9.9 66.909 49.494 1 11.06 ? C ILE 223 A 1 +ATOM 1678 O O ILE 223 . . A 1 8.696 66.894 49.755 1 9.43 ? O ILE 223 A 1 +ATOM 1679 C CB ILE 223 . . A 1 10.267 69.139 48.446 1 7.01 ? CB ILE 223 A 1 +ATOM 1680 C CG1 ILE 223 . . A 1 10.63 69.951 47.196 1 8.53 ? CG1 ILE 223 A 1 +ATOM 1681 C CG2 ILE 223 . . A 1 11.073 69.602 49.656 1 6.83 ? CG2 ILE 223 A 1 +ATOM 1682 C CD1 ILE 223 . . A 1 10.706 71.477 47.4 1 2 ? CD1 ILE 223 A 1 +ATOM 1683 N N LEU 224 . . A 1 10.832 66.364 50.282 1 10.82 ? N LEU 224 A 1 +ATOM 1684 C CA LEU 224 . . A 1 10.454 65.636 51.504 1 10.14 ? CA LEU 224 A 1 +ATOM 1685 C C LEU 224 . . A 1 11.186 66.286 52.662 1 7.47 ? C LEU 224 A 1 +ATOM 1686 O O LEU 224 . . A 1 12.407 66.353 52.657 1 8.76 ? O LEU 224 A 1 +ATOM 1687 C CB LEU 224 . . A 1 10.856 64.138 51.432 1 9.75 ? CB LEU 224 A 1 +ATOM 1688 C CG LEU 224 . . A 1 10.162 63.329 50.311 1 4.79 ? CG LEU 224 A 1 +ATOM 1689 C CD1 LEU 224 . . A 1 10.817 63.512 48.939 1 5.18 ? CD1 LEU 224 A 1 +ATOM 1690 C CD2 LEU 224 . . A 1 10.126 61.833 50.641 1 2 ? CD2 LEU 224 A 1 +ATOM 1691 N N GLN 225 . . A 1 10.441 66.772 53.661 1 6.25 ? N GLN 225 A 1 +ATOM 1692 C CA GLN 225 . . A 1 11.071 67.435 54.809 1 5.17 ? CA GLN 225 A 1 +ATOM 1693 C C GLN 225 . . A 1 10.84 66.6 56.068 1 5.65 ? C GLN 225 A 1 +ATOM 1694 O O GLN 225 . . A 1 9.703 66.387 56.488 1 4.29 ? O GLN 225 A 1 +ATOM 1695 C CB GLN 225 . . A 1 10.491 68.867 54.981 1 6.19 ? CB GLN 225 A 1 +ATOM 1696 C CG GLN 225 . . A 1 10.039 69.499 53.638 1 9.69 ? CG GLN 225 A 1 +ATOM 1697 C CD GLN 225 . . A 1 9.983 71.001 53.631 1 7.42 ? CD GLN 225 A 1 +ATOM 1698 O OE1 GLN 225 . . A 1 8.963 71.66 53.579 1 11.52 ? OE1 GLN 225 A 1 +ATOM 1699 N NE2 GLN 225 . . A 1 11.165 71.555 53.655 1 14.31 ? NE2 GLN 225 A 1 +ATOM 1700 N N SER 226 . . A 1 11.935 66.119 56.667 1 7.22 ? N SER 226 A 1 +ATOM 1701 C CA SER 226 . . A 1 11.87 65.309 57.882 1 7.97 ? CA SER 226 A 1 +ATOM 1702 C C SER 226 . . A 1 10.855 64.187 57.79 1 9.27 ? C SER 226 A 1 +ATOM 1703 O O SER 226 . . A 1 10.069 63.996 58.704 1 14.08 ? O SER 226 A 1 +ATOM 1704 C CB SER 226 . . A 1 11.509 66.207 59.087 1 9.13 ? CB SER 226 A 1 +ATOM 1705 O OG SER 226 . . A 1 12.345 67.38 59.155 1 17.16 ? OG SER 226 A 1 +ATOM 1706 N N GLY 227 . . A 1 10.841 63.453 56.686 1 9.93 ? N GLY 227 A 1 +ATOM 1707 C CA GLY 227 . . A 1 9.866 62.365 56.553 1 10 ? CA GLY 227 A 1 +ATOM 1708 C C GLY 227 . . A 1 10.398 61.422 55.485 1 9.65 ? C GLY 227 A 1 +ATOM 1709 O O GLY 227 . . A 1 11.241 61.798 54.678 1 9.92 ? O GLY 227 A 1 +ATOM 1710 N N SER 228 . . A 1 9.934 60.186 55.475 1 4.61 ? N SER 228 A 1 +ATOM 1711 C CA SER 228 . . A 1 10.456 59.283 54.477 1 4.86 ? CA SER 228 A 1 +ATOM 1712 C C SER 228 . . A 1 9.499 58.143 54.546 1 8.96 ? C SER 228 A 1 +ATOM 1713 O O SER 228 . . A 1 9.098 57.836 55.653 1 14.21 ? O SER 228 A 1 +ATOM 1714 C CB SER 228 . . A 1 11.86 58.847 54.901 1 2.4 ? CB SER 228 A 1 +ATOM 1715 O OG SER 228 . . A 1 12.576 58.342 53.834 1 10.54 ? OG SER 228 A 1 +ATOM 1716 N N PRO 229 . . A 1 9.076 57.527 53.426 1 11.99 ? N PRO 229 A 1 +ATOM 1717 C CA PRO 229 . . A 1 7.931 56.615 53.484 1 9.6 ? CA PRO 229 A 1 +ATOM 1718 C C PRO 229 . . A 1 8.277 55.397 54.298 1 7.79 ? C PRO 229 A 1 +ATOM 1719 O O PRO 229 . . A 1 7.446 54.725 54.874 1 10.9 ? O PRO 229 A 1 +ATOM 1720 C CB PRO 229 . . A 1 7.694 56.249 52.014 1 10.02 ? CB PRO 229 A 1 +ATOM 1721 C CG PRO 229 . . A 1 9.027 56.508 51.286 1 11.62 ? CG PRO 229 A 1 +ATOM 1722 C CD PRO 229 . . A 1 9.709 57.613 52.107 1 11.57 ? CD PRO 229 A 1 +ATOM 1723 N N ASN 230 . . A 1 9.573 55.114 54.322 1 7.25 ? N ASN 230 A 1 +ATOM 1724 C CA ASN 230 . . A 1 10.101 53.963 55.035 1 6.94 ? CA ASN 230 A 1 +ATOM 1725 C C ASN 230 . . A 1 10.359 54.238 56.512 1 9.37 ? C ASN 230 A 1 +ATOM 1726 O O ASN 230 . . A 1 10.986 53.433 57.193 1 15.47 ? O ASN 230 A 1 +ATOM 1727 C CB ASN 230 . . A 1 11.407 53.456 54.369 1 2 ? CB ASN 230 A 1 +ATOM 1728 C CG ASN 230 . . A 1 12.516 54.501 54.448 1 6.77 ? CG ASN 230 A 1 +ATOM 1729 O OD1 ASN 230 . . A 1 12.303 55.69 54.241 1 2 ? OD1 ASN 230 A 1 +ATOM 1730 N ND2 ASN 230 . . A 1 13.72 54.047 54.77 1 11.81 ? ND2 ASN 230 A 1 +ATOM 1731 N N CYS 231 . . A 1 9.937 55.401 57.009 1 7.38 ? N CYS 231 A 1 +ATOM 1732 C CA CYS 231 . . A 1 10.172 55.654 58.423 1 5.55 ? CA CYS 231 A 1 +ATOM 1733 C C CYS 231 . . A 1 9.274 54.707 59.206 1 7.9 ? C CYS 231 A 1 +ATOM 1734 O O CYS 231 . . A 1 8.155 54.482 58.758 1 6.82 ? O CYS 231 A 1 +ATOM 1735 C CB CYS 231 . . A 1 9.735 57.072 58.763 1 2.72 ? CB CYS 231 A 1 +ATOM 1736 S SG CYS 231 . . A 1 10.98 58.262 58.302 1 16.21 ? SG CYS 231 A 1 +ATOM 1737 N N PRO 232 . . A 1 9.742 54.211 60.387 1 6.94 ? N PRO 232 A 1 +ATOM 1738 C CA PRO 232 . . A 1 9.078 53.113 61.078 1 6.07 ? CA PRO 232 A 1 +ATOM 1739 C C PRO 232 . . A 1 7.696 53.428 61.555 1 10.04 ? C PRO 232 A 1 +ATOM 1740 O O PRO 232 . . A 1 6.866 52.567 61.792 1 14.91 ? O PRO 232 A 1 +ATOM 1741 C CB PRO 232 . . A 1 9.964 52.84 62.296 1 3.63 ? CB PRO 232 A 1 +ATOM 1742 C CG PRO 232 . . A 1 10.918 54.028 62.451 1 2 ? CG PRO 232 A 1 +ATOM 1743 C CD PRO 232 . . A 1 10.904 54.738 61.101 1 6.31 ? CD PRO 232 A 1 +ATOM 1744 N N TRP 233 . . A 1 7.475 54.719 61.733 1 10.65 ? N TRP 233 A 1 +ATOM 1745 C CA TRP 233 . . A 1 6.176 55.128 62.214 1 10.28 ? CA TRP 233 A 1 +ATOM 1746 C C TRP 233 . . A 1 5.197 55.439 61.106 1 12.09 ? C TRP 233 A 1 +ATOM 1747 O O TRP 233 . . A 1 4.084 55.868 61.389 1 15.11 ? O TRP 233 A 1 +ATOM 1748 C CB TRP 233 . . A 1 6.341 56.372 63.088 1 7.96 ? CB TRP 233 A 1 +ATOM 1749 C CG TRP 233 . . A 1 7.222 57.386 62.399 1 7 ? CG TRP 233 A 1 +ATOM 1750 C CD1 TRP 233 . . A 1 8.621 57.518 62.583 1 9.69 ? CD1 TRP 233 A 1 +ATOM 1751 C CD2 TRP 233 . . A 1 6.822 58.383 61.495 1 5.75 ? CD2 TRP 233 A 1 +ATOM 1752 N NE1 TRP 233 . . A 1 9.099 58.558 61.845 1 9.36 ? NE1 TRP 233 A 1 +ATOM 1753 C CE2 TRP 233 . . A 1 8.057 59.138 61.158 1 6.32 ? CE2 TRP 233 A 1 +ATOM 1754 C CE3 TRP 233 . . A 1 5.602 58.746 60.911 1 4.33 ? CE3 TRP 233 A 1 +ATOM 1755 C CZ2 TRP 233 . . A 1 7.987 60.215 60.272 1 2 ? CZ2 TRP 233 A 1 +ATOM 1756 C CZ3 TRP 233 . . A 1 5.565 59.831 60.018 1 4.01 ? CZ3 TRP 233 A 1 +ATOM 1757 C CH2 TRP 233 . . A 1 6.738 60.552 59.709 1 5.7 ? CH2 TRP 233 A 1 +ATOM 1758 N N ALA 234 . . A 1 5.603 55.263 59.837 1 10.4 ? N ALA 234 A 1 +ATOM 1759 C CA ALA 234 . . A 1 4.664 55.613 58.762 1 10.23 ? CA ALA 234 A 1 +ATOM 1760 C C ALA 234 . . A 1 3.829 54.471 58.193 1 9.2 ? C ALA 234 A 1 +ATOM 1761 O O ALA 234 . . A 1 2.994 54.737 57.345 1 8.66 ? O ALA 234 A 1 +ATOM 1762 C CB ALA 234 . . A 1 5.389 56.299 57.601 1 9.92 ? CB ALA 234 A 1 +ATOM 1763 N N SER 235 . . A 1 4.009 53.214 58.584 1 9.85 ? N SER 235 A 1 +ATOM 1764 C CA SER 235 . . A 1 3.125 52.24 57.963 1 8.55 ? CA SER 235 A 1 +ATOM 1765 C C SER 235 . . A 1 2.925 51.041 58.838 1 11.23 ? C SER 235 A 1 +ATOM 1766 O O SER 235 . . A 1 3.702 50.831 59.755 1 14.24 ? O SER 235 A 1 +ATOM 1767 C CB SER 235 . . A 1 3.689 51.813 56.616 1 9.56 ? CB SER 235 A 1 +ATOM 1768 O OG SER 235 . . A 1 5.031 51.343 56.756 1 11.78 ? OG SER 235 A 1 +ATOM 1769 N N VAL 236 . . A 1 1.875 50.263 58.594 1 12.67 ? N VAL 236 A 1 +ATOM 1770 C CA VAL 236 . . A 1 1.665 49.054 59.377 1 12.89 ? CA VAL 236 A 1 +ATOM 1771 C C VAL 236 . . A 1 1.203 47.98 58.41 1 14.64 ? C VAL 236 A 1 +ATOM 1772 O O VAL 236 . . A 1 0.77 48.25 57.299 1 18.52 ? O VAL 236 A 1 +ATOM 1773 C CB VAL 236 . . A 1 0.694 49.23 60.562 1 13.36 ? CB VAL 236 A 1 +ATOM 1774 C CG1 VAL 236 . . A 1 1.252 50.234 61.568 1 9.32 ? CG1 VAL 236 A 1 +ATOM 1775 C CG2 VAL 236 . . A 1 -0.759 49.575 60.164 1 12.44 ? CG2 VAL 236 A 1 +ATOM 1776 N N SER 237 . . A 1 1.28 46.733 58.829 1 11.99 ? N SER 237 A 1 +ATOM 1777 C CA SER 237 . . A 1 0.841 45.682 57.934 1 14.87 ? CA SER 237 A 1 +ATOM 1778 C C SER 237 . . A 1 -0.664 45.589 58.008 1 16.44 ? C SER 237 A 1 +ATOM 1779 O O SER 237 . . A 1 -1.283 46.134 58.916 1 17.84 ? O SER 237 A 1 +ATOM 1780 C CB SER 237 . . A 1 1.473 44.359 58.355 1 20.46 ? CB SER 237 A 1 +ATOM 1781 O OG SER 237 . . A 1 1.233 44.181 59.749 1 31.59 ? OG SER 237 A 1 +ATOM 1782 N N VAL 238 . . A 1 -1.261 44.849 57.074 1 16.3 ? N VAL 238 A 1 +ATOM 1783 C CA VAL 238 . . A 1 -2.705 44.76 57.161 1 17.07 ? CA VAL 238 A 1 +ATOM 1784 C C VAL 238 . . A 1 -3.148 44.105 58.431 1 17.3 ? C VAL 238 A 1 +ATOM 1785 O O VAL 238 . . A 1 -4.183 44.417 59.005 1 20.67 ? O VAL 238 A 1 +ATOM 1786 C CB VAL 238 . . A 1 -3.267 44.082 55.922 1 13.86 ? CB VAL 238 A 1 +ATOM 1787 C CG1 VAL 238 . . A 1 -3.019 44.988 54.718 1 21.79 ? CG1 VAL 238 A 1 +ATOM 1788 C CG2 VAL 238 . . A 1 -2.649 42.709 55.657 1 20.71 ? CG2 VAL 238 A 1 +ATOM 1789 N N ALA 239 . . A 1 -2.299 43.184 58.874 1 16.88 ? N ALA 239 A 1 +ATOM 1790 C CA ALA 239 . . A 1 -2.651 42.491 60.097 1 19.71 ? CA ALA 239 A 1 +ATOM 1791 C C ALA 239 . . A 1 -2.739 43.451 61.258 1 22.34 ? C ALA 239 A 1 +ATOM 1792 O O ALA 239 . . A 1 -3.704 43.48 62.01 1 24.99 ? O ALA 239 A 1 +ATOM 1793 C CB ALA 239 . . A 1 -1.629 41.4 60.402 1 20.58 ? CB ALA 239 A 1 +ATOM 1794 N N GLU 240 . . A 1 -1.687 44.271 61.369 1 21.45 ? N GLU 240 A 1 +ATOM 1795 C CA GLU 240 . . A 1 -1.68 45.231 62.462 1 20.5 ? CA GLU 240 A 1 +ATOM 1796 C C GLU 240 . . A 1 -2.828 46.188 62.386 1 19.54 ? C GLU 240 A 1 +ATOM 1797 O O GLU 240 . . A 1 -3.458 46.502 63.378 1 22.06 ? O GLU 240 A 1 +ATOM 1798 C CB GLU 240 . . A 1 -0.36 46.019 62.554 1 23.57 ? CB GLU 240 A 1 +ATOM 1799 C CG GLU 240 . . A 1 0.418 45.679 63.843 1 30.3 ? CG GLU 240 A 1 +ATOM 1800 C CD GLU 240 . . A 1 -0.134 46.401 65.072 1 27.07 ? CD GLU 240 A 1 +ATOM 1801 O OE1 GLU 240 . . A 1 -1.308 46.735 65.099 1 26.76 ? OE1 GLU 240 A 1 +ATOM 1802 O OE2 GLU 240 . . A 1 0.622 46.643 65.998 1 28.68 ? OE2 GLU 240 A 1 +ATOM 1803 N N GLY 241 . . A 1 -3.095 46.672 61.187 1 19.6 ? N GLY 241 A 1 +ATOM 1804 C CA GLY 241 . . A 1 -4.201 47.607 61.081 1 17.71 ? CA GLY 241 A 1 +ATOM 1805 C C GLY 241 . . A 1 -5.484 46.963 61.526 1 16.81 ? C GLY 241 A 1 +ATOM 1806 O O GLY 241 . . A 1 -6.326 47.575 62.165 1 17.07 ? O GLY 241 A 1 +ATOM 1807 N N ARG 242 . . A 1 -5.615 45.674 61.211 1 18.59 ? N ARG 242 A 1 +ATOM 1808 C CA ARG 242 . . A 1 -6.839 45.009 61.63 1 21.59 ? CA ARG 242 A 1 +ATOM 1809 C C ARG 242 . . A 1 -6.91 44.993 63.144 1 22.77 ? C ARG 242 A 1 +ATOM 1810 O O ARG 242 . . A 1 -7.902 45.334 63.782 1 24.72 ? O ARG 242 A 1 +ATOM 1811 C CB ARG 242 . . A 1 -6.885 43.591 61.054 1 20.14 ? CB ARG 242 A 1 +ATOM 1812 C CG ARG 242 . . A 1 -8.24 42.915 61.291 1 27.41 ? CG ARG 242 A 1 +ATOM 1813 C CD ARG 242 . . A 1 -8.448 41.677 60.402 1 32.04 ? CD ARG 242 A 1 +ATOM 1814 N NE ARG 242 . . A 1 -8.83 42.067 59.05 1 38.93 ? NE ARG 242 A 1 +ATOM 1815 C CZ ARG 242 . . A 1 -10.099 42.372 58.735 1 42.03 ? CZ ARG 242 A 1 +ATOM 1816 N NH1 ARG 242 . . A 1 -11.063 42.318 59.65 1 41.27 ? NH1 ARG 242 A 1 +ATOM 1817 N NH2 ARG 242 . . A 1 -10.4 42.719 57.484 1 48.9 ? NH2 ARG 242 A 1 +ATOM 1818 N N ARG 243 . . A 1 -5.778 44.583 63.707 1 21.15 ? N ARG 243 A 1 +ATOM 1819 C CA ARG 243 . . A 1 -5.649 44.508 65.137 1 19.68 ? CA ARG 243 A 1 +ATOM 1820 C C ARG 243 . . A 1 -6.085 45.804 65.811 1 20.18 ? C ARG 243 A 1 +ATOM 1821 O O ARG 243 . . A 1 -6.945 45.824 66.687 1 22.86 ? O ARG 243 A 1 +ATOM 1822 C CB ARG 243 . . A 1 -4.203 44.175 65.49 1 25.56 ? CB ARG 243 A 1 +ATOM 1823 C CG ARG 243 . . A 1 -4.106 43.158 66.634 1 39.24 ? CG ARG 243 A 1 +ATOM 1824 C CD ARG 243 . . A 1 -2.964 43.359 67.672 1 50.63 ? CD ARG 243 A 1 +ATOM 1825 N NE ARG 243 . . A 1 -2.293 44.668 67.651 1 52.71 ? NE ARG 243 A 1 +ATOM 1826 C CZ ARG 243 . . A 1 -2.663 45.754 68.373 1 54.11 ? CZ ARG 243 A 1 +ATOM 1827 N NH1 ARG 243 . . A 1 -3.759 45.769 69.142 1 53.49 ? NH1 ARG 243 A 1 +ATOM 1828 N NH2 ARG 243 . . A 1 -1.899 46.844 68.331 1 52.99 ? NH2 ARG 243 A 1 +ATOM 1829 N N ARG 244 . . A 1 -5.476 46.905 65.381 1 14.29 ? N ARG 244 A 1 +ATOM 1830 C CA ARG 244 . . A 1 -5.837 48.182 65.98 1 13.22 ? CA ARG 244 A 1 +ATOM 1831 C C ARG 244 . . A 1 -7.269 48.582 65.667 1 18.25 ? C ARG 244 A 1 +ATOM 1832 O O ARG 244 . . A 1 -7.947 49.238 66.45 1 22.33 ? O ARG 244 A 1 +ATOM 1833 C CB ARG 244 . . A 1 -4.915 49.321 65.515 1 8.69 ? CB ARG 244 A 1 +ATOM 1834 C CG ARG 244 . . A 1 -3.44 48.987 65.728 1 3.14 ? CG ARG 244 A 1 +ATOM 1835 C CD ARG 244 . . A 1 -2.461 50.102 65.352 1 2 ? CD ARG 244 A 1 +ATOM 1836 N NE ARG 244 . . A 1 -1.132 49.595 65.636 1 2 ? NE ARG 244 A 1 +ATOM 1837 C CZ ARG 244 . . A 1 -0.019 50.311 65.467 1 4.07 ? CZ ARG 244 A 1 +ATOM 1838 N NH1 ARG 244 . . A 1 -0.037 51.595 65.109 1 3.12 ? NH1 ARG 244 A 1 +ATOM 1839 N NH2 ARG 244 . . A 1 1.148 49.721 65.664 1 3.18 ? NH2 ARG 244 A 1 +ATOM 1840 N N ALA 245 . . A 1 -7.734 48.17 64.494 1 19.86 ? N ALA 245 A 1 +ATOM 1841 C CA ALA 245 . . A 1 -9.075 48.541 64.107 1 18.78 ? CA ALA 245 A 1 +ATOM 1842 C C ALA 245 . . A 1 -10.095 47.949 65.022 1 20.84 ? C ALA 245 A 1 +ATOM 1843 O O ALA 245 . . A 1 -11.067 48.583 65.403 1 21.84 ? O ALA 245 A 1 +ATOM 1844 C CB ALA 245 . . A 1 -9.343 48.07 62.679 1 21.74 ? CB ALA 245 A 1 +ATOM 1845 N N VAL 246 . . A 1 -9.839 46.699 65.386 1 22.44 ? N VAL 246 A 1 +ATOM 1846 C CA VAL 246 . . A 1 -10.754 45.975 66.263 1 25.15 ? CA VAL 246 A 1 +ATOM 1847 C C VAL 246 . . A 1 -10.609 46.438 67.693 1 25.86 ? C VAL 246 A 1 +ATOM 1848 O O VAL 246 . . A 1 -11.558 46.574 68.455 1 26.45 ? O VAL 246 A 1 +ATOM 1849 C CB VAL 246 . . A 1 -10.494 44.47 66.075 1 23.34 ? CB VAL 246 A 1 +ATOM 1850 C CG1 VAL 246 . . A 1 -10.293 43.644 67.35 1 23.96 ? CG1 VAL 246 A 1 +ATOM 1851 C CG2 VAL 246 . . A 1 -11.575 43.874 65.168 1 29.5 ? CG2 VAL 246 A 1 +ATOM 1852 N N GLU 247 . . A 1 -9.357 46.691 68.063 1 28.05 ? N GLU 247 A 1 +ATOM 1853 C CA GLU 247 . . A 1 -9.075 47.151 69.409 1 23.29 ? CA GLU 247 A 1 +ATOM 1854 C C GLU 247 . . A 1 -9.797 48.444 69.684 1 19.74 ? C GLU 247 A 1 +ATOM 1855 O O GLU 247 . . A 1 -10.273 48.697 70.782 1 22.4 ? O GLU 247 A 1 +ATOM 1856 C CB GLU 247 . . A 1 -7.564 47.278 69.601 1 28.4 ? CB GLU 247 A 1 +ATOM 1857 C CG GLU 247 . . A 1 -7.144 47.345 71.067 1 40.09 ? CG GLU 247 A 1 +ATOM 1858 C CD GLU 247 . . A 1 -7.638 46.115 71.815 1 46.37 ? CD GLU 247 A 1 +ATOM 1859 O OE1 GLU 247 . . A 1 -7.74 45.049 71.196 1 45.76 ? OE1 GLU 247 A 1 +ATOM 1860 O OE2 GLU 247 . . A 1 -7.933 46.237 73.007 1 52.56 ? OE2 GLU 247 A 1 +ATOM 1861 N N LEU 248 . . A 1 -9.884 49.267 68.644 1 17.77 ? N LEU 248 A 1 +ATOM 1862 C CA LEU 248 . . A 1 -10.612 50.516 68.796 1 16.07 ? CA LEU 248 A 1 +ATOM 1863 C C LEU 248 . . A 1 -12.057 50.175 69.038 1 16.1 ? C LEU 248 A 1 +ATOM 1864 O O LEU 248 . . A 1 -12.733 50.697 69.906 1 18.19 ? O LEU 248 A 1 +ATOM 1865 C CB LEU 248 . . A 1 -10.54 51.368 67.524 1 13.23 ? CB LEU 248 A 1 +ATOM 1866 C CG LEU 248 . . A 1 -11.058 52.795 67.764 1 12.13 ? CG LEU 248 A 1 +ATOM 1867 C CD1 LEU 248 . . A 1 -10.051 53.618 68.579 1 21.34 ? CD1 LEU 248 A 1 +ATOM 1868 C CD2 LEU 248 . . A 1 -11.36 53.513 66.456 1 10.06 ? CD2 LEU 248 A 1 +ATOM 1869 N N GLY 249 . . A 1 -12.517 49.22 68.249 1 17.29 ? N GLY 249 A 1 +ATOM 1870 C CA GLY 249 . . A 1 -13.888 48.784 68.363 1 18.58 ? CA GLY 249 A 1 +ATOM 1871 C C GLY 249 . . A 1 -14.254 48.364 69.75 1 21.46 ? C GLY 249 A 1 +ATOM 1872 O O GLY 249 . . A 1 -15.311 48.718 70.259 1 19.7 ? O GLY 249 A 1 +ATOM 1873 N N ARG 250 . . A 1 -13.353 47.612 70.389 1 24.6 ? N ARG 250 A 1 +ATOM 1874 C CA ARG 250 . . A 1 -13.712 47.195 71.734 1 29.78 ? CA ARG 250 A 1 +ATOM 1875 C C ARG 250 . . A 1 -13.672 48.348 72.707 1 28.84 ? C ARG 250 A 1 +ATOM 1876 O O ARG 250 . . A 1 -14.412 48.351 73.672 1 32.85 ? O ARG 250 A 1 +ATOM 1877 C CB ARG 250 . . A 1 -13 45.921 72.197 1 31.65 ? CB ARG 250 A 1 +ATOM 1878 C CG ARG 250 . . A 1 -11.564 46.095 72.694 1 38.32 ? CG ARG 250 A 1 +ATOM 1879 C CD ARG 250 . . A 1 -10.716 44.826 72.51 1 42.1 ? CD ARG 250 A 1 +ATOM 1880 N NE ARG 250 . . A 1 -11.511 43.603 72.529 1 47.16 ? NE ARG 250 A 1 +ATOM 1881 C CZ ARG 250 . . A 1 -11.06 42.488 71.919 1 52.25 ? CZ ARG 250 A 1 +ATOM 1882 N NH1 ARG 250 . . A 1 -9.846 42.455 71.36 1 51.05 ? NH1 ARG 250 A 1 +ATOM 1883 N NH2 ARG 250 . . A 1 -11.833 41.398 71.868 1 54.19 ? NH2 ARG 250 A 1 +ATOM 1884 N N ASN 251 . . A 1 -12.838 49.354 72.455 1 27.17 ? N ASN 251 A 1 +ATOM 1885 C CA ASN 251 . . A 1 -12.85 50.482 73.4 1 27.75 ? CA ASN 251 A 1 +ATOM 1886 C C ASN 251 . . A 1 -14.185 51.219 73.329 1 24.12 ? C ASN 251 A 1 +ATOM 1887 O O ASN 251 . . A 1 -14.548 51.915 74.259 1 23.52 ? O ASN 251 A 1 +ATOM 1888 C CB ASN 251 . . A 1 -11.711 51.511 73.204 1 32.09 ? CB ASN 251 A 1 +ATOM 1889 C CG ASN 251 . . A 1 -10.356 51.085 73.755 1 34.22 ? CG ASN 251 A 1 +ATOM 1890 O OD1 ASN 251 . . A 1 -9.71 51.814 74.491 1 37.29 ? OD1 ASN 251 A 1 +ATOM 1891 N ND2 ASN 251 . . A 1 -9.902 49.886 73.399 1 34.04 ? ND2 ASN 251 A 1 +ATOM 1892 N N LEU 252 . . A 1 -14.909 51.094 72.209 1 24.55 ? N LEU 252 A 1 +ATOM 1893 C CA LEU 252 . . A 1 -16.217 51.752 72.133 1 25.74 ? CA LEU 252 A 1 +ATOM 1894 C C LEU 252 . . A 1 -17.323 50.719 72.346 1 26.48 ? C LEU 252 A 1 +ATOM 1895 O O LEU 252 . . A 1 -18.519 50.958 72.198 1 23.35 ? O LEU 252 A 1 +ATOM 1896 C CB LEU 252 . . A 1 -16.488 52.49 70.818 1 25.9 ? CB LEU 252 A 1 +ATOM 1897 C CG LEU 252 . . A 1 -15.578 53.685 70.503 1 28.99 ? CG LEU 252 A 1 +ATOM 1898 C CD1 LEU 252 . . A 1 -15.508 54.707 71.638 1 28.34 ? CD1 LEU 252 A 1 +ATOM 1899 C CD2 LEU 252 . . A 1 -14.181 53.256 70.045 1 33.43 ? CD2 LEU 252 A 1 +ATOM 1900 N N ASN 253 . . A 1 -16.888 49.519 72.719 1 30.95 ? N ASN 253 A 1 +ATOM 1901 C CA ASN 253 . . A 1 -17.778 48.392 72.987 1 36.81 ? CA ASN 253 A 1 +ATOM 1902 C C ASN 253 . . A 1 -18.655 48.03 71.804 1 34.3 ? C ASN 253 A 1 +ATOM 1903 O O ASN 253 . . A 1 -19.84 47.745 71.914 1 31.53 ? O ASN 253 A 1 +ATOM 1904 C CB ASN 253 . . A 1 -18.562 48.511 74.327 1 41.04 ? CB ASN 253 A 1 +ATOM 1905 C CG ASN 253 . . A 1 -19.823 49.371 74.216 1 46.22 ? CG ASN 253 A 1 +ATOM 1906 N N CYS 254 . . A 1 -18.026 48.082 70.65 1 35.23 ? N CYS 254 A 1 +ATOM 1907 C CA CYS 254 . . A 1 -18.746 47.74 69.444 1 36.37 ? CA CYS 254 A 1 +ATOM 1908 C C CYS 254 . . A 1 -18.806 46.251 69.356 1 40.41 ? C CYS 254 A 1 +ATOM 1909 O O CYS 254 . . A 1 -17.977 45.558 69.928 1 42.26 ? O CYS 254 A 1 +ATOM 1910 C CB CYS 254 . . A 1 -17.968 48.234 68.238 1 29.99 ? CB CYS 254 A 1 +ATOM 1911 S SG CYS 254 . . A 1 -18.232 49.996 68.077 1 22.76 ? SG CYS 254 A 1 +ATOM 1912 N N ASN 255 . . A 1 -19.809 45.776 68.607 1 40.92 ? N ASN 255 A 1 +ATOM 1913 C CA ASN 255 . . A 1 -19.98 44.344 68.396 1 40.55 ? CA ASN 255 A 1 +ATOM 1914 C C ASN 255 . . A 1 -18.837 43.974 67.487 1 39.35 ? C ASN 255 A 1 +ATOM 1915 O O ASN 255 . . A 1 -18.743 44.576 66.427 1 38.2 ? O ASN 255 A 1 +ATOM 1916 C CB ASN 255 . . A 1 -21.341 44.116 67.707 1 42.22 ? CB ASN 255 A 1 +ATOM 1917 C CG ASN 255 . . A 1 -21.585 42.672 67.309 1 42.69 ? CG ASN 255 A 1 +ATOM 1918 O OD1 ASN 255 . . A 1 -20.725 41.998 66.773 1 44.86 ? OD1 ASN 255 A 1 +ATOM 1919 N ND2 ASN 255 . . A 1 -22.792 42.19 67.567 1 44.25 ? ND2 ASN 255 A 1 +ATOM 1920 N N LEU 256 . . A 1 -17.98 43.038 67.899 1 39.51 ? N LEU 256 A 1 +ATOM 1921 C CA LEU 256 . . A 1 -16.841 42.692 67.051 1 42.33 ? CA LEU 256 A 1 +ATOM 1922 C C LEU 256 . . A 1 -16.977 41.364 66.324 1 44.21 ? C LEU 256 A 1 +ATOM 1923 O O LEU 256 . . A 1 -15.986 40.706 66.026 1 47.32 ? O LEU 256 A 1 +ATOM 1924 C CB LEU 256 . . A 1 -15.527 42.636 67.853 1 43.59 ? CB LEU 256 A 1 +ATOM 1925 C CG LEU 256 . . A 1 -15.167 43.899 68.662 1 47.1 ? CG LEU 256 A 1 +ATOM 1926 C CD1 LEU 256 . . A 1 -15.667 43.837 70.112 1 50.25 ? CD1 LEU 256 A 1 +ATOM 1927 C CD2 LEU 256 . . A 1 -13.648 44.085 68.684 1 49.35 ? CD2 LEU 256 A 1 +ATOM 1928 N N ASN 257 . . A 1 -18.209 40.954 66.04 1 44.93 ? N ASN 257 A 1 +ATOM 1929 C CA ASN 257 . . A 1 -18.446 39.689 65.349 1 45.58 ? CA ASN 257 A 1 +ATOM 1930 C C ASN 257 . . A 1 -18.19 39.77 63.848 1 45.23 ? C ASN 257 A 1 +ATOM 1931 O O ASN 257 . . A 1 -18.074 38.772 63.153 1 44.48 ? O ASN 257 A 1 +ATOM 1932 C CB ASN 257 . . A 1 -19.885 39.22 65.621 1 47.18 ? CB ASN 257 A 1 +ATOM 1933 N N SER 258 . . A 1 -18.108 40.983 63.317 1 47.53 ? N SER 258 A 1 +ATOM 1934 C CA SER 258 . . A 1 -17.875 41.086 61.879 1 46.62 ? CA SER 258 A 1 +ATOM 1935 C C SER 258 . . A 1 -17.447 42.492 61.525 1 45.93 ? C SER 258 A 1 +ATOM 1936 O O SER 258 . . A 1 -17.716 43.454 62.239 1 45.45 ? O SER 258 A 1 +ATOM 1937 C CB SER 258 . . A 1 -19.177 40.743 61.13 1 48.28 ? CB SER 258 A 1 +ATOM 1938 O OG SER 258 . . A 1 -20.272 41.439 61.741 1 49.1 ? OG SER 258 A 1 +ATOM 1939 N N ASP 259 . . A 1 -16.807 42.611 60.356 1 43.15 ? N ASP 259 A 1 +ATOM 1940 C CA ASP 259 . . A 1 -16.392 43.96 59.967 1 39.16 ? CA ASP 259 A 1 +ATOM 1941 C C ASP 259 . . A 1 -17.603 44.839 59.743 1 36.02 ? C ASP 259 A 1 +ATOM 1942 O O ASP 259 . . A 1 -17.582 46.03 59.962 1 34.56 ? O ASP 259 A 1 +ATOM 1943 C CB ASP 259 . . A 1 -15.51 44.013 58.702 1 37.85 ? CB ASP 259 A 1 +ATOM 1944 C CG ASP 259 . . A 1 -14.228 43.207 58.821 1 39.63 ? CG ASP 259 A 1 +ATOM 1945 O OD1 ASP 259 . . A 1 -13.947 42.697 59.903 1 42.63 ? OD1 ASP 259 A 1 +ATOM 1946 O OD2 ASP 259 . . A 1 -13.511 43.092 57.827 1 40.96 ? OD2 ASP 259 A 1 +ATOM 1947 N N GLU 260 . . A 1 -18.687 44.211 59.313 1 34.31 ? N GLU 260 A 1 +ATOM 1948 C CA GLU 260 . . A 1 -19.893 44.978 59.06 1 34.44 ? CA GLU 260 A 1 +ATOM 1949 C C GLU 260 . . A 1 -20.438 45.628 60.31 1 34.84 ? C GLU 260 A 1 +ATOM 1950 O O GLU 260 . . A 1 -20.857 46.782 60.338 1 32.9 ? O GLU 260 A 1 +ATOM 1951 C CB GLU 260 . . A 1 -20.997 44.034 58.553 1 35.01 ? CB GLU 260 A 1 +ATOM 1952 N N GLU 261 . . A 1 -20.432 44.797 61.367 1 34.19 ? N GLU 261 A 1 +ATOM 1953 C CA GLU 261 . . A 1 -20.95 45.244 62.649 1 32 ? CA GLU 261 A 1 +ATOM 1954 C C GLU 261 . . A 1 -20.023 46.281 63.25 1 31.67 ? C GLU 261 A 1 +ATOM 1955 O O GLU 261 . . A 1 -20.417 47.345 63.73 1 31.79 ? O GLU 261 A 1 +ATOM 1956 C CB GLU 261 . . A 1 -21.191 44.038 63.594 1 35.52 ? CB GLU 261 A 1 +ATOM 1957 C CG GLU 261 . . A 1 -22.578 43.336 63.399 1 32.88 ? CG GLU 261 A 1 +ATOM 1958 N N LEU 262 . . A 1 -18.747 45.931 63.201 1 27.26 ? N LEU 262 A 1 +ATOM 1959 C CA LEU 262 . . A 1 -17.738 46.803 63.731 1 23.27 ? CA LEU 262 A 1 +ATOM 1960 C C LEU 262 . . A 1 -17.801 48.161 63.07 1 25.58 ? C LEU 262 A 1 +ATOM 1961 O O LEU 262 . . A 1 -17.867 49.203 63.706 1 29.63 ? O LEU 262 A 1 +ATOM 1962 C CB LEU 262 . . A 1 -16.39 46.126 63.49 1 23.67 ? CB LEU 262 A 1 +ATOM 1963 C CG LEU 262 . . A 1 -15.172 46.989 63.827 1 24.34 ? CG LEU 262 A 1 +ATOM 1964 C CD1 LEU 262 . . A 1 -15.243 47.536 65.25 1 31.17 ? CD1 LEU 262 A 1 +ATOM 1965 C CD2 LEU 262 . . A 1 -13.881 46.193 63.629 1 25.63 ? CD2 LEU 262 A 1 +ATOM 1966 N N ILE 263 . . A 1 -17.818 48.13 61.749 1 25.88 ? N ILE 263 A 1 +ATOM 1967 C CA ILE 263 . . A 1 -17.847 49.358 60.975 1 28.49 ? CA ILE 263 A 1 +ATOM 1968 C C ILE 263 . . A 1 -19.124 50.128 61.189 1 31.31 ? C ILE 263 A 1 +ATOM 1969 O O ILE 263 . . A 1 -19.069 51.329 61.404 1 33.92 ? O ILE 263 A 1 +ATOM 1970 C CB ILE 263 . . A 1 -17.535 49.065 59.487 1 24.74 ? CB ILE 263 A 1 +ATOM 1971 C CG1 ILE 263 . . A 1 -16.059 48.644 59.363 1 22.96 ? CG1 ILE 263 A 1 +ATOM 1972 C CG2 ILE 263 . . A 1 -17.839 50.236 58.544 1 19.49 ? CG2 ILE 263 A 1 +ATOM 1973 C CD1 ILE 263 . . A 1 -15.716 48.015 58.015 1 19.48 ? CD1 ILE 263 A 1 +ATOM 1974 N N HIS 264 . . A 1 -20.278 49.455 61.149 1 33.61 ? N HIS 264 A 1 +ATOM 1975 C CA HIS 264 . . A 1 -21.518 50.205 61.354 1 38.39 ? CA HIS 264 A 1 +ATOM 1976 C C HIS 264 . . A 1 -21.444 50.922 62.677 1 37.97 ? C HIS 264 A 1 +ATOM 1977 O O HIS 264 . . A 1 -21.759 52.098 62.833 1 40.86 ? O HIS 264 A 1 +ATOM 1978 C CB HIS 264 . . A 1 -22.772 49.289 61.292 1 48.98 ? CB HIS 264 A 1 +ATOM 1979 C CG HIS 264 . . A 1 -23.998 49.912 61.975 1 61.06 ? CG HIS 264 A 1 +ATOM 1980 N ND1 HIS 264 . . A 1 -24.607 51.064 61.597 1 64.46 ? ND1 HIS 264 A 1 +ATOM 1981 C CD2 HIS 264 . . A 1 -24.674 49.438 63.133 1 65.12 ? CD2 HIS 264 A 1 +ATOM 1982 C CE1 HIS 264 . . A 1 -25.606 51.285 62.475 1 66.51 ? CE1 HIS 264 A 1 +ATOM 1983 N NE2 HIS 264 . . A 1 -25.661 50.319 63.41 1 67.54 ? NE2 HIS 264 A 1 +ATOM 1984 N N CYS 265 . . A 1 -20.976 50.147 63.64 1 32.83 ? N CYS 265 A 1 +ATOM 1985 C CA CYS 265 . . A 1 -20.856 50.683 64.969 1 29.03 ? CA CYS 265 A 1 +ATOM 1986 C C CYS 265 . . A 1 -20.017 51.947 64.991 1 27.28 ? C CYS 265 A 1 +ATOM 1987 O O CYS 265 . . A 1 -20.428 53.001 65.464 1 30.45 ? O CYS 265 A 1 +ATOM 1988 C CB CYS 265 . . A 1 -20.271 49.584 65.84 1 29.44 ? CB CYS 265 A 1 +ATOM 1989 S SG CYS 265 . . A 1 -20.203 50.034 67.584 1 30.11 ? SG CYS 265 A 1 +ATOM 1990 N N LEU 266 . . A 1 -18.829 51.837 64.402 1 22.45 ? N LEU 266 A 1 +ATOM 1991 C CA LEU 266 . . A 1 -17.952 52.988 64.39 1 20.17 ? CA LEU 266 A 1 +ATOM 1992 C C LEU 266 . . A 1 -18.529 54.142 63.596 1 21.08 ? C LEU 266 A 1 +ATOM 1993 O O LEU 266 . . A 1 -18.179 55.288 63.818 1 22.26 ? O LEU 266 A 1 +ATOM 1994 C CB LEU 266 . . A 1 -16.566 52.593 63.86 1 13.8 ? CB LEU 266 A 1 +ATOM 1995 C CG LEU 266 . . A 1 -15.856 51.541 64.743 1 9.35 ? CG LEU 266 A 1 +ATOM 1996 C CD1 LEU 266 . . A 1 -14.74 50.835 63.993 1 6.6 ? CD1 LEU 266 A 1 +ATOM 1997 C CD2 LEU 266 . . A 1 -15.281 52.153 66.026 1 11.99 ? CD2 LEU 266 A 1 +ATOM 1998 N N ARG 267 . . A 1 -19.415 53.842 62.651 1 25.36 ? N ARG 267 A 1 +ATOM 1999 C CA ARG 267 . . A 1 -19.995 54.917 61.85 1 28.09 ? CA ARG 267 A 1 +ATOM 2000 C C ARG 267 . . A 1 -21.064 55.661 62.61 1 29 ? C ARG 267 A 1 +ATOM 2001 O O ARG 267 . . A 1 -21.477 56.728 62.177 1 30.66 ? O ARG 267 A 1 +ATOM 2002 C CB ARG 267 . . A 1 -20.549 54.436 60.474 1 29.47 ? CB ARG 267 A 1 +ATOM 2003 C CG ARG 267 . . A 1 -19.486 53.801 59.531 1 29.74 ? CG ARG 267 A 1 +ATOM 2004 C CD ARG 267 . . A 1 -19.493 54.271 58.048 1 31.57 ? CD ARG 267 A 1 +ATOM 2005 N NE ARG 267 . . A 1 -20.047 53.252 57.148 1 29.99 ? NE ARG 267 A 1 +ATOM 2006 C CZ ARG 267 . . A 1 -19.349 52.606 56.184 1 29.62 ? CZ ARG 267 A 1 +ATOM 2007 N NH1 ARG 267 . . A 1 -18.071 52.858 55.912 1 21.41 ? NH1 ARG 267 A 1 +ATOM 2008 N NH2 ARG 267 . . A 1 -19.958 51.667 55.468 1 32.91 ? NH2 ARG 267 A 1 +ATOM 2009 N N GLU 268 . . A 1 -21.536 55.071 63.718 1 30.51 ? N GLU 268 A 1 +ATOM 2010 C CA GLU 268 . . A 1 -22.578 55.737 64.515 1 31.71 ? CA GLU 268 A 1 +ATOM 2011 C C GLU 268 . . A 1 -21.981 56.554 65.625 1 32.42 ? C GLU 268 A 1 +ATOM 2012 O O GLU 268 . . A 1 -22.645 57.4 66.212 1 36.23 ? O GLU 268 A 1 +ATOM 2013 C CB GLU 268 . . A 1 -23.553 54.751 65.201 1 32.99 ? CB GLU 268 A 1 +ATOM 2014 C CG GLU 268 . . A 1 -24.478 53.994 64.216 1 40.92 ? CG GLU 268 A 1 +ATOM 2015 N N LYS 269 . . A 1 -20.727 56.248 65.966 1 30.23 ? N LYS 269 A 1 +ATOM 2016 C CA LYS 269 . . A 1 -20.136 57.002 67.048 1 28.67 ? CA LYS 269 A 1 +ATOM 2017 C C LYS 269 . . A 1 -19.852 58.419 66.608 1 27.17 ? C LYS 269 A 1 +ATOM 2018 O O LYS 269 . . A 1 -19.518 58.714 65.474 1 28.28 ? O LYS 269 A 1 +ATOM 2019 C CB LYS 269 . . A 1 -18.853 56.308 67.49 1 31.35 ? CB LYS 269 A 1 +ATOM 2020 C CG LYS 269 . . A 1 -19.103 54.88 67.994 1 35.61 ? CG LYS 269 A 1 +ATOM 2021 C CD LYS 269 . . A 1 -19.619 54.834 69.447 1 42.51 ? CD LYS 269 A 1 +ATOM 2022 C CE LYS 269 . . A 1 -19.981 53.407 69.892 1 46.28 ? CE LYS 269 A 1 +ATOM 2023 N NZ LYS 269 . . A 1 -21.133 52.934 69.153 1 51.59 ? NZ LYS 269 A 1 +ATOM 2024 N N LYS 270 . . A 1 -19.979 59.33 67.561 1 25.86 ? N LYS 270 A 1 +ATOM 2025 C CA LYS 270 . . A 1 -19.709 60.724 67.236 1 25.82 ? CA LYS 270 A 1 +ATOM 2026 C C LYS 270 . . A 1 -18.202 60.845 67.06 1 25.56 ? C LYS 270 A 1 +ATOM 2027 O O LYS 270 . . A 1 -17.471 60.112 67.724 1 28.89 ? O LYS 270 A 1 +ATOM 2028 C CB LYS 270 . . A 1 -20.179 61.623 68.394 1 29.72 ? CB LYS 270 A 1 +ATOM 2029 C CG LYS 270 . . A 1 -21.486 61.133 69.055 1 34.57 ? CG LYS 270 A 1 +ATOM 2030 N N PRO 271 . . A 1 -17.728 61.788 66.223 1 21.99 ? N PRO 271 A 1 +ATOM 2031 C CA PRO 271 . . A 1 -16.312 61.825 65.882 1 19.77 ? CA PRO 271 A 1 +ATOM 2032 C C PRO 271 . . A 1 -15.406 61.873 67.097 1 19.51 ? C PRO 271 A 1 +ATOM 2033 O O PRO 271 . . A 1 -14.427 61.145 67.208 1 18.77 ? O PRO 271 A 1 +ATOM 2034 C CB PRO 271 . . A 1 -16.15 63.032 64.951 1 17.86 ? CB PRO 271 A 1 +ATOM 2035 C CG PRO 271 . . A 1 -17.502 63.772 64.96 1 19.7 ? CG PRO 271 A 1 +ATOM 2036 C CD PRO 271 . . A 1 -18.527 62.824 65.588 1 21.39 ? CD PRO 271 A 1 +ATOM 2037 N N GLN 272 . . A 1 -15.781 62.747 68.045 1 20.44 ? N GLN 272 A 1 +ATOM 2038 C CA GLN 272 . . A 1 -14.959 62.861 69.255 1 20.29 ? CA GLN 272 A 1 +ATOM 2039 C C GLN 272 . . A 1 -14.813 61.567 70.024 1 16.35 ? C GLN 272 A 1 +ATOM 2040 O O GLN 272 . . A 1 -13.796 61.346 70.659 1 14.98 ? O GLN 272 A 1 +ATOM 2041 C CB GLN 272 . . A 1 -15.424 63.988 70.206 1 25.23 ? CB GLN 272 A 1 +ATOM 2042 C CG GLN 272 . . A 1 -14.716 65.336 69.967 1 35.78 ? CG GLN 272 A 1 +ATOM 2043 C CD GLN 272 . . A 1 -13.264 65.246 70.428 1 40.78 ? CD GLN 272 A 1 +ATOM 2044 O OE1 GLN 272 . . A 1 -12.922 64.449 71.287 1 41.42 ? OE1 GLN 272 A 1 +ATOM 2045 N NE2 GLN 272 . . A 1 -12.403 66.076 69.832 1 43.62 ? NE2 GLN 272 A 1 +ATOM 2046 N N GLU 273 . . A 1 -15.814 60.683 69.974 1 15.06 ? N GLU 273 A 1 +ATOM 2047 C CA GLU 273 . . A 1 -15.616 59.448 70.732 1 16.59 ? CA GLU 273 A 1 +ATOM 2048 C C GLU 273 . . A 1 -14.449 58.688 70.17 1 17.35 ? C GLU 273 A 1 +ATOM 2049 O O GLU 273 . . A 1 -13.67 58.105 70.916 1 18.34 ? O GLU 273 A 1 +ATOM 2050 C CB GLU 273 . . A 1 -16.839 58.526 70.737 1 19.35 ? CB GLU 273 A 1 +ATOM 2051 C CG GLU 273 . . A 1 -17.982 59.089 71.591 1 26.28 ? CG GLU 273 A 1 +ATOM 2052 C CD GLU 273 . . A 1 -19.28 58.34 71.341 1 32.07 ? CD GLU 273 A 1 +ATOM 2053 O OE1 GLU 273 . . A 1 -19.991 58.685 70.392 1 31.44 ? OE1 GLU 273 A 1 +ATOM 2054 O OE2 GLU 273 . . A 1 -19.578 57.42 72.102 1 35.54 ? OE2 GLU 273 A 1 +ATOM 2055 N N LEU 274 . . A 1 -14.342 58.737 68.832 1 17.24 ? N LEU 274 A 1 +ATOM 2056 C CA LEU 274 . . A 1 -13.243 58.017 68.201 1 16.07 ? CA LEU 274 A 1 +ATOM 2057 C C LEU 274 . . A 1 -11.927 58.632 68.622 1 12.97 ? C LEU 274 A 1 +ATOM 2058 O O LEU 274 . . A 1 -10.984 57.957 69.004 1 16.28 ? O LEU 274 A 1 +ATOM 2059 C CB LEU 274 . . A 1 -13.388 57.989 66.664 1 19.09 ? CB LEU 274 A 1 +ATOM 2060 C CG LEU 274 . . A 1 -14.568 57.105 66.157 1 21.29 ? CG LEU 274 A 1 +ATOM 2061 C CD1 LEU 274 . . A 1 -15.439 57.817 65.127 1 18.9 ? CD1 LEU 274 A 1 +ATOM 2062 C CD2 LEU 274 . . A 1 -14.099 55.763 65.575 1 19.75 ? CD2 LEU 274 A 1 +ATOM 2063 N N ILE 275 . . A 1 -11.874 59.954 68.582 1 9.96 ? N ILE 275 A 1 +ATOM 2064 C CA ILE 275 . . A 1 -10.621 60.576 68.97 1 9.89 ? CA ILE 275 A 1 +ATOM 2065 C C ILE 275 . . A 1 -10.229 60.26 70.403 1 13.55 ? C ILE 275 A 1 +ATOM 2066 O O ILE 275 . . A 1 -9.072 59.954 70.664 1 17.07 ? O ILE 275 A 1 +ATOM 2067 C CB ILE 275 . . A 1 -10.652 62.094 68.769 1 11.57 ? CB ILE 275 A 1 +ATOM 2068 C CG1 ILE 275 . . A 1 -11.319 62.423 67.42 1 2.17 ? CG1 ILE 275 A 1 +ATOM 2069 C CG2 ILE 275 . . A 1 -9.236 62.708 68.908 1 9.05 ? CG2 ILE 275 A 1 +ATOM 2070 C CD1 ILE 275 . . A 1 -11.178 63.888 67.037 1 6.35 ? CD1 ILE 275 A 1 +ATOM 2071 N N ASP 276 . . A 1 -11.214 60.323 71.312 1 13.66 ? N ASP 276 A 1 +ATOM 2072 C CA ASP 276 . . A 1 -10.967 60.055 72.736 1 9.99 ? CA ASP 276 A 1 +ATOM 2073 C C ASP 276 . . A 1 -10.209 58.755 72.987 1 9.78 ? C ASP 276 A 1 +ATOM 2074 O O ASP 276 . . A 1 -9.256 58.728 73.749 1 15.86 ? O ASP 276 A 1 +ATOM 2075 C CB ASP 276 . . A 1 -12.268 60.066 73.579 1 6.67 ? CB ASP 276 A 1 +ATOM 2076 C CG ASP 276 . . A 1 -12.935 61.437 73.832 1 13.34 ? CG ASP 276 A 1 +ATOM 2077 O OD1 ASP 276 . . A 1 -12.247 62.466 73.816 1 11.05 ? OD1 ASP 276 A 1 +ATOM 2078 O OD2 ASP 276 . . A 1 -14.149 61.465 74.08 1 12.5 ? OD2 ASP 276 A 1 +ATOM 2079 N N VAL 277 . . A 1 -10.607 57.654 72.345 1 10.57 ? N VAL 277 A 1 +ATOM 2080 C CA VAL 277 . . A 1 -9.861 56.422 72.639 1 11.18 ? CA VAL 277 A 1 +ATOM 2081 C C VAL 277 . . A 1 -8.818 56.096 71.598 1 9.73 ? C VAL 277 A 1 +ATOM 2082 O O VAL 277 . . A 1 -8.168 55.065 71.658 1 6.66 ? O VAL 277 A 1 +ATOM 2083 C CB VAL 277 . . A 1 -10.844 55.258 72.819 1 12 ? CB VAL 277 A 1 +ATOM 2084 C CG1 VAL 277 . . A 1 -11.716 55.499 74.059 1 14.32 ? CG1 VAL 277 A 1 +ATOM 2085 C CG2 VAL 277 . . A 1 -11.75 55.051 71.604 1 14.63 ? CG2 VAL 277 A 1 +ATOM 2086 N N GLU 278 . . A 1 -8.644 56.991 70.636 1 13.19 ? N GLU 278 A 1 +ATOM 2087 C CA GLU 278 . . A 1 -7.692 56.76 69.568 1 15.23 ? CA GLU 278 A 1 +ATOM 2088 C C GLU 278 . . A 1 -6.29 56.328 70.024 1 17.91 ? C GLU 278 A 1 +ATOM 2089 O O GLU 278 . . A 1 -5.709 55.38 69.506 1 17.63 ? O GLU 278 A 1 +ATOM 2090 C CB GLU 278 . . A 1 -7.666 58.018 68.686 1 14.05 ? CB GLU 278 A 1 +ATOM 2091 C CG GLU 278 . . A 1 -6.897 57.868 67.363 1 22.36 ? CG GLU 278 A 1 +ATOM 2092 C CD GLU 278 . . A 1 -6.148 59.113 66.886 1 24.06 ? CD GLU 278 A 1 +ATOM 2093 O OE1 GLU 278 . . A 1 -6.613 60.233 67.11 1 17.72 ? OE1 GLU 278 A 1 +ATOM 2094 O OE2 GLU 278 . . A 1 -5.08 58.936 66.29 1 29.64 ? OE2 GLU 278 A 1 +ATOM 2095 N N TRP 279 . . A 1 -5.748 56.995 71.039 1 19.53 ? N TRP 279 A 1 +ATOM 2096 C CA TRP 279 . . A 1 -4.375 56.663 71.456 1 23.58 ? CA TRP 279 A 1 +ATOM 2097 C C TRP 279 . . A 1 -4.326 55.378 72.305 1 21.75 ? C TRP 279 A 1 +ATOM 2098 O O TRP 279 . . A 1 -3.27 54.887 72.685 1 20.15 ? O TRP 279 A 1 +ATOM 2099 C CB TRP 279 . . A 1 -3.626 57.911 72.073 1 27.83 ? CB TRP 279 A 1 +ATOM 2100 C CG TRP 279 . . A 1 -3.609 59.185 71.18 1 45.87 ? CG TRP 279 A 1 +ATOM 2101 C CD1 TRP 279 . . A 1 -4.6 59.611 70.245 1 51.14 ? CD1 TRP 279 A 1 +ATOM 2102 C CD2 TRP 279 . . A 1 -2.638 60.215 71.124 1 51.75 ? CD2 TRP 279 A 1 +ATOM 2103 N NE1 TRP 279 . . A 1 -4.32 60.787 69.652 1 49.73 ? NE1 TRP 279 A 1 +ATOM 2104 C CE2 TRP 279 . . A 1 -3.129 61.217 70.139 1 49.88 ? CE2 TRP 279 A 1 +ATOM 2105 C CE3 TRP 279 . . A 1 -1.396 60.443 71.739 1 58.48 ? CE3 TRP 279 A 1 +ATOM 2106 C CZ2 TRP 279 . . A 1 -2.355 62.344 69.845 1 52.53 ? CZ2 TRP 279 A 1 +ATOM 2107 C CZ3 TRP 279 . . A 1 -0.651 61.593 71.411 1 56.28 ? CZ3 TRP 279 A 1 +ATOM 2108 C CH2 TRP 279 . . A 1 -1.121 62.532 70.477 1 54.43 ? CH2 TRP 279 A 1 +ATOM 2109 N N ASN 280 . . A 1 -5.489 54.797 72.608 1 20.31 ? N ASN 280 A 1 +ATOM 2110 C CA ASN 280 . . A 1 -5.433 53.582 73.429 1 20.08 ? CA ASN 280 A 1 +ATOM 2111 C C ASN 280 . . A 1 -5.039 52.341 72.694 1 22.62 ? C ASN 280 A 1 +ATOM 2112 O O ASN 280 . . A 1 -4.46 51.425 73.248 1 26.63 ? O ASN 280 A 1 +ATOM 2113 C CB ASN 280 . . A 1 -6.789 53.199 74.043 1 20.19 ? CB ASN 280 A 1 +ATOM 2114 C CG ASN 280 . . A 1 -7.137 54.098 75.195 1 24.84 ? CG ASN 280 A 1 +ATOM 2115 O OD1 ASN 280 . . A 1 -6.304 54.823 75.717 1 25.2 ? OD1 ASN 280 A 1 +ATOM 2116 N ND2 ASN 280 . . A 1 -8.397 54.069 75.59 1 28.34 ? ND2 ASN 280 A 1 +ATOM 2117 N N VAL 281 . . A 1 -5.38 52.275 71.42 1 25.56 ? N VAL 281 A 1 +ATOM 2118 C CA VAL 281 . . A 1 -5.062 51.042 70.707 1 24.42 ? CA VAL 281 A 1 +ATOM 2119 C C VAL 281 . . A 1 -3.599 50.711 70.393 1 22.95 ? C VAL 281 A 1 +ATOM 2120 O O VAL 281 . . A 1 -3.372 49.647 69.821 1 24.23 ? O VAL 281 A 1 +ATOM 2121 C CB VAL 281 . . A 1 -5.906 51 69.425 1 25.83 ? CB VAL 281 A 1 +ATOM 2122 C CG1 VAL 281 . . A 1 -7.411 51.111 69.722 1 27.99 ? CG1 VAL 281 A 1 +ATOM 2123 C CG2 VAL 281 . . A 1 -5.501 52.081 68.401 1 30.18 ? CG2 VAL 281 A 1 +ATOM 2124 N N LEU 282 . . A 1 -2.624 51.588 70.698 1 20.87 ? N LEU 282 A 1 +ATOM 2125 C CA LEU 282 . . A 1 -1.259 51.173 70.351 1 23 ? CA LEU 282 A 1 +ATOM 2126 C C LEU 282 . . A 1 -0.893 49.88 71.054 1 27.86 ? C LEU 282 A 1 +ATOM 2127 O O LEU 282 . . A 1 -1.344 49.607 72.15 1 32.56 ? O LEU 282 A 1 +ATOM 2128 C CB LEU 282 . . A 1 -0.159 52.178 70.739 1 21.55 ? CB LEU 282 A 1 +ATOM 2129 C CG LEU 282 . . A 1 -0.144 53.46 69.926 1 18.06 ? CG LEU 282 A 1 +ATOM 2130 C CD1 LEU 282 . . A 1 0.864 54.445 70.504 1 16.8 ? CD1 LEU 282 A 1 +ATOM 2131 C CD2 LEU 282 . . A 1 0.197 53.174 68.463 1 26.92 ? CD2 LEU 282 A 1 +ATOM 2132 N N PRO 283 . . A 1 -0.024 49.098 70.427 1 30.7 ? N PRO 283 A 1 +ATOM 2133 C CA PRO 283 . . A 1 0.402 47.861 71.049 1 32.14 ? CA PRO 283 A 1 +ATOM 2134 C C PRO 283 . . A 1 1.517 48.007 72.09 1 33.95 ? C PRO 283 A 1 +ATOM 2135 O O PRO 283 . . A 1 1.919 47.011 72.68 1 36.67 ? O PRO 283 A 1 +ATOM 2136 C CB PRO 283 . . A 1 0.991 47.076 69.875 1 30.98 ? CB PRO 283 A 1 +ATOM 2137 C CG PRO 283 . . A 1 1.456 48.15 68.884 1 33.78 ? CG PRO 283 A 1 +ATOM 2138 C CD PRO 283 . . A 1 0.527 49.34 69.104 1 32 ? CD PRO 283 A 1 +ATOM 2139 N N PHE 284 . . A 1 2.073 49.21 72.301 1 33.22 ? N PHE 284 A 1 +ATOM 2140 C CA PHE 284 . . A 1 3.173 49.257 73.275 1 33.7 ? CA PHE 284 A 1 +ATOM 2141 C C PHE 284 . . A 1 3.401 50.664 73.784 1 31.26 ? C PHE 284 A 1 +ATOM 2142 O O PHE 284 . . A 1 2.904 51.64 73.25 1 35.29 ? O PHE 284 A 1 +ATOM 2143 C CB PHE 284 . . A 1 4.48 48.725 72.623 1 37.6 ? CB PHE 284 A 1 +ATOM 2144 C CG PHE 284 . . A 1 4.8 49.364 71.288 1 35.44 ? CG PHE 284 A 1 +ATOM 2145 N N ASP 285 . . A 1 4.19 50.78 74.844 1 27.46 ? N ASP 285 A 1 +ATOM 2146 C CA ASP 285 . . A 1 4.458 52.113 75.37 1 27.08 ? CA ASP 285 A 1 +ATOM 2147 C C ASP 285 . . A 1 5.465 52.645 74.399 1 24.63 ? C ASP 285 A 1 +ATOM 2148 O O ASP 285 . . A 1 6.459 51.963 74.202 1 23.44 ? O ASP 285 A 1 +ATOM 2149 C CB ASP 285 . . A 1 5.088 52.01 76.783 1 32.77 ? CB ASP 285 A 1 +ATOM 2150 C CG ASP 285 . . A 1 4.963 53.25 77.68 1 36.82 ? CG ASP 285 A 1 +ATOM 2151 O OD1 ASP 285 . . A 1 4.601 54.334 77.2 1 41.07 ? OD1 ASP 285 A 1 +ATOM 2152 O OD2 ASP 285 . . A 1 5.201 53.11 78.885 1 39.75 ? OD2 ASP 285 A 1 +ATOM 2153 N N SER 286 . . A 1 5.244 53.807 73.796 1 22.2 ? N SER 286 A 1 +ATOM 2154 C CA SER 286 . . A 1 6.287 54.187 72.865 1 20.31 ? CA SER 286 A 1 +ATOM 2155 C C SER 286 . . A 1 6.19 55.639 72.579 1 20.85 ? C SER 286 A 1 +ATOM 2156 O O SER 286 . . A 1 5.215 56.291 72.907 1 25.15 ? O SER 286 A 1 +ATOM 2157 C CB SER 286 . . A 1 6.124 53.397 71.571 1 22.04 ? CB SER 286 A 1 +ATOM 2158 N N ILE 287 . . A 1 7.231 56.149 71.957 1 20.58 ? N ILE 287 A 1 +ATOM 2159 C CA ILE 287 . . A 1 7.316 57.542 71.6 1 18.81 ? CA ILE 287 A 1 +ATOM 2160 C C ILE 287 . . A 1 7.566 57.539 70.101 1 23.59 ? C ILE 287 A 1 +ATOM 2161 O O ILE 287 . . A 1 8.253 56.669 69.584 1 23.54 ? O ILE 287 A 1 +ATOM 2162 C CB ILE 287 . . A 1 8.386 58.168 72.526 1 19.4 ? CB ILE 287 A 1 +ATOM 2163 C CG1 ILE 287 . . A 1 7.674 58.758 73.738 1 26.33 ? CG1 ILE 287 A 1 +ATOM 2164 C CG2 ILE 287 . . A 1 9.381 59.18 71.969 1 12.5 ? CG2 ILE 287 A 1 +ATOM 2165 C CD1 ILE 287 . . A 1 6.783 59.964 73.388 1 37.57 ? CD1 ILE 287 A 1 +ATOM 2166 N N PHE 288 . . A 1 6.98 58.527 69.409 1 22.61 ? N PHE 288 A 1 +ATOM 2167 C CA PHE 288 . . A 1 7.142 58.613 67.965 1 18.77 ? CA PHE 288 A 1 +ATOM 2168 C C PHE 288 . . A 1 6.488 57.438 67.263 1 17.49 ? C PHE 288 A 1 +ATOM 2169 O O PHE 288 . . A 1 7.068 56.848 66.366 1 18.77 ? O PHE 288 A 1 +ATOM 2170 C CB PHE 288 . . A 1 8.626 58.732 67.524 1 18.74 ? CB PHE 288 A 1 +ATOM 2171 C CG PHE 288 . . A 1 8.842 59.709 66.391 1 20.03 ? CG PHE 288 A 1 +ATOM 2172 C CD1 PHE 288 . . A 1 7.959 59.77 65.297 1 18.55 ? CD1 PHE 288 A 1 +ATOM 2173 C CD2 PHE 288 . . A 1 9.937 60.591 66.439 1 20.66 ? CD2 PHE 288 A 1 +ATOM 2174 C CE1 PHE 288 . . A 1 8.162 60.724 64.286 1 21.85 ? CE1 PHE 288 A 1 +ATOM 2175 C CE2 PHE 288 . . A 1 10.152 61.527 65.417 1 18.68 ? CE2 PHE 288 A 1 +ATOM 2176 C CZ PHE 288 . . A 1 9.258 61.601 64.342 1 18.73 ? CZ PHE 288 A 1 +ATOM 2177 N N ARG 289 . . A 1 5.281 57.08 67.706 1 13.71 ? N ARG 289 A 1 +ATOM 2178 C CA ARG 289 . . A 1 4.589 55.99 67.04 1 10.97 ? CA ARG 289 A 1 +ATOM 2179 C C ARG 289 . . A 1 3.133 56.446 67.008 1 13.17 ? C ARG 289 A 1 +ATOM 2180 O O ARG 289 . . A 1 2.672 57.044 67.976 1 15.46 ? O ARG 289 A 1 +ATOM 2181 C CB ARG 289 . . A 1 4.87 54.676 67.752 1 7.32 ? CB ARG 289 A 1 +ATOM 2182 C CG ARG 289 . . A 1 5.166 53.55 66.761 1 10.17 ? CG ARG 289 A 1 +ATOM 2183 C CD ARG 289 . . A 1 6.592 52.986 66.804 1 8.16 ? CD ARG 289 A 1 +ATOM 2184 N NE ARG 289 . . A 1 7.61 53.993 66.528 1 6.44 ? NE ARG 289 A 1 +ATOM 2185 C CZ ARG 289 . . A 1 8.888 53.619 66.311 1 7.3 ? CZ ARG 289 A 1 +ATOM 2186 N NH1 ARG 289 . . A 1 9.265 52.332 66.314 1 9.32 ? NH1 ARG 289 A 1 +ATOM 2187 N NH2 ARG 289 . . A 1 9.799 54.549 66.1 1 2 ? NH2 ARG 289 A 1 +ATOM 2188 N N PHE 290 . . A 1 2.423 56.202 65.89 1 13.8 ? N PHE 290 A 1 +ATOM 2189 C CA PHE 290 . . A 1 1.03 56.669 65.753 1 7.02 ? CA PHE 290 A 1 +ATOM 2190 C C PHE 290 . . A 1 0.166 55.475 65.563 1 7.77 ? C PHE 290 A 1 +ATOM 2191 O O PHE 290 . . A 1 0.62 54.426 65.14 1 8.78 ? O PHE 290 A 1 +ATOM 2192 C CB PHE 290 . . A 1 0.93 57.706 64.649 1 5.39 ? CB PHE 290 A 1 +ATOM 2193 C CG PHE 290 . . A 1 2.049 58.697 64.835 1 6.71 ? CG PHE 290 A 1 +ATOM 2194 C CD1 PHE 290 . . A 1 2.069 59.518 65.98 1 9.75 ? CD1 PHE 290 A 1 +ATOM 2195 C CD2 PHE 290 . . A 1 3.094 58.785 63.908 1 5 ? CD2 PHE 290 A 1 +ATOM 2196 C CE1 PHE 290 . . A 1 3.123 60.416 66.204 1 12.99 ? CE1 PHE 290 A 1 +ATOM 2197 C CE2 PHE 290 . . A 1 4.152 59.683 64.134 1 15.4 ? CE2 PHE 290 A 1 +ATOM 2198 C CZ PHE 290 . . A 1 4.175 60.502 65.278 1 13.61 ? CZ PHE 290 A 1 +ATOM 2199 N N SER 291 . . A 1 -1.106 55.638 65.857 1 8.32 ? N SER 291 A 1 +ATOM 2200 C CA SER 291 . . A 1 -1.972 54.462 65.823 1 16.13 ? CA SER 291 A 1 +ATOM 2201 C C SER 291 . . A 1 -2.512 54.045 64.482 1 17.73 ? C SER 291 A 1 +ATOM 2202 O O SER 291 . . A 1 -2.336 52.912 64.051 1 20.12 ? O SER 291 A 1 +ATOM 2203 C CB SER 291 . . A 1 -3.099 54.609 66.872 1 19.54 ? CB SER 291 A 1 +ATOM 2204 O OG SER 291 . . A 1 -3.357 56.01 67.071 1 33.63 ? OG SER 291 A 1 +ATOM 2205 N N PHE 292 . . A 1 -3.239 54.985 63.879 1 17.03 ? N PHE 292 A 1 +ATOM 2206 C CA PHE 292 . . A 1 -3.854 54.779 62.57 1 16.67 ? CA PHE 292 A 1 +ATOM 2207 C C PHE 292 . . A 1 -2.927 55.452 61.567 1 16.8 ? C PHE 292 A 1 +ATOM 2208 O O PHE 292 . . A 1 -2.77 56.67 61.518 1 15.5 ? O PHE 292 A 1 +ATOM 2209 C CB PHE 292 . . A 1 -5.27 55.372 62.539 1 17.52 ? CB PHE 292 A 1 +ATOM 2210 C CG PHE 292 . . A 1 -6.134 54.657 63.543 1 17.08 ? CG PHE 292 A 1 +ATOM 2211 C CD1 PHE 292 . . A 1 -6.5 53.322 63.309 1 15.4 ? CD1 PHE 292 A 1 +ATOM 2212 C CD2 PHE 292 . . A 1 -6.55 55.293 64.726 1 18.33 ? CD2 PHE 292 A 1 +ATOM 2213 C CE1 PHE 292 . . A 1 -7.267 52.62 64.249 1 18.53 ? CE1 PHE 292 A 1 +ATOM 2214 C CE2 PHE 292 . . A 1 -7.321 54.589 65.666 1 17.4 ? CE2 PHE 292 A 1 +ATOM 2215 C CZ PHE 292 . . A 1 -7.677 53.255 65.429 1 14.64 ? CZ PHE 292 A 1 +ATOM 2216 N N VAL 293 . . A 1 -2.289 54.601 60.776 1 12.34 ? N VAL 293 A 1 +ATOM 2217 C CA VAL 293 . . A 1 -1.336 55.08 59.827 1 8.67 ? CA VAL 293 A 1 +ATOM 2218 C C VAL 293 . . A 1 -1.555 54.254 58.525 1 12.18 ? C VAL 293 A 1 +ATOM 2219 O O VAL 293 . . A 1 -2.342 53.305 58.56 1 16.8 ? O VAL 293 A 1 +ATOM 2220 C CB VAL 293 . . A 1 -0.041 54.883 60.652 1 4.33 ? CB VAL 293 A 1 +ATOM 2221 C CG1 VAL 293 . . A 1 0.6 53.521 60.414 1 2 ? CG1 VAL 293 A 1 +ATOM 2222 C CG2 VAL 293 . . A 1 0.897 56.091 60.681 1 2 ? CG2 VAL 293 A 1 +ATOM 2223 N N PRO 294 . . A 1 -0.904 54.629 57.388 1 9.3 ? N PRO 294 A 1 +ATOM 2224 C CA PRO 294 . . A 1 -0.938 53.815 56.186 1 8.79 ? CA PRO 294 A 1 +ATOM 2225 C C PRO 294 . . A 1 -0.599 52.352 56.371 1 10.5 ? C PRO 294 A 1 +ATOM 2226 O O PRO 294 . . A 1 0.323 51.972 57.076 1 9.56 ? O PRO 294 A 1 +ATOM 2227 C CB PRO 294 . . A 1 0.094 54.478 55.268 1 6.8 ? CB PRO 294 A 1 +ATOM 2228 C CG PRO 294 . . A 1 0.162 55.948 55.71 1 6.81 ? CG PRO 294 A 1 +ATOM 2229 C CD PRO 294 . . A 1 -0.242 55.919 57.186 1 9.07 ? CD PRO 294 A 1 +ATOM 2230 N N VAL 295 . . A 1 -1.359 51.52 55.684 1 11.41 ? N VAL 295 A 1 +ATOM 2231 C CA VAL 295 . . A 1 -1.144 50.105 55.753 1 11.66 ? CA VAL 295 A 1 +ATOM 2232 C C VAL 295 . . A 1 -0.563 49.626 54.426 1 11.36 ? C VAL 295 A 1 +ATOM 2233 O O VAL 295 . . A 1 -0.921 50.1 53.345 1 15.72 ? O VAL 295 A 1 +ATOM 2234 C CB VAL 295 . . A 1 -2.5 49.475 56.064 1 11.25 ? CB VAL 295 A 1 +ATOM 2235 C CG1 VAL 295 . . A 1 -3.536 49.665 54.957 1 11.82 ? CG1 VAL 295 A 1 +ATOM 2236 C CG2 VAL 295 . . A 1 -2.383 48.012 56.439 1 13.92 ? CG2 VAL 295 A 1 +ATOM 2237 N N ILE 296 . . A 1 0.332 48.65 54.494 1 7.67 ? N ILE 296 A 1 +ATOM 2238 C CA ILE 296 . . A 1 0.909 48.108 53.269 1 9.07 ? CA ILE 296 A 1 +ATOM 2239 C C ILE 296 . . A 1 -0.113 47.067 52.819 1 13.22 ? C ILE 296 A 1 +ATOM 2240 O O ILE 296 . . A 1 -0.081 45.901 53.17 1 16.51 ? O ILE 296 A 1 +ATOM 2241 C CB ILE 296 . . A 1 2.32 47.588 53.556 1 3.19 ? CB ILE 296 A 1 +ATOM 2242 C CG1 ILE 296 . . A 1 3.177 48.649 54.284 1 7.61 ? CG1 ILE 296 A 1 +ATOM 2243 C CG2 ILE 296 . . A 1 3.046 47.123 52.298 1 9.21 ? CG2 ILE 296 A 1 +ATOM 2244 C CD1 ILE 296 . . A 1 3.414 49.937 53.482 1 2 ? CD1 ILE 296 A 1 +ATOM 2245 N N ASP 297 . . A 1 -1.079 47.551 52.048 1 17.57 ? N ASP 297 A 1 +ATOM 2246 C CA ASP 297 . . A 1 -2.187 46.71 51.598 1 18.19 ? CA ASP 297 A 1 +ATOM 2247 C C ASP 297 . . A 1 -2.087 45.968 50.305 1 18.63 ? C ASP 297 A 1 +ATOM 2248 O O ASP 297 . . A 1 -3.04 45.291 49.965 1 20.4 ? O ASP 297 A 1 +ATOM 2249 C CB ASP 297 . . A 1 -3.443 47.587 51.441 1 21.53 ? CB ASP 297 A 1 +ATOM 2250 C CG ASP 297 . . A 1 -3.249 48.707 50.408 1 25.52 ? CG ASP 297 A 1 +ATOM 2251 O OD1 ASP 297 . . A 1 -2.118 48.919 49.965 1 25.27 ? OD1 ASP 297 A 1 +ATOM 2252 O OD2 ASP 297 . . A 1 -4.229 49.36 50.045 1 30.02 ? OD2 ASP 297 A 1 +ATOM 2253 N N GLY 298 . . A 1 -1.035 46.149 49.527 1 19.76 ? N GLY 298 A 1 +ATOM 2254 C CA GLY 298 . . A 1 -1.012 45.399 48.265 1 20.13 ? CA GLY 298 A 1 +ATOM 2255 C C GLY 298 . . A 1 -1.68 46.119 47.101 1 21.29 ? C GLY 298 A 1 +ATOM 2256 O O GLY 298 . . A 1 -1.65 45.683 45.964 1 21.74 ? O GLY 298 A 1 +ATOM 2257 N N GLU 299 . . A 1 -2.354 47.242 47.391 1 24.12 ? N GLU 299 A 1 +ATOM 2258 C CA GLU 299 . . A 1 -2.987 48.004 46.305 1 25.75 ? CA GLU 299 A 1 +ATOM 2259 C C GLU 299 . . A 1 -2.149 49.253 46.134 1 24.4 ? C GLU 299 A 1 +ATOM 2260 O O GLU 299 . . A 1 -1.33 49.372 45.239 1 26.48 ? O GLU 299 A 1 +ATOM 2261 C CB GLU 299 . . A 1 -4.484 48.325 46.503 1 25.83 ? CB GLU 299 A 1 +ATOM 2262 C CG GLU 299 . . A 1 -5.398 47.079 46.58 1 32.58 ? CG GLU 299 A 1 +ATOM 2263 N N PHE 300 . . A 1 -2.35 50.184 47.083 1 18.19 ? N PHE 300 A 1 +ATOM 2264 C CA PHE 300 . . A 1 -1.59 51.437 47.05 1 12.45 ? CA PHE 300 A 1 +ATOM 2265 C C PHE 300 . . A 1 -0.093 51.132 46.92 1 11.34 ? C PHE 300 A 1 +ATOM 2266 O O PHE 300 . . A 1 0.658 51.681 46.131 1 13.48 ? O PHE 300 A 1 +ATOM 2267 C CB PHE 300 . . A 1 -1.975 52.258 48.291 1 7.9 ? CB PHE 300 A 1 +ATOM 2268 C CG PHE 300 . . A 1 -1.758 53.743 48.144 1 2.53 ? CG PHE 300 A 1 +ATOM 2269 C CD1 PHE 300 . . A 1 -0.45 54.264 48.217 1 2 ? CD1 PHE 300 A 1 +ATOM 2270 C CD2 PHE 300 . . A 1 -2.854 54.617 47.978 1 2 ? CD2 PHE 300 A 1 +ATOM 2271 C CE1 PHE 300 . . A 1 -0.238 55.646 48.138 1 2 ? CE1 PHE 300 A 1 +ATOM 2272 C CE2 PHE 300 . . A 1 -2.636 56.001 47.897 1 2.42 ? CE2 PHE 300 A 1 +ATOM 2273 C CZ PHE 300 . . A 1 -1.329 56.516 47.975 1 2 ? CZ PHE 300 A 1 +ATOM 2274 N N PHE 301 . . A 1 0.338 50.182 47.74 1 13.91 ? N PHE 301 A 1 +ATOM 2275 C CA PHE 301 . . A 1 1.728 49.748 47.685 1 16.4 ? CA PHE 301 A 1 +ATOM 2276 C C PHE 301 . . A 1 1.552 48.355 47.154 1 17.78 ? C PHE 301 A 1 +ATOM 2277 O O PHE 301 . . A 1 0.813 47.606 47.779 1 18.74 ? O PHE 301 A 1 +ATOM 2278 C CB PHE 301 . . A 1 2.442 49.68 49.055 1 12.1 ? CB PHE 301 A 1 +ATOM 2279 C CG PHE 301 . . A 1 2.334 50.999 49.759 1 8.05 ? CG PHE 301 A 1 +ATOM 2280 C CD1 PHE 301 . . A 1 3.19 52.053 49.41 1 8.6 ? CD1 PHE 301 A 1 +ATOM 2281 C CD2 PHE 301 . . A 1 1.335 51.199 50.731 1 7.13 ? CD2 PHE 301 A 1 +ATOM 2282 C CE1 PHE 301 . . A 1 3.033 53.309 50.021 1 11.99 ? CE1 PHE 301 A 1 +ATOM 2283 C CE2 PHE 301 . . A 1 1.18 52.448 51.337 1 7.18 ? CE2 PHE 301 A 1 +ATOM 2284 C CZ PHE 301 . . A 1 2.027 53.509 50.983 1 6.39 ? CZ PHE 301 A 1 +ATOM 2285 N N PRO 302 . . A 1 2.178 48.011 46.027 1 22.94 ? N PRO 302 A 1 +ATOM 2286 C CA PRO 302 . . A 1 2.077 46.642 45.548 1 24.21 ? CA PRO 302 A 1 +ATOM 2287 C C PRO 302 . . A 1 2.809 45.66 46.448 1 26.54 ? C PRO 302 A 1 +ATOM 2288 O O PRO 302 . . A 1 2.337 44.569 46.749 1 30.3 ? O PRO 302 A 1 +ATOM 2289 C CB PRO 302 . . A 1 2.681 46.708 44.135 1 22.95 ? CB PRO 302 A 1 +ATOM 2290 C CG PRO 302 . . A 1 3.442 48.048 44.018 1 21.28 ? CG PRO 302 A 1 +ATOM 2291 C CD PRO 302 . . A 1 2.862 48.938 45.116 1 25.04 ? CD PRO 302 A 1 +ATOM 2292 N N THR 303 . . A 1 4.011 46.07 46.872 1 24.95 ? N THR 303 A 1 +ATOM 2293 C CA THR 303 . . A 1 4.819 45.204 47.717 1 23.35 ? CA THR 303 A 1 +ATOM 2294 C C THR 303 . . A 1 5.359 46.023 48.858 1 21.75 ? C THR 303 A 1 +ATOM 2295 O O THR 303 . . A 1 5.061 47.188 49.08 1 22.57 ? O THR 303 A 1 +ATOM 2296 C CB THR 303 . . A 1 5.96 44.619 46.857 1 24.02 ? CB THR 303 A 1 +ATOM 2297 O OG1 THR 303 . . A 1 5.373 44.118 45.672 1 35.66 ? OG1 THR 303 A 1 +ATOM 2298 C CG2 THR 303 . . A 1 6.781 43.426 47.395 1 32.95 ? CG2 THR 303 A 1 +ATOM 2299 N N SER 304 . . A 1 6.179 45.353 49.634 1 19.64 ? N SER 304 A 1 +ATOM 2300 C CA SER 304 . . A 1 6.777 46.036 50.737 1 22 ? CA SER 304 A 1 +ATOM 2301 C C SER 304 . . A 1 7.647 47.171 50.223 1 20.4 ? C SER 304 A 1 +ATOM 2302 O O SER 304 . . A 1 8.325 47.026 49.214 1 21.63 ? O SER 304 A 1 +ATOM 2303 C CB SER 304 . . A 1 7.617 45.022 51.523 1 25.76 ? CB SER 304 A 1 +ATOM 2304 O OG SER 304 . . A 1 8.746 44.583 50.764 1 28.88 ? OG SER 304 A 1 +ATOM 2305 N N LEU 305 . . A 1 7.668 48.268 50.974 1 17.53 ? N LEU 305 A 1 +ATOM 2306 C CA LEU 305 . . A 1 8.469 49.379 50.532 1 16.57 ? CA LEU 305 A 1 +ATOM 2307 C C LEU 305 . . A 1 9.931 49.02 50.352 1 19.69 ? C LEU 305 A 1 +ATOM 2308 O O LEU 305 . . A 1 10.656 49.623 49.579 1 24.75 ? O LEU 305 A 1 +ATOM 2309 C CB LEU 305 . . A 1 8.384 50.527 51.537 1 12.69 ? CB LEU 305 A 1 +ATOM 2310 C CG LEU 305 . . A 1 6.978 50.885 52.035 1 13 ? CG LEU 305 A 1 +ATOM 2311 C CD1 LEU 305 . . A 1 7.04 52.244 52.743 1 15.7 ? CD1 LEU 305 A 1 +ATOM 2312 C CD2 LEU 305 . . A 1 5.92 50.939 50.919 1 16.88 ? CD2 LEU 305 A 1 +ATOM 2313 N N GLU 306 . . A 1 10.385 48.013 51.088 1 21.26 ? N GLU 306 A 1 +ATOM 2314 C CA GLU 306 . . A 1 11.788 47.694 50.939 1 23.53 ? CA GLU 306 A 1 +ATOM 2315 C C GLU 306 . . A 1 12.068 47.065 49.589 1 26.4 ? C GLU 306 A 1 +ATOM 2316 O O GLU 306 . . A 1 13.099 47.362 48.988 1 26.99 ? O GLU 306 A 1 +ATOM 2317 C CB GLU 306 . . A 1 12.304 46.861 52.115 1 27.54 ? CB GLU 306 A 1 +ATOM 2318 C CG GLU 306 . . A 1 13.848 46.784 52.138 1 36.12 ? CG GLU 306 A 1 +ATOM 2319 C CD GLU 306 . . A 1 14.553 48.135 52.349 1 42.13 ? CD GLU 306 A 1 +ATOM 2320 O OE1 GLU 306 . . A 1 13.897 49.103 52.749 1 48.53 ? OE1 GLU 306 A 1 +ATOM 2321 O OE2 GLU 306 . . A 1 15.763 48.207 52.113 1 41.09 ? OE2 GLU 306 A 1 +ATOM 2322 N N SER 307 . . A 1 11.155 46.186 49.122 1 24.56 ? N SER 307 A 1 +ATOM 2323 C CA SER 307 . . A 1 11.386 45.608 47.794 1 23.34 ? CA SER 307 A 1 +ATOM 2324 C C SER 307 . . A 1 11.332 46.696 46.751 1 22.27 ? C SER 307 A 1 +ATOM 2325 O O SER 307 . . A 1 12.171 46.808 45.879 1 25.5 ? O SER 307 A 1 +ATOM 2326 C CB SER 307 . . A 1 10.291 44.624 47.401 1 25.32 ? CB SER 307 A 1 +ATOM 2327 O OG SER 307 . . A 1 10.486 43.433 48.131 1 35.53 ? OG SER 307 A 1 +ATOM 2328 N N MET 308 . . A 1 10.309 47.54 46.867 1 18.81 ? N MET 308 A 1 +ATOM 2329 C CA MET 308 . . A 1 10.191 48.616 45.913 1 14.66 ? CA MET 308 A 1 +ATOM 2330 C C MET 308 . . A 1 11.475 49.436 45.845 1 16.78 ? C MET 308 A 1 +ATOM 2331 O O MET 308 . . A 1 12.003 49.676 44.766 1 18.54 ? O MET 308 A 1 +ATOM 2332 C CB MET 308 . . A 1 8.931 49.437 46.194 1 10.18 ? CB MET 308 A 1 +ATOM 2333 C CG MET 308 . . A 1 7.683 48.546 46.106 1 9.23 ? CG MET 308 A 1 +ATOM 2334 S SD MET 308 . . A 1 6.168 49.53 46.289 1 18.45 ? SD MET 308 A 1 +ATOM 2335 C CE MET 308 . . A 1 6.091 50.363 44.685 1 12.01 ? CE MET 308 A 1 +ATOM 2336 N N LEU 309 . . A 1 11.991 49.825 47.011 1 16.99 ? N LEU 309 A 1 +ATOM 2337 C CA LEU 309 . . A 1 13.222 50.592 46.993 1 17.95 ? CA LEU 309 A 1 +ATOM 2338 C C LEU 309 . . A 1 14.345 49.795 46.357 1 17.65 ? C LEU 309 A 1 +ATOM 2339 O O LEU 309 . . A 1 15.151 50.301 45.592 1 16.1 ? O LEU 309 A 1 +ATOM 2340 C CB LEU 309 . . A 1 13.666 51.032 48.407 1 17.08 ? CB LEU 309 A 1 +ATOM 2341 C CG LEU 309 . . A 1 12.687 52.013 49.072 1 19.36 ? CG LEU 309 A 1 +ATOM 2342 C CD1 LEU 309 . . A 1 12.952 52.089 50.571 1 21.6 ? CD1 LEU 309 A 1 +ATOM 2343 C CD2 LEU 309 . . A 1 12.728 53.417 48.462 1 21.39 ? CD2 LEU 309 A 1 +ATOM 2344 N N ASN 310 . . A 1 14.386 48.511 46.68 1 21 ? N ASN 310 A 1 +ATOM 2345 C CA ASN 310 . . A 1 15.469 47.696 46.131 1 24.25 ? CA ASN 310 A 1 +ATOM 2346 C C ASN 310 . . A 1 15.341 47.42 44.651 1 23.67 ? C ASN 310 A 1 +ATOM 2347 O O ASN 310 . . A 1 16.341 47.175 43.994 1 28.49 ? O ASN 310 A 1 +ATOM 2348 C CB ASN 310 . . A 1 15.643 46.361 46.879 1 22.68 ? CB ASN 310 A 1 +ATOM 2349 N N SER 311 . . A 1 14.126 47.47 44.12 1 22.33 ? N SER 311 A 1 +ATOM 2350 C CA SER 311 . . A 1 13.956 47.185 42.7 1 20.64 ? CA SER 311 A 1 +ATOM 2351 C C SER 311 . . A 1 13.793 48.386 41.819 1 19.56 ? C SER 311 A 1 +ATOM 2352 O O SER 311 . . A 1 13.63 48.256 40.625 1 23.99 ? O SER 311 A 1 +ATOM 2353 C CB SER 311 . . A 1 12.68 46.37 42.501 1 17.52 ? CB SER 311 A 1 +ATOM 2354 O OG SER 311 . . A 1 12.759 45.201 43.314 1 28.32 ? OG SER 311 A 1 +ATOM 2355 N N GLY 312 . . A 1 13.792 49.586 42.366 1 22.66 ? N GLY 312 A 1 +ATOM 2356 C CA GLY 312 . . A 1 13.59 50.708 41.45 1 16.05 ? CA GLY 312 A 1 +ATOM 2357 C C GLY 312 . . A 1 12.176 50.853 41.018 1 15.93 ? C GLY 312 A 1 +ATOM 2358 O O GLY 312 . . A 1 11.823 51.512 40.05 1 16.26 ? O GLY 312 A 1 +ATOM 2359 N N ASN 313 . . A 1 11.317 50.212 41.788 1 13.55 ? N ASN 313 A 1 +ATOM 2360 C CA ASN 313 . . A 1 9.934 50.273 41.428 1 12.79 ? CA ASN 313 A 1 +ATOM 2361 C C ASN 313 . . A 1 9.345 51.562 41.939 1 14.18 ? C ASN 313 A 1 +ATOM 2362 O O ASN 313 . . A 1 8.511 51.543 42.827 1 17.05 ? O ASN 313 A 1 +ATOM 2363 C CB ASN 313 . . A 1 9.246 49.058 42.036 1 9.57 ? CB ASN 313 A 1 +ATOM 2364 C CG ASN 313 . . A 1 7.795 48.867 41.661 1 9.15 ? CG ASN 313 A 1 +ATOM 2365 O OD1 ASN 313 . . A 1 7.154 47.935 42.126 1 17.83 ? OD1 ASN 313 A 1 +ATOM 2366 N ND2 ASN 313 . . A 1 7.261 49.725 40.809 1 7.64 ? ND2 ASN 313 A 1 +ATOM 2367 N N PHE 314 . . A 1 9.769 52.687 41.365 1 12.17 ? N PHE 314 A 1 +ATOM 2368 C CA PHE 314 . . A 1 9.246 53.96 41.811 1 11.47 ? CA PHE 314 A 1 +ATOM 2369 C C PHE 314 . . A 1 9.491 55.002 40.742 1 9.09 ? C PHE 314 A 1 +ATOM 2370 O O PHE 314 . . A 1 10.292 54.813 39.841 1 11.88 ? O PHE 314 A 1 +ATOM 2371 C CB PHE 314 . . A 1 9.927 54.378 43.142 1 8.27 ? CB PHE 314 A 1 +ATOM 2372 C CG PHE 314 . . A 1 11.439 54.212 43.19 1 5.34 ? CG PHE 314 A 1 +ATOM 2373 C CD1 PHE 314 . . A 1 12.275 55.125 42.522 1 5.5 ? CD1 PHE 314 A 1 +ATOM 2374 C CD2 PHE 314 . . A 1 12.032 53.161 43.921 1 6.88 ? CD2 PHE 314 A 1 +ATOM 2375 C CE1 PHE 314 . . A 1 13.67 55.013 42.589 1 5.64 ? CE1 PHE 314 A 1 +ATOM 2376 C CE2 PHE 314 . . A 1 13.434 53.046 43.99 1 6.23 ? CE2 PHE 314 A 1 +ATOM 2377 C CZ PHE 314 . . A 1 14.252 53.974 43.326 1 8.11 ? CZ PHE 314 A 1 +ATOM 2378 N N LYS 315 . . A 1 8.78 56.117 40.865 1 6.19 ? N LYS 315 A 1 +ATOM 2379 C CA LYS 315 . . A 1 8.949 57.212 39.93 1 5.55 ? CA LYS 315 A 1 +ATOM 2380 C C LYS 315 . . A 1 10.401 57.689 39.991 1 8.59 ? C LYS 315 A 1 +ATOM 2381 O O LYS 315 . . A 1 10.94 57.798 41.078 1 11.14 ? O LYS 315 A 1 +ATOM 2382 C CB LYS 315 . . A 1 8.034 58.359 40.375 1 2 ? CB LYS 315 A 1 +ATOM 2383 C CG LYS 315 . . A 1 7.791 59.418 39.309 1 2 ? CG LYS 315 A 1 +ATOM 2384 C CD LYS 315 . . A 1 6.984 60.602 39.844 1 5.62 ? CD LYS 315 A 1 +ATOM 2385 C CE LYS 315 . . A 1 7.012 61.841 38.941 1 2.23 ? CE LYS 315 A 1 +ATOM 2386 N NZ LYS 315 . . A 1 6.314 61.584 37.702 1 7.21 ? NZ LYS 315 A 1 +ATOM 2387 N N LYS 316 . . A 1 11.009 57.995 38.832 1 11.74 ? N LYS 316 A 1 +ATOM 2388 C CA LYS 316 . . A 1 12.404 58.456 38.78 1 11.54 ? CA LYS 316 A 1 +ATOM 2389 C C LYS 316 . . A 1 12.451 59.858 38.24 1 13.56 ? C LYS 316 A 1 +ATOM 2390 O O LYS 316 . . A 1 12.348 60.074 37.049 1 20.69 ? O LYS 316 A 1 +ATOM 2391 C CB LYS 316 . . A 1 13.171 57.521 37.864 1 8.26 ? CB LYS 316 A 1 +ATOM 2392 C CG LYS 316 . . A 1 13.127 56.119 38.485 1 16.81 ? CG LYS 316 A 1 +ATOM 2393 C CD LYS 316 . . A 1 13.289 54.969 37.505 1 20.85 ? CD LYS 316 A 1 +ATOM 2394 C CE LYS 316 . . A 1 12.902 53.663 38.201 1 26.47 ? CE LYS 316 A 1 +ATOM 2395 N NZ LYS 316 . . A 1 13.286 52.521 37.401 1 38.01 ? NZ LYS 316 A 1 +ATOM 2396 N N THR 317 . . A 1 12.594 60.814 39.134 1 14.01 ? N THR 317 A 1 +ATOM 2397 C CA THR 317 . . A 1 12.652 62.244 38.864 1 9.79 ? CA THR 317 A 1 +ATOM 2398 C C THR 317 . . A 1 13.686 62.692 39.841 1 10.09 ? C THR 317 A 1 +ATOM 2399 O O THR 317 . . A 1 14.387 61.834 40.377 1 14.11 ? O THR 317 A 1 +ATOM 2400 C CB THR 317 . . A 1 11.268 62.826 39.158 1 8.4 ? CB THR 317 A 1 +ATOM 2401 O OG1 THR 317 . . A 1 11.163 64.217 38.919 1 3.2 ? OG1 THR 317 A 1 +ATOM 2402 C CG2 THR 317 . . A 1 10.726 62.508 40.561 1 13.38 ? CG2 THR 317 A 1 +ATOM 2403 N N GLN 318 . . A 1 13.803 63.988 40.092 1 6.37 ? N GLN 318 A 1 +ATOM 2404 C CA GLN 318 . . A 1 14.777 64.42 41.073 1 12.87 ? CA GLN 318 A 1 +ATOM 2405 C C GLN 318 . . A 1 13.988 64.827 42.278 1 14.14 ? C GLN 318 A 1 +ATOM 2406 O O GLN 318 . . A 1 12.856 65.269 42.127 1 16.56 ? O GLN 318 A 1 +ATOM 2407 C CB GLN 318 . . A 1 15.678 65.574 40.599 1 15.58 ? CB GLN 318 A 1 +ATOM 2408 C CG GLN 318 . . A 1 14.988 66.667 39.762 1 19.31 ? CG GLN 318 A 1 +ATOM 2409 C CD GLN 318 . . A 1 14.54 66.13 38.419 1 22.16 ? CD GLN 318 A 1 +ATOM 2410 O OE1 GLN 318 . . A 1 13.369 66.144 38.104 1 23.76 ? OE1 GLN 318 A 1 +ATOM 2411 N NE2 GLN 318 . . A 1 15.466 65.585 37.653 1 23.65 ? NE2 GLN 318 A 1 +ATOM 2412 N N ILE 319 . . A 1 14.601 64.668 43.46 1 14.51 ? N ILE 319 A 1 +ATOM 2413 C CA ILE 319 . . A 1 13.962 65.028 44.715 1 13.89 ? CA ILE 319 A 1 +ATOM 2414 C C ILE 319 . . A 1 14.935 65.892 45.481 1 13.76 ? C ILE 319 A 1 +ATOM 2415 O O ILE 319 . . A 1 16.143 65.848 45.224 1 15.41 ? O ILE 319 A 1 +ATOM 2416 C CB ILE 319 . . A 1 13.606 63.764 45.533 1 8.68 ? CB ILE 319 A 1 +ATOM 2417 C CG1 ILE 319 . . A 1 14.81 62.833 45.701 1 9.47 ? CG1 ILE 319 A 1 +ATOM 2418 C CG2 ILE 319 . . A 1 12.439 63.029 44.879 1 8.02 ? CG2 ILE 319 A 1 +ATOM 2419 C CD1 ILE 319 . . A 1 14.535 61.645 46.616 1 10.02 ? CD1 ILE 319 A 1 +ATOM 2420 N N LEU 320 . . A 1 14.374 66.653 46.433 1 12.95 ? N LEU 320 A 1 +ATOM 2421 C CA LEU 320 . . A 1 15.133 67.534 47.325 1 13.55 ? CA LEU 320 A 1 +ATOM 2422 C C LEU 320 . . A 1 14.604 67.179 48.708 1 16.92 ? C LEU 320 A 1 +ATOM 2423 O O LEU 320 . . A 1 13.402 67.3 48.938 1 17.93 ? O LEU 320 A 1 +ATOM 2424 C CB LEU 320 . . A 1 14.885 68.995 46.946 1 10.04 ? CB LEU 320 A 1 +ATOM 2425 C CG LEU 320 . . A 1 15.616 70.015 47.806 1 2.89 ? CG LEU 320 A 1 +ATOM 2426 C CD1 LEU 320 . . A 1 15.902 71.283 46.999 1 2 ? CD1 LEU 320 A 1 +ATOM 2427 C CD2 LEU 320 . . A 1 14.777 70.365 49.034 1 2 ? CD2 LEU 320 A 1 +ATOM 2428 N N LEU 321 . . A 1 15.471 66.724 49.628 1 19.13 ? N LEU 321 A 1 +ATOM 2429 C CA LEU 321 . . A 1 14.983 66.334 50.959 1 20.76 ? CA LEU 321 A 1 +ATOM 2430 C C LEU 321 . . A 1 15.948 66.716 52.073 1 21.85 ? C LEU 321 A 1 +ATOM 2431 O O LEU 321 . . A 1 17.08 67.123 51.823 1 21.77 ? O LEU 321 A 1 +ATOM 2432 C CB LEU 321 . . A 1 14.567 64.848 50.994 1 13.85 ? CB LEU 321 A 1 +ATOM 2433 C CG LEU 321 . . A 1 15.662 63.771 50.878 1 10.01 ? CG LEU 321 A 1 +ATOM 2434 C CD1 LEU 321 . . A 1 14.969 62.419 50.669 1 14.33 ? CD1 LEU 321 A 1 +ATOM 2435 C CD2 LEU 321 . . A 1 16.697 64.033 49.786 1 12.34 ? CD2 LEU 321 A 1 +ATOM 2436 N N GLY 322 . . A 1 15.474 66.606 53.323 1 20.68 ? N GLY 322 A 1 +ATOM 2437 C CA GLY 322 . . A 1 16.364 66.975 54.413 1 21.02 ? CA GLY 322 A 1 +ATOM 2438 C C GLY 322 . . A 1 15.837 66.67 55.788 1 20.39 ? C GLY 322 A 1 +ATOM 2439 O O GLY 322 . . A 1 14.748 66.148 56.012 1 17.65 ? O GLY 322 A 1 +ATOM 2440 N N VAL 323 . . A 1 16.676 67.039 56.737 1 19.21 ? N VAL 323 A 1 +ATOM 2441 C CA VAL 323 . . A 1 16.454 66.802 58.135 1 16.39 ? CA VAL 323 A 1 +ATOM 2442 C C VAL 323 . . A 1 16.833 68.06 58.918 1 18.43 ? C VAL 323 A 1 +ATOM 2443 O O VAL 323 . . A 1 17.569 68.917 58.453 1 21.23 ? O VAL 323 A 1 +ATOM 2444 C CB VAL 323 . . A 1 17.385 65.595 58.39 1 13.97 ? CB VAL 323 A 1 +ATOM 2445 C CG1 VAL 323 . . A 1 18.247 65.66 59.636 1 22.44 ? CG1 VAL 323 A 1 +ATOM 2446 C CG2 VAL 323 . . A 1 16.668 64.246 58.256 1 12.08 ? CG2 VAL 323 A 1 +ATOM 2447 N N ASN 324 . . A 1 16.312 68.13 60.14 1 19.64 ? N ASN 324 A 1 +ATOM 2448 C CA ASN 324 . . A 1 16.576 69.232 61.065 1 20.25 ? CA ASN 324 A 1 +ATOM 2449 C C ASN 324 . . A 1 17.483 68.638 62.123 1 18.45 ? C ASN 324 A 1 +ATOM 2450 O O ASN 324 . . A 1 17.417 67.451 62.429 1 17.84 ? O ASN 324 A 1 +ATOM 2451 C CB ASN 324 . . A 1 15.325 69.717 61.812 1 22.56 ? CB ASN 324 A 1 +ATOM 2452 C CG ASN 324 . . A 1 14.487 70.641 60.991 1 27.51 ? CG ASN 324 A 1 +ATOM 2453 O OD1 ASN 324 . . A 1 14.739 70.895 59.826 1 37.47 ? OD1 ASN 324 A 1 +ATOM 2454 N ND2 ASN 324 . . A 1 13.44 71.163 61.614 1 29.83 ? ND2 ASN 324 A 1 +ATOM 2455 N N LYS 325 . . A 1 18.277 69.49 62.736 1 16.85 ? N LYS 325 A 1 +ATOM 2456 C CA LYS 325 . . A 1 19.209 69.004 63.749 1 18.86 ? CA LYS 325 A 1 +ATOM 2457 C C LYS 325 . . A 1 18.633 68.269 64.972 1 19.76 ? C LYS 325 A 1 +ATOM 2458 O O LYS 325 . . A 1 19.155 67.238 65.376 1 22.32 ? O LYS 325 A 1 +ATOM 2459 C CB LYS 325 . . A 1 20.041 70.206 64.203 1 19.84 ? CB LYS 325 A 1 +ATOM 2460 C CG LYS 325 . . A 1 21.235 69.913 65.106 1 18.37 ? CG LYS 325 A 1 +ATOM 2461 C CD LYS 325 . . A 1 21.879 71.216 65.602 1 23.69 ? CD LYS 325 A 1 +ATOM 2462 C CE LYS 325 . . A 1 22.953 70.945 66.686 1 31.93 ? CE LYS 325 A 1 +ATOM 2463 N N ASP 326 . . A 1 17.564 68.8 65.589 1 19 ? N ASP 326 A 1 +ATOM 2464 C CA ASP 326 . . A 1 16.997 68.168 66.786 1 15.13 ? CA ASP 326 A 1 +ATOM 2465 C C ASP 326 . . A 1 15.582 67.685 66.541 1 15.41 ? C ASP 326 A 1 +ATOM 2466 O O ASP 326 . . A 1 14.554 68.246 66.915 1 17.38 ? O ASP 326 A 1 +ATOM 2467 C CB ASP 326 . . A 1 17.045 69.147 67.964 1 14.86 ? CB ASP 326 A 1 +ATOM 2468 C CG ASP 326 . . A 1 18.481 69.585 68.202 1 15.21 ? CG ASP 326 A 1 +ATOM 2469 O OD1 ASP 326 . . A 1 19.246 68.787 68.744 1 12.3 ? OD1 ASP 326 A 1 +ATOM 2470 O OD2 ASP 326 . . A 1 18.837 70.705 67.836 1 17.21 ? OD2 ASP 326 A 1 +ATOM 2471 N N GLU 327 . . A 1 15.548 66.544 65.869 1 15.52 ? N GLU 327 A 1 +ATOM 2472 C CA GLU 327 . . A 1 14.229 66.004 65.564 1 13.42 ? CA GLU 327 A 1 +ATOM 2473 C C GLU 327 . . A 1 13.532 65.379 66.751 1 10.57 ? C GLU 327 A 1 +ATOM 2474 O O GLU 327 . . A 1 12.316 65.3 66.771 1 9.81 ? O GLU 327 A 1 +ATOM 2475 C CB GLU 327 . . A 1 14.333 64.889 64.496 1 17.15 ? CB GLU 327 A 1 +ATOM 2476 C CG GLU 327 . . A 1 14.964 65.334 63.166 1 18.52 ? CG GLU 327 A 1 +ATOM 2477 C CD GLU 327 . . A 1 13.97 66.056 62.282 1 19.62 ? CD GLU 327 A 1 +ATOM 2478 O OE1 GLU 327 . . A 1 12.931 66.484 62.781 1 21.93 ? OE1 GLU 327 A 1 +ATOM 2479 O OE2 GLU 327 . . A 1 14.237 66.179 61.09 1 16.45 ? OE2 GLU 327 A 1 +ATOM 2480 N N GLY 328 . . A 1 14.326 64.899 67.718 1 11.45 ? N GLY 328 A 1 +ATOM 2481 C CA GLY 328 . . A 1 13.742 64.223 68.891 1 9.29 ? CA GLY 328 A 1 +ATOM 2482 C C GLY 328 . . A 1 13.019 65.075 69.925 1 5.98 ? C GLY 328 A 1 +ATOM 2483 O O GLY 328 . . A 1 11.947 64.733 70.402 1 5.07 ? O GLY 328 A 1 +ATOM 2484 N N SER 329 . . A 1 13.605 66.213 70.25 1 4.05 ? N SER 329 A 1 +ATOM 2485 C CA SER 329 . . A 1 13.07 67.137 71.237 1 6.39 ? CA SER 329 A 1 +ATOM 2486 C C SER 329 . . A 1 11.602 67.111 71.523 1 9.36 ? C SER 329 A 1 +ATOM 2487 O O SER 329 . . A 1 11.178 66.831 72.631 1 15.58 ? O SER 329 A 1 +ATOM 2488 C CB SER 329 . . A 1 13.402 68.587 70.876 1 4.71 ? CB SER 329 A 1 +ATOM 2489 O OG SER 329 . . A 1 14.743 68.55 70.442 1 15.15 ? OG SER 329 A 1 +ATOM 2490 N N PHE 330 . . A 1 10.831 67.435 70.503 1 10.03 ? N PHE 330 A 1 +ATOM 2491 C CA PHE 330 . . A 1 9.388 67.504 70.67 1 9.24 ? CA PHE 330 A 1 +ATOM 2492 C C PHE 330 . . A 1 8.801 66.222 71.233 1 11.37 ? C PHE 330 A 1 +ATOM 2493 O O PHE 330 . . A 1 7.995 66.25 72.151 1 14.67 ? O PHE 330 A 1 +ATOM 2494 C CB PHE 330 . . A 1 8.797 67.941 69.31 1 9.9 ? CB PHE 330 A 1 +ATOM 2495 C CG PHE 330 . . A 1 7.361 67.57 69.09 1 5.23 ? CG PHE 330 A 1 +ATOM 2496 C CD1 PHE 330 . . A 1 6.355 68.074 69.932 1 7.49 ? CD1 PHE 330 A 1 +ATOM 2497 C CD2 PHE 330 . . A 1 7.029 66.699 68.05 1 2 ? CD2 PHE 330 A 1 +ATOM 2498 C CE1 PHE 330 . . A 1 5.016 67.694 69.746 1 5.45 ? CE1 PHE 330 A 1 +ATOM 2499 C CE2 PHE 330 . . A 1 5.702 66.309 67.869 1 6.92 ? CE2 PHE 330 A 1 +ATOM 2500 C CZ PHE 330 . . A 1 4.692 66.803 68.719 1 7.06 ? CZ PHE 330 A 1 +ATOM 2501 N N PHE 331 . . A 1 9.253 65.093 70.703 1 10.22 ? N PHE 331 A 1 +ATOM 2502 C CA PHE 331 . . A 1 8.704 63.827 71.186 1 9.49 ? CA PHE 331 A 1 +ATOM 2503 C C PHE 331 . . A 1 9.104 63.55 72.605 1 10.53 ? C PHE 331 A 1 +ATOM 2504 O O PHE 331 . . A 1 8.302 63.082 73.401 1 18.03 ? O PHE 331 A 1 +ATOM 2505 C CB PHE 331 . . A 1 9.108 62.653 70.283 1 5.51 ? CB PHE 331 A 1 +ATOM 2506 C CG PHE 331 . . A 1 8.718 62.957 68.87 1 7.87 ? CG PHE 331 A 1 +ATOM 2507 C CD1 PHE 331 . . A 1 9.586 63.696 68.044 1 9.94 ? CD1 PHE 331 A 1 +ATOM 2508 C CD2 PHE 331 . . A 1 7.436 62.607 68.414 1 7.15 ? CD2 PHE 331 A 1 +ATOM 2509 C CE1 PHE 331 . . A 1 9.155 64.126 66.787 1 9.44 ? CE1 PHE 331 A 1 +ATOM 2510 C CE2 PHE 331 . . A 1 7.007 63.035 67.154 1 9.46 ? CE2 PHE 331 A 1 +ATOM 2511 C CZ PHE 331 . . A 1 7.863 63.8 66.344 1 11.59 ? CZ PHE 331 A 1 +ATOM 2512 N N LEU 332 . . A 1 10.375 63.847 72.918 1 9.05 ? N LEU 332 A 1 +ATOM 2513 C CA LEU 332 . . A 1 10.84 63.607 74.285 1 7.07 ? CA LEU 332 A 1 +ATOM 2514 C C LEU 332 . . A 1 10.027 64.468 75.245 1 7.31 ? C LEU 332 A 1 +ATOM 2515 O O LEU 332 . . A 1 9.32 63.979 76.117 1 5.4 ? O LEU 332 A 1 +ATOM 2516 C CB LEU 332 . . A 1 12.349 63.825 74.423 1 2 ? CB LEU 332 A 1 +ATOM 2517 C CG LEU 332 . . A 1 13.172 62.733 73.743 1 2 ? CG LEU 332 A 1 +ATOM 2518 C CD1 LEU 332 . . A 1 14.622 63.164 73.595 1 2 ? CD1 LEU 332 A 1 +ATOM 2519 C CD2 LEU 332 . . A 1 13.094 61.403 74.488 1 2 ? CD2 LEU 332 A 1 +ATOM 2520 N N LEU 333 . . A 1 10.102 65.774 75.008 1 4.82 ? N LEU 333 A 1 +ATOM 2521 C CA LEU 333 . . A 1 9.359 66.732 75.799 1 4.67 ? CA LEU 333 A 1 +ATOM 2522 C C LEU 333 . . A 1 7.899 66.344 76.002 1 6.42 ? C LEU 333 A 1 +ATOM 2523 O O LEU 333 . . A 1 7.33 66.523 77.071 1 13.53 ? O LEU 333 A 1 +ATOM 2524 C CB LEU 333 . . A 1 9.46 68.073 75.079 1 6.73 ? CB LEU 333 A 1 +ATOM 2525 C CG LEU 333 . . A 1 8.757 69.31 75.682 1 8.9 ? CG LEU 333 A 1 +ATOM 2526 C CD1 LEU 333 . . A 1 7.382 69.539 75.101 1 9.01 ? CD1 LEU 333 A 1 +ATOM 2527 C CD2 LEU 333 . . A 1 8.713 69.365 77.212 1 12.87 ? CD2 LEU 333 A 1 +ATOM 2528 N N TYR 334 . . A 1 7.28 65.785 74.975 1 6.07 ? N TYR 334 A 1 +ATOM 2529 C CA TYR 334 . . A 1 5.871 65.437 75.152 1 6.57 ? CA TYR 334 A 1 +ATOM 2530 C C TYR 334 . . A 1 5.629 64.108 75.786 1 6.32 ? C TYR 334 A 1 +ATOM 2531 O O TYR 334 . . A 1 4.517 63.901 76.249 1 8.62 ? O TYR 334 A 1 +ATOM 2532 C CB TYR 334 . . A 1 5.054 65.477 73.835 1 5.74 ? CB TYR 334 A 1 +ATOM 2533 C CG TYR 334 . . A 1 4.521 66.852 73.512 1 2 ? CG TYR 334 A 1 +ATOM 2534 C CD1 TYR 334 . . A 1 5.409 67.907 73.254 1 2 ? CD1 TYR 334 A 1 +ATOM 2535 C CD2 TYR 334 . . A 1 3.137 67.079 73.46 1 2 ? CD2 TYR 334 A 1 +ATOM 2536 C CE1 TYR 334 . . A 1 4.912 69.181 72.946 1 5.08 ? CE1 TYR 334 A 1 +ATOM 2537 C CE2 TYR 334 . . A 1 2.633 68.349 73.155 1 2 ? CE2 TYR 334 A 1 +ATOM 2538 C CZ TYR 334 . . A 1 3.521 69.399 72.89 1 4.53 ? CZ TYR 334 A 1 +ATOM 2539 O OH TYR 334 . . A 1 3.049 70.651 72.554 1 11.53 ? OH TYR 334 A 1 +ATOM 2540 N N GLY 335 . . A 1 6.595 63.194 75.819 1 6.87 ? N GLY 335 A 1 +ATOM 2541 C CA GLY 335 . . A 1 6.176 61.96 76.48 1 7.35 ? CA GLY 335 A 1 +ATOM 2542 C C GLY 335 . . A 1 7.252 61.095 77.07 1 9.23 ? C GLY 335 A 1 +ATOM 2543 O O GLY 335 . . A 1 7.053 59.912 77.296 1 7.96 ? O GLY 335 A 1 +ATOM 2544 N N ALA 336 . . A 1 8.413 61.661 77.332 1 10.09 ? N ALA 336 A 1 +ATOM 2545 C CA ALA 336 . . A 1 9.487 60.899 77.92 1 11.9 ? CA ALA 336 A 1 +ATOM 2546 C C ALA 336 . . A 1 9.673 61.485 79.315 1 15.96 ? C ALA 336 A 1 +ATOM 2547 O O ALA 336 . . A 1 9.58 62.702 79.5 1 18.28 ? O ALA 336 A 1 +ATOM 2548 C CB ALA 336 . . A 1 10.768 61.057 77.107 1 15.83 ? CB ALA 336 A 1 +ATOM 2549 N N PRO 337 . . A 1 9.904 60.61 80.308 1 15.53 ? N PRO 337 A 1 +ATOM 2550 C CA PRO 337 . . A 1 9.985 61.082 81.683 1 14.25 ? CA PRO 337 A 1 +ATOM 2551 C C PRO 337 . . A 1 11.283 61.808 82.017 1 15.93 ? C PRO 337 A 1 +ATOM 2552 O O PRO 337 . . A 1 12.366 61.243 81.891 1 15.63 ? O PRO 337 A 1 +ATOM 2553 C CB PRO 337 . . A 1 9.91 59.789 82.5 1 16.93 ? CB PRO 337 A 1 +ATOM 2554 C CG PRO 337 . . A 1 10.331 58.651 81.553 1 17.25 ? CG PRO 337 A 1 +ATOM 2555 C CD PRO 337 . . A 1 9.995 59.158 80.154 1 17.55 ? CD PRO 337 A 1 +ATOM 2556 N N GLY 338 . . A 1 11.154 63.059 82.479 1 14.88 ? N GLY 338 A 1 +ATOM 2557 C CA GLY 338 . . A 1 12.336 63.815 82.855 1 14.54 ? CA GLY 338 A 1 +ATOM 2558 C C GLY 338 . . A 1 12.454 65.113 82.127 1 17.81 ? C GLY 338 A 1 +ATOM 2559 O O GLY 338 . . A 1 13.127 66.053 82.554 1 22.81 ? O GLY 338 A 1 +ATOM 2560 N N PHE 339 . . A 1 11.757 65.184 80.999 1 19.32 ? N PHE 339 A 1 +ATOM 2561 C CA PHE 339 . . A 1 11.838 66.393 80.199 1 13.96 ? CA PHE 339 A 1 +ATOM 2562 C C PHE 339 . . A 1 10.696 67.272 80.539 1 13.96 ? C PHE 339 A 1 +ATOM 2563 O O PHE 339 . . A 1 9.606 66.77 80.776 1 22.31 ? O PHE 339 A 1 +ATOM 2564 C CB PHE 339 . . A 1 11.708 66.044 78.717 1 10.64 ? CB PHE 339 A 1 +ATOM 2565 C CG PHE 339 . . A 1 12.837 65.169 78.27 1 3.88 ? CG PHE 339 A 1 +ATOM 2566 C CD1 PHE 339 . . A 1 12.76 63.776 78.437 1 2.63 ? CD1 PHE 339 A 1 +ATOM 2567 C CD2 PHE 339 . . A 1 13.967 65.743 77.68 1 2 ? CD2 PHE 339 A 1 +ATOM 2568 C CE1 PHE 339 . . A 1 13.811 62.968 78.001 1 2.88 ? CE1 PHE 339 A 1 +ATOM 2569 C CE2 PHE 339 . . A 1 15.001 64.936 77.218 1 2 ? CE2 PHE 339 A 1 +ATOM 2570 C CZ PHE 339 . . A 1 14.928 63.553 77.384 1 2 ? CZ PHE 339 A 1 +ATOM 2571 N N SER 340 . . A 1 10.907 68.57 80.551 1 5.93 ? N SER 340 A 1 +ATOM 2572 C CA SER 340 . . A 1 9.788 69.412 80.861 1 8.24 ? CA SER 340 A 1 +ATOM 2573 C C SER 340 . . A 1 10.176 70.702 80.211 1 9.54 ? C SER 340 A 1 +ATOM 2574 O O SER 340 . . A 1 11.351 71.018 80.104 1 12.25 ? O SER 340 A 1 +ATOM 2575 C CB SER 340 . . A 1 9.52 69.474 82.37 1 13.24 ? CB SER 340 A 1 +ATOM 2576 O OG SER 340 . . A 1 10.769 69.483 83.055 1 20.34 ? OG SER 340 A 1 +ATOM 2577 N N LYS 341 . . A 1 9.165 71.447 79.776 1 8.55 ? N LYS 341 A 1 +ATOM 2578 C CA LYS 341 . . A 1 9.393 72.688 79.084 1 6.09 ? CA LYS 341 A 1 +ATOM 2579 C C LYS 341 . . A 1 10.149 73.771 79.809 1 10.8 ? C LYS 341 A 1 +ATOM 2580 O O LYS 341 . . A 1 10.918 74.49 79.193 1 16.03 ? O LYS 341 A 1 +ATOM 2581 C CB LYS 341 . . A 1 8.028 73.295 78.73 1 8.3 ? CB LYS 341 A 1 +ATOM 2582 C CG LYS 341 . . A 1 8.154 74.489 77.781 1 12.38 ? CG LYS 341 A 1 +ATOM 2583 C CD LYS 341 . . A 1 6.811 75.078 77.352 1 17.57 ? CD LYS 341 A 1 +ATOM 2584 C CE LYS 341 . . A 1 6.425 76.349 78.108 1 20.78 ? CE LYS 341 A 1 +ATOM 2585 N NZ LYS 341 . . A 1 5.582 75.995 79.23 1 27.83 ? NZ LYS 341 A 1 +ATOM 2586 N N ASP 342 . . A 1 9.896 73.931 81.115 1 11.84 ? N ASP 342 A 1 +ATOM 2587 C CA ASP 342 . . A 1 10.561 75.064 81.769 1 10.44 ? CA ASP 342 A 1 +ATOM 2588 C C ASP 342 . . A 1 11.803 74.749 82.55 1 11.23 ? C ASP 342 A 1 +ATOM 2589 O O ASP 342 . . A 1 12.316 75.581 83.279 1 11.16 ? O ASP 342 A 1 +ATOM 2590 C CB ASP 342 . . A 1 9.553 75.748 82.683 1 13.39 ? CB ASP 342 A 1 +ATOM 2591 C CG ASP 342 . . A 1 8.298 76.132 81.915 1 18.79 ? CG ASP 342 A 1 +ATOM 2592 O OD1 ASP 342 . . A 1 8.437 76.553 80.772 1 19.02 ? OD1 ASP 342 A 1 +ATOM 2593 O OD2 ASP 342 . . A 1 7.189 76.011 82.446 1 26.74 ? OD2 ASP 342 A 1 +ATOM 2594 N N SER 343 . . A 1 12.27 73.537 82.398 1 12.35 ? N SER 343 A 1 +ATOM 2595 C CA SER 343 . . A 1 13.432 73.038 83.083 1 13.1 ? CA SER 343 A 1 +ATOM 2596 C C SER 343 . . A 1 14.442 72.8 81.979 1 14.58 ? C SER 343 A 1 +ATOM 2597 O O SER 343 . . A 1 14.082 72.847 80.821 1 22.87 ? O SER 343 A 1 +ATOM 2598 C CB SER 343 . . A 1 12.901 71.703 83.628 1 9.72 ? CB SER 343 A 1 +ATOM 2599 O OG SER 343 . . A 1 13.862 70.896 84.288 1 24.12 ? OG SER 343 A 1 +ATOM 2600 N N GLU 344 . . A 1 15.701 72.514 82.304 1 12.45 ? N GLU 344 A 1 +ATOM 2601 C CA GLU 344 . . A 1 16.664 72.234 81.208 1 12.6 ? CA GLU 344 A 1 +ATOM 2602 C C GLU 344 . . A 1 16.839 70.723 81.029 1 14.76 ? C GLU 344 A 1 +ATOM 2603 O O GLU 344 . . A 1 17.855 70.186 80.595 1 12.18 ? O GLU 344 A 1 +ATOM 2604 C CB GLU 344 . . A 1 18.042 72.927 81.38 1 16.85 ? CB GLU 344 A 1 +ATOM 2605 C CG GLU 344 . . A 1 18.786 72.592 82.679 1 22.04 ? CG GLU 344 A 1 +ATOM 2606 N N SER 345 . . A 1 15.812 70.055 81.504 1 14.52 ? N SER 345 A 1 +ATOM 2607 C CA SER 345 . . A 1 15.761 68.621 81.409 1 17.55 ? CA SER 345 A 1 +ATOM 2608 C C SER 345 . . A 1 17.032 67.777 81.415 1 20.59 ? C SER 345 A 1 +ATOM 2609 O O SER 345 . . A 1 17.349 67.167 80.404 1 21.82 ? O SER 345 A 1 +ATOM 2610 C CB SER 345 . . A 1 14.978 68.355 80.137 1 16.43 ? CB SER 345 A 1 +ATOM 2611 O OG SER 345 . . A 1 13.731 69.049 80.314 1 18.13 ? OG SER 345 A 1 +ATOM 2612 N N LYS 346 . . A 1 17.716 67.723 82.579 1 21.86 ? N LYS 346 A 1 +ATOM 2613 C CA LYS 346 . . A 1 18.91 66.879 82.705 1 23.77 ? CA LYS 346 A 1 +ATOM 2614 C C LYS 346 . . A 1 18.369 65.497 83.043 1 25 ? C LYS 346 A 1 +ATOM 2615 O O LYS 346 . . A 1 17.66 65.332 84.033 1 29.16 ? O LYS 346 A 1 +ATOM 2616 C CB LYS 346 . . A 1 19.81 67.439 83.801 1 24.4 ? CB LYS 346 A 1 +ATOM 2617 C CG LYS 346 . . A 1 20.523 68.699 83.294 1 33.23 ? CG LYS 346 A 1 +ATOM 2618 C CD LYS 346 . . A 1 21.118 69.581 84.404 1 39.97 ? CD LYS 346 A 1 +ATOM 2619 C CE LYS 346 . . A 1 22.034 70.688 83.836 1 45.95 ? CE LYS 346 A 1 +ATOM 2620 N NZ LYS 346 . . A 1 21.742 71.993 84.41 1 51.42 ? NZ LYS 346 A 1 +ATOM 2621 N N ILE 347 . . A 1 18.678 64.494 82.229 1 25.23 ? N ILE 347 A 1 +ATOM 2622 C CA ILE 347 . . A 1 18.097 63.181 82.513 1 24.86 ? CA ILE 347 A 1 +ATOM 2623 C C ILE 347 . . A 1 19.087 62.314 83.248 1 24.84 ? C ILE 347 A 1 +ATOM 2624 O O ILE 347 . . A 1 20.276 62.293 82.982 1 25.36 ? O ILE 347 A 1 +ATOM 2625 C CB ILE 347 . . A 1 17.521 62.564 81.206 1 20.35 ? CB ILE 347 A 1 +ATOM 2626 C CG1 ILE 347 . . A 1 16.094 63.087 80.926 1 19.69 ? CG1 ILE 347 A 1 +ATOM 2627 C CG2 ILE 347 . . A 1 17.475 61.029 81.185 1 18.16 ? CG2 ILE 347 A 1 +ATOM 2628 C CD1 ILE 347 . . A 1 15.975 64.597 80.697 1 12.3 ? CD1 ILE 347 A 1 +ATOM 2629 N N SER 348 . . A 1 18.517 61.576 84.19 1 22.6 ? N SER 348 A 1 +ATOM 2630 C CA SER 348 . . A 1 19.28 60.669 85.023 1 22.96 ? CA SER 348 A 1 +ATOM 2631 C C SER 348 . . A 1 19.473 59.374 84.291 1 25.12 ? C SER 348 A 1 +ATOM 2632 O O SER 348 . . A 1 18.705 59.101 83.376 1 29.86 ? O SER 348 A 1 +ATOM 2633 C CB SER 348 . . A 1 18.412 60.381 86.27 1 22.94 ? CB SER 348 A 1 +ATOM 2634 O OG SER 348 . . A 1 17.043 60.109 85.921 1 21.81 ? OG SER 348 A 1 +ATOM 2635 N N ARG 349 . . A 1 20.421 58.52 84.727 1 26.78 ? N ARG 349 A 1 +ATOM 2636 C CA ARG 349 . . A 1 20.509 57.267 83.982 1 26.44 ? CA ARG 349 A 1 +ATOM 2637 C C ARG 349 . . A 1 19.252 56.469 84.092 1 23.3 ? C ARG 349 A 1 +ATOM 2638 O O ARG 349 . . A 1 18.958 55.655 83.241 1 23.92 ? O ARG 349 A 1 +ATOM 2639 C CB ARG 349 . . A 1 21.692 56.337 84.303 1 28.34 ? CB ARG 349 A 1 +ATOM 2640 C CG ARG 349 . . A 1 23.027 56.81 83.672 1 39.36 ? CG ARG 349 A 1 +ATOM 2641 C CD ARG 349 . . A 1 23.038 57.123 82.138 1 42.13 ? CD ARG 349 A 1 +ATOM 2642 N NE ARG 349 . . A 1 23.855 56.244 81.299 1 42.13 ? NE ARG 349 A 1 +ATOM 2643 C CZ ARG 349 . . A 1 23.557 54.954 81.069 1 43.18 ? CZ ARG 349 A 1 +ATOM 2644 N NH1 ARG 349 . . A 1 22.555 54.338 81.691 1 44.85 ? NH1 ARG 349 A 1 +ATOM 2645 N NH2 ARG 349 . . A 1 24.288 54.268 80.201 1 43.64 ? NH2 ARG 349 A 1 +ATOM 2646 N N GLU 350 . . A 1 18.488 56.699 85.144 1 26.9 ? N GLU 350 A 1 +ATOM 2647 C CA GLU 350 . . A 1 17.263 55.911 85.222 1 31.45 ? CA GLU 350 A 1 +ATOM 2648 C C GLU 350 . . A 1 16.301 56.334 84.127 1 30.75 ? C GLU 350 A 1 +ATOM 2649 O O GLU 350 . . A 1 15.825 55.539 83.332 1 33.01 ? O GLU 350 A 1 +ATOM 2650 C CB GLU 350 . . A 1 16.599 55.97 86.622 1 35.7 ? CB GLU 350 A 1 +ATOM 2651 C CG GLU 350 . . A 1 15.595 54.81 86.857 1 42.44 ? CG GLU 350 A 1 +ATOM 2652 N N ASP 351 . . A 1 16.039 57.637 84.077 1 29.4 ? N ASP 351 A 1 +ATOM 2653 C CA ASP 351 . . A 1 15.114 58.079 83.044 1 28.05 ? CA ASP 351 A 1 +ATOM 2654 C C ASP 351 . . A 1 15.675 57.927 81.642 1 27.22 ? C ASP 351 A 1 +ATOM 2655 O O ASP 351 . . A 1 14.95 57.87 80.655 1 30.6 ? O ASP 351 A 1 +ATOM 2656 C CB ASP 351 . . A 1 14.65 59.51 83.302 1 28.99 ? CB ASP 351 A 1 +ATOM 2657 C CG ASP 351 . . A 1 13.711 59.62 84.492 1 28.45 ? CG ASP 351 A 1 +ATOM 2658 O OD1 ASP 351 . . A 1 12.964 58.665 84.744 1 26.02 ? OD1 ASP 351 A 1 +ATOM 2659 O OD2 ASP 351 . . A 1 13.732 60.665 85.149 1 27.93 ? OD2 ASP 351 A 1 +ATOM 2660 N N PHE 352 . . A 1 17.001 57.87 81.56 1 24.01 ? N PHE 352 A 1 +ATOM 2661 C CA PHE 352 . . A 1 17.655 57.687 80.279 1 19.62 ? CA PHE 352 A 1 +ATOM 2662 C C PHE 352 . . A 1 17.26 56.333 79.769 1 19.15 ? C PHE 352 A 1 +ATOM 2663 O O PHE 352 . . A 1 16.744 56.171 78.675 1 25.45 ? O PHE 352 A 1 +ATOM 2664 C CB PHE 352 . . A 1 19.18 57.737 80.436 1 18.2 ? CB PHE 352 A 1 +ATOM 2665 C CG PHE 352 . . A 1 19.923 57.384 79.172 1 18.83 ? CG PHE 352 A 1 +ATOM 2666 C CD1 PHE 352 . . A 1 20.242 58.377 78.231 1 21.32 ? CD1 PHE 352 A 1 +ATOM 2667 C CD2 PHE 352 . . A 1 20.326 56.058 78.941 1 15.96 ? CD2 PHE 352 A 1 +ATOM 2668 C CE1 PHE 352 . . A 1 20.986 58.048 77.086 1 21.96 ? CE1 PHE 352 A 1 +ATOM 2669 C CE2 PHE 352 . . A 1 21.057 55.728 77.794 1 14.3 ? CE2 PHE 352 A 1 +ATOM 2670 C CZ PHE 352 . . A 1 21.399 56.724 76.869 1 18.25 ? CZ PHE 352 A 1 +ATOM 2671 N N MET 353 . . A 1 17.487 55.335 80.612 1 17.09 ? N MET 353 A 1 +ATOM 2672 C CA MET 353 . . A 1 17.134 53.996 80.193 1 18.52 ? CA MET 353 A 1 +ATOM 2673 C C MET 353 . . A 1 15.644 53.84 79.978 1 20.49 ? C MET 353 A 1 +ATOM 2674 O O MET 353 . . A 1 15.198 53.013 79.189 1 19.81 ? O MET 353 A 1 +ATOM 2675 C CB MET 353 . . A 1 17.754 52.953 81.11 1 19.65 ? CB MET 353 A 1 +ATOM 2676 C CG MET 353 . . A 1 19.295 53.119 81.05 1 18.12 ? CG MET 353 A 1 +ATOM 2677 N N SER 354 . . A 1 14.859 54.645 80.703 1 22.71 ? N SER 354 A 1 +ATOM 2678 C CA SER 354 . . A 1 13.424 54.538 80.475 1 25.84 ? CA SER 354 A 1 +ATOM 2679 C C SER 354 . . A 1 13.094 55.109 79.09 1 25.87 ? C SER 354 A 1 +ATOM 2680 O O SER 354 . . A 1 12.221 54.666 78.352 1 28.42 ? O SER 354 A 1 +ATOM 2681 C CB SER 354 . . A 1 12.633 55.339 81.526 1 27.61 ? CB SER 354 A 1 +ATOM 2682 O OG SER 354 . . A 1 13.05 55.077 82.868 1 35.58 ? OG SER 354 A 1 +ATOM 2683 N N GLY 355 . . A 1 13.847 56.145 78.754 1 23.04 ? N GLY 355 A 1 +ATOM 2684 C CA GLY 355 . . A 1 13.632 56.789 77.491 1 20.76 ? CA GLY 355 A 1 +ATOM 2685 C C GLY 355 . . A 1 13.913 55.887 76.33 1 20.74 ? C GLY 355 A 1 +ATOM 2686 O O GLY 355 . . A 1 13.065 55.716 75.465 1 20.96 ? O GLY 355 A 1 +ATOM 2687 N N VAL 356 . . A 1 15.118 55.281 76.33 1 16.58 ? N VAL 356 A 1 +ATOM 2688 C CA VAL 356 . . A 1 15.436 54.406 75.221 1 12.8 ? CA VAL 356 A 1 +ATOM 2689 C C VAL 356 . . A 1 14.445 53.285 75.072 1 12.89 ? C VAL 356 A 1 +ATOM 2690 O O VAL 356 . . A 1 14.189 52.86 73.962 1 20.26 ? O VAL 356 A 1 +ATOM 2691 C CB VAL 356 . . A 1 16.919 53.999 75.178 1 15.13 ? CB VAL 356 A 1 +ATOM 2692 C CG1 VAL 356 . . A 1 17.576 53.882 76.541 1 11.98 ? CG1 VAL 356 A 1 +ATOM 2693 C CG2 VAL 356 . . A 1 17.22 52.742 74.32 1 16.47 ? CG2 VAL 356 A 1 +ATOM 2694 N N LYS 357 . . A 1 13.868 52.798 76.158 1 17.12 ? N LYS 357 A 1 +ATOM 2695 C CA LYS 357 . . A 1 12.876 51.743 75.975 1 18.3 ? CA LYS 357 A 1 +ATOM 2696 C C LYS 357 . . A 1 11.719 52.291 75.167 1 16.64 ? C LYS 357 A 1 +ATOM 2697 O O LYS 357 . . A 1 11.169 51.615 74.316 1 20.77 ? O LYS 357 A 1 +ATOM 2698 C CB LYS 357 . . A 1 12.315 51.214 77.311 1 23.65 ? CB LYS 357 A 1 +ATOM 2699 C CG LYS 357 . . A 1 13.34 50.427 78.147 1 34.69 ? CG LYS 357 A 1 +ATOM 2700 C CD LYS 357 . . A 1 12.893 49.065 78.757 1 48.38 ? CD LYS 357 A 1 +ATOM 2701 C CE LYS 357 . . A 1 11.495 48.5 78.39 1 53.77 ? CE LYS 357 A 1 +ATOM 2702 N NZ LYS 357 . . A 1 11.366 48.161 76.97 1 58.39 ? NZ LYS 357 A 1 +ATOM 2703 N N LEU 358 . . A 1 11.354 53.539 75.448 1 16.56 ? N LEU 358 A 1 +ATOM 2704 C CA LEU 358 . . A 1 10.239 54.119 74.705 1 16.67 ? CA LEU 358 A 1 +ATOM 2705 C C LEU 358 . . A 1 10.595 54.389 73.255 1 19.85 ? C LEU 358 A 1 +ATOM 2706 O O LEU 358 . . A 1 9.729 54.354 72.389 1 26.58 ? O LEU 358 A 1 +ATOM 2707 C CB LEU 358 . . A 1 9.796 55.471 75.298 1 7.56 ? CB LEU 358 A 1 +ATOM 2708 C CG LEU 358 . . A 1 9.274 55.385 76.723 1 2 ? CG LEU 358 A 1 +ATOM 2709 C CD1 LEU 358 . . A 1 9.116 56.78 77.314 1 2 ? CD1 LEU 358 A 1 +ATOM 2710 C CD2 LEU 358 . . A 1 7.937 54.652 76.758 1 2 ? CD2 LEU 358 A 1 +ATOM 2711 N N SER 359 . . A 1 11.862 54.715 73.003 1 17.69 ? N SER 359 A 1 +ATOM 2712 C CA SER 359 . . A 1 12.256 54.998 71.638 1 15.36 ? CA SER 359 A 1 +ATOM 2713 C C SER 359 . . A 1 12.405 53.77 70.792 1 16.54 ? C SER 359 A 1 +ATOM 2714 O O SER 359 . . A 1 12.192 53.833 69.594 1 22.9 ? O SER 359 A 1 +ATOM 2715 C CB SER 359 . . A 1 13.594 55.739 71.579 1 13.6 ? CB SER 359 A 1 +ATOM 2716 O OG SER 359 . . A 1 13.573 56.801 72.535 1 20.22 ? OG SER 359 A 1 +ATOM 2717 N N VAL 360 . . A 1 12.759 52.645 71.391 1 11.65 ? N VAL 360 A 1 +ATOM 2718 C CA VAL 360 . . A 1 12.944 51.481 70.561 1 9.46 ? CA VAL 360 A 1 +ATOM 2719 C C VAL 360 . . A 1 11.964 50.393 70.96 1 12.11 ? C VAL 360 A 1 +ATOM 2720 O O VAL 360 . . A 1 12.368 49.333 71.408 1 16.36 ? O VAL 360 A 1 +ATOM 2721 C CB VAL 360 . . A 1 14.434 51.063 70.661 1 9.14 ? CB VAL 360 A 1 +ATOM 2722 C CG1 VAL 360 . . A 1 14.841 50.178 69.466 1 10.89 ? CG1 VAL 360 A 1 +ATOM 2723 C CG2 VAL 360 . . A 1 15.367 52.292 70.691 1 10.29 ? CG2 VAL 360 A 1 +ATOM 2724 N N PRO 361 . . A 1 10.655 50.62 70.779 1 15.18 ? N PRO 361 A 1 +ATOM 2725 C CA PRO 361 . . A 1 9.654 49.694 71.335 1 15.98 ? CA PRO 361 A 1 +ATOM 2726 C C PRO 361 . . A 1 9.757 48.242 70.921 1 19.48 ? C PRO 361 A 1 +ATOM 2727 O O PRO 361 . . A 1 9.177 47.348 71.504 1 23.85 ? O PRO 361 A 1 +ATOM 2728 C CB PRO 361 . . A 1 8.306 50.273 70.88 1 11.55 ? CB PRO 361 A 1 +ATOM 2729 C CG PRO 361 . . A 1 8.642 51.317 69.81 1 12.75 ? CG PRO 361 A 1 +ATOM 2730 C CD PRO 361 . . A 1 10.084 51.755 70.062 1 14.4 ? CD PRO 361 A 1 +ATOM 2731 N N HIS 362 . . A 1 10.477 48.02 69.845 1 25.44 ? N HIS 362 A 1 +ATOM 2732 C CA HIS 362 . . A 1 10.623 46.67 69.321 1 29.48 ? CA HIS 362 A 1 +ATOM 2733 C C HIS 362 . . A 1 11.939 46.025 69.693 1 30.3 ? C HIS 362 A 1 +ATOM 2734 O O HIS 362 . . A 1 12.196 44.881 69.334 1 34.95 ? O HIS 362 A 1 +ATOM 2735 C CB HIS 362 . . A 1 10.507 46.696 67.769 1 35.06 ? CB HIS 362 A 1 +ATOM 2736 C CG HIS 362 . . A 1 11.27 47.87 67.165 1 36.68 ? CG HIS 362 A 1 +ATOM 2737 N ND1 HIS 362 . . A 1 10.727 49.092 66.938 1 35.63 ? ND1 HIS 362 A 1 +ATOM 2738 C CD2 HIS 362 . . A 1 12.633 47.919 66.802 1 35.92 ? CD2 HIS 362 A 1 +ATOM 2739 C CE1 HIS 362 . . A 1 11.71 49.868 66.466 1 36.94 ? CE1 HIS 362 A 1 +ATOM 2740 N NE2 HIS 362 . . A 1 12.865 49.175 66.382 1 39.26 ? NE2 HIS 362 A 1 +ATOM 2741 N N ALA 363 . . A 1 12.812 46.774 70.361 1 25.05 ? N ALA 363 A 1 +ATOM 2742 C CA ALA 363 . . A 1 14.062 46.133 70.675 1 24.3 ? CA ALA 363 A 1 +ATOM 2743 C C ALA 363 . . A 1 13.848 45.186 71.823 1 26.94 ? C ALA 363 A 1 +ATOM 2744 O O ALA 363 . . A 1 12.951 45.319 72.646 1 27.66 ? O ALA 363 A 1 +ATOM 2745 C CB ALA 363 . . A 1 15.134 47.133 71.121 1 24.12 ? CB ALA 363 A 1 +ATOM 2746 N N ASN 364 . . A 1 14.749 44.213 71.849 1 25.62 ? N ASN 364 A 1 +ATOM 2747 C CA ASN 364 . . A 1 14.758 43.232 72.908 1 22.62 ? CA ASN 364 A 1 +ATOM 2748 C C ASN 364 . . A 1 15.867 43.752 73.798 1 24.4 ? C ASN 364 A 1 +ATOM 2749 O O ASN 364 . . A 1 16.571 44.705 73.484 1 24.24 ? O ASN 364 A 1 +ATOM 2750 C CB ASN 364 . . A 1 15.012 41.792 72.399 1 23.27 ? CB ASN 364 A 1 +ATOM 2751 C CG ASN 364 . . A 1 16.304 41.675 71.63 1 23.08 ? CG ASN 364 A 1 +ATOM 2752 O OD1 ASN 364 . . A 1 17.141 42.556 71.718 1 28.93 ? OD1 ASN 364 A 1 +ATOM 2753 N ND2 ASN 364 . . A 1 16.476 40.606 70.87 1 23.88 ? ND2 ASN 364 A 1 +ATOM 2754 N N ASP 365 . . A 1 16.056 43.061 74.917 1 27.48 ? N ASP 365 A 1 +ATOM 2755 C CA ASP 365 . . A 1 17.081 43.472 75.882 1 25.27 ? CA ASP 365 A 1 +ATOM 2756 C C ASP 365 . . A 1 18.43 43.73 75.275 1 25.82 ? C ASP 365 A 1 +ATOM 2757 O O ASP 365 . . A 1 19.141 44.68 75.568 1 28.02 ? O ASP 365 A 1 +ATOM 2758 C CB ASP 365 . . A 1 17.372 42.372 76.914 1 26.63 ? CB ASP 365 A 1 +ATOM 2759 N N LEU 366 . . A 1 18.782 42.827 74.38 1 23.27 ? N LEU 366 A 1 +ATOM 2760 C CA LEU 366 . . A 1 20.075 42.962 73.762 1 21.37 ? CA LEU 366 A 1 +ATOM 2761 C C LEU 366 . . A 1 20.147 44.191 72.883 1 21.66 ? C LEU 366 A 1 +ATOM 2762 O O LEU 366 . . A 1 21.144 44.898 72.806 1 22.93 ? O LEU 366 A 1 +ATOM 2763 C CB LEU 366 . . A 1 20.344 41.69 72.966 1 22.53 ? CB LEU 366 A 1 +ATOM 2764 C CG LEU 366 . . A 1 21.729 41.107 73.176 1 21.41 ? CG LEU 366 A 1 +ATOM 2765 C CD1 LEU 366 . . A 1 21.853 39.905 72.247 1 26.47 ? CD1 LEU 366 A 1 +ATOM 2766 C CD2 LEU 366 . . A 1 22.85 42.138 72.963 1 22.36 ? CD2 LEU 366 A 1 +ATOM 2767 N N GLY 367 . . A 1 19.025 44.444 72.229 1 18.78 ? N GLY 367 A 1 +ATOM 2768 C CA GLY 367 . . A 1 18.936 45.581 71.345 1 20.09 ? CA GLY 367 A 1 +ATOM 2769 C C GLY 367 . . A 1 19.094 46.861 72.104 1 19.16 ? C GLY 367 A 1 +ATOM 2770 O O GLY 367 . . A 1 19.884 47.713 71.725 1 17.49 ? O GLY 367 A 1 +ATOM 2771 N N LEU 368 . . A 1 18.342 46.96 73.218 1 19.69 ? N LEU 368 A 1 +ATOM 2772 C CA LEU 368 . . A 1 18.41 48.152 74.058 1 18.37 ? CA LEU 368 A 1 +ATOM 2773 C C LEU 368 . . A 1 19.844 48.33 74.525 1 18.27 ? C LEU 368 A 1 +ATOM 2774 O O LEU 368 . . A 1 20.426 49.409 74.485 1 15.58 ? O LEU 368 A 1 +ATOM 2775 C CB LEU 368 . . A 1 17.438 48.068 75.248 1 21.93 ? CB LEU 368 A 1 +ATOM 2776 C CG LEU 368 . . A 1 15.933 48.026 74.877 1 25.14 ? CG LEU 368 A 1 +ATOM 2777 C CD1 LEU 368 . . A 1 15.07 47.567 76.053 1 22.66 ? CD1 LEU 368 A 1 +ATOM 2778 C CD2 LEU 368 . . A 1 15.401 49.388 74.386 1 26.92 ? CD2 LEU 368 A 1 +ATOM 2779 N N ASP 369 . . A 1 20.428 47.189 74.923 1 18.38 ? N ASP 369 A 1 +ATOM 2780 C CA ASP 369 . . A 1 21.827 47.226 75.362 1 19.79 ? CA ASP 369 A 1 +ATOM 2781 C C ASP 369 . . A 1 22.745 47.793 74.289 1 19.98 ? C ASP 369 A 1 +ATOM 2782 O O ASP 369 . . A 1 23.653 48.575 74.568 1 20.06 ? O ASP 369 A 1 +ATOM 2783 C CB ASP 369 . . A 1 22.362 45.826 75.703 1 20.42 ? CB ASP 369 A 1 +ATOM 2784 C CG ASP 369 . . A 1 22.133 45.388 77.141 1 25.81 ? CG ASP 369 A 1 +ATOM 2785 O OD1 ASP 369 . . A 1 21.345 46.014 77.858 1 28.18 ? OD1 ASP 369 A 1 +ATOM 2786 O OD2 ASP 369 . . A 1 22.771 44.415 77.545 1 28.77 ? OD2 ASP 369 A 1 +ATOM 2787 N N ALA 370 . . A 1 22.475 47.355 73.042 1 19.57 ? N ALA 370 A 1 +ATOM 2788 C CA ALA 370 . . A 1 23.252 47.794 71.903 1 12.88 ? CA ALA 370 A 1 +ATOM 2789 C C ALA 370 . . A 1 23.109 49.283 71.682 1 13.98 ? C ALA 370 A 1 +ATOM 2790 O O ALA 370 . . A 1 24.088 49.947 71.36 1 17.14 ? O ALA 370 A 1 +ATOM 2791 C CB ALA 370 . . A 1 22.849 47.031 70.655 1 10.17 ? CB ALA 370 A 1 +ATOM 2792 N N VAL 371 . . A 1 21.89 49.808 71.859 1 13.39 ? N VAL 371 A 1 +ATOM 2793 C CA VAL 371 . . A 1 21.688 51.248 71.663 1 13.99 ? CA VAL 371 A 1 +ATOM 2794 C C VAL 371 . . A 1 22.48 52.053 72.704 1 14.95 ? C VAL 371 A 1 +ATOM 2795 O O VAL 371 . . A 1 23.202 52.998 72.393 1 18.4 ? O VAL 371 A 1 +ATOM 2796 C CB VAL 371 . . A 1 20.179 51.599 71.742 1 13.56 ? CB VAL 371 A 1 +ATOM 2797 C CG1 VAL 371 . . A 1 19.924 53.103 71.535 1 9.32 ? CG1 VAL 371 A 1 +ATOM 2798 C CG2 VAL 371 . . A 1 19.33 50.764 70.762 1 6.6 ? CG2 VAL 371 A 1 +ATOM 2799 N N THR 372 . . A 1 22.316 51.663 73.967 1 14.34 ? N THR 372 A 1 +ATOM 2800 C CA THR 372 . . A 1 23.003 52.331 75.058 1 13.68 ? CA THR 372 A 1 +ATOM 2801 C C THR 372 . . A 1 24.507 52.355 74.841 1 12.35 ? C THR 372 A 1 +ATOM 2802 O O THR 372 . . A 1 25.194 53.339 75.056 1 9.76 ? O THR 372 A 1 +ATOM 2803 C CB THR 372 . . A 1 22.682 51.541 76.319 1 18.11 ? CB THR 372 A 1 +ATOM 2804 O OG1 THR 372 . . A 1 21.272 51.359 76.415 1 21.72 ? OG1 THR 372 A 1 +ATOM 2805 C CG2 THR 372 . . A 1 23.187 52.181 77.614 1 26.75 ? CG2 THR 372 A 1 +ATOM 2806 N N LEU 373 . . A 1 25.014 51.219 74.372 1 12.03 ? N LEU 373 A 1 +ATOM 2807 C CA LEU 373 . . A 1 26.438 51.164 74.118 1 12.19 ? CA LEU 373 A 1 +ATOM 2808 C C LEU 373 . . A 1 26.899 52.318 73.242 1 15.5 ? C LEU 373 A 1 +ATOM 2809 O O LEU 373 . . A 1 27.837 53.027 73.567 1 15.29 ? O LEU 373 A 1 +ATOM 2810 C CB LEU 373 . . A 1 26.804 49.835 73.429 1 9.08 ? CB LEU 373 A 1 +ATOM 2811 C CG LEU 373 . . A 1 28.225 49.33 73.745 1 11.38 ? CG LEU 373 A 1 +ATOM 2812 C CD1 LEU 373 . . A 1 28.554 48.051 72.978 1 14.39 ? CD1 LEU 373 A 1 +ATOM 2813 C CD2 LEU 373 . . A 1 29.337 50.35 73.488 1 17.82 ? CD2 LEU 373 A 1 +ATOM 2814 N N GLN 374 . . A 1 26.163 52.495 72.132 1 20.44 ? N GLN 374 A 1 +ATOM 2815 C CA GLN 374 . . A 1 26.528 53.529 71.166 1 21.57 ? CA GLN 374 A 1 +ATOM 2816 C C GLN 374 . . A 1 26.289 54.941 71.597 1 22.18 ? C GLN 374 A 1 +ATOM 2817 O O GLN 374 . . A 1 27.07 55.833 71.3 1 23 ? O GLN 374 A 1 +ATOM 2818 C CB GLN 374 . . A 1 25.739 53.401 69.848 1 24.24 ? CB GLN 374 A 1 +ATOM 2819 C CG GLN 374 . . A 1 25.628 51.987 69.285 1 33.24 ? CG GLN 374 A 1 +ATOM 2820 C CD GLN 374 . . A 1 26.957 51.458 68.79 1 39.05 ? CD GLN 374 A 1 +ATOM 2821 O OE1 GLN 374 . . A 1 27.753 52.173 68.192 1 42.09 ? OE1 GLN 374 A 1 +ATOM 2822 N NE2 GLN 374 . . A 1 27.159 50.156 69.011 1 39.02 ? NE2 GLN 374 A 1 +ATOM 2823 N N TYR 375 . . A 1 25.159 55.138 72.272 1 20.75 ? N TYR 375 A 1 +ATOM 2824 C CA TYR 375 . . A 1 24.832 56.505 72.658 1 22.88 ? CA TYR 375 A 1 +ATOM 2825 C C TYR 375 . . A 1 25.365 56.972 74.005 1 25.42 ? C TYR 375 A 1 +ATOM 2826 O O TYR 375 . . A 1 25.221 58.143 74.345 1 26.36 ? O TYR 375 A 1 +ATOM 2827 C CB TYR 375 . . A 1 23.308 56.706 72.501 1 22.55 ? CB TYR 375 A 1 +ATOM 2828 C CG TYR 375 . . A 1 22.939 56.796 71.029 1 24.01 ? CG TYR 375 A 1 +ATOM 2829 C CD1 TYR 375 . . A 1 22.995 58.053 70.382 1 21.13 ? CD1 TYR 375 A 1 +ATOM 2830 C CD2 TYR 375 . . A 1 22.608 55.639 70.277 1 20.1 ? CD2 TYR 375 A 1 +ATOM 2831 C CE1 TYR 375 . . A 1 22.734 58.162 69.013 1 16.38 ? CE1 TYR 375 A 1 +ATOM 2832 C CE2 TYR 375 . . A 1 22.344 55.752 68.898 1 13.81 ? CE2 TYR 375 A 1 +ATOM 2833 C CZ TYR 375 . . A 1 22.4 57.021 68.275 1 17.25 ? CZ TYR 375 A 1 +ATOM 2834 O OH TYR 375 . . A 1 22.11 57.194 66.939 1 18.33 ? OH TYR 375 A 1 +ATOM 2835 N N THR 376 . . A 1 25.972 56.094 74.795 1 27.14 ? N THR 376 A 1 +ATOM 2836 C CA THR 376 . . A 1 26.466 56.558 76.079 1 26.81 ? CA THR 376 A 1 +ATOM 2837 C C THR 376 . . A 1 27.95 56.896 76.026 1 30 ? C THR 376 A 1 +ATOM 2838 O O THR 376 . . A 1 28.788 56.256 75.401 1 32.19 ? O THR 376 A 1 +ATOM 2839 C CB THR 376 . . A 1 26.248 55.429 77.102 1 24.27 ? CB THR 376 A 1 +ATOM 2840 O OG1 THR 376 . . A 1 24.848 55.183 77.221 1 26.14 ? OG1 THR 376 A 1 +ATOM 2841 C CG2 THR 376 . . A 1 26.772 55.689 78.525 1 26.13 ? CG2 THR 376 A 1 +ATOM 2842 N N ASP 377 . . A 1 28.267 57.974 76.756 1 32.9 ? N ASP 377 A 1 +ATOM 2843 C CA ASP 377 . . A 1 29.663 58.373 76.884 1 33.12 ? CA ASP 377 A 1 +ATOM 2844 C C ASP 377 . . A 1 30.088 57.62 78.138 1 33.75 ? C ASP 377 A 1 +ATOM 2845 O O ASP 377 . . A 1 29.853 58.093 79.246 1 35.52 ? O ASP 377 A 1 +ATOM 2846 C CB ASP 377 . . A 1 29.821 59.888 77.099 1 29.45 ? CB ASP 377 A 1 +ATOM 2847 C CG ASP 377 . . A 1 31.259 60.278 77.411 1 32.39 ? CG ASP 377 A 1 +ATOM 2848 O OD1 ASP 377 . . A 1 32.052 59.407 77.779 1 31.09 ? OD1 ASP 377 A 1 +ATOM 2849 O OD2 ASP 377 . . A 1 31.587 61.456 77.284 1 36.13 ? OD2 ASP 377 A 1 +ATOM 2850 N N TRP 378 . . A 1 30.724 56.467 77.964 1 33.67 ? N TRP 378 A 1 +ATOM 2851 C CA TRP 378 . . A 1 31.115 55.677 79.118 1 32.74 ? CA TRP 378 A 1 +ATOM 2852 C C TRP 378 . . A 1 32.033 56.368 80.072 1 35.4 ? C TRP 378 A 1 +ATOM 2853 O O TRP 378 . . A 1 32.005 56.047 81.25 1 38.33 ? O TRP 378 A 1 +ATOM 2854 C CB TRP 378 . . A 1 31.63 54.292 78.729 1 34.03 ? CB TRP 378 A 1 +ATOM 2855 C CG TRP 378 . . A 1 30.471 53.588 78.076 1 34.63 ? CG TRP 378 A 1 +ATOM 2856 C CD1 TRP 378 . . A 1 30.183 53.518 76.694 1 35.42 ? CD1 TRP 378 A 1 +ATOM 2857 C CD2 TRP 378 . . A 1 29.417 52.973 78.756 1 33.28 ? CD2 TRP 378 A 1 +ATOM 2858 N NE1 TRP 378 . . A 1 29 52.899 76.494 1 35.74 ? NE1 TRP 378 A 1 +ATOM 2859 C CE2 TRP 378 . . A 1 28.471 52.533 77.709 1 34.52 ? CE2 TRP 378 A 1 +ATOM 2860 C CE3 TRP 378 . . A 1 29.112 52.79 80.102 1 32.54 ? CE3 TRP 378 A 1 +ATOM 2861 C CZ2 TRP 378 . . A 1 27.263 51.928 78.09 1 33.96 ? CZ2 TRP 378 A 1 +ATOM 2862 C CZ3 TRP 378 . . A 1 27.891 52.181 80.439 1 37.5 ? CZ3 TRP 378 A 1 +ATOM 2863 C CH2 TRP 378 . . A 1 26.978 51.757 79.451 1 33.89 ? CH2 TRP 378 A 1 +ATOM 2864 N N MET 379 . . A 1 32.825 57.343 79.609 1 35.43 ? N MET 379 A 1 +ATOM 2865 C CA MET 379 . . A 1 33.697 58.015 80.583 1 38.11 ? CA MET 379 A 1 +ATOM 2866 C C MET 379 . . A 1 33.006 59.171 81.323 1 37.63 ? C MET 379 A 1 +ATOM 2867 O O MET 379 . . A 1 33.621 60.03 81.937 1 37.01 ? O MET 379 A 1 +ATOM 2868 C CB MET 379 . . A 1 34.997 58.503 79.946 1 39.47 ? CB MET 379 A 1 +ATOM 2869 C CG MET 379 . . A 1 36.089 58.677 81.013 1 48.58 ? CG MET 379 A 1 +ATOM 2870 S SD MET 379 . . A 1 37.63 59.176 80.217 1 60.48 ? SD MET 379 A 1 +ATOM 2871 C CE MET 379 . . A 1 38.186 57.574 79.529 1 60.32 ? CE MET 379 A 1 +ATOM 2872 N N ASP 380 . . A 1 31.684 59.21 81.242 1 37.26 ? N ASP 380 A 1 +ATOM 2873 C CA ASP 380 . . A 1 30.95 60.276 81.901 1 35.2 ? CA ASP 380 A 1 +ATOM 2874 C C ASP 380 . . A 1 29.496 59.852 82.031 1 36.78 ? C ASP 380 A 1 +ATOM 2875 O O ASP 380 . . A 1 28.558 60.633 82.001 1 36.31 ? O ASP 380 A 1 +ATOM 2876 C CB ASP 380 . . A 1 31.085 61.573 81.08 1 37.41 ? CB ASP 380 A 1 +ATOM 2877 C CG ASP 380 . . A 1 30.946 62.833 81.916 1 42.24 ? CG ASP 380 A 1 +ATOM 2878 O OD1 ASP 380 . . A 1 30.115 62.841 82.818 1 44.95 ? OD1 ASP 380 A 1 +ATOM 2879 O OD2 ASP 380 . . A 1 31.68 63.796 81.681 1 46.59 ? OD2 ASP 380 A 1 +ATOM 2880 N N ASP 381 . . A 1 29.362 58.537 82.159 1 39.63 ? N ASP 381 A 1 +ATOM 2881 C CA ASP 381 . . A 1 28.137 57.774 82.303 1 41.26 ? CA ASP 381 A 1 +ATOM 2882 C C ASP 381 . . A 1 26.898 58.498 82.853 1 40.3 ? C ASP 381 A 1 +ATOM 2883 O O ASP 381 . . A 1 25.862 58.482 82.204 1 41.14 ? O ASP 381 A 1 +ATOM 2884 C CB ASP 381 . . A 1 28.52 56.477 83.058 1 44.63 ? CB ASP 381 A 1 +ATOM 2885 C CG ASP 381 . . A 1 27.429 55.697 83.761 1 53.35 ? CG ASP 381 A 1 +ATOM 2886 O OD1 ASP 381 . . A 1 26.283 55.738 83.316 1 56.74 ? OD1 ASP 381 A 1 +ATOM 2887 O OD2 ASP 381 . . A 1 27.743 55.043 84.76 1 59.44 ? OD2 ASP 381 A 1 +ATOM 2888 N N ASN 382 . . A 1 27.006 59.118 84.031 1 42.03 ? N ASN 382 A 1 +ATOM 2889 C CA ASN 382 . . A 1 25.865 59.779 84.67 1 41.65 ? CA ASN 382 A 1 +ATOM 2890 C C ASN 382 . . A 1 25.642 61.248 84.35 1 42 ? C ASN 382 A 1 +ATOM 2891 O O ASN 382 . . A 1 24.947 61.916 85.107 1 45.11 ? O ASN 382 A 1 +ATOM 2892 C CB ASN 382 . . A 1 26.124 59.744 86.202 1 39.34 ? CB ASN 382 A 1 +ATOM 2893 N N ASN 383 . . A 1 26.225 61.785 83.267 1 41.46 ? N ASN 383 A 1 +ATOM 2894 C CA ASN 383 . . A 1 26.01 63.225 83.006 1 35.71 ? CA ASN 383 A 1 +ATOM 2895 C C ASN 383 . . A 1 24.62 63.545 82.472 1 33.59 ? C ASN 383 A 1 +ATOM 2896 O O ASN 383 . . A 1 24.279 63.254 81.336 1 38.41 ? O ASN 383 A 1 +ATOM 2897 C CB ASN 383 . . A 1 27.083 63.795 82.076 1 31.38 ? CB ASN 383 A 1 +ATOM 2898 C CG ASN 383 . . A 1 26.928 65.278 81.831 1 32.86 ? CG ASN 383 A 1 +ATOM 2899 O OD1 ASN 383 . . A 1 25.842 65.826 81.848 1 35.62 ? OD1 ASN 383 A 1 +ATOM 2900 N ND2 ASN 383 . . A 1 28.04 65.962 81.597 1 33.67 ? ND2 ASN 383 A 1 +ATOM 2901 N N GLY 384 . . A 1 23.85 64.252 83.289 1 30.8 ? N GLY 384 A 1 +ATOM 2902 C CA GLY 384 . . A 1 22.496 64.597 82.893 1 27.25 ? CA GLY 384 A 1 +ATOM 2903 C C GLY 384 . . A 1 22.328 65.341 81.593 1 22.82 ? C GLY 384 A 1 +ATOM 2904 O O GLY 384 . . A 1 21.356 65.15 80.884 1 24.91 ? O GLY 384 A 1 +ATOM 2905 N N ILE 385 . . A 1 23.257 66.223 81.275 1 19.5 ? N ILE 385 A 1 +ATOM 2906 C CA ILE 385 . . A 1 23.151 66.941 80.018 1 21.44 ? CA ILE 385 A 1 +ATOM 2907 C C ILE 385 . . A 1 23.415 65.938 78.883 1 21.19 ? C ILE 385 A 1 +ATOM 2908 O O ILE 385 . . A 1 22.682 65.776 77.911 1 22.17 ? O ILE 385 A 1 +ATOM 2909 C CB ILE 385 . . A 1 24.161 68.106 80.037 1 22.64 ? CB ILE 385 A 1 +ATOM 2910 C CG1 ILE 385 . . A 1 23.678 69.272 80.907 1 25.55 ? CG1 ILE 385 A 1 +ATOM 2911 C CG2 ILE 385 . . A 1 24.55 68.612 78.65 1 26.15 ? CG2 ILE 385 A 1 +ATOM 2912 C CD1 ILE 385 . . A 1 22.582 70.084 80.198 1 31.32 ? CD1 ILE 385 A 1 +ATOM 2913 N N LYS 386 . . A 1 24.507 65.208 79.051 1 19.41 ? N LYS 386 A 1 +ATOM 2914 C CA LYS 386 . . A 1 24.846 64.229 78.03 1 16.41 ? CA LYS 386 A 1 +ATOM 2915 C C LYS 386 . . A 1 23.746 63.214 77.802 1 15.5 ? C LYS 386 A 1 +ATOM 2916 O O LYS 386 . . A 1 23.52 62.748 76.696 1 19.02 ? O LYS 386 A 1 +ATOM 2917 C CB LYS 386 . . A 1 26.163 63.511 78.355 1 15.67 ? CB LYS 386 A 1 +ATOM 2918 C CG LYS 386 . . A 1 27.363 64.47 78.269 1 13.97 ? CG LYS 386 A 1 +ATOM 2919 C CD LYS 386 . . A 1 28.705 63.748 78.404 1 22.76 ? CD LYS 386 A 1 +ATOM 2920 C CE LYS 386 . . A 1 29.899 64.709 78.258 1 29.85 ? CE LYS 386 A 1 +ATOM 2921 N NZ LYS 386 . . A 1 31.167 63.988 78.174 1 32.24 ? NZ LYS 386 A 1 +ATOM 2922 N N ASN 387 . . A 1 23.045 62.872 78.863 1 14.39 ? N ASN 387 A 1 +ATOM 2923 C CA ASN 387 . . A 1 21.969 61.905 78.713 1 15.86 ? CA ASN 387 A 1 +ATOM 2924 C C ASN 387 . . A 1 20.782 62.521 78.022 1 15.13 ? C ASN 387 A 1 +ATOM 2925 O O ASN 387 . . A 1 20.085 61.866 77.261 1 17.02 ? O ASN 387 A 1 +ATOM 2926 C CB ASN 387 . . A 1 21.521 61.34 80.07 1 21.64 ? CB ASN 387 A 1 +ATOM 2927 C CG ASN 387 . . A 1 22.53 60.443 80.766 1 28.33 ? CG ASN 387 A 1 +ATOM 2928 O OD1 ASN 387 . . A 1 22.41 60.183 81.952 1 35.96 ? OD1 ASN 387 A 1 +ATOM 2929 N ND2 ASN 387 . . A 1 23.541 59.943 80.033 1 29.77 ? ND2 ASN 387 A 1 +ATOM 2930 N N ARG 388 . . A 1 20.558 63.808 78.281 1 11.15 ? N ARG 388 A 1 +ATOM 2931 C CA ARG 388 . . A 1 19.43 64.467 77.645 1 11.5 ? CA ARG 388 A 1 +ATOM 2932 C C ARG 388 . . A 1 19.648 64.479 76.139 1 13.43 ? C ARG 388 A 1 +ATOM 2933 O O ARG 388 . . A 1 18.815 64.11 75.308 1 10.98 ? O ARG 388 A 1 +ATOM 2934 C CB ARG 388 . . A 1 19.34 65.916 78.167 1 9.27 ? CB ARG 388 A 1 +ATOM 2935 C CG ARG 388 . . A 1 18.216 66.78 77.556 1 7.23 ? CG ARG 388 A 1 +ATOM 2936 C CD ARG 388 . . A 1 18.418 68.277 77.829 1 10.14 ? CD ARG 388 A 1 +ATOM 2937 N NE ARG 388 . . A 1 19.677 68.697 77.262 1 9.96 ? NE ARG 388 A 1 +ATOM 2938 C CZ ARG 388 . . A 1 20.276 69.841 77.586 1 14.29 ? CZ ARG 388 A 1 +ATOM 2939 N NH1 ARG 388 . . A 1 19.71 70.708 78.412 1 19.41 ? NH1 ARG 388 A 1 +ATOM 2940 N NH2 ARG 388 . . A 1 21.468 70.114 77.068 1 21.28 ? NH2 ARG 388 A 1 +ATOM 2941 N N ASP 389 . . A 1 20.858 64.938 75.812 1 10.11 ? N ASP 389 A 1 +ATOM 2942 C CA ASP 389 . . A 1 21.227 65.033 74.418 1 6.98 ? CA ASP 389 A 1 +ATOM 2943 C C ASP 389 . . A 1 21.295 63.682 73.756 1 6.78 ? C ASP 389 A 1 +ATOM 2944 O O ASP 389 . . A 1 20.832 63.526 72.638 1 11.27 ? O ASP 389 A 1 +ATOM 2945 C CB ASP 389 . . A 1 22.537 65.804 74.258 1 11.29 ? CB ASP 389 A 1 +ATOM 2946 C CG ASP 389 . . A 1 22.402 67.288 74.636 1 17.29 ? CG ASP 389 A 1 +ATOM 2947 O OD1 ASP 389 . . A 1 21.275 67.756 74.811 1 17.15 ? OD1 ASP 389 A 1 +ATOM 2948 O OD2 ASP 389 . . A 1 23.423 67.979 74.735 1 17.35 ? OD2 ASP 389 A 1 +ATOM 2949 N N GLY 390 . . A 1 21.829 62.673 74.429 1 3.73 ? N GLY 390 A 1 +ATOM 2950 C CA GLY 390 . . A 1 21.891 61.375 73.763 1 6.75 ? CA GLY 390 A 1 +ATOM 2951 C C GLY 390 . . A 1 20.517 60.854 73.369 1 11.44 ? C GLY 390 A 1 +ATOM 2952 O O GLY 390 . . A 1 20.28 60.3 72.303 1 18.6 ? O GLY 390 A 1 +ATOM 2953 N N LEU 391 . . A 1 19.56 61.102 74.239 1 12.73 ? N LEU 391 A 1 +ATOM 2954 C CA LEU 391 . . A 1 18.21 60.633 73.972 1 13.42 ? CA LEU 391 A 1 +ATOM 2955 C C LEU 391 . . A 1 17.604 61.378 72.8 1 12.34 ? C LEU 391 A 1 +ATOM 2956 O O LEU 391 . . A 1 16.874 60.877 71.957 1 11.07 ? O LEU 391 A 1 +ATOM 2957 C CB LEU 391 . . A 1 17.431 60.825 75.281 1 17.09 ? CB LEU 391 A 1 +ATOM 2958 C CG LEU 391 . . A 1 16.427 59.725 75.627 1 15.61 ? CG LEU 391 A 1 +ATOM 2959 C CD1 LEU 391 . . A 1 17.014 58.315 75.658 1 20.05 ? CD1 LEU 391 A 1 +ATOM 2960 C CD2 LEU 391 . . A 1 15.854 60.061 76.993 1 18.22 ? CD2 LEU 391 A 1 +ATOM 2961 N N ASP 392 . . A 1 17.964 62.645 72.739 1 13.63 ? N ASP 392 A 1 +ATOM 2962 C CA ASP 392 . . A 1 17.482 63.48 71.651 1 16.96 ? CA ASP 392 A 1 +ATOM 2963 C C ASP 392 . . A 1 18.015 62.979 70.298 1 21 ? C ASP 392 A 1 +ATOM 2964 O O ASP 392 . . A 1 17.426 63.204 69.238 1 25.56 ? O ASP 392 A 1 +ATOM 2965 C CB ASP 392 . . A 1 17.897 64.926 71.935 1 22.14 ? CB ASP 392 A 1 +ATOM 2966 C CG ASP 392 . . A 1 17.358 65.901 70.91 1 25.9 ? CG ASP 392 A 1 +ATOM 2967 O OD1 ASP 392 . . A 1 17.973 66.037 69.857 1 33.47 ? OD1 ASP 392 A 1 +ATOM 2968 O OD2 ASP 392 . . A 1 16.335 66.521 71.162 1 26.93 ? OD2 ASP 392 A 1 +ATOM 2969 N N ASP 393 . . A 1 19.156 62.283 70.341 1 19.36 ? N ASP 393 A 1 +ATOM 2970 C CA ASP 393 . . A 1 19.713 61.75 69.109 1 14.77 ? CA ASP 393 A 1 +ATOM 2971 C C ASP 393 . . A 1 19.246 60.355 68.865 1 16.13 ? C ASP 393 A 1 +ATOM 2972 O O ASP 393 . . A 1 19.321 59.871 67.745 1 15.95 ? O ASP 393 A 1 +ATOM 2973 C CB ASP 393 . . A 1 21.224 61.641 69.157 1 16.7 ? CB ASP 393 A 1 +ATOM 2974 C CG ASP 393 . . A 1 21.909 62.97 69.052 1 20.9 ? CG ASP 393 A 1 +ATOM 2975 O OD1 ASP 393 . . A 1 21.285 63.912 68.572 1 28.23 ? OD1 ASP 393 A 1 +ATOM 2976 O OD2 ASP 393 . . A 1 23.076 63.058 69.438 1 28.4 ? OD2 ASP 393 A 1 +ATOM 2977 N N ILE 394 . . A 1 18.806 59.67 69.917 1 16.81 ? N ILE 394 A 1 +ATOM 2978 C CA ILE 394 . . A 1 18.326 58.32 69.686 1 14.79 ? CA ILE 394 A 1 +ATOM 2979 C C ILE 394 . . A 1 17.034 58.468 68.911 1 14.4 ? C ILE 394 A 1 +ATOM 2980 O O ILE 394 . . A 1 16.827 57.899 67.848 1 15.07 ? O ILE 394 A 1 +ATOM 2981 C CB ILE 394 . . A 1 18.197 57.526 71.02 1 9.94 ? CB ILE 394 A 1 +ATOM 2982 C CG1 ILE 394 . . A 1 19.6 57.171 71.545 1 9.43 ? CG1 ILE 394 A 1 +ATOM 2983 C CG2 ILE 394 . . A 1 17.36 56.246 70.892 1 3.78 ? CG2 ILE 394 A 1 +ATOM 2984 C CD1 ILE 394 . . A 1 19.62 56.444 72.895 1 11.88 ? CD1 ILE 394 A 1 +ATOM 2985 N N VAL 395 . . A 1 16.159 59.314 69.44 1 17.14 ? N VAL 395 A 1 +ATOM 2986 C CA VAL 395 . . A 1 14.882 59.476 68.762 1 16.27 ? CA VAL 395 A 1 +ATOM 2987 C C VAL 395 . . A 1 15.066 59.986 67.326 1 18.15 ? C VAL 395 A 1 +ATOM 2988 O O VAL 395 . . A 1 14.518 59.477 66.36 1 17.08 ? O VAL 395 A 1 +ATOM 2989 C CB VAL 395 . . A 1 13.981 60.346 69.672 1 13.18 ? CB VAL 395 A 1 +ATOM 2990 C CG1 VAL 395 . . A 1 12.546 60.519 69.153 1 12.93 ? CG1 VAL 395 A 1 +ATOM 2991 C CG2 VAL 395 . . A 1 13.926 59.757 71.097 1 6.53 ? CG2 VAL 395 A 1 +ATOM 2992 N N GLY 396 . . A 1 15.891 61.009 67.18 1 21.58 ? N GLY 396 A 1 +ATOM 2993 C CA GLY 396 . . A 1 16.084 61.55 65.844 1 18.28 ? CA GLY 396 A 1 +ATOM 2994 C C GLY 396 . . A 1 16.695 60.588 64.847 1 16.4 ? C GLY 396 A 1 +ATOM 2995 O O GLY 396 . . A 1 16.185 60.406 63.751 1 23.24 ? O GLY 396 A 1 +ATOM 2996 N N ASP 397 . . A 1 17.805 59.961 65.219 1 12.43 ? N ASP 397 A 1 +ATOM 2997 C CA ASP 397 . . A 1 18.447 59.048 64.289 1 3.45 ? CA ASP 397 A 1 +ATOM 2998 C C ASP 397 . . A 1 17.594 57.853 63.993 1 5.71 ? C ASP 397 A 1 +ATOM 2999 O O ASP 397 . . A 1 17.481 57.433 62.852 1 11.98 ? O ASP 397 A 1 +ATOM 3000 C CB ASP 397 . . A 1 19.799 58.569 64.821 1 2.73 ? CB ASP 397 A 1 +ATOM 3001 C CG ASP 397 . . A 1 20.775 59.713 65.035 1 7.64 ? CG ASP 397 A 1 +ATOM 3002 O OD1 ASP 397 . . A 1 20.479 60.845 64.65 1 6.63 ? OD1 ASP 397 A 1 +ATOM 3003 O OD2 ASP 397 . . A 1 21.844 59.477 65.595 1 10.63 ? OD2 ASP 397 A 1 +ATOM 3004 N N HIS 398 . . A 1 16.974 57.304 65.016 1 5.99 ? N HIS 398 A 1 +ATOM 3005 C CA HIS 398 . . A 1 16.16 56.141 64.764 1 8.08 ? CA HIS 398 A 1 +ATOM 3006 C C HIS 398 . . A 1 14.946 56.444 63.901 1 12.21 ? C HIS 398 A 1 +ATOM 3007 O O HIS 398 . . A 1 14.656 55.722 62.959 1 17.17 ? O HIS 398 A 1 +ATOM 3008 C CB HIS 398 . . A 1 15.656 55.541 66.098 1 5.36 ? CB HIS 398 A 1 +ATOM 3009 C CG HIS 398 . . A 1 14.66 54.405 65.892 1 3.31 ? CG HIS 398 A 1 +ATOM 3010 N ND1 HIS 398 . . A 1 14.967 53.237 65.314 1 2 ? ND1 HIS 398 A 1 +ATOM 3011 C CD2 HIS 398 . . A 1 13.281 54.365 66.23 1 5.16 ? CD2 HIS 398 A 1 +ATOM 3012 C CE1 HIS 398 . . A 1 13.84 52.506 65.297 1 2.44 ? CE1 HIS 398 A 1 +ATOM 3013 N NE2 HIS 398 . . A 1 12.802 53.16 65.843 1 2 ? NE2 HIS 398 A 1 +ATOM 3014 N N ASN 399 . . A 1 14.251 57.533 64.234 1 11.6 ? N ASN 399 A 1 +ATOM 3015 C CA ASN 399 . . A 1 13 57.822 63.527 1 11.44 ? CA ASN 399 A 1 +ATOM 3016 C C ASN 399 . . A 1 12.992 58.748 62.33 1 10.94 ? C ASN 399 A 1 +ATOM 3017 O O ASN 399 . . A 1 11.989 58.763 61.629 1 11.39 ? O ASN 399 A 1 +ATOM 3018 C CB ASN 399 . . A 1 11.987 58.485 64.48 1 13.59 ? CB ASN 399 A 1 +ATOM 3019 C CG ASN 399 . . A 1 11.643 57.649 65.659 1 12.03 ? CG ASN 399 A 1 +ATOM 3020 O OD1 ASN 399 . . A 1 10.74 56.841 65.605 1 7.86 ? OD1 ASN 399 A 1 +ATOM 3021 N ND2 ASN 399 . . A 1 12.376 57.852 66.74 1 16.18 ? ND2 ASN 399 A 1 +ATOM 3022 N N VAL 400 . . A 1 14.027 59.553 62.106 1 8.13 ? N VAL 400 A 1 +ATOM 3023 C CA VAL 400 . . A 1 13.945 60.448 60.962 1 6.64 ? CA VAL 400 A 1 +ATOM 3024 C C VAL 400 . . A 1 15.215 60.433 60.133 1 11.94 ? C VAL 400 A 1 +ATOM 3025 O O VAL 400 . . A 1 15.197 60.192 58.936 1 19.91 ? O VAL 400 A 1 +ATOM 3026 C CB VAL 400 . . A 1 13.629 61.87 61.447 1 2 ? CB VAL 400 A 1 +ATOM 3027 C CG1 VAL 400 . . A 1 13.447 62.823 60.272 1 9.1 ? CG1 VAL 400 A 1 +ATOM 3028 C CG2 VAL 400 . . A 1 12.362 61.916 62.321 1 2 ? CG2 VAL 400 A 1 +ATOM 3029 N N ILE 401 . . A 1 16.354 60.678 60.767 1 12.04 ? N ILE 401 A 1 +ATOM 3030 C CA ILE 401 . . A 1 17.569 60.715 59.961 1 10.1 ? CA ILE 401 A 1 +ATOM 3031 C C ILE 401 . . A 1 17.938 59.398 59.349 1 11.78 ? C ILE 401 A 1 +ATOM 3032 O O ILE 401 . . A 1 18.093 59.291 58.145 1 18.25 ? O ILE 401 A 1 +ATOM 3033 C CB ILE 401 . . A 1 18.755 61.335 60.721 1 8.29 ? CB ILE 401 A 1 +ATOM 3034 C CG1 ILE 401 . . A 1 18.295 62.654 61.372 1 3.74 ? CG1 ILE 401 A 1 +ATOM 3035 C CG2 ILE 401 . . A 1 19.984 61.535 59.814 1 8.02 ? CG2 ILE 401 A 1 +ATOM 3036 C CD1 ILE 401 . . A 1 19.433 63.514 61.913 1 2 ? CD1 ILE 401 A 1 +ATOM 3037 N N CYS 402 . . A 1 18.088 58.365 60.152 1 13.62 ? N CYS 402 A 1 +ATOM 3038 C CA CYS 402 . . A 1 18.495 57.121 59.506 1 14.5 ? CA CYS 402 A 1 +ATOM 3039 C C CYS 402 . . A 1 17.572 56.533 58.45 1 13.22 ? C CYS 402 A 1 +ATOM 3040 O O CYS 402 . . A 1 18.124 56.12 57.438 1 19.78 ? O CYS 402 A 1 +ATOM 3041 C CB CYS 402 . . A 1 19.014 56.084 60.477 1 11.32 ? CB CYS 402 A 1 +ATOM 3042 S SG CYS 402 . . A 1 20.385 56.807 61.425 1 15.97 ? SG CYS 402 A 1 +ATOM 3043 N N PRO 403 . . A 1 16.235 56.464 58.6 1 8.93 ? N PRO 403 A 1 +ATOM 3044 C CA PRO 403 . . A 1 15.429 55.964 57.494 1 10.79 ? CA PRO 403 A 1 +ATOM 3045 C C PRO 403 . . A 1 15.525 56.854 56.245 1 12.36 ? C PRO 403 A 1 +ATOM 3046 O O PRO 403 . . A 1 15.529 56.351 55.119 1 14.53 ? O PRO 403 A 1 +ATOM 3047 C CB PRO 403 . . A 1 14.006 55.757 58.043 1 6.7 ? CB PRO 403 A 1 +ATOM 3048 C CG PRO 403 . . A 1 14.02 56.382 59.436 1 11.2 ? CG PRO 403 A 1 +ATOM 3049 C CD PRO 403 . . A 1 15.491 56.629 59.826 1 10.36 ? CD PRO 403 A 1 +ATOM 3050 N N LEU 404 . . A 1 15.628 58.175 56.465 1 11.19 ? N LEU 404 A 1 +ATOM 3051 C CA LEU 404 . . A 1 15.735 59.087 55.32 1 9.91 ? CA LEU 404 A 1 +ATOM 3052 C C LEU 404 . . A 1 17.004 58.797 54.535 1 13.85 ? C LEU 404 A 1 +ATOM 3053 O O LEU 404 . . A 1 17.003 58.677 53.314 1 16.68 ? O LEU 404 A 1 +ATOM 3054 C CB LEU 404 . . A 1 15.669 60.553 55.77 1 5.07 ? CB LEU 404 A 1 +ATOM 3055 C CG LEU 404 . . A 1 15.739 61.585 54.627 1 2.5 ? CG LEU 404 A 1 +ATOM 3056 C CD1 LEU 404 . . A 1 14.649 62.656 54.746 1 2 ? CD1 LEU 404 A 1 +ATOM 3057 C CD2 LEU 404 . . A 1 17.12 62.247 54.544 1 6.97 ? CD2 LEU 404 A 1 +ATOM 3058 N N MET 405 . . A 1 18.117 58.637 55.263 1 12 ? N MET 405 A 1 +ATOM 3059 C CA MET 405 . . A 1 19.348 58.326 54.539 1 10.39 ? CA MET 405 A 1 +ATOM 3060 C C MET 405 . . A 1 19.229 57.001 53.802 1 10.1 ? C MET 405 A 1 +ATOM 3061 O O MET 405 . . A 1 19.838 56.745 52.774 1 12.42 ? O MET 405 A 1 +ATOM 3062 C CB MET 405 . . A 1 20.552 58.236 55.476 1 6.38 ? CB MET 405 A 1 +ATOM 3063 C CG MET 405 . . A 1 20.791 59.55 56.205 1 8.23 ? CG MET 405 A 1 +ATOM 3064 S SD MET 405 . . A 1 21.08 60.867 55.011 1 9.64 ? SD MET 405 A 1 +ATOM 3065 C CE MET 405 . . A 1 22.706 60.365 54.398 1 6.69 ? CE MET 405 A 1 +ATOM 3066 N N HIS 406 . . A 1 18.421 56.121 54.352 1 8.78 ? N HIS 406 A 1 +ATOM 3067 C CA HIS 406 . . A 1 18.273 54.847 53.674 1 14.38 ? CA HIS 406 A 1 +ATOM 3068 C C HIS 406 . . A 1 17.589 55.083 52.331 1 17.53 ? C HIS 406 A 1 +ATOM 3069 O O HIS 406 . . A 1 18.028 54.641 51.274 1 22.81 ? O HIS 406 A 1 +ATOM 3070 C CB HIS 406 . . A 1 17.449 53.885 54.554 1 14.21 ? CB HIS 406 A 1 +ATOM 3071 C CG HIS 406 . . A 1 17.406 52.506 53.951 1 11.97 ? CG HIS 406 A 1 +ATOM 3072 N ND1 HIS 406 . . A 1 18.492 51.722 53.819 1 8.45 ? ND1 HIS 406 A 1 +ATOM 3073 C CD2 HIS 406 . . A 1 16.284 51.813 53.44 1 10.64 ? CD2 HIS 406 A 1 +ATOM 3074 C CE1 HIS 406 . . A 1 18.058 50.585 53.25 1 10.91 ? CE1 HIS 406 A 1 +ATOM 3075 N NE2 HIS 406 . . A 1 16.734 50.62 53.012 1 7.82 ? NE2 HIS 406 A 1 +ATOM 3076 N N PHE 407 . . A 1 16.493 55.848 52.405 1 17.65 ? N PHE 407 A 1 +ATOM 3077 C CA PHE 407 . . A 1 15.696 56.164 51.206 1 14.69 ? CA PHE 407 A 1 +ATOM 3078 C C PHE 407 . . A 1 16.547 56.83 50.161 1 14.22 ? C PHE 407 A 1 +ATOM 3079 O O PHE 407 . . A 1 16.575 56.427 49.013 1 17.34 ? O PHE 407 A 1 +ATOM 3080 C CB PHE 407 . . A 1 14.542 57.078 51.605 1 12.33 ? CB PHE 407 A 1 +ATOM 3081 C CG PHE 407 . . A 1 13.625 57.489 50.499 1 3.35 ? CG PHE 407 A 1 +ATOM 3082 C CD1 PHE 407 . . A 1 12.684 56.579 50.008 1 5.65 ? CD1 PHE 407 A 1 +ATOM 3083 C CD2 PHE 407 . . A 1 13.668 58.801 50.002 1 6.05 ? CD2 PHE 407 A 1 +ATOM 3084 C CE1 PHE 407 . . A 1 11.771 56.991 49.026 1 8.33 ? CE1 PHE 407 A 1 +ATOM 3085 C CE2 PHE 407 . . A 1 12.757 59.209 49.016 1 9.1 ? CE2 PHE 407 A 1 +ATOM 3086 C CZ PHE 407 . . A 1 11.805 58.305 48.524 1 4.46 ? CZ PHE 407 A 1 +ATOM 3087 N N VAL 408 . . A 1 17.279 57.849 50.591 1 12.31 ? N VAL 408 A 1 +ATOM 3088 C CA VAL 408 . . A 1 18.151 58.552 49.671 1 9.26 ? CA VAL 408 A 1 +ATOM 3089 C C VAL 408 . . A 1 19.09 57.619 48.972 1 11.77 ? C VAL 408 A 1 +ATOM 3090 O O VAL 408 . . A 1 19.218 57.638 47.761 1 17.89 ? O VAL 408 A 1 +ATOM 3091 C CB VAL 408 . . A 1 18.942 59.613 50.439 1 5.68 ? CB VAL 408 A 1 +ATOM 3092 C CG1 VAL 408 . . A 1 20.075 60.236 49.642 1 4.05 ? CG1 VAL 408 A 1 +ATOM 3093 C CG2 VAL 408 . . A 1 17.982 60.718 50.857 1 15.34 ? CG2 VAL 408 A 1 +ATOM 3094 N N ASN 409 . . A 1 19.735 56.759 49.738 1 11.92 ? N ASN 409 A 1 +ATOM 3095 C CA ASN 409 . . A 1 20.667 55.896 49.049 1 11.95 ? CA ASN 409 A 1 +ATOM 3096 C C ASN 409 . . A 1 20.016 54.975 48.085 1 13.78 ? C ASN 409 A 1 +ATOM 3097 O O ASN 409 . . A 1 20.558 54.718 47.022 1 17.57 ? O ASN 409 A 1 +ATOM 3098 C CB ASN 409 . . A 1 21.513 55.093 50.01 1 17.99 ? CB ASN 409 A 1 +ATOM 3099 C CG ASN 409 . . A 1 22.596 56.014 50.523 1 27.06 ? CG ASN 409 A 1 +ATOM 3100 O OD1 ASN 409 . . A 1 23.575 56.287 49.842 1 31.47 ? OD1 ASN 409 A 1 +ATOM 3101 N ND2 ASN 409 . . A 1 22.413 56.505 51.746 1 30.06 ? ND2 ASN 409 A 1 +ATOM 3102 N N LYS 410 . . A 1 18.847 54.458 48.435 1 14.56 ? N LYS 410 A 1 +ATOM 3103 C CA LYS 410 . . A 1 18.255 53.555 47.45 1 17 ? CA LYS 410 A 1 +ATOM 3104 C C LYS 410 . . A 1 17.628 54.304 46.266 1 17.5 ? C LYS 410 A 1 +ATOM 3105 O O LYS 410 . . A 1 17.487 53.799 45.165 1 19.56 ? O LYS 410 A 1 +ATOM 3106 C CB LYS 410 . . A 1 17.248 52.611 48.122 1 20.71 ? CB LYS 410 A 1 +ATOM 3107 C CG LYS 410 . . A 1 17.908 51.718 49.185 1 20.55 ? CG LYS 410 A 1 +ATOM 3108 C CD LYS 410 . . A 1 17.452 50.251 49.115 1 26.51 ? CD LYS 410 A 1 +ATOM 3109 C CE LYS 410 . . A 1 18.611 49.238 49.018 1 29.06 ? CE LYS 410 A 1 +ATOM 3110 N NZ LYS 410 . . A 1 18.277 48.013 49.749 1 39.74 ? NZ LYS 410 A 1 +ATOM 3111 N N TYR 411 . . A 1 17.242 55.543 46.489 1 16.18 ? N TYR 411 A 1 +ATOM 3112 C CA TYR 411 . . A 1 16.627 56.259 45.386 1 18.03 ? CA TYR 411 A 1 +ATOM 3113 C C TYR 411 . . A 1 17.659 56.751 44.412 1 22.49 ? C TYR 411 A 1 +ATOM 3114 O O TYR 411 . . A 1 17.502 56.663 43.201 1 22.41 ? O TYR 411 A 1 +ATOM 3115 C CB TYR 411 . . A 1 15.854 57.471 45.904 1 11.23 ? CB TYR 411 A 1 +ATOM 3116 C CG TYR 411 . . A 1 14.999 58.125 44.836 1 5.6 ? CG TYR 411 A 1 +ATOM 3117 C CD1 TYR 411 . . A 1 13.747 57.578 44.508 1 2.08 ? CD1 TYR 411 A 1 +ATOM 3118 C CD2 TYR 411 . . A 1 15.428 59.307 44.207 1 4.34 ? CD2 TYR 411 A 1 +ATOM 3119 C CE1 TYR 411 . . A 1 12.913 58.22 43.586 1 4.24 ? CE1 TYR 411 A 1 +ATOM 3120 C CE2 TYR 411 . . A 1 14.598 59.95 43.287 1 2 ? CE2 TYR 411 A 1 +ATOM 3121 C CZ TYR 411 . . A 1 13.344 59.409 42.977 1 8.61 ? CZ TYR 411 A 1 +ATOM 3122 O OH TYR 411 . . A 1 12.557 60.074 42.057 1 16.66 ? OH TYR 411 A 1 +ATOM 3123 N N THR 412 . . A 1 18.74 57.293 44.956 1 24.51 ? N THR 412 A 1 +ATOM 3124 C CA THR 412 . . A 1 19.797 57.83 44.105 1 25.23 ? CA THR 412 A 1 +ATOM 3125 C C THR 412 . . A 1 20.306 56.858 43.091 1 22.66 ? C THR 412 A 1 +ATOM 3126 O O THR 412 . . A 1 20.812 57.27 42.056 1 23.24 ? O THR 412 A 1 +ATOM 3127 C CB THR 412 . . A 1 20.895 58.461 44.978 1 24.6 ? CB THR 412 A 1 +ATOM 3128 O OG1 THR 412 . . A 1 20.281 59.445 45.809 1 26.37 ? OG1 THR 412 A 1 +ATOM 3129 C CG2 THR 412 . . A 1 21.998 59.21 44.205 1 26.6 ? CG2 THR 412 A 1 +ATOM 3130 N N LYS 413 . . A 1 20.163 55.564 43.354 1 23.19 ? N LYS 413 A 1 +ATOM 3131 C CA LYS 413 . . A 1 20.682 54.713 42.345 1 25.73 ? CA LYS 413 A 1 +ATOM 3132 C C LYS 413 . . A 1 19.917 54.864 41.029 1 26.73 ? C LYS 413 A 1 +ATOM 3133 O O LYS 413 . . A 1 20.461 54.651 40.014 1 28.6 ? O LYS 413 A 1 +ATOM 3134 C CB LYS 413 . . A 1 20.665 53.23 42.754 1 24.16 ? CB LYS 413 A 1 +ATOM 3135 C CG LYS 413 . . A 1 21.693 52.927 43.883 1 27.52 ? CG LYS 413 A 1 +ATOM 3136 C CD LYS 413 . . A 1 21.33 51.727 44.779 1 36.17 ? CD LYS 413 A 1 +ATOM 3137 N N PHE 414 . . A 1 18.623 55.18 41.183 1 28.42 ? N PHE 414 A 1 +ATOM 3138 C CA PHE 414 . . A 1 17.814 55.245 39.972 1 29.89 ? CA PHE 414 A 1 +ATOM 3139 C C PHE 414 . . A 1 17.061 56.556 39.706 1 28.33 ? C PHE 414 A 1 +ATOM 3140 O O PHE 414 . . A 1 16.297 56.674 38.736 1 31.27 ? O PHE 414 A 1 +ATOM 3141 C CB PHE 414 . . A 1 16.74 54.146 40.065 1 32.75 ? CB PHE 414 A 1 +ATOM 3142 C CG PHE 414 . . A 1 17.272 52.746 40.301 1 37.5 ? CG PHE 414 A 1 +ATOM 3143 C CD1 PHE 414 . . A 1 18.572 52.276 40.169 1 44.88 ? CD1 PHE 414 A 1 +ATOM 3144 C CD2 PHE 414 . . A 1 16.344 51.858 40.722 1 43.49 ? CD2 PHE 414 A 1 +ATOM 3145 C CE1 PHE 414 . . A 1 18.984 51.007 40.512 1 50.06 ? CE1 PHE 414 A 1 +ATOM 3146 C CE2 PHE 414 . . A 1 16.694 50.529 41.049 1 45.95 ? CE2 PHE 414 A 1 +ATOM 3147 C CZ PHE 414 . . A 1 18.03 50.125 40.954 1 46.66 ? CZ PHE 414 A 1 +ATOM 3148 N N GLY 415 . . A 1 17.218 57.553 40.575 1 26.12 ? N GLY 415 A 1 +ATOM 3149 C CA GLY 415 . . A 1 16.485 58.772 40.358 1 25.57 ? CA GLY 415 A 1 +ATOM 3150 C C GLY 415 . . A 1 17.222 59.643 39.391 1 25.05 ? C GLY 415 A 1 +ATOM 3151 O O GLY 415 . . A 1 18.299 59.318 38.929 1 23.29 ? O GLY 415 A 1 +ATOM 3152 N N ASN 416 . . A 1 16.658 60.812 39.103 1 28.85 ? N ASN 416 A 1 +ATOM 3153 C CA ASN 416 . . A 1 17.307 61.714 38.161 1 34.03 ? CA ASN 416 A 1 +ATOM 3154 C C ASN 416 . . A 1 17.867 62.946 38.848 1 33.9 ? C ASN 416 A 1 +ATOM 3155 O O ASN 416 . . A 1 17.753 64.054 38.351 1 35.24 ? O ASN 416 A 1 +ATOM 3156 C CB ASN 416 . . A 1 16.331 62.053 36.999 1 39.49 ? CB ASN 416 A 1 +ATOM 3157 C CG ASN 416 . . A 1 16.946 62.694 35.738 1 42.24 ? CG ASN 416 A 1 +ATOM 3158 O OD1 ASN 416 . . A 1 16.387 63.603 35.139 1 46.71 ? OD1 ASN 416 A 1 +ATOM 3159 N ND2 ASN 416 . . A 1 18.1 62.178 35.308 1 38.36 ? ND2 ASN 416 A 1 +ATOM 3160 N N GLY 417 . . A 1 18.467 62.755 40.028 1 37.53 ? N GLY 417 A 1 +ATOM 3161 C CA GLY 417 . . A 1 19.061 63.874 40.788 1 35.91 ? CA GLY 417 A 1 +ATOM 3162 C C GLY 417 . . A 1 18.572 63.903 42.225 1 30.56 ? C GLY 417 A 1 +ATOM 3163 O O GLY 417 . . A 1 17.407 63.631 42.488 1 29.49 ? O GLY 417 A 1 +ATOM 3164 N N THR 418 . . A 1 19.465 64.226 43.162 1 27.58 ? N THR 418 A 1 +ATOM 3165 C CA THR 418 . . A 1 19.038 64.247 44.557 1 27.31 ? CA THR 418 A 1 +ATOM 3166 C C THR 418 . . A 1 19.764 65.383 45.256 1 25.21 ? C THR 418 A 1 +ATOM 3167 O O THR 418 . . A 1 20.978 65.478 45.111 1 26.31 ? O THR 418 A 1 +ATOM 3168 C CB THR 418 . . A 1 19.424 62.879 45.187 1 23.65 ? CB THR 418 A 1 +ATOM 3169 O OG1 THR 418 . . A 1 18.789 61.811 44.47 1 29.4 ? OG1 THR 418 A 1 +ATOM 3170 C CG2 THR 418 . . A 1 19.017 62.701 46.648 1 21.43 ? CG2 THR 418 A 1 +ATOM 3171 N N TYR 419 . . A 1 19.03 66.227 45.997 1 22.29 ? N TYR 419 A 1 +ATOM 3172 C CA TYR 419 . . A 1 19.643 67.346 46.738 1 25.88 ? CA TYR 419 A 1 +ATOM 3173 C C TYR 419 . . A 1 19.254 67.124 48.199 1 25.8 ? C TYR 419 A 1 +ATOM 3174 O O TYR 419 . . A 1 18.079 66.883 48.465 1 27.82 ? O TYR 419 A 1 +ATOM 3175 C CB TYR 419 . . A 1 19.164 68.702 46.184 1 30.13 ? CB TYR 419 A 1 +ATOM 3176 C CG TYR 419 . . A 1 19.512 68.841 44.711 1 29.73 ? CG TYR 419 A 1 +ATOM 3177 C CD1 TYR 419 . . A 1 18.6 68.368 43.751 1 31.8 ? CD1 TYR 419 A 1 +ATOM 3178 C CD2 TYR 419 . . A 1 20.734 69.407 44.287 1 26.44 ? CD2 TYR 419 A 1 +ATOM 3179 C CE1 TYR 419 . . A 1 18.899 68.453 42.387 1 32.84 ? CE1 TYR 419 A 1 +ATOM 3180 C CE2 TYR 419 . . A 1 21.036 69.489 42.917 1 27.55 ? CE2 TYR 419 A 1 +ATOM 3181 C CZ TYR 419 . . A 1 20.114 69.013 41.961 1 31.05 ? CZ TYR 419 A 1 +ATOM 3182 O OH TYR 419 . . A 1 20.364 69.09 40.602 1 31.88 ? OH TYR 419 A 1 +ATOM 3183 N N LEU 420 . . A 1 20.228 67.176 49.121 1 19.41 ? N LEU 420 A 1 +ATOM 3184 C CA LEU 420 . . A 1 20.014 66.915 50.54 1 17.98 ? CA LEU 420 A 1 +ATOM 3185 C C LEU 420 . . A 1 20.492 68.074 51.392 1 19.04 ? C LEU 420 A 1 +ATOM 3186 O O LEU 420 . . A 1 21.58 68.595 51.158 1 16.48 ? O LEU 420 A 1 +ATOM 3187 C CB LEU 420 . . A 1 20.834 65.657 50.884 1 13.19 ? CB LEU 420 A 1 +ATOM 3188 C CG LEU 420 . . A 1 20.683 65.139 52.324 1 13.97 ? CG LEU 420 A 1 +ATOM 3189 C CD1 LEU 420 . . A 1 19.221 64.883 52.694 1 13.11 ? CD1 LEU 420 A 1 +ATOM 3190 C CD2 LEU 420 . . A 1 21.501 63.86 52.553 1 9.68 ? CD2 LEU 420 A 1 +ATOM 3191 N N TYR 421 . . A 1 19.674 68.47 52.388 1 20 ? N TYR 421 A 1 +ATOM 3192 C CA TYR 421 . . A 1 20.041 69.576 53.3 1 21.21 ? CA TYR 421 A 1 +ATOM 3193 C C TYR 421 . . A 1 19.942 69.123 54.759 1 22.16 ? C TYR 421 A 1 +ATOM 3194 O O TYR 421 . . A 1 19.268 68.147 55.083 1 27.68 ? O TYR 421 A 1 +ATOM 3195 C CB TYR 421 . . A 1 19.16 70.825 53.113 1 18.16 ? CB TYR 421 A 1 +ATOM 3196 C CG TYR 421 . . A 1 17.717 70.594 53.501 1 20.61 ? CG TYR 421 A 1 +ATOM 3197 C CD1 TYR 421 . . A 1 16.78 70.057 52.595 1 18.3 ? CD1 TYR 421 A 1 +ATOM 3198 C CD2 TYR 421 . . A 1 17.312 70.898 54.806 1 17.41 ? CD2 TYR 421 A 1 +ATOM 3199 C CE1 TYR 421 . . A 1 15.451 69.838 53.002 1 18.02 ? CE1 TYR 421 A 1 +ATOM 3200 C CE2 TYR 421 . . A 1 15.996 70.665 55.207 1 18.17 ? CE2 TYR 421 A 1 +ATOM 3201 C CZ TYR 421 . . A 1 15.057 70.145 54.313 1 17.49 ? CZ TYR 421 A 1 +ATOM 3202 O OH TYR 421 . . A 1 13.749 69.954 54.734 1 23.43 ? OH TYR 421 A 1 +ATOM 3203 N N PHE 422 . . A 1 20.608 69.887 55.631 1 19.35 ? N PHE 422 A 1 +ATOM 3204 C CA PHE 422 . . A 1 20.637 69.652 57.073 1 16.89 ? CA PHE 422 A 1 +ATOM 3205 C C PHE 422 . . A 1 20.322 71.005 57.627 1 15.31 ? C PHE 422 A 1 +ATOM 3206 O O PHE 422 . . A 1 21.156 71.895 57.543 1 17.01 ? O PHE 422 A 1 +ATOM 3207 C CB PHE 422 . . A 1 22.054 69.215 57.459 1 17.68 ? CB PHE 422 A 1 +ATOM 3208 C CG PHE 422 . . A 1 22.178 68.85 58.909 1 18.34 ? CG PHE 422 A 1 +ATOM 3209 C CD1 PHE 422 . . A 1 21.524 67.705 59.394 1 17.93 ? CD1 PHE 422 A 1 +ATOM 3210 C CD2 PHE 422 . . A 1 22.957 69.638 59.779 1 20.27 ? CD2 PHE 422 A 1 +ATOM 3211 C CE1 PHE 422 . . A 1 21.65 67.347 60.742 1 16.41 ? CE1 PHE 422 A 1 +ATOM 3212 C CE2 PHE 422 . . A 1 23.087 69.277 61.123 1 16.33 ? CE2 PHE 422 A 1 +ATOM 3213 C CZ PHE 422 . . A 1 22.431 68.132 61.601 1 17.51 ? CZ PHE 422 A 1 +ATOM 3214 N N PHE 423 . . A 1 19.102 71.191 58.111 1 14.66 ? N PHE 423 A 1 +ATOM 3215 C CA PHE 423 . . A 1 18.694 72.484 58.631 1 16.94 ? CA PHE 423 A 1 +ATOM 3216 C C PHE 423 . . A 1 19.04 72.523 60.103 1 20.96 ? C PHE 423 A 1 +ATOM 3217 O O PHE 423 . . A 1 18.555 71.738 60.923 1 26.49 ? O PHE 423 A 1 +ATOM 3218 C CB PHE 423 . . A 1 17.2 72.684 58.39 1 12.96 ? CB PHE 423 A 1 +ATOM 3219 C CG PHE 423 . . A 1 16.724 74.04 58.834 1 12.99 ? CG PHE 423 A 1 +ATOM 3220 C CD1 PHE 423 . . A 1 16.886 75.165 58.004 1 14.02 ? CD1 PHE 423 A 1 +ATOM 3221 C CD2 PHE 423 . . A 1 16.1 74.192 60.08 1 17.13 ? CD2 PHE 423 A 1 +ATOM 3222 C CE1 PHE 423 . . A 1 16.416 76.428 58.401 1 11.33 ? CE1 PHE 423 A 1 +ATOM 3223 C CE2 PHE 423 . . A 1 15.623 75.456 60.481 1 20.89 ? CE2 PHE 423 A 1 +ATOM 3224 C CZ PHE 423 . . A 1 15.778 76.573 59.637 1 15.84 ? CZ PHE 423 A 1 +ATOM 3225 N N ASN 424 . . A 1 19.894 73.481 60.441 1 18.24 ? N ASN 424 A 1 +ATOM 3226 C CA ASN 424 . . A 1 20.337 73.577 61.812 1 14.83 ? CA ASN 424 A 1 +ATOM 3227 C C ASN 424 . . A 1 20.403 74.99 62.302 1 12.86 ? C ASN 424 A 1 +ATOM 3228 O O ASN 424 . . A 1 21.415 75.403 62.828 1 16.41 ? O ASN 424 A 1 +ATOM 3229 C CB ASN 424 . . A 1 21.694 72.892 61.978 1 9.86 ? CB ASN 424 A 1 +ATOM 3230 C CG ASN 424 . . A 1 22.744 73.517 61.102 1 14.25 ? CG ASN 424 A 1 +ATOM 3231 O OD1 ASN 424 . . A 1 22.489 74.376 60.268 1 19.01 ? OD1 ASN 424 A 1 +ATOM 3232 N ND2 ASN 424 . . A 1 23.976 73.051 61.272 1 17.43 ? ND2 ASN 424 A 1 +ATOM 3233 N N HIS 425 . . A 1 19.324 75.737 62.152 1 14.01 ? N HIS 425 A 1 +ATOM 3234 C CA HIS 425 . . A 1 19.291 77.111 62.619 1 14.7 ? CA HIS 425 A 1 +ATOM 3235 C C HIS 425 . . A 1 18.127 77.227 63.581 1 20.28 ? C HIS 425 A 1 +ATOM 3236 O O HIS 425 . . A 1 17.025 76.743 63.342 1 22.87 ? O HIS 425 A 1 +ATOM 3237 C CB HIS 425 . . A 1 19.069 78.038 61.424 1 13.69 ? CB HIS 425 A 1 +ATOM 3238 C CG HIS 425 . . A 1 18.758 79.457 61.849 1 16.2 ? CG HIS 425 A 1 +ATOM 3239 N ND1 HIS 425 . . A 1 19.673 80.364 62.264 1 14.43 ? ND1 HIS 425 A 1 +ATOM 3240 C CD2 HIS 425 . . A 1 17.483 80.067 61.888 1 16.15 ? CD2 HIS 425 A 1 +ATOM 3241 C CE1 HIS 425 . . A 1 18.988 81.491 62.54 1 13.89 ? CE1 HIS 425 A 1 +ATOM 3242 N NE2 HIS 425 . . A 1 17.667 81.335 62.316 1 13.71 ? NE2 HIS 425 A 1 +ATOM 3243 N N ARG 426 . . A 1 18.386 77.897 64.696 1 24.28 ? N ARG 426 A 1 +ATOM 3244 C CA ARG 426 . . A 1 17.337 78.083 65.683 1 27.35 ? CA ARG 426 A 1 +ATOM 3245 C C ARG 426 . . A 1 16.832 79.506 65.509 1 27.39 ? C ARG 426 A 1 +ATOM 3246 O O ARG 426 . . A 1 17.588 80.471 65.63 1 26.12 ? O ARG 426 A 1 +ATOM 3247 C CB ARG 426 . . A 1 17.902 77.842 67.106 1 30.12 ? CB ARG 426 A 1 +ATOM 3248 C CG ARG 426 . . A 1 16.81 77.838 68.2 1 36.19 ? CG ARG 426 A 1 +ATOM 3249 C CD ARG 426 . . A 1 17.26 77.301 69.568 1 36.3 ? CD ARG 426 A 1 +ATOM 3250 N NE ARG 426 . . A 1 16.233 77.525 70.574 1 39.87 ? NE ARG 426 A 1 +ATOM 3251 C CZ ARG 426 . . A 1 16.103 78.735 71.15 1 44.86 ? CZ ARG 426 A 1 +ATOM 3252 N NH1 ARG 426 . . A 1 16.896 79.766 70.825 1 45.41 ? NH1 ARG 426 A 1 +ATOM 3253 N NH2 ARG 426 . . A 1 15.158 78.908 72.068 1 46.68 ? NH2 ARG 426 A 1 +ATOM 3254 N N ALA 427 . . A 1 15.526 79.628 65.219 1 25.42 ? N ALA 427 A 1 +ATOM 3255 C CA ALA 427 . . A 1 15.003 80.979 65.054 1 24.06 ? CA ALA 427 A 1 +ATOM 3256 C C ALA 427 . . A 1 15.285 81.755 66.302 1 24.95 ? C ALA 427 A 1 +ATOM 3257 O O ALA 427 . . A 1 15.147 81.236 67.399 1 23.58 ? O ALA 427 A 1 +ATOM 3258 C CB ALA 427 . . A 1 13.487 81.02 64.833 1 21.86 ? CB ALA 427 A 1 +ATOM 3259 N N SER 428 . . A 1 15.636 83.023 66.1 1 27.92 ? N SER 428 A 1 +ATOM 3260 C CA SER 428 . . A 1 15.952 83.883 67.235 1 27.44 ? CA SER 428 A 1 +ATOM 3261 C C SER 428 . . A 1 14.768 84.113 68.163 1 27.61 ? C SER 428 A 1 +ATOM 3262 O O SER 428 . . A 1 14.926 84.401 69.339 1 33.83 ? O SER 428 A 1 +ATOM 3263 C CB SER 428 . . A 1 16.575 85.213 66.778 1 25.08 ? CB SER 428 A 1 +ATOM 3264 O OG SER 428 . . A 1 15.802 85.842 65.75 1 27.48 ? OG SER 428 A 1 +ATOM 3265 N N ASN 429 . . A 1 13.572 83.993 67.608 1 25.58 ? N ASN 429 A 1 +ATOM 3266 C CA ASN 429 . . A 1 12.36 84.182 68.382 1 26.14 ? CA ASN 429 A 1 +ATOM 3267 C C ASN 429 . . A 1 11.719 82.855 68.81 1 29.45 ? C ASN 429 A 1 +ATOM 3268 O O ASN 429 . . A 1 10.538 82.806 69.149 1 31.59 ? O ASN 429 A 1 +ATOM 3269 C CB ASN 429 . . A 1 11.36 85.021 67.566 1 27.84 ? CB ASN 429 A 1 +ATOM 3270 C CG ASN 429 . . A 1 11.162 84.534 66.142 1 30.89 ? CG ASN 429 A 1 +ATOM 3271 O OD1 ASN 429 . . A 1 11.689 83.507 65.72 1 28.88 ? OD1 ASN 429 A 1 +ATOM 3272 N ND2 ASN 429 . . A 1 10.414 85.321 65.38 1 31.96 ? ND2 ASN 429 A 1 +ATOM 3273 N N LEU 430 . . A 1 12.494 81.755 68.801 1 27.22 ? N LEU 430 A 1 +ATOM 3274 C CA LEU 430 . . A 1 11.872 80.491 69.183 1 24.25 ? CA LEU 430 A 1 +ATOM 3275 C C LEU 430 . . A 1 11.33 80.608 70.604 1 25.62 ? C LEU 430 A 1 +ATOM 3276 O O LEU 430 . . A 1 12.05 81.102 71.463 1 28.75 ? O LEU 430 A 1 +ATOM 3277 C CB LEU 430 . . A 1 12.928 79.358 69.116 1 22.89 ? CB LEU 430 A 1 +ATOM 3278 C CG LEU 430 . . A 1 12.497 78.024 68.491 1 21.01 ? CG LEU 430 A 1 +ATOM 3279 C CD1 LEU 430 . . A 1 11.098 77.558 68.878 1 25.25 ? CD1 LEU 430 A 1 +ATOM 3280 C CD2 LEU 430 . . A 1 12.61 78.064 66.978 1 32.12 ? CD2 LEU 430 A 1 +ATOM 3281 N N VAL 431 . . A 1 10.083 80.155 70.846 1 24.53 ? N VAL 431 A 1 +ATOM 3282 C CA VAL 431 . . A 1 9.55 80.22 72.222 1 23.47 ? CA VAL 431 A 1 +ATOM 3283 C C VAL 431 . . A 1 9.752 78.924 73.018 1 20.42 ? C VAL 431 A 1 +ATOM 3284 O O VAL 431 . . A 1 9.338 78.79 74.157 1 22.54 ? O VAL 431 A 1 +ATOM 3285 C CB VAL 431 . . A 1 8.045 80.571 72.22 1 20.23 ? CB VAL 431 A 1 +ATOM 3286 C CG1 VAL 431 . . A 1 7.851 81.943 71.578 1 24.35 ? CG1 VAL 431 A 1 +ATOM 3287 C CG2 VAL 431 . . A 1 7.178 79.519 71.508 1 17.82 ? CG2 VAL 431 A 1 +ATOM 3288 N N TRP 432 . . A 1 10.322 77.925 72.377 1 16.34 ? N TRP 432 A 1 +ATOM 3289 C CA TRP 432 . . A 1 10.549 76.664 73.056 1 14.4 ? CA TRP 432 A 1 +ATOM 3290 C C TRP 432 . . A 1 11.928 76.825 73.709 1 13.99 ? C TRP 432 A 1 +ATOM 3291 O O TRP 432 . . A 1 12.698 77.677 73.29 1 13.34 ? O TRP 432 A 1 +ATOM 3292 C CB TRP 432 . . A 1 10.491 75.491 72.05 1 11.71 ? CB TRP 432 A 1 +ATOM 3293 C CG TRP 432 . . A 1 9.087 75.215 71.549 1 13.78 ? CG TRP 432 A 1 +ATOM 3294 C CD1 TRP 432 . . A 1 8.494 75.696 70.352 1 14.89 ? CD1 TRP 432 A 1 +ATOM 3295 C CD2 TRP 432 . . A 1 8.113 74.417 72.184 1 15.44 ? CD2 TRP 432 A 1 +ATOM 3296 N NE1 TRP 432 . . A 1 7.217 75.23 70.222 1 13.83 ? NE1 TRP 432 A 1 +ATOM 3297 C CE2 TRP 432 . . A 1 6.919 74.434 71.305 1 16.22 ? CE2 TRP 432 A 1 +ATOM 3298 C CE3 TRP 432 . . A 1 8.058 73.711 73.388 1 16.05 ? CE3 TRP 432 A 1 +ATOM 3299 C CZ2 TRP 432 . . A 1 5.771 73.727 71.707 1 14.52 ? CZ2 TRP 432 A 1 +ATOM 3300 C CZ3 TRP 432 . . A 1 6.884 73.027 73.752 1 15.01 ? CZ3 TRP 432 A 1 +ATOM 3301 C CH2 TRP 432 . . A 1 5.757 73.028 72.921 1 12.98 ? CH2 TRP 432 A 1 +ATOM 3302 N N PRO 433 . . A 1 12.245 76.018 74.743 1 12.67 ? N PRO 433 A 1 +ATOM 3303 C CA PRO 433 . . A 1 13.523 76.153 75.404 1 9.19 ? CA PRO 433 A 1 +ATOM 3304 C C PRO 433 . . A 1 14.678 75.802 74.534 1 12.11 ? C PRO 433 A 1 +ATOM 3305 O O PRO 433 . . A 1 14.623 74.982 73.635 1 21.23 ? O PRO 433 A 1 +ATOM 3306 C CB PRO 433 . . A 1 13.459 75.154 76.556 1 8.32 ? CB PRO 433 A 1 +ATOM 3307 C CG PRO 433 . . A 1 12.309 74.202 76.229 1 4.9 ? CG PRO 433 A 1 +ATOM 3308 C CD PRO 433 . . A 1 11.37 75.011 75.342 1 9.63 ? CD PRO 433 A 1 +ATOM 3309 N N GLU 434 . . A 1 15.797 76.398 74.91 1 15.38 ? N GLU 434 A 1 +ATOM 3310 C CA GLU 434 . . A 1 17.052 76.209 74.207 1 14.21 ? CA GLU 434 A 1 +ATOM 3311 C C GLU 434 . . A 1 17.471 74.746 74.132 1 13.83 ? C GLU 434 A 1 +ATOM 3312 O O GLU 434 . . A 1 18.152 74.354 73.203 1 17.17 ? O GLU 434 A 1 +ATOM 3313 C CB GLU 434 . . A 1 18.131 77.082 74.901 1 12.25 ? CB GLU 434 A 1 +ATOM 3314 C CG GLU 434 . . A 1 19.471 77.25 74.154 1 20.68 ? CG GLU 434 A 1 +ATOM 3315 N N TRP 435 . . A 1 17.062 73.93 75.109 1 13.6 ? N TRP 435 A 1 +ATOM 3316 C CA TRP 435 . . A 1 17.525 72.544 75.044 1 13.74 ? CA TRP 435 A 1 +ATOM 3317 C C TRP 435 . . A 1 16.939 71.785 73.877 1 16.4 ? C TRP 435 A 1 +ATOM 3318 O O TRP 435 . . A 1 17.517 70.819 73.4 1 23.41 ? O TRP 435 A 1 +ATOM 3319 C CB TRP 435 . . A 1 17.391 71.777 76.402 1 13.33 ? CB TRP 435 A 1 +ATOM 3320 C CG TRP 435 . . A 1 15.962 71.442 76.812 1 7.61 ? CG TRP 435 A 1 +ATOM 3321 C CD1 TRP 435 . . A 1 15.117 72.204 77.65 1 5.44 ? CD1 TRP 435 A 1 +ATOM 3322 C CD2 TRP 435 . . A 1 15.215 70.325 76.407 1 5.75 ? CD2 TRP 435 A 1 +ATOM 3323 N NE1 TRP 435 . . A 1 13.895 71.623 77.769 1 2 ? NE1 TRP 435 A 1 +ATOM 3324 C CE2 TRP 435 . . A 1 13.876 70.476 77.028 1 4 ? CE2 TRP 435 A 1 +ATOM 3325 C CE3 TRP 435 . . A 1 15.492 69.206 75.613 1 5.4 ? CE3 TRP 435 A 1 +ATOM 3326 C CZ2 TRP 435 . . A 1 12.889 69.511 76.783 1 5.82 ? CZ2 TRP 435 A 1 +ATOM 3327 C CZ3 TRP 435 . . A 1 14.484 68.25 75.403 1 9.91 ? CZ3 TRP 435 A 1 +ATOM 3328 C CH2 TRP 435 . . A 1 13.197 68.405 75.967 1 8.73 ? CH2 TRP 435 A 1 +ATOM 3329 N N MET 436 . . A 1 15.758 72.216 73.436 1 16.03 ? N MET 436 A 1 +ATOM 3330 C CA MET 436 . . A 1 15.126 71.534 72.318 1 17.89 ? CA MET 436 A 1 +ATOM 3331 C C MET 436 . . A 1 15.859 71.83 70.984 1 20.1 ? C MET 436 A 1 +ATOM 3332 O O MET 436 . . A 1 15.715 71.137 69.985 1 20.8 ? O MET 436 A 1 +ATOM 3333 C CB MET 436 . . A 1 13.632 71.873 72.286 1 14.73 ? CB MET 436 A 1 +ATOM 3334 C CG MET 436 . . A 1 12.913 71.395 73.543 1 10.31 ? CG MET 436 A 1 +ATOM 3335 S SD MET 436 . . A 1 11.19 71.974 73.524 1 13.56 ? SD MET 436 A 1 +ATOM 3336 C CE MET 436 . . A 1 10.487 70.82 72.309 1 13.12 ? CE MET 436 A 1 +ATOM 3337 N N GLY 437 . . A 1 16.66 72.895 70.964 1 20.64 ? N GLY 437 A 1 +ATOM 3338 C CA GLY 437 . . A 1 17.403 73.168 69.739 1 18.75 ? CA GLY 437 A 1 +ATOM 3339 C C GLY 437 . . A 1 16.552 73.492 68.521 1 17.03 ? C GLY 437 A 1 +ATOM 3340 O O GLY 437 . . A 1 15.594 74.256 68.593 1 18.08 ? O GLY 437 A 1 +ATOM 3341 N N VAL 438 . . A 1 16.977 72.905 67.382 1 12.62 ? N VAL 438 A 1 +ATOM 3342 C CA VAL 438 . . A 1 16.33 73.055 66.081 1 9.94 ? CA VAL 438 A 1 +ATOM 3343 C C VAL 438 . . A 1 15.27 71.965 66.028 1 6.84 ? C VAL 438 A 1 +ATOM 3344 O O VAL 438 . . A 1 15.538 70.83 65.653 1 2 ? O VAL 438 A 1 +ATOM 3345 C CB VAL 438 . . A 1 17.385 72.902 64.976 1 6.49 ? CB VAL 438 A 1 +ATOM 3346 C CG1 VAL 438 . . A 1 16.813 73.247 63.604 1 12.47 ? CG1 VAL 438 A 1 +ATOM 3347 C CG2 VAL 438 . . A 1 18.622 73.766 65.262 1 4.15 ? CG2 VAL 438 A 1 +ATOM 3348 N N ILE 439 . . A 1 14.062 72.371 66.379 1 8.21 ? N ILE 439 A 1 +ATOM 3349 C CA ILE 439 . . A 1 12.963 71.434 66.493 1 9.83 ? CA ILE 439 A 1 +ATOM 3350 C C ILE 439 . . A 1 12.315 70.981 65.199 1 12.68 ? C ILE 439 A 1 +ATOM 3351 O O ILE 439 . . A 1 12.24 71.645 64.166 1 17.5 ? O ILE 439 A 1 +ATOM 3352 C CB ILE 439 . . A 1 11.928 72.134 67.412 1 8.73 ? CB ILE 439 A 1 +ATOM 3353 C CG1 ILE 439 . . A 1 12.536 72.553 68.764 1 5.52 ? CG1 ILE 439 A 1 +ATOM 3354 C CG2 ILE 439 . . A 1 10.641 71.337 67.687 1 9.39 ? CG2 ILE 439 A 1 +ATOM 3355 C CD1 ILE 439 . . A 1 11.738 73.672 69.435 1 2 ? CD1 ILE 439 A 1 +ATOM 3356 N N HIS 440 . . A 1 11.787 69.767 65.315 1 10.68 ? N HIS 440 A 1 +ATOM 3357 C CA HIS 440 . . A 1 11.053 69.108 64.252 1 9.48 ? CA HIS 440 A 1 +ATOM 3358 C C HIS 440 . . A 1 9.911 70.051 63.934 1 9.31 ? C HIS 440 A 1 +ATOM 3359 O O HIS 440 . . A 1 9.208 70.462 64.829 1 8.12 ? O HIS 440 A 1 +ATOM 3360 C CB HIS 440 . . A 1 10.55 67.777 64.839 1 8.57 ? CB HIS 440 A 1 +ATOM 3361 C CG HIS 440 . . A 1 9.657 66.946 63.948 1 7.99 ? CG HIS 440 A 1 +ATOM 3362 N ND1 HIS 440 . . A 1 10.086 66.014 63.073 1 6.63 ? ND1 HIS 440 A 1 +ATOM 3363 C CD2 HIS 440 . . A 1 8.24 66.895 63.984 1 9.96 ? CD2 HIS 440 A 1 +ATOM 3364 C CE1 HIS 440 . . A 1 8.975 65.395 62.6 1 12.43 ? CE1 HIS 440 A 1 +ATOM 3365 N NE2 HIS 440 . . A 1 7.845 65.912 63.137 1 10.39 ? NE2 HIS 440 A 1 +ATOM 3366 N N GLY 441 . . A 1 9.782 70.443 62.665 1 12.04 ? N GLY 441 A 1 +ATOM 3367 C CA GLY 441 . . A 1 8.713 71.358 62.293 1 8.35 ? CA GLY 441 A 1 +ATOM 3368 C C GLY 441 . . A 1 9.18 72.772 62.174 1 8.92 ? C GLY 441 A 1 +ATOM 3369 O O GLY 441 . . A 1 8.565 73.583 61.507 1 9.77 ? O GLY 441 A 1 +ATOM 3370 N N TYR 442 . . A 1 10.356 73.065 62.706 1 8.66 ? N TYR 442 A 1 +ATOM 3371 C CA TYR 442 . . A 1 10.755 74.475 62.684 1 11.82 ? CA TYR 442 A 1 +ATOM 3372 C C TYR 442 . . A 1 11.364 75.119 61.445 1 13.54 ? C TYR 442 A 1 +ATOM 3373 O O TYR 442 . . A 1 11.672 76.305 61.457 1 20.09 ? O TYR 442 A 1 +ATOM 3374 C CB TYR 442 . . A 1 11.369 74.815 64.079 1 11.19 ? CB TYR 442 A 1 +ATOM 3375 C CG TYR 442 . . A 1 10.204 74.997 65.047 1 7.21 ? CG TYR 442 A 1 +ATOM 3376 C CD1 TYR 442 . . A 1 9.504 73.889 65.567 1 5.33 ? CD1 TYR 442 A 1 +ATOM 3377 C CD2 TYR 442 . . A 1 9.715 76.291 65.292 1 2 ? CD2 TYR 442 A 1 +ATOM 3378 C CE1 TYR 442 . . A 1 8.32 74.07 66.286 1 2 ? CE1 TYR 442 A 1 +ATOM 3379 C CE2 TYR 442 . . A 1 8.531 76.476 66.001 1 2 ? CE2 TYR 442 A 1 +ATOM 3380 C CZ TYR 442 . . A 1 7.836 75.369 66.49 1 4.13 ? CZ TYR 442 A 1 +ATOM 3381 O OH TYR 442 . . A 1 6.66 75.593 67.164 1 13.11 ? OH TYR 442 A 1 +ATOM 3382 N N GLU 443 . . A 1 11.519 74.358 60.342 1 15.74 ? N GLU 443 A 1 +ATOM 3383 C CA GLU 443 . . A 1 12.072 74.942 59.086 1 7.98 ? CA GLU 443 A 1 +ATOM 3384 C C GLU 443 . . A 1 10.944 75.473 58.23 1 5.61 ? C GLU 443 A 1 +ATOM 3385 O O GLU 443 . . A 1 11.091 76.316 57.364 1 7.19 ? O GLU 443 A 1 +ATOM 3386 C CB GLU 443 . . A 1 12.889 73.972 58.219 1 9.6 ? CB GLU 443 A 1 +ATOM 3387 C CG GLU 443 . . A 1 12.093 72.991 57.312 1 7.55 ? CG GLU 443 A 1 +ATOM 3388 C CD GLU 443 . . A 1 11.196 72.053 58.088 1 6.46 ? CD GLU 443 A 1 +ATOM 3389 O OE1 GLU 443 . . A 1 11.514 71.797 59.235 1 8.12 ? OE1 GLU 443 A 1 +ATOM 3390 O OE2 GLU 443 . . A 1 10.196 71.582 57.551 1 6.22 ? OE2 GLU 443 A 1 +ATOM 3391 N N ILE 444 . . A 1 9.757 74.944 58.494 1 3.67 ? N ILE 444 A 1 +ATOM 3392 C CA ILE 444 . . A 1 8.602 75.371 57.745 1 2.76 ? CA ILE 444 A 1 +ATOM 3393 C C ILE 444 . . A 1 8.391 76.89 57.829 1 6.05 ? C ILE 444 A 1 +ATOM 3394 O O ILE 444 . . A 1 7.849 77.504 56.938 1 9.34 ? O ILE 444 A 1 +ATOM 3395 C CB ILE 444 . . A 1 7.359 74.564 58.209 1 2 ? CB ILE 444 A 1 +ATOM 3396 C CG1 ILE 444 . . A 1 7.604 73.028 58.241 1 5.67 ? CG1 ILE 444 A 1 +ATOM 3397 C CG2 ILE 444 . . A 1 6.15 74.919 57.348 1 3.61 ? CG2 ILE 444 A 1 +ATOM 3398 C CD1 ILE 444 . . A 1 6.379 72.173 58.631 1 2 ? CD1 ILE 444 A 1 +ATOM 3399 N N GLU 445 . . A 1 8.84 77.54 58.906 1 16.65 ? N GLU 445 A 1 +ATOM 3400 C CA GLU 445 . . A 1 8.601 78.992 58.98 1 17.1 ? CA GLU 445 A 1 +ATOM 3401 C C GLU 445 . . A 1 9.356 79.694 57.924 1 14.25 ? C GLU 445 A 1 +ATOM 3402 O O GLU 445 . . A 1 8.937 80.729 57.438 1 8.96 ? O GLU 445 A 1 +ATOM 3403 C CB GLU 445 . . A 1 9.088 79.671 60.292 1 24.89 ? CB GLU 445 A 1 +ATOM 3404 C CG GLU 445 . . A 1 8.687 78.932 61.563 1 25.68 ? CG GLU 445 A 1 +ATOM 3405 C CD GLU 445 . . A 1 9.181 79.521 62.848 1 31.64 ? CD GLU 445 A 1 +ATOM 3406 O OE1 GLU 445 . . A 1 10.321 79.998 62.881 1 28.92 ? OE1 GLU 445 A 1 +ATOM 3407 O OE2 GLU 445 . . A 1 8.421 79.476 63.819 1 35.91 ? OE2 GLU 445 A 1 +ATOM 3408 N N PHE 446 . . A 1 10.512 79.084 57.639 1 14.43 ? N PHE 446 A 1 +ATOM 3409 C CA PHE 446 . . A 1 11.436 79.601 56.65 1 17.47 ? CA PHE 446 A 1 +ATOM 3410 C C PHE 446 . . A 1 10.935 79.364 55.231 1 17.92 ? C PHE 446 A 1 +ATOM 3411 O O PHE 446 . . A 1 10.854 80.285 54.429 1 17.24 ? O PHE 446 A 1 +ATOM 3412 C CB PHE 446 . . A 1 12.841 79.006 56.892 1 14.25 ? CB PHE 446 A 1 +ATOM 3413 C CG PHE 446 . . A 1 13.479 79.696 58.073 1 18.46 ? CG PHE 446 A 1 +ATOM 3414 C CD1 PHE 446 . . A 1 13.109 79.356 59.382 1 21.45 ? CD1 PHE 446 A 1 +ATOM 3415 C CD2 PHE 446 . . A 1 14.397 80.744 57.865 1 17.73 ? CD2 PHE 446 A 1 +ATOM 3416 C CE1 PHE 446 . . A 1 13.632 80.089 60.462 1 25.35 ? CE1 PHE 446 A 1 +ATOM 3417 C CE2 PHE 446 . . A 1 14.922 81.463 58.941 1 16.63 ? CE2 PHE 446 A 1 +ATOM 3418 C CZ PHE 446 . . A 1 14.533 81.146 60.246 1 17.92 ? CZ PHE 446 A 1 +ATOM 3419 N N VAL 447 . . A 1 10.587 78.103 54.953 1 15.23 ? N VAL 447 A 1 +ATOM 3420 C CA VAL 447 . . A 1 10.097 77.751 53.637 1 11.34 ? CA VAL 447 A 1 +ATOM 3421 C C VAL 447 . . A 1 8.867 78.578 53.236 1 13.43 ? C VAL 447 A 1 +ATOM 3422 O O VAL 447 . . A 1 8.675 78.844 52.058 1 18.88 ? O VAL 447 A 1 +ATOM 3423 C CB VAL 447 . . A 1 9.843 76.228 53.599 1 9.38 ? CB VAL 447 A 1 +ATOM 3424 C CG1 VAL 447 . . A 1 9.027 75.75 52.392 1 4.32 ? CG1 VAL 447 A 1 +ATOM 3425 C CG2 VAL 447 . . A 1 11.168 75.435 53.691 1 3.9 ? CG2 VAL 447 A 1 +ATOM 3426 N N PHE 448 . . A 1 8.042 78.981 54.207 1 4.53 ? N PHE 448 A 1 +ATOM 3427 C CA PHE 448 . . A 1 6.869 79.755 53.84 1 3.52 ? CA PHE 448 A 1 +ATOM 3428 C C PHE 448 . . A 1 7.071 81.254 53.952 1 7.21 ? C PHE 448 A 1 +ATOM 3429 O O PHE 448 . . A 1 6.141 82.041 53.829 1 10.21 ? O PHE 448 A 1 +ATOM 3430 C CB PHE 448 . . A 1 5.622 79.283 54.591 1 3.13 ? CB PHE 448 A 1 +ATOM 3431 C CG PHE 448 . . A 1 4.956 78.088 53.952 1 3.83 ? CG PHE 448 A 1 +ATOM 3432 C CD1 PHE 448 . . A 1 5.567 76.827 53.991 1 2.43 ? CD1 PHE 448 A 1 +ATOM 3433 C CD2 PHE 448 . . A 1 3.705 78.237 53.307 1 6.22 ? CD2 PHE 448 A 1 +ATOM 3434 C CE1 PHE 448 . . A 1 4.929 75.722 53.393 1 9.88 ? CE1 PHE 448 A 1 +ATOM 3435 C CE2 PHE 448 . . A 1 3.07 77.138 52.709 1 5.13 ? CE2 PHE 448 A 1 +ATOM 3436 C CZ PHE 448 . . A 1 3.685 75.876 52.751 1 8.76 ? CZ PHE 448 A 1 +ATOM 3437 N N GLY 449 . . A 1 8.302 81.669 54.212 1 12.35 ? N GLY 449 A 1 +ATOM 3438 C CA GLY 449 . . A 1 8.601 83.113 54.262 1 19.06 ? CA GLY 449 A 1 +ATOM 3439 C C GLY 449 . . A 1 8.035 83.979 55.378 1 22.16 ? C GLY 449 A 1 +ATOM 3440 O O GLY 449 . . A 1 7.885 85.192 55.224 1 23.38 ? O GLY 449 A 1 +ATOM 3441 N N LEU 450 . . A 1 7.735 83.363 56.538 1 23.86 ? N LEU 450 A 1 +ATOM 3442 C CA LEU 450 . . A 1 7.219 84.19 57.634 1 20.32 ? CA LEU 450 A 1 +ATOM 3443 C C LEU 450 . . A 1 8.256 85.211 58.121 1 17.7 ? C LEU 450 A 1 +ATOM 3444 O O LEU 450 . . A 1 7.883 86.31 58.488 1 16.68 ? O LEU 450 A 1 +ATOM 3445 C CB LEU 450 . . A 1 6.676 83.381 58.824 1 18.87 ? CB LEU 450 A 1 +ATOM 3446 C CG LEU 450 . . A 1 5.459 82.475 58.544 1 19.02 ? CG LEU 450 A 1 +ATOM 3447 C CD1 LEU 450 . . A 1 4.479 82.48 59.723 1 23.46 ? CD1 LEU 450 A 1 +ATOM 3448 C CD2 LEU 450 . . A 1 4.688 82.824 57.271 1 23.14 ? CD2 LEU 450 A 1 +ATOM 3449 N N PRO 451 . . A 1 9.564 84.906 58.111 1 16.06 ? N PRO 451 A 1 +ATOM 3450 C CA PRO 451 . . A 1 10.523 85.973 58.367 1 20.2 ? CA PRO 451 A 1 +ATOM 3451 C C PRO 451 . . A 1 10.389 87.265 57.568 1 25.32 ? C PRO 451 A 1 +ATOM 3452 O O PRO 451 . . A 1 10.988 88.278 57.919 1 30.73 ? O PRO 451 A 1 +ATOM 3453 C CB PRO 451 . . A 1 11.898 85.312 58.167 1 16.42 ? CB PRO 451 A 1 +ATOM 3454 C CG PRO 451 . . A 1 11.663 83.804 58.374 1 13.92 ? CG PRO 451 A 1 +ATOM 3455 C CD PRO 451 . . A 1 10.182 83.586 58.012 1 15.33 ? CD PRO 451 A 1 +ATOM 3456 N N LEU 452 . . A 1 9.636 87.218 56.456 1 30.14 ? N LEU 452 A 1 +ATOM 3457 C CA LEU 452 . . A 1 9.477 88.436 55.666 1 31.12 ? CA LEU 452 A 1 +ATOM 3458 C C LEU 452 . . A 1 8.561 89.402 56.374 1 32.76 ? C LEU 452 A 1 +ATOM 3459 O O LEU 452 . . A 1 8.601 90.608 56.162 1 34.65 ? O LEU 452 A 1 +ATOM 3460 C CB LEU 452 . . A 1 8.945 88.149 54.262 1 28.34 ? CB LEU 452 A 1 +ATOM 3461 C CG LEU 452 . . A 1 9.855 87.242 53.419 1 25.04 ? CG LEU 452 A 1 +ATOM 3462 C CD1 LEU 452 . . A 1 9.64 87.572 51.947 1 29.84 ? CD1 LEU 452 A 1 +ATOM 3463 C CD2 LEU 452 . . A 1 11.347 87.363 53.738 1 21.13 ? CD2 LEU 452 A 1 +ATOM 3464 N N VAL 453 . . A 1 7.715 88.831 57.23 1 33.5 ? N VAL 453 A 1 +ATOM 3465 C CA VAL 453 . . A 1 6.785 89.616 58.003 1 35.18 ? CA VAL 453 A 1 +ATOM 3466 C C VAL 453 . . A 1 7.585 90.214 59.143 1 37.58 ? C VAL 453 A 1 +ATOM 3467 O O VAL 453 . . A 1 7.915 89.555 60.116 1 41.33 ? O VAL 453 A 1 +ATOM 3468 C CB VAL 453 . . A 1 5.67 88.683 58.497 1 33.52 ? CB VAL 453 A 1 +ATOM 3469 C CG1 VAL 453 . . A 1 4.555 89.448 59.213 1 36.53 ? CG1 VAL 453 A 1 +ATOM 3470 C CG2 VAL 453 . . A 1 5.056 87.869 57.338 1 35.81 ? CG2 VAL 453 A 1 +ATOM 3471 N N LYS 454 . . A 1 7.877 91.503 59.035 1 42.92 ? N LYS 454 A 1 +ATOM 3472 C CA LYS 454 . . A 1 8.669 92.165 60.076 1 47.9 ? CA LYS 454 A 1 +ATOM 3473 C C LYS 454 . . A 1 8.02 92.125 61.467 1 47.66 ? C LYS 454 A 1 +ATOM 3474 O O LYS 454 . . A 1 8.691 92.052 62.489 1 47.79 ? O LYS 454 A 1 +ATOM 3475 C CB LYS 454 . . A 1 9.056 93.591 59.627 1 51.97 ? CB LYS 454 A 1 +ATOM 3476 C CG LYS 454 . . A 1 9.627 93.678 58.174 1 61.84 ? CG LYS 454 A 1 +ATOM 3477 C CD LYS 454 . . A 1 11.067 93.135 57.962 1 65.28 ? CD LYS 454 A 1 +ATOM 3478 C CE LYS 454 . . A 1 11.212 91.6 57.792 1 69.26 ? CE LYS 454 A 1 +ATOM 3479 N NZ LYS 454 . . A 1 12.612 91.209 57.883 1 74.01 ? NZ LYS 454 A 1 +ATOM 3480 N N GLU 455 . . A 1 6.675 92.124 61.481 1 45.37 ? N GLU 455 A 1 +ATOM 3481 C CA GLU 455 . . A 1 5.96 92.071 62.763 1 38.25 ? CA GLU 455 A 1 +ATOM 3482 C C GLU 455 . . A 1 6.248 90.803 63.54 1 35.88 ? C GLU 455 A 1 +ATOM 3483 O O GLU 455 . . A 1 5.957 90.725 64.719 1 37.11 ? O GLU 455 A 1 +ATOM 3484 C CB GLU 455 . . A 1 4.42 92.127 62.657 1 37.95 ? CB GLU 455 A 1 +ATOM 3485 N N LEU 456 . . A 1 6.81 89.791 62.886 1 31.87 ? N LEU 456 A 1 +ATOM 3486 C CA LEU 456 . . A 1 7.071 88.568 63.621 1 30.7 ? CA LEU 456 A 1 +ATOM 3487 C C LEU 456 . . A 1 8.401 88.558 64.368 1 32.17 ? C LEU 456 A 1 +ATOM 3488 O O LEU 456 . . A 1 8.719 87.593 65.061 1 30.98 ? O LEU 456 A 1 +ATOM 3489 C CB LEU 456 . . A 1 6.879 87.37 62.708 1 30.84 ? CB LEU 456 A 1 +ATOM 3490 C CG LEU 456 . . A 1 5.485 87.371 62.068 1 31.62 ? CG LEU 456 A 1 +ATOM 3491 C CD1 LEU 456 . . A 1 5.31 86.161 61.149 1 36.79 ? CD1 LEU 456 A 1 +ATOM 3492 C CD2 LEU 456 . . A 1 4.328 87.46 63.076 1 27.13 ? CD2 LEU 456 A 1 +ATOM 3493 N N ASN 457 . . A 1 9.185 89.624 64.218 1 31.39 ? N ASN 457 A 1 +ATOM 3494 C CA ASN 457 . . A 1 10.453 89.752 64.958 1 35.14 ? CA ASN 457 A 1 +ATOM 3495 C C ASN 457 . . A 1 11.59 88.804 64.619 1 32.17 ? C ASN 457 A 1 +ATOM 3496 O O ASN 457 . . A 1 12.171 88.197 65.517 1 32 ? O ASN 457 A 1 +ATOM 3497 C CB ASN 457 . . A 1 10.273 89.624 66.508 1 43.52 ? CB ASN 457 A 1 +ATOM 3498 C CG ASN 457 . . A 1 9.348 90.65 67.137 1 49.23 ? CG ASN 457 A 1 +ATOM 3499 O OD1 ASN 457 . . A 1 9.71 91.802 67.325 1 54.33 ? OD1 ASN 457 A 1 +ATOM 3500 N ND2 ASN 457 . . A 1 8.133 90.219 67.469 1 51.9 ? ND2 ASN 457 A 1 +ATOM 3501 N N TYR 458 . . A 1 11.913 88.633 63.338 1 28.42 ? N TYR 458 A 1 +ATOM 3502 C CA TYR 458 . . A 1 13.045 87.738 63.059 1 25.04 ? CA TYR 458 A 1 +ATOM 3503 C C TYR 458 . . A 1 14.182 88.661 62.723 1 24.07 ? C TYR 458 A 1 +ATOM 3504 O O TYR 458 . . A 1 13.974 89.827 62.42 1 25.65 ? O TYR 458 A 1 +ATOM 3505 C CB TYR 458 . . A 1 12.794 86.785 61.881 1 20 ? CB TYR 458 A 1 +ATOM 3506 C CG TYR 458 . . A 1 11.774 85.705 62.144 1 15.51 ? CG TYR 458 A 1 +ATOM 3507 C CD1 TYR 458 . . A 1 10.402 85.989 61.988 1 15.4 ? CD1 TYR 458 A 1 +ATOM 3508 C CD2 TYR 458 . . A 1 12.175 84.39 62.453 1 12.32 ? CD2 TYR 458 A 1 +ATOM 3509 C CE1 TYR 458 . . A 1 9.447 84.962 62.057 1 11.67 ? CE1 TYR 458 A 1 +ATOM 3510 C CE2 TYR 458 . . A 1 11.221 83.364 62.531 1 12.05 ? CE2 TYR 458 A 1 +ATOM 3511 C CZ TYR 458 . . A 1 9.861 83.644 62.307 1 12.36 ? CZ TYR 458 A 1 +ATOM 3512 O OH TYR 458 . . A 1 8.926 82.623 62.289 1 16.52 ? OH TYR 458 A 1 +ATOM 3513 N N THR 459 . . A 1 15.397 88.146 62.764 1 25.51 ? N THR 459 A 1 +ATOM 3514 C CA THR 459 . . A 1 16.491 89.042 62.421 1 30.49 ? CA THR 459 A 1 +ATOM 3515 C C THR 459 . . A 1 16.556 89.189 60.907 1 34.22 ? C THR 459 A 1 +ATOM 3516 O O THR 459 . . A 1 16.074 88.354 60.138 1 38.2 ? O THR 459 A 1 +ATOM 3517 C CB THR 459 . . A 1 17.828 88.505 62.978 1 31.63 ? CB THR 459 A 1 +ATOM 3518 O OG1 THR 459 . . A 1 18.006 87.127 62.639 1 32.54 ? OG1 THR 459 A 1 +ATOM 3519 C CG2 THR 459 . . A 1 17.895 88.568 64.503 1 37.27 ? CG2 THR 459 A 1 +ATOM 3520 N N ALA 460 . . A 1 17.256 90.25 60.485 1 35.28 ? N ALA 460 A 1 +ATOM 3521 C CA ALA 460 . . A 1 17.392 90.463 59.049 1 31.19 ? CA ALA 460 A 1 +ATOM 3522 C C ALA 460 . . A 1 18.147 89.318 58.423 1 31 ? C ALA 460 A 1 +ATOM 3523 O O ALA 460 . . A 1 17.868 88.901 57.311 1 36.66 ? O ALA 460 A 1 +ATOM 3524 C CB ALA 460 . . A 1 18.138 91.756 58.74 1 31.44 ? CB ALA 460 A 1 +ATOM 3525 N N GLU 461 . . A 1 19.12 88.794 59.182 1 26.39 ? N GLU 461 A 1 +ATOM 3526 C CA GLU 461 . . A 1 19.89 87.674 58.654 1 23.78 ? CA GLU 461 A 1 +ATOM 3527 C C GLU 461 . . A 1 18.974 86.461 58.393 1 23.06 ? C GLU 461 A 1 +ATOM 3528 O O GLU 461 . . A 1 19.246 85.601 57.572 1 26.98 ? O GLU 461 A 1 +ATOM 3529 C CB GLU 461 . . A 1 21.064 87.271 59.585 1 25.76 ? CB GLU 461 A 1 +ATOM 3530 C CG GLU 461 . . A 1 21.864 88.405 60.275 1 31.33 ? CG GLU 461 A 1 +ATOM 3531 N N GLU 462 . . A 1 17.866 86.374 59.133 1 22.8 ? N GLU 462 A 1 +ATOM 3532 C CA GLU 462 . . A 1 16.933 85.262 58.938 1 22.36 ? CA GLU 462 A 1 +ATOM 3533 C C GLU 462 . . A 1 16.067 85.557 57.749 1 23.82 ? C GLU 462 A 1 +ATOM 3534 O O GLU 462 . . A 1 15.62 84.657 57.053 1 26.24 ? O GLU 462 A 1 +ATOM 3535 C CB GLU 462 . . A 1 16.067 85.018 60.182 1 19.23 ? CB GLU 462 A 1 +ATOM 3536 C CG GLU 462 . . A 1 16.911 84.411 61.317 1 16.08 ? CG GLU 462 A 1 +ATOM 3537 C CD GLU 462 . . A 1 16.242 84.428 62.681 1 16.57 ? CD GLU 462 A 1 +ATOM 3538 O OE1 GLU 462 . . A 1 15.343 85.249 62.9 1 10.48 ? OE1 GLU 462 A 1 +ATOM 3539 O OE2 GLU 462 . . A 1 16.636 83.613 63.518 1 6.73 ? OE2 GLU 462 A 1 +ATOM 3540 N N GLU 463 . . A 1 15.804 86.853 57.519 1 26.21 ? N GLU 463 A 1 +ATOM 3541 C CA GLU 463 . . A 1 15 87.209 56.343 1 27.74 ? CA GLU 463 A 1 +ATOM 3542 C C GLU 463 . . A 1 15.748 86.741 55.097 1 24.31 ? C GLU 463 A 1 +ATOM 3543 O O GLU 463 . . A 1 15.214 86.181 54.152 1 23.26 ? O GLU 463 A 1 +ATOM 3544 C CB GLU 463 . . A 1 14.741 88.72 56.214 1 33.13 ? CB GLU 463 A 1 +ATOM 3545 C CG GLU 463 . . A 1 13.667 88.991 55.142 1 43.02 ? CG GLU 463 A 1 +ATOM 3546 C CD GLU 463 . . A 1 13.678 90.403 54.567 1 49.44 ? CD GLU 463 A 1 +ATOM 3547 O OE1 GLU 463 . . A 1 14.724 90.82 54.065 1 55.82 ? OE1 GLU 463 A 1 +ATOM 3548 O OE2 GLU 463 . . A 1 12.639 91.071 54.602 1 52.07 ? OE2 GLU 463 A 1 +ATOM 3549 N N ALA 464 . . A 1 17.053 86.988 55.147 1 21.45 ? N ALA 464 A 1 +ATOM 3550 C CA ALA 464 . . A 1 17.904 86.571 54.059 1 17.4 ? CA ALA 464 A 1 +ATOM 3551 C C ALA 464 . . A 1 17.806 85.072 53.872 1 16.84 ? C ALA 464 A 1 +ATOM 3552 O O ALA 464 . . A 1 17.625 84.578 52.772 1 23.96 ? O ALA 464 A 1 +ATOM 3553 C CB ALA 464 . . A 1 19.359 86.947 54.361 1 18 ? CB ALA 464 A 1 +ATOM 3554 N N LEU 465 . . A 1 17.917 84.353 54.99 1 14.92 ? N LEU 465 A 1 +ATOM 3555 C CA LEU 465 . . A 1 17.84 82.901 54.957 1 11.99 ? CA LEU 465 A 1 +ATOM 3556 C C LEU 465 . . A 1 16.538 82.392 54.346 1 13.91 ? C LEU 465 A 1 +ATOM 3557 O O LEU 465 . . A 1 16.581 81.508 53.502 1 14.21 ? O LEU 465 A 1 +ATOM 3558 C CB LEU 465 . . A 1 18.063 82.291 56.357 1 10.67 ? CB LEU 465 A 1 +ATOM 3559 C CG LEU 465 . . A 1 18.192 80.753 56.381 1 11.62 ? CG LEU 465 A 1 +ATOM 3560 C CD1 LEU 465 . . A 1 19.344 80.255 55.509 1 19.35 ? CD1 LEU 465 A 1 +ATOM 3561 C CD2 LEU 465 . . A 1 18.403 80.203 57.788 1 11.16 ? CD2 LEU 465 A 1 +ATOM 3562 N N SER 466 . . A 1 15.367 82.933 54.737 1 12.62 ? N SER 466 A 1 +ATOM 3563 C CA SER 466 . . A 1 14.166 82.366 54.11 1 17.34 ? CA SER 466 A 1 +ATOM 3564 C C SER 466 . . A 1 14.102 82.694 52.637 1 22.63 ? C SER 466 A 1 +ATOM 3565 O O SER 466 . . A 1 13.545 81.933 51.858 1 26.36 ? O SER 466 A 1 +ATOM 3566 C CB SER 466 . . A 1 12.832 82.685 54.78 1 14.63 ? CB SER 466 A 1 +ATOM 3567 O OG SER 466 . . A 1 12.762 84.077 55.007 1 25.19 ? OG SER 466 A 1 +ATOM 3568 N N ARG 467 . . A 1 14.675 83.836 52.233 1 22.38 ? N ARG 467 A 1 +ATOM 3569 C CA ARG 467 . . A 1 14.612 84.09 50.803 1 20.89 ? CA ARG 467 A 1 +ATOM 3570 C C ARG 467 . . A 1 15.467 83.065 50.051 1 20.9 ? C ARG 467 A 1 +ATOM 3571 O O ARG 467 . . A 1 15.126 82.65 48.949 1 22.37 ? O ARG 467 A 1 +ATOM 3572 C CB ARG 467 . . A 1 15.008 85.515 50.486 1 20.62 ? CB ARG 467 A 1 +ATOM 3573 C CG ARG 467 . . A 1 14.021 86.543 51.059 1 24.03 ? CG ARG 467 A 1 +ATOM 3574 C CD ARG 467 . . A 1 14.477 87.965 50.698 1 29.71 ? CD ARG 467 A 1 +ATOM 3575 N NE ARG 467 . . A 1 13.686 88.998 51.343 1 34.93 ? NE ARG 467 A 1 +ATOM 3576 C CZ ARG 467 . . A 1 12.56 89.506 50.812 1 36.36 ? CZ ARG 467 A 1 +ATOM 3577 N NH1 ARG 467 . . A 1 12.048 89.034 49.678 1 36.65 ? NH1 ARG 467 A 1 +ATOM 3578 N NH2 ARG 467 . . A 1 11.944 90.507 51.441 1 40.08 ? NH2 ARG 467 A 1 +ATOM 3579 N N ARG 468 . . A 1 16.576 82.636 50.669 1 17.65 ? N ARG 468 A 1 +ATOM 3580 C CA ARG 468 . . A 1 17.387 81.648 49.973 1 19.11 ? CA ARG 468 A 1 +ATOM 3581 C C ARG 468 . . A 1 16.678 80.334 49.9 1 20.33 ? C ARG 468 A 1 +ATOM 3582 O O ARG 468 . . A 1 16.709 79.626 48.903 1 22.41 ? O ARG 468 A 1 +ATOM 3583 C CB ARG 468 . . A 1 18.738 81.36 50.64 1 18.67 ? CB ARG 468 A 1 +ATOM 3584 C CG ARG 468 . . A 1 19.467 82.632 51.088 1 28.44 ? CG ARG 468 A 1 +ATOM 3585 C CD ARG 468 . . A 1 21.002 82.519 51.106 1 34.04 ? CD ARG 468 A 1 +ATOM 3586 N NE ARG 468 . . A 1 21.519 81.658 52.167 1 40.98 ? NE ARG 468 A 1 +ATOM 3587 C CZ ARG 468 . . A 1 21.745 80.345 51.975 1 44.67 ? CZ ARG 468 A 1 +ATOM 3588 N NH1 ARG 468 . . A 1 21.341 79.745 50.866 1 46.16 ? NH1 ARG 468 A 1 +ATOM 3589 N NH2 ARG 468 . . A 1 22.383 79.621 52.895 1 46.32 ? NH2 ARG 468 A 1 +ATOM 3590 N N ILE 469 . . A 1 16.03 80.025 51.022 1 20.68 ? N ILE 469 A 1 +ATOM 3591 C CA ILE 469 . . A 1 15.311 78.769 51.105 1 19.33 ? CA ILE 469 A 1 +ATOM 3592 C C ILE 469 . . A 1 14.193 78.758 50.084 1 19.36 ? C ILE 469 A 1 +ATOM 3593 O O ILE 469 . . A 1 14.06 77.842 49.284 1 23.77 ? O ILE 469 A 1 +ATOM 3594 C CB ILE 469 . . A 1 14.783 78.529 52.537 1 17.87 ? CB ILE 469 A 1 +ATOM 3595 C CG1 ILE 469 . . A 1 15.877 78.713 53.626 1 17.95 ? CG1 ILE 469 A 1 +ATOM 3596 C CG2 ILE 469 . . A 1 14.077 77.177 52.658 1 17.95 ? CG2 ILE 469 A 1 +ATOM 3597 C CD1 ILE 469 . . A 1 16.398 77.436 54.273 1 10.76 ? CD1 ILE 469 A 1 +ATOM 3598 N N MET 470 . . A 1 13.39 79.821 50.11 1 16.41 ? N MET 470 A 1 +ATOM 3599 C CA MET 470 . . A 1 12.27 79.928 49.189 1 16.31 ? CA MET 470 A 1 +ATOM 3600 C C MET 470 . . A 1 12.703 79.892 47.736 1 16.06 ? C MET 470 A 1 +ATOM 3601 O O MET 470 . . A 1 11.992 79.431 46.852 1 13.24 ? O MET 470 A 1 +ATOM 3602 C CB MET 470 . . A 1 11.493 81.22 49.444 1 14.61 ? CB MET 470 A 1 +ATOM 3603 C CG MET 470 . . A 1 10.687 81.174 50.737 1 15.84 ? CG MET 470 A 1 +ATOM 3604 S SD MET 470 . . A 1 9.476 82.526 50.688 1 15.15 ? SD MET 470 A 1 +ATOM 3605 C CE MET 470 . . A 1 10.636 83.92 50.863 1 15.78 ? CE MET 470 A 1 +ATOM 3606 N N HIS 471 . . A 1 13.896 80.417 47.493 1 17.2 ? N HIS 471 A 1 +ATOM 3607 C CA HIS 471 . . A 1 14.352 80.401 46.118 1 21.69 ? CA HIS 471 A 1 +ATOM 3608 C C HIS 471 . . A 1 14.757 78.995 45.748 1 20.45 ? C HIS 471 A 1 +ATOM 3609 O O HIS 471 . . A 1 14.348 78.472 44.731 1 20.2 ? O HIS 471 A 1 +ATOM 3610 C CB HIS 471 . . A 1 15.475 81.429 45.913 1 29.47 ? CB HIS 471 A 1 +ATOM 3611 C CG HIS 471 . . A 1 15.657 81.781 44.446 1 33.27 ? CG HIS 471 A 1 +ATOM 3612 N ND1 HIS 471 . . A 1 14.668 82.211 43.634 1 33.46 ? ND1 HIS 471 A 1 +ATOM 3613 C CD2 HIS 471 . . A 1 16.854 81.743 43.693 1 34.65 ? CD2 HIS 471 A 1 +ATOM 3614 C CE1 HIS 471 . . A 1 15.227 82.43 42.433 1 37.54 ? CE1 HIS 471 A 1 +ATOM 3615 N NE2 HIS 471 . . A 1 16.548 82.159 42.446 1 37.05 ? NE2 HIS 471 A 1 +ATOM 3616 N N TYR 472 . . A 1 15.524 78.353 46.625 1 21.14 ? N TYR 472 A 1 +ATOM 3617 C CA TYR 472 . . A 1 15.949 76.982 46.342 1 19.71 ? CA TYR 472 A 1 +ATOM 3618 C C TYR 472 . . A 1 14.75 76.076 46.083 1 20.98 ? C TYR 472 A 1 +ATOM 3619 O O TYR 472 . . A 1 14.714 75.22 45.206 1 22.37 ? O TYR 472 A 1 +ATOM 3620 C CB TYR 472 . . A 1 16.667 76.379 47.569 1 20.34 ? CB TYR 472 A 1 +ATOM 3621 C CG TYR 472 . . A 1 18.07 76.843 47.86 1 23.95 ? CG TYR 472 A 1 +ATOM 3622 C CD1 TYR 472 . . A 1 18.992 77.017 46.826 1 24.9 ? CD1 TYR 472 A 1 +ATOM 3623 C CD2 TYR 472 . . A 1 18.484 77.038 49.186 1 26.94 ? CD2 TYR 472 A 1 +ATOM 3624 C CE1 TYR 472 . . A 1 20.319 77.345 47.103 1 26.1 ? CE1 TYR 472 A 1 +ATOM 3625 C CE2 TYR 472 . . A 1 19.814 77.368 49.468 1 30.01 ? CE2 TYR 472 A 1 +ATOM 3626 C CZ TYR 472 . . A 1 20.74 77.515 48.424 1 30.84 ? CZ TYR 472 A 1 +ATOM 3627 O OH TYR 472 . . A 1 22.066 77.823 48.69 1 36.97 ? OH TYR 472 A 1 +ATOM 3628 N N TRP 473 . . A 1 13.744 76.283 46.923 1 18.72 ? N TRP 473 A 1 +ATOM 3629 C CA TRP 473 . . A 1 12.55 75.483 46.804 1 20.3 ? CA TRP 473 A 1 +ATOM 3630 C C TRP 473 . . A 1 11.855 75.781 45.475 1 20.82 ? C TRP 473 A 1 +ATOM 3631 O O TRP 473 . . A 1 11.469 74.865 44.757 1 22.52 ? O TRP 473 A 1 +ATOM 3632 C CB TRP 473 . . A 1 11.611 75.704 48.027 1 17.97 ? CB TRP 473 A 1 +ATOM 3633 C CG TRP 473 . . A 1 11.772 74.677 49.157 1 18.66 ? CG TRP 473 A 1 +ATOM 3634 C CD1 TRP 473 . . A 1 10.715 73.896 49.684 1 15 ? CD1 TRP 473 A 1 +ATOM 3635 C CD2 TRP 473 . . A 1 12.93 74.304 49.885 1 16.88 ? CD2 TRP 473 A 1 +ATOM 3636 N NE1 TRP 473 . . A 1 11.154 73.078 50.675 1 14.33 ? NE1 TRP 473 A 1 +ATOM 3637 C CE2 TRP 473 . . A 1 12.501 73.272 50.857 1 13.46 ? CE2 TRP 473 A 1 +ATOM 3638 C CE3 TRP 473 . . A 1 14.272 74.684 49.864 1 18.34 ? CE3 TRP 473 A 1 +ATOM 3639 C CZ2 TRP 473 . . A 1 13.458 72.703 51.715 1 10.94 ? CZ2 TRP 473 A 1 +ATOM 3640 C CZ3 TRP 473 . . A 1 15.204 74.093 50.741 1 15.94 ? CZ3 TRP 473 A 1 +ATOM 3641 C CH2 TRP 473 . . A 1 14.797 73.118 51.659 1 13.44 ? CH2 TRP 473 A 1 +ATOM 3642 N N ALA 474 . . A 1 11.725 77.08 45.143 1 18.06 ? N ALA 474 A 1 +ATOM 3643 C CA ALA 474 . . A 1 11.038 77.443 43.897 1 12.46 ? CA ALA 474 A 1 +ATOM 3644 C C ALA 474 . . A 1 11.815 76.997 42.682 1 10.86 ? C ALA 474 A 1 +ATOM 3645 O O ALA 474 . . A 1 11.29 76.292 41.835 1 13.28 ? O ALA 474 A 1 +ATOM 3646 C CB ALA 474 . . A 1 10.74 78.933 43.835 1 11.11 ? CB ALA 474 A 1 +ATOM 3647 N N THR 475 . . A 1 13.074 77.399 42.593 1 7.89 ? N THR 475 A 1 +ATOM 3648 C CA THR 475 . . A 1 13.95 77.014 41.495 1 9.64 ? CA THR 475 A 1 +ATOM 3649 C C THR 475 . . A 1 14.029 75.501 41.324 1 12.78 ? C THR 475 A 1 +ATOM 3650 O O THR 475 . . A 1 14.08 74.974 40.219 1 12.13 ? O THR 475 A 1 +ATOM 3651 C CB THR 475 . . A 1 15.327 77.597 41.792 1 7.84 ? CB THR 475 A 1 +ATOM 3652 O OG1 THR 475 . . A 1 15.073 78.985 41.895 1 11.47 ? OG1 THR 475 A 1 +ATOM 3653 C CG2 THR 475 . . A 1 16.398 77.356 40.722 1 6.36 ? CG2 THR 475 A 1 +ATOM 3654 N N PHE 476 . . A 1 14.034 74.766 42.439 1 16.53 ? N PHE 476 A 1 +ATOM 3655 C CA PHE 476 . . A 1 14.063 73.322 42.254 1 16.97 ? CA PHE 476 A 1 +ATOM 3656 C C PHE 476 . . A 1 12.729 72.858 41.634 1 19.25 ? C PHE 476 A 1 +ATOM 3657 O O PHE 476 . . A 1 12.684 71.957 40.806 1 20.45 ? O PHE 476 A 1 +ATOM 3658 C CB PHE 476 . . A 1 14.322 72.604 43.592 1 14.69 ? CB PHE 476 A 1 +ATOM 3659 C CG PHE 476 . . A 1 14.13 71.11 43.47 1 8.02 ? CG PHE 476 A 1 +ATOM 3660 C CD1 PHE 476 . . A 1 15.191 70.29 43.041 1 8.4 ? CD1 PHE 476 A 1 +ATOM 3661 C CD2 PHE 476 . . A 1 12.871 70.541 43.736 1 2 ? CD2 PHE 476 A 1 +ATOM 3662 C CE1 PHE 476 . . A 1 14.993 68.913 42.87 1 8.04 ? CE1 PHE 476 A 1 +ATOM 3663 C CE2 PHE 476 . . A 1 12.666 69.171 43.563 1 2 ? CE2 PHE 476 A 1 +ATOM 3664 C CZ PHE 476 . . A 1 13.726 68.359 43.132 1 8.31 ? CZ PHE 476 A 1 +ATOM 3665 N N ALA 477 . . A 1 11.641 73.498 42.056 1 19.29 ? N ALA 477 A 1 +ATOM 3666 C CA ALA 477 . . A 1 10.344 73.088 41.528 1 23.33 ? CA ALA 477 A 1 +ATOM 3667 C C ALA 477 . . A 1 10.208 73.333 40.055 1 25.47 ? C ALA 477 A 1 +ATOM 3668 O O ALA 477 . . A 1 9.512 72.608 39.359 1 31.09 ? O ALA 477 A 1 +ATOM 3669 C CB ALA 477 . . A 1 9.185 73.787 42.257 1 21.87 ? CB ALA 477 A 1 +ATOM 3670 N N LYS 478 . . A 1 10.871 74.396 39.589 1 25.09 ? N LYS 478 A 1 +ATOM 3671 C CA LYS 478 . . A 1 10.77 74.689 38.16 1 23.32 ? CA LYS 478 A 1 +ATOM 3672 C C LYS 478 . . A 1 11.755 73.867 37.357 1 20.81 ? C LYS 478 A 1 +ATOM 3673 O O LYS 478 . . A 1 11.423 73.053 36.521 1 26.35 ? O LYS 478 A 1 +ATOM 3674 C CB LYS 478 . . A 1 11.013 76.172 37.858 1 24.55 ? CB LYS 478 A 1 +ATOM 3675 C CG LYS 478 . . A 1 10.29 77.145 38.788 1 27.31 ? CG LYS 478 A 1 +ATOM 3676 C CD LYS 478 . . A 1 10.07 78.487 38.068 1 36.59 ? CD LYS 478 A 1 +ATOM 3677 N N THR 479 . . A 1 13.002 74.13 37.645 1 15.01 ? N THR 479 A 1 +ATOM 3678 C CA THR 479 . . A 1 14.102 73.509 36.995 1 13.07 ? CA THR 479 A 1 +ATOM 3679 C C THR 479 . . A 1 14.392 72.091 37.362 1 16.43 ? C THR 479 A 1 +ATOM 3680 O O THR 479 . . A 1 14.615 71.263 36.499 1 22.36 ? O THR 479 A 1 +ATOM 3681 C CB THR 479 . . A 1 15.332 74.313 37.42 1 13.16 ? CB THR 479 A 1 +ATOM 3682 O OG1 THR 479 . . A 1 15.09 75.645 37.005 1 20.56 ? OG1 THR 479 A 1 +ATOM 3683 C CG2 THR 479 . . A 1 16.67 73.866 36.836 1 19.93 ? CG2 THR 479 A 1 +ATOM 3684 N N GLY 480 . . A 1 14.472 71.805 38.653 1 20.24 ? N GLY 480 A 1 +ATOM 3685 C CA GLY 480 . . A 1 14.836 70.44 39.044 1 16.81 ? CA GLY 480 A 1 +ATOM 3686 C C GLY 480 . . A 1 16.209 70.443 39.664 1 15.43 ? C GLY 480 A 1 +ATOM 3687 O O GLY 480 . . A 1 16.827 69.429 39.964 1 16.07 ? O GLY 480 A 1 +ATOM 3688 N N ASN 481 . . A 1 16.709 71.653 39.846 1 13.23 ? N ASN 481 A 1 +ATOM 3689 C CA ASN 481 . . A 1 18.005 71.873 40.445 1 15.96 ? CA ASN 481 A 1 +ATOM 3690 C C ASN 481 . . A 1 17.73 73.119 41.247 1 18.94 ? C ASN 481 A 1 +ATOM 3691 O O ASN 481 . . A 1 17.024 73.96 40.705 1 22.56 ? O ASN 481 A 1 +ATOM 3692 C CB ASN 481 . . A 1 19.029 72.126 39.349 1 17.9 ? CB ASN 481 A 1 +ATOM 3693 C CG ASN 481 . . A 1 20.375 72.417 39.921 1 19.48 ? CG ASN 481 A 1 +ATOM 3694 O OD1 ASN 481 . . A 1 20.513 73.084 40.924 1 25.74 ? OD1 ASN 481 A 1 +ATOM 3695 N ND2 ASN 481 . . A 1 21.399 71.899 39.278 1 23.51 ? ND2 ASN 481 A 1 +ATOM 3696 N N PRO 482 . . A 1 18.168 73.197 42.528 1 19.54 ? N PRO 482 A 1 +ATOM 3697 C CA PRO 482 . . A 1 17.886 74.366 43.366 1 19.34 ? CA PRO 482 A 1 +ATOM 3698 C C PRO 482 . . A 1 18.739 75.583 43.049 1 21.48 ? C PRO 482 A 1 +ATOM 3699 O O PRO 482 . . A 1 18.451 76.7 43.465 1 21.62 ? O PRO 482 A 1 +ATOM 3700 C CB PRO 482 . . A 1 18.23 73.874 44.785 1 18.08 ? CB PRO 482 A 1 +ATOM 3701 C CG PRO 482 . . A 1 19.205 72.705 44.604 1 16.26 ? CG PRO 482 A 1 +ATOM 3702 C CD PRO 482 . . A 1 18.867 72.121 43.238 1 17.03 ? CD PRO 482 A 1 +ATOM 3703 N N ASN 483 . . A 1 19.846 75.327 42.358 1 23.18 ? N ASN 483 A 1 +ATOM 3704 C CA ASN 483 . . A 1 20.779 76.374 41.991 1 25.35 ? CA ASN 483 A 1 +ATOM 3705 C C ASN 483 . . A 1 20.437 77.083 40.708 1 29.38 ? C ASN 483 A 1 +ATOM 3706 O O ASN 483 . . A 1 20.162 76.487 39.676 1 31.96 ? O ASN 483 A 1 +ATOM 3707 C CB ASN 483 . . A 1 22.151 75.763 41.699 1 22.37 ? CB ASN 483 A 1 +ATOM 3708 C CG ASN 483 . . A 1 22.794 75.294 42.96 1 25.4 ? CG ASN 483 A 1 +ATOM 3709 O OD1 ASN 483 . . A 1 22.995 74.115 43.211 1 18.89 ? OD1 ASN 483 A 1 +ATOM 3710 N ND2 ASN 483 . . A 1 23.13 76.288 43.791 1 27.5 ? ND2 ASN 483 A 1 +ATOM 3711 N N GLU 484 . . A 1 20.466 78.424 40.773 1 34.07 ? N GLU 484 A 1 +ATOM 3712 C CA GLU 484 . . A 1 20.242 79.176 39.54 1 37.82 ? CA GLU 484 A 1 +ATOM 3713 C C GLU 484 . . A 1 21.578 78.951 38.851 1 44.5 ? C GLU 484 A 1 +ATOM 3714 O O GLU 484 . . A 1 22.56 78.711 39.559 1 43.46 ? O GLU 484 A 1 +ATOM 3715 C CB GLU 484 . . A 1 20.014 80.696 39.74 1 36.04 ? CB GLU 484 A 1 +ATOM 3716 C CG GLU 484 . . A 1 18.511 81.037 39.875 1 34.11 ? CG GLU 484 A 1 +ATOM 3717 N N PRO 485 . . A 1 21.583 79.025 37.5 1 50.47 ? N PRO 485 A 1 +ATOM 3718 C CA PRO 485 . . A 1 22.85 79.019 36.758 1 51.91 ? CA PRO 485 A 1 +ATOM 3719 C C PRO 485 . . A 1 23.766 80.205 37.072 1 52.65 ? C PRO 485 A 1 +ATOM 3720 O O PRO 485 . . A 1 24.981 80.013 37.035 1 52.72 ? O PRO 485 A 1 +ATOM 3721 C CB PRO 485 . . A 1 22.418 78.986 35.283 1 52.01 ? CB PRO 485 A 1 +ATOM 3722 C CG PRO 485 . . A 1 20.927 78.579 35.263 1 50.28 ? CG PRO 485 A 1 +ATOM 3723 C CD PRO 485 . . A 1 20.381 78.905 36.656 1 49.49 ? CD PRO 485 A 1 +ATOM 3724 N N SER 490 . . A 1 26.591 79.111 46.48 1 46.63 ? N SER 490 A 1 +ATOM 3725 C CA SER 490 . . A 1 27.53 78.335 45.692 1 45.59 ? CA SER 490 A 1 +ATOM 3726 C C SER 490 . . A 1 26.698 77.159 45.269 1 42.64 ? C SER 490 A 1 +ATOM 3727 O O SER 490 . . A 1 25.538 77.111 45.674 1 42.6 ? O SER 490 A 1 +ATOM 3728 C CB SER 490 . . A 1 28.772 78.073 46.562 1 47.19 ? CB SER 490 A 1 +ATOM 3729 O OG SER 490 . . A 1 29.102 79.384 47.073 1 50.73 ? OG SER 490 A 1 +ATOM 3730 N N LYS 491 . . A 1 27.241 76.276 44.447 1 38.77 ? N LYS 491 A 1 +ATOM 3731 C CA LYS 491 . . A 1 26.402 75.181 44.041 1 36.63 ? CA LYS 491 A 1 +ATOM 3732 C C LYS 491 . . A 1 26.177 74.297 45.234 1 33.13 ? C LYS 491 A 1 +ATOM 3733 O O LYS 491 . . A 1 27.062 74.134 46.06 1 35.13 ? O LYS 491 A 1 +ATOM 3734 C CB LYS 491 . . A 1 27.005 74.422 42.846 1 40.99 ? CB LYS 491 A 1 +ATOM 3735 C CG LYS 491 . . A 1 27.213 75.311 41.594 1 48.99 ? CG LYS 491 A 1 +ATOM 3736 C CD LYS 491 . . A 1 25.893 75.808 40.953 1 57.24 ? CD LYS 491 A 1 +ATOM 3737 C CE LYS 491 . . A 1 26.055 76.967 39.944 1 61.63 ? CE LYS 491 A 1 +ATOM 3738 N NZ LYS 491 . . A 1 26.3 78.221 40.64 1 62.54 ? NZ LYS 491 A 1 +ATOM 3739 N N TRP 492 . . A 1 24.951 73.815 45.309 1 26.12 ? N TRP 492 A 1 +ATOM 3740 C CA TRP 492 . . A 1 24.5 72.929 46.334 1 19 ? CA TRP 492 A 1 +ATOM 3741 C C TRP 492 . . A 1 24.755 71.623 45.588 1 18.58 ? C TRP 492 A 1 +ATOM 3742 O O TRP 492 . . A 1 24.022 71.332 44.657 1 20.29 ? O TRP 492 A 1 +ATOM 3743 C CB TRP 492 . . A 1 22.994 73.252 46.571 1 11.79 ? CB TRP 492 A 1 +ATOM 3744 C CG TRP 492 . . A 1 22.225 72.25 47.431 1 10.05 ? CG TRP 492 A 1 +ATOM 3745 C CD1 TRP 492 . . A 1 22.584 70.919 47.775 1 7.17 ? CD1 TRP 492 A 1 +ATOM 3746 C CD2 TRP 492 . . A 1 20.962 72.476 48.003 1 6.08 ? CD2 TRP 492 A 1 +ATOM 3747 N NE1 TRP 492 . . A 1 21.616 70.329 48.509 1 9.72 ? NE1 TRP 492 A 1 +ATOM 3748 C CE2 TRP 492 . . A 1 20.594 71.219 48.686 1 6.7 ? CE2 TRP 492 A 1 +ATOM 3749 C CE3 TRP 492 . . A 1 20.074 73.558 48.02 1 9.07 ? CE3 TRP 492 A 1 +ATOM 3750 C CZ2 TRP 492 . . A 1 19.363 71.13 49.348 1 5.91 ? CZ2 TRP 492 A 1 +ATOM 3751 C CZ3 TRP 492 . . A 1 18.846 73.43 48.7 1 6.97 ? CZ3 TRP 492 A 1 +ATOM 3752 C CH2 TRP 492 . . A 1 18.498 72.235 49.355 1 4.77 ? CH2 TRP 492 A 1 +ATOM 3753 N N PRO 493 . . A 1 25.819 70.87 45.921 1 17.27 ? N PRO 493 A 1 +ATOM 3754 C CA PRO 493 . . A 1 26.128 69.659 45.145 1 19.88 ? CA PRO 493 A 1 +ATOM 3755 C C PRO 493 . . A 1 25.022 68.629 45.075 1 20.16 ? C PRO 493 A 1 +ATOM 3756 O O PRO 493 . . A 1 24.136 68.597 45.921 1 26.93 ? O PRO 493 A 1 +ATOM 3757 C CB PRO 493 . . A 1 27.271 68.983 45.936 1 19.03 ? CB PRO 493 A 1 +ATOM 3758 C CG PRO 493 . . A 1 27.844 70.063 46.857 1 22.5 ? CG PRO 493 A 1 +ATOM 3759 C CD PRO 493 . . A 1 26.749 71.135 47.013 1 18.43 ? CD PRO 493 A 1 +ATOM 3760 N N LEU 494 . . A 1 25.13 67.751 44.078 1 18.42 ? N LEU 494 A 1 +ATOM 3761 C CA LEU 494 . . A 1 24.14 66.682 43.997 1 19.26 ? CA LEU 494 A 1 +ATOM 3762 C C LEU 494 . . A 1 24.604 65.687 45.037 1 21.65 ? C LEU 494 A 1 +ATOM 3763 O O LEU 494 . . A 1 25.778 65.617 45.407 1 26.28 ? O LEU 494 A 1 +ATOM 3764 C CB LEU 494 . . A 1 24.198 65.863 42.675 1 18.39 ? CB LEU 494 A 1 +ATOM 3765 C CG LEU 494 . . A 1 23.502 66.431 41.42 1 14.5 ? CG LEU 494 A 1 +ATOM 3766 C CD1 LEU 494 . . A 1 24.072 65.72 40.181 1 14.53 ? CD1 LEU 494 A 1 +ATOM 3767 C CD2 LEU 494 . . A 1 21.976 66.245 41.464 1 4.23 ? CD2 LEU 494 A 1 +ATOM 3768 N N PHE 495 . . A 1 23.658 64.893 45.485 1 20.58 ? N PHE 495 A 1 +ATOM 3769 C CA PHE 495 . . A 1 24.01 63.884 46.449 1 24.09 ? CA PHE 495 A 1 +ATOM 3770 C C PHE 495 . . A 1 24.387 62.725 45.561 1 25.16 ? C PHE 495 A 1 +ATOM 3771 O O PHE 495 . . A 1 23.678 62.448 44.6 1 27.4 ? O PHE 495 A 1 +ATOM 3772 C CB PHE 495 . . A 1 22.79 63.533 47.346 1 24 ? CB PHE 495 A 1 +ATOM 3773 C CG PHE 495 . . A 1 23.04 62.305 48.198 1 19.91 ? CG PHE 495 A 1 +ATOM 3774 C CD1 PHE 495 . . A 1 22.816 61.023 47.681 1 19.53 ? CD1 PHE 495 A 1 +ATOM 3775 C CD2 PHE 495 . . A 1 23.561 62.437 49.487 1 19.87 ? CD2 PHE 495 A 1 +ATOM 3776 C CE1 PHE 495 . . A 1 23.152 59.888 48.429 1 23.95 ? CE1 PHE 495 A 1 +ATOM 3777 C CE2 PHE 495 . . A 1 23.875 61.305 50.24 1 20.88 ? CE2 PHE 495 A 1 +ATOM 3778 C CZ PHE 495 . . A 1 23.69 60.024 49.713 1 20.47 ? CZ PHE 495 A 1 +ATOM 3779 N N THR 496 . . A 1 25.487 62.048 45.868 1 26.97 ? N THR 496 A 1 +ATOM 3780 C CA THR 496 . . A 1 25.872 60.907 45.06 1 28.29 ? CA THR 496 A 1 +ATOM 3781 C C THR 496 . . A 1 26.175 59.786 46.027 1 30.14 ? C THR 496 A 1 +ATOM 3782 O O THR 496 . . A 1 26.657 60.005 47.13 1 31.89 ? O THR 496 A 1 +ATOM 3783 C CB THR 496 . . A 1 27.053 61.284 44.158 1 30.33 ? CB THR 496 A 1 +ATOM 3784 O OG1 THR 496 . . A 1 28.256 61.472 44.897 1 36.96 ? OG1 THR 496 A 1 +ATOM 3785 C CG2 THR 496 . . A 1 26.828 62.591 43.379 1 34.12 ? CG2 THR 496 A 1 +ATOM 3786 N N THR 497 . . A 1 25.927 58.562 45.611 1 31.97 ? N THR 497 A 1 +ATOM 3787 C CA THR 497 . . A 1 26.216 57.468 46.527 1 33.76 ? CA THR 497 A 1 +ATOM 3788 C C THR 497 . . A 1 27.712 57.368 46.853 1 37.8 ? C THR 497 A 1 +ATOM 3789 O O THR 497 . . A 1 28.118 56.851 47.886 1 40.57 ? O THR 497 A 1 +ATOM 3790 C CB THR 497 . . A 1 25.634 56.185 45.937 1 32.55 ? CB THR 497 A 1 +ATOM 3791 O OG1 THR 497 . . A 1 26.015 56.13 44.56 1 37.23 ? OG1 THR 497 A 1 +ATOM 3792 C CG2 THR 497 . . A 1 24.099 56.14 45.988 1 34.37 ? CG2 THR 497 A 1 +ATOM 3793 N N LYS 498 . . A 1 28.511 57.888 45.908 1 40.37 ? N LYS 498 A 1 +ATOM 3794 C CA LYS 498 . . A 1 29.96 57.887 46.057 1 42.8 ? CA LYS 498 A 1 +ATOM 3795 C C LYS 498 . . A 1 30.373 58.851 47.147 1 42.93 ? C LYS 498 A 1 +ATOM 3796 O O LYS 498 . . A 1 30.764 58.517 48.254 1 43.73 ? O LYS 498 A 1 +ATOM 3797 C CB LYS 498 . . A 1 30.722 58.284 44.762 1 42.58 ? CB LYS 498 A 1 +ATOM 3798 N N GLU 499 . . A 1 30.274 60.117 46.782 1 43.38 ? N GLU 499 A 1 +ATOM 3799 C CA GLU 499 . . A 1 30.643 61.219 47.656 1 44.02 ? CA GLU 499 A 1 +ATOM 3800 C C GLU 499 . . A 1 29.337 61.877 48.026 1 42.03 ? C GLU 499 A 1 +ATOM 3801 O O GLU 499 . . A 1 28.832 62.794 47.38 1 45.5 ? O GLU 499 A 1 +ATOM 3802 C CB GLU 499 . . A 1 31.619 62.139 46.899 1 45.86 ? CB GLU 499 A 1 +ATOM 3803 C CG GLU 499 . . A 1 31.172 62.342 45.437 1 45.32 ? CG GLU 499 A 1 +ATOM 3804 N N GLN 500 . . A 1 28.787 61.317 49.089 1 36.62 ? N GLN 500 A 1 +ATOM 3805 C CA GLN 500 . . A 1 27.509 61.713 49.653 1 33.88 ? CA GLN 500 A 1 +ATOM 3806 C C GLN 500 . . A 1 27.47 63.138 50.196 1 31.5 ? C GLN 500 A 1 +ATOM 3807 O O GLN 500 . . A 1 27.473 63.311 51.409 1 37.01 ? O GLN 500 A 1 +ATOM 3808 C CB GLN 500 . . A 1 27.23 60.692 50.764 1 35.36 ? CB GLN 500 A 1 +ATOM 3809 C CG GLN 500 . . A 1 27.456 59.25 50.291 1 34.03 ? CG GLN 500 A 1 +ATOM 3810 C CD GLN 500 . . A 1 26.779 58.232 51.164 1 36.65 ? CD GLN 500 A 1 +ATOM 3811 O OE1 GLN 500 . . A 1 26.191 58.493 52.215 1 38.59 ? OE1 GLN 500 A 1 +ATOM 3812 N NE2 GLN 500 . . A 1 26.894 57.016 50.684 1 39.33 ? NE2 GLN 500 A 1 +ATOM 3813 N N LYS 501 . . A 1 27.434 64.14 49.321 1 26.18 ? N LYS 501 A 1 +ATOM 3814 C CA LYS 501 . . A 1 27.421 65.517 49.789 1 21.65 ? CA LYS 501 A 1 +ATOM 3815 C C LYS 501 . . A 1 26.041 66.019 50.134 1 21.55 ? C LYS 501 A 1 +ATOM 3816 O O LYS 501 . . A 1 25.049 65.554 49.594 1 21.6 ? O LYS 501 A 1 +ATOM 3817 C CB LYS 501 . . A 1 27.978 66.424 48.693 1 22.57 ? CB LYS 501 A 1 +ATOM 3818 C CG LYS 501 . . A 1 29.489 66.261 48.541 1 27.22 ? CG LYS 501 A 1 +ATOM 3819 C CD LYS 501 . . A 1 29.927 66.053 47.091 1 34.72 ? CD LYS 501 A 1 +ATOM 3820 C CE LYS 501 . . A 1 31.419 66.344 46.895 1 37.58 ? CE LYS 501 A 1 +ATOM 3821 N NZ LYS 501 . . A 1 31.651 67.784 46.932 1 41.05 ? NZ LYS 501 A 1 +ATOM 3822 N N PHE 502 . . A 1 26.03 67.015 51.026 1 19.88 ? N PHE 502 A 1 +ATOM 3823 C CA PHE 502 . . A 1 24.828 67.687 51.502 1 20.61 ? CA PHE 502 A 1 +ATOM 3824 C C PHE 502 . . A 1 25.297 69.03 51.998 1 21.35 ? C PHE 502 A 1 +ATOM 3825 O O PHE 502 . . A 1 26.501 69.257 52.126 1 20.82 ? O PHE 502 A 1 +ATOM 3826 C CB PHE 502 . . A 1 24.091 66.939 52.623 1 20.67 ? CB PHE 502 A 1 +ATOM 3827 C CG PHE 502 . . A 1 24.852 66.899 53.936 1 19.91 ? CG PHE 502 A 1 +ATOM 3828 C CD1 PHE 502 . . A 1 24.654 67.907 54.902 1 19.7 ? CD1 PHE 502 A 1 +ATOM 3829 C CD2 PHE 502 . . A 1 25.717 65.828 54.225 1 18.02 ? CD2 PHE 502 A 1 +ATOM 3830 C CE1 PHE 502 . . A 1 25.28 67.827 56.149 1 16.32 ? CE1 PHE 502 A 1 +ATOM 3831 C CE2 PHE 502 . . A 1 26.338 65.743 55.477 1 16.24 ? CE2 PHE 502 A 1 +ATOM 3832 C CZ PHE 502 . . A 1 26.11 66.737 56.438 1 16.77 ? CZ PHE 502 A 1 +ATOM 3833 N N ILE 503 . . A 1 24.34 69.909 52.303 1 19.7 ? N ILE 503 A 1 +ATOM 3834 C CA ILE 503 . . A 1 24.756 71.214 52.769 1 21.62 ? CA ILE 503 A 1 +ATOM 3835 C C ILE 503 . . A 1 24.054 71.584 54.048 1 23.19 ? C ILE 503 A 1 +ATOM 3836 O O ILE 503 . . A 1 23.018 71.033 54.414 1 26.92 ? O ILE 503 A 1 +ATOM 3837 C CB ILE 503 . . A 1 24.485 72.259 51.67 1 20.67 ? CB ILE 503 A 1 +ATOM 3838 C CG1 ILE 503 . . A 1 23.007 72.413 51.293 1 18.01 ? CG1 ILE 503 A 1 +ATOM 3839 C CG2 ILE 503 . . A 1 25.304 71.926 50.425 1 24.07 ? CG2 ILE 503 A 1 +ATOM 3840 C CD1 ILE 503 . . A 1 22.765 73.733 50.558 1 17.69 ? CD1 ILE 503 A 1 +ATOM 3841 N N ASP 504 . . A 1 24.667 72.543 54.74 1 23.58 ? N ASP 504 A 1 +ATOM 3842 C CA ASP 504 . . A 1 24.075 73.039 55.972 1 24.35 ? CA ASP 504 A 1 +ATOM 3843 C C ASP 504 . . A 1 23.161 74.165 55.53 1 23.37 ? C ASP 504 A 1 +ATOM 3844 O O ASP 504 . . A 1 23.494 74.928 54.633 1 26.8 ? O ASP 504 A 1 +ATOM 3845 C CB ASP 504 . . A 1 25.142 73.603 56.917 1 28.56 ? CB ASP 504 A 1 +ATOM 3846 C CG ASP 504 . . A 1 25.866 72.563 57.755 1 31.28 ? CG ASP 504 A 1 +ATOM 3847 O OD1 ASP 504 . . A 1 25.449 71.404 57.795 1 30.48 ? OD1 ASP 504 A 1 +ATOM 3848 O OD2 ASP 504 . . A 1 26.854 72.935 58.387 1 36.62 ? OD2 ASP 504 A 1 +ATOM 3849 N N LEU 505 . . A 1 22.027 74.291 56.181 1 21.29 ? N LEU 505 A 1 +ATOM 3850 C CA LEU 505 . . A 1 21.099 75.326 55.795 1 19.77 ? CA LEU 505 A 1 +ATOM 3851 C C LEU 505 . . A 1 20.89 76.199 57.017 1 22.78 ? C LEU 505 A 1 +ATOM 3852 O O LEU 505 . . A 1 20.004 75.992 57.834 1 27.15 ? O LEU 505 A 1 +ATOM 3853 C CB LEU 505 . . A 1 19.843 74.574 55.338 1 16 ? CB LEU 505 A 1 +ATOM 3854 C CG LEU 505 . . A 1 19.007 75.26 54.277 1 14.53 ? CG LEU 505 A 1 +ATOM 3855 C CD1 LEU 505 . . A 1 19.803 75.551 52.994 1 11.95 ? CD1 LEU 505 A 1 +ATOM 3856 C CD2 LEU 505 . . A 1 17.796 74.358 53.969 1 13.12 ? CD2 LEU 505 A 1 +ATOM 3857 N N ASN 506 . . A 1 21.768 77.168 57.181 1 22.31 ? N ASN 506 A 1 +ATOM 3858 C CA ASN 506 . . A 1 21.673 78.071 58.314 1 23.56 ? CA ASN 506 A 1 +ATOM 3859 C C ASN 506 . . A 1 22.193 79.378 57.791 1 26.6 ? C ASN 506 A 1 +ATOM 3860 O O ASN 506 . . A 1 22.67 79.422 56.675 1 31.76 ? O ASN 506 A 1 +ATOM 3861 C CB ASN 506 . . A 1 22.439 77.572 59.537 1 21.45 ? CB ASN 506 A 1 +ATOM 3862 C CG ASN 506 . . A 1 23.91 77.47 59.239 1 21.54 ? CG ASN 506 A 1 +ATOM 3863 O OD1 ASN 506 . . A 1 24.511 78.471 58.895 1 15.8 ? OD1 ASN 506 A 1 +ATOM 3864 N ND2 ASN 506 . . A 1 24.483 76.272 59.376 1 18.47 ? ND2 ASN 506 A 1 +ATOM 3865 N N THR 507 . . A 1 22.104 80.426 58.594 1 26.94 ? N THR 507 A 1 +ATOM 3866 C CA THR 507 . . A 1 22.532 81.752 58.159 1 28.8 ? CA THR 507 A 1 +ATOM 3867 C C THR 507 . . A 1 24.014 82.032 57.809 1 31.21 ? C THR 507 A 1 +ATOM 3868 O O THR 507 . . A 1 24.354 83.131 57.382 1 32.73 ? O THR 507 A 1 +ATOM 3869 C CB THR 507 . . A 1 22.051 82.754 59.214 1 29.17 ? CB THR 507 A 1 +ATOM 3870 O OG1 THR 507 . . A 1 22.596 82.406 60.489 1 30.67 ? OG1 THR 507 A 1 +ATOM 3871 C CG2 THR 507 . . A 1 20.523 82.841 59.393 1 27.48 ? CG2 THR 507 A 1 +ATOM 3872 N N GLU 508 . . A 1 24.918 81.088 58.022 1 33.28 ? N GLU 508 A 1 +ATOM 3873 C CA GLU 508 . . A 1 26.312 81.365 57.69 1 37.8 ? CA GLU 508 A 1 +ATOM 3874 C C GLU 508 . . A 1 26.534 81.12 56.192 1 43.12 ? C GLU 508 A 1 +ATOM 3875 O O GLU 508 . . A 1 25.679 80.61 55.477 1 46.45 ? O GLU 508 A 1 +ATOM 3876 C CB GLU 508 . . A 1 27.222 80.495 58.56 1 36.74 ? CB GLU 508 A 1 +ATOM 3877 C CG GLU 508 . . A 1 27.087 80.878 60.03 1 37.93 ? CG GLU 508 A 1 +ATOM 3878 N N PRO 509 . . A 1 27.753 81.462 55.723 1 45.16 ? N PRO 509 A 1 +ATOM 3879 C CA PRO 509 . . A 1 28.326 80.814 54.543 1 45.89 ? CA PRO 509 A 1 +ATOM 3880 C C PRO 509 . . A 1 28.195 79.279 54.48 1 46.4 ? C PRO 509 A 1 +ATOM 3881 O O PRO 509 . . A 1 28.728 78.532 55.291 1 47.25 ? O PRO 509 A 1 +ATOM 3882 C CB PRO 509 . . A 1 29.783 81.285 54.586 1 47.53 ? CB PRO 509 A 1 +ATOM 3883 C CG PRO 509 . . A 1 29.772 82.639 55.328 1 49.06 ? CG PRO 509 A 1 +ATOM 3884 C CD PRO 509 . . A 1 28.515 82.611 56.209 1 47.98 ? CD PRO 509 A 1 +ATOM 3885 N N MET 510 . . A 1 27.466 78.864 53.443 1 45.34 ? N MET 510 A 1 +ATOM 3886 C CA MET 510 . . A 1 27.173 77.47 53.14 1 43.84 ? CA MET 510 A 1 +ATOM 3887 C C MET 510 . . A 1 28.368 76.54 53.244 1 42.69 ? C MET 510 A 1 +ATOM 3888 O O MET 510 . . A 1 29.455 76.849 52.775 1 45.05 ? O MET 510 A 1 +ATOM 3889 C CB MET 510 . . A 1 26.687 77.42 51.678 1 44.66 ? CB MET 510 A 1 +ATOM 3890 C CG MET 510 . . A 1 25.631 76.352 51.383 1 48.03 ? CG MET 510 A 1 +ATOM 3891 S SD MET 510 . . A 1 25.524 76.214 49.574 1 48.04 ? SD MET 510 A 1 +ATOM 3892 C CE MET 510 . . A 1 26.976 75.147 49.315 1 46.5 ? CE MET 510 A 1 +ATOM 3893 N N LYS 511 . . A 1 28.127 75.365 53.813 1 38.25 ? N LYS 511 A 1 +ATOM 3894 C CA LYS 511 . . A 1 29.199 74.402 53.925 1 37.85 ? CA LYS 511 A 1 +ATOM 3895 C C LYS 511 . . A 1 28.612 73.139 53.386 1 36.58 ? C LYS 511 A 1 +ATOM 3896 O O LYS 511 . . A 1 27.443 72.831 53.59 1 41.64 ? O LYS 511 A 1 +ATOM 3897 C CB LYS 511 . . A 1 29.68 74.208 55.364 1 39.61 ? CB LYS 511 A 1 +ATOM 3898 C CG LYS 511 . . A 1 30.365 75.483 55.888 1 45.9 ? CG LYS 511 A 1 +ATOM 3899 N N VAL 512 . . A 1 29.451 72.433 52.668 1 33.4 ? N VAL 512 A 1 +ATOM 3900 C CA VAL 512 . . A 1 29.092 71.186 52.072 1 31.1 ? CA VAL 512 A 1 +ATOM 3901 C C VAL 512 . . A 1 29.763 70.204 52.995 1 31.86 ? C VAL 512 A 1 +ATOM 3902 O O VAL 512 . . A 1 30.877 70.441 53.458 1 35.08 ? O VAL 512 A 1 +ATOM 3903 C CB VAL 512 . . A 1 29.715 71.171 50.663 1 29.54 ? CB VAL 512 A 1 +ATOM 3904 C CG1 VAL 512 . . A 1 29.595 69.803 49.976 1 24.94 ? CG1 VAL 512 A 1 +ATOM 3905 C CG2 VAL 512 . . A 1 29.173 72.324 49.782 1 24.63 ? CG2 VAL 512 A 1 +ATOM 3906 N N HIS 513 . . A 1 29.103 69.099 53.252 1 30.57 ? N HIS 513 A 1 +ATOM 3907 C CA HIS 513 . . A 1 29.684 68.11 54.137 1 28.81 ? CA HIS 513 A 1 +ATOM 3908 C C HIS 513 . . A 1 29.496 66.808 53.442 1 25.76 ? C HIS 513 A 1 +ATOM 3909 O O HIS 513 . . A 1 29.01 66.767 52.325 1 25.49 ? O HIS 513 A 1 +ATOM 3910 C CB HIS 513 . . A 1 28.911 68.108 55.46 1 30.36 ? CB HIS 513 A 1 +ATOM 3911 C CG HIS 513 . . A 1 29.01 69.433 56.177 1 30.18 ? CG HIS 513 A 1 +ATOM 3912 N ND1 HIS 513 . . A 1 29.984 69.762 57.046 1 27.05 ? ND1 HIS 513 A 1 +ATOM 3913 C CD2 HIS 513 . . A 1 28.12 70.531 56.077 1 30.29 ? CD2 HIS 513 A 1 +ATOM 3914 C CE1 HIS 513 . . A 1 29.71 71.006 57.465 1 29.04 ? CE1 HIS 513 A 1 +ATOM 3915 N NE2 HIS 513 . . A 1 28.595 71.488 56.893 1 27.19 ? NE2 HIS 513 A 1 +ATOM 3916 N N GLN 514 . . A 1 29.878 65.729 54.107 1 26.12 ? N GLN 514 A 1 +ATOM 3917 C CA GLN 514 . . A 1 29.7 64.446 53.466 1 28.73 ? CA GLN 514 A 1 +ATOM 3918 C C GLN 514 . . A 1 29.154 63.479 54.488 1 26.2 ? C GLN 514 A 1 +ATOM 3919 O O GLN 514 . . A 1 29.258 63.668 55.688 1 28.26 ? O GLN 514 A 1 +ATOM 3920 C CB GLN 514 . . A 1 31.047 63.886 52.982 1 34.39 ? CB GLN 514 A 1 +ATOM 3921 C CG GLN 514 . . A 1 31.757 64.771 51.948 1 43.27 ? CG GLN 514 A 1 +ATOM 3922 C CD GLN 514 . . A 1 32.749 63.918 51.176 1 50.37 ? CD GLN 514 A 1 +ATOM 3923 O OE1 GLN 514 . . A 1 32.742 63.829 49.961 1 54.52 ? OE1 GLN 514 A 1 +ATOM 3924 N NE2 GLN 514 . . A 1 33.595 63.232 51.934 1 54.93 ? NE2 GLN 514 A 1 +ATOM 3925 N N ARG 515 . . A 1 28.572 62.43 53.95 1 22.03 ? N ARG 515 A 1 +ATOM 3926 C CA ARG 515 . . A 1 28.017 61.34 54.718 1 25.43 ? CA ARG 515 A 1 +ATOM 3927 C C ARG 515 . . A 1 27.241 61.698 55.989 1 26.46 ? C ARG 515 A 1 +ATOM 3928 O O ARG 515 . . A 1 27.659 61.338 57.085 1 28.69 ? O ARG 515 A 1 +ATOM 3929 C CB ARG 515 . . A 1 29.141 60.36 55.035 1 22.7 ? CB ARG 515 A 1 +ATOM 3930 C CG ARG 515 . . A 1 30.029 60.068 53.829 1 28.79 ? CG ARG 515 A 1 +ATOM 3931 C CD ARG 515 . . A 1 30.769 58.73 53.914 1 32.56 ? CD ARG 515 A 1 +ATOM 3932 N NE ARG 515 . . A 1 31.746 58.638 52.841 1 36.56 ? NE ARG 515 A 1 +ATOM 3933 N N LEU 516 . . A 1 26.088 62.384 55.818 1 26.31 ? N LEU 516 A 1 +ATOM 3934 C CA LEU 516 . . A 1 25.24 62.77 56.973 1 23.29 ? CA LEU 516 A 1 +ATOM 3935 C C LEU 516 . . A 1 25.011 61.575 57.903 1 23.73 ? C LEU 516 A 1 +ATOM 3936 O O LEU 516 . . A 1 24.396 60.585 57.519 1 27.68 ? O LEU 516 A 1 +ATOM 3937 C CB LEU 516 . . A 1 23.86 63.311 56.494 1 18.5 ? CB LEU 516 A 1 +ATOM 3938 C CG LEU 516 . . A 1 22.863 63.749 57.589 1 14.83 ? CG LEU 516 A 1 +ATOM 3939 C CD1 LEU 516 . . A 1 23.39 64.914 58.426 1 12.67 ? CD1 LEU 516 A 1 +ATOM 3940 C CD2 LEU 516 . . A 1 21.511 64.142 56.982 1 13.11 ? CD2 LEU 516 A 1 +ATOM 3941 N N ARG 517 . . A 1 25.558 61.711 59.122 1 20.27 ? N ARG 517 A 1 +ATOM 3942 C CA ARG 517 . . A 1 25.469 60.716 60.191 1 17.84 ? CA ARG 517 A 1 +ATOM 3943 C C ARG 517 . . A 1 25.761 59.285 59.806 1 15.26 ? C ARG 517 A 1 +ATOM 3944 O O ARG 517 . . A 1 24.978 58.42 60.175 1 16.45 ? O ARG 517 A 1 +ATOM 3945 C CB ARG 517 . . A 1 24.117 60.794 60.935 1 19.67 ? CB ARG 517 A 1 +ATOM 3946 C CG ARG 517 . . A 1 23.89 62.214 61.487 1 30.15 ? CG ARG 517 A 1 +ATOM 3947 C CD ARG 517 . . A 1 22.794 62.298 62.55 1 36.82 ? CD ARG 517 A 1 +ATOM 3948 N NE ARG 517 . . A 1 23.183 61.635 63.783 1 41.57 ? NE ARG 517 A 1 +ATOM 3949 C CZ ARG 517 . . A 1 23.891 62.251 64.733 1 43.2 ? CZ ARG 517 A 1 +ATOM 3950 N NH1 ARG 517 . . A 1 24.358 63.482 64.526 1 47.32 ? NH1 ARG 517 A 1 +ATOM 3951 N NH2 ARG 517 . . A 1 24.121 61.624 65.89 1 42.62 ? NH2 ARG 517 A 1 +ATOM 3952 N N VAL 518 . . A 1 26.889 59.019 59.127 1 13.18 ? N VAL 518 A 1 +ATOM 3953 C CA VAL 518 . . A 1 27.135 57.612 58.778 1 17.36 ? CA VAL 518 A 1 +ATOM 3954 C C VAL 518 . . A 1 27.213 56.664 59.963 1 18.52 ? C VAL 518 A 1 +ATOM 3955 O O VAL 518 . . A 1 26.413 55.754 60.096 1 14.69 ? O VAL 518 A 1 +ATOM 3956 C CB VAL 518 . . A 1 28.401 57.398 57.912 1 18.87 ? CB VAL 518 A 1 +ATOM 3957 C CG1 VAL 518 . . A 1 27.97 57.12 56.474 1 28.46 ? CG1 VAL 518 A 1 +ATOM 3958 C CG2 VAL 518 . . A 1 29.428 58.554 57.996 1 21.55 ? CG2 VAL 518 A 1 +ATOM 3959 N N GLN 519 . . A 1 28.214 56.902 60.832 1 22.65 ? N GLN 519 A 1 +ATOM 3960 C CA GLN 519 . . A 1 28.449 56.063 62.017 1 24.45 ? CA GLN 519 A 1 +ATOM 3961 C C GLN 519 . . A 1 27.175 55.603 62.702 1 22.52 ? C GLN 519 A 1 +ATOM 3962 O O GLN 519 . . A 1 26.929 54.421 62.883 1 24 ? O GLN 519 A 1 +ATOM 3963 C CB GLN 519 . . A 1 29.347 56.8 63.032 1 32.94 ? CB GLN 519 A 1 +ATOM 3964 C CG GLN 519 . . A 1 30.815 57.005 62.565 1 45.37 ? CG GLN 519 A 1 +ATOM 3965 C CD GLN 519 . . A 1 31.899 56.076 63.138 1 53.76 ? CD GLN 519 A 1 +ATOM 3966 O OE1 GLN 519 . . A 1 32.995 56.074 62.6 1 55.27 ? OE1 GLN 519 A 1 +ATOM 3967 N NE2 GLN 519 . . A 1 31.604 55.292 64.188 1 57.01 ? NE2 GLN 519 A 1 +ATOM 3968 N N MET 520 . . A 1 26.362 56.589 63.069 1 18.13 ? N MET 520 A 1 +ATOM 3969 C CA MET 520 . . A 1 25.139 56.218 63.731 1 17.36 ? CA MET 520 A 1 +ATOM 3970 C C MET 520 . . A 1 24.192 55.493 62.79 1 17.54 ? C MET 520 A 1 +ATOM 3971 O O MET 520 . . A 1 23.574 54.475 63.097 1 20.36 ? O MET 520 A 1 +ATOM 3972 C CB MET 520 . . A 1 24.492 57.463 64.356 1 21.26 ? CB MET 520 A 1 +ATOM 3973 C CG MET 520 . . A 1 25.296 58.011 65.558 1 29.41 ? CG MET 520 A 1 +ATOM 3974 S SD MET 520 . . A 1 25.354 56.747 66.907 1 39.85 ? SD MET 520 A 1 +ATOM 3975 C CE MET 520 . . A 1 27.122 56.322 67.005 1 34.92 ? CE MET 520 A 1 +ATOM 3976 N N CYS 521 . . A 1 24.081 56.023 61.579 1 17.21 ? N CYS 521 A 1 +ATOM 3977 C CA CYS 521 . . A 1 23.154 55.371 60.677 1 14 ? CA CYS 521 A 1 +ATOM 3978 C C CYS 521 . . A 1 23.529 53.95 60.292 1 16.98 ? C CYS 521 A 1 +ATOM 3979 O O CYS 521 . . A 1 22.612 53.181 60.031 1 17.51 ? O CYS 521 A 1 +ATOM 3980 C CB CYS 521 . . A 1 22.786 56.281 59.529 1 8.52 ? CB CYS 521 A 1 +ATOM 3981 S SG CYS 521 . . A 1 21.751 57.655 60.125 1 16.59 ? SG CYS 521 A 1 +ATOM 3982 N N VAL 522 . . A 1 24.819 53.545 60.268 1 17.4 ? N VAL 522 A 1 +ATOM 3983 C CA VAL 522 . . A 1 25.074 52.145 59.913 1 18.14 ? CA VAL 522 A 1 +ATOM 3984 C C VAL 522 . . A 1 24.569 51.258 61.053 1 19.65 ? C VAL 522 A 1 +ATOM 3985 O O VAL 522 . . A 1 24.107 50.131 60.864 1 20.84 ? O VAL 522 A 1 +ATOM 3986 C CB VAL 522 . . A 1 26.535 51.858 59.422 1 18.71 ? CB VAL 522 A 1 +ATOM 3987 C CG1 VAL 522 . . A 1 27.443 53.092 59.3 1 18.1 ? CG1 VAL 522 A 1 +ATOM 3988 C CG2 VAL 522 . . A 1 27.275 50.71 60.133 1 19.79 ? CG2 VAL 522 A 1 +ATOM 3989 N N PHE 523 . . A 1 24.641 51.823 62.273 1 17.39 ? N PHE 523 A 1 +ATOM 3990 C CA PHE 523 . . A 1 24.176 51.083 63.433 1 9.03 ? CA PHE 523 A 1 +ATOM 3991 C C PHE 523 . . A 1 22.695 50.785 63.259 1 8.45 ? C PHE 523 A 1 +ATOM 3992 O O PHE 523 . . A 1 22.258 49.643 63.346 1 3.41 ? O PHE 523 A 1 +ATOM 3993 C CB PHE 523 . . A 1 24.518 51.825 64.769 1 7.45 ? CB PHE 523 A 1 +ATOM 3994 C CG PHE 523 . . A 1 23.72 51.305 65.945 1 5.37 ? CG PHE 523 A 1 +ATOM 3995 C CD1 PHE 523 . . A 1 24.035 50.067 66.541 1 6.23 ? CD1 PHE 523 A 1 +ATOM 3996 C CD2 PHE 523 . . A 1 22.576 52.001 66.37 1 3.83 ? CD2 PHE 523 A 1 +ATOM 3997 C CE1 PHE 523 . . A 1 23.19 49.508 67.508 1 2 ? CE1 PHE 523 A 1 +ATOM 3998 C CE2 PHE 523 . . A 1 21.724 51.438 67.331 1 7.44 ? CE2 PHE 523 A 1 +ATOM 3999 C CZ PHE 523 . . A 1 22.026 50.187 67.892 1 6.72 ? CZ PHE 523 A 1 +ATOM 4000 N N TRP 524 . . A 1 21.937 51.834 62.952 1 7.86 ? N TRP 524 A 1 +ATOM 4001 C CA TRP 524 . . A 1 20.5 51.585 62.835 1 11.1 ? CA TRP 524 A 1 +ATOM 4002 C C TRP 524 . . A 1 20.04 50.879 61.586 1 15.89 ? C TRP 524 A 1 +ATOM 4003 O O TRP 524 . . A 1 19.126 50.063 61.596 1 17.8 ? O TRP 524 A 1 +ATOM 4004 C CB TRP 524 . . A 1 19.715 52.895 62.845 1 12.61 ? CB TRP 524 A 1 +ATOM 4005 C CG TRP 524 . . A 1 19.798 53.607 64.177 1 15.47 ? CG TRP 524 A 1 +ATOM 4006 C CD1 TRP 524 . . A 1 20.569 54.758 64.435 1 15.71 ? CD1 TRP 524 A 1 +ATOM 4007 C CD2 TRP 524 . . A 1 19.075 53.306 65.356 1 18.98 ? CD2 TRP 524 A 1 +ATOM 4008 N NE1 TRP 524 . . A 1 20.342 55.184 65.697 1 20.24 ? NE1 TRP 524 A 1 +ATOM 4009 C CE2 TRP 524 . . A 1 19.442 54.362 66.316 1 19.98 ? CE2 TRP 524 A 1 +ATOM 4010 C CE3 TRP 524 . . A 1 18.15 52.319 65.742 1 19.46 ? CE3 TRP 524 A 1 +ATOM 4011 C CZ2 TRP 524 . . A 1 18.834 54.384 67.573 1 19.02 ? CZ2 TRP 524 A 1 +ATOM 4012 C CZ3 TRP 524 . . A 1 17.566 52.368 67.018 1 17.22 ? CZ3 TRP 524 A 1 +ATOM 4013 C CH2 TRP 524 . . A 1 17.898 53.396 67.915 1 18.94 ? CH2 TRP 524 A 1 +ATOM 4014 N N ASN 525 . . A 1 20.692 51.232 60.494 1 17.1 ? N ASN 525 A 1 +ATOM 4015 C CA ASN 525 . . A 1 20.282 50.645 59.219 1 16.79 ? CA ASN 525 A 1 +ATOM 4016 C C ASN 525 . . A 1 20.845 49.277 58.944 1 14.42 ? C ASN 525 A 1 +ATOM 4017 O O ASN 525 . . A 1 20.261 48.52 58.189 1 16.93 ? O ASN 525 A 1 +ATOM 4018 C CB ASN 525 . . A 1 20.606 51.587 58.051 1 17.2 ? CB ASN 525 A 1 +ATOM 4019 C CG ASN 525 . . A 1 19.745 52.837 58.125 1 18.04 ? CG ASN 525 A 1 +ATOM 4020 O OD1 ASN 525 . . A 1 18.776 52.946 58.867 1 21.34 ? OD1 ASN 525 A 1 +ATOM 4021 N ND2 ASN 525 . . A 1 20.136 53.832 57.342 1 14.58 ? ND2 ASN 525 A 1 +ATOM 4022 N N GLN 526 . . A 1 21.976 48.93 59.546 1 12.51 ? N GLN 526 A 1 +ATOM 4023 C CA GLN 526 . . A 1 22.513 47.607 59.243 1 14.28 ? CA GLN 526 A 1 +ATOM 4024 C C GLN 526 . . A 1 22.716 46.736 60.47 1 16.98 ? C GLN 526 A 1 +ATOM 4025 O O GLN 526 . . A 1 22.32 45.578 60.494 1 19.08 ? O GLN 526 A 1 +ATOM 4026 C CB GLN 526 . . A 1 23.829 47.745 58.438 1 13.48 ? CB GLN 526 A 1 +ATOM 4027 C CG GLN 526 . . A 1 23.65 48.678 57.207 1 17.9 ? CG GLN 526 A 1 +ATOM 4028 N N PHE 527 . . A 1 23.318 47.297 61.527 1 16.07 ? N PHE 527 A 1 +ATOM 4029 C CA PHE 527 . . A 1 23.563 46.421 62.686 1 16.54 ? CA PHE 527 A 1 +ATOM 4030 C C PHE 527 . . A 1 22.332 46.007 63.488 1 16.59 ? C PHE 527 A 1 +ATOM 4031 O O PHE 527 . . A 1 22.007 44.828 63.604 1 13.61 ? O PHE 527 A 1 +ATOM 4032 C CB PHE 527 . . A 1 24.655 47.012 63.596 1 14.68 ? CB PHE 527 A 1 +ATOM 4033 C CG PHE 527 . . A 1 25.076 46.046 64.677 1 10.73 ? CG PHE 527 A 1 +ATOM 4034 C CD1 PHE 527 . . A 1 25.852 44.917 64.363 1 11.88 ? CD1 PHE 527 A 1 +ATOM 4035 C CD2 PHE 527 . . A 1 24.671 46.263 66.008 1 12.72 ? CD2 PHE 527 A 1 +ATOM 4036 C CE1 PHE 527 . . A 1 26.214 44.004 65.365 1 13.01 ? CE1 PHE 527 A 1 +ATOM 4037 C CE2 PHE 527 . . A 1 25.025 45.356 67.012 1 8.78 ? CE2 PHE 527 A 1 +ATOM 4038 C CZ PHE 527 . . A 1 25.794 44.223 66.689 1 12.29 ? CZ PHE 527 A 1 +ATOM 4039 N N LEU 528 . . A 1 21.662 47.022 64.063 1 16.71 ? N LEU 528 A 1 +ATOM 4040 C CA LEU 528 . . A 1 20.475 46.833 64.892 1 14.7 ? CA LEU 528 A 1 +ATOM 4041 C C LEU 528 . . A 1 19.553 45.799 64.305 1 18.13 ? C LEU 528 A 1 +ATOM 4042 O O LEU 528 . . A 1 19.262 44.812 64.965 1 20.42 ? O LEU 528 A 1 +ATOM 4043 C CB LEU 528 . . A 1 19.785 48.171 65.282 1 15.48 ? CB LEU 528 A 1 +ATOM 4044 C CG LEU 528 . . A 1 18.899 48.182 66.562 1 17.15 ? CG LEU 528 A 1 +ATOM 4045 C CD1 LEU 528 . . A 1 17.433 47.902 66.268 1 17.51 ? CD1 LEU 528 A 1 +ATOM 4046 C CD2 LEU 528 . . A 1 19.384 47.234 67.68 1 22.24 ? CD2 LEU 528 A 1 +ATOM 4047 N N PRO 529 . . A 1 19.117 45.982 63.041 1 21.47 ? N PRO 529 A 1 +ATOM 4048 C CA PRO 529 . . A 1 18.174 45.038 62.469 1 19.45 ? CA PRO 529 A 1 +ATOM 4049 C C PRO 529 . . A 1 18.692 43.611 62.49 1 19.92 ? C PRO 529 A 1 +ATOM 4050 O O PRO 529 . . A 1 17.931 42.702 62.791 1 22.84 ? O PRO 529 A 1 +ATOM 4051 C CB PRO 529 . . A 1 17.891 45.584 61.059 1 20.48 ? CB PRO 529 A 1 +ATOM 4052 C CG PRO 529 . . A 1 18.428 47.033 61.03 1 22.9 ? CG PRO 529 A 1 +ATOM 4053 C CD PRO 529 . . A 1 19.505 47.054 62.112 1 24.83 ? CD PRO 529 A 1 +ATOM 4054 N N LYS 530 . . A 1 19.993 43.418 62.184 1 20.19 ? N LYS 530 A 1 +ATOM 4055 C CA LYS 530 . . A 1 20.52 42.043 62.197 1 21.49 ? CA LYS 530 A 1 +ATOM 4056 C C LYS 530 . . A 1 20.456 41.436 63.567 1 22.31 ? C LYS 530 A 1 +ATOM 4057 O O LYS 530 . . A 1 20.13 40.275 63.761 1 21.11 ? O LYS 530 A 1 +ATOM 4058 C CB LYS 530 . . A 1 22.023 41.919 61.863 1 24.91 ? CB LYS 530 A 1 +ATOM 4059 C CG LYS 530 . . A 1 22.412 42.144 60.399 1 33.7 ? CG LYS 530 A 1 +ATOM 4060 C CD LYS 530 . . A 1 23.846 41.645 60.116 1 35.91 ? CD LYS 530 A 1 +ATOM 4061 C CE LYS 530 . . A 1 23.982 40.107 60.198 1 38.83 ? CE LYS 530 A 1 +ATOM 4062 N NZ LYS 530 . . A 1 25.241 39.667 59.617 1 41.88 ? NZ LYS 530 A 1 +ATOM 4063 N N LEU 531 . . A 1 20.847 42.28 64.517 1 22.3 ? N LEU 531 A 1 +ATOM 4064 C CA LEU 531 . . A 1 20.876 41.865 65.898 1 18.46 ? CA LEU 531 A 1 +ATOM 4065 C C LEU 531 . . A 1 19.522 41.358 66.294 1 17.79 ? C LEU 531 A 1 +ATOM 4066 O O LEU 531 . . A 1 19.353 40.208 66.678 1 16.65 ? O LEU 531 A 1 +ATOM 4067 C CB LEU 531 . . A 1 21.411 43.01 66.772 1 17.72 ? CB LEU 531 A 1 +ATOM 4068 C CG LEU 531 . . A 1 21.552 42.671 68.27 1 15.86 ? CG LEU 531 A 1 +ATOM 4069 C CD1 LEU 531 . . A 1 22.744 43.392 68.889 1 16.38 ? CD1 LEU 531 A 1 +ATOM 4070 C CD2 LEU 531 . . A 1 20.288 43.038 69.055 1 16.82 ? CD2 LEU 531 A 1 +ATOM 4071 N N LEU 532 . . A 1 18.546 42.244 66.105 1 15.97 ? N LEU 532 A 1 +ATOM 4072 C CA LEU 532 . . A 1 17.185 41.887 66.469 1 20.58 ? CA LEU 532 A 1 +ATOM 4073 C C LEU 532 . . A 1 16.678 40.657 65.76 1 24 ? C LEU 532 A 1 +ATOM 4074 O O LEU 532 . . A 1 15.829 39.963 66.296 1 29.22 ? O LEU 532 A 1 +ATOM 4075 C CB LEU 532 . . A 1 16.181 43.042 66.267 1 15.9 ? CB LEU 532 A 1 +ATOM 4076 C CG LEU 532 . . A 1 16.396 44.267 67.183 1 18.48 ? CG LEU 532 A 1 +ATOM 4077 C CD1 LEU 532 . . A 1 15.331 45.338 66.923 1 16.5 ? CD1 LEU 532 A 1 +ATOM 4078 C CD2 LEU 532 . . A 1 16.394 43.907 68.686 1 17.77 ? CD2 LEU 532 A 1 +ATOM 4079 N N ASN 533 . . A 1 17.185 40.405 64.549 1 27.83 ? N ASN 533 A 1 +ATOM 4080 C CA ASN 533 . . A 1 16.745 39.236 63.789 1 28.48 ? CA ASN 533 A 1 +ATOM 4081 C C ASN 533 . . A 1 17.405 37.945 64.224 1 30.57 ? C ASN 533 A 1 +ATOM 4082 O O ASN 533 . . A 1 16.837 36.864 64.159 1 29.7 ? O ASN 533 A 1 +ATOM 4083 C CB ASN 533 . . A 1 17.09 39.419 62.312 1 26.73 ? CB ASN 533 A 1 +ATOM 4084 N N ALA 534 . . A 1 18.662 38.069 64.651 1 32.89 ? N ALA 534 A 1 +ATOM 4085 C CA ALA 534 . . A 1 19.349 36.857 65.054 1 36.26 ? CA ALA 534 A 1 +ATOM 4086 C C ALA 534 . . A 1 18.814 36.337 66.354 1 42.3 ? C ALA 534 A 1 +ATOM 4087 O O ALA 534 . . A 1 18.765 35.133 66.595 1 44.56 ? O ALA 534 A 1 +ATOM 4088 C CB ALA 534 . . A 1 20.852 37.072 65.222 1 32.57 ? CB ALA 534 A 1 +ATOM 4089 N N THR 535 . . A 1 18.484 37.298 67.215 1 47.29 ? N THR 535 A 1 +ATOM 4090 C CA THR 535 . . A 1 17.953 36.96 68.511 1 51.46 ? CA THR 535 A 1 +ATOM 4091 C C THR 535 . . A 1 16.502 36.487 68.376 1 53.1 ? C THR 535 A 1 +ATOM 4092 O O THR 535 . . A 1 15.627 37.055 69.04 1 57.37 ? O THR 535 A 1 +ATOM 4093 C CB THR 535 . . A 1 18.06 38.196 69.422 1 53.08 ? CB THR 535 A 1 +ATOM 4094 O OG1 THR 535 . . A 1 19.279 38.91 69.244 1 52.38 ? OG1 THR 535 A 1 +ATOM 4095 C CG2 THR 535 . . A 1 18.026 37.829 70.916 1 59.93 ? CG2 THR 535 A 1 +HETATM 4096 C C1 THA . . . B 2 6.362 71.261 69.025 1 22.38 ? C1 THA 999 A 1 +HETATM 4097 C C2 THA . . . B 2 6.697 70.955 67.712 1 25.41 ? C2 THA 999 A 1 +HETATM 4098 C C3 THA . . . B 2 5.719 70.518 66.819 1 24.66 ? C3 THA 999 A 1 +HETATM 4099 C C4 THA . . . B 2 4.351 70.381 67.26 1 21.7 ? C4 THA 999 A 1 +HETATM 4100 C C5 THA . . . B 2 4.056 70.702 68.603 1 20.76 ? C5 THA 999 A 1 +HETATM 4101 C C6 THA . . . B 2 5.053 71.136 69.468 1 18.93 ? C6 THA 999 A 1 +HETATM 4102 N N7 THA . . . B 2 6.068 70.236 65.585 1 21.62 ? N7 THA 999 A 1 +HETATM 4103 C C8 THA . . . B 2 5.207 69.821 64.683 1 20.49 ? C8 THA 999 A 1 +HETATM 4104 C C9 THA . . . B 2 3.833 69.634 64.995 1 19.83 ? C9 THA 999 A 1 +HETATM 4105 C C10 THA . . . B 2 3.396 69.933 66.309 1 17.75 ? C10 THA 999 A 1 +HETATM 4106 C C11 THA . . . B 2 5.776 69.459 63.289 1 18.3 ? C11 THA 999 A 1 +HETATM 4107 C C12 THA . . . B 2 4.736 69.363 62.145 1 20.27 ? C12 THA 999 A 1 +HETATM 4108 C C13 THA . . . B 2 3.515 68.54 62.597 1 19.36 ? C13 THA 999 A 1 +HETATM 4109 C C14 THA . . . B 2 2.86 69.177 63.848 1 21.42 ? C14 THA 999 A 1 +HETATM 4110 N N15 THA . . . B 2 2.092 69.798 66.625 1 20.69 ? N15 THA 999 A 1 +HETATM 4111 O O HOH . . . C 3 21.436 52.967 54.67 1 16.26 ? O HOH 601 A 1 +HETATM 4112 O O HOH . . . C 3 -9.713 62.939 60.08 1 9.25 ? O HOH 602 A 1 +HETATM 4113 O O HOH . . . C 3 24.198 67.851 85.549 1 70.2 ? O HOH 603 A 1 +HETATM 4114 O O HOH . . . C 3 3.897 69.768 58.109 1 2 ? O HOH 604 A 1 +HETATM 4115 O O HOH . . . C 3 -1.728 70.694 53.271 1 6.67 ? O HOH 605 A 1 +HETATM 4116 O O HOH . . . C 3 -14.301 59.527 57.034 1 6.46 ? O HOH 606 A 1 +HETATM 4117 O O HOH . . . C 3 -2.078 69.35 67.406 1 12.08 ? O HOH 607 A 1 +HETATM 4118 O O HOH . . . C 3 -6.865 62.657 65.578 1 12.95 ? O HOH 608 A 1 +HETATM 4119 O O HOH . . . C 3 0.027 70.297 60.632 1 6.46 ? O HOH 609 A 1 +HETATM 4120 O O HOH . . . C 3 -3.893 52.228 41.33 1 39.68 ? O HOH 610 A 1 +HETATM 4121 O O HOH . . . C 3 7.233 80.005 68.092 1 36.26 ? O HOH 611 A 1 +HETATM 4122 O O HOH . . . C 3 24.646 60.791 40.027 1 18.08 ? O HOH 612 A 1 +HETATM 4123 O O HOH . . . C 3 21.313 59.198 38.314 1 36.84 ? O HOH 613 A 1 +HETATM 4124 O O HOH . . . C 3 -0.421 64.062 59.32 1 12.5 ? O HOH 614 A 1 +HETATM 4125 O O HOH . . . C 3 0.001 83.914 58.002 1 43.23 ? O HOH 615 A 1 +HETATM 4126 O O HOH . . . C 3 -0.46 66.877 69.033 1 36.24 ? O HOH 616 A 1 +HETATM 4127 O O HOH . . . C 3 2.101 41.668 61.98 1 40.25 ? O HOH 617 A 1 +HETATM 4128 O O HOH . . . C 3 10.934 56.303 68.662 1 12.08 ? O HOH 618 A 1 +HETATM 4129 O O HOH . . . C 3 2.682 81.87 62.939 1 32.61 ? O HOH 619 A 1 +HETATM 4130 O O HOH . . . C 3 3.3 53.939 63.596 1 18.53 ? O HOH 620 A 1 +HETATM 4131 O O HOH . . . C 3 10.421 48.537 38.102 1 64.57 ? O HOH 621 A 1 +HETATM 4132 O O HOH . . . C 3 18.266 72.459 85.879 1 58.97 ? O HOH 622 A 1 +HETATM 4133 O O HOH . . . C 3 -1.187 96.318 44.308 1 54.71 ? O HOH 623 A 1 +HETATM 4134 O O HOH . . . C 3 10.416 69.328 59.826 1 5.83 ? O HOH 624 A 1 +HETATM 4135 O O HOH . . . C 3 -12.114 68.571 37.502 1 32.99 ? O HOH 625 A 1 +HETATM 4136 O O HOH . . . C 3 -6.304 61.451 71.954 1 42.24 ? O HOH 626 A 1 +HETATM 4137 O O HOH . . . C 3 -6.447 50.296 61.416 1 10.24 ? O HOH 627 A 1 +HETATM 4138 O O HOH . . . C 3 2.152 63.062 72.71 1 61.59 ? O HOH 628 A 1 +HETATM 4139 O O HOH . . . C 3 31.963 66.709 56.534 1 16.65 ? O HOH 629 A 1 +HETATM 4140 O O HOH . . . C 3 9.379 58.011 85.633 1 44.47 ? O HOH 630 A 1 +HETATM 4141 O O HOH . . . C 3 -7.92 58.968 44.298 1 42.11 ? O HOH 631 A 1 +HETATM 4142 O O HOH . . . C 3 9.288 57.159 35.791 1 36.44 ? O HOH 632 A 1 +HETATM 4143 O O HOH . . . C 3 -3.902 51.644 60.543 1 9.44 ? O HOH 633 A 1 +HETATM 4144 O O HOH . . . C 3 -0.179 69.329 64.529 1 24.06 ? O HOH 634 A 1 +HETATM 4145 O O HOH . . . C 3 12.302 66.886 33.785 1 33.25 ? O HOH 635 A 1 +HETATM 4146 O O HOH . . . C 3 -0.829 58.797 69.112 1 22.6 ? O HOH 636 A 1 +HETATM 4147 O O HOH . . . C 3 5.229 58.019 35.824 1 20.86 ? O HOH 637 A 1 +HETATM 4148 O O HOH . . . C 3 6.341 81.499 64.81 1 23.9 ? O HOH 638 A 1 +HETATM 4149 O O HOH . . . C 3 -12.258 64.448 59.54 1 42.34 ? O HOH 639 A 1 +HETATM 4150 O O HOH . . . C 3 7.609 52.533 56.827 1 30.17 ? O HOH 640 A 1 +HETATM 4151 O O HOH . . . C 3 24.358 57.909 56.015 1 36.95 ? O HOH 641 A 1 +HETATM 4152 O O HOH . . . C 3 5.862 63.777 80.088 1 61.65 ? O HOH 642 A 1 +HETATM 4153 O O HOH . . . C 3 0.529 71.248 68.951 1 20.34 ? O HOH 643 A 1 +HETATM 4154 O O HOH . . . C 3 11.37 63.907 35.699 1 19.83 ? O HOH 644 A 1 +HETATM 4155 O O HOH . . . C 3 2.328 91.164 54.939 1 13.04 ? O HOH 645 A 1 +HETATM 4156 O O HOH . . . C 3 -15.401 67.703 52.231 1 24.77 ? O HOH 646 A 1 +HETATM 4157 O O HOH . . . C 3 -2.176 79.106 62.623 1 32.03 ? O HOH 647 A 1 +HETATM 4158 O O HOH . . . C 3 25.329 55.453 53.425 1 40.01 ? O HOH 648 A 1 +HETATM 4159 O O HOH . . . C 3 25.021 64.798 35.997 1 30.72 ? O HOH 649 A 1 +HETATM 4160 O O HOH . . . C 3 13.669 47.295 59.66 1 45.32 ? O HOH 650 A 1 +HETATM 4161 O O HOH . . . C 3 -13.244 50.312 44.199 1 54.67 ? O HOH 651 A 1 +HETATM 4162 O O HOH . . . C 3 3.242 83.352 32.284 1 34.21 ? O HOH 652 A 1 +HETATM 4163 O O HOH . . . C 3 -5.381 58.887 37.832 1 40.03 ? O HOH 653 A 1 +HETATM 4164 O O HOH . . . C 3 12.644 49.806 33.065 1 51.32 ? O HOH 654 A 1 +HETATM 4165 O O HOH . . . C 3 7.81 76.268 61.395 1 50.53 ? O HOH 655 A 1 +HETATM 4166 O O HOH . . . C 3 -0.969 59.532 33.421 1 25.89 ? O HOH 656 A 1 +HETATM 4167 O O HOH . . . C 3 -14.849 67.281 39.525 1 42.11 ? O HOH 657 A 1 +HETATM 4168 O O HOH . . . C 3 -18.694 86.088 50.675 1 47.8 ? O HOH 658 A 1 +HETATM 4169 O O HOH . . . C 3 -15.52 83.163 31.58 1 47.06 ? O HOH 659 A 1 +HETATM 4170 O O HOH . . . C 3 21.328 50.999 53.078 1 17.17 ? O HOH 660 A 1 +HETATM 4171 O O HOH . . . C 3 18.419 92.769 62.731 1 36.34 ? O HOH 661 A 1 +HETATM 4172 O O HOH . . . C 3 29.951 58.597 85.155 1 72.74 ? O HOH 662 A 1 +HETATM 4173 O O HOH . . . C 3 20.915 62.497 36.857 1 27.46 ? O HOH 663 A 1 +HETATM 4174 O O HOH . . . C 3 23.889 59.314 35.821 1 40.76 ? O HOH 664 A 1 +HETATM 4175 O O HOH . . . C 3 -0.387 90.815 55.611 1 41.4 ? O HOH 665 A 1 +HETATM 4176 O O HOH . . . C 3 4.85 58.304 76.42 1 53.69 ? O HOH 666 A 1 +HETATM 4177 O O HOH . . . C 3 19.66 62.741 32.748 1 83.14 ? O HOH 667 A 1 +HETATM 4178 O O HOH . . . C 3 -19.347 84.392 54.165 1 37.79 ? O HOH 668 A 1 +HETATM 4179 O O HOH . . . C 3 11.705 50.605 81.909 1 43.68 ? O HOH 669 A 1 +HETATM 4180 O O HOH . . . C 3 13.043 77.224 85.64 1 50.32 ? O HOH 670 A 1 +HETATM 4181 O O HOH . . . C 3 32.987 69.879 57.554 1 28.33 ? O HOH 671 A 1 +HETATM 4182 O O HOH . . . C 3 22.971 53.558 52.37 1 84.49 ? O HOH 672 A 1 +HETATM 4183 O O HOH . . . C 3 15.23 62.617 89.723 1 55.09 ? O HOH 673 A 1 +HETATM 4184 O O HOH . . . C 3 8.378 94.303 47.727 1 56.64 ? O HOH 674 A 1 +HETATM 4185 O O HOH . . . C 3 -21.202 67.831 58.722 1 68.4 ? O HOH 675 A 1 +HETATM 4186 O O HOH . . . C 3 -11.439 84.351 57.579 1 46.3 ? O HOH 676 A 1 +HETATM 4187 O O HOH . . . C 3 16.299 59.93 32.317 1 40.67 ? O HOH 677 A 1 +HETATM 4188 O O HOH . . . C 3 3.879 46.681 60.148 1 67.54 ? O HOH 678 A 1 +HETATM 4189 O O HOH . . . C 3 17.253 64.097 87.165 1 52.19 ? O HOH 679 A 1 +HETATM 4190 O O HOH . . . C 3 19.551 31.826 68.006 1 39.5 ? O HOH 680 A 1 +HETATM 4191 O O HOH . . . C 3 23.095 67.354 48.33 1 12.96 ? O HOH 681 A 1 +HETATM 4192 O O HOH . . . C 3 -13.326 47.816 47.354 1 46.29 ? O HOH 682 A 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ASP 1 1 . . . A . n +A 1 2 ASP 2 2 . . . A . n +A 1 3 HIS 3 3 . . . A . n +A 1 4 SER 4 4 4 SER SER A . n +A 1 5 GLU 5 5 5 GLU GLU A . n +A 1 6 LEU 6 6 6 LEU LEU A . n +A 1 7 LEU 7 7 7 LEU LEU A . n +A 1 8 VAL 8 8 8 VAL VAL A . n +A 1 9 ASN 9 9 9 ASN ASN A . n +A 1 10 THR 10 10 10 THR THR A . n +A 1 11 LYS 11 11 11 LYS LYS A . n +A 1 12 SER 12 12 12 SER SER A . n +A 1 13 GLY 13 13 13 GLY GLY A . n +A 1 14 LYS 14 14 14 LYS LYS A . n +A 1 15 VAL 15 15 15 VAL VAL A . n +A 1 16 MET 16 16 16 MET MET A . n +A 1 17 GLY 17 17 17 GLY GLY A . n +A 1 18 THR 18 18 18 THR THR A . n +A 1 19 ARG 19 19 19 ARG ARG A . n +A 1 20 VAL 20 20 20 VAL VAL A . n +A 1 21 PRO 21 21 21 PRO PRO A . n +A 1 22 VAL 22 22 22 VAL VAL A . n +A 1 23 LEU 23 23 23 LEU LEU A . n +A 1 24 SER 24 24 24 SER SER A . n +A 1 25 SER 25 25 25 SER SER A . n +A 1 26 HIS 26 26 26 HIS HIS A . n +A 1 27 ILE 27 27 27 ILE ILE A . n +A 1 28 SER 28 28 28 SER SER A . n +A 1 29 ALA 29 29 29 ALA ALA A . n +A 1 30 PHE 30 30 30 PHE PHE A . n +A 1 31 LEU 31 31 31 LEU LEU A . n +A 1 32 GLY 32 32 32 GLY GLY A . n +A 1 33 ILE 33 33 33 ILE ILE A . n +A 1 34 PRO 34 34 34 PRO PRO A . n +A 1 35 PHE 35 35 35 PHE PHE A . n +A 1 36 ALA 36 36 36 ALA ALA A . n +A 1 37 GLU 37 37 37 GLU GLU A . n +A 1 38 PRO 38 38 38 PRO PRO A . n +A 1 39 PRO 39 39 39 PRO PRO A . n +A 1 40 VAL 40 40 40 VAL VAL A . n +A 1 41 GLY 41 41 41 GLY GLY A . n +A 1 42 ASN 42 42 42 ASN ASN A . n +A 1 43 MET 43 43 43 MET MET A . n +A 1 44 ARG 44 44 44 ARG ARG A . n +A 1 45 PHE 45 45 45 PHE PHE A . n +A 1 46 ARG 46 46 46 ARG ARG A . n +A 1 47 ARG 47 47 47 ARG ARG A . n +A 1 48 PRO 48 48 48 PRO PRO A . n +A 1 49 GLU 49 49 49 GLU GLU A . n +A 1 50 PRO 50 50 50 PRO PRO A . n +A 1 51 LYS 51 51 51 LYS LYS A . n +A 1 52 LYS 52 52 52 LYS LYS A . n +A 1 53 PRO 53 53 53 PRO PRO A . n +A 1 54 TRP 54 54 54 TRP TRP A . n +A 1 55 SER 55 55 55 SER SER A . n +A 1 56 GLY 56 56 56 GLY GLY A . n +A 1 57 VAL 57 57 57 VAL VAL A . n +A 1 58 TRP 58 58 58 TRP TRP A . n +A 1 59 ASN 59 59 59 ASN ASN A . n +A 1 60 ALA 60 60 60 ALA ALA A . n +A 1 61 SER 61 61 61 SER SER A . n +A 1 62 THR 62 62 62 THR THR A . n +A 1 63 TYR 63 63 63 TYR TYR A . n +A 1 64 PRO 64 64 64 PRO PRO A . n +A 1 65 ASN 65 65 65 ASN ASN A . n +A 1 66 ASN 66 66 66 ASN ASN A . n +A 1 67 CYS 67 67 67 CYS CYS A . n +A 1 68 GLN 68 68 68 GLN GLN A . n +A 1 69 GLN 69 69 69 GLN GLN A . n +A 1 70 TYR 70 70 70 TYR TYR A . n +A 1 71 VAL 71 71 71 VAL VAL A . n +A 1 72 ASP 72 72 72 ASP ASP A . n +A 1 73 GLU 73 73 73 GLU GLU A . n +A 1 74 GLN 74 74 74 GLN GLN A . n +A 1 75 PHE 75 75 75 PHE PHE A . n +A 1 76 PRO 76 76 76 PRO PRO A . n +A 1 77 GLY 77 77 77 GLY GLY A . n +A 1 78 PHE 78 78 78 PHE PHE A . n +A 1 79 SER 79 79 79 SER SER A . n +A 1 80 GLY 80 80 80 GLY GLY A . n +A 1 81 SER 81 81 81 SER SER A . n +A 1 82 GLU 82 82 82 GLU GLU A . n +A 1 83 MET 83 83 83 MET MET A . n +A 1 84 TRP 84 84 84 TRP TRP A . n +A 1 85 ASN 85 85 85 ASN ASN A . n +A 1 86 PRO 86 86 86 PRO PRO A . n +A 1 87 ASN 87 87 87 ASN ASN A . n +A 1 88 ARG 88 88 88 ARG ARG A . n +A 1 89 GLU 89 89 89 GLU GLU A . n +A 1 90 MET 90 90 90 MET MET A . n +A 1 91 SER 91 91 91 SER SER A . n +A 1 92 GLU 92 92 92 GLU GLU A . n +A 1 93 ASP 93 93 93 ASP ASP A . n +A 1 94 CYS 94 94 94 CYS CYS A . n +A 1 95 LEU 95 95 95 LEU LEU A . n +A 1 96 TYR 96 96 96 TYR TYR A . n +A 1 97 LEU 97 97 97 LEU LEU A . n +A 1 98 ASN 98 98 98 ASN ASN A . n +A 1 99 ILE 99 99 99 ILE ILE A . n +A 1 100 TRP 100 100 100 TRP TRP A . n +A 1 101 VAL 101 101 101 VAL VAL A . n +A 1 102 PRO 102 102 102 PRO PRO A . n +A 1 103 SER 103 103 103 SER SER A . n +A 1 104 PRO 104 104 104 PRO PRO A . n +A 1 105 ARG 105 105 105 ARG ARG A . n +A 1 106 PRO 106 106 106 PRO PRO A . n +A 1 107 LYS 107 107 107 LYS LYS A . n +A 1 108 SER 108 108 108 SER SER A . n +A 1 109 THR 109 109 109 THR THR A . n +A 1 110 THR 110 110 110 THR THR A . n +A 1 111 VAL 111 111 111 VAL VAL A . n +A 1 112 MET 112 112 112 MET MET A . n +A 1 113 VAL 113 113 113 VAL VAL A . n +A 1 114 TRP 114 114 114 TRP TRP A . n +A 1 115 ILE 115 115 115 ILE ILE A . n +A 1 116 TYR 116 116 116 TYR TYR A . n +A 1 117 GLY 117 117 117 GLY GLY A . n +A 1 118 GLY 118 118 118 GLY GLY A . n +A 1 119 GLY 119 119 119 GLY GLY A . n +A 1 120 PHE 120 120 120 PHE PHE A . n +A 1 121 TYR 121 121 121 TYR TYR A . n +A 1 122 SER 122 122 122 SER SER A . n +A 1 123 GLY 123 123 123 GLY GLY A . n +A 1 124 SER 124 124 124 SER SER A . n +A 1 125 SER 125 125 125 SER SER A . n +A 1 126 THR 126 126 126 THR THR A . n +A 1 127 LEU 127 127 127 LEU LEU A . n +A 1 128 ASP 128 128 128 ASP ASP A . n +A 1 129 VAL 129 129 129 VAL VAL A . n +A 1 130 TYR 130 130 130 TYR TYR A . n +A 1 131 ASN 131 131 131 ASN ASN A . n +A 1 132 GLY 132 132 132 GLY GLY A . n +A 1 133 LYS 133 133 133 LYS LYS A . n +A 1 134 TYR 134 134 134 TYR TYR A . n +A 1 135 LEU 135 135 135 LEU LEU A . n +A 1 136 ALA 136 136 136 ALA ALA A . n +A 1 137 TYR 137 137 137 TYR TYR A . n +A 1 138 THR 138 138 138 THR THR A . n +A 1 139 GLU 139 139 139 GLU GLU A . n +A 1 140 GLU 140 140 140 GLU GLU A . n +A 1 141 VAL 141 141 141 VAL VAL A . n +A 1 142 VAL 142 142 142 VAL VAL A . n +A 1 143 LEU 143 143 143 LEU LEU A . n +A 1 144 VAL 144 144 144 VAL VAL A . n +A 1 145 SER 145 145 145 SER SER A . n +A 1 146 LEU 146 146 146 LEU LEU A . n +A 1 147 SER 147 147 147 SER SER A . n +A 1 148 TYR 148 148 148 TYR TYR A . n +A 1 149 ARG 149 149 149 ARG ARG A . n +A 1 150 VAL 150 150 150 VAL VAL A . n +A 1 151 GLY 151 151 151 GLY GLY A . n +A 1 152 ALA 152 152 152 ALA ALA A . n +A 1 153 PHE 153 153 153 PHE PHE A . n +A 1 154 GLY 154 154 154 GLY GLY A . n +A 1 155 PHE 155 155 155 PHE PHE A . n +A 1 156 LEU 156 156 156 LEU LEU A . n +A 1 157 ALA 157 157 157 ALA ALA A . n +A 1 158 LEU 158 158 158 LEU LEU A . n +A 1 159 HIS 159 159 159 HIS HIS A . n +A 1 160 GLY 160 160 160 GLY GLY A . n +A 1 161 SER 161 161 161 SER SER A . n +A 1 162 GLN 162 162 162 GLN GLN A . n +A 1 163 GLU 163 163 163 GLU GLU A . n +A 1 164 ALA 164 164 164 ALA ALA A . n +A 1 165 PRO 165 165 165 PRO PRO A . n +A 1 166 GLY 166 166 166 GLY GLY A . n +A 1 167 ASN 167 167 167 ASN ASN A . n +A 1 168 VAL 168 168 168 VAL VAL A . n +A 1 169 GLY 169 169 169 GLY GLY A . n +A 1 170 LEU 170 170 170 LEU LEU A . n +A 1 171 LEU 171 171 171 LEU LEU A . n +A 1 172 ASP 172 172 172 ASP ASP A . n +A 1 173 GLN 173 173 173 GLN GLN A . n +A 1 174 ARG 174 174 174 ARG ARG A . n +A 1 175 MET 175 175 175 MET MET A . n +A 1 176 ALA 176 176 176 ALA ALA A . n +A 1 177 LEU 177 177 177 LEU LEU A . n +A 1 178 GLN 178 178 178 GLN GLN A . n +A 1 179 TRP 179 179 179 TRP TRP A . n +A 1 180 VAL 180 180 180 VAL VAL A . n +A 1 181 HIS 181 181 181 HIS HIS A . n +A 1 182 ASP 182 182 182 ASP ASP A . n +A 1 183 ASN 183 183 183 ASN ASN A . n +A 1 184 ILE 184 184 184 ILE ILE A . n +A 1 185 GLN 185 185 185 GLN GLN A . n +A 1 186 PHE 186 186 186 PHE PHE A . n +A 1 187 PHE 187 187 187 PHE PHE A . n +A 1 188 GLY 188 188 188 GLY GLY A . n +A 1 189 GLY 189 189 189 GLY GLY A . n +A 1 190 ASP 190 190 190 ASP ASP A . n +A 1 191 PRO 191 191 191 PRO PRO A . n +A 1 192 LYS 192 192 192 LYS LYS A . n +A 1 193 THR 193 193 193 THR THR A . n +A 1 194 VAL 194 194 194 VAL VAL A . n +A 1 195 THR 195 195 195 THR THR A . n +A 1 196 ILE 196 196 196 ILE ILE A . n +A 1 197 PHE 197 197 197 PHE PHE A . n +A 1 198 GLY 198 198 198 GLY GLY A . n +A 1 199 GLU 199 199 199 GLU GLU A . n +A 1 200 SER 200 200 200 SER SER A . n +A 1 201 ALA 201 201 201 ALA ALA A . n +A 1 202 GLY 202 202 202 GLY GLY A . n +A 1 203 GLY 203 203 203 GLY GLY A . n +A 1 204 ALA 204 204 204 ALA ALA A . n +A 1 205 SER 205 205 205 SER SER A . n +A 1 206 VAL 206 206 206 VAL VAL A . n +A 1 207 GLY 207 207 207 GLY GLY A . n +A 1 208 MET 208 208 208 MET MET A . n +A 1 209 HIS 209 209 209 HIS HIS A . n +A 1 210 ILE 210 210 210 ILE ILE A . n +A 1 211 LEU 211 211 211 LEU LEU A . n +A 1 212 SER 212 212 212 SER SER A . n +A 1 213 PRO 213 213 213 PRO PRO A . n +A 1 214 GLY 214 214 214 GLY GLY A . n +A 1 215 SER 215 215 215 SER SER A . n +A 1 216 ARG 216 216 216 ARG ARG A . n +A 1 217 ASP 217 217 217 ASP ASP A . n +A 1 218 LEU 218 218 218 LEU LEU A . n +A 1 219 PHE 219 219 219 PHE PHE A . n +A 1 220 ARG 220 220 220 ARG ARG A . n +A 1 221 ARG 221 221 221 ARG ARG A . n +A 1 222 ALA 222 222 222 ALA ALA A . n +A 1 223 ILE 223 223 223 ILE ILE A . n +A 1 224 LEU 224 224 224 LEU LEU A . n +A 1 225 GLN 225 225 225 GLN GLN A . n +A 1 226 SER 226 226 226 SER SER A . n +A 1 227 GLY 227 227 227 GLY GLY A . n +A 1 228 SER 228 228 228 SER SER A . n +A 1 229 PRO 229 229 229 PRO PRO A . n +A 1 230 ASN 230 230 230 ASN ASN A . n +A 1 231 CYS 231 231 231 CYS CYS A . n +A 1 232 PRO 232 232 232 PRO PRO A . n +A 1 233 TRP 233 233 233 TRP TRP A . n +A 1 234 ALA 234 234 234 ALA ALA A . n +A 1 235 SER 235 235 235 SER SER A . n +A 1 236 VAL 236 236 236 VAL VAL A . n +A 1 237 SER 237 237 237 SER SER A . n +A 1 238 VAL 238 238 238 VAL VAL A . n +A 1 239 ALA 239 239 239 ALA ALA A . n +A 1 240 GLU 240 240 240 GLU GLU A . n +A 1 241 GLY 241 241 241 GLY GLY A . n +A 1 242 ARG 242 242 242 ARG ARG A . n +A 1 243 ARG 243 243 243 ARG ARG A . n +A 1 244 ARG 244 244 244 ARG ARG A . n +A 1 245 ALA 245 245 245 ALA ALA A . n +A 1 246 VAL 246 246 246 VAL VAL A . n +A 1 247 GLU 247 247 247 GLU GLU A . n +A 1 248 LEU 248 248 248 LEU LEU A . n +A 1 249 GLY 249 249 249 GLY GLY A . n +A 1 250 ARG 250 250 250 ARG ARG A . n +A 1 251 ASN 251 251 251 ASN ASN A . n +A 1 252 LEU 252 252 252 LEU LEU A . n +A 1 253 ASN 253 253 253 ASN ASN A . n +A 1 254 CYS 254 254 254 CYS CYS A . n +A 1 255 ASN 255 255 255 ASN ASN A . n +A 1 256 LEU 256 256 256 LEU LEU A . n +A 1 257 ASN 257 257 257 ASN ASN A . n +A 1 258 SER 258 258 258 SER SER A . n +A 1 259 ASP 259 259 259 ASP ASP A . n +A 1 260 GLU 260 260 260 GLU GLU A . n +A 1 261 GLU 261 261 261 GLU GLU A . n +A 1 262 LEU 262 262 262 LEU LEU A . n +A 1 263 ILE 263 263 263 ILE ILE A . n +A 1 264 HIS 264 264 264 HIS HIS A . n +A 1 265 CYS 265 265 265 CYS CYS A . n +A 1 266 LEU 266 266 266 LEU LEU A . n +A 1 267 ARG 267 267 267 ARG ARG A . n +A 1 268 GLU 268 268 268 GLU GLU A . n +A 1 269 LYS 269 269 269 LYS LYS A . n +A 1 270 LYS 270 270 270 LYS LYS A . n +A 1 271 PRO 271 271 271 PRO PRO A . n +A 1 272 GLN 272 272 272 GLN GLN A . n +A 1 273 GLU 273 273 273 GLU GLU A . n +A 1 274 LEU 274 274 274 LEU LEU A . n +A 1 275 ILE 275 275 275 ILE ILE A . n +A 1 276 ASP 276 276 276 ASP ASP A . n +A 1 277 VAL 277 277 277 VAL VAL A . n +A 1 278 GLU 278 278 278 GLU GLU A . n +A 1 279 TRP 279 279 279 TRP TRP A . n +A 1 280 ASN 280 280 280 ASN ASN A . n +A 1 281 VAL 281 281 281 VAL VAL A . n +A 1 282 LEU 282 282 282 LEU LEU A . n +A 1 283 PRO 283 283 283 PRO PRO A . n +A 1 284 PHE 284 284 284 PHE PHE A . n +A 1 285 ASP 285 285 285 ASP ASP A . n +A 1 286 SER 286 286 286 SER SER A . n +A 1 287 ILE 287 287 287 ILE ILE A . n +A 1 288 PHE 288 288 288 PHE PHE A . n +A 1 289 ARG 289 289 289 ARG ARG A . n +A 1 290 PHE 290 290 290 PHE PHE A . n +A 1 291 SER 291 291 291 SER SER A . n +A 1 292 PHE 292 292 292 PHE PHE A . n +A 1 293 VAL 293 293 293 VAL VAL A . n +A 1 294 PRO 294 294 294 PRO PRO A . n +A 1 295 VAL 295 295 295 VAL VAL A . n +A 1 296 ILE 296 296 296 ILE ILE A . n +A 1 297 ASP 297 297 297 ASP ASP A . n +A 1 298 GLY 298 298 298 GLY GLY A . n +A 1 299 GLU 299 299 299 GLU GLU A . n +A 1 300 PHE 300 300 300 PHE PHE A . n +A 1 301 PHE 301 301 301 PHE PHE A . n +A 1 302 PRO 302 302 302 PRO PRO A . n +A 1 303 THR 303 303 303 THR THR A . n +A 1 304 SER 304 304 304 SER SER A . n +A 1 305 LEU 305 305 305 LEU LEU A . n +A 1 306 GLU 306 306 306 GLU GLU A . n +A 1 307 SER 307 307 307 SER SER A . n +A 1 308 MET 308 308 308 MET MET A . n +A 1 309 LEU 309 309 309 LEU LEU A . n +A 1 310 ASN 310 310 310 ASN ASN A . n +A 1 311 SER 311 311 311 SER SER A . n +A 1 312 GLY 312 312 312 GLY GLY A . n +A 1 313 ASN 313 313 313 ASN ASN A . n +A 1 314 PHE 314 314 314 PHE PHE A . n +A 1 315 LYS 315 315 315 LYS LYS A . n +A 1 316 LYS 316 316 316 LYS LYS A . n +A 1 317 THR 317 317 317 THR THR A . n +A 1 318 GLN 318 318 318 GLN GLN A . n +A 1 319 ILE 319 319 319 ILE ILE A . n +A 1 320 LEU 320 320 320 LEU LEU A . n +A 1 321 LEU 321 321 321 LEU LEU A . n +A 1 322 GLY 322 322 322 GLY GLY A . n +A 1 323 VAL 323 323 323 VAL VAL A . n +A 1 324 ASN 324 324 324 ASN ASN A . n +A 1 325 LYS 325 325 325 LYS LYS A . n +A 1 326 ASP 326 326 326 ASP ASP A . n +A 1 327 GLU 327 327 327 GLU GLU A . n +A 1 328 GLY 328 328 328 GLY GLY A . n +A 1 329 SER 329 329 329 SER SER A . n +A 1 330 PHE 330 330 330 PHE PHE A . n +A 1 331 PHE 331 331 331 PHE PHE A . n +A 1 332 LEU 332 332 332 LEU LEU A . n +A 1 333 LEU 333 333 333 LEU LEU A . n +A 1 334 TYR 334 334 334 TYR TYR A . n +A 1 335 GLY 335 335 335 GLY GLY A . n +A 1 336 ALA 336 336 336 ALA ALA A . n +A 1 337 PRO 337 337 337 PRO PRO A . n +A 1 338 GLY 338 338 338 GLY GLY A . n +A 1 339 PHE 339 339 339 PHE PHE A . n +A 1 340 SER 340 340 340 SER SER A . n +A 1 341 LYS 341 341 341 LYS LYS A . n +A 1 342 ASP 342 342 342 ASP ASP A . n +A 1 343 SER 343 343 343 SER SER A . n +A 1 344 GLU 344 344 344 GLU GLU A . n +A 1 345 SER 345 345 345 SER SER A . n +A 1 346 LYS 346 346 346 LYS LYS A . n +A 1 347 ILE 347 347 347 ILE ILE A . n +A 1 348 SER 348 348 348 SER SER A . n +A 1 349 ARG 349 349 349 ARG ARG A . n +A 1 350 GLU 350 350 350 GLU GLU A . n +A 1 351 ASP 351 351 351 ASP ASP A . n +A 1 352 PHE 352 352 352 PHE PHE A . n +A 1 353 MET 353 353 353 MET MET A . n +A 1 354 SER 354 354 354 SER SER A . n +A 1 355 GLY 355 355 355 GLY GLY A . n +A 1 356 VAL 356 356 356 VAL VAL A . n +A 1 357 LYS 357 357 357 LYS LYS A . n +A 1 358 LEU 358 358 358 LEU LEU A . n +A 1 359 SER 359 359 359 SER SER A . n +A 1 360 VAL 360 360 360 VAL VAL A . n +A 1 361 PRO 361 361 361 PRO PRO A . n +A 1 362 HIS 362 362 362 HIS HIS A . n +A 1 363 ALA 363 363 363 ALA ALA A . n +A 1 364 ASN 364 364 364 ASN ASN A . n +A 1 365 ASP 365 365 365 ASP ASP A . n +A 1 366 LEU 366 366 366 LEU LEU A . n +A 1 367 GLY 367 367 367 GLY GLY A . n +A 1 368 LEU 368 368 368 LEU LEU A . n +A 1 369 ASP 369 369 369 ASP ASP A . n +A 1 370 ALA 370 370 370 ALA ALA A . n +A 1 371 VAL 371 371 371 VAL VAL A . n +A 1 372 THR 372 372 372 THR THR A . n +A 1 373 LEU 373 373 373 LEU LEU A . n +A 1 374 GLN 374 374 374 GLN GLN A . n +A 1 375 TYR 375 375 375 TYR TYR A . n +A 1 376 THR 376 376 376 THR THR A . n +A 1 377 ASP 377 377 377 ASP ASP A . n +A 1 378 TRP 378 378 378 TRP TRP A . n +A 1 379 MET 379 379 379 MET MET A . n +A 1 380 ASP 380 380 380 ASP ASP A . n +A 1 381 ASP 381 381 381 ASP ASP A . n +A 1 382 ASN 382 382 382 ASN ASN A . n +A 1 383 ASN 383 383 383 ASN ASN A . n +A 1 384 GLY 384 384 384 GLY GLY A . n +A 1 385 ILE 385 385 385 ILE ILE A . n +A 1 386 LYS 386 386 386 LYS LYS A . n +A 1 387 ASN 387 387 387 ASN ASN A . n +A 1 388 ARG 388 388 388 ARG ARG A . n +A 1 389 ASP 389 389 389 ASP ASP A . n +A 1 390 GLY 390 390 390 GLY GLY A . n +A 1 391 LEU 391 391 391 LEU LEU A . n +A 1 392 ASP 392 392 392 ASP ASP A . n +A 1 393 ASP 393 393 393 ASP ASP A . n +A 1 394 ILE 394 394 394 ILE ILE A . n +A 1 395 VAL 395 395 395 VAL VAL A . n +A 1 396 GLY 396 396 396 GLY GLY A . n +A 1 397 ASP 397 397 397 ASP ASP A . n +A 1 398 HIS 398 398 398 HIS HIS A . n +A 1 399 ASN 399 399 399 ASN ASN A . n +A 1 400 VAL 400 400 400 VAL VAL A . n +A 1 401 ILE 401 401 401 ILE ILE A . n +A 1 402 CYS 402 402 402 CYS CYS A . n +A 1 403 PRO 403 403 403 PRO PRO A . n +A 1 404 LEU 404 404 404 LEU LEU A . n +A 1 405 MET 405 405 405 MET MET A . n +A 1 406 HIS 406 406 406 HIS HIS A . n +A 1 407 PHE 407 407 407 PHE PHE A . n +A 1 408 VAL 408 408 408 VAL VAL A . n +A 1 409 ASN 409 409 409 ASN ASN A . n +A 1 410 LYS 410 410 410 LYS LYS A . n +A 1 411 TYR 411 411 411 TYR TYR A . n +A 1 412 THR 412 412 412 THR THR A . n +A 1 413 LYS 413 413 413 LYS LYS A . n +A 1 414 PHE 414 414 414 PHE PHE A . n +A 1 415 GLY 415 415 415 GLY GLY A . n +A 1 416 ASN 416 416 416 ASN ASN A . n +A 1 417 GLY 417 417 417 GLY GLY A . n +A 1 418 THR 418 418 418 THR THR A . n +A 1 419 TYR 419 419 419 TYR TYR A . n +A 1 420 LEU 420 420 420 LEU LEU A . n +A 1 421 TYR 421 421 421 TYR TYR A . n +A 1 422 PHE 422 422 422 PHE PHE A . n +A 1 423 PHE 423 423 423 PHE PHE A . n +A 1 424 ASN 424 424 424 ASN ASN A . n +A 1 425 HIS 425 425 425 HIS HIS A . n +A 1 426 ARG 426 426 426 ARG ARG A . n +A 1 427 ALA 427 427 427 ALA ALA A . n +A 1 428 SER 428 428 428 SER SER A . n +A 1 429 ASN 429 429 429 ASN ASN A . n +A 1 430 LEU 430 430 430 LEU LEU A . n +A 1 431 VAL 431 431 431 VAL VAL A . n +A 1 432 TRP 432 432 432 TRP TRP A . n +A 1 433 PRO 433 433 433 PRO PRO A . n +A 1 434 GLU 434 434 434 GLU GLU A . n +A 1 435 TRP 435 435 435 TRP TRP A . n +A 1 436 MET 436 436 436 MET MET A . n +A 1 437 GLY 437 437 437 GLY GLY A . n +A 1 438 VAL 438 438 438 VAL VAL A . n +A 1 439 ILE 439 439 439 ILE ILE A . n +A 1 440 HIS 440 440 440 HIS HIS A . n +A 1 441 GLY 441 441 441 GLY GLY A . n +A 1 442 TYR 442 442 442 TYR TYR A . n +A 1 443 GLU 443 443 443 GLU GLU A . n +A 1 444 ILE 444 444 444 ILE ILE A . n +A 1 445 GLU 445 445 445 GLU GLU A . n +A 1 446 PHE 446 446 446 PHE PHE A . n +A 1 447 VAL 447 447 447 VAL VAL A . n +A 1 448 PHE 448 448 448 PHE PHE A . n +A 1 449 GLY 449 449 449 GLY GLY A . n +A 1 450 LEU 450 450 450 LEU LEU A . n +A 1 451 PRO 451 451 451 PRO PRO A . n +A 1 452 LEU 452 452 452 LEU LEU A . n +A 1 453 VAL 453 453 453 VAL VAL A . n +A 1 454 LYS 454 454 454 LYS LYS A . n +A 1 455 GLU 455 455 455 GLU GLU A . n +A 1 456 LEU 456 456 456 LEU LEU A . n +A 1 457 ASN 457 457 457 ASN ASN A . n +A 1 458 TYR 458 458 458 TYR TYR A . n +A 1 459 THR 459 459 459 THR THR A . n +A 1 460 ALA 460 460 460 ALA ALA A . n +A 1 461 GLU 461 461 461 GLU GLU A . n +A 1 462 GLU 462 462 462 GLU GLU A . n +A 1 463 GLU 463 463 463 GLU GLU A . n +A 1 464 ALA 464 464 464 ALA ALA A . n +A 1 465 LEU 465 465 465 LEU LEU A . n +A 1 466 SER 466 466 466 SER SER A . n +A 1 467 ARG 467 467 467 ARG ARG A . n +A 1 468 ARG 468 468 468 ARG ARG A . n +A 1 469 ILE 469 469 469 ILE ILE A . n +A 1 470 MET 470 470 470 MET MET A . n +A 1 471 HIS 471 471 471 HIS HIS A . n +A 1 472 TYR 472 472 472 TYR TYR A . n +A 1 473 TRP 473 473 473 TRP TRP A . n +A 1 474 ALA 474 474 474 ALA ALA A . n +A 1 475 THR 475 475 475 THR THR A . n +A 1 476 PHE 476 476 476 PHE PHE A . n +A 1 477 ALA 477 477 477 ALA ALA A . n +A 1 478 LYS 478 478 478 LYS LYS A . n +A 1 479 THR 479 479 479 THR THR A . n +A 1 480 GLY 480 480 480 GLY GLY A . n +A 1 481 ASN 481 481 481 ASN ASN A . n +A 1 482 PRO 482 482 482 PRO PRO A . n +A 1 483 ASN 483 483 483 ASN ASN A . n +A 1 484 GLU 484 484 484 GLU GLU A . n +A 1 485 PRO 485 485 485 PRO PRO A . n +A 1 486 HIS 486 486 . . . A . n +A 1 487 SER 487 487 . . . A . n +A 1 488 GLN 488 488 . . . A . n +A 1 489 GLU 489 489 . . . A . n +A 1 490 SER 490 490 490 SER SER A . n +A 1 491 LYS 491 491 491 LYS LYS A . n +A 1 492 TRP 492 492 492 TRP TRP A . n +A 1 493 PRO 493 493 493 PRO PRO A . n +A 1 494 LEU 494 494 494 LEU LEU A . n +A 1 495 PHE 495 495 495 PHE PHE A . n +A 1 496 THR 496 496 496 THR THR A . n +A 1 497 THR 497 497 497 THR THR A . n +A 1 498 LYS 498 498 498 LYS LYS A . n +A 1 499 GLU 499 499 499 GLU GLU A . n +A 1 500 GLN 500 500 500 GLN GLN A . n +A 1 501 LYS 501 501 501 LYS LYS A . n +A 1 502 PHE 502 502 502 PHE PHE A . n +A 1 503 ILE 503 503 503 ILE ILE A . n +A 1 504 ASP 504 504 504 ASP ASP A . n +A 1 505 LEU 505 505 505 LEU LEU A . n +A 1 506 ASN 506 506 506 ASN ASN A . n +A 1 507 THR 507 507 507 THR THR A . n +A 1 508 GLU 508 508 508 GLU GLU A . n +A 1 509 PRO 509 509 509 PRO PRO A . n +A 1 510 MET 510 510 510 MET MET A . n +A 1 511 LYS 511 511 511 LYS LYS A . n +A 1 512 VAL 512 512 512 VAL VAL A . n +A 1 513 HIS 513 513 513 HIS HIS A . n +A 1 514 GLN 514 514 514 GLN GLN A . n +A 1 515 ARG 515 515 515 ARG ARG A . n +A 1 516 LEU 516 516 516 LEU LEU A . n +A 1 517 ARG 517 517 517 ARG ARG A . n +A 1 518 VAL 518 518 518 VAL VAL A . n +A 1 519 GLN 519 519 519 GLN GLN A . n +A 1 520 MET 520 520 520 MET MET A . n +A 1 521 CYS 521 521 521 CYS CYS A . n +A 1 522 VAL 522 522 522 VAL VAL A . n +A 1 523 PHE 523 523 523 PHE PHE A . n +A 1 524 TRP 524 524 524 TRP TRP A . n +A 1 525 ASN 525 525 525 ASN ASN A . n +A 1 526 GLN 526 526 526 GLN GLN A . n +A 1 527 PHE 527 527 527 PHE PHE A . n +A 1 528 LEU 528 528 528 LEU LEU A . n +A 1 529 PRO 529 529 529 PRO PRO A . n +A 1 530 LYS 530 530 530 LYS LYS A . n +A 1 531 LEU 531 531 531 LEU LEU A . n +A 1 532 LEU 532 532 532 LEU LEU A . n +A 1 533 ASN 533 533 533 ASN ASN A . n +A 1 534 ALA 534 534 534 ALA ALA A . n +A 1 535 THR 535 535 535 THR THR A . n +A 1 536 GLU 536 536 . . . A . n +A 1 537 THR 537 537 . . . A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 THA A 1 999 999 THA THA . +C 3 HOH A 1 601 601 HOH HOH . +C 3 HOH A 2 602 602 HOH HOH . +C 3 HOH A 3 603 603 HOH HOH . +C 3 HOH A 4 604 604 HOH HOH . +C 3 HOH A 5 605 605 HOH HOH . +C 3 HOH A 6 606 606 HOH HOH . +C 3 HOH A 7 607 607 HOH HOH . +C 3 HOH A 8 608 608 HOH HOH . +C 3 HOH A 9 609 609 HOH HOH . +C 3 HOH A 10 610 610 HOH HOH . +C 3 HOH A 11 611 611 HOH HOH . +C 3 HOH A 12 612 612 HOH HOH . +C 3 HOH A 13 613 613 HOH HOH . +C 3 HOH A 14 614 614 HOH HOH . +C 3 HOH A 15 615 615 HOH HOH . +C 3 HOH A 16 616 616 HOH HOH . +C 3 HOH A 17 617 617 HOH HOH . +C 3 HOH A 18 618 618 HOH HOH . +C 3 HOH A 19 619 619 HOH HOH . +C 3 HOH A 20 620 620 HOH HOH . +C 3 HOH A 21 621 621 HOH HOH . +C 3 HOH A 22 622 622 HOH HOH . +C 3 HOH A 23 623 623 HOH HOH . +C 3 HOH A 24 624 624 HOH HOH . +C 3 HOH A 25 625 625 HOH HOH . +C 3 HOH A 26 626 626 HOH HOH . +C 3 HOH A 27 627 627 HOH HOH . +C 3 HOH A 28 628 628 HOH HOH . +C 3 HOH A 29 629 629 HOH HOH . +C 3 HOH A 30 630 630 HOH HOH . +C 3 HOH A 31 631 631 HOH HOH . +C 3 HOH A 32 632 632 HOH HOH . +C 3 HOH A 33 633 633 HOH HOH . +C 3 HOH A 34 634 634 HOH HOH . +C 3 HOH A 35 635 635 HOH HOH . +C 3 HOH A 36 636 636 HOH HOH . +C 3 HOH A 37 637 637 HOH HOH . +C 3 HOH A 38 638 638 HOH HOH . +C 3 HOH A 39 639 639 HOH HOH . +C 3 HOH A 40 640 640 HOH HOH . +C 3 HOH A 41 641 641 HOH HOH . +C 3 HOH A 42 642 642 HOH HOH . +C 3 HOH A 43 643 643 HOH HOH . +C 3 HOH A 44 644 644 HOH HOH . +C 3 HOH A 45 645 645 HOH HOH . +C 3 HOH A 46 646 646 HOH HOH . +C 3 HOH A 47 647 647 HOH HOH . +C 3 HOH A 48 648 648 HOH HOH . +C 3 HOH A 49 649 649 HOH HOH . +C 3 HOH A 50 650 650 HOH HOH . +C 3 HOH A 51 651 651 HOH HOH . +C 3 HOH A 52 652 652 HOH HOH . +C 3 HOH A 53 653 653 HOH HOH . +C 3 HOH A 54 654 654 HOH HOH . +C 3 HOH A 55 655 655 HOH HOH . +C 3 HOH A 56 656 656 HOH HOH . +C 3 HOH A 57 657 657 HOH HOH . +C 3 HOH A 58 658 658 HOH HOH . +C 3 HOH A 59 659 659 HOH HOH . +C 3 HOH A 60 660 660 HOH HOH . +C 3 HOH A 61 661 661 HOH HOH . +C 3 HOH A 62 662 662 HOH HOH . +C 3 HOH A 63 663 663 HOH HOH . +C 3 HOH A 64 664 664 HOH HOH . +C 3 HOH A 65 665 665 HOH HOH . +C 3 HOH A 66 666 666 HOH HOH . +C 3 HOH A 67 667 667 HOH HOH . +C 3 HOH A 68 668 668 HOH HOH . +C 3 HOH A 69 669 669 HOH HOH . +C 3 HOH A 70 670 670 HOH HOH . +C 3 HOH A 71 671 671 HOH HOH . +C 3 HOH A 72 672 672 HOH HOH . +C 3 HOH A 73 673 673 HOH HOH . +C 3 HOH A 74 674 674 HOH HOH . +C 3 HOH A 75 675 675 HOH HOH . +C 3 HOH A 76 676 676 HOH HOH . +C 3 HOH A 77 677 677 HOH HOH . +C 3 HOH A 78 678 678 HOH HOH . +C 3 HOH A 79 679 679 HOH HOH . +C 3 HOH A 80 680 680 HOH HOH . +C 3 HOH A 81 681 681 HOH HOH . +C 3 HOH A 82 682 682 HOH HOH . +# +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B,C +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 2940 . +1 MORE -12 . +1 'SSA (A^2)' 35930 . +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1 0 0 0 1 0 0 0 1 0 0 0 +2 'crystal symmetry operation' 4_556 y,x,-z+1 -0.5 0.866025 0 0.866025 0.5 0 0 0 -1 0 0 138.1 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1994-08-31 +2 'Structure model' 1 1 2008-03-03 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2016-06-29 +5 'Structure model' 1 4 2021-08-25 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +_pdbx_audit_revision_details.details . +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Derived calculations' +4 5 'Structure model' 'Database references' +5 5 'Structure model' 'Derived calculations' +6 5 'Structure model' Other +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 5 'Structure model' database_2 +2 5 'Structure model' pdbx_database_status +3 5 'Structure model' struct_site +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 5 'Structure model' '_database_2.pdbx_DOI' +2 5 'Structure model' '_database_2.pdbx_database_accession' +3 5 'Structure model' '_pdbx_database_status.process_site' +4 5 'Structure model' '_struct_site.pdbx_auth_asym_id' +5 5 'Structure model' '_struct_site.pdbx_auth_comp_id' +6 5 'Structure model' '_struct_site.pdbx_auth_seq_id' +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +'model building' . . X-PLOR . . 1 +refinement . . X-PLOR . . 2 +phasing . . X-PLOR . . 3 +# +_pdbx_entry_details.entry_id 1ACJ +_pdbx_entry_details.compound_details . +_pdbx_entry_details.source_details . +_pdbx_entry_details.nonpolymer_details 'RESIDUE THA 999 IS BOUND NON-COVALENTLY IN THE ACTIVE SITE.' +_pdbx_entry_details.sequence_details . +_pdbx_entry_details.has_ligand_of_interest . +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 CE2 A TRP 54 . . CD2 A TRP 54 . . 1.485 1.409 0.076 0.012 N +2 1 CG A HIS 159 . . CD2 A HIS 159 . . 1.414 1.354 0.06 0.009000000000000001 N +3 1 CE2 A TRP 179 . . CD2 A TRP 179 . . 1.488 1.409 0.079 0.012 N +4 1 CG A HIS 181 . . CD2 A HIS 181 . . 1.42 1.354 0.066 0.009000000000000001 N +5 1 CG A HIS 209 . . CD2 A HIS 209 . . 1.418 1.354 0.064 0.009000000000000001 N +6 1 CE2 A TRP 233 . . CD2 A TRP 233 . . 1.486 1.409 0.077 0.012 N +7 1 CG A HIS 264 . . CD2 A HIS 264 . . 1.422 1.354 0.068 0.009000000000000001 N +8 1 CE2 A TRP 279 . . CD2 A TRP 279 . . 1.488 1.409 0.079 0.012 N +9 1 CG A HIS 362 . . CD2 A HIS 362 . . 1.411 1.354 0.057 0.009000000000000001 N +10 1 CG A HIS 398 . . CD2 A HIS 398 . . 1.42 1.354 0.066 0.009000000000000001 N +11 1 CG A HIS 406 . . CD2 A HIS 406 . . 1.414 1.354 0.06 0.009000000000000001 N +12 1 CG A HIS 425 . . CD2 A HIS 425 . . 1.414 1.354 0.06 0.009000000000000001 N +13 1 CE2 A TRP 432 . . CD2 A TRP 432 . . 1.483 1.409 0.074 0.012 N +14 1 CE2 A TRP 435 . . CD2 A TRP 435 . . 1.484 1.409 0.075 0.012 N +15 1 CG A HIS 440 . . CD2 A HIS 440 . . 1.418 1.354 0.064 0.009000000000000001 N +16 1 CG A HIS 471 . . CD2 A HIS 471 . . 1.415 1.354 0.061 0.009000000000000001 N +17 1 CE2 A TRP 473 . . CD2 A TRP 473 . . 1.481 1.409 0.07200000000000001 0.012 N +18 1 CG A HIS 513 . . CD2 A HIS 513 . . 1.417 1.354 0.063 0.009000000000000001 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 NE A ARG 47 . . CZ A ARG 47 . . NH1 A ARG 47 . . 124.59 120.30000000000001 4.29 0.5 N +2 1 NE A ARG 47 . . CZ A ARG 47 . . NH2 A ARG 47 . . 112.62 120.30000000000001 -7.68 0.5 N +3 1 NE A ARG 216 . . CZ A ARG 216 . . NH2 A ARG 216 . . 116.98 120.30000000000001 -3.3200000000000003 0.5 N +4 1 NE A ARG 267 . . CZ A ARG 267 . . NH1 A ARG 267 . . 123.38000000000001 120.30000000000001 3.08 0.5 N +5 1 N A SER 343 . . CA A SER 343 . . CB A SER 343 . . 101.02 110.5 -9.48 1.5 N +6 1 CB A PHE 414 . . CG A PHE 414 . . CD2 A PHE 414 . . 114.47 120.80000000000001 -6.33 0.7000000000000001 N +7 1 CB A PHE 414 . . CG A PHE 414 . . CD1 A PHE 414 . . 128.77 120.80000000000001 7.97 0.7000000000000001 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 GLU A 5 . . 82.74 -54.44 +2 1 LEU A 23 . . 58.24 -117.52 +3 1 SER A 25 . . -130.9 -148.71 +4 1 PHE A 45 . . 77.9 -13 +5 1 ALA A 60 . . -114.64 54.33 +6 1 CYS A 94 . . -140.13 10.02 +7 1 PHE A 120 . . 71.73 -7.55 +8 1 HIS A 159 . . -18.740000000000002 -71.17 +9 1 ASN A 167 . . 45.27 18.23 +10 1 ASN A 183 . . -150.41 -2.07 +11 1 THR A 193 . . -142.72 51.160000000000004 +12 1 SER A 200 . . 61.050000000000004 -122.35000000000001 +13 1 ARG A 220 . . -99.61 -67.37 +14 1 GLU A 299 . . -107.66 -76.18 +15 1 ASP A 326 . . -116.39 78.45 +16 1 SER A 329 . . -24.13 -63.42 +17 1 SER A 345 . . 30.02 69.41 +18 1 VAL A 360 . . -118.47 65.15 +19 1 ASP A 380 . . -162.16 30.810000000000002 +20 1 ASP A 381 . . -23.32 -55.24 +21 1 VAL A 400 . . -133.32 -54.2 +22 1 ASN A 416 . . -109.87 40.81 +23 1 LYS A 498 . . -69.78 -73.98 +24 1 GLN A 500 . . -63.7 73.98 +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.label_alt_id +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 TYR A 442 . . 0.063 'SIDE CHAIN' +2 1 TYR A 458 . . 0.07 'SIDE CHAIN' +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A ARG 19 . NE . A ARG 19 NE +2 1 Y 1 A ARG 19 . CZ . A ARG 19 CZ +3 1 Y 1 A ARG 19 . NH1 . A ARG 19 NH1 +4 1 Y 1 A ARG 19 . NH2 . A ARG 19 NH2 +5 1 Y 1 A HIS 26 . CG . A HIS 26 CG +6 1 Y 1 A HIS 26 . ND1 . A HIS 26 ND1 +7 1 Y 1 A HIS 26 . CD2 . A HIS 26 CD2 +8 1 Y 1 A HIS 26 . CE1 . A HIS 26 CE1 +9 1 Y 1 A HIS 26 . NE2 . A HIS 26 NE2 +10 1 Y 1 A ASN 42 . CG . A ASN 42 CG +11 1 Y 1 A ASN 42 . OD1 . A ASN 42 OD1 +12 1 Y 1 A ASN 42 . ND2 . A ASN 42 ND2 +13 1 Y 1 A ARG 46 . CZ . A ARG 46 CZ +14 1 Y 1 A ARG 46 . NH1 . A ARG 46 NH1 +15 1 Y 1 A ARG 46 . NH2 . A ARG 46 NH2 +16 1 Y 1 A GLN 74 . OE1 . A GLN 74 OE1 +17 1 Y 1 A GLN 74 . NE2 . A GLN 74 NE2 +18 1 Y 1 A ARG 88 . NH1 . A ARG 88 NH1 +19 1 Y 1 A ARG 88 . NH2 . A ARG 88 NH2 +20 1 Y 1 A GLU 89 . CD . A GLU 89 CD +21 1 Y 1 A GLU 89 . OE1 . A GLU 89 OE1 +22 1 Y 1 A GLU 89 . OE2 . A GLU 89 OE2 +23 1 Y 1 A LYS 107 . CG . A LYS 107 CG +24 1 Y 1 A LYS 107 . CD . A LYS 107 CD +25 1 Y 1 A LYS 107 . CE . A LYS 107 CE +26 1 Y 1 A LYS 107 . NZ . A LYS 107 NZ +27 1 Y 1 A GLN 162 . CD . A GLN 162 CD +28 1 Y 1 A GLN 162 . OE1 . A GLN 162 OE1 +29 1 Y 1 A GLN 162 . NE2 . A GLN 162 NE2 +30 1 Y 1 A GLU 163 . OE1 . A GLU 163 OE1 +31 1 Y 1 A GLU 163 . OE2 . A GLU 163 OE2 +32 1 Y 1 A ASN 253 . OD1 . A ASN 253 OD1 +33 1 Y 1 A ASN 253 . ND2 . A ASN 253 ND2 +34 1 Y 1 A ASN 257 . CG . A ASN 257 CG +35 1 Y 1 A ASN 257 . OD1 . A ASN 257 OD1 +36 1 Y 1 A ASN 257 . ND2 . A ASN 257 ND2 +37 1 Y 1 A GLU 260 . CG . A GLU 260 CG +38 1 Y 1 A GLU 260 . CD . A GLU 260 CD +39 1 Y 1 A GLU 260 . OE1 . A GLU 260 OE1 +40 1 Y 1 A GLU 260 . OE2 . A GLU 260 OE2 +41 1 Y 1 A GLU 261 . CD . A GLU 261 CD +42 1 Y 1 A GLU 261 . OE1 . A GLU 261 OE1 +43 1 Y 1 A GLU 261 . OE2 . A GLU 261 OE2 +44 1 Y 1 A GLU 268 . CD . A GLU 268 CD +45 1 Y 1 A GLU 268 . OE1 . A GLU 268 OE1 +46 1 Y 1 A GLU 268 . OE2 . A GLU 268 OE2 +47 1 Y 1 A LYS 270 . CD . A LYS 270 CD +48 1 Y 1 A LYS 270 . CE . A LYS 270 CE +49 1 Y 1 A LYS 270 . NZ . A LYS 270 NZ +50 1 Y 1 A PHE 284 . CD1 . A PHE 284 CD1 +51 1 Y 1 A PHE 284 . CD2 . A PHE 284 CD2 +52 1 Y 1 A PHE 284 . CE1 . A PHE 284 CE1 +53 1 Y 1 A PHE 284 . CE2 . A PHE 284 CE2 +54 1 Y 1 A PHE 284 . CZ . A PHE 284 CZ +55 1 Y 1 A SER 286 . OG . A SER 286 OG +56 1 Y 1 A GLU 299 . CD . A GLU 299 CD +57 1 Y 1 A GLU 299 . OE1 . A GLU 299 OE1 +58 1 Y 1 A GLU 299 . OE2 . A GLU 299 OE2 +59 1 Y 1 A ASN 310 . CG . A ASN 310 CG +60 1 Y 1 A ASN 310 . OD1 . A ASN 310 OD1 +61 1 Y 1 A ASN 310 . ND2 . A ASN 310 ND2 +62 1 Y 1 A LYS 325 . NZ . A LYS 325 NZ +63 1 Y 1 A GLU 344 . CD . A GLU 344 CD +64 1 Y 1 A GLU 344 . OE1 . A GLU 344 OE1 +65 1 Y 1 A GLU 344 . OE2 . A GLU 344 OE2 +66 1 Y 1 A GLU 350 . CD . A GLU 350 CD +67 1 Y 1 A GLU 350 . OE1 . A GLU 350 OE1 +68 1 Y 1 A GLU 350 . OE2 . A GLU 350 OE2 +69 1 Y 1 A MET 353 . SD . A MET 353 SD +70 1 Y 1 A MET 353 . CE . A MET 353 CE +71 1 Y 1 A ASP 365 . CG . A ASP 365 CG +72 1 Y 1 A ASP 365 . OD1 . A ASP 365 OD1 +73 1 Y 1 A ASP 365 . OD2 . A ASP 365 OD2 +74 1 Y 1 A ASN 382 . CG . A ASN 382 CG +75 1 Y 1 A ASN 382 . OD1 . A ASN 382 OD1 +76 1 Y 1 A ASN 382 . ND2 . A ASN 382 ND2 +77 1 Y 1 A LYS 413 . CE . A LYS 413 CE +78 1 Y 1 A LYS 413 . NZ . A LYS 413 NZ +79 1 Y 1 A GLU 434 . CD . A GLU 434 CD +80 1 Y 1 A GLU 434 . OE1 . A GLU 434 OE1 +81 1 Y 1 A GLU 434 . OE2 . A GLU 434 OE2 +82 1 Y 1 A GLU 455 . CG . A GLU 455 CG +83 1 Y 1 A GLU 455 . CD . A GLU 455 CD +84 1 Y 1 A GLU 455 . OE1 . A GLU 455 OE1 +85 1 Y 1 A GLU 455 . OE2 . A GLU 455 OE2 +86 1 Y 1 A GLU 461 . CD . A GLU 461 CD +87 1 Y 1 A GLU 461 . OE1 . A GLU 461 OE1 +88 1 Y 1 A GLU 461 . OE2 . A GLU 461 OE2 +89 1 Y 1 A LYS 478 . CE . A LYS 478 CE +90 1 Y 1 A LYS 478 . NZ . A LYS 478 NZ +91 1 Y 1 A GLU 484 . CD . A GLU 484 CD +92 1 Y 1 A GLU 484 . OE1 . A GLU 484 OE1 +93 1 Y 1 A GLU 484 . OE2 . A GLU 484 OE2 +94 1 Y 1 A LYS 498 . CG . A LYS 498 CG +95 1 Y 1 A LYS 498 . CD . A LYS 498 CD +96 1 Y 1 A LYS 498 . CE . A LYS 498 CE +97 1 Y 1 A LYS 498 . NZ . A LYS 498 NZ +98 1 Y 1 A GLU 499 . CD . A GLU 499 CD +99 1 Y 1 A GLU 499 . OE1 . A GLU 499 OE1 +100 1 Y 1 A GLU 499 . OE2 . A GLU 499 OE2 +101 1 Y 1 A GLU 508 . CD . A GLU 508 CD +102 1 Y 1 A GLU 508 . OE1 . A GLU 508 OE1 +103 1 Y 1 A GLU 508 . OE2 . A GLU 508 OE2 +104 1 Y 1 A LYS 511 . CD . A LYS 511 CD +105 1 Y 1 A LYS 511 . CE . A LYS 511 CE +106 1 Y 1 A LYS 511 . NZ . A LYS 511 NZ +107 1 Y 1 A ARG 515 . CZ . A ARG 515 CZ +108 1 Y 1 A ARG 515 . NH1 . A ARG 515 NH1 +109 1 Y 1 A ARG 515 . NH2 . A ARG 515 NH2 +110 1 Y 1 A GLN 526 . CD . A GLN 526 CD +111 1 Y 1 A GLN 526 . OE1 . A GLN 526 OE1 +112 1 Y 1 A GLN 526 . NE2 . A GLN 526 NE2 +113 1 Y 1 A ASN 533 . CG . A ASN 533 CG +114 1 Y 1 A ASN 533 . OD1 . A ASN 533 OD1 +115 1 Y 1 A ASN 533 . ND2 . A ASN 533 ND2 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 y 1 1 A ASP 1 ? A ASP 1 +2 y 1 1 A ASP 2 ? A ASP 2 +3 y 1 1 A HIS 3 ? A HIS 3 +4 y 1 1 A HIS 486 ? A HIS 486 +5 y 1 1 A SER 487 ? A SER 487 +6 y 1 1 A GLN 488 ? A GLN 488 +7 y 1 1 A GLU 489 ? A GLU 489 +8 y 1 1 A GLU 536 ? A GLU 536 +9 y 1 1 A THR 537 ? A THR 537 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.name +2 THA TACRINE +3 HOH water # -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 36 +_model_server_stats.io_time_ms 5 +_model_server_stats.parse_time_ms 54 +_model_server_stats.create_model_time_ms 37 +_model_server_stats.query_time_ms 234 +_model_server_stats.encode_time_ms 110 +_model_server_stats.element_count 4192 # diff --git a/src/test/resources/cif/1acj.cif b/src/test/resources/cif/1acj.cif index 79d49e12c..b822cdf0d 100644 --- a/src/test/resources/cif/1acj.cif +++ b/src/test/resources/cif/1acj.cif @@ -1,161 +1,119 @@ data_1ACJ # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:40:36' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id 8h2cCaTifrxASYmesQrVqw +_model_server_result.datetime_utc '2022-06-14 23:43:27' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 1acj # _entry.id 1ACJ # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.348 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer man ACETYLCHOLINESTERASE ? ? . ? ? 3.1.1.7 -2 non-polymer syn TACRINE ? ? . ? ? ? -3 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 1ACJ +wwpdb D_1000170654 # -_exptl.entry_id 1ACJ -_exptl.method 'X-ray diffraction' +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 1ACJ +_pdbx_database_status.recvd_initial_deposition_date 1993-08-18 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 SER A 79 . ASN A 85 . SER A 79 ASN A 85 1 ? 7 -HELX_P HELX_P2 2 GLY A 132 . GLU A 139 . GLY A 132 GLU A 139 1 ? 8 -HELX_P HELX_P3 3 VAL A 168 . ASN A 183 . VAL A 168 ASN A 183 1 ? 16 -HELX_P HELX_P4 4 SER A 200 . LEU A 211 . SER A 200 LEU A 211 1 ? 12 -HELX_P HELX_P5 5 VAL A 238 . LEU A 252 . VAL A 238 LEU A 252 1 ? 15 -HELX_P HELX_P6 6 ASP A 259 . GLU A 268 . ASP A 259 GLU A 268 1 ? 10 -HELX_P HELX_P7 7 PRO A 271 . GLU A 278 . PRO A 271 GLU A 278 1 ? 8 -HELX_P HELX_P8 8 LEU A 305 . SER A 311 . LEU A 305 SER A 311 1 ? 7 -HELX_P HELX_P9 9 ARG A 349 . VAL A 360 . ARG A 349 VAL A 360 1 ? 12 -HELX_P HELX_P10 10 ASP A 365 . THR A 376 . ASP A 365 THR A 376 1 ? 12 -HELX_P HELX_P11 11 GLY A 384 . TYR A 411 . GLY A 384 TYR A 411 1 ? 28 -HELX_P HELX_P12 12 GLU A 443 . PHE A 448 . GLU A 443 PHE A 448 1 ? 6 -HELX_P HELX_P13 13 ALA A 460 . THR A 479 . ALA A 460 THR A 479 1 ? 20 -HELX_P HELX_P14 14 VAL A 518 . ALA A 534 . VAL A 518 ALA A 534 1 ? 17 +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Sussman, J.L.' 1 . +'Harel, M.' 2 . +'Silman, I.' 3 . # loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -S1 1 LEU A 6 . THR A 10 . ? LEU A 6 THR A 10 -S1 2 GLY A 13 . MET A 16 . ? GLY A 13 MET A 16 -S1 3 THR A 18 . PRO A 21 . ? THR A 18 PRO A 21 -S1 4 HIS A 26 . PRO A 34 . ? HIS A 26 PRO A 34 -S1 5 VAL A 57 . ALA A 60 . ? VAL A 57 ALA A 60 -S1 6 TYR A 96 . PRO A 102 . ? TYR A 96 PRO A 102 -S1 8 THR A 109 . TYR A 116 . ? THR A 109 TYR A 116 -S1 7 VAL A 142 . SER A 147 . ? VAL A 142 SER A 147 -S1 9 THR A 193 . GLU A 199 . ? THR A 193 GLU A 199 -S1 10 ARG A 220 . SER A 226 . ? ARG A 220 SER A 226 -S1 11 GLN A 318 . GLY A 335 . ? GLN A 318 GLY A 335 -S1 12 GLY A 417 . PHE A 423 . ? GLY A 417 PHE A 423 -S2 1 PHE A 502 . LEU A 505 . ? PHE A 502 LEU A 505 -S2 2 MET A 510 . GLN A 514 . ? MET A 510 GLN A 514 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_and_software_defined_assembly -_pdbx_struct_assembly.method_details PISA -_pdbx_struct_assembly.oligomeric_details dimeric -_pdbx_struct_assembly.oligomeric_count 2 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1,2 -_pdbx_struct_assembly_gen.asym_id_list A,B,C +_citation.book_publisher +_citation.country +_citation.id +_citation.journal_abbrev +_citation.journal_id_ASTM +_citation.journal_id_CSD +_citation.journal_id_ISSN +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.title +_citation.year +_citation.pdbx_database_id_DOI +_citation.pdbx_database_id_PubMed +? US primary Proc.Natl.Acad.Sci.USA PNASA6 40 0027-8424 90 9031 9035 'Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.' 1993 10.1073/pnas.90.19.9031 8415649 +? US 1 Science SCIEAS 38 0036-8075 253 872 ? 'Atomic Structure of Acetylcholinesterase from Torpedo Californica: A Prototypic Acetylcholine-Binding Protein' 1991 ? ? # loop_ -_pdbx_struct_oper_list.id -_pdbx_struct_oper_list.type -_pdbx_struct_oper_list.name -_pdbx_struct_oper_list.symmetry_operation -_pdbx_struct_oper_list.matrix[1][1] -_pdbx_struct_oper_list.matrix[1][2] -_pdbx_struct_oper_list.matrix[1][3] -_pdbx_struct_oper_list.vector[1] -_pdbx_struct_oper_list.matrix[2][1] -_pdbx_struct_oper_list.matrix[2][2] -_pdbx_struct_oper_list.matrix[2][3] -_pdbx_struct_oper_list.vector[2] -_pdbx_struct_oper_list.matrix[3][1] -_pdbx_struct_oper_list.matrix[3][2] -_pdbx_struct_oper_list.matrix[3][3] -_pdbx_struct_oper_list.vector[3] -1 'identity operation' 1_555 x,y,z 1 0 0 0 0 1 0 0 0 0 1 0 -2 'crystal symmetry operation' 4_556 y,x,-z+1 -0.5 0.8660254038 0 0 0.8660254038 0.5 0 0 0 0 -1 138.1 +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Harel, M.' 1 +primary 'Schalk, I.' 2 +primary 'Ehret-Sabatier, L.' 3 +primary 'Bouet, F.' 4 +primary 'Goeldner, M.' 5 +primary 'Hirth, C.' 6 +primary 'Axelsen, P.H.' 7 +primary 'Silman, I.' 8 +primary 'Sussman, J.L.' 9 +1 'Sussman, J.' 10 +1 'Harel, M.' 11 +1 'Frolow, F.' 12 +1 'Oefner, C.' 13 +1 'Goldman, A.' 14 +1 'Toker, L.' 15 +1 'Silman, I.' 16 # +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 120 _cell.entry_id 1ACJ _cell.length_a 113.7 _cell.length_b 113.7 _cell.length_c 138.1 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 120 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 1ACJ -_symmetry.space_group_name_H-M 'P 31 2 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 152 -_symmetry.space_group_name_Hall ? +_symmetry.entry_id 1ACJ +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 152 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 31 2 1' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 60792.516 1 man polymer ACETYLCHOLINESTERASE 1 ? ? 3.1.1.7 +? 198.264 2 syn non-polymer TACRINE 1 ? ? ? +? 18.015 3 nat water water 82 ? ? ? # _entity_poly.entity_id 1 -_entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no +_entity_poly.type polypeptide(L) +_entity_poly.pdbx_strand_id A _entity_poly.pdbx_seq_one_letter_code ;DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSG SEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHG @@ -164,8 +122,7 @@ GRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQIL LGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNV ICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTG NPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATET -; - +; _entity_poly.pdbx_seq_one_letter_code_can ;DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSG SEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHG @@ -174,1140 +131,1037 @@ GRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQIL LGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNV ICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTG NPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATET -; - -_entity_poly.pdbx_strand_id A +; +_entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 ASP n -1 2 ASP n -1 3 HIS n -1 4 SER n -1 5 GLU n -1 6 LEU n -1 7 LEU n -1 8 VAL n -1 9 ASN n -1 10 THR n -1 11 LYS n -1 12 SER n -1 13 GLY n -1 14 LYS n -1 15 VAL n -1 16 MET n -1 17 GLY n -1 18 THR n -1 19 ARG n -1 20 VAL n -1 21 PRO n -1 22 VAL n -1 23 LEU n -1 24 SER n -1 25 SER n -1 26 HIS n -1 27 ILE n -1 28 SER n -1 29 ALA n -1 30 PHE n -1 31 LEU n -1 32 GLY n -1 33 ILE n -1 34 PRO n -1 35 PHE n -1 36 ALA n -1 37 GLU n -1 38 PRO n -1 39 PRO n -1 40 VAL n -1 41 GLY n -1 42 ASN n -1 43 MET n -1 44 ARG n -1 45 PHE n -1 46 ARG n -1 47 ARG n -1 48 PRO n -1 49 GLU n -1 50 PRO n -1 51 LYS n -1 52 LYS n -1 53 PRO n -1 54 TRP n -1 55 SER n -1 56 GLY n -1 57 VAL n -1 58 TRP n -1 59 ASN n -1 60 ALA n -1 61 SER n -1 62 THR n -1 63 TYR n -1 64 PRO n -1 65 ASN n -1 66 ASN n -1 67 CYS n -1 68 GLN n -1 69 GLN n -1 70 TYR n -1 71 VAL n -1 72 ASP n -1 73 GLU n -1 74 GLN n -1 75 PHE n -1 76 PRO n -1 77 GLY n -1 78 PHE n -1 79 SER n -1 80 GLY n -1 81 SER n -1 82 GLU n -1 83 MET n -1 84 TRP n -1 85 ASN n -1 86 PRO n -1 87 ASN n -1 88 ARG n -1 89 GLU n -1 90 MET n -1 91 SER n -1 92 GLU n -1 93 ASP n -1 94 CYS n -1 95 LEU n -1 96 TYR n -1 97 LEU n -1 98 ASN n -1 99 ILE n -1 100 TRP n -1 101 VAL n -1 102 PRO n -1 103 SER n -1 104 PRO n -1 105 ARG n -1 106 PRO n -1 107 LYS n -1 108 SER n -1 109 THR n -1 110 THR n -1 111 VAL n -1 112 MET n -1 113 VAL n -1 114 TRP n -1 115 ILE n -1 116 TYR n -1 117 GLY n -1 118 GLY n -1 119 GLY n -1 120 PHE n -1 121 TYR n -1 122 SER n -1 123 GLY n -1 124 SER n -1 125 SER n -1 126 THR n -1 127 LEU n -1 128 ASP n -1 129 VAL n -1 130 TYR n -1 131 ASN n -1 132 GLY n -1 133 LYS n -1 134 TYR n -1 135 LEU n -1 136 ALA n -1 137 TYR n -1 138 THR n -1 139 GLU n -1 140 GLU n -1 141 VAL n -1 142 VAL n -1 143 LEU n -1 144 VAL n -1 145 SER n -1 146 LEU n -1 147 SER n -1 148 TYR n -1 149 ARG n -1 150 VAL n -1 151 GLY n -1 152 ALA n -1 153 PHE n -1 154 GLY n -1 155 PHE n -1 156 LEU n -1 157 ALA n -1 158 LEU n -1 159 HIS n -1 160 GLY n -1 161 SER n -1 162 GLN n -1 163 GLU n -1 164 ALA n -1 165 PRO n -1 166 GLY n -1 167 ASN n -1 168 VAL n -1 169 GLY n -1 170 LEU n -1 171 LEU n -1 172 ASP n -1 173 GLN n -1 174 ARG n -1 175 MET n -1 176 ALA n -1 177 LEU n -1 178 GLN n -1 179 TRP n -1 180 VAL n -1 181 HIS n -1 182 ASP n -1 183 ASN n -1 184 ILE n -1 185 GLN n -1 186 PHE n -1 187 PHE n -1 188 GLY n -1 189 GLY n -1 190 ASP n -1 191 PRO n -1 192 LYS n -1 193 THR n -1 194 VAL n -1 195 THR n -1 196 ILE n -1 197 PHE n -1 198 GLY n -1 199 GLU n -1 200 SER n -1 201 ALA n -1 202 GLY n -1 203 GLY n -1 204 ALA n -1 205 SER n -1 206 VAL n -1 207 GLY n -1 208 MET n -1 209 HIS n -1 210 ILE n -1 211 LEU n -1 212 SER n -1 213 PRO n -1 214 GLY n -1 215 SER n -1 216 ARG n -1 217 ASP n -1 218 LEU n -1 219 PHE n -1 220 ARG n -1 221 ARG n -1 222 ALA n -1 223 ILE n -1 224 LEU n -1 225 GLN n -1 226 SER n -1 227 GLY n -1 228 SER n -1 229 PRO n -1 230 ASN n -1 231 CYS n -1 232 PRO n -1 233 TRP n -1 234 ALA n -1 235 SER n -1 236 VAL n -1 237 SER n -1 238 VAL n -1 239 ALA n -1 240 GLU n -1 241 GLY n -1 242 ARG n -1 243 ARG n -1 244 ARG n -1 245 ALA n -1 246 VAL n -1 247 GLU n -1 248 LEU n -1 249 GLY n -1 250 ARG n -1 251 ASN n -1 252 LEU n -1 253 ASN n -1 254 CYS n -1 255 ASN n -1 256 LEU n -1 257 ASN n -1 258 SER n -1 259 ASP n -1 260 GLU n -1 261 GLU n -1 262 LEU n -1 263 ILE n -1 264 HIS n -1 265 CYS n -1 266 LEU n -1 267 ARG n -1 268 GLU n -1 269 LYS n -1 270 LYS n -1 271 PRO n -1 272 GLN n -1 273 GLU n -1 274 LEU n -1 275 ILE n -1 276 ASP n -1 277 VAL n -1 278 GLU n -1 279 TRP n -1 280 ASN n -1 281 VAL n -1 282 LEU n -1 283 PRO n -1 284 PHE n -1 285 ASP n -1 286 SER n -1 287 ILE n -1 288 PHE n -1 289 ARG n -1 290 PHE n -1 291 SER n -1 292 PHE n -1 293 VAL n -1 294 PRO n -1 295 VAL n -1 296 ILE n -1 297 ASP n -1 298 GLY n -1 299 GLU n -1 300 PHE n -1 301 PHE n -1 302 PRO n -1 303 THR n -1 304 SER n -1 305 LEU n -1 306 GLU n -1 307 SER n -1 308 MET n -1 309 LEU n -1 310 ASN n -1 311 SER n -1 312 GLY n -1 313 ASN n -1 314 PHE n -1 315 LYS n -1 316 LYS n -1 317 THR n -1 318 GLN n -1 319 ILE n -1 320 LEU n -1 321 LEU n -1 322 GLY n -1 323 VAL n -1 324 ASN n -1 325 LYS n -1 326 ASP n -1 327 GLU n -1 328 GLY n -1 329 SER n -1 330 PHE n -1 331 PHE n -1 332 LEU n -1 333 LEU n -1 334 TYR n -1 335 GLY n -1 336 ALA n -1 337 PRO n -1 338 GLY n -1 339 PHE n -1 340 SER n -1 341 LYS n -1 342 ASP n -1 343 SER n -1 344 GLU n -1 345 SER n -1 346 LYS n -1 347 ILE n -1 348 SER n -1 349 ARG n -1 350 GLU n -1 351 ASP n -1 352 PHE n -1 353 MET n -1 354 SER n -1 355 GLY n -1 356 VAL n -1 357 LYS n -1 358 LEU n -1 359 SER n -1 360 VAL n -1 361 PRO n -1 362 HIS n -1 363 ALA n -1 364 ASN n -1 365 ASP n -1 366 LEU n -1 367 GLY n -1 368 LEU n -1 369 ASP n -1 370 ALA n -1 371 VAL n -1 372 THR n -1 373 LEU n -1 374 GLN n -1 375 TYR n -1 376 THR n -1 377 ASP n -1 378 TRP n -1 379 MET n -1 380 ASP n -1 381 ASP n -1 382 ASN n -1 383 ASN n -1 384 GLY n -1 385 ILE n -1 386 LYS n -1 387 ASN n -1 388 ARG n -1 389 ASP n -1 390 GLY n -1 391 LEU n -1 392 ASP n -1 393 ASP n -1 394 ILE n -1 395 VAL n -1 396 GLY n -1 397 ASP n -1 398 HIS n -1 399 ASN n -1 400 VAL n -1 401 ILE n -1 402 CYS n -1 403 PRO n -1 404 LEU n -1 405 MET n -1 406 HIS n -1 407 PHE n -1 408 VAL n -1 409 ASN n -1 410 LYS n -1 411 TYR n -1 412 THR n -1 413 LYS n -1 414 PHE n -1 415 GLY n -1 416 ASN n -1 417 GLY n -1 418 THR n -1 419 TYR n -1 420 LEU n -1 421 TYR n -1 422 PHE n -1 423 PHE n -1 424 ASN n -1 425 HIS n -1 426 ARG n -1 427 ALA n -1 428 SER n -1 429 ASN n -1 430 LEU n -1 431 VAL n -1 432 TRP n -1 433 PRO n -1 434 GLU n -1 435 TRP n -1 436 MET n -1 437 GLY n -1 438 VAL n -1 439 ILE n -1 440 HIS n -1 441 GLY n -1 442 TYR n -1 443 GLU n -1 444 ILE n -1 445 GLU n -1 446 PHE n -1 447 VAL n -1 448 PHE n -1 449 GLY n -1 450 LEU n -1 451 PRO n -1 452 LEU n -1 453 VAL n -1 454 LYS n -1 455 GLU n -1 456 LEU n -1 457 ASN n -1 458 TYR n -1 459 THR n -1 460 ALA n -1 461 GLU n -1 462 GLU n -1 463 GLU n -1 464 ALA n -1 465 LEU n -1 466 SER n -1 467 ARG n -1 468 ARG n -1 469 ILE n -1 470 MET n -1 471 HIS n -1 472 TYR n -1 473 TRP n -1 474 ALA n -1 475 THR n -1 476 PHE n -1 477 ALA n -1 478 LYS n -1 479 THR n -1 480 GLY n -1 481 ASN n -1 482 PRO n -1 483 ASN n -1 484 GLU n -1 485 PRO n -1 486 HIS n -1 487 SER n -1 488 GLN n -1 489 GLU n -1 490 SER n -1 491 LYS n -1 492 TRP n -1 493 PRO n -1 494 LEU n -1 495 PHE n -1 496 THR n -1 497 THR n -1 498 LYS n -1 499 GLU n -1 500 GLN n -1 501 LYS n -1 502 PHE n -1 503 ILE n -1 504 ASP n -1 505 LEU n -1 506 ASN n -1 507 THR n -1 508 GLU n -1 509 PRO n -1 510 MET n -1 511 LYS n -1 512 VAL n -1 513 HIS n -1 514 GLN n -1 515 ARG n -1 516 LEU n -1 517 ARG n -1 518 VAL n -1 519 GLN n -1 520 MET n -1 521 CYS n -1 522 VAL n -1 523 PHE n -1 524 TRP n -1 525 ASN n -1 526 GLN n -1 527 PHE n -1 528 LEU n -1 529 PRO n -1 530 LYS n -1 531 LEU n -1 532 LEU n -1 533 ASN n -1 534 ALA n -1 535 THR n -1 536 GLU n -1 537 THR n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ASP 1 +1 n ASP 2 +1 n HIS 3 +1 n SER 4 +1 n GLU 5 +1 n LEU 6 +1 n LEU 7 +1 n VAL 8 +1 n ASN 9 +1 n THR 10 +1 n LYS 11 +1 n SER 12 +1 n GLY 13 +1 n LYS 14 +1 n VAL 15 +1 n MET 16 +1 n GLY 17 +1 n THR 18 +1 n ARG 19 +1 n VAL 20 +1 n PRO 21 +1 n VAL 22 +1 n LEU 23 +1 n SER 24 +1 n SER 25 +1 n HIS 26 +1 n ILE 27 +1 n SER 28 +1 n ALA 29 +1 n PHE 30 +1 n LEU 31 +1 n GLY 32 +1 n ILE 33 +1 n PRO 34 +1 n PHE 35 +1 n ALA 36 +1 n GLU 37 +1 n PRO 38 +1 n PRO 39 +1 n VAL 40 +1 n GLY 41 +1 n ASN 42 +1 n MET 43 +1 n ARG 44 +1 n PHE 45 +1 n ARG 46 +1 n ARG 47 +1 n PRO 48 +1 n GLU 49 +1 n PRO 50 +1 n LYS 51 +1 n LYS 52 +1 n PRO 53 +1 n TRP 54 +1 n SER 55 +1 n GLY 56 +1 n VAL 57 +1 n TRP 58 +1 n ASN 59 +1 n ALA 60 +1 n SER 61 +1 n THR 62 +1 n TYR 63 +1 n PRO 64 +1 n ASN 65 +1 n ASN 66 +1 n CYS 67 +1 n GLN 68 +1 n GLN 69 +1 n TYR 70 +1 n VAL 71 +1 n ASP 72 +1 n GLU 73 +1 n GLN 74 +1 n PHE 75 +1 n PRO 76 +1 n GLY 77 +1 n PHE 78 +1 n SER 79 +1 n GLY 80 +1 n SER 81 +1 n GLU 82 +1 n MET 83 +1 n TRP 84 +1 n ASN 85 +1 n PRO 86 +1 n ASN 87 +1 n ARG 88 +1 n GLU 89 +1 n MET 90 +1 n SER 91 +1 n GLU 92 +1 n ASP 93 +1 n CYS 94 +1 n LEU 95 +1 n TYR 96 +1 n LEU 97 +1 n ASN 98 +1 n ILE 99 +1 n TRP 100 +1 n VAL 101 +1 n PRO 102 +1 n SER 103 +1 n PRO 104 +1 n ARG 105 +1 n PRO 106 +1 n LYS 107 +1 n SER 108 +1 n THR 109 +1 n THR 110 +1 n VAL 111 +1 n MET 112 +1 n VAL 113 +1 n TRP 114 +1 n ILE 115 +1 n TYR 116 +1 n GLY 117 +1 n GLY 118 +1 n GLY 119 +1 n PHE 120 +1 n TYR 121 +1 n SER 122 +1 n GLY 123 +1 n SER 124 +1 n SER 125 +1 n THR 126 +1 n LEU 127 +1 n ASP 128 +1 n VAL 129 +1 n TYR 130 +1 n ASN 131 +1 n GLY 132 +1 n LYS 133 +1 n TYR 134 +1 n LEU 135 +1 n ALA 136 +1 n TYR 137 +1 n THR 138 +1 n GLU 139 +1 n GLU 140 +1 n VAL 141 +1 n VAL 142 +1 n LEU 143 +1 n VAL 144 +1 n SER 145 +1 n LEU 146 +1 n SER 147 +1 n TYR 148 +1 n ARG 149 +1 n VAL 150 +1 n GLY 151 +1 n ALA 152 +1 n PHE 153 +1 n GLY 154 +1 n PHE 155 +1 n LEU 156 +1 n ALA 157 +1 n LEU 158 +1 n HIS 159 +1 n GLY 160 +1 n SER 161 +1 n GLN 162 +1 n GLU 163 +1 n ALA 164 +1 n PRO 165 +1 n GLY 166 +1 n ASN 167 +1 n VAL 168 +1 n GLY 169 +1 n LEU 170 +1 n LEU 171 +1 n ASP 172 +1 n GLN 173 +1 n ARG 174 +1 n MET 175 +1 n ALA 176 +1 n LEU 177 +1 n GLN 178 +1 n TRP 179 +1 n VAL 180 +1 n HIS 181 +1 n ASP 182 +1 n ASN 183 +1 n ILE 184 +1 n GLN 185 +1 n PHE 186 +1 n PHE 187 +1 n GLY 188 +1 n GLY 189 +1 n ASP 190 +1 n PRO 191 +1 n LYS 192 +1 n THR 193 +1 n VAL 194 +1 n THR 195 +1 n ILE 196 +1 n PHE 197 +1 n GLY 198 +1 n GLU 199 +1 n SER 200 +1 n ALA 201 +1 n GLY 202 +1 n GLY 203 +1 n ALA 204 +1 n SER 205 +1 n VAL 206 +1 n GLY 207 +1 n MET 208 +1 n HIS 209 +1 n ILE 210 +1 n LEU 211 +1 n SER 212 +1 n PRO 213 +1 n GLY 214 +1 n SER 215 +1 n ARG 216 +1 n ASP 217 +1 n LEU 218 +1 n PHE 219 +1 n ARG 220 +1 n ARG 221 +1 n ALA 222 +1 n ILE 223 +1 n LEU 224 +1 n GLN 225 +1 n SER 226 +1 n GLY 227 +1 n SER 228 +1 n PRO 229 +1 n ASN 230 +1 n CYS 231 +1 n PRO 232 +1 n TRP 233 +1 n ALA 234 +1 n SER 235 +1 n VAL 236 +1 n SER 237 +1 n VAL 238 +1 n ALA 239 +1 n GLU 240 +1 n GLY 241 +1 n ARG 242 +1 n ARG 243 +1 n ARG 244 +1 n ALA 245 +1 n VAL 246 +1 n GLU 247 +1 n LEU 248 +1 n GLY 249 +1 n ARG 250 +1 n ASN 251 +1 n LEU 252 +1 n ASN 253 +1 n CYS 254 +1 n ASN 255 +1 n LEU 256 +1 n ASN 257 +1 n SER 258 +1 n ASP 259 +1 n GLU 260 +1 n GLU 261 +1 n LEU 262 +1 n ILE 263 +1 n HIS 264 +1 n CYS 265 +1 n LEU 266 +1 n ARG 267 +1 n GLU 268 +1 n LYS 269 +1 n LYS 270 +1 n PRO 271 +1 n GLN 272 +1 n GLU 273 +1 n LEU 274 +1 n ILE 275 +1 n ASP 276 +1 n VAL 277 +1 n GLU 278 +1 n TRP 279 +1 n ASN 280 +1 n VAL 281 +1 n LEU 282 +1 n PRO 283 +1 n PHE 284 +1 n ASP 285 +1 n SER 286 +1 n ILE 287 +1 n PHE 288 +1 n ARG 289 +1 n PHE 290 +1 n SER 291 +1 n PHE 292 +1 n VAL 293 +1 n PRO 294 +1 n VAL 295 +1 n ILE 296 +1 n ASP 297 +1 n GLY 298 +1 n GLU 299 +1 n PHE 300 +1 n PHE 301 +1 n PRO 302 +1 n THR 303 +1 n SER 304 +1 n LEU 305 +1 n GLU 306 +1 n SER 307 +1 n MET 308 +1 n LEU 309 +1 n ASN 310 +1 n SER 311 +1 n GLY 312 +1 n ASN 313 +1 n PHE 314 +1 n LYS 315 +1 n LYS 316 +1 n THR 317 +1 n GLN 318 +1 n ILE 319 +1 n LEU 320 +1 n LEU 321 +1 n GLY 322 +1 n VAL 323 +1 n ASN 324 +1 n LYS 325 +1 n ASP 326 +1 n GLU 327 +1 n GLY 328 +1 n SER 329 +1 n PHE 330 +1 n PHE 331 +1 n LEU 332 +1 n LEU 333 +1 n TYR 334 +1 n GLY 335 +1 n ALA 336 +1 n PRO 337 +1 n GLY 338 +1 n PHE 339 +1 n SER 340 +1 n LYS 341 +1 n ASP 342 +1 n SER 343 +1 n GLU 344 +1 n SER 345 +1 n LYS 346 +1 n ILE 347 +1 n SER 348 +1 n ARG 349 +1 n GLU 350 +1 n ASP 351 +1 n PHE 352 +1 n MET 353 +1 n SER 354 +1 n GLY 355 +1 n VAL 356 +1 n LYS 357 +1 n LEU 358 +1 n SER 359 +1 n VAL 360 +1 n PRO 361 +1 n HIS 362 +1 n ALA 363 +1 n ASN 364 +1 n ASP 365 +1 n LEU 366 +1 n GLY 367 +1 n LEU 368 +1 n ASP 369 +1 n ALA 370 +1 n VAL 371 +1 n THR 372 +1 n LEU 373 +1 n GLN 374 +1 n TYR 375 +1 n THR 376 +1 n ASP 377 +1 n TRP 378 +1 n MET 379 +1 n ASP 380 +1 n ASP 381 +1 n ASN 382 +1 n ASN 383 +1 n GLY 384 +1 n ILE 385 +1 n LYS 386 +1 n ASN 387 +1 n ARG 388 +1 n ASP 389 +1 n GLY 390 +1 n LEU 391 +1 n ASP 392 +1 n ASP 393 +1 n ILE 394 +1 n VAL 395 +1 n GLY 396 +1 n ASP 397 +1 n HIS 398 +1 n ASN 399 +1 n VAL 400 +1 n ILE 401 +1 n CYS 402 +1 n PRO 403 +1 n LEU 404 +1 n MET 405 +1 n HIS 406 +1 n PHE 407 +1 n VAL 408 +1 n ASN 409 +1 n LYS 410 +1 n TYR 411 +1 n THR 412 +1 n LYS 413 +1 n PHE 414 +1 n GLY 415 +1 n ASN 416 +1 n GLY 417 +1 n THR 418 +1 n TYR 419 +1 n LEU 420 +1 n TYR 421 +1 n PHE 422 +1 n PHE 423 +1 n ASN 424 +1 n HIS 425 +1 n ARG 426 +1 n ALA 427 +1 n SER 428 +1 n ASN 429 +1 n LEU 430 +1 n VAL 431 +1 n TRP 432 +1 n PRO 433 +1 n GLU 434 +1 n TRP 435 +1 n MET 436 +1 n GLY 437 +1 n VAL 438 +1 n ILE 439 +1 n HIS 440 +1 n GLY 441 +1 n TYR 442 +1 n GLU 443 +1 n ILE 444 +1 n GLU 445 +1 n PHE 446 +1 n VAL 447 +1 n PHE 448 +1 n GLY 449 +1 n LEU 450 +1 n PRO 451 +1 n LEU 452 +1 n VAL 453 +1 n LYS 454 +1 n GLU 455 +1 n LEU 456 +1 n ASN 457 +1 n TYR 458 +1 n THR 459 +1 n ALA 460 +1 n GLU 461 +1 n GLU 462 +1 n GLU 463 +1 n ALA 464 +1 n LEU 465 +1 n SER 466 +1 n ARG 467 +1 n ARG 468 +1 n ILE 469 +1 n MET 470 +1 n HIS 471 +1 n TYR 472 +1 n TRP 473 +1 n ALA 474 +1 n THR 475 +1 n PHE 476 +1 n ALA 477 +1 n LYS 478 +1 n THR 479 +1 n GLY 480 +1 n ASN 481 +1 n PRO 482 +1 n ASN 483 +1 n GLU 484 +1 n PRO 485 +1 n HIS 486 +1 n SER 487 +1 n GLN 488 +1 n GLU 489 +1 n SER 490 +1 n LYS 491 +1 n TRP 492 +1 n PRO 493 +1 n LEU 494 +1 n PHE 495 +1 n THR 496 +1 n THR 497 +1 n LYS 498 +1 n GLU 499 +1 n GLN 500 +1 n LYS 501 +1 n PHE 502 +1 n ILE 503 +1 n ASP 504 +1 n LEU 505 +1 n ASN 506 +1 n THR 507 +1 n GLU 508 +1 n PRO 509 +1 n MET 510 +1 n LYS 511 +1 n VAL 512 +1 n HIS 513 +1 n GLN 514 +1 n ARG 515 +1 n LEU 516 +1 n ARG 517 +1 n VAL 518 +1 n GLN 519 +1 n MET 520 +1 n CYS 521 +1 n VAL 522 +1 n PHE 523 +1 n TRP 524 +1 n ASN 525 +1 n GLN 526 +1 n PHE 527 +1 n LEU 528 +1 n PRO 529 +1 n LYS 530 +1 n LEU 531 +1 n LEU 532 +1 n ASN 533 +1 n ALA 534 +1 n THR 535 +1 n GLU 536 +1 n THR 537 +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Torpedo californica' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ACES_TORCA +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P04058 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWN +ASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTE +EVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF +RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGE +FFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWM +DDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT +AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDG +ELSSSGTSSSKGIIFYVLFSILYLIF +; +_struct_ref.pdbx_db_isoform . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1ACJ +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code . +_struct_ref_seq.seq_align_end 535 +_struct_ref_seq.pdbx_seq_align_end_ins_code . +_struct_ref_seq.pdbx_db_accession P04058 +_struct_ref_seq.db_align_beg 22 +_struct_ref_seq.pdbx_db_align_beg_ins_code . +_struct_ref_seq.db_align_end 556 +_struct_ref_seq.pdbx_db_align_end_ins_code . +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 535 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? +'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? +'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? +'C13 H14 N2' 198.264 THA . TACRINE non-polymer ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? +# +_exptl.entry_id 1ACJ +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 4.24 +_exptl_crystal.density_percent_sol 70.97 +_exptl_crystal.description . +_exptl_crystal.F_000 . +_exptl_crystal.preparation . +# +_diffrn.id 1 +_diffrn.ambient_temp . +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l . +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol . +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1 +# +_refine.entry_id 1ACJ +_refine.ls_number_reflns_obs 23213 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 8 +_refine.ls_d_res_high 2.8000000000000003 +_refine.ls_percent_reflns_obs . +_refine.ls_R_factor_obs 0.195 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work 0.195 +_refine.ls_R_factor_R_free . +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free . +_refine.ls_number_reflns_R_free . +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.B_iso_mean . +_refine.aniso_B[1][1] . +_refine.aniso_B[2][2] . +_refine.aniso_B[3][3] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][3] . +_refine.solvent_model_details . +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_ls_cross_valid_method . +_refine.details +;THE STRUCTURE WAS REFINED STARTING FROM NATIVE COORDINATES +USING X-PLOR. 82 WATER MOLECULES ARE INCLUDED. +; +_refine.pdbx_starting_model . +_refine.pdbx_method_to_determine_struct . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.overall_SU_ML . +_refine.overall_SU_B . +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.ls_redundancy_reflns_obs . +_refine.pdbx_overall_phase_error . +_refine.B_iso_min . +_refine.B_iso_max . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.pdbx_solvent_vdw_probe_radii . +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii . +_refine.overall_SU_R_Cruickshank_DPI . +_refine.overall_SU_R_free . +_refine.ls_wR_factor_R_free . +_refine.ls_wR_factor_R_work . +_refine.overall_FOM_free_R_set . +_refine.overall_FOM_work_R_set . +_refine.pdbx_TLS_residual_ADP_flag . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 4095 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 15 +_refine_hist.number_atoms_solvent 82 +_refine_hist.number_atoms_total 4192 +_refine_hist.d_res_high 2.8000000000000003 +_refine_hist.d_res_low 8 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.025 . . . 'X-RAY DIFFRACTION' . +x_bond_d_na . . . . 'X-RAY DIFFRACTION' . +x_bond_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_d . . . . 'X-RAY DIFFRACTION' . +x_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_deg . . . . 'X-RAY DIFFRACTION' . +x_angle_deg_na . . . . 'X-RAY DIFFRACTION' . +x_angle_deg_prot . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_mcbond_it . . . . 'X-RAY DIFFRACTION' . +x_mcangle_it . . . . 'X-RAY DIFFRACTION' . +x_scbond_it . . . . 'X-RAY DIFFRACTION' . +x_scangle_it . . . . 'X-RAY DIFFRACTION' . +# +_struct.entry_id 1ACJ +_struct.title 'QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE' +_struct.pdbx_descriptor . +# +_struct_keywords.entry_id 1ACJ +_struct_keywords.text 'HYDROLASE(CARBOXYLIC ESTERASE)' +_struct_keywords.pdbx_keywords 'HYDROLASE(CARBOXYLIC ESTERASE)' # loop_ +_struct_asym.details +_struct_asym.entity_id _struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' -C N Y 3 'Might not contain all original atoms depending on the query used' +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +? 3 C N N +# +_struct_biol.id 1 +_struct_biol.details . +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_entity_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_auth_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.end_label_asym_id +_struct_conf.end_label_entity_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_auth_asym_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +helx_p helx_p1 SER 79 . A 1 SER 79 A ASN 85 . A 1 ASN 85 A 1 ? 7 +helx_p helx_p2 GLY 132 . A 1 GLY 132 A GLU 139 . A 1 GLU 139 A 1 ? 8 +helx_p helx_p3 VAL 168 . A 1 VAL 168 A ASN 183 . A 1 ASN 183 A 1 ? 16 +helx_p helx_p4 SER 200 . A 1 SER 200 A LEU 211 . A 1 LEU 211 A 1 ? 12 +helx_p helx_p5 VAL 238 . A 1 VAL 238 A LEU 252 . A 1 LEU 252 A 1 ? 15 +helx_p helx_p6 ASP 259 . A 1 ASP 259 A GLU 268 . A 1 GLU 268 A 1 ? 10 +helx_p helx_p7 PRO 271 . A 1 PRO 271 A GLU 278 . A 1 GLU 278 A 1 ? 8 +helx_p helx_p8 LEU 305 . A 1 LEU 305 A SER 311 . A 1 SER 311 A 1 ? 7 +helx_p helx_p9 SER 329 . A 1 SER 329 A GLY 335 . A 1 GLY 335 A 1 ? 7 +helx_p helx_p10 ARG 349 . A 1 ARG 349 A VAL 360 . A 1 VAL 360 A 1 ? 12 +helx_p helx_p11 ASP 365 . A 1 ASP 365 A THR 376 . A 1 THR 376 A 1 ? 12 +helx_p helx_p12 GLY 384 . A 1 GLY 384 A TYR 411 . A 1 TYR 411 A 1 ? 28 +helx_p helx_p13 GLU 443 . A 1 GLU 443 A PHE 448 . A 1 PHE 448 A 1 ? 6 +helx_p helx_p14 ALA 460 . A 1 ALA 460 A THR 479 . A 1 THR 479 A 1 ? 20 +helx_p helx_p15 VAL 518 . A 1 VAL 518 A ALA 534 . A 1 ALA 534 A 1 ? 17 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . # loop_ -_struct_conn.id _struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id +_struct_conn.details +_struct_conn.id _struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details +_struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order -disulf1 disulf ? A CYS 67 SG ? ? ? 1_555 A CYS 94 SG ? ? A CYS 67 A CYS 94 1_555 ? ? ? ? ? ? ? 2.040 ? -disulf2 disulf ? A CYS 254 SG ? ? ? 1_555 A CYS 265 SG ? ? A CYS 254 A CYS 265 1_555 ? ? ? ? ? ? ? 2.032 ? -disulf3 disulf ? A CYS 402 SG ? ? ? 1_555 A CYS 521 SG ? ? A CYS 402 A CYS 521 1_555 ? ? ? ? ? ? ? 2.068 ? +disulf ? disulf1 A SG CYS 67 A CYS 67 1_555 A SG CYS 94 A CYS 94 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.04 ? +disulf ? disulf2 A SG CYS 254 A CYS 254 1_555 A SG CYS 265 A CYS 265 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.032 ? +disulf ? disulf3 A SG CYS 402 A CYS 402 1_555 A SG CYS 521 A CYS 521 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.068 ? # -_struct_conn_type.id disulf _struct_conn_type.criteria ? +_struct_conn_type.id disulf _struct_conn_type.reference ? # +_struct_mon_prot_cis.pdbx_id 1 +_struct_mon_prot_cis.label_comp_id SER +_struct_mon_prot_cis.label_seq_id 103 +_struct_mon_prot_cis.label_asym_id A +_struct_mon_prot_cis.label_alt_id . +_struct_mon_prot_cis.pdbx_PDB_ins_code . +_struct_mon_prot_cis.auth_comp_id SER +_struct_mon_prot_cis.auth_seq_id 103 +_struct_mon_prot_cis.auth_asym_id A +_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_label_seq_id_2 104 +_struct_mon_prot_cis.pdbx_label_asym_id_2 A +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 . +_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_auth_seq_id_2 104 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 A +_struct_mon_prot_cis.pdbx_PDB_model_num 1 +_struct_mon_prot_cis.pdbx_omega_angle -4.12 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +S1 . 12 . +S2 . 2 . +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +S1 1 2 . anti-parallel +S1 2 3 . anti-parallel +S1 3 4 . anti-parallel +S1 4 5 . anti-parallel +S1 5 6 . anti-parallel +S1 6 7 . anti-parallel +S1 7 8 . parallel +S1 8 9 . parallel +S1 9 10 . parallel +S1 10 11 . parallel +S1 11 12 . parallel +S2 1 2 . anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_entity_id +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_entity_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_seq_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.symmetry +S1 1 LEU 6 . A 1 LEU 6 A THR 10 . A 1 THR 10 A ? +S1 2 GLY 13 . A 1 GLY 13 A MET 16 . A 1 MET 16 A ? +S1 3 THR 18 . A 1 THR 18 A PRO 21 . A 1 PRO 21 A ? +S1 4 HIS 26 . A 1 HIS 26 A PRO 34 . A 1 PRO 34 A ? +S1 5 VAL 57 . A 1 VAL 57 A ALA 60 . A 1 ALA 60 A ? +S1 6 TYR 96 . A 1 TYR 96 A PRO 102 . A 1 PRO 102 A ? +S1 7 THR 109 . A 1 THR 109 A TYR 116 . A 1 TYR 116 A ? +S1 8 VAL 142 . A 1 VAL 142 A SER 147 . A 1 SER 147 A ? +S1 9 THR 193 . A 1 THR 193 A GLU 199 . A 1 GLU 199 A ? +S1 10 ARG 220 . A 1 ARG 220 A SER 226 . A 1 SER 226 A ? +S1 11 GLN 318 . A 1 GLN 318 A GLY 328 . A 1 GLY 328 A ? +S1 12 GLY 417 . A 1 GLY 417 A PHE 423 . A 1 PHE 423 A ? +S2 13 PHE 502 . A 1 PHE 502 A LEU 505 . A 1 LEU 505 A ? +S2 14 MET 510 . A 1 MET 510 A GLN 514 . A 1 GLN 514 A ? +# +loop_ +_struct_site.details +_struct_site.id +_struct_site.pdbx_num_residues +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +? THA 4 Unknown ? ? ? ? +'BINDING SITE FOR RESIDUE THA A 999' AC1 7 Software A THA 999 ? +# loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ARG N 1 N N CA SING -ARG N 2 N N H SING -ARG N 3 N N H2 SING -ARG N 4 N CA C SING -ARG N 5 N CA CB SING -ARG N 6 N CA HA SING -ARG N 7 N C O DOUB -ARG N 8 N C OXT SING -ARG N 9 N CB CG SING -ARG N 10 N CB HB2 SING -ARG N 11 N CB HB3 SING -ARG N 12 N CG CD SING -ARG N 13 N CG HG2 SING -ARG N 14 N CG HG3 SING -ARG N 15 N CD NE SING -ARG N 16 N CD HD2 SING -ARG N 17 N CD HD3 SING -ARG N 18 N NE CZ SING -ARG N 19 N NE HE SING -ARG N 20 N CZ NH1 SING -ARG N 21 N CZ NH2 DOUB -ARG N 22 N NH1 HH11 SING -ARG N 23 N NH1 HH12 SING -ARG N 24 N NH2 HH21 SING -ARG N 25 N NH2 HH22 SING -ARG N 26 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -ASP N 1 N N CA SING -ASP N 2 N N H SING -ASP N 3 N N H2 SING -ASP N 4 N CA C SING -ASP N 5 N CA CB SING -ASP N 6 N CA HA SING -ASP N 7 N C O DOUB -ASP N 8 N C OXT SING -ASP N 9 N CB CG SING -ASP N 10 N CB HB2 SING -ASP N 11 N CB HB3 SING -ASP N 12 N CG OD1 DOUB -ASP N 13 N CG OD2 SING -ASP N 14 N OD2 HD2 SING -ASP N 15 N OXT HXT SING -CYS N 1 N N CA SING -CYS N 2 N N H SING -CYS N 3 N N H2 SING -CYS N 4 N CA C SING -CYS N 5 N CA CB SING -CYS N 6 N CA HA SING -CYS N 7 N C O DOUB -CYS N 8 N C OXT SING -CYS N 9 N CB SG SING -CYS N 10 N CB HB2 SING -CYS N 11 N CB HB3 SING -CYS N 12 N SG HG SING -CYS N 13 N OXT HXT SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HIS N 1 N N CA SING -HIS N 2 N N H SING -HIS N 3 N N H2 SING -HIS N 4 N CA C SING -HIS N 5 N CA CB SING -HIS N 6 N CA HA SING -HIS N 7 N C O DOUB -HIS N 8 N C OXT SING -HIS N 9 N CB CG SING -HIS N 10 N CB HB2 SING -HIS N 11 N CB HB3 SING -HIS N 12 Y CG ND1 SING -HIS N 13 Y CG CD2 DOUB -HIS N 14 Y ND1 CE1 DOUB -HIS N 15 N ND1 HD1 SING -HIS N 16 Y CD2 NE2 SING -HIS N 17 N CD2 HD2 SING -HIS N 18 Y CE1 NE2 SING -HIS N 19 N CE1 HE1 SING -HIS N 20 N NE2 HE2 SING -HIS N 21 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -MET N 1 N N CA SING -MET N 2 N N H SING -MET N 3 N N H2 SING -MET N 4 N CA C SING -MET N 5 N CA CB SING -MET N 6 N CA HA SING -MET N 7 N C O DOUB -MET N 8 N C OXT SING -MET N 9 N CB CG SING -MET N 10 N CB HB2 SING -MET N 11 N CB HB3 SING -MET N 12 N CG SD SING -MET N 13 N CG HG2 SING -MET N 14 N CG HG3 SING -MET N 15 N SD CE SING -MET N 16 N CE HE1 SING -MET N 17 N CE HE2 SING -MET N 18 N CE HE3 SING -MET N 19 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -PRO N 1 N N CA SING -PRO N 2 N N CD SING -PRO N 3 N N H SING -PRO N 4 N CA C SING -PRO N 5 N CA CB SING -PRO N 6 N CA HA SING -PRO N 7 N C O DOUB -PRO N 8 N C OXT SING -PRO N 9 N CB CG SING -PRO N 10 N CB HB2 SING -PRO N 11 N CB HB3 SING -PRO N 12 N CG CD SING -PRO N 13 N CG HG2 SING -PRO N 14 N CG HG3 SING -PRO N 15 N CD HD2 SING -PRO N 16 N CD HD3 SING -PRO N 17 N OXT HXT SING -SER N 1 N N CA SING -SER N 2 N N H SING -SER N 3 N N H2 SING -SER N 4 N CA C SING -SER N 5 N CA CB SING -SER N 6 N CA HA SING -SER N 7 N C O DOUB -SER N 8 N C OXT SING -SER N 9 N CB OG SING -SER N 10 N CB HB2 SING -SER N 11 N CB HB3 SING -SER N 12 N OG HG SING -SER N 13 N OXT HXT SING -THA N 1 Y C1 C2 DOUB -THA N 2 Y C1 C6 SING -THA N 3 N C1 H1 SING -THA N 4 Y C2 C3 SING -THA N 5 N C2 H2 SING -THA N 6 Y C3 C4 DOUB -THA N 7 Y C3 N7 SING -THA N 8 Y C4 C5 SING -THA N 9 Y C4 C10 SING -THA N 10 Y C5 C6 DOUB -THA N 11 N C5 H5 SING -THA N 12 N C6 H6 SING -THA N 13 Y N7 C8 DOUB -THA N 14 Y C8 C9 SING -THA N 15 N C8 C11 SING -THA N 16 Y C9 C10 DOUB -THA N 17 N C9 C14 SING -THA N 18 N C10 N15 SING -THA N 19 N C11 C12 SING -THA N 20 N C11 H111 SING -THA N 21 N C11 H112 SING -THA N 22 N C12 C13 SING -THA N 23 N C12 H121 SING -THA N 24 N C12 H122 SING -THA N 25 N C13 C14 SING -THA N 26 N C13 H131 SING -THA N 27 N C13 H132 SING -THA N 28 N C14 H141 SING -THA N 29 N C14 H142 SING -THA N 30 N N15 HN51 SING -THA N 31 N N15 HN52 SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TRP N 1 N N CA SING -TRP N 2 N N H SING -TRP N 3 N N H2 SING -TRP N 4 N CA C SING -TRP N 5 N CA CB SING -TRP N 6 N CA HA SING -TRP N 7 N C O DOUB -TRP N 8 N C OXT SING -TRP N 9 N CB CG SING -TRP N 10 N CB HB2 SING -TRP N 11 N CB HB3 SING -TRP N 12 Y CG CD1 DOUB -TRP N 13 Y CG CD2 SING -TRP N 14 Y CD1 NE1 SING -TRP N 15 N CD1 HD1 SING -TRP N 16 Y CD2 CE2 DOUB -TRP N 17 Y CD2 CE3 SING -TRP N 18 Y NE1 CE2 SING -TRP N 19 N NE1 HE1 SING -TRP N 20 Y CE2 CZ2 SING -TRP N 21 Y CE3 CZ3 DOUB -TRP N 22 N CE3 HE3 SING -TRP N 23 Y CZ2 CH2 DOUB -TRP N 24 N CZ2 HZ2 SING -TRP N 25 Y CZ3 CH2 SING -TRP N 26 N CZ3 HZ3 SING -TRP N 27 N CH2 HH2 SING -TRP N 28 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_struct_site_gen.details +_struct_site_gen.id +_struct_site_gen.label_alt_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_comp_id +_struct_site_gen.label_seq_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_seq_id +_struct_site_gen.site_id +_struct_site_gen.symmetry +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.pdbx_num_res +? 1 ? A . SER 200 A SER 200 THA 1_555 ? 4 +? 2 ? A . HIS 440 A HIS 440 THA 1_555 ? 4 +? 3 ? A . GLU 327 A GLU 327 THA 1_555 ? 4 +? 4 ? B . THA . A THA 999 THA 1_555 ? 4 +? 5 ? A . TRP 84 A TRP 84 AC1 1_555 ? 7 +? 6 ? A . GLY 118 A GLY 118 AC1 1_555 ? 7 +? 7 ? A . GLU 199 A GLU 199 AC1 1_555 ? 7 +? 8 ? A . PHE 330 A PHE 330 AC1 1_555 ? 7 +? 9 ? A . TRP 432 A TRP 432 AC1 1_555 ? 7 +? 10 ? A . HIS 440 A HIS 440 AC1 1_555 ? 7 +? 11 ? A . GLY 441 A GLY 441 AC1 1_555 ? 7 +# +_database_PDB_matrix.entry_id 1ACJ +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 1ACJ _atom_sites.fract_transf_matrix[1][1] 0.008795 _atom_sites.fract_transf_matrix[1][2] 0.005078 _atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.010156 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.007241 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 THA 1 999 999 THA THA A . -C 3 HOH 1 601 601 HOH HOH A . -C 3 HOH 2 602 602 HOH HOH A . -C 3 HOH 3 603 603 HOH HOH A . -C 3 HOH 4 604 604 HOH HOH A . -C 3 HOH 5 605 605 HOH HOH A . -C 3 HOH 6 606 606 HOH HOH A . -C 3 HOH 7 607 607 HOH HOH A . -C 3 HOH 8 608 608 HOH HOH A . -C 3 HOH 9 609 609 HOH HOH A . -C 3 HOH 10 610 610 HOH HOH A . -C 3 HOH 11 611 611 HOH HOH A . -C 3 HOH 12 612 612 HOH HOH A . -C 3 HOH 13 613 613 HOH HOH A . -C 3 HOH 14 614 614 HOH HOH A . -C 3 HOH 15 615 615 HOH HOH A . -C 3 HOH 16 616 616 HOH HOH A . -C 3 HOH 17 617 617 HOH HOH A . -C 3 HOH 18 618 618 HOH HOH A . -C 3 HOH 19 619 619 HOH HOH A . -C 3 HOH 20 620 620 HOH HOH A . -C 3 HOH 21 621 621 HOH HOH A . -C 3 HOH 22 622 622 HOH HOH A . -C 3 HOH 23 623 623 HOH HOH A . -C 3 HOH 24 624 624 HOH HOH A . -C 3 HOH 25 625 625 HOH HOH A . -C 3 HOH 26 626 626 HOH HOH A . -C 3 HOH 27 627 627 HOH HOH A . -C 3 HOH 28 628 628 HOH HOH A . -C 3 HOH 29 629 629 HOH HOH A . -C 3 HOH 30 630 630 HOH HOH A . -C 3 HOH 31 631 631 HOH HOH A . -C 3 HOH 32 632 632 HOH HOH A . -C 3 HOH 33 633 633 HOH HOH A . -C 3 HOH 34 634 634 HOH HOH A . -C 3 HOH 35 635 635 HOH HOH A . -C 3 HOH 36 636 636 HOH HOH A . -C 3 HOH 37 637 637 HOH HOH A . -C 3 HOH 38 638 638 HOH HOH A . -C 3 HOH 39 639 639 HOH HOH A . -C 3 HOH 40 640 640 HOH HOH A . -C 3 HOH 41 641 641 HOH HOH A . -C 3 HOH 42 642 642 HOH HOH A . -C 3 HOH 43 643 643 HOH HOH A . -C 3 HOH 44 644 644 HOH HOH A . -C 3 HOH 45 645 645 HOH HOH A . -C 3 HOH 46 646 646 HOH HOH A . -C 3 HOH 47 647 647 HOH HOH A . -C 3 HOH 48 648 648 HOH HOH A . -C 3 HOH 49 649 649 HOH HOH A . -C 3 HOH 50 650 650 HOH HOH A . -C 3 HOH 51 651 651 HOH HOH A . -C 3 HOH 52 652 652 HOH HOH A . -C 3 HOH 53 653 653 HOH HOH A . -C 3 HOH 54 654 654 HOH HOH A . -C 3 HOH 55 655 655 HOH HOH A . -C 3 HOH 56 656 656 HOH HOH A . -C 3 HOH 57 657 657 HOH HOH A . -C 3 HOH 58 658 658 HOH HOH A . -C 3 HOH 59 659 659 HOH HOH A . -C 3 HOH 60 660 660 HOH HOH A . -C 3 HOH 61 661 661 HOH HOH A . -C 3 HOH 62 662 662 HOH HOH A . -C 3 HOH 63 663 663 HOH HOH A . -C 3 HOH 64 664 664 HOH HOH A . -C 3 HOH 65 665 665 HOH HOH A . -C 3 HOH 66 666 666 HOH HOH A . -C 3 HOH 67 667 667 HOH HOH A . -C 3 HOH 68 668 668 HOH HOH A . -C 3 HOH 69 669 669 HOH HOH A . -C 3 HOH 70 670 670 HOH HOH A . -C 3 HOH 71 671 671 HOH HOH A . -C 3 HOH 72 672 672 HOH HOH A . -C 3 HOH 73 673 673 HOH HOH A . -C 3 HOH 74 674 674 HOH HOH A . -C 3 HOH 75 675 675 HOH HOH A . -C 3 HOH 76 676 676 HOH HOH A . -C 3 HOH 77 677 677 HOH HOH A . -C 3 HOH 78 678 678 HOH HOH A . -C 3 HOH 79 679 679 HOH HOH A . -C 3 HOH 80 680 680 HOH HOH A . -C 3 HOH 81 681 681 HOH HOH A . -C 3 HOH 82 682 682 HOH HOH A . +_atom_sites_footnote.id +_atom_sites_footnote.text +1 'CIS PROLINE - PRO 104' +2 'RESIDUE THA 999 IS BOUND NON-COVALENTLY IN THE ACTIVE SITE.' +# +loop_ +_atom_type.symbol +C +N +O +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -1316,4205 +1170,5244 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . SER A 1 4 . -12.503 89.084 35.13 1 66.28 ? N SER A 4 1 -ATOM 2 C CA . SER A 1 4 . -12.189 87.877 35.866 1 63.52 ? CA SER A 4 1 -ATOM 3 C C . SER A 1 4 . -11.066 88.196 36.842 1 59.52 ? C SER A 4 1 -ATOM 4 O O . SER A 1 4 . -11.26 89.101 37.633 1 57.7 ? O SER A 4 1 -ATOM 5 C CB . SER A 1 4 . -12.025 86.72 34.856 1 67.07 ? CB SER A 4 1 -ATOM 6 O OG . SER A 1 4 . -13.195 86.792 34.018 1 70.02 ? OG SER A 4 1 -ATOM 7 N N . GLU A 1 5 . -9.92 87.515 36.768 1 54.99 ? N GLU A 5 1 -ATOM 8 C CA . GLU A 1 5 . -8.763 87.673 37.662 1 47.42 ? CA GLU A 5 1 -ATOM 9 C C . GLU A 1 5 . -9.082 86.841 38.872 1 43.05 ? C GLU A 5 1 -ATOM 10 O O . GLU A 1 5 . -8.332 85.956 39.236 1 44.4 ? O GLU A 5 1 -ATOM 11 C CB . GLU A 1 5 . -8.315 89.106 38.012 1 47.14 ? CB GLU A 5 1 -ATOM 12 C CG . GLU A 1 5 . -7.047 89.19 38.917 1 51.13 ? CG GLU A 5 1 -ATOM 13 C CD . GLU A 1 5 . -5.714 88.67 38.353 1 52.76 ? CD GLU A 5 1 -ATOM 14 O OE1 . GLU A 1 5 . -5.502 88.765 37.15 1 54.93 ? OE1 GLU A 5 1 -ATOM 15 O OE2 . GLU A 1 5 . -4.88 88.179 39.122 1 56.48 ? OE2 GLU A 5 1 -ATOM 16 N N . LEU A 1 6 . -10.253 87.138 39.444 1 36.79 ? N LEU A 6 1 -ATOM 17 C CA . LEU A 1 6 . -10.748 86.426 40.612 1 32.75 ? CA LEU A 6 1 -ATOM 18 C C . LEU A 1 6 . -11.84 85.431 40.295 1 33.35 ? C LEU A 6 1 -ATOM 19 O O . LEU A 1 6 . -12.296 84.7 41.162 1 35.53 ? O LEU A 6 1 -ATOM 20 C CB . LEU A 1 6 . -11.321 87.429 41.633 1 28.61 ? CB LEU A 6 1 -ATOM 21 C CG . LEU A 1 6 . -10.276 87.885 42.667 1 29.95 ? CG LEU A 6 1 -ATOM 22 C CD1 . LEU A 1 6 . -9.06 88.579 42.04 1 28.52 ? CD1 LEU A 6 1 -ATOM 23 C CD2 . LEU A 1 6 . -10.937 88.762 43.732 1 28.46 ? CD2 LEU A 6 1 -ATOM 24 N N . LEU A 1 7 . -12.302 85.444 39.053 1 33.35 ? N LEU A 7 1 -ATOM 25 C CA . LEU A 1 7 . -13.363 84.515 38.679 1 33.07 ? CA LEU A 7 1 -ATOM 26 C C . LEU A 1 7 . -12.689 83.488 37.822 1 32.11 ? C LEU A 7 1 -ATOM 27 O O . LEU A 1 7 . -12.018 83.906 36.874 1 36.48 ? O LEU A 7 1 -ATOM 28 C CB . LEU A 1 7 . -14.409 85.233 37.811 1 33.65 ? CB LEU A 7 1 -ATOM 29 C CG . LEU A 1 7 . -15.741 84.489 37.662 1 33.73 ? CG LEU A 7 1 -ATOM 30 C CD1 . LEU A 1 7 . -15.669 83.103 37.017 1 34.68 ? CD1 LEU A 7 1 -ATOM 31 C CD2 . LEU A 1 7 . -16.471 84.394 38.993 1 34.9 ? CD2 LEU A 7 1 -ATOM 32 N N . VAL A 1 8 . -12.856 82.204 38.136 1 24.81 ? N VAL A 8 1 -ATOM 33 C CA . VAL A 1 8 . -12.232 81.181 37.334 1 21.36 ? CA VAL A 8 1 -ATOM 34 C C . VAL A 1 8 . -13.261 80.103 37.069 1 25.4 ? C VAL A 8 1 -ATOM 35 O O . VAL A 1 8 . -14.082 79.793 37.921 1 27.94 ? O VAL A 8 1 -ATOM 36 C CB . VAL A 1 8 . -11.015 80.653 38.107 1 15.33 ? CB VAL A 8 1 -ATOM 37 C CG1 . VAL A 1 8 . -10.339 79.451 37.43 1 17.12 ? CG1 VAL A 8 1 -ATOM 38 C CG2 . VAL A 1 8 . -9.983 81.78 38.306 1 14.32 ? CG2 VAL A 8 1 -ATOM 39 N N . ASN A 1 9 . -13.228 79.552 35.849 1 29.47 ? N ASN A 9 1 -ATOM 40 C CA . ASN A 1 9 . -14.133 78.459 35.493 1 33.22 ? CA ASN A 9 1 -ATOM 41 C C . ASN A 1 9 . -13.227 77.276 35.611 1 34.13 ? C ASN A 9 1 -ATOM 42 O O . ASN A 1 9 . -12.125 77.308 35.074 1 35.41 ? O ASN A 9 1 -ATOM 43 C CB . ASN A 1 9 . -14.555 78.386 34.013 1 38.11 ? CB ASN A 9 1 -ATOM 44 C CG . ASN A 1 9 . -15.552 79.424 33.597 1 42.62 ? CG ASN A 9 1 -ATOM 45 O OD1 . ASN A 1 9 . -16.72 79.332 33.924 1 48.35 ? OD1 ASN A 9 1 -ATOM 46 N ND2 . ASN A 1 9 . -15.081 80.421 32.85 1 41.34 ? ND2 ASN A 9 1 -ATOM 47 N N . THR A 1 10 . -13.656 76.26 36.32 1 33.2 ? N THR A 10 1 -ATOM 48 C CA . THR A 1 10 . -12.829 75.086 36.438 1 30.23 ? CA THR A 10 1 -ATOM 49 C C . THR A 1 10 . -13.712 74.031 35.844 1 31.69 ? C THR A 10 1 -ATOM 50 O O . THR A 1 10 . -14.915 74.252 35.715 1 35.98 ? O THR A 10 1 -ATOM 51 C CB . THR A 1 10 . -12.478 74.82 37.913 1 27.41 ? CB THR A 10 1 -ATOM 52 O OG1 . THR A 1 10 . -13.619 74.419 38.674 1 24.65 ? OG1 THR A 10 1 -ATOM 53 C CG2 . THR A 1 10 . -11.894 76.058 38.615 1 27.48 ? CG2 THR A 10 1 -ATOM 54 N N . LYS A 1 11 . -13.156 72.866 35.542 1 27.84 ? N LYS A 11 1 -ATOM 55 C CA . LYS A 1 11 . -14.023 71.85 34.98 1 24.67 ? CA LYS A 11 1 -ATOM 56 C C . LYS A 1 11 . -15.154 71.44 35.929 1 24.68 ? C LYS A 11 1 -ATOM 57 O O . LYS A 1 11 . -16.072 70.775 35.486 1 27.54 ? O LYS A 11 1 -ATOM 58 C CB . LYS A 1 11 . -13.208 70.653 34.493 1 17.2 ? CB LYS A 11 1 -ATOM 59 C CG . LYS A 1 11 . -12.087 71.099 33.547 1 14.65 ? CG LYS A 11 1 -ATOM 60 C CD . LYS A 1 11 . -11.25 69.939 33.014 1 16.35 ? CD LYS A 11 1 -ATOM 61 C CE . LYS A 1 11 . -9.911 70.312 32.358 1 19.73 ? CE LYS A 11 1 -ATOM 62 N NZ . LYS A 1 11 . -9.107 69.103 32.179 1 22.74 ? NZ LYS A 11 1 -ATOM 63 N N . SER A 1 12 . -15.078 71.792 37.231 1 27.83 ? N SER A 12 1 -ATOM 64 C CA . SER A 1 12 . -16.163 71.425 38.154 1 28.06 ? CA SER A 12 1 -ATOM 65 C C . SER A 1 12 . -17.186 72.558 38.349 1 29.85 ? C SER A 12 1 -ATOM 66 O O . SER A 1 12 . -18.303 72.296 38.787 1 26.76 ? O SER A 12 1 -ATOM 67 C CB . SER A 1 12 . -15.645 71.067 39.569 1 28.31 ? CB SER A 12 1 -ATOM 68 O OG . SER A 1 12 . -14.456 70.262 39.614 1 28.89 ? OG SER A 12 1 -ATOM 69 N N . GLY A 1 13 . -16.789 73.809 38.067 1 27.92 ? N GLY A 13 1 -ATOM 70 C CA . GLY A 1 13 . -17.743 74.889 38.268 1 30.42 ? CA GLY A 13 1 -ATOM 71 C C . GLY A 1 13 . -16.97 76.173 38.361 1 32.86 ? C GLY A 13 1 -ATOM 72 O O . GLY A 1 13 . -15.75 76.147 38.199 1 31.43 ? O GLY A 13 1 -ATOM 73 N N . LYS A 1 14 . -17.661 77.3 38.603 1 34.06 ? N LYS A 14 1 -ATOM 74 C CA . LYS A 1 14 . -16.946 78.577 38.695 1 35.67 ? CA LYS A 14 1 -ATOM 75 C C . LYS A 1 14 . -16.546 78.847 40.127 1 34.96 ? C LYS A 14 1 -ATOM 76 O O . LYS A 1 14 . -17.215 78.37 41.034 1 34.65 ? O LYS A 14 1 -ATOM 77 C CB . LYS A 1 14 . -17.839 79.721 38.192 1 38.99 ? CB LYS A 14 1 -ATOM 78 C CG . LYS A 1 14 . -17.873 79.759 36.661 1 47.77 ? CG LYS A 14 1 -ATOM 79 C CD . LYS A 1 14 . -18.766 80.858 36.07 1 55.48 ? CD LYS A 14 1 -ATOM 80 C CE . LYS A 1 14 . -20.267 80.65 36.336 1 64.81 ? CE LYS A 14 1 -ATOM 81 N NZ . LYS A 1 14 . -20.749 79.427 35.705 1 71 ? NZ LYS A 14 1 -ATOM 82 N N . VAL A 1 15 . -15.479 79.629 40.328 1 34.04 ? N VAL A 15 1 -ATOM 83 C CA . VAL A 1 15 . -15.026 79.952 41.667 1 32.93 ? CA VAL A 15 1 -ATOM 84 C C . VAL A 1 15 . -14.591 81.417 41.683 1 34.62 ? C VAL A 15 1 -ATOM 85 O O . VAL A 1 15 . -13.953 81.902 40.751 1 29.89 ? O VAL A 15 1 -ATOM 86 C CB . VAL A 1 15 . -13.875 79.002 42.098 1 29.03 ? CB VAL A 15 1 -ATOM 87 C CG1 . VAL A 1 15 . -14.269 77.516 42.075 1 29.98 ? CG1 VAL A 15 1 -ATOM 88 C CG2 . VAL A 1 15 . -12.622 79.141 41.229 1 31.49 ? CG2 VAL A 15 1 -ATOM 89 N N . MET A 1 16 . -14.981 82.082 42.777 1 37.7 ? N MET A 16 1 -ATOM 90 C CA . MET A 1 16 . -14.696 83.486 43.083 1 39.31 ? CA MET A 16 1 -ATOM 91 C C . MET A 1 16 . -13.672 83.472 44.208 1 37.45 ? C MET A 16 1 -ATOM 92 O O . MET A 1 16 . -13.922 82.839 45.227 1 37.64 ? O MET A 16 1 -ATOM 93 C CB . MET A 1 16 . -15.964 84.164 43.671 1 43.76 ? CB MET A 16 1 -ATOM 94 C CG . MET A 1 16 . -16.786 84.967 42.656 1 51.8 ? CG MET A 16 1 -ATOM 95 S SD . MET A 1 16 . -15.852 86.472 42.182 1 59.52 ? SD MET A 16 1 -ATOM 96 C CE . MET A 1 16 . -16.117 87.473 43.685 1 62.28 ? CE MET A 16 1 -ATOM 97 N N . GLY A 1 17 . -12.555 84.166 44.044 1 35.12 ? N GLY A 17 1 -ATOM 98 C CA . GLY A 1 17 . -11.542 84.181 45.098 1 31.94 ? CA GLY A 17 1 -ATOM 99 C C . GLY A 1 17 . -11.538 85.515 45.789 1 29.25 ? C GLY A 17 1 -ATOM 100 O O . GLY A 1 17 . -12.538 86.225 45.821 1 29.77 ? O GLY A 17 1 -ATOM 101 N N . THR A 1 18 . -10.387 85.877 46.335 1 29.14 ? N THR A 18 1 -ATOM 102 C CA . THR A 1 18 . -10.24 87.143 47.021 1 32.39 ? CA THR A 18 1 -ATOM 103 C C . THR A 1 18 . -8.877 87.671 46.695 1 29.82 ? C THR A 18 1 -ATOM 104 O O . THR A 1 18 . -7.952 86.944 46.354 1 29.28 ? O THR A 18 1 -ATOM 105 C CB . THR A 1 18 . -10.27 86.929 48.552 1 38.14 ? CB THR A 18 1 -ATOM 106 O OG1 . THR A 1 18 . -11.384 86.119 48.917 1 42.11 ? OG1 THR A 18 1 -ATOM 107 C CG2 . THR A 1 18 . -10.355 88.216 49.399 1 41.82 ? CG2 THR A 18 1 -ATOM 108 N N . ARG A 1 19 . -8.772 88.981 46.807 1 28.01 ? N ARG A 19 1 -ATOM 109 C CA . ARG A 1 19 . -7.503 89.605 46.57 1 29.07 ? CA ARG A 19 1 -ATOM 110 C C . ARG A 1 19 . -6.948 89.704 47.989 1 30.93 ? C ARG A 19 1 -ATOM 111 O O . ARG A 1 19 . -7.634 90.258 48.842 1 35.56 ? O ARG A 19 1 -ATOM 112 C CB . ARG A 1 19 . -7.758 90.976 45.92 1 28.93 ? CB ARG A 19 1 -ATOM 113 C CG . ARG A 1 19 . -6.503 91.613 45.339 1 32.23 ? CG ARG A 19 1 -ATOM 114 C CD . ARG A 1 19 . -6.762 93.028 44.816 1 35.26 ? CD ARG A 19 1 -ATOM 115 N N . VAL A 1 20 . -5.76 89.164 48.263 1 30.18 ? N VAL A 20 1 -ATOM 116 C CA . VAL A 1 20 . -5.21 89.235 49.617 1 26.81 ? CA VAL A 20 1 -ATOM 117 C C . VAL A 1 20 . -3.984 90.126 49.576 1 28.42 ? C VAL A 20 1 -ATOM 118 O O . VAL A 1 20 . -3.243 90.053 48.604 1 28.65 ? O VAL A 20 1 -ATOM 119 C CB . VAL A 1 20 . -4.849 87.825 50.132 1 25.26 ? CB VAL A 20 1 -ATOM 120 C CG1 . VAL A 1 20 . -6.086 86.908 50.086 1 20.35 ? CG1 VAL A 20 1 -ATOM 121 C CG2 . VAL A 1 20 . -3.672 87.168 49.377 1 25.28 ? CG2 VAL A 20 1 -ATOM 122 N N . PRO A 1 21 . -3.764 90.961 50.603 1 29.36 ? N PRO A 21 1 -ATOM 123 C CA . PRO A 1 21 . -2.543 91.749 50.665 1 28.64 ? CA PRO A 21 1 -ATOM 124 C C . PRO A 1 21 . -1.347 90.886 50.931 1 28.38 ? C PRO A 21 1 -ATOM 125 O O . PRO A 1 21 . -1.405 89.986 51.758 1 29.32 ? O PRO A 21 1 -ATOM 126 C CB . PRO A 1 21 . -2.741 92.681 51.869 1 30.26 ? CB PRO A 21 1 -ATOM 127 C CG . PRO A 1 21 . -4.219 92.582 52.263 1 31.39 ? CG PRO A 21 1 -ATOM 128 C CD . PRO A 1 21 . -4.74 91.285 51.635 1 31.49 ? CD PRO A 21 1 -ATOM 129 N N . VAL A 1 22 . -0.249 91.183 50.261 1 29.82 ? N VAL A 22 1 -ATOM 130 C CA . VAL A 1 22 . 0.96 90.419 50.471 1 31.13 ? CA VAL A 22 1 -ATOM 131 C C . VAL A 1 22 . 2.012 91.46 50.498 1 34 ? C VAL A 22 1 -ATOM 132 O O . VAL A 1 22 . 2.306 92.09 49.498 1 36.68 ? O VAL A 22 1 -ATOM 133 C CB . VAL A 1 22 . 1.232 89.459 49.316 1 28.17 ? CB VAL A 22 1 -ATOM 134 C CG1 . VAL A 1 22 . 2.433 88.577 49.605 1 27.98 ? CG1 VAL A 22 1 -ATOM 135 C CG2 . VAL A 1 22 . 0.011 88.599 49.042 1 33 ? CG2 VAL A 22 1 -ATOM 136 N N . LEU A 1 23 . 2.605 91.635 51.659 1 35.38 ? N LEU A 23 1 -ATOM 137 C CA . LEU A 1 23 . 3.623 92.66 51.758 1 37.84 ? CA LEU A 23 1 -ATOM 138 C C . LEU A 1 23 . 3.003 93.998 51.372 1 43.58 ? C LEU A 23 1 -ATOM 139 O O . LEU A 1 23 . 2.056 94.464 51.991 1 47.15 ? O LEU A 23 1 -ATOM 140 C CB . LEU A 1 23 . 4.926 92.342 51.009 1 34.91 ? CB LEU A 23 1 -ATOM 141 C CG . LEU A 1 23 . 5.762 91.224 51.648 1 37.14 ? CG LEU A 23 1 -ATOM 142 C CD1 . LEU A 1 23 . 5.306 89.823 51.252 1 37.74 ? CD1 LEU A 23 1 -ATOM 143 C CD2 . LEU A 1 23 . 7.228 91.372 51.229 1 43.47 ? CD2 LEU A 23 1 -ATOM 144 N N . SER A 1 24 . 3.546 94.547 50.304 1 45.59 ? N SER A 24 1 -ATOM 145 C CA . SER A 1 24 . 3.151 95.833 49.783 1 47.78 ? CA SER A 24 1 -ATOM 146 C C . SER A 1 24 . 2.17 95.764 48.633 1 46.42 ? C SER A 24 1 -ATOM 147 O O . SER A 1 24 . 1.802 96.789 48.07 1 49.47 ? O SER A 24 1 -ATOM 148 C CB . SER A 1 24 . 4.454 96.47 49.252 1 53.04 ? CB SER A 24 1 -ATOM 149 O OG . SER A 1 24 . 5.276 95.514 48.535 1 56.67 ? OG SER A 24 1 -ATOM 150 N N . SER A 1 25 . 1.764 94.551 48.285 1 43.6 ? N SER A 25 1 -ATOM 151 C CA . SER A 1 25 . 0.9 94.351 47.149 1 41.55 ? CA SER A 25 1 -ATOM 152 C C . SER A 1 25 . -0.283 93.474 47.48 1 39.27 ? C SER A 25 1 -ATOM 153 O O . SER A 1 25 . -0.777 93.456 48.602 1 42.44 ? O SER A 25 1 -ATOM 154 C CB . SER A 1 25 . 1.78 93.725 46.06 1 43.12 ? CB SER A 25 1 -ATOM 155 O OG . SER A 1 25 . 3.058 94.368 46.008 1 49.23 ? OG SER A 25 1 -ATOM 156 N N . HIS A 1 26 . -0.731 92.728 46.465 1 35.32 ? N HIS A 26 1 -ATOM 157 C CA . HIS A 1 26 . -1.858 91.841 46.579 1 32.06 ? CA HIS A 26 1 -ATOM 158 C C . HIS A 1 26 . -1.588 90.547 45.794 1 29.59 ? C HIS A 26 1 -ATOM 159 O O . HIS A 1 26 . -0.578 90.415 45.113 1 31.42 ? O HIS A 26 1 -ATOM 160 C CB . HIS A 1 26 . -3.032 92.623 45.99 1 31.02 ? CB HIS A 26 1 -ATOM 161 N N . ILE A 1 27 . -2.509 89.6 45.908 1 21.5 ? N ILE A 27 1 -ATOM 162 C CA . ILE A 1 27 . -2.427 88.321 45.23 1 20.27 ? CA ILE A 27 1 -ATOM 163 C C . ILE A 1 27 . -3.851 87.86 45.203 1 21.51 ? C ILE A 27 1 -ATOM 164 O O . ILE A 1 27 . -4.717 88.495 45.793 1 19.8 ? O ILE A 27 1 -ATOM 165 C CB . ILE A 1 27 . -1.505 87.378 46.027 1 19.81 ? CB ILE A 27 1 -ATOM 166 C CG1 . ILE A 1 27 . -0.111 87.355 45.413 1 25.98 ? CG1 ILE A 27 1 -ATOM 167 C CG2 . ILE A 1 27 . -2.007 85.97 46.354 1 21.89 ? CG2 ILE A 27 1 -ATOM 168 C CD1 . ILE A 1 27 . 0.663 86.04 45.648 1 33.64 ? CD1 ILE A 27 1 -ATOM 169 N N . SER A 1 28 . -4.094 86.767 44.51 1 21.19 ? N SER A 28 1 -ATOM 170 C CA . SER A 1 28 . -5.439 86.251 44.469 1 25.17 ? CA SER A 28 1 -ATOM 171 C C . SER A 1 28 . -5.369 85.028 45.334 1 25.66 ? C SER A 28 1 -ATOM 172 O O . SER A 1 28 . -4.345 84.353 45.388 1 30.04 ? O SER A 28 1 -ATOM 173 C CB . SER A 1 28 . -5.835 85.861 43.03 1 29.04 ? CB SER A 28 1 -ATOM 174 O OG . SER A 1 28 . -5.758 86.989 42.156 1 36.88 ? OG SER A 28 1 -ATOM 175 N N . ALA A 1 29 . -6.46 84.718 46.01 1 23.77 ? N ALA A 29 1 -ATOM 176 C CA . ALA A 1 29 . -6.46 83.548 46.848 1 21.82 ? CA ALA A 29 1 -ATOM 177 C C . ALA A 1 29 . -7.798 82.928 46.654 1 22.7 ? C ALA A 29 1 -ATOM 178 O O . ALA A 1 29 . -8.797 83.637 46.615 1 21.72 ? O ALA A 29 1 -ATOM 179 C CB . ALA A 1 29 . -6.325 83.972 48.315 1 24.17 ? CB ALA A 29 1 -ATOM 180 N N . PHE A 1 30 . -7.788 81.613 46.502 1 22.31 ? N PHE A 30 1 -ATOM 181 C CA . PHE A 1 30 . -9.018 80.867 46.33 1 23.55 ? CA PHE A 30 1 -ATOM 182 C C . PHE A 1 30 . -8.917 79.88 47.469 1 24.51 ? C PHE A 30 1 -ATOM 183 O O . PHE A 1 30 . -8.094 78.969 47.399 1 27.63 ? O PHE A 30 1 -ATOM 184 C CB . PHE A 1 30 . -9.061 80.119 44.96 1 25.71 ? CB PHE A 30 1 -ATOM 185 C CG . PHE A 1 30 . -9.027 81.019 43.728 1 21.98 ? CG PHE A 30 1 -ATOM 186 C CD1 . PHE A 1 30 . -7.797 81.505 43.221 1 18.64 ? CD1 PHE A 30 1 -ATOM 187 C CD2 . PHE A 1 30 . -10.233 81.399 43.094 1 19.09 ? CD2 PHE A 30 1 -ATOM 188 C CE1 . PHE A 1 30 . -7.779 82.375 42.119 1 16.13 ? CE1 PHE A 30 1 -ATOM 189 C CE2 . PHE A 1 30 . -10.221 82.265 41.995 1 12.59 ? CE2 PHE A 30 1 -ATOM 190 C CZ . PHE A 1 30 . -8.995 82.757 41.517 1 19.18 ? CZ PHE A 30 1 -ATOM 191 N N . LEU A 1 31 . -9.699 80.075 48.528 1 22.04 ? N LEU A 31 1 -ATOM 192 C CA . LEU A 1 31 . -9.615 79.16 49.663 1 18.95 ? CA LEU A 31 1 -ATOM 193 C C . LEU A 1 31 . -10.854 78.281 49.734 1 20.31 ? C LEU A 31 1 -ATOM 194 O O . LEU A 1 31 . -11.951 78.708 49.409 1 22.57 ? O LEU A 31 1 -ATOM 195 C CB . LEU A 1 31 . -9.615 79.944 50.992 1 15.9 ? CB LEU A 31 1 -ATOM 196 C CG . LEU A 1 31 . -8.438 80.872 51.338 1 10.17 ? CG LEU A 31 1 -ATOM 197 C CD1 . LEU A 1 31 . -7.296 80.912 50.334 1 9.79 ? CD1 LEU A 31 1 -ATOM 198 C CD2 . LEU A 1 31 . -8.958 82.277 51.614 1 7.92 ? CD2 LEU A 31 1 -ATOM 199 N N . GLY A 1 32 . -10.675 77.043 50.189 1 19.63 ? N GLY A 32 1 -ATOM 200 C CA . GLY A 1 32 . -11.825 76.159 50.338 1 17.79 ? CA GLY A 32 1 -ATOM 201 C C . GLY A 1 32 . -12.485 75.571 49.094 1 17.48 ? C GLY A 32 1 -ATOM 202 O O . GLY A 1 32 . -13.682 75.307 49.118 1 19.31 ? O GLY A 32 1 -ATOM 203 N N . ILE A 1 33 . -11.741 75.327 47.998 1 16.16 ? N ILE A 33 1 -ATOM 204 C CA . ILE A 1 33 . -12.403 74.743 46.822 1 12.47 ? CA ILE A 33 1 -ATOM 205 C C . ILE A 1 33 . -12.593 73.236 47.093 1 11.92 ? C ILE A 33 1 -ATOM 206 O O . ILE A 1 33 . -11.624 72.549 47.397 1 15.94 ? O ILE A 33 1 -ATOM 207 C CB . ILE A 1 33 . -11.539 74.952 45.567 1 9.82 ? CB ILE A 33 1 -ATOM 208 C CG1 . ILE A 1 33 . -11.207 76.435 45.302 1 9.7 ? CG1 ILE A 33 1 -ATOM 209 C CG2 . ILE A 1 33 . -12.199 74.334 44.332 1 11.4 ? CG2 ILE A 33 1 -ATOM 210 C CD1 . ILE A 1 33 . -10.035 76.57 44.319 1 10.55 ? CD1 ILE A 33 1 -ATOM 211 N N . PRO A 1 34 . -13.822 72.711 47.015 1 9.19 ? N PRO A 34 1 -ATOM 212 C CA . PRO A 1 34 . -14.031 71.303 47.35 1 12.31 ? CA PRO A 34 1 -ATOM 213 C C . PRO A 1 34 . -13.398 70.436 46.293 1 13.3 ? C PRO A 34 1 -ATOM 214 O O . PRO A 1 34 . -13.393 70.816 45.138 1 18.57 ? O PRO A 34 1 -ATOM 215 C CB . PRO A 1 34 . -15.562 71.124 47.334 1 8.07 ? CB PRO A 34 1 -ATOM 216 C CG . PRO A 1 34 . -16.099 72.321 46.537 1 5.81 ? CG PRO A 34 1 -ATOM 217 C CD . PRO A 1 34 . -15.028 73.419 46.629 1 7.7 ? CD PRO A 34 1 -ATOM 218 N N . PHE A 1 35 . -12.895 69.263 46.671 1 14.36 ? N PHE A 35 1 -ATOM 219 C CA . PHE A 1 35 . -12.3 68.406 45.655 1 9.91 ? CA PHE A 35 1 -ATOM 220 C C . PHE A 1 35 . -12.831 66.998 45.693 1 12.79 ? C PHE A 35 1 -ATOM 221 O O . PHE A 1 35 . -12.381 66.173 44.914 1 15.8 ? O PHE A 35 1 -ATOM 222 C CB . PHE A 1 35 . -10.776 68.408 45.715 1 11.07 ? CB PHE A 35 1 -ATOM 223 C CG . PHE A 1 35 . -10.152 67.808 46.961 1 17.39 ? CG PHE A 35 1 -ATOM 224 C CD1 . PHE A 1 35 . -10.133 66.414 47.151 1 16.8 ? CD1 PHE A 35 1 -ATOM 225 C CD2 . PHE A 1 35 . -9.518 68.631 47.914 1 19.76 ? CD2 PHE A 35 1 -ATOM 226 C CE1 . PHE A 1 35 . -9.469 65.84 48.245 1 18.35 ? CE1 PHE A 35 1 -ATOM 227 C CE2 . PHE A 1 35 . -8.852 68.058 49.009 1 19.78 ? CE2 PHE A 35 1 -ATOM 228 C CZ . PHE A 1 35 . -8.822 66.664 49.171 1 20.22 ? CZ PHE A 35 1 -ATOM 229 N N . ALA A 1 36 . -13.774 66.688 46.592 1 10.85 ? N ALA A 36 1 -ATOM 230 C CA . ALA A 1 36 . -14.325 65.34 46.667 1 8.56 ? CA ALA A 36 1 -ATOM 231 C C . ALA A 1 36 . -15.632 65.48 47.393 1 12.49 ? C ALA A 36 1 -ATOM 232 O O . ALA A 1 36 . -15.897 66.525 47.967 1 18.58 ? O ALA A 36 1 -ATOM 233 C CB . ALA A 1 36 . -13.386 64.415 47.425 1 6.98 ? CB ALA A 36 1 -ATOM 234 N N . GLU A 1 37 . -16.48 64.461 47.356 1 17.66 ? N GLU A 37 1 -ATOM 235 C CA . GLU A 1 37 . -17.76 64.582 48.069 1 21.71 ? CA GLU A 37 1 -ATOM 236 C C . GLU A 1 37 . -17.514 64.41 49.571 1 22.94 ? C GLU A 37 1 -ATOM 237 O O . GLU A 1 37 . -16.832 63.452 49.918 1 26.27 ? O GLU A 37 1 -ATOM 238 C CB . GLU A 1 37 . -18.75 63.467 47.648 1 23.74 ? CB GLU A 37 1 -ATOM 239 C CG . GLU A 1 37 . -19.328 63.616 46.228 1 27.33 ? CG GLU A 37 1 -ATOM 240 C CD . GLU A 1 37 . -20.406 64.704 46.157 1 31.25 ? CD GLU A 37 1 -ATOM 241 O OE1 . GLU A 1 37 . -21.535 64.424 46.561 1 34.04 ? OE1 GLU A 37 1 -ATOM 242 O OE2 . GLU A 1 37 . -20.126 65.817 45.704 1 30.36 ? OE2 GLU A 37 1 -ATOM 243 N N . PRO A 1 38 . -18.101 65.289 50.436 1 23.11 ? N PRO A 38 1 -ATOM 244 C CA . PRO A 1 38 . -17.897 65.221 51.887 1 17.99 ? CA PRO A 38 1 -ATOM 245 C C . PRO A 1 38 . -18.053 63.833 52.455 1 17.78 ? C PRO A 38 1 -ATOM 246 O O . PRO A 1 38 . -19.148 63.295 52.367 1 23.08 ? O PRO A 38 1 -ATOM 247 C CB . PRO A 1 38 . -18.999 66.109 52.467 1 15.25 ? CB PRO A 38 1 -ATOM 248 C CG . PRO A 1 38 . -19.381 67.077 51.348 1 21.82 ? CG PRO A 38 1 -ATOM 249 C CD . PRO A 1 38 . -19.04 66.343 50.042 1 25.22 ? CD PRO A 38 1 -ATOM 250 N N . PRO A 1 39 . -16.988 63.271 53.04 1 14.62 ? N PRO A 39 1 -ATOM 251 C CA . PRO A 1 39 . -17.013 61.878 53.449 1 14.68 ? CA PRO A 39 1 -ATOM 252 C C . PRO A 1 39 . -17.702 61.743 54.784 1 18.19 ? C PRO A 39 1 -ATOM 253 O O . PRO A 1 39 . -17.113 61.328 55.779 1 26.5 ? O PRO A 39 1 -ATOM 254 C CB . PRO A 1 39 . -15.525 61.549 53.563 1 12.52 ? CB PRO A 39 1 -ATOM 255 C CG . PRO A 1 39 . -14.86 62.88 53.931 1 13.31 ? CG PRO A 39 1 -ATOM 256 C CD . PRO A 1 39 . -15.722 63.95 53.278 1 10.24 ? CD PRO A 39 1 -ATOM 257 N N . VAL A 1 40 . -18.959 62.123 54.81 1 17.25 ? N VAL A 40 1 -ATOM 258 C CA . VAL A 1 40 . -19.699 62.057 56.038 1 17.22 ? CA VAL A 40 1 -ATOM 259 C C . VAL A 1 40 . -20.662 60.892 55.947 1 20.33 ? C VAL A 40 1 -ATOM 260 O O . VAL A 1 40 . -20.742 60.152 54.976 1 25.8 ? O VAL A 40 1 -ATOM 261 C CB . VAL A 1 40 . -20.37 63.44 56.216 1 15.36 ? CB VAL A 40 1 -ATOM 262 C CG1 . VAL A 1 40 . -19.347 64.601 56.138 1 6.48 ? CG1 VAL A 40 1 -ATOM 263 C CG2 . VAL A 1 40 . -21.509 63.677 55.208 1 18.85 ? CG2 VAL A 40 1 -ATOM 264 N N . GLY A 1 41 . -21.42 60.721 57.009 1 24.29 ? N GLY A 41 1 -ATOM 265 C CA . GLY A 1 41 . -22.414 59.661 57.013 1 25.93 ? CA GLY A 41 1 -ATOM 266 C C . GLY A 1 41 . -21.868 58.298 56.733 1 26.15 ? C GLY A 41 1 -ATOM 267 O O . GLY A 1 41 . -20.822 57.901 57.228 1 30.02 ? O GLY A 41 1 -ATOM 268 N N . ASN A 1 42 . -22.623 57.602 55.878 1 28.14 ? N ASN A 42 1 -ATOM 269 C CA . ASN A 1 42 . -22.273 56.252 55.477 1 31.52 ? CA ASN A 42 1 -ATOM 270 C C . ASN A 1 42 . -20.982 56.182 54.642 1 32.76 ? C ASN A 42 1 -ATOM 271 O O . ASN A 1 42 . -20.514 55.113 54.276 1 31.62 ? O ASN A 42 1 -ATOM 272 C CB . ASN A 1 42 . -23.492 55.583 54.843 1 29.49 ? CB ASN A 42 1 -ATOM 273 N N . MET A 1 43 . -20.39 57.351 54.357 1 33.93 ? N MET A 43 1 -ATOM 274 C CA . MET A 1 43 . -19.153 57.405 53.59 1 34.65 ? CA MET A 43 1 -ATOM 275 C C . MET A 1 43 . -17.935 57.446 54.473 1 33.26 ? C MET A 43 1 -ATOM 276 O O . MET A 1 43 . -16.805 57.433 53.997 1 34.27 ? O MET A 43 1 -ATOM 277 C CB . MET A 1 43 . -19.165 58.63 52.682 1 37.67 ? CB MET A 43 1 -ATOM 278 C CG . MET A 1 43 . -20.371 58.55 51.737 1 40.13 ? CG MET A 43 1 -ATOM 279 S SD . MET A 1 43 . -19.833 59.076 50.095 1 47.63 ? SD MET A 43 1 -ATOM 280 C CE . MET A 1 43 . -19.69 60.877 50.378 1 44.23 ? CE MET A 43 1 -ATOM 281 N N . ARG A 1 44 . -18.166 57.528 55.783 1 30.06 ? N ARG A 44 1 -ATOM 282 C CA . ARG A 1 44 . -17.026 57.556 56.677 1 26.22 ? CA ARG A 44 1 -ATOM 283 C C . ARG A 1 44 . -16.2 56.29 56.45 1 23.34 ? C ARG A 44 1 -ATOM 284 O O . ARG A 1 44 . -16.777 55.227 56.309 1 17.04 ? O ARG A 44 1 -ATOM 285 C CB . ARG A 1 44 . -17.503 57.608 58.154 1 26.73 ? CB ARG A 44 1 -ATOM 286 C CG . ARG A 1 44 . -16.35 57.879 59.143 1 24.95 ? CG ARG A 44 1 -ATOM 287 C CD . ARG A 1 44 . -16.741 57.776 60.605 1 19.41 ? CD ARG A 44 1 -ATOM 288 N NE . ARG A 1 44 . -17.507 58.934 61.005 1 20.92 ? NE ARG A 44 1 -ATOM 289 C CZ . ARG A 1 44 . -18.057 58.982 62.228 1 25.75 ? CZ ARG A 44 1 -ATOM 290 N NH1 . ARG A 1 44 . -17.995 57.949 63.063 1 20.03 ? NH1 ARG A 44 1 -ATOM 291 N NH2 . ARG A 1 44 . -18.688 60.079 62.62 1 28.74 ? NH2 ARG A 44 1 -ATOM 292 N N . PHE A 1 45 . -14.874 56.43 56.432 1 22.58 ? N PHE A 45 1 -ATOM 293 C CA . PHE A 1 45 . -13.973 55.303 56.241 1 24.6 ? CA PHE A 45 1 -ATOM 294 C C . PHE A 1 45 . -13.869 54.856 54.801 1 26.95 ? C PHE A 45 1 -ATOM 295 O O . PHE A 1 45 . -12.971 54.09 54.462 1 32.12 ? O PHE A 45 1 -ATOM 296 C CB . PHE A 1 45 . -14.279 54.062 57.117 1 24.86 ? CB PHE A 45 1 -ATOM 297 C CG . PHE A 1 45 . -14.422 54.432 58.584 1 31.63 ? CG PHE A 45 1 -ATOM 298 C CD1 . PHE A 1 45 . -13.381 55.119 59.26 1 29.49 ? CD1 PHE A 45 1 -ATOM 299 C CD2 . PHE A 1 45 . -15.605 54.12 59.289 1 29.74 ? CD2 PHE A 45 1 -ATOM 300 C CE1 . PHE A 1 45 . -13.531 55.5 60.597 1 26.98 ? CE1 PHE A 45 1 -ATOM 301 C CE2 . PHE A 1 45 . -15.744 54.5 60.63 1 28.3 ? CE2 PHE A 45 1 -ATOM 302 C CZ . PHE A 1 45 . -14.716 55.196 61.278 1 26.58 ? CZ PHE A 45 1 -ATOM 303 N N . ARG A 1 46 . -14.77 55.33 53.947 1 26.89 ? N ARG A 46 1 -ATOM 304 C CA . ARG A 1 46 . -14.704 54.881 52.56 1 25.38 ? CA ARG A 46 1 -ATOM 305 C C . ARG A 1 46 . -13.835 55.815 51.756 1 22.97 ? C ARG A 46 1 -ATOM 306 O O . ARG A 1 46 . -13.538 56.937 52.136 1 19.69 ? O ARG A 46 1 -ATOM 307 C CB . ARG A 1 46 . -16.095 54.907 51.956 1 30.17 ? CB ARG A 46 1 -ATOM 308 C CG . ARG A 1 46 . -16.952 53.785 52.545 1 36.6 ? CG ARG A 46 1 -ATOM 309 C CD . ARG A 1 46 . -18.289 53.639 51.817 1 45.15 ? CD ARG A 46 1 -ATOM 310 N NE . ARG A 1 46 . -18.359 52.39 51.078 1 50.41 ? NE ARG A 46 1 -ATOM 311 N N . ARG A 1 47 . -13.446 55.274 50.622 1 17.96 ? N ARG A 47 1 -ATOM 312 C CA . ARG A 1 47 . -12.572 56.029 49.722 1 13.93 ? CA ARG A 47 1 -ATOM 313 C C . ARG A 1 47 . -13.318 57.269 49.231 1 10.14 ? C ARG A 47 1 -ATOM 314 O O . ARG A 1 47 . -14.526 57.161 49.107 1 14.08 ? O ARG A 47 1 -ATOM 315 C CB . ARG A 1 47 . -12.068 55.222 48.516 1 16.88 ? CB ARG A 47 1 -ATOM 316 C CG . ARG A 1 47 . -12.371 53.729 48.484 1 22.12 ? CG ARG A 47 1 -ATOM 317 C CD . ARG A 1 47 . -11.133 52.923 47.979 1 23.05 ? CD ARG A 47 1 -ATOM 318 N NE . ARG A 1 47 . -11.447 51.504 47.852 0.06 15.19 ? NE ARG A 47 1 -ATOM 319 C CZ . ARG A 1 47 . -10.463 50.635 47.534 0.06 12.62 ? CZ ARG A 47 1 -ATOM 320 N NH1 . ARG A 1 47 . -9.186 50.983 47.289 0.06 11.23 ? NH1 ARG A 47 1 -ATOM 321 N NH2 . ARG A 1 47 . -10.897 49.352 47.483 0.06 10.41 ? NH2 ARG A 47 1 -ATOM 322 N N . PRO A 1 48 . -12.618 58.367 48.935 1 6.34 ? N PRO A 48 1 -ATOM 323 C CA . PRO A 1 48 . -13.323 59.597 48.534 1 11.93 ? CA PRO A 48 1 -ATOM 324 C C . PRO A 1 48 . -13.937 59.577 47.126 1 16.79 ? C PRO A 48 1 -ATOM 325 O O . PRO A 1 48 . -13.374 59.012 46.195 1 17.1 ? O PRO A 48 1 -ATOM 326 C CB . PRO A 1 48 . -12.224 60.664 48.594 1 8.51 ? CB PRO A 48 1 -ATOM 327 C CG . PRO A 1 48 . -10.92 59.881 48.407 1 8.25 ? CG PRO A 48 1 -ATOM 328 C CD . PRO A 1 48 . -11.171 58.513 49.037 1 5.71 ? CD PRO A 48 1 -ATOM 329 N N . GLU A 1 49 . -15.109 60.234 46.973 1 20.27 ? N GLU A 49 1 -ATOM 330 C CA . GLU A 1 49 . -15.726 60.303 45.642 1 20.95 ? CA GLU A 49 1 -ATOM 331 C C . GLU A 1 49 . -15.296 61.616 45.036 1 20.57 ? C GLU A 49 1 -ATOM 332 O O . GLU A 1 49 . -15.185 62.573 45.792 1 21.43 ? O GLU A 49 1 -ATOM 333 C CB . GLU A 1 49 . -17.264 60.383 45.663 1 27.74 ? CB GLU A 49 1 -ATOM 334 C CG . GLU A 1 49 . -17.958 59.115 46.176 1 37.97 ? CG GLU A 49 1 -ATOM 335 C CD . GLU A 1 49 . -19.473 59.23 46.012 1 42.75 ? CD GLU A 49 1 -ATOM 336 O OE1 . GLU A 1 49 . -20.03 60.296 46.295 1 47.09 ? OE1 GLU A 49 1 -ATOM 337 O OE2 . GLU A 1 49 . -20.092 58.25 45.598 1 49.76 ? OE2 GLU A 49 1 -ATOM 338 N N . PRO A 1 50 . -15.143 61.696 43.692 1 19.49 ? N PRO A 50 1 -ATOM 339 C CA . PRO A 1 50 . -14.871 62.976 43.054 1 17.83 ? CA PRO A 50 1 -ATOM 340 C C . PRO A 1 50 . -16.095 63.827 43.265 1 22.18 ? C PRO A 50 1 -ATOM 341 O O . PRO A 1 50 . -17.208 63.309 43.296 1 26.65 ? O PRO A 50 1 -ATOM 342 C CB . PRO A 1 50 . -14.564 62.647 41.609 1 18.41 ? CB PRO A 50 1 -ATOM 343 C CG . PRO A 1 50 . -14.684 61.118 41.449 1 22.2 ? CG PRO A 50 1 -ATOM 344 C CD . PRO A 1 50 . -15.207 60.57 42.775 1 20.22 ? CD PRO A 50 1 -ATOM 345 N N . LYS A 1 51 . -15.878 65.129 43.433 1 24.77 ? N LYS A 51 1 -ATOM 346 C CA . LYS A 1 51 . -17.011 65.994 43.725 1 29.54 ? CA LYS A 51 1 -ATOM 347 C C . LYS A 1 51 . -17.92 66.304 42.558 1 33.14 ? C LYS A 51 1 -ATOM 348 O O . LYS A 1 51 . -17.46 66.654 41.482 1 36.22 ? O LYS A 51 1 -ATOM 349 C CB . LYS A 1 51 . -16.494 67.315 44.305 1 30.84 ? CB LYS A 51 1 -ATOM 350 C CG . LYS A 1 51 . -17.438 67.93 45.35 1 29.1 ? CG LYS A 51 1 -ATOM 351 C CD . LYS A 1 51 . -17.954 69.297 44.917 1 32.33 ? CD LYS A 51 1 -ATOM 352 C CE . LYS A 1 51 . -18.78 70.023 45.989 1 37.69 ? CE LYS A 51 1 -ATOM 353 N NZ . LYS A 1 51 . -19.987 69.282 46.342 1 44.09 ? NZ LYS A 51 1 -ATOM 354 N N . LYS A 1 52 . -19.237 66.214 42.814 1 33.86 ? N LYS A 52 1 -ATOM 355 C CA . LYS A 1 52 . -20.193 66.535 41.757 1 34.64 ? CA LYS A 52 1 -ATOM 356 C C . LYS A 1 52 . -20.045 68.015 41.406 1 34.51 ? C LYS A 52 1 -ATOM 357 O O . LYS A 1 52 . -19.902 68.825 42.311 1 32.61 ? O LYS A 52 1 -ATOM 358 C CB . LYS A 1 52 . -21.631 66.295 42.23 1 38.77 ? CB LYS A 52 1 -ATOM 359 C CG . LYS A 1 52 . -21.923 64.811 42.475 1 43.55 ? CG LYS A 52 1 -ATOM 360 C CD . LYS A 1 52 . -23.163 64.61 43.356 1 47.58 ? CD LYS A 52 1 -ATOM 361 C CE . LYS A 1 52 . -23.393 63.127 43.7 1 52.94 ? CE LYS A 52 1 -ATOM 362 N NZ . LYS A 1 52 . -24.124 62.998 44.953 1 56.7 ? NZ LYS A 52 1 -ATOM 363 N N . PRO A 1 53 . -20.056 68.371 40.105 1 35.14 ? N PRO A 53 1 -ATOM 364 C CA . PRO A 1 53 . -19.88 69.766 39.752 1 35.65 ? CA PRO A 53 1 -ATOM 365 C C . PRO A 1 53 . -20.983 70.593 40.35 1 36.92 ? C PRO A 53 1 -ATOM 366 O O . PRO A 1 53 . -22.042 70.101 40.731 1 37.97 ? O PRO A 53 1 -ATOM 367 C CB . PRO A 1 53 . -19.919 69.766 38.22 1 34.28 ? CB PRO A 53 1 -ATOM 368 C CG . PRO A 1 53 . -19.604 68.327 37.802 1 32.67 ? CG PRO A 53 1 -ATOM 369 C CD . PRO A 1 53 . -20.125 67.473 38.956 1 33.93 ? CD PRO A 53 1 -ATOM 370 N N . TRP A 1 54 . -20.715 71.881 40.395 1 37.83 ? N TRP A 54 1 -ATOM 371 C CA . TRP A 1 54 . -21.704 72.773 40.948 1 37.84 ? CA TRP A 54 1 -ATOM 372 C C . TRP A 1 54 . -22.015 73.853 39.924 1 41.97 ? C TRP A 54 1 -ATOM 373 O O . TRP A 1 54 . -21.31 74.126 38.951 1 41.63 ? O TRP A 54 1 -ATOM 374 C CB . TRP A 1 54 . -21.223 73.316 42.315 1 30.12 ? CB TRP A 54 1 -ATOM 375 C CG . TRP A 1 54 . -19.918 74.055 42.16 1 17.64 ? CG TRP A 54 1 -ATOM 376 C CD1 . TRP A 1 54 . -19.78 75.404 41.755 1 17.68 ? CD1 TRP A 54 1 -ATOM 377 C CD2 . TRP A 1 54 . -18.631 73.527 42.308 1 15.11 ? CD2 TRP A 54 1 -ATOM 378 N NE1 . TRP A 1 54 . -18.473 75.731 41.635 1 18.46 ? NE1 TRP A 54 1 -ATOM 379 C CE2 . TRP A 1 54 . -17.707 74.634 41.955 1 16.29 ? CE2 TRP A 54 1 -ATOM 380 C CE3 . TRP A 1 54 . -18.123 72.274 42.655 1 9.58 ? CE3 TRP A 54 1 -ATOM 381 C CZ2 . TRP A 1 54 . -16.324 74.409 41.983 1 12.62 ? CZ2 TRP A 54 1 -ATOM 382 C CZ3 . TRP A 1 54 . -16.732 72.09 42.666 1 8.82 ? CZ3 TRP A 54 1 -ATOM 383 C CH2 . TRP A 1 54 . -15.847 73.138 42.342 1 11.55 ? CH2 TRP A 54 1 -ATOM 384 N N . SER A 1 55 . -23.157 74.468 40.195 1 46.06 ? N SER A 55 1 -ATOM 385 C CA . SER A 1 55 . -23.649 75.549 39.372 1 48.87 ? CA SER A 55 1 -ATOM 386 C C . SER A 1 55 . -23.364 76.787 40.199 1 47.85 ? C SER A 55 1 -ATOM 387 O O . SER A 1 55 . -23.043 76.715 41.382 1 46.18 ? O SER A 55 1 -ATOM 388 C CB . SER A 1 55 . -25.153 75.354 39.109 1 51.18 ? CB SER A 55 1 -ATOM 389 O OG . SER A 1 55 . -25.787 74.843 40.292 1 58.54 ? OG SER A 55 1 -ATOM 390 N N . GLY A 1 56 . -23.508 77.943 39.575 1 46.29 ? N GLY A 56 1 -ATOM 391 C CA . GLY A 1 56 . -23.243 79.12 40.376 1 46.52 ? CA GLY A 56 1 -ATOM 392 C C . GLY A 1 56 . -21.763 79.303 40.447 1 43.81 ? C GLY A 56 1 -ATOM 393 O O . GLY A 1 56 . -21.016 78.78 39.623 1 46.74 ? O GLY A 56 1 -ATOM 394 N N . VAL A 1 57 . -21.377 80.089 41.434 1 39.39 ? N VAL A 57 1 -ATOM 395 C CA . VAL A 1 57 . -19.994 80.367 41.663 1 35.44 ? CA VAL A 57 1 -ATOM 396 C C . VAL A 1 57 . -19.775 79.847 43.07 1 38.08 ? C VAL A 57 1 -ATOM 397 O O . VAL A 1 57 . -20.596 80.025 43.964 1 37.4 ? O VAL A 57 1 -ATOM 398 C CB . VAL A 1 57 . -19.733 81.891 41.571 1 29.31 ? CB VAL A 57 1 -ATOM 399 C CG1 . VAL A 1 57 . -18.822 82.249 40.414 1 29.88 ? CG1 VAL A 57 1 -ATOM 400 C CG2 . VAL A 1 57 . -21.016 82.725 41.454 1 35.24 ? CG2 VAL A 57 1 -ATOM 401 N N . TRP A 1 58 . -18.641 79.18 43.258 1 38.8 ? N TRP A 58 1 -ATOM 402 C CA . TRP A 1 58 . -18.314 78.692 44.572 1 34.49 ? CA TRP A 58 1 -ATOM 403 C C . TRP A 1 58 . -17.604 79.887 45.168 1 35.37 ? C TRP A 58 1 -ATOM 404 O O . TRP A 1 58 . -16.763 80.508 44.513 1 36.57 ? O TRP A 58 1 -ATOM 405 C CB . TRP A 1 58 . -17.32 77.542 44.483 1 32.34 ? CB TRP A 58 1 -ATOM 406 C CG . TRP A 1 58 . -17.216 76.872 45.822 1 33.36 ? CG TRP A 58 1 -ATOM 407 C CD1 . TRP A 1 58 . -16.307 77.208 46.851 1 30.36 ? CD1 TRP A 58 1 -ATOM 408 C CD2 . TRP A 1 58 . -18.023 75.828 46.28 1 30.42 ? CD2 TRP A 58 1 -ATOM 409 N NE1 . TRP A 1 58 . -16.53 76.417 47.92 1 30.04 ? NE1 TRP A 58 1 -ATOM 410 C CE2 . TRP A 1 58 . -17.56 75.553 47.647 1 28.9 ? CE2 TRP A 58 1 -ATOM 411 C CE3 . TRP A 1 58 . -19.06 75.079 45.722 1 32.78 ? CE3 TRP A 58 1 -ATOM 412 C CZ2 . TRP A 1 58 . -18.195 74.553 48.389 1 30.89 ? CZ2 TRP A 58 1 -ATOM 413 C CZ3 . TRP A 1 58 . -19.668 74.071 46.487 1 34.22 ? CZ3 TRP A 58 1 -ATOM 414 C CH2 . TRP A 1 58 . -19.244 73.819 47.804 1 35.78 ? CH2 TRP A 58 1 -ATOM 415 N N . ASN A 1 59 . -17.961 80.227 46.395 1 34.61 ? N ASN A 59 1 -ATOM 416 C CA . ASN A 1 59 . -17.306 81.37 47.007 1 32.65 ? CA ASN A 59 1 -ATOM 417 C C . ASN A 1 59 . -16.065 80.811 47.645 1 30.32 ? C ASN A 59 1 -ATOM 418 O O . ASN A 1 59 . -16.183 79.977 48.525 1 33.22 ? O ASN A 59 1 -ATOM 419 C CB . ASN A 1 59 . -18.226 81.979 48.075 1 37.84 ? CB ASN A 59 1 -ATOM 420 C CG . ASN A 1 59 . -17.671 83.293 48.596 1 42.52 ? CG ASN A 59 1 -ATOM 421 O OD1 . ASN A 1 59 . -17.007 83.365 49.615 1 47.22 ? OD1 ASN A 59 1 -ATOM 422 N ND2 . ASN A 1 59 . -17.927 84.356 47.842 1 44.27 ? ND2 ASN A 59 1 -ATOM 423 N N . ALA A 1 60 . -14.896 81.244 47.205 1 24.99 ? N ALA A 60 1 -ATOM 424 C CA . ALA A 1 60 . -13.669 80.73 47.765 1 23.98 ? CA ALA A 60 1 -ATOM 425 C C . ALA A 1 60 . -12.939 81.819 48.482 1 27.18 ? C ALA A 60 1 -ATOM 426 O O . ALA A 1 60 . -11.769 82.062 48.199 1 27.44 ? O ALA A 60 1 -ATOM 427 C CB . ALA A 1 60 . -12.767 80.191 46.652 1 26.41 ? CB ALA A 60 1 -ATOM 428 N N . SER A 1 61 . -13.642 82.467 49.421 1 31.48 ? N SER A 61 1 -ATOM 429 C CA . SER A 1 61 . -13.04 83.578 50.173 1 32.86 ? CA SER A 61 1 -ATOM 430 C C . SER A 1 61 . -12.625 83.304 51.622 1 34.53 ? C SER A 61 1 -ATOM 431 O O . SER A 1 61 . -12.053 84.157 52.298 1 36.5 ? O SER A 61 1 -ATOM 432 C CB . SER A 1 61 . -14.065 84.73 50.228 1 31.96 ? CB SER A 61 1 -ATOM 433 O OG . SER A 1 61 . -14.657 84.951 48.941 1 38.85 ? OG SER A 61 1 -ATOM 434 N N . THR A 1 62 . -12.931 82.118 52.137 1 33.87 ? N THR A 62 1 -ATOM 435 C CA . THR A 1 62 . -12.587 81.857 53.529 1 30.62 ? CA THR A 62 1 -ATOM 436 C C . THR A 1 62 . -11.978 80.477 53.615 1 28.79 ? C THR A 62 1 -ATOM 437 O O . THR A 1 62 . -12.095 79.707 52.675 1 32.61 ? O THR A 62 1 -ATOM 438 C CB . THR A 1 62 . -13.883 82.017 54.348 1 31.32 ? CB THR A 62 1 -ATOM 439 O OG1 . THR A 1 62 . -14.976 81.404 53.663 1 29.68 ? OG1 THR A 62 1 -ATOM 440 C CG2 . THR A 1 62 . -14.286 83.49 54.576 1 31.03 ? CG2 THR A 62 1 -ATOM 441 N N . TYR A 1 63 . -11.3 80.174 54.729 1 25.93 ? N TYR A 63 1 -ATOM 442 C CA . TYR A 1 63 . -10.717 78.836 54.813 1 19.78 ? CA TYR A 63 1 -ATOM 443 C C . TYR A 1 63 . -11.796 77.818 55.072 1 18.69 ? C TYR A 63 1 -ATOM 444 O O . TYR A 1 63 . -12.836 78.14 55.619 1 18.46 ? O TYR A 63 1 -ATOM 445 C CB . TYR A 1 63 . -9.722 78.71 55.951 1 15.15 ? CB TYR A 63 1 -ATOM 446 C CG . TYR A 1 63 . -8.453 79.424 55.622 1 15.43 ? CG TYR A 63 1 -ATOM 447 C CD1 . TYR A 1 63 . -7.489 78.794 54.827 1 15.81 ? CD1 TYR A 63 1 -ATOM 448 C CD2 . TYR A 1 63 . -8.225 80.72 56.109 1 17.62 ? CD2 TYR A 63 1 -ATOM 449 C CE1 . TYR A 1 63 . -6.285 79.443 54.537 1 19.43 ? CE1 TYR A 63 1 -ATOM 450 C CE2 . TYR A 1 63 . -7.024 81.375 55.809 1 20.65 ? CE2 TYR A 63 1 -ATOM 451 C CZ . TYR A 1 63 . -6.048 80.737 55.025 1 19.7 ? CZ TYR A 63 1 -ATOM 452 O OH . TYR A 1 63 . -4.857 81.38 54.735 1 24.19 ? OH TYR A 63 1 -ATOM 453 N N . PRO A 1 64 . -11.522 76.573 54.693 1 19.06 ? N PRO A 64 1 -ATOM 454 C CA . PRO A 1 64 . -12.468 75.517 55.001 1 20.68 ? CA PRO A 64 1 -ATOM 455 C C . PRO A 1 64 . -12.327 75.036 56.444 1 18.38 ? C PRO A 64 1 -ATOM 456 O O . PRO A 1 64 . -11.485 75.45 57.224 1 17.54 ? O PRO A 64 1 -ATOM 457 C CB . PRO A 1 64 . -12.081 74.422 53.982 1 22.54 ? CB PRO A 64 1 -ATOM 458 C CG . PRO A 1 64 . -10.591 74.661 53.665 1 21.58 ? CG PRO A 64 1 -ATOM 459 C CD . PRO A 1 64 . -10.386 76.162 53.866 1 19.54 ? CD PRO A 64 1 -ATOM 460 N N . ASN A 1 65 . -13.221 74.112 56.766 1 20.56 ? N ASN A 65 1 -ATOM 461 C CA . ASN A 1 65 . -13.196 73.527 58.091 1 23.26 ? CA ASN A 65 1 -ATOM 462 C C . ASN A 1 65 . -11.989 72.626 58.109 1 22.74 ? C ASN A 65 1 -ATOM 463 O O . ASN A 1 65 . -11.47 72.232 57.067 1 23.75 ? O ASN A 65 1 -ATOM 464 C CB . ASN A 1 65 . -14.439 72.651 58.366 1 27.73 ? CB ASN A 65 1 -ATOM 465 C CG . ASN A 1 65 . -15.731 73.455 58.323 1 36.61 ? CG ASN A 65 1 -ATOM 466 O OD1 . ASN A 1 65 . -15.859 74.583 58.789 1 37.06 ? OD1 ASN A 65 1 -ATOM 467 N ND2 . ASN A 1 65 . -16.725 72.834 57.702 1 40.45 ? ND2 ASN A 65 1 -ATOM 468 N N . ASN A 1 66 . -11.573 72.259 59.314 1 21.64 ? N ASN A 66 1 -ATOM 469 C CA . ASN A 1 66 . -10.423 71.387 59.44 1 16.44 ? CA ASN A 66 1 -ATOM 470 C C . ASN A 1 66 . -10.979 70.013 59.711 1 16.55 ? C ASN A 66 1 -ATOM 471 O O . ASN A 1 66 . -12.11 69.833 60.146 1 14.3 ? O ASN A 66 1 -ATOM 472 C CB . ASN A 1 66 . -9.482 71.882 60.547 1 16.96 ? CB ASN A 66 1 -ATOM 473 C CG . ASN A 1 66 . -8.813 73.191 60.115 1 18.49 ? CG ASN A 66 1 -ATOM 474 O OD1 . ASN A 1 66 . -8.817 73.579 58.965 1 26.03 ? OD1 ASN A 66 1 -ATOM 475 N ND2 . ASN A 1 66 . -8.183 73.894 61.037 1 16.89 ? ND2 ASN A 66 1 -ATOM 476 N N . CYS A 1 67 . -10.185 68.993 59.417 1 17.25 ? N CYS A 67 1 -ATOM 477 C CA . CYS A 1 67 . -10.706 67.656 59.682 1 18.57 ? CA CYS A 67 1 -ATOM 478 C C . CYS A 1 67 . -10.667 67.45 61.184 1 19.81 ? C CYS A 67 1 -ATOM 479 O O . CYS A 1 67 . -9.984 68.203 61.875 1 20.61 ? O CYS A 67 1 -ATOM 480 C CB . CYS A 1 67 . -9.863 66.601 58.96 1 17.42 ? CB CYS A 67 1 -ATOM 481 S SG . CYS A 1 67 . -9.905 66.802 57.151 1 18.98 ? SG CYS A 67 1 -ATOM 482 N N . GLN A 1 68 . -11.393 66.439 61.675 1 17.55 ? N GLN A 68 1 -ATOM 483 C CA . GLN A 1 68 . -11.407 66.168 63.091 1 17.18 ? CA GLN A 68 1 -ATOM 484 C C . GLN A 1 68 . -10.043 65.664 63.483 1 19.88 ? C GLN A 68 1 -ATOM 485 O O . GLN A 1 68 . -9.417 64.953 62.712 1 21.99 ? O GLN A 68 1 -ATOM 486 C CB . GLN A 1 68 . -12.416 65.039 63.353 1 15.22 ? CB GLN A 68 1 -ATOM 487 C CG . GLN A 1 68 . -13.847 65.325 62.915 1 18.79 ? CG GLN A 68 1 -ATOM 488 C CD . GLN A 1 68 . -14.639 66.144 63.915 1 21.79 ? CD GLN A 68 1 -ATOM 489 O OE1 . GLN A 1 68 . -15.813 65.936 64.118 1 25.17 ? OE1 GLN A 68 1 -ATOM 490 N NE2 . GLN A 1 68 . -14.006 67.092 64.571 1 21.53 ? NE2 GLN A 68 1 -ATOM 491 N N . GLN A 1 69 . -9.585 66.025 64.673 1 20.12 ? N GLN A 69 1 -ATOM 492 C CA . GLN A 1 69 . -8.279 65.555 65.08 1 18.14 ? CA GLN A 69 1 -ATOM 493 C C . GLN A 1 69 . -8.147 65.827 66.551 1 17.2 ? C GLN A 69 1 -ATOM 494 O O . GLN A 1 69 . -9.001 66.466 67.156 1 19.15 ? O GLN A 69 1 -ATOM 495 C CB . GLN A 1 69 . -7.197 66.296 64.294 1 13.21 ? CB GLN A 69 1 -ATOM 496 C CG . GLN A 1 69 . -7.408 67.813 64.392 1 13.01 ? CG GLN A 69 1 -ATOM 497 C CD . GLN A 1 69 . -6.498 68.483 63.423 1 16.68 ? CD GLN A 69 1 -ATOM 498 O OE1 . GLN A 1 69 . -5.318 68.723 63.68 1 11.84 ? OE1 GLN A 69 1 -ATOM 499 N NE2 . GLN A 1 69 . -7.09 68.699 62.256 1 13.06 ? NE2 GLN A 69 1 -ATOM 500 N N . TYR A 1 70 . -7.044 65.343 67.113 1 14.49 ? N TYR A 70 1 -ATOM 501 C CA . TYR A 1 70 . -6.79 65.538 68.513 1 12.98 ? CA TYR A 70 1 -ATOM 502 C C . TYR A 1 70 . -6.205 66.938 68.694 1 15.14 ? C TYR A 70 1 -ATOM 503 O O . TYR A 1 70 . -5.191 67.281 68.101 1 14.54 ? O TYR A 70 1 -ATOM 504 C CB . TYR A 1 70 . -5.84 64.438 68.969 1 12.17 ? CB TYR A 70 1 -ATOM 505 C CG . TYR A 1 70 . -5.233 64.737 70.316 1 23.88 ? CG TYR A 70 1 -ATOM 506 C CD1 . TYR A 1 70 . -5.991 64.599 71.488 1 25.6 ? CD1 TYR A 70 1 -ATOM 507 C CD2 . TYR A 1 70 . -3.895 65.176 70.399 1 30.1 ? CD2 TYR A 70 1 -ATOM 508 C CE1 . TYR A 1 70 . -5.41 64.871 72.737 1 33.68 ? CE1 TYR A 70 1 -ATOM 509 C CE2 . TYR A 1 70 . -3.309 65.448 71.647 1 34.94 ? CE2 TYR A 70 1 -ATOM 510 C CZ . TYR A 1 70 . -4.068 65.298 72.822 1 37.28 ? CZ TYR A 70 1 -ATOM 511 O OH . TYR A 1 70 . -3.512 65.59 74.064 1 42.92 ? OH TYR A 70 1 -ATOM 512 N N . VAL A 1 71 . -6.861 67.738 69.544 1 15.09 ? N VAL A 71 1 -ATOM 513 C CA . VAL A 1 71 . -6.376 69.079 69.781 1 17.72 ? CA VAL A 71 1 -ATOM 514 C C . VAL A 1 71 . -5.276 68.956 70.821 1 20.76 ? C VAL A 71 1 -ATOM 515 O O . VAL A 1 71 . -5.424 68.232 71.802 1 23.36 ? O VAL A 71 1 -ATOM 516 C CB . VAL A 1 71 . -7.523 69.971 70.266 1 13.32 ? CB VAL A 71 1 -ATOM 517 C CG1 . VAL A 1 71 . -7.165 71.45 70.135 1 14.34 ? CG1 VAL A 71 1 -ATOM 518 C CG2 . VAL A 1 71 . -8.824 69.702 69.504 1 20.84 ? CG2 VAL A 71 1 -ATOM 519 N N . ASP A 1 72 . -4.183 69.698 70.626 1 20.45 ? N ASP A 72 1 -ATOM 520 C CA . ASP A 1 72 . -3.127 69.544 71.594 1 21.84 ? CA ASP A 72 1 -ATOM 521 C C . ASP A 1 72 . -3.302 70.556 72.658 1 26.3 ? C ASP A 72 1 -ATOM 522 O O . ASP A 1 72 . -3.206 71.743 72.396 1 30.97 ? O ASP A 72 1 -ATOM 523 C CB . ASP A 1 72 . -1.754 69.806 70.955 1 20.11 ? CB ASP A 72 1 -ATOM 524 C CG . ASP A 1 72 . -0.569 69.712 71.938 1 16.69 ? CG ASP A 72 1 -ATOM 525 O OD1 . ASP A 1 72 . -0.73 69.182 73.035 1 14.3 ? OD1 ASP A 72 1 -ATOM 526 O OD2 . ASP A 1 72 . 0.509 70.179 71.599 1 15.91 ? OD2 ASP A 72 1 -ATOM 527 N N . GLU A 1 73 . -3.506 70.103 73.893 1 26.74 ? N GLU A 73 1 -ATOM 528 C CA . GLU A 1 73 . -3.64 71.101 74.945 1 27.99 ? CA GLU A 73 1 -ATOM 529 C C . GLU A 1 73 . -2.727 70.78 76.094 1 27.05 ? C GLU A 73 1 -ATOM 530 O O . GLU A 1 73 . -3.059 70.917 77.258 1 29.33 ? O GLU A 73 1 -ATOM 531 C CB . GLU A 1 73 . -5.101 71.421 75.302 1 27.16 ? CB GLU A 73 1 -ATOM 532 C CG . GLU A 1 73 . -5.977 70.214 75.663 1 24.07 ? CG GLU A 73 1 -ATOM 533 C CD . GLU A 1 73 . -7.451 70.568 75.563 1 25.62 ? CD GLU A 73 1 -ATOM 534 O OE1 . GLU A 1 73 . -7.784 71.736 75.339 1 26.72 ? OE1 GLU A 73 1 -ATOM 535 O OE2 . GLU A 1 73 . -8.264 69.66 75.686 1 28.37 ? OE2 GLU A 73 1 -ATOM 536 N N . GLN A 1 74 . -1.517 70.335 75.725 1 24.18 ? N GLN A 74 1 -ATOM 537 C CA . GLN A 1 74 . -0.546 70.019 76.766 1 19.75 ? CA GLN A 74 1 -ATOM 538 C C . GLN A 1 74 . 0.044 71.294 77.338 1 19.07 ? C GLN A 74 1 -ATOM 539 O O . GLN A 1 74 . 0.621 71.275 78.414 1 27.55 ? O GLN A 74 1 -ATOM 540 C CB . GLN A 1 74 . 0.568 69.058 76.295 1 17.91 ? CB GLN A 74 1 -ATOM 541 C CG . GLN A 1 74 . 1.124 68.127 77.404 1 15.27 ? CG GLN A 74 1 -ATOM 542 C CD . GLN A 1 74 . 1.981 68.819 78.458 1 19.09 ? CD GLN A 74 1 -ATOM 543 N N . PHE A 1 75 . -0.054 72.391 76.599 1 16.81 ? N PHE A 75 1 -ATOM 544 C CA . PHE A 1 75 . 0.473 73.652 77.11 1 14.63 ? CA PHE A 75 1 -ATOM 545 C C . PHE A 1 75 . -0.519 74.701 76.67 1 15.75 ? C PHE A 75 1 -ATOM 546 O O . PHE A 1 75 . -0.237 75.476 75.759 1 12.66 ? O PHE A 75 1 -ATOM 547 C CB . PHE A 1 75 . 1.868 73.986 76.534 1 15.63 ? CB PHE A 75 1 -ATOM 548 C CG . PHE A 1 75 . 2.928 72.957 76.865 1 18.37 ? CG PHE A 75 1 -ATOM 549 C CD1 . PHE A 1 75 . 3.598 72.994 78.1 1 20.71 ? CD1 PHE A 75 1 -ATOM 550 C CD2 . PHE A 1 75 . 3.258 71.951 75.946 1 18.7 ? CD2 PHE A 75 1 -ATOM 551 C CE1 . PHE A 1 75 . 4.584 72.045 78.399 1 19.08 ? CE1 PHE A 75 1 -ATOM 552 C CE2 . PHE A 1 75 . 4.235 70.996 76.251 1 18.19 ? CE2 PHE A 75 1 -ATOM 553 C CZ . PHE A 1 75 . 4.903 71.041 77.477 1 17.69 ? CZ PHE A 75 1 -ATOM 554 N N . PRO A 1 76 . -1.744 74.678 77.265 1 16.59 ? N PRO A 76 1 -ATOM 555 C CA . PRO A 1 76 . -2.817 75.523 76.755 1 14.83 ? CA PRO A 76 1 -ATOM 556 C C . PRO A 1 76 . -2.395 76.96 76.723 1 13.89 ? C PRO A 76 1 -ATOM 557 O O . PRO A 1 76 . -1.759 77.441 77.645 1 13.58 ? O PRO A 76 1 -ATOM 558 C CB . PRO A 1 76 . -3.987 75.306 77.719 1 8.91 ? CB PRO A 76 1 -ATOM 559 C CG . PRO A 1 76 . -3.7 73.971 78.406 1 14.56 ? CG PRO A 76 1 -ATOM 560 C CD . PRO A 1 76 . -2.166 73.842 78.392 1 16.53 ? CD PRO A 76 1 -ATOM 561 N N . GLY A 1 77 . -2.741 77.619 75.619 1 15.94 ? N GLY A 77 1 -ATOM 562 C CA . GLY A 1 77 . -2.389 79.024 75.478 1 19.13 ? CA GLY A 77 1 -ATOM 563 C C . GLY A 1 77 . -0.983 79.255 74.957 1 20.3 ? C GLY A 77 1 -ATOM 564 O O . GLY A 1 77 . -0.685 80.291 74.364 1 21.3 ? O GLY A 77 1 -ATOM 565 N N . PHE A 1 78 . -0.109 78.252 75.139 1 15.84 ? N PHE A 78 1 -ATOM 566 C CA . PHE A 1 78 . 1.246 78.45 74.67 1 12.27 ? CA PHE A 78 1 -ATOM 567 C C . PHE A 1 78 . 1.308 78.493 73.158 1 14.11 ? C PHE A 78 1 -ATOM 568 O O . PHE A 1 78 . 0.957 77.528 72.493 1 13.8 ? O PHE A 78 1 -ATOM 569 C CB . PHE A 1 78 . 2.119 77.307 75.17 1 5.3 ? CB PHE A 78 1 -ATOM 570 C CG . PHE A 1 78 . 3.577 77.446 74.816 1 2 ? CG PHE A 78 1 -ATOM 571 C CD1 . PHE A 1 78 . 4.231 78.684 74.89 1 2 ? CD1 PHE A 78 1 -ATOM 572 C CD2 . PHE A 1 78 . 4.3 76.31 74.427 1 4.23 ? CD2 PHE A 78 1 -ATOM 573 C CE1 . PHE A 1 78 . 5.597 78.78 74.589 1 4.27 ? CE1 PHE A 78 1 -ATOM 574 C CE2 . PHE A 1 78 . 5.664 76.406 74.135 1 2 ? CE2 PHE A 78 1 -ATOM 575 C CZ . PHE A 1 78 . 6.313 77.638 74.221 1 3.02 ? CZ PHE A 78 1 -ATOM 576 N N . SER A 1 79 . 1.815 79.598 72.611 1 14.75 ? N SER A 79 1 -ATOM 577 C CA . SER A 1 79 . 1.897 79.7 71.151 1 15.44 ? CA SER A 79 1 -ATOM 578 C C . SER A 1 79 . 2.697 78.584 70.502 1 14.29 ? C SER A 79 1 -ATOM 579 O O . SER A 1 79 . 2.311 78.023 69.49 1 16.49 ? O SER A 79 1 -ATOM 580 C CB . SER A 1 79 . 2.481 81.045 70.71 1 15.68 ? CB SER A 79 1 -ATOM 581 O OG . SER A 1 79 . 3.691 81.268 71.437 1 27.82 ? OG SER A 79 1 -ATOM 582 N N . GLY A 1 80 . 3.81 78.235 71.123 1 11.96 ? N GLY A 80 1 -ATOM 583 C CA . GLY A 1 80 . 4.616 77.182 70.527 1 13.22 ? CA GLY A 80 1 -ATOM 584 C C . GLY A 1 80 . 3.864 75.898 70.204 1 11.3 ? C GLY A 80 1 -ATOM 585 O O . GLY A 1 80 . 4.277 75.133 69.351 1 10.75 ? O GLY A 80 1 -ATOM 586 N N . SER A 1 81 . 2.763 75.636 70.908 1 13.86 ? N SER A 81 1 -ATOM 587 C CA . SER A 1 81 . 2.028 74.419 70.622 1 18.66 ? CA SER A 81 1 -ATOM 588 C C . SER A 1 81 . 0.785 74.773 69.848 1 19.99 ? C SER A 81 1 -ATOM 589 O O . SER A 1 81 . 0.384 74.134 68.881 1 22.67 ? O SER A 81 1 -ATOM 590 C CB . SER A 1 81 . 1.723 73.612 71.906 1 18.45 ? CB SER A 81 1 -ATOM 591 O OG . SER A 1 81 . 0.831 74.263 72.818 1 22.06 ? OG SER A 81 1 -ATOM 592 N N . GLU A 1 82 . 0.18 75.859 70.287 1 22.4 ? N GLU A 82 1 -ATOM 593 C CA . GLU A 1 82 . -1.04 76.335 69.685 1 25.67 ? CA GLU A 82 1 -ATOM 594 C C . GLU A 1 82 . -0.906 76.617 68.2 1 23.3 ? C GLU A 82 1 -ATOM 595 O O . GLU A 1 82 . -1.831 76.37 67.44 1 27.14 ? O GLU A 82 1 -ATOM 596 C CB . GLU A 1 82 . -1.532 77.605 70.422 1 32.47 ? CB GLU A 82 1 -ATOM 597 C CG . GLU A 1 82 . -1.881 77.416 71.915 1 36.84 ? CG GLU A 82 1 -ATOM 598 C CD . GLU A 1 82 . -3.27 76.83 72.117 1 43.72 ? CD GLU A 82 1 -ATOM 599 O OE1 . GLU A 1 82 . -3.543 75.763 71.555 1 46.39 ? OE1 GLU A 82 1 -ATOM 600 O OE2 . GLU A 1 82 . -4.068 77.443 72.835 1 46.73 ? OE2 GLU A 82 1 -ATOM 601 N N . MET A 1 83 . 0.248 77.12 67.78 1 18.06 ? N MET A 83 1 -ATOM 602 C CA . MET A 1 83 . 0.401 77.412 66.36 1 17.25 ? CA MET A 83 1 -ATOM 603 C C . MET A 1 83 . 0.068 76.234 65.434 1 17.9 ? C MET A 83 1 -ATOM 604 O O . MET A 1 83 . -0.217 76.428 64.259 1 21.67 ? O MET A 83 1 -ATOM 605 C CB . MET A 1 83 . 1.822 77.934 66.058 1 15.6 ? CB MET A 83 1 -ATOM 606 C CG . MET A 1 83 . 2.927 76.975 66.505 1 19.41 ? CG MET A 83 1 -ATOM 607 S SD . MET A 1 83 . 4.383 77.143 65.446 1 28.06 ? SD MET A 83 1 -ATOM 608 C CE . MET A 1 83 . 5.245 78.487 66.29 1 35.21 ? CE MET A 83 1 -ATOM 609 N N . TRP A 1 84 . 0.122 75.015 65.987 1 13.03 ? N TRP A 84 1 -ATOM 610 C CA . TRP A 1 84 . -0.154 73.823 65.211 1 10.68 ? CA TRP A 84 1 -ATOM 611 C C . TRP A 1 84 . -1.55 73.249 65.396 1 11.34 ? C TRP A 84 1 -ATOM 612 O O . TRP A 1 84 . -1.813 72.168 64.877 1 14.46 ? O TRP A 84 1 -ATOM 613 C CB . TRP A 1 84 . 0.789 72.67 65.625 1 11.48 ? CB TRP A 84 1 -ATOM 614 C CG . TRP A 1 84 . 2.245 73.044 65.576 1 11.73 ? CG TRP A 84 1 -ATOM 615 C CD1 . TRP A 1 84 . 3.028 73.442 66.672 1 10.38 ? CD1 TRP A 84 1 -ATOM 616 C CD2 . TRP A 1 84 . 3.062 73.098 64.437 1 12.68 ? CD2 TRP A 84 1 -ATOM 617 N NE1 . TRP A 1 84 . 4.277 73.747 66.266 1 9.3 ? NE1 TRP A 84 1 -ATOM 618 C CE2 . TRP A 1 84 . 4.378 73.566 64.911 1 12.27 ? CE2 TRP A 84 1 -ATOM 619 C CE3 . TRP A 1 84 . 2.858 72.867 63.071 1 14.19 ? CE3 TRP A 84 1 -ATOM 620 C CZ2 . TRP A 1 84 . 5.406 73.766 63.977 1 13.17 ? CZ2 TRP A 84 1 -ATOM 621 C CZ3 . TRP A 1 84 . 3.909 73.089 62.167 1 12.49 ? CZ3 TRP A 84 1 -ATOM 622 C CH2 . TRP A 1 84 . 5.167 73.528 62.615 1 12.78 ? CH2 TRP A 84 1 -ATOM 623 N N . ASN A 1 85 . -2.439 73.908 66.131 1 11.34 ? N ASN A 85 1 -ATOM 624 C CA . ASN A 1 85 . -3.767 73.296 66.338 1 14.49 ? CA ASN A 85 1 -ATOM 625 C C . ASN A 1 85 . -4.784 73.834 65.359 1 15.95 ? C ASN A 85 1 -ATOM 626 O O . ASN A 1 85 . -4.643 74.972 64.916 1 19.96 ? O ASN A 85 1 -ATOM 627 C CB . ASN A 1 85 . -4.309 73.642 67.73 1 19.34 ? CB ASN A 85 1 -ATOM 628 C CG . ASN A 1 85 . -3.765 72.718 68.778 1 22.6 ? CG ASN A 85 1 -ATOM 629 O OD1 . ASN A 1 85 . -2.968 71.846 68.502 1 26.16 ? OD1 ASN A 85 1 -ATOM 630 N ND2 . ASN A 1 85 . -4.202 72.907 70.003 1 26.67 ? ND2 ASN A 85 1 -ATOM 631 N N . PRO A 1 86 . -5.85 73.044 65.055 1 10.84 ? N PRO A 86 1 -ATOM 632 C CA . PRO A 1 86 . -6.83 73.496 64.089 1 12.43 ? CA PRO A 86 1 -ATOM 633 C C . PRO A 1 86 . -7.317 74.875 64.47 1 14.14 ? C PRO A 86 1 -ATOM 634 O O . PRO A 1 86 . -7.778 75.053 65.585 1 23.78 ? O PRO A 86 1 -ATOM 635 C CB . PRO A 1 86 . -7.953 72.437 64.107 1 8.3 ? CB PRO A 86 1 -ATOM 636 C CG . PRO A 1 86 . -7.633 71.487 65.26 1 7.62 ? CG PRO A 86 1 -ATOM 637 C CD . PRO A 1 86 . -6.166 71.751 65.639 1 12.16 ? CD PRO A 86 1 -ATOM 638 N N . ASN A 1 87 . -7.184 75.827 63.546 1 13.45 ? N ASN A 87 1 -ATOM 639 C CA . ASN A 1 87 . -7.612 77.184 63.822 1 11.93 ? CA ASN A 87 1 -ATOM 640 C C . ASN A 1 87 . -8.935 77.473 63.171 1 14.55 ? C ASN A 87 1 -ATOM 641 O O . ASN A 1 87 . -9.237 78.627 62.907 1 18.89 ? O ASN A 87 1 -ATOM 642 C CB . ASN A 1 87 . -6.571 78.188 63.3 1 14.24 ? CB ASN A 87 1 -ATOM 643 C CG . ASN A 1 87 . -6.456 78.117 61.801 1 16.61 ? CG ASN A 87 1 -ATOM 644 O OD1 . ASN A 1 87 . -6.933 77.187 61.179 1 21.68 ? OD1 ASN A 87 1 -ATOM 645 N ND2 . ASN A 1 87 . -5.786 79.091 61.213 1 23.1 ? ND2 ASN A 87 1 -ATOM 646 N N . ARG A 1 88 . -9.727 76.438 62.877 1 17.04 ? N ARG A 88 1 -ATOM 647 C CA . ARG A 1 88 . -11.026 76.615 62.228 1 16.41 ? CA ARG A 88 1 -ATOM 648 C C . ARG A 1 88 . -11.9 75.523 62.793 1 15.6 ? C ARG A 88 1 -ATOM 649 O O . ARG A 1 88 . -11.425 74.616 63.461 1 19.57 ? O ARG A 88 1 -ATOM 650 C CB . ARG A 1 88 . -10.897 76.429 60.692 1 18.43 ? CB ARG A 88 1 -ATOM 651 C CG . ARG A 1 88 . -10.398 77.678 59.953 1 18.59 ? CG ARG A 88 1 -ATOM 652 C CD . ARG A 1 88 . -11.553 78.663 59.658 1 25.23 ? CD ARG A 88 1 -ATOM 653 N NE . ARG A 1 88 . -11.109 79.955 59.127 1 30.01 ? NE ARG A 88 1 -ATOM 654 C CZ . ARG A 1 88 . -10.173 80.693 59.756 1 28.05 ? CZ ARG A 88 1 -ATOM 655 N N . GLU A 1 89 . -13.204 75.606 62.516 1 14.4 ? N GLU A 89 1 -ATOM 656 C CA . GLU A 1 89 . -14.088 74.573 63.058 1 14.71 ? CA GLU A 89 1 -ATOM 657 C C . GLU A 1 89 . -13.716 73.272 62.445 1 12.51 ? C GLU A 89 1 -ATOM 658 O O . GLU A 1 89 . -13.467 73.181 61.256 1 15.65 ? O GLU A 89 1 -ATOM 659 C CB . GLU A 1 89 . -15.585 74.844 62.744 1 19.87 ? CB GLU A 89 1 -ATOM 660 C CG . GLU A 1 89 . -16.649 73.877 63.346 1 26.55 ? CG GLU A 89 1 -ATOM 661 N N . MET A 1 90 . -13.654 72.264 63.28 1 12.4 ? N MET A 90 1 -ATOM 662 C CA . MET A 1 90 . -13.329 70.979 62.735 1 12.4 ? CA MET A 90 1 -ATOM 663 C C . MET A 1 90 . -14.657 70.444 62.245 1 13.29 ? C MET A 90 1 -ATOM 664 O O . MET A 1 90 . -15.685 70.875 62.764 1 11.14 ? O MET A 90 1 -ATOM 665 C CB . MET A 1 90 . -12.753 70.062 63.817 1 13.61 ? CB MET A 90 1 -ATOM 666 C CG . MET A 1 90 . -11.597 70.693 64.597 1 13.67 ? CG MET A 90 1 -ATOM 667 S SD . MET A 1 90 . -10.606 69.351 65.317 1 19.43 ? SD MET A 90 1 -ATOM 668 C CE . MET A 1 90 . -11.676 68.792 66.655 1 20.51 ? CE MET A 90 1 -ATOM 669 N N . SER A 1 91 . -14.617 69.531 61.273 1 13.06 ? N SER A 91 1 -ATOM 670 C CA . SER A 1 91 . -15.811 68.921 60.732 1 14.99 ? CA SER A 91 1 -ATOM 671 C C . SER A 1 91 . -15.326 67.704 59.97 1 15.19 ? C SER A 91 1 -ATOM 672 O O . SER A 1 91 . -14.161 67.604 59.592 1 14.69 ? O SER A 91 1 -ATOM 673 C CB . SER A 1 91 . -16.52 69.899 59.763 1 18.9 ? CB SER A 91 1 -ATOM 674 O OG . SER A 1 91 . -17.801 69.436 59.296 1 25.45 ? OG SER A 91 1 -ATOM 675 N N . GLU A 1 92 . -16.25 66.746 59.745 1 13.93 ? N GLU A 92 1 -ATOM 676 C CA . GLU A 1 92 . -15.851 65.579 58.959 1 13.9 ? CA GLU A 92 1 -ATOM 677 C C . GLU A 1 92 . -15.772 66.009 57.501 1 18.57 ? C GLU A 92 1 -ATOM 678 O O . GLU A 1 92 . -15.003 65.503 56.698 1 20.05 ? O GLU A 92 1 -ATOM 679 C CB . GLU A 1 92 . -16.781 64.389 59.12 1 10.43 ? CB GLU A 92 1 -ATOM 680 C CG . GLU A 1 92 . -16.496 63.628 60.415 1 12.39 ? CG GLU A 92 1 -ATOM 681 C CD . GLU A 1 92 . -17.146 62.256 60.346 1 13.13 ? CD GLU A 92 1 -ATOM 682 O OE1 . GLU A 1 92 . -18.335 62.159 60.636 1 10.48 ? OE1 GLU A 92 1 -ATOM 683 O OE2 . GLU A 1 92 . -16.46 61.294 59.986 1 16.23 ? OE2 GLU A 92 1 -ATOM 684 N N . ASP A 1 93 . -16.625 66.984 57.189 1 17.71 ? N ASP A 93 1 -ATOM 685 C CA . ASP A 1 93 . -16.665 67.591 55.878 1 17.64 ? CA ASP A 93 1 -ATOM 686 C C . ASP A 1 93 . -15.462 68.539 55.844 1 19.89 ? C ASP A 93 1 -ATOM 687 O O . ASP A 1 93 . -15.565 69.715 56.197 1 20.41 ? O ASP A 93 1 -ATOM 688 C CB . ASP A 1 93 . -17.978 68.384 55.757 1 17.65 ? CB ASP A 93 1 -ATOM 689 C CG . ASP A 1 93 . -18.136 69.104 54.433 1 23.35 ? CG ASP A 93 1 -ATOM 690 O OD1 . ASP A 1 93 . -17.123 69.476 53.846 1 22 ? OD1 ASP A 93 1 -ATOM 691 O OD2 . ASP A 1 93 . -19.273 69.294 53.993 1 26.9 ? OD2 ASP A 93 1 -ATOM 692 N N . CYS A 1 94 . -14.311 68.01 55.427 1 18.5 ? N CYS A 94 1 -ATOM 693 C CA . CYS A 1 94 . -13.14 68.872 55.416 1 18.58 ? CA CYS A 94 1 -ATOM 694 C C . CYS A 1 94 . -12.241 68.687 54.217 1 20.84 ? C CYS A 94 1 -ATOM 695 O O . CYS A 1 94 . -11.129 69.207 54.206 1 24.77 ? O CYS A 94 1 -ATOM 696 C CB . CYS A 1 94 . -12.313 68.57 56.663 1 15.68 ? CB CYS A 94 1 -ATOM 697 S SG . CYS A 1 94 . -11.885 66.805 56.66 1 8.01 ? SG CYS A 94 1 -ATOM 698 N N . LEU A 1 95 . -12.699 67.928 53.211 1 17.6 ? N LEU A 95 1 -ATOM 699 C CA . LEU A 1 95 . -11.859 67.746 52.024 1 15.22 ? CA LEU A 95 1 -ATOM 700 C C . LEU A 1 95 . -12.026 68.932 51.043 1 13.32 ? C LEU A 95 1 -ATOM 701 O O . LEU A 1 95 . -12.969 68.98 50.253 1 14.93 ? O LEU A 95 1 -ATOM 702 C CB . LEU A 1 95 . -12.223 66.423 51.337 1 11.27 ? CB LEU A 95 1 -ATOM 703 C CG . LEU A 1 95 . -11.924 65.184 52.183 1 9.22 ? CG LEU A 95 1 -ATOM 704 C CD1 . LEU A 1 95 . -12.398 63.918 51.459 1 12.24 ? CD1 LEU A 95 1 -ATOM 705 C CD2 . LEU A 1 95 . -10.42 65.086 52.473 1 9.44 ? CD2 LEU A 95 1 -ATOM 706 N N . TYR A 1 96 . -11.101 69.895 51.13 1 9.45 ? N TYR A 96 1 -ATOM 707 C CA . TYR A 1 96 . -11.074 71.093 50.284 1 10.39 ? CA TYR A 96 1 -ATOM 708 C C . TYR A 1 96 . -9.627 71.405 50.015 1 9.24 ? C TYR A 96 1 -ATOM 709 O O . TYR A 1 96 . -8.755 70.757 50.572 1 11.56 ? O TYR A 96 1 -ATOM 710 C CB . TYR A 1 96 . -11.648 72.315 51.011 1 6.27 ? CB TYR A 96 1 -ATOM 711 C CG . TYR A 1 96 . -13.088 72.116 51.361 1 12.78 ? CG TYR A 96 1 -ATOM 712 C CD1 . TYR A 1 96 . -13.465 71.437 52.529 1 17.73 ? CD1 TYR A 96 1 -ATOM 713 C CD2 . TYR A 1 96 . -14.069 72.62 50.511 1 17.02 ? CD2 TYR A 96 1 -ATOM 714 C CE1 . TYR A 1 96 . -14.825 71.256 52.837 1 24.42 ? CE1 TYR A 96 1 -ATOM 715 C CE2 . TYR A 1 96 . -15.421 72.46 50.809 1 23.71 ? CE2 TYR A 96 1 -ATOM 716 C CZ . TYR A 1 96 . -15.807 71.768 51.968 1 25.91 ? CZ TYR A 96 1 -ATOM 717 O OH . TYR A 1 96 . -17.15 71.591 52.241 1 30.42 ? OH TYR A 96 1 -ATOM 718 N N . LEU A 1 97 . -9.366 72.384 49.156 1 7.65 ? N LEU A 97 1 -ATOM 719 C CA . LEU A 1 97 . -7.987 72.753 48.892 1 7.91 ? CA LEU A 97 1 -ATOM 720 C C . LEU A 1 97 . -7.95 74.249 48.762 1 9.01 ? C LEU A 97 1 -ATOM 721 O O . LEU A 1 97 . -8.992 74.87 48.596 1 10.81 ? O LEU A 97 1 -ATOM 722 C CB . LEU A 1 97 . -7.373 71.963 47.728 1 9.23 ? CB LEU A 97 1 -ATOM 723 C CG . LEU A 1 97 . -8.126 71.943 46.392 1 6.13 ? CG LEU A 97 1 -ATOM 724 C CD1 . LEU A 1 97 . -8.029 73.281 45.657 1 8.91 ? CD1 LEU A 97 1 -ATOM 725 C CD2 . LEU A 1 97 . -7.571 70.818 45.512 1 3.47 ? CD2 LEU A 97 1 -ATOM 726 N N . ASN A 1 98 . -6.752 74.834 48.859 1 11.33 ? N ASN A 98 1 -ATOM 727 C CA . ASN A 1 98 . -6.601 76.3 48.768 1 13.7 ? CA ASN A 98 1 -ATOM 728 C C . ASN A 1 98 . -5.518 76.564 47.749 1 16.15 ? C ASN A 98 1 -ATOM 729 O O . ASN A 1 98 . -4.615 75.746 47.647 1 20.18 ? O ASN A 98 1 -ATOM 730 C CB . ASN A 1 98 . -6.149 76.913 50.122 1 17.58 ? CB ASN A 98 1 -ATOM 731 C CG . ASN A 1 98 . -6.964 76.389 51.307 1 18.01 ? CG ASN A 98 1 -ATOM 732 O OD1 . ASN A 1 98 . -8.144 76.679 51.485 1 12.42 ? OD1 ASN A 98 1 -ATOM 733 N ND2 . ASN A 1 98 . -6.307 75.544 52.103 1 16.23 ? ND2 ASN A 98 1 -ATOM 734 N N . ILE A 1 99 . -5.592 77.688 47.031 1 18.79 ? N ILE A 99 1 -ATOM 735 C CA . ILE A 1 99 . -4.629 78.04 45.997 1 15.69 ? CA ILE A 99 1 -ATOM 736 C C . ILE A 1 99 . -4.294 79.528 46.085 1 12.75 ? C ILE A 99 1 -ATOM 737 O O . ILE A 1 99 . -5.196 80.364 46.115 1 12.25 ? O ILE A 99 1 -ATOM 738 C CB . ILE A 1 99 . -5.339 77.82 44.625 1 21.08 ? CB ILE A 99 1 -ATOM 739 C CG1 . ILE A 1 99 . -6.118 76.476 44.526 1 22.08 ? CG1 ILE A 99 1 -ATOM 740 C CG2 . ILE A 1 99 . -4.408 78.076 43.422 1 20.15 ? CG2 ILE A 99 1 -ATOM 741 C CD1 . ILE A 1 99 . -6.87 76.28 43.201 1 26.01 ? CD1 ILE A 99 1 -ATOM 742 N N . TRP A 1 100 . -3.013 79.861 46.12 1 10.55 ? N TRP A 100 1 -ATOM 743 C CA . TRP A 1 100 . -2.637 81.271 46.144 1 17.45 ? CA TRP A 100 1 -ATOM 744 C C . TRP A 1 100 . -2.096 81.427 44.763 1 23.25 ? C TRP A 100 1 -ATOM 745 O O . TRP A 1 100 . -1.264 80.608 44.366 1 28.28 ? O TRP A 100 1 -ATOM 746 C CB . TRP A 1 100 . -1.524 81.61 47.157 1 18.88 ? CB TRP A 100 1 -ATOM 747 C CG . TRP A 1 100 . -2.133 81.683 48.538 1 18.39 ? CG TRP A 100 1 -ATOM 748 C CD1 . TRP A 1 100 . -2.729 82.828 49.114 1 18.87 ? CD1 TRP A 100 1 -ATOM 749 C CD2 . TRP A 1 100 . -2.332 80.619 49.423 1 16.27 ? CD2 TRP A 100 1 -ATOM 750 N NE1 . TRP A 1 100 . -3.304 82.509 50.294 1 20.89 ? NE1 TRP A 100 1 -ATOM 751 C CE2 . TRP A 1 100 . -3.111 81.179 50.541 1 14.55 ? CE2 TRP A 100 1 -ATOM 752 C CE3 . TRP A 1 100 . -2.01 79.26 49.404 1 17 ? CE3 TRP A 100 1 -ATOM 753 C CZ2 . TRP A 1 100 . -3.551 80.332 51.55 1 15.08 ? CZ2 TRP A 100 1 -ATOM 754 C CZ3 . TRP A 1 100 . -2.458 78.443 50.445 1 16.68 ? CZ3 TRP A 100 1 -ATOM 755 C CH2 . TRP A 1 100 . -3.225 78.966 51.5 1 20.05 ? CH2 TRP A 100 1 -ATOM 756 N N . VAL A 1 101 . -2.574 82.443 44.034 1 25.62 ? N VAL A 101 1 -ATOM 757 C CA . VAL A 1 101 . -2.14 82.667 42.646 1 23.97 ? CA VAL A 101 1 -ATOM 758 C C . VAL A 1 101 . -1.583 84.09 42.563 1 24.09 ? C VAL A 101 1 -ATOM 759 O O . VAL A 1 101 . -2.116 84.979 43.228 1 26.95 ? O VAL A 101 1 -ATOM 760 C CB . VAL A 1 101 . -3.342 82.445 41.686 1 21.2 ? CB VAL A 101 1 -ATOM 761 C CG1 . VAL A 1 101 . -2.914 82.45 40.222 1 22.08 ? CG1 VAL A 101 1 -ATOM 762 C CG2 . VAL A 1 101 . -4.116 81.135 41.97 1 21.41 ? CG2 VAL A 101 1 -ATOM 763 N N . PRO A 1 102 . -0.491 84.299 41.786 1 21.15 ? N PRO A 102 1 -ATOM 764 C CA . PRO A 1 102 . -0.021 85.659 41.549 1 21.79 ? CA PRO A 102 1 -ATOM 765 C C . PRO A 1 102 . -1.007 86.572 40.836 1 27.45 ? C PRO A 102 1 -ATOM 766 O O . PRO A 1 102 . -2.032 86.168 40.293 1 29.87 ? O PRO A 102 1 -ATOM 767 C CB . PRO A 1 102 . 1.267 85.476 40.748 1 18.71 ? CB PRO A 102 1 -ATOM 768 C CG . PRO A 1 102 . 1.739 84.039 41.042 1 19.23 ? CG PRO A 102 1 -ATOM 769 C CD . PRO A 1 102 . 0.455 83.261 41.369 1 21.1 ? CD PRO A 102 1 -ATOM 770 N N . SER A 1 103 . -0.639 87.853 40.861 1 31.89 ? N SER A 103 1 -ATOM 771 C CA . SER A 1 103 . -1.418 88.895 40.214 1 36.65 ? CA SER A 103 1 -ATOM 772 C C . SER A 1 103 . -0.335 89.673 39.495 1 40.27 ? C SER A 103 1 -ATOM 773 O O . SER A 1 103 . 0.624 90.067 40.149 1 45.43 ? O SER A 103 1 -ATOM 774 C CB . SER A 1 103 . -2.139 89.825 41.201 1 33.6 ? CB SER A 103 1 -ATOM 775 O OG . SER A 1 103 . -2.995 90.716 40.485 1 36.95 ? OG SER A 103 1 -ATOM 776 N N . PRO A 1 104 . -0.464 89.891 38.178 1 39.36 ? N PRO A 104 1 -ATOM 777 C CA . PRO A 1 104 . -1.536 89.364 37.338 1 34.51 ? CA PRO A 104 1 -ATOM 778 C C . PRO A 1 104 . -1.392 87.856 37.227 1 29.79 ? C PRO A 104 1 -ATOM 779 O O . PRO A 1 104 . -0.305 87.316 37.385 1 27.4 ? O PRO A 104 1 -ATOM 780 C CB . PRO A 1 104 . -1.295 90.051 35.988 1 39.4 ? CB PRO A 104 1 -ATOM 781 C CG . PRO A 1 104 . 0.176 90.518 35.995 1 40.72 ? CG PRO A 104 1 -ATOM 782 C CD . PRO A 1 104 . 0.561 90.646 37.471 1 40.1 ? CD PRO A 104 1 -ATOM 783 N N . ARG A 1 105 . -2.532 87.204 36.976 1 25.21 ? N ARG A 105 1 -ATOM 784 C CA . ARG A 1 105 . -2.52 85.753 36.84 1 25.56 ? CA ARG A 105 1 -ATOM 785 C C . ARG A 1 105 . -1.487 85.352 35.791 1 28.23 ? C ARG A 105 1 -ATOM 786 O O . ARG A 1 105 . -1.502 85.94 34.72 1 31.77 ? O ARG A 105 1 -ATOM 787 C CB . ARG A 1 105 . -3.902 85.296 36.371 1 23.36 ? CB ARG A 105 1 -ATOM 788 C CG . ARG A 1 105 . -4.102 83.777 36.413 1 25.28 ? CG ARG A 105 1 -ATOM 789 C CD . ARG A 1 105 . -5.452 83.331 35.826 1 33.93 ? CD ARG A 105 1 -ATOM 790 N NE . ARG A 1 105 . -6.571 84.129 36.333 1 38.86 ? NE ARG A 105 1 -ATOM 791 C CZ . ARG A 1 105 . -7.844 83.856 35.996 1 40.85 ? CZ ARG A 105 1 -ATOM 792 N NH1 . ARG A 1 105 . -8.146 82.852 35.176 1 45.02 ? NH1 ARG A 105 1 -ATOM 793 N NH2 . ARG A 1 105 . -8.831 84.6 36.485 1 41.71 ? NH2 ARG A 105 1 -ATOM 794 N N . PRO A 1 106 . -0.605 84.386 36.088 1 30.08 ? N PRO A 106 1 -ATOM 795 C CA . PRO A 1 106 . 0.352 83.921 35.084 1 30.73 ? CA PRO A 106 1 -ATOM 796 C C . PRO A 1 106 . -0.389 83.037 34.076 1 32.25 ? C PRO A 106 1 -ATOM 797 O O . PRO A 1 106 . -1.511 82.591 34.312 1 32.38 ? O PRO A 106 1 -ATOM 798 C CB . PRO A 1 106 . 1.4 83.14 35.902 1 30.25 ? CB PRO A 106 1 -ATOM 799 C CG . PRO A 1 106 . 0.702 82.765 37.223 1 31.36 ? CG PRO A 106 1 -ATOM 800 C CD . PRO A 1 106 . -0.475 83.744 37.389 1 29.44 ? CD PRO A 106 1 -ATOM 801 N N . LYS A 1 107 . 0.301 82.769 32.946 1 30.72 ? N LYS A 107 1 -ATOM 802 C CA . LYS A 1 107 . -0.264 81.958 31.873 1 27.34 ? CA LYS A 107 1 -ATOM 803 C C . LYS A 1 107 . -0.089 80.476 32.151 1 26.12 ? C LYS A 107 1 -ATOM 804 O O . LYS A 1 107 . -1.005 79.674 32.119 1 25.2 ? O LYS A 107 1 -ATOM 805 C CB . LYS A 1 107 . 0.287 82.423 30.53 1 28.41 ? CB LYS A 107 1 -ATOM 806 N N . SER A 1 108 . 1.144 80.134 32.43 1 25.79 ? N SER A 108 1 -ATOM 807 C CA . SER A 1 108 . 1.465 78.762 32.78 1 29.14 ? CA SER A 108 1 -ATOM 808 C C . SER A 1 108 . 2.701 78.929 33.61 1 30.57 ? C SER A 108 1 -ATOM 809 O O . SER A 1 108 . 3.641 79.517 33.095 1 30.49 ? O SER A 108 1 -ATOM 810 C CB . SER A 1 108 . 1.841 77.916 31.571 1 28.68 ? CB SER A 108 1 -ATOM 811 O OG . SER A 1 108 . 0.699 77.249 31.06 1 37.53 ? OG SER A 108 1 -ATOM 812 N N . THR A 1 109 . 2.696 78.444 34.861 1 29.7 ? N THR A 109 1 -ATOM 813 C CA . THR A 1 109 . 3.864 78.57 35.721 1 25.6 ? CA THR A 109 1 -ATOM 814 C C . THR A 1 109 . 3.887 77.365 36.631 1 25.96 ? C THR A 109 1 -ATOM 815 O O . THR A 1 109 . 2.918 76.606 36.626 1 28.79 ? O THR A 109 1 -ATOM 816 C CB . THR A 1 109 . 3.839 79.919 36.435 1 22.51 ? CB THR A 109 1 -ATOM 817 O OG1 . THR A 1 109 . 5.133 80.163 36.97 1 30.15 ? OG1 THR A 109 1 -ATOM 818 C CG2 . THR A 1 109 . 2.746 80.107 37.496 1 20.47 ? CG2 THR A 109 1 -ATOM 819 N N . THR A 1 110 . 4.999 77.202 37.372 1 20.3 ? N THR A 110 1 -ATOM 820 C CA . THR A 1 110 . 5.191 76.072 38.277 1 16.91 ? CA THR A 110 1 -ATOM 821 C C . THR A 1 110 . 4.161 76.062 39.382 1 16.26 ? C THR A 110 1 -ATOM 822 O O . THR A 1 110 . 3.648 77.099 39.804 1 16.76 ? O THR A 110 1 -ATOM 823 C CB . THR A 1 110 . 6.597 76.167 38.862 1 17.56 ? CB THR A 110 1 -ATOM 824 O OG1 . THR A 1 110 . 7.482 76.435 37.782 1 19.32 ? OG1 THR A 110 1 -ATOM 825 C CG2 . THR A 1 110 . 7.093 74.903 39.562 1 17.74 ? CG2 THR A 110 1 -ATOM 826 N N . VAL A 1 111 . 3.905 74.847 39.85 1 12.04 ? N VAL A 111 1 -ATOM 827 C CA . VAL A 1 111 . 2.933 74.65 40.884 1 12.71 ? CA VAL A 111 1 -ATOM 828 C C . VAL A 1 111 . 3.619 73.91 42.015 1 13.45 ? C VAL A 111 1 -ATOM 829 O O . VAL A 1 111 . 4.44 73.036 41.749 1 8.98 ? O VAL A 111 1 -ATOM 830 C CB . VAL A 1 111 . 1.822 73.79 40.267 1 10.48 ? CB VAL A 111 1 -ATOM 831 C CG1 . VAL A 1 111 . 0.65 73.518 41.209 1 17.35 ? CG1 VAL A 111 1 -ATOM 832 C CG2 . VAL A 1 111 . 1.294 74.387 38.961 1 10.89 ? CG2 VAL A 111 1 -ATOM 833 N N . MET A 1 112 . 3.268 74.27 43.272 1 13.92 ? N MET A 112 1 -ATOM 834 C CA . MET A 1 112 . 3.81 73.625 44.465 1 8.38 ? CA MET A 112 1 -ATOM 835 C C . MET A 1 112 . 2.588 73.253 45.273 1 10.42 ? C MET A 112 1 -ATOM 836 O O . MET A 1 112 . 1.78 74.125 45.58 1 12.73 ? O MET A 112 1 -ATOM 837 C CB . MET A 1 112 . 4.73 74.574 45.226 1 2.88 ? CB MET A 112 1 -ATOM 838 C CG . MET A 1 112 . 5.907 75.036 44.352 1 2 ? CG MET A 112 1 -ATOM 839 S SD . MET A 1 112 . 7.23 75.786 45.353 1 8.8 ? SD MET A 112 1 -ATOM 840 C CE . MET A 1 112 . 7.892 74.272 46.113 1 5.32 ? CE MET A 112 1 -ATOM 841 N N . VAL A 1 113 . 2.431 71.954 45.563 1 9.72 ? N VAL A 113 1 -ATOM 842 C CA . VAL A 1 113 . 1.284 71.466 46.333 1 9.94 ? CA VAL A 113 1 -ATOM 843 C C . VAL A 1 113 . 1.84 71.047 47.683 1 12.79 ? C VAL A 113 1 -ATOM 844 O O . VAL A 1 113 . 2.714 70.192 47.747 1 17.85 ? O VAL A 113 1 -ATOM 845 C CB . VAL A 1 113 . 0.7 70.192 45.662 1 8.48 ? CB VAL A 113 1 -ATOM 846 C CG1 . VAL A 1 113 . -0.476 69.582 46.422 1 5.76 ? CG1 VAL A 113 1 -ATOM 847 C CG2 . VAL A 1 113 . 0.339 70.337 44.185 1 5.88 ? CG2 VAL A 113 1 -ATOM 848 N N . TRP A 1 114 . 1.31 71.613 48.756 1 13.62 ? N TRP A 114 1 -ATOM 849 C CA . TRP A 1 114 . 1.767 71.319 50.113 1 13.84 ? CA TRP A 114 1 -ATOM 850 C C . TRP A 1 114 . 0.871 70.289 50.789 1 13.2 ? C TRP A 114 1 -ATOM 851 O O . TRP A 1 114 . -0.34 70.506 50.888 1 16.95 ? O TRP A 114 1 -ATOM 852 C CB . TRP A 1 114 . 1.693 72.653 50.908 1 15.62 ? CB TRP A 114 1 -ATOM 853 C CG . TRP A 1 114 . 2.009 72.493 52.386 1 16.04 ? CG TRP A 114 1 -ATOM 854 C CD1 . TRP A 1 114 . 1.093 72.608 53.465 1 16.62 ? CD1 TRP A 114 1 -ATOM 855 C CD2 . TRP A 1 114 . 3.257 72.186 52.94 1 12.64 ? CD2 TRP A 114 1 -ATOM 856 N NE1 . TRP A 1 114 . 1.724 72.376 54.643 1 14.39 ? NE1 TRP A 114 1 -ATOM 857 C CE2 . TRP A 1 114 . 3.044 72.106 54.395 1 10.99 ? CE2 TRP A 114 1 -ATOM 858 C CE3 . TRP A 1 114 . 4.52 71.943 52.408 1 12.85 ? CE3 TRP A 114 1 -ATOM 859 C CZ2 . TRP A 1 114 . 4.13 71.81 55.211 1 10.13 ? CZ2 TRP A 114 1 -ATOM 860 C CZ3 . TRP A 1 114 . 5.589 71.64 53.26 1 9.96 ? CZ3 TRP A 114 1 -ATOM 861 C CH2 . TRP A 1 114 . 5.392 71.573 54.643 1 9.36 ? CH2 TRP A 114 1 -ATOM 862 N N . ILE A 1 115 . 1.487 69.2 51.262 1 12.94 ? N ILE A 115 1 -ATOM 863 C CA . ILE A 1 115 . 0.812 68.126 51.991 1 11.91 ? CA ILE A 115 1 -ATOM 864 C C . ILE A 1 115 . 1.353 68.264 53.426 1 17.84 ? C ILE A 115 1 -ATOM 865 O O . ILE A 1 115 . 2.548 68.034 53.654 1 21.48 ? O ILE A 115 1 -ATOM 866 C CB . ILE A 1 115 . 1.185 66.764 51.38 1 8.5 ? CB ILE A 115 1 -ATOM 867 C CG1 . ILE A 1 115 . 1.022 66.806 49.833 1 6.95 ? CG1 ILE A 115 1 -ATOM 868 C CG2 . ILE A 1 115 . 0.438 65.597 52.059 1 2.5 ? CG2 ILE A 115 1 -ATOM 869 C CD1 . ILE A 1 115 . 1.134 65.447 49.121 1 5.12 ? CD1 ILE A 115 1 -ATOM 870 N N . TYR A 1 116 . 0.453 68.652 54.372 1 16.62 ? N TYR A 116 1 -ATOM 871 C CA . TYR A 1 116 . 0.81 68.865 55.784 1 11.94 ? CA TYR A 116 1 -ATOM 872 C C . TYR A 1 116 . 1.152 67.614 56.581 1 14.71 ? C TYR A 116 1 -ATOM 873 O O . TYR A 1 116 . 0.761 66.489 56.293 1 16.59 ? O TYR A 116 1 -ATOM 874 C CB . TYR A 1 116 . -0.278 69.648 56.545 1 9.8 ? CB TYR A 116 1 -ATOM 875 C CG . TYR A 1 116 . -1.647 69.008 56.579 1 8.1 ? CG TYR A 116 1 -ATOM 876 C CD1 . TYR A 1 116 . -1.881 67.74 57.158 1 9.71 ? CD1 TYR A 116 1 -ATOM 877 C CD2 . TYR A 1 116 . -2.725 69.704 56.022 1 7.13 ? CD2 TYR A 116 1 -ATOM 878 C CE1 . TYR A 1 116 . -3.169 67.182 57.164 1 6.62 ? CE1 TYR A 116 1 -ATOM 879 C CE2 . TYR A 1 116 . -4.006 69.153 56.019 1 3.94 ? CE2 TYR A 116 1 -ATOM 880 C CZ . TYR A 1 116 . -4.225 67.898 56.586 1 4.37 ? CZ TYR A 116 1 -ATOM 881 O OH . TYR A 1 116 . -5.5 67.391 56.594 1 10.79 ? OH TYR A 116 1 -ATOM 882 N N . GLY A 1 117 . 1.886 67.862 57.656 1 16.91 ? N GLY A 117 1 -ATOM 883 C CA . GLY A 1 117 . 2.315 66.812 58.55 1 14.98 ? CA GLY A 117 1 -ATOM 884 C C . GLY A 1 117 . 1.378 66.772 59.725 1 16.3 ? C GLY A 117 1 -ATOM 885 O O . GLY A 1 117 . 0.361 67.469 59.779 1 13.8 ? O GLY A 117 1 -ATOM 886 N N . GLY A 1 118 . 1.802 65.935 60.691 1 17.02 ? N GLY A 118 1 -ATOM 887 C CA . GLY A 1 118 . 1.026 65.735 61.919 1 11.44 ? CA GLY A 118 1 -ATOM 888 C C . GLY A 1 118 . 0.969 64.274 62.377 1 8.72 ? C GLY A 118 1 -ATOM 889 O O . GLY A 1 118 . -0.008 63.845 62.978 1 5.62 ? O GLY A 118 1 -ATOM 890 N N . GLY A 1 119 . 2.02 63.492 62.055 1 2 ? N GLY A 119 1 -ATOM 891 C CA . GLY A 1 119 . 1.985 62.085 62.487 1 5.94 ? CA GLY A 119 1 -ATOM 892 C C . GLY A 1 119 . 0.749 61.27 62.079 1 8.79 ? C GLY A 119 1 -ATOM 893 O O . GLY A 1 119 . 0.359 60.285 62.688 1 13.5 ? O GLY A 119 1 -ATOM 894 N N . PHE A 1 120 . 0.105 61.718 61.013 1 11.22 ? N PHE A 120 1 -ATOM 895 C CA . PHE A 1 120 . -1.093 61.067 60.49 1 12.14 ? CA PHE A 120 1 -ATOM 896 C C . PHE A 1 120 . -2.344 61.235 61.335 1 15.23 ? C PHE A 120 1 -ATOM 897 O O . PHE A 1 120 . -3.405 60.852 60.864 1 15.16 ? O PHE A 120 1 -ATOM 898 C CB . PHE A 1 120 . -0.898 59.592 60.086 1 11.92 ? CB PHE A 120 1 -ATOM 899 C CG . PHE A 1 120 . -0.021 59.437 58.865 1 11.41 ? CG PHE A 120 1 -ATOM 900 C CD1 . PHE A 1 120 . -0.517 59.828 57.608 1 11.7 ? CD1 PHE A 120 1 -ATOM 901 C CD2 . PHE A 1 120 . 1.272 58.896 58.957 1 12.73 ? CD2 PHE A 120 1 -ATOM 902 C CE1 . PHE A 1 120 . 0.257 59.674 56.456 1 11.52 ? CE1 PHE A 120 1 -ATOM 903 C CE2 . PHE A 1 120 . 2.049 58.734 57.798 1 14.44 ? CE2 PHE A 120 1 -ATOM 904 C CZ . PHE A 1 120 . 1.542 59.125 56.554 1 14.34 ? CZ PHE A 120 1 -ATOM 905 N N . TYR A 1 121 . -2.252 61.817 62.554 1 19.62 ? N TYR A 121 1 -ATOM 906 C CA . TYR A 1 121 . -3.43 62.023 63.438 1 13.61 ? CA TYR A 121 1 -ATOM 907 C C . TYR A 1 121 . -3.834 63.487 63.533 1 12.9 ? C TYR A 121 1 -ATOM 908 O O . TYR A 1 121 . -4.836 63.806 64.17 1 15.56 ? O TYR A 121 1 -ATOM 909 C CB . TYR A 1 121 . -3.222 61.517 64.891 1 11.91 ? CB TYR A 121 1 -ATOM 910 C CG . TYR A 1 121 . -2.162 62.299 65.637 1 11.99 ? CG TYR A 121 1 -ATOM 911 C CD1 . TYR A 1 121 . -0.821 61.913 65.545 1 12.64 ? CD1 TYR A 121 1 -ATOM 912 C CD2 . TYR A 1 121 . -2.498 63.446 66.378 1 8.96 ? CD2 TYR A 121 1 -ATOM 913 C CE1 . TYR A 1 121 . 0.169 62.668 66.173 1 16.39 ? CE1 TYR A 121 1 -ATOM 914 C CE2 . TYR A 1 121 . -1.511 64.207 67.01 1 10.84 ? CE2 TYR A 121 1 -ATOM 915 C CZ . TYR A 1 121 . -0.169 63.811 66.912 1 16.22 ? CZ TYR A 121 1 -ATOM 916 O OH . TYR A 1 121 . 0.852 64.505 67.542 1 20.04 ? OH TYR A 121 1 -ATOM 917 N N . SER A 1 122 . -3.043 64.388 62.951 1 12.66 ? N SER A 122 1 -ATOM 918 C CA . SER A 1 122 . -3.433 65.783 63.028 1 13.78 ? CA SER A 122 1 -ATOM 919 C C . SER A 1 122 . -2.996 66.469 61.746 1 15.52 ? C SER A 122 1 -ATOM 920 O O . SER A 1 122 . -2.343 65.84 60.917 1 19 ? O SER A 122 1 -ATOM 921 C CB . SER A 1 122 . -2.833 66.39 64.309 1 15.76 ? CB SER A 122 1 -ATOM 922 O OG . SER A 1 122 . -1.385 66.399 64.278 1 15.94 ? OG SER A 122 1 -ATOM 923 N N . GLY A 1 123 . -3.381 67.749 61.621 1 14.94 ? N GLY A 123 1 -ATOM 924 C CA . GLY A 1 123 . -2.982 68.541 60.481 1 12.91 ? CA GLY A 123 1 -ATOM 925 C C . GLY A 1 123 . -4.081 69.464 59.985 1 14.38 ? C GLY A 123 1 -ATOM 926 O O . GLY A 1 123 . -5.277 69.204 60.076 1 17.47 ? O GLY A 123 1 -ATOM 927 N N . SER A 1 124 . -3.667 70.609 59.463 1 12.13 ? N SER A 124 1 -ATOM 928 C CA . SER A 1 124 . -4.608 71.546 58.902 1 15.36 ? CA SER A 124 1 -ATOM 929 C C . SER A 1 124 . -3.839 72.263 57.826 1 19.62 ? C SER A 124 1 -ATOM 930 O O . SER A 1 124 . -2.623 72.36 57.868 1 21.18 ? O SER A 124 1 -ATOM 931 C CB . SER A 1 124 . -5.124 72.554 59.919 1 16.61 ? CB SER A 124 1 -ATOM 932 O OG . SER A 1 124 . -5.954 71.92 60.876 1 22.82 ? OG SER A 124 1 -ATOM 933 N N . SER A 1 125 . -4.571 72.752 56.839 1 20.53 ? N SER A 125 1 -ATOM 934 C CA . SER A 1 125 . -3.953 73.469 55.739 1 19.71 ? CA SER A 125 1 -ATOM 935 C C . SER A 1 125 . -4.045 74.981 55.94 1 19.53 ? C SER A 125 1 -ATOM 936 O O . SER A 1 125 . -3.391 75.776 55.296 1 23.23 ? O SER A 125 1 -ATOM 937 C CB . SER A 1 125 . -4.691 73.059 54.458 1 16 ? CB SER A 125 1 -ATOM 938 O OG . SER A 1 125 . -6.096 73.286 54.626 1 20.88 ? OG SER A 125 1 -ATOM 939 N N . THR A 1 126 . -4.918 75.336 56.865 1 17.15 ? N THR A 126 1 -ATOM 940 C CA . THR A 1 126 . -5.267 76.683 57.258 1 16.37 ? CA THR A 126 1 -ATOM 941 C C . THR A 1 126 . -4.343 77.317 58.289 1 15.76 ? C THR A 126 1 -ATOM 942 O O . THR A 1 126 . -4.533 78.441 58.74 1 19.46 ? O THR A 126 1 -ATOM 943 C CB . THR A 1 126 . -6.684 76.536 57.859 1 18.02 ? CB THR A 126 1 -ATOM 944 O OG1 . THR A 1 126 . -6.568 75.606 58.952 1 21.85 ? OG1 THR A 126 1 -ATOM 945 C CG2 . THR A 1 126 . -7.685 75.878 56.882 1 14.37 ? CG2 THR A 126 1 -ATOM 946 N N . LEU A 1 127 . -3.337 76.562 58.719 1 13.5 ? N LEU A 127 1 -ATOM 947 C CA . LEU A 1 127 . -2.451 77.133 59.722 1 11.7 ? CA LEU A 127 1 -ATOM 948 C C . LEU A 1 127 . -1.705 78.306 59.147 1 12.34 ? C LEU A 127 1 -ATOM 949 O O . LEU A 1 127 . -1.409 78.366 57.975 1 17.17 ? O LEU A 127 1 -ATOM 950 C CB . LEU A 1 127 . -1.422 76.104 60.212 1 9.96 ? CB LEU A 127 1 -ATOM 951 C CG . LEU A 1 127 . -2.002 74.756 60.677 1 7.51 ? CG LEU A 127 1 -ATOM 952 C CD1 . LEU A 1 127 . -0.87 73.911 61.282 1 9.8 ? CD1 LEU A 127 1 -ATOM 953 C CD2 . LEU A 1 127 . -3.143 74.925 61.696 1 6.16 ? CD2 LEU A 127 1 -ATOM 954 N N . ASP A 1 128 . -1.321 79.238 59.977 1 13.92 ? N ASP A 128 1 -ATOM 955 C CA . ASP A 1 128 . -0.609 80.406 59.501 1 16.51 ? CA ASP A 128 1 -ATOM 956 C C . ASP A 1 128 . 0.772 80.081 59.013 1 15.68 ? C ASP A 128 1 -ATOM 957 O O . ASP A 1 128 . 1.313 80.837 58.228 1 18.82 ? O ASP A 128 1 -ATOM 958 C CB . ASP A 1 128 . -0.487 81.527 60.544 1 23.3 ? CB ASP A 128 1 -ATOM 959 C CG . ASP A 1 128 . -1.804 82.083 61.084 1 28.62 ? CG ASP A 128 1 -ATOM 960 O OD1 . ASP A 1 128 . -2.87 81.733 60.572 1 36.47 ? OD1 ASP A 128 1 -ATOM 961 O OD2 . ASP A 1 128 . -1.751 82.873 62.029 1 35.21 ? OD2 ASP A 128 1 -ATOM 962 N N . VAL A 1 129 . 1.374 78.973 59.458 1 16.76 ? N VAL A 129 1 -ATOM 963 C CA . VAL A 1 129 . 2.721 78.716 58.919 1 17.51 ? CA VAL A 129 1 -ATOM 964 C C . VAL A 1 129 . 2.614 78.002 57.572 1 20.95 ? C VAL A 129 1 -ATOM 965 O O . VAL A 1 129 . 3.617 77.561 57.037 1 24.78 ? O VAL A 129 1 -ATOM 966 C CB . VAL A 1 129 . 3.617 77.937 59.912 1 9.97 ? CB VAL A 129 1 -ATOM 967 C CG1 . VAL A 1 129 . 4.157 78.846 61.02 1 15.67 ? CG1 VAL A 129 1 -ATOM 968 C CG2 . VAL A 1 129 . 2.894 76.746 60.546 1 7.52 ? CG2 VAL A 129 1 -ATOM 969 N N . TYR A 1 130 . 1.381 77.844 57.063 1 17.72 ? N TYR A 130 1 -ATOM 970 C CA . TYR A 1 130 . 1.176 77.188 55.783 1 15.58 ? CA TYR A 130 1 -ATOM 971 C C . TYR A 1 130 . 0.429 78.157 54.867 1 22.21 ? C TYR A 130 1 -ATOM 972 O O . TYR A 1 130 . -0.228 77.797 53.894 1 24.39 ? O TYR A 130 1 -ATOM 973 C CB . TYR A 1 130 . 0.299 75.934 55.952 1 11.62 ? CB TYR A 130 1 -ATOM 974 C CG . TYR A 1 130 . 0.825 74.823 56.857 1 9.44 ? CG TYR A 130 1 -ATOM 975 C CD1 . TYR A 1 130 . 2.18 74.673 57.197 1 5.49 ? CD1 TYR A 130 1 -ATOM 976 C CD2 . TYR A 1 130 . -0.092 73.884 57.363 1 8.88 ? CD2 TYR A 130 1 -ATOM 977 C CE1 . TYR A 1 130 . 2.591 73.611 58.022 1 6.11 ? CE1 TYR A 130 1 -ATOM 978 C CE2 . TYR A 1 130 . 0.32 72.812 58.171 1 5.33 ? CE2 TYR A 130 1 -ATOM 979 C CZ . TYR A 1 130 . 1.671 72.666 58.5 1 7.17 ? CZ TYR A 130 1 -ATOM 980 O OH . TYR A 1 130 . 2.143 71.595 59.244 1 4.45 ? OH TYR A 130 1 -ATOM 981 N N . ASN A 1 131 . 0.493 79.452 55.222 1 24.81 ? N ASN A 131 1 -ATOM 982 C CA . ASN A 1 131 . -0.197 80.445 54.4 1 23.92 ? CA ASN A 131 1 -ATOM 983 C C . ASN A 1 131 . 0.734 80.708 53.237 1 23.49 ? C ASN A 131 1 -ATOM 984 O O . ASN A 1 131 . 1.803 81.283 53.393 1 25.76 ? O ASN A 131 1 -ATOM 985 C CB . ASN A 1 131 . -0.482 81.708 55.217 1 24.47 ? CB ASN A 131 1 -ATOM 986 C CG . ASN A 1 131 . -1.187 82.722 54.362 1 22.55 ? CG ASN A 131 1 -ATOM 987 O OD1 . ASN A 1 131 . -0.626 83.207 53.402 1 22.56 ? OD1 ASN A 131 1 -ATOM 988 N ND2 . ASN A 1 131 . -2.427 83.044 54.691 1 27.84 ? ND2 ASN A 131 1 -ATOM 989 N N . GLY A 1 132 . 0.325 80.257 52.049 1 25.22 ? N GLY A 132 1 -ATOM 990 C CA . GLY A 1 132 . 1.201 80.415 50.887 1 24.01 ? CA GLY A 132 1 -ATOM 991 C C . GLY A 1 132 . 1.292 81.78 50.223 1 24.53 ? C GLY A 132 1 -ATOM 992 O O . GLY A 1 132 . 1.938 81.88 49.181 1 22.81 ? O GLY A 132 1 -ATOM 993 N N . LYS A 1 133 . 0.691 82.84 50.796 1 23.16 ? N LYS A 133 1 -ATOM 994 C CA . LYS A 1 133 . 0.787 84.142 50.126 1 20.32 ? CA LYS A 133 1 -ATOM 995 C C . LYS A 1 133 . 2.206 84.627 49.859 1 20.65 ? C LYS A 133 1 -ATOM 996 O O . LYS A 1 133 . 2.522 85.208 48.831 1 21.83 ? O LYS A 133 1 -ATOM 997 C CB . LYS A 1 133 . 0.023 85.259 50.877 1 16.95 ? CB LYS A 133 1 -ATOM 998 C CG . LYS A 1 133 . 0.713 85.863 52.142 1 22.4 ? CG LYS A 133 1 -ATOM 999 C CD . LYS A 1 133 . -0.033 87.022 52.852 1 20.59 ? CD LYS A 133 1 -ATOM 1000 C CE . LYS A 1 133 . -1.463 86.654 53.243 1 30.03 ? CE LYS A 133 1 -ATOM 1001 N NZ . LYS A 1 133 . -2.093 87.733 53.974 1 36.8 ? NZ LYS A 133 1 -ATOM 1002 N N . TYR A 1 134 . 3.082 84.366 50.816 1 21.5 ? N TYR A 134 1 -ATOM 1003 C CA . TYR A 1 134 . 4.442 84.873 50.659 1 22.9 ? CA TYR A 134 1 -ATOM 1004 C C . TYR A 1 134 . 5.211 84.124 49.615 1 22.76 ? C TYR A 134 1 -ATOM 1005 O O . TYR A 1 134 . 5.92 84.695 48.808 1 22.22 ? O TYR A 134 1 -ATOM 1006 C CB . TYR A 1 134 . 5.214 84.878 52.002 1 25.06 ? CB TYR A 134 1 -ATOM 1007 C CG . TYR A 1 134 . 4.405 85.495 53.122 1 25.21 ? CG TYR A 134 1 -ATOM 1008 C CD1 . TYR A 1 134 . 4.387 86.883 53.331 1 26.12 ? CD1 TYR A 134 1 -ATOM 1009 C CD2 . TYR A 1 134 . 3.62 84.668 53.938 1 27.87 ? CD2 TYR A 134 1 -ATOM 1010 C CE1 . TYR A 1 134 . 3.581 87.44 54.333 1 29.44 ? CE1 TYR A 134 1 -ATOM 1011 C CE2 . TYR A 1 134 . 2.807 85.215 54.935 1 30.74 ? CE2 TYR A 134 1 -ATOM 1012 C CZ . TYR A 1 134 . 2.783 86.605 55.135 1 32.62 ? CZ TYR A 134 1 -ATOM 1013 O OH . TYR A 1 134 . 1.969 87.16 56.108 1 36.7 ? OH TYR A 134 1 -ATOM 1014 N N . LEU A 1 135 . 5.041 82.804 49.612 1 25.17 ? N LEU A 135 1 -ATOM 1015 C CA . LEU A 1 135 . 5.786 82.023 48.62 1 22.13 ? CA LEU A 135 1 -ATOM 1016 C C . LEU A 1 135 . 5.305 82.336 47.2 1 23.51 ? C LEU A 135 1 -ATOM 1017 O O . LEU A 1 135 . 6.081 82.613 46.287 1 23.54 ? O LEU A 135 1 -ATOM 1018 C CB . LEU A 1 135 . 5.709 80.52 48.958 1 13.03 ? CB LEU A 135 1 -ATOM 1019 C CG . LEU A 1 135 . 6.761 79.635 48.278 1 9.29 ? CG LEU A 135 1 -ATOM 1020 C CD1 . LEU A 1 135 . 8.181 80.179 48.469 1 6.96 ? CD1 LEU A 135 1 -ATOM 1021 C CD2 . LEU A 1 135 . 6.71 78.203 48.836 1 2 ? CD2 LEU A 135 1 -ATOM 1022 N N . ALA A 1 136 . 3.969 82.313 47.054 1 22.76 ? N ALA A 136 1 -ATOM 1023 C CA . ALA A 1 136 . 3.352 82.583 45.765 1 22.99 ? CA ALA A 136 1 -ATOM 1024 C C . ALA A 1 136 . 3.797 83.909 45.19 1 26.43 ? C ALA A 136 1 -ATOM 1025 O O . ALA A 1 136 . 4.072 84.061 44.008 1 31.51 ? O ALA A 136 1 -ATOM 1026 C CB . ALA A 1 136 . 1.822 82.62 45.886 1 24.06 ? CB ALA A 136 1 -ATOM 1027 N N . TYR A 1 137 . 3.864 84.891 46.075 1 25.08 ? N TYR A 137 1 -ATOM 1028 C CA . TYR A 1 137 . 4.259 86.228 45.667 1 21.07 ? CA TYR A 137 1 -ATOM 1029 C C . TYR A 1 137 . 5.752 86.352 45.39 1 19.78 ? C TYR A 137 1 -ATOM 1030 O O . TYR A 1 137 . 6.186 86.678 44.302 1 22.62 ? O TYR A 137 1 -ATOM 1031 C CB . TYR A 1 137 . 3.776 87.176 46.78 1 21.86 ? CB TYR A 137 1 -ATOM 1032 C CG . TYR A 1 137 . 4.207 88.596 46.587 1 25.22 ? CG TYR A 137 1 -ATOM 1033 C CD1 . TYR A 1 137 . 5.469 89.006 47.056 1 26.11 ? CD1 TYR A 137 1 -ATOM 1034 C CD2 . TYR A 1 137 . 3.39 89.502 45.897 1 27.33 ? CD2 TYR A 137 1 -ATOM 1035 C CE1 . TYR A 1 137 . 5.934 90.303 46.813 1 26.02 ? CE1 TYR A 137 1 -ATOM 1036 C CE2 . TYR A 1 137 . 3.861 90.803 45.65 1 29.82 ? CE2 TYR A 137 1 -ATOM 1037 C CZ . TYR A 1 137 . 5.131 91.205 46.099 1 27.3 ? CZ TYR A 137 1 -ATOM 1038 O OH . TYR A 1 137 . 5.59 92.473 45.816 1 30.83 ? OH TYR A 137 1 -ATOM 1039 N N . THR A 1 138 . 6.561 86.075 46.389 1 20.97 ? N THR A 138 1 -ATOM 1040 C CA . THR A 1 138 . 7.994 86.219 46.226 1 20.55 ? CA THR A 138 1 -ATOM 1041 C C . THR A 1 138 . 8.594 85.388 45.105 1 19.98 ? C THR A 138 1 -ATOM 1042 O O . THR A 1 138 . 9.536 85.824 44.465 1 22.83 ? O THR A 138 1 -ATOM 1043 C CB . THR A 1 138 . 8.658 85.913 47.603 1 23.61 ? CB THR A 138 1 -ATOM 1044 O OG1 . THR A 1 138 . 8.013 86.675 48.628 1 26.1 ? OG1 THR A 138 1 -ATOM 1045 C CG2 . THR A 1 138 . 10.153 86.255 47.751 1 24.64 ? CG2 THR A 138 1 -ATOM 1046 N N . GLU A 1 139 . 8.076 84.177 44.875 1 20.94 ? N GLU A 139 1 -ATOM 1047 C CA . GLU A 1 139 . 8.66 83.342 43.822 1 20.56 ? CA GLU A 139 1 -ATOM 1048 C C . GLU A 1 139 . 7.784 83.199 42.58 1 24.47 ? C GLU A 139 1 -ATOM 1049 O O . GLU A 1 139 . 8.175 82.603 41.583 1 25.05 ? O GLU A 139 1 -ATOM 1050 C CB . GLU A 1 139 . 9.037 81.968 44.39 1 14.12 ? CB GLU A 139 1 -ATOM 1051 C CG . GLU A 1 139 . 10.209 82.052 45.386 1 17.03 ? CG GLU A 139 1 -ATOM 1052 C CD . GLU A 1 139 . 11.524 82.428 44.705 1 24.78 ? CD GLU A 139 1 -ATOM 1053 O OE1 . GLU A 1 139 . 11.72 82.081 43.54 1 26.19 ? OE1 GLU A 139 1 -ATOM 1054 O OE2 . GLU A 1 139 . 12.362 83.065 45.341 1 27.39 ? OE2 GLU A 139 1 -ATOM 1055 N N . GLU A 1 140 . 6.575 83.751 42.655 1 25.5 ? N GLU A 140 1 -ATOM 1056 C CA . GLU A 1 140 . 5.678 83.684 41.516 1 25.77 ? CA GLU A 140 1 -ATOM 1057 C C . GLU A 1 140 . 5.417 82.271 41.083 1 23.21 ? C GLU A 140 1 -ATOM 1058 O O . GLU A 1 140 . 5.79 81.845 40.001 1 24.2 ? O GLU A 140 1 -ATOM 1059 C CB . GLU A 1 140 . 6.182 84.55 40.358 1 31.13 ? CB GLU A 140 1 -ATOM 1060 C CG . GLU A 1 140 . 6.341 86.013 40.826 1 42.92 ? CG GLU A 140 1 -ATOM 1061 C CD . GLU A 1 140 . 7.014 86.896 39.795 1 46.01 ? CD GLU A 140 1 -ATOM 1062 O OE1 . GLU A 1 140 . 8.247 86.987 39.816 1 48.31 ? OE1 GLU A 140 1 -ATOM 1063 O OE2 . GLU A 1 140 . 6.3 87.494 38.988 1 48.93 ? OE2 GLU A 140 1 -ATOM 1064 N N . VAL A 1 141 . 4.758 81.551 41.978 1 19.1 ? N VAL A 141 1 -ATOM 1065 C CA . VAL A 1 141 . 4.408 80.193 41.681 1 16.2 ? CA VAL A 141 1 -ATOM 1066 C C . VAL A 1 141 . 2.971 80.098 42.117 1 17.91 ? C VAL A 141 1 -ATOM 1067 O O . VAL A 1 141 . 2.477 80.967 42.828 1 19.3 ? O VAL A 141 1 -ATOM 1068 C CB . VAL A 1 141 . 5.31 79.223 42.464 1 13.59 ? CB VAL A 141 1 -ATOM 1069 C CG1 . VAL A 1 141 . 6.789 79.545 42.267 1 14.93 ? CG1 VAL A 141 1 -ATOM 1070 C CG2 . VAL A 1 141 . 5.016 79.148 43.974 1 15.84 ? CG2 VAL A 141 1 -ATOM 1071 N N . VAL A 1 142 . 2.297 79.049 41.667 1 19.99 ? N VAL A 142 1 -ATOM 1072 C CA . VAL A 1 142 . 0.929 78.836 42.099 1 21.84 ? CA VAL A 142 1 -ATOM 1073 C C . VAL A 1 142 . 1.158 77.865 43.278 1 25.41 ? C VAL A 142 1 -ATOM 1074 O O . VAL A 1 142 . 1.933 76.905 43.156 1 28.57 ? O VAL A 142 1 -ATOM 1075 C CB . VAL A 1 142 . 0.102 78.239 40.935 1 16.98 ? CB VAL A 142 1 -ATOM 1076 C CG1 . VAL A 1 142 . -1.294 77.78 41.354 1 13.15 ? CG1 VAL A 142 1 -ATOM 1077 C CG2 . VAL A 1 142 . -0.015 79.247 39.779 1 14.31 ? CG2 VAL A 142 1 -ATOM 1078 N N . LEU A 1 143 . 0.506 78.116 44.421 1 20.39 ? N LEU A 143 1 -ATOM 1079 C CA . LEU A 1 143 . 0.739 77.203 45.521 1 16.77 ? CA LEU A 143 1 -ATOM 1080 C C . LEU A 1 143 . -0.568 76.675 45.998 1 14.76 ? C LEU A 143 1 -ATOM 1081 O O . LEU A 1 143 . -1.495 77.47 46.13 1 16.15 ? O LEU A 143 1 -ATOM 1082 C CB . LEU A 1 143 . 1.421 77.98 46.647 1 18.86 ? CB LEU A 143 1 -ATOM 1083 C CG . LEU A 1 143 . 2.033 77.054 47.721 1 21.71 ? CG LEU A 143 1 -ATOM 1084 C CD1 . LEU A 1 143 . 3.315 77.673 48.226 1 23.56 ? CD1 LEU A 143 1 -ATOM 1085 C CD2 . LEU A 1 143 . 1.098 76.749 48.911 1 25.64 ? CD2 LEU A 143 1 -ATOM 1086 N N . VAL A 1 144 . -0.655 75.366 46.252 1 10.75 ? N VAL A 144 1 -ATOM 1087 C CA . VAL A 1 144 . -1.919 74.86 46.755 1 14.28 ? CA VAL A 144 1 -ATOM 1088 C C . VAL A 1 144 . -1.633 74.09 48.043 1 17.51 ? C VAL A 144 1 -ATOM 1089 O O . VAL A 1 144 . -0.498 73.691 48.307 1 17.97 ? O VAL A 144 1 -ATOM 1090 C CB . VAL A 1 144 . -2.686 74.015 45.688 1 13.8 ? CB VAL A 144 1 -ATOM 1091 C CG1 . VAL A 1 144 . -2.732 74.691 44.318 1 12.2 ? CG1 VAL A 144 1 -ATOM 1092 C CG2 . VAL A 1 144 . -2.147 72.612 45.491 1 12.87 ? CG2 VAL A 144 1 -ATOM 1093 N N . SER A 1 145 . -2.688 73.863 48.838 1 18.01 ? N SER A 145 1 -ATOM 1094 C CA . SER A 1 145 . -2.565 73.094 50.077 1 16.75 ? CA SER A 145 1 -ATOM 1095 C C . SER A 1 145 . -3.721 72.102 50.093 1 18.35 ? C SER A 145 1 -ATOM 1096 O O . SER A 1 145 . -4.841 72.534 49.83 1 21.33 ? O SER A 145 1 -ATOM 1097 C CB . SER A 1 145 . -2.752 73.997 51.294 1 14.17 ? CB SER A 145 1 -ATOM 1098 O OG . SER A 1 145 . -1.903 75.113 51.205 1 15.89 ? OG SER A 145 1 -ATOM 1099 N N . LEU A 1 146 . -3.436 70.823 50.382 1 16.79 ? N LEU A 146 1 -ATOM 1100 C CA . LEU A 1 146 . -4.478 69.793 50.431 1 18.68 ? CA LEU A 146 1 -ATOM 1101 C C . LEU A 1 146 . -5.026 69.673 51.849 1 20.48 ? C LEU A 146 1 -ATOM 1102 O O . LEU A 1 146 . -4.548 70.291 52.79 1 21.78 ? O LEU A 146 1 -ATOM 1103 C CB . LEU A 1 146 . -3.892 68.376 50.129 1 16.79 ? CB LEU A 146 1 -ATOM 1104 C CG . LEU A 1 146 . -2.875 68.317 48.994 1 14.27 ? CG LEU A 146 1 -ATOM 1105 C CD1 . LEU A 1 146 . -2.457 66.882 48.684 1 13.59 ? CD1 LEU A 146 1 -ATOM 1106 C CD2 . LEU A 1 146 . -3.47 68.973 47.764 1 19.32 ? CD2 LEU A 146 1 -ATOM 1107 N N . SER A 1 147 . -6.012 68.801 51.976 1 19.32 ? N SER A 147 1 -ATOM 1108 C CA . SER A 1 147 . -6.625 68.454 53.232 1 18.72 ? CA SER A 147 1 -ATOM 1109 C C . SER A 1 147 . -6.769 66.967 53.082 1 19.4 ? C SER A 147 1 -ATOM 1110 O O . SER A 1 147 . -6.957 66.501 51.965 1 22.27 ? O SER A 147 1 -ATOM 1111 C CB . SER A 1 147 . -8.036 69.035 53.378 1 20.89 ? CB SER A 147 1 -ATOM 1112 O OG . SER A 1 147 . -7.956 70.444 53.544 1 37.06 ? OG SER A 147 1 -ATOM 1113 N N . TYR A 1 148 . -6.666 66.195 54.149 1 17.63 ? N TYR A 148 1 -ATOM 1114 C CA . TYR A 1 148 . -6.852 64.775 54.008 1 13.26 ? CA TYR A 148 1 -ATOM 1115 C C . TYR A 1 148 . -7.206 64.252 55.354 1 11.54 ? C TYR A 148 1 -ATOM 1116 O O . TYR A 1 148 . -6.831 64.78 56.38 1 13.23 ? O TYR A 148 1 -ATOM 1117 C CB . TYR A 1 148 . -5.637 64.082 53.421 1 14.4 ? CB TYR A 148 1 -ATOM 1118 C CG . TYR A 1 148 . -4.381 64.141 54.265 1 9.41 ? CG TYR A 148 1 -ATOM 1119 C CD1 . TYR A 1 148 . -3.487 65.221 54.133 1 10.32 ? CD1 TYR A 148 1 -ATOM 1120 C CD2 . TYR A 1 148 . -4.081 63.096 55.175 1 10.52 ? CD2 TYR A 148 1 -ATOM 1121 C CE1 . TYR A 1 148 . -2.315 65.264 54.877 1 12.35 ? CE1 TYR A 148 1 -ATOM 1122 C CE2 . TYR A 1 148 . -2.915 63.128 55.942 1 7.28 ? CE2 TYR A 148 1 -ATOM 1123 C CZ . TYR A 1 148 . -2.053 64.227 55.784 1 8.13 ? CZ TYR A 148 1 -ATOM 1124 O OH . TYR A 1 148 . -0.947 64.277 56.571 1 10.17 ? OH TYR A 148 1 -ATOM 1125 N N . ARG A 1 149 . -7.992 63.207 55.347 1 8.06 ? N ARG A 149 1 -ATOM 1126 C CA . ARG A 1 149 . -8.396 62.667 56.614 1 7.55 ? CA ARG A 149 1 -ATOM 1127 C C . ARG A 1 149 . -7.23 62.04 57.315 1 10.66 ? C ARG A 149 1 -ATOM 1128 O O . ARG A 1 149 . -6.502 61.285 56.693 1 15.64 ? O ARG A 149 1 -ATOM 1129 C CB . ARG A 1 149 . -9.464 61.634 56.327 1 2.81 ? CB ARG A 149 1 -ATOM 1130 C CG . ARG A 1 149 . -10.742 62.352 55.885 1 4.63 ? CG ARG A 149 1 -ATOM 1131 C CD . ARG A 1 149 . -11.813 61.344 55.529 1 7.73 ? CD ARG A 149 1 -ATOM 1132 N NE . ARG A 1 149 . -11.515 60.858 54.207 1 6.6 ? NE ARG A 149 1 -ATOM 1133 C CZ . ARG A 1 149 . -12.149 59.825 53.671 1 8.52 ? CZ ARG A 149 1 -ATOM 1134 N NH1 . ARG A 1 149 . -12.956 59.041 54.382 1 5.14 ? NH1 ARG A 149 1 -ATOM 1135 N NH2 . ARG A 1 149 . -11.952 59.587 52.384 1 12.44 ? NH2 ARG A 149 1 -ATOM 1136 N N . VAL A 1 150 . -7.116 62.352 58.605 1 10.93 ? N VAL A 150 1 -ATOM 1137 C CA . VAL A 1 150 . -6.094 61.871 59.496 1 9.4 ? CA VAL A 150 1 -ATOM 1138 C C . VAL A 1 150 . -6.789 60.995 60.528 1 11.21 ? C VAL A 150 1 -ATOM 1139 O O . VAL A 1 150 . -8.006 60.908 60.612 1 10.42 ? O VAL A 150 1 -ATOM 1140 C CB . VAL A 1 150 . -5.471 63.106 60.162 1 5.14 ? CB VAL A 150 1 -ATOM 1141 C CG1 . VAL A 1 150 . -4.638 63.903 59.153 1 8.3 ? CG1 VAL A 150 1 -ATOM 1142 C CG2 . VAL A 1 150 . -6.524 64.009 60.828 1 2 ? CG2 VAL A 150 1 -ATOM 1143 N N . GLY A 1 151 . -6.004 60.306 61.333 1 8.74 ? N GLY A 151 1 -ATOM 1144 C CA . GLY A 1 151 . -6.612 59.499 62.367 1 13.27 ? CA GLY A 151 1 -ATOM 1145 C C . GLY A 1 151 . -7.414 58.318 61.874 1 13.43 ? C GLY A 151 1 -ATOM 1146 O O . GLY A 1 151 . -7.234 57.777 60.799 1 18.94 ? O GLY A 151 1 -ATOM 1147 N N . ALA A 1 152 . -8.338 57.913 62.734 1 15.81 ? N ALA A 152 1 -ATOM 1148 C CA . ALA A 1 152 . -9.201 56.786 62.448 1 15.08 ? CA ALA A 152 1 -ATOM 1149 C C . ALA A 1 152 . -9.902 56.996 61.142 1 16.48 ? C ALA A 152 1 -ATOM 1150 O O . ALA A 1 152 . -9.926 56.157 60.255 1 19.77 ? O ALA A 152 1 -ATOM 1151 C CB . ALA A 1 152 . -10.277 56.644 63.557 1 16.38 ? CB ALA A 152 1 -ATOM 1152 N N . PHE A 1 153 . -10.456 58.201 61.068 1 16.47 ? N PHE A 153 1 -ATOM 1153 C CA . PHE A 1 153 . -11.234 58.661 59.929 1 17.52 ? CA PHE A 153 1 -ATOM 1154 C C . PHE A 1 153 . -10.564 58.546 58.59 1 19.1 ? C PHE A 153 1 -ATOM 1155 O O . PHE A 1 153 . -11.256 58.502 57.578 1 22.12 ? O PHE A 153 1 -ATOM 1156 C CB . PHE A 1 153 . -11.598 60.141 60.079 1 17.58 ? CB PHE A 153 1 -ATOM 1157 C CG . PHE A 1 153 . -12.25 60.434 61.396 1 18.29 ? CG PHE A 153 1 -ATOM 1158 C CD1 . PHE A 1 153 . -13.592 60.077 61.604 1 17.81 ? CD1 PHE A 153 1 -ATOM 1159 C CD2 . PHE A 1 153 . -11.517 61.048 62.428 1 19.79 ? CD2 PHE A 153 1 -ATOM 1160 C CE1 . PHE A 1 153 . -14.192 60.328 62.843 1 19.64 ? CE1 PHE A 153 1 -ATOM 1161 C CE2 . PHE A 1 153 . -12.119 61.298 63.664 1 14.71 ? CE2 PHE A 153 1 -ATOM 1162 C CZ . PHE A 1 153 . -13.454 60.935 63.873 1 16.31 ? CZ PHE A 153 1 -ATOM 1163 N N . GLY A 1 154 . -9.223 58.559 58.589 1 17.08 ? N GLY A 154 1 -ATOM 1164 C CA . GLY A 1 154 . -8.51 58.461 57.335 1 13.2 ? CA GLY A 154 1 -ATOM 1165 C C . GLY A 1 154 . -7.645 57.226 57.227 1 16.76 ? C GLY A 154 1 -ATOM 1166 O O . GLY A 1 154 . -7.2 56.899 56.126 1 21.42 ? O GLY A 154 1 -ATOM 1167 N N . PHE A 1 155 . -7.41 56.495 58.332 1 10.13 ? N PHE A 155 1 -ATOM 1168 C CA . PHE A 1 155 . -6.518 55.357 58.19 1 4.35 ? CA PHE A 155 1 -ATOM 1169 C C . PHE A 1 155 . -6.946 54.07 58.856 1 6.32 ? C PHE A 155 1 -ATOM 1170 O O . PHE A 1 155 . -6.132 53.154 59.01 1 5.8 ? O PHE A 155 1 -ATOM 1171 C CB . PHE A 1 155 . -5.11 55.781 58.6 1 2.53 ? CB PHE A 155 1 -ATOM 1172 C CG . PHE A 1 155 . -4.545 56.853 57.682 1 7.11 ? CG PHE A 155 1 -ATOM 1173 C CD1 . PHE A 1 155 . -4.762 58.218 57.957 1 7.24 ? CD1 PHE A 155 1 -ATOM 1174 C CD2 . PHE A 1 155 . -3.771 56.499 56.553 1 8.43 ? CD2 PHE A 155 1 -ATOM 1175 C CE1 . PHE A 1 155 . -4.2 59.206 57.133 1 6.69 ? CE1 PHE A 155 1 -ATOM 1176 C CE2 . PHE A 1 155 . -3.213 57.491 55.732 1 5.43 ? CE2 PHE A 155 1 -ATOM 1177 C CZ . PHE A 1 155 . -3.423 58.846 56.027 1 3.73 ? CZ PHE A 155 1 -ATOM 1178 N N . LEU A 1 156 . -8.224 53.988 59.25 1 5.3 ? N LEU A 156 1 -ATOM 1179 C CA . LEU A 1 156 . -8.702 52.738 59.857 1 8.53 ? CA LEU A 156 1 -ATOM 1180 C C . LEU A 1 156 . -8.566 51.683 58.777 1 8.36 ? C LEU A 156 1 -ATOM 1181 O O . LEU A 1 156 . -8.85 51.994 57.634 1 10.64 ? O LEU A 156 1 -ATOM 1182 C CB . LEU A 1 156 . -10.174 52.893 60.269 1 11.58 ? CB LEU A 156 1 -ATOM 1183 C CG . LEU A 1 156 . -10.789 51.648 60.921 1 9.96 ? CG LEU A 156 1 -ATOM 1184 C CD1 . LEU A 1 156 . -10.048 51.273 62.201 1 13.48 ? CD1 LEU A 156 1 -ATOM 1185 C CD2 . LEU A 1 156 . -12.269 51.889 61.218 1 11.63 ? CD2 LEU A 156 1 -ATOM 1186 N N . ALA A 1 157 . -8.18 50.451 59.089 1 8.96 ? N ALA A 157 1 -ATOM 1187 C CA . ALA A 1 157 . -8.007 49.543 57.969 1 8.75 ? CA ALA A 157 1 -ATOM 1188 C C . ALA A 1 157 . -8.408 48.094 58.168 1 12.3 ? C ALA A 157 1 -ATOM 1189 O O . ALA A 1 157 . -7.582 47.229 58.464 1 8.91 ? O ALA A 157 1 -ATOM 1190 C CB . ALA A 1 157 . -6.513 49.552 57.612 1 8.11 ? CB ALA A 157 1 -ATOM 1191 N N . LEU A 1 158 . -9.694 47.818 57.925 1 15.41 ? N LEU A 158 1 -ATOM 1192 C CA . LEU A 1 158 . -10.188 46.44 58.014 1 18.08 ? CA LEU A 158 1 -ATOM 1193 C C . LEU A 1 158 . -10 45.902 56.602 1 18.96 ? C LEU A 158 1 -ATOM 1194 O O . LEU A 1 158 . -10.913 45.777 55.804 1 19.4 ? O LEU A 158 1 -ATOM 1195 C CB . LEU A 1 158 . -11.651 46.445 58.445 1 16.34 ? CB LEU A 158 1 -ATOM 1196 C CG . LEU A 1 158 . -11.791 46.932 59.889 1 16.07 ? CG LEU A 158 1 -ATOM 1197 C CD1 . LEU A 1 158 . -13.179 47.487 60.148 1 16.62 ? CD1 LEU A 158 1 -ATOM 1198 C CD2 . LEU A 1 158 . -11.417 45.835 60.895 1 16.5 ? CD2 LEU A 158 1 -ATOM 1199 N N . HIS A 1 159 . -8.738 45.603 56.329 1 22.98 ? N HIS A 159 1 -ATOM 1200 C CA . HIS A 1 159 . -8.257 45.148 55.04 1 30.84 ? CA HIS A 159 1 -ATOM 1201 C C . HIS A 1 159 . -9.211 44.578 54.011 1 34.01 ? C HIS A 159 1 -ATOM 1202 O O . HIS A 1 159 . -9.41 45.223 52.986 1 40.62 ? O HIS A 159 1 -ATOM 1203 C CB . HIS A 1 159 . -6.949 44.348 55.106 1 38.7 ? CB HIS A 159 1 -ATOM 1204 C CG . HIS A 1 159 . -6.384 44.161 53.698 1 45.22 ? CG HIS A 159 1 -ATOM 1205 N ND1 . HIS A 1 159 . -6.542 45.038 52.67 1 47.49 ? ND1 HIS A 159 1 -ATOM 1206 C CD2 . HIS A 1 159 . -5.646 43.062 53.201 1 48.81 ? CD2 HIS A 159 1 -ATOM 1207 C CE1 . HIS A 1 159 . -5.92 44.506 51.599 1 48.99 ? CE1 HIS A 159 1 -ATOM 1208 N NE2 . HIS A 1 159 . -5.375 43.317 51.906 1 48.28 ? NE2 HIS A 159 1 -ATOM 1209 N N . GLY A 1 160 . -9.753 43.384 54.212 1 32.34 ? N GLY A 160 1 -ATOM 1210 C CA . GLY A 1 160 . -10.62 42.905 53.139 1 30.82 ? CA GLY A 160 1 -ATOM 1211 C C . GLY A 1 160 . -11.985 43.554 53.111 1 33.28 ? C GLY A 160 1 -ATOM 1212 O O . GLY A 1 160 . -12.973 42.851 52.919 1 37.69 ? O GLY A 160 1 -ATOM 1213 N N . SER A 1 161 . -12.084 44.86 53.31 1 32.25 ? N SER A 161 1 -ATOM 1214 C CA . SER A 1 161 . -13.387 45.468 53.317 1 33.51 ? CA SER A 161 1 -ATOM 1215 C C . SER A 1 161 . -13.352 46.684 52.425 1 34.9 ? C SER A 161 1 -ATOM 1216 O O . SER A 1 161 . -12.417 47.471 52.363 1 39.21 ? O SER A 161 1 -ATOM 1217 C CB . SER A 1 161 . -13.697 45.914 54.752 1 31.18 ? CB SER A 161 1 -ATOM 1218 O OG . SER A 1 161 . -15.002 46.512 54.807 1 36.26 ? OG SER A 161 1 -ATOM 1219 N N . GLN A 1 162 . -14.531 46.811 51.795 1 35.8 ? N GLN A 162 1 -ATOM 1220 C CA . GLN A 1 162 . -14.72 47.953 50.9 1 36.93 ? CA GLN A 162 1 -ATOM 1221 C C . GLN A 1 162 . -15.178 49.161 51.716 1 34.72 ? C GLN A 162 1 -ATOM 1222 O O . GLN A 1 162 . -15.019 50.319 51.367 1 36.56 ? O GLN A 162 1 -ATOM 1223 C CB . GLN A 1 162 . -15.836 47.628 49.86 1 39.31 ? CB GLN A 162 1 -ATOM 1224 C CG . GLN A 1 162 . -15.532 46.469 48.834 1 41.84 ? CG GLN A 162 1 -ATOM 1225 N N . GLU A 1 163 . -15.808 48.818 52.853 1 31.51 ? N GLU A 163 1 -ATOM 1226 C CA . GLU A 1 163 . -16.312 49.886 53.716 1 26.96 ? CA GLU A 163 1 -ATOM 1227 C C . GLU A 1 163 . -15.213 50.641 54.439 1 23.35 ? C GLU A 163 1 -ATOM 1228 O O . GLU A 1 163 . -15.34 51.82 54.704 1 26.46 ? O GLU A 163 1 -ATOM 1229 C CB . GLU A 1 163 . -17.382 49.341 54.675 1 29.38 ? CB GLU A 163 1 -ATOM 1230 C CG . GLU A 1 163 . -18.573 48.666 53.964 1 23.59 ? CG GLU A 163 1 -ATOM 1231 C CD . GLU A 1 163 . -19.228 49.607 52.977 1 23.58 ? CD GLU A 163 1 -ATOM 1232 N N . ALA A 1 164 . -14.15 49.927 54.793 1 16.59 ? N ALA A 164 1 -ATOM 1233 C CA . ALA A 1 164 . -13.012 50.549 55.458 1 15.06 ? CA ALA A 164 1 -ATOM 1234 C C . ALA A 1 164 . -11.768 49.786 54.98 1 16.71 ? C ALA A 164 1 -ATOM 1235 O O . ALA A 1 164 . -11.191 48.965 55.698 1 20.04 ? O ALA A 164 1 -ATOM 1236 C CB . ALA A 1 164 . -13.102 50.473 56.993 1 9.11 ? CB ALA A 164 1 -ATOM 1237 N N . PRO A 1 165 . -11.363 50.053 53.733 1 14.97 ? N PRO A 165 1 -ATOM 1238 C CA . PRO A 1 165 . -10.059 49.592 53.279 1 13.44 ? CA PRO A 165 1 -ATOM 1239 C C . PRO A 1 165 . -9.125 50.605 53.898 1 16.94 ? C PRO A 165 1 -ATOM 1240 O O . PRO A 1 165 . -9.521 51.684 54.341 1 23.84 ? O PRO A 165 1 -ATOM 1241 C CB . PRO A 1 165 . -10.132 49.788 51.767 1 14.41 ? CB PRO A 165 1 -ATOM 1242 C CG . PRO A 1 165 . -11.148 50.929 51.544 1 13.25 ? CG PRO A 165 1 -ATOM 1243 C CD . PRO A 1 165 . -12.055 50.921 52.779 1 11.35 ? CD PRO A 165 1 -ATOM 1244 N N . GLY A 1 166 . -7.847 50.29 53.93 1 14.46 ? N GLY A 166 1 -ATOM 1245 C CA . GLY A 1 166 . -7.054 51.348 54.567 1 15.06 ? CA GLY A 166 1 -ATOM 1246 C C . GLY A 1 166 . -6.75 52.485 53.617 1 10.6 ? C GLY A 166 1 -ATOM 1247 O O . GLY A 1 166 . -7.401 52.732 52.616 1 14.05 ? O GLY A 166 1 -ATOM 1248 N N . ASN A 1 167 . -5.69 53.192 53.974 1 6.94 ? N ASN A 167 1 -ATOM 1249 C CA . ASN A 1 167 . -5.128 54.278 53.193 1 3.98 ? CA ASN A 167 1 -ATOM 1250 C C . ASN A 1 167 . -6.064 55.306 52.602 1 5.66 ? C ASN A 167 1 -ATOM 1251 O O . ASN A 1 167 . -5.674 56.072 51.728 1 7.4 ? O ASN A 167 1 -ATOM 1252 C CB . ASN A 1 167 . -4.268 53.663 52.087 1 2 ? CB ASN A 167 1 -ATOM 1253 C CG . ASN A 1 167 . -3.276 52.695 52.707 1 8.15 ? CG ASN A 167 1 -ATOM 1254 O OD1 . ASN A 1 167 . -2.762 52.947 53.782 1 16.28 ? OD1 ASN A 167 1 -ATOM 1255 N ND2 . ASN A 1 167 . -3.023 51.567 52.071 1 7.46 ? ND2 ASN A 167 1 -ATOM 1256 N N . VAL A 1 168 . -7.279 55.39 53.11 1 6.08 ? N VAL A 168 1 -ATOM 1257 C CA . VAL A 1 168 . -8.209 56.344 52.551 1 8.29 ? CA VAL A 168 1 -ATOM 1258 C C . VAL A 1 168 . -7.717 57.784 52.574 1 10.31 ? C VAL A 168 1 -ATOM 1259 O O . VAL A 1 168 . -7.963 58.584 51.681 1 17.23 ? O VAL A 168 1 -ATOM 1260 C CB . VAL A 1 168 . -9.541 56.083 53.259 1 9.91 ? CB VAL A 168 1 -ATOM 1261 C CG1 . VAL A 1 168 . -10.541 57.207 53.16 1 7.1 ? CG1 VAL A 168 1 -ATOM 1262 C CG2 . VAL A 1 168 . -10.166 54.775 52.74 1 11.93 ? CG2 VAL A 168 1 -ATOM 1263 N N . GLY A 1 169 . -6.979 58.137 53.601 1 14.57 ? N GLY A 169 1 -ATOM 1264 C CA . GLY A 1 169 . -6.485 59.514 53.652 1 13.64 ? CA GLY A 169 1 -ATOM 1265 C C . GLY A 1 169 . -5.486 59.788 52.558 1 11.8 ? C GLY A 169 1 -ATOM 1266 O O . GLY A 1 169 . -5.331 60.897 52.058 1 12.92 ? O GLY A 169 1 -ATOM 1267 N N . LEU A 1 170 . -4.818 58.707 52.181 1 8 ? N LEU A 170 1 -ATOM 1268 C CA . LEU A 1 170 . -3.813 58.722 51.151 1 8.15 ? CA LEU A 170 1 -ATOM 1269 C C . LEU A 1 170 . -4.537 58.945 49.82 1 10.89 ? C LEU A 170 1 -ATOM 1270 O O . LEU A 1 170 . -4.164 59.742 48.956 1 10.83 ? O LEU A 170 1 -ATOM 1271 C CB . LEU A 1 170 . -3.015 57.415 51.312 1 5.68 ? CB LEU A 170 1 -ATOM 1272 C CG . LEU A 1 170 . -1.491 57.557 51.374 1 3.76 ? CG LEU A 170 1 -ATOM 1273 C CD1 . LEU A 1 170 . -0.946 58.687 52.256 1 4.84 ? CD1 LEU A 170 1 -ATOM 1274 C CD2 . LEU A 1 170 . -0.888 56.218 51.803 1 3.4 ? CD2 LEU A 170 1 -ATOM 1275 N N . LEU A 1 171 . -5.679 58.255 49.7 1 12.59 ? N LEU A 171 1 -ATOM 1276 C CA . LEU A 1 171 . -6.45 58.469 48.466 1 13.94 ? CA LEU A 171 1 -ATOM 1277 C C . LEU A 1 171 . -6.95 59.916 48.384 1 16.31 ? C LEU A 171 1 -ATOM 1278 O O . LEU A 1 171 . -6.981 60.529 47.327 1 22.51 ? O LEU A 171 1 -ATOM 1279 C CB . LEU A 1 171 . -7.633 57.509 48.325 1 6.31 ? CB LEU A 171 1 -ATOM 1280 C CG . LEU A 1 171 . -7.182 56.046 48.32 1 4.35 ? CG LEU A 171 1 -ATOM 1281 C CD1 . LEU A 1 171 . -8.382 55.107 48.295 1 10.78 ? CD1 LEU A 171 1 -ATOM 1282 C CD2 . LEU A 1 171 . -6.277 55.739 47.141 1 7.49 ? CD2 LEU A 171 1 -ATOM 1283 N N . ASP A 1 172 . -7.333 60.493 49.524 1 15.07 ? N ASP A 172 1 -ATOM 1284 C CA . ASP A 1 172 . -7.785 61.875 49.442 1 14.35 ? CA ASP A 172 1 -ATOM 1285 C C . ASP A 1 172 . -6.727 62.773 48.866 1 15.63 ? C ASP A 172 1 -ATOM 1286 O O . ASP A 1 172 . -7.038 63.722 48.161 1 18.63 ? O ASP A 172 1 -ATOM 1287 C CB . ASP A 1 172 . -8.118 62.497 50.799 1 18.99 ? CB ASP A 172 1 -ATOM 1288 C CG . ASP A 1 172 . -9.113 61.733 51.635 1 24.06 ? CG ASP A 172 1 -ATOM 1289 O OD1 . ASP A 1 172 . -9.846 60.915 51.094 1 26.06 ? OD1 ASP A 172 1 -ATOM 1290 O OD2 . ASP A 1 172 . -9.144 61.963 52.839 1 30.47 ? OD2 ASP A 172 1 -ATOM 1291 N N . GLN A 1 173 . -5.463 62.456 49.191 1 15.38 ? N GLN A 173 1 -ATOM 1292 C CA . GLN A 1 173 . -4.376 63.289 48.687 1 13.29 ? CA GLN A 173 1 -ATOM 1293 C C . GLN A 1 173 . -4.322 63.187 47.198 1 13.91 ? C GLN A 173 1 -ATOM 1294 O O . GLN A 1 173 . -4.22 64.154 46.457 1 14.44 ? O GLN A 173 1 -ATOM 1295 C CB . GLN A 1 173 . -3.008 62.871 49.249 1 10.88 ? CB GLN A 173 1 -ATOM 1296 C CG . GLN A 1 173 . -2.957 62.897 50.779 1 12.69 ? CG GLN A 173 1 -ATOM 1297 C CD . GLN A 1 173 . -1.554 62.665 51.307 1 12.03 ? CD GLN A 173 1 -ATOM 1298 O OE1 . GLN A 1 173 . -0.559 62.832 50.633 1 8.8 ? OE1 GLN A 173 1 -ATOM 1299 N NE2 . GLN A 1 173 . -1.48 62.303 52.567 1 17.3 ? NE2 GLN A 173 1 -ATOM 1300 N N . ARG A 1 174 . -4.424 61.93 46.775 1 14.81 ? N ARG A 174 1 -ATOM 1301 C CA . ARG A 1 174 . -4.386 61.661 45.346 1 13.15 ? CA ARG A 174 1 -ATOM 1302 C C . ARG A 1 174 . -5.47 62.412 44.626 1 11.65 ? C ARG A 174 1 -ATOM 1303 O O . ARG A 1 174 . -5.216 63.072 43.635 1 14.76 ? O ARG A 174 1 -ATOM 1304 C CB . ARG A 1 174 . -4.52 60.167 45.099 1 10.52 ? CB ARG A 174 1 -ATOM 1305 C CG . ARG A 1 174 . -4.373 59.751 43.646 1 7.57 ? CG ARG A 174 1 -ATOM 1306 C CD . ARG A 1 174 . -4.632 58.244 43.505 1 15.22 ? CD ARG A 174 1 -ATOM 1307 N NE . ARG A 1 174 . -3.503 57.506 44.014 1 12.35 ? NE ARG A 174 1 -ATOM 1308 C CZ . ARG A 1 174 . -3.431 56.166 44.057 1 16.56 ? CZ ARG A 174 1 -ATOM 1309 N NH1 . ARG A 1 174 . -4.5 55.388 43.885 1 13.82 ? NH1 ARG A 174 1 -ATOM 1310 N NH2 . ARG A 1 174 . -2.258 55.603 44.296 1 15.94 ? NH2 ARG A 174 1 -ATOM 1311 N N . MET A 1 175 . -6.692 62.313 45.14 1 9.23 ? N MET A 175 1 -ATOM 1312 C CA . MET A 1 175 . -7.79 63.018 44.507 1 9.52 ? CA MET A 175 1 -ATOM 1313 C C . MET A 1 175 . -7.516 64.506 44.372 1 11.08 ? C MET A 175 1 -ATOM 1314 O O . MET A 1 175 . -7.845 65.149 43.384 1 14.83 ? O MET A 175 1 -ATOM 1315 C CB . MET A 1 175 . -9.079 62.809 45.275 1 12.36 ? CB MET A 175 1 -ATOM 1316 C CG . MET A 1 175 . -10.28 63.432 44.559 1 17.99 ? CG MET A 175 1 -ATOM 1317 S SD . MET A 1 175 . -11.671 62.302 44.755 1 26.77 ? SD MET A 175 1 -ATOM 1318 C CE . MET A 1 175 . -11.147 61.18 43.418 1 23.6 ? CE MET A 175 1 -ATOM 1319 N N . ALA A 1 176 . -6.883 65.076 45.383 1 13.8 ? N ALA A 176 1 -ATOM 1320 C CA . ALA A 1 176 . -6.607 66.488 45.224 1 12.57 ? CA ALA A 176 1 -ATOM 1321 C C . ALA A 1 176 . -5.559 66.667 44.156 1 11.01 ? C ALA A 176 1 -ATOM 1322 O O . ALA A 1 176 . -5.618 67.616 43.404 1 14.19 ? O ALA A 176 1 -ATOM 1323 C CB . ALA A 1 176 . -6.152 67.113 46.519 1 15.81 ? CB ALA A 176 1 -ATOM 1324 N N . LEU A 1 177 . -4.603 65.74 44.08 1 12.4 ? N LEU A 177 1 -ATOM 1325 C CA . LEU A 1 177 . -3.565 65.816 43.039 1 15.13 ? CA LEU A 177 1 -ATOM 1326 C C . LEU A 1 177 . -4.202 65.733 41.646 1 17.24 ? C LEU A 177 1 -ATOM 1327 O O . LEU A 1 177 . -3.788 66.347 40.668 1 19.47 ? O LEU A 177 1 -ATOM 1328 C CB . LEU A 1 177 . -2.537 64.662 43.18 1 13.77 ? CB LEU A 177 1 -ATOM 1329 C CG . LEU A 1 177 . -1.163 64.996 43.81 1 9.51 ? CG LEU A 177 1 -ATOM 1330 C CD1 . LEU A 1 177 . -1.056 66.379 44.458 1 2.74 ? CD1 LEU A 177 1 -ATOM 1331 C CD2 . LEU A 1 177 . -0.756 63.887 44.783 1 8.15 ? CD2 LEU A 177 1 -ATOM 1332 N N . GLN A 1 178 . -5.261 64.929 41.573 1 17.82 ? N GLN A 178 1 -ATOM 1333 C CA . GLN A 1 178 . -5.959 64.804 40.312 1 14.51 ? CA GLN A 178 1 -ATOM 1334 C C . GLN A 1 178 . -6.584 66.124 39.954 1 13.43 ? C GLN A 178 1 -ATOM 1335 O O . GLN A 1 178 . -6.358 66.654 38.885 1 21.47 ? O GLN A 178 1 -ATOM 1336 C CB . GLN A 1 178 . -7.046 63.733 40.379 1 10.61 ? CB GLN A 178 1 -ATOM 1337 C CG . GLN A 1 178 . -7.709 63.438 39.027 1 18.8 ? CG GLN A 178 1 -ATOM 1338 C CD . GLN A 1 178 . -6.842 62.486 38.228 1 21.16 ? CD GLN A 178 1 -ATOM 1339 O OE1 . GLN A 1 178 . -6.622 61.349 38.61 1 25.52 ? OE1 GLN A 178 1 -ATOM 1340 N NE2 . GLN A 1 178 . -6.331 62.966 37.106 1 22.73 ? NE2 GLN A 178 1 -ATOM 1341 N N . TRP A 1 179 . -7.383 66.675 40.85 1 10.74 ? N TRP A 179 1 -ATOM 1342 C CA . TRP A 1 179 . -8.034 67.945 40.549 1 10.13 ? CA TRP A 179 1 -ATOM 1343 C C . TRP A 1 179 . -7.021 68.996 40.155 1 12 ? C TRP A 179 1 -ATOM 1344 O O . TRP A 1 179 . -7.252 69.795 39.264 1 19.76 ? O TRP A 179 1 -ATOM 1345 C CB . TRP A 1 179 . -8.838 68.399 41.776 1 10.49 ? CB TRP A 179 1 -ATOM 1346 C CG . TRP A 1 179 . -9.853 69.491 41.51 1 6.08 ? CG TRP A 179 1 -ATOM 1347 C CD1 . TRP A 1 179 . -11.25 69.295 41.381 1 9.25 ? CD1 TRP A 179 1 -ATOM 1348 C CD2 . TRP A 1 179 . -9.633 70.88 41.419 1 4.45 ? CD2 TRP A 179 1 -ATOM 1349 N NE1 . TRP A 1 179 . -11.899 70.487 41.223 1 8.77 ? NE1 TRP A 179 1 -ATOM 1350 C CE2 . TRP A 1 179 . -10.977 71.493 41.236 1 2.68 ? CE2 TRP A 179 1 -ATOM 1351 C CE3 . TRP A 1 179 . -8.5 71.697 41.465 1 2 ? CE3 TRP A 179 1 -ATOM 1352 C CZ2 . TRP A 1 179 . -11.1 72.872 41.112 1 2.18 ? CZ2 TRP A 179 1 -ATOM 1353 C CZ3 . TRP A 1 179 . -8.663 73.088 41.336 1 2.57 ? CZ3 TRP A 179 1 -ATOM 1354 C CH2 . TRP A 1 179 . -9.937 73.663 41.165 1 2 ? CH2 TRP A 179 1 -ATOM 1355 N N . VAL A 1 180 . -5.873 69.006 40.81 1 11.87 ? N VAL A 180 1 -ATOM 1356 C CA . VAL A 1 180 . -4.876 70.004 40.443 1 11.64 ? CA VAL A 180 1 -ATOM 1357 C C . VAL A 1 180 . -4.423 69.78 39.005 1 14.32 ? C VAL A 180 1 -ATOM 1358 O O . VAL A 1 180 . -4.296 70.711 38.218 1 14.72 ? O VAL A 180 1 -ATOM 1359 C CB . VAL A 1 180 . -3.729 69.94 41.459 1 5.95 ? CB VAL A 180 1 -ATOM 1360 C CG1 . VAL A 1 180 . -2.492 70.774 41.089 1 7.08 ? CG1 VAL A 180 1 -ATOM 1361 C CG2 . VAL A 1 180 . -4.286 70.381 42.817 1 9.69 ? CG2 VAL A 180 1 -ATOM 1362 N N . HIS A 1 181 . -4.209 68.51 38.675 1 15.12 ? N HIS A 181 1 -ATOM 1363 C CA . HIS A 1 181 . -3.773 68.124 37.336 1 17.44 ? CA HIS A 181 1 -ATOM 1364 C C . HIS A 1 181 . -4.755 68.548 36.26 1 17.59 ? C HIS A 181 1 -ATOM 1365 O O . HIS A 1 181 . -4.426 69.055 35.2 1 21.94 ? O HIS A 181 1 -ATOM 1366 C CB . HIS A 1 181 . -3.624 66.595 37.336 1 19.59 ? CB HIS A 181 1 -ATOM 1367 C CG . HIS A 1 181 . -3.014 66.035 36.074 1 25.78 ? CG HIS A 181 1 -ATOM 1368 N ND1 . HIS A 1 181 . -3.709 65.319 35.169 1 24.3 ? ND1 HIS A 181 1 -ATOM 1369 C CD2 . HIS A 1 181 . -1.65 66.07 35.68 1 30.09 ? CD2 HIS A 181 1 -ATOM 1370 C CE1 . HIS A 1 181 . -2.819 64.901 34.257 1 31.34 ? CE1 HIS A 181 1 -ATOM 1371 N NE2 . HIS A 1 181 . -1.573 65.342 34.544 1 35.14 ? NE2 HIS A 181 1 -ATOM 1372 N N . ASP A 1 182 . -6.016 68.345 36.586 1 16.68 ? N ASP A 182 1 -ATOM 1373 C CA . ASP A 1 182 . -7.076 68.676 35.656 1 17.41 ? CA ASP A 182 1 -ATOM 1374 C C . ASP A 1 182 . -7.573 70.11 35.729 1 19.32 ? C ASP A 182 1 -ATOM 1375 O O . ASP A 1 182 . -8.522 70.425 35.029 1 25.05 ? O ASP A 182 1 -ATOM 1376 C CB . ASP A 1 182 . -8.311 67.791 35.923 1 16.95 ? CB ASP A 182 1 -ATOM 1377 C CG . ASP A 1 182 . -8.047 66.296 35.756 1 24 ? CG ASP A 182 1 -ATOM 1378 O OD1 . ASP A 1 182 . -7.01 65.927 35.196 1 26.34 ? OD1 ASP A 182 1 -ATOM 1379 O OD2 . ASP A 1 182 . -8.894 65.503 36.173 1 23.74 ? OD2 ASP A 182 1 -ATOM 1380 N N . ASN A 1 183 . -7.035 70.994 36.574 1 14.46 ? N ASN A 183 1 -ATOM 1381 C CA . ASN A 1 183 . -7.651 72.321 36.518 1 9.77 ? CA ASN A 183 1 -ATOM 1382 C C . ASN A 1 183 . -6.696 73.42 36.867 1 14.26 ? C ASN A 183 1 -ATOM 1383 O O . ASN A 1 183 . -7.05 74.589 36.787 1 14.61 ? O ASN A 183 1 -ATOM 1384 C CB . ASN A 1 183 . -8.816 72.502 37.49 1 7.86 ? CB ASN A 183 1 -ATOM 1385 C CG . ASN A 1 183 . -9.939 71.512 37.343 1 13.76 ? CG ASN A 183 1 -ATOM 1386 O OD1 . ASN A 1 183 . -11.011 71.777 36.814 1 20.88 ? OD1 ASN A 183 1 -ATOM 1387 N ND2 . ASN A 1 183 . -9.696 70.337 37.881 1 19.16 ? ND2 ASN A 183 1 -ATOM 1388 N N . ILE A 1 184 . -5.451 73.094 37.22 1 15.04 ? N ILE A 184 1 -ATOM 1389 C CA . ILE A 1 184 . -4.58 74.188 37.591 1 15.27 ? CA ILE A 184 1 -ATOM 1390 C C . ILE A 1 184 . -4.324 75.187 36.459 1 20.74 ? C ILE A 184 1 -ATOM 1391 O O . ILE A 1 184 . -4.015 76.361 36.67 1 24.3 ? O ILE A 184 1 -ATOM 1392 C CB . ILE A 1 184 . -3.371 73.644 38.359 1 12.84 ? CB ILE A 184 1 -ATOM 1393 C CG1 . ILE A 1 184 . -2.721 74.747 39.222 1 14.79 ? CG1 ILE A 184 1 -ATOM 1394 C CG2 . ILE A 1 184 . -2.389 72.882 37.477 1 10.86 ? CG2 ILE A 184 1 -ATOM 1395 C CD1 . ILE A 1 184 . -3.634 75.214 40.373 1 14.42 ? CD1 ILE A 184 1 -ATOM 1396 N N . GLN A 1 185 . -4.498 74.683 35.222 1 21.09 ? N GLN A 185 1 -ATOM 1397 C CA . GLN A 1 185 . -4.327 75.498 34.02 1 18.39 ? CA GLN A 185 1 -ATOM 1398 C C . GLN A 1 185 . -5.223 76.718 34.082 1 18.63 ? C GLN A 185 1 -ATOM 1399 O O . GLN A 1 185 . -4.812 77.806 33.72 1 20.92 ? O GLN A 185 1 -ATOM 1400 C CB . GLN A 1 185 . -4.637 74.678 32.746 1 15.12 ? CB GLN A 185 1 -ATOM 1401 C CG . GLN A 1 185 . -5.989 73.945 32.83 1 19.6 ? CG GLN A 185 1 -ATOM 1402 C CD . GLN A 1 185 . -6.305 73.169 31.586 1 19.46 ? CD GLN A 185 1 -ATOM 1403 O OE1 . GLN A 1 185 . -6.282 71.952 31.557 1 24.41 ? OE1 GLN A 185 1 -ATOM 1404 N NE2 . GLN A 1 185 . -6.625 73.91 30.555 1 19.15 ? NE2 GLN A 185 1 -ATOM 1405 N N . PHE A 1 186 . -6.446 76.544 34.602 1 13.62 ? N PHE A 186 1 -ATOM 1406 C CA . PHE A 1 186 . -7.335 77.705 34.653 1 15.96 ? CA PHE A 186 1 -ATOM 1407 C C . PHE A 1 186 . -6.889 78.759 35.633 1 16.69 ? C PHE A 186 1 -ATOM 1408 O O . PHE A 1 186 . -7.435 79.855 35.684 1 18.51 ? O PHE A 186 1 -ATOM 1409 C CB . PHE A 1 186 . -8.799 77.332 34.931 1 18.39 ? CB PHE A 186 1 -ATOM 1410 C CG . PHE A 1 186 . -9.188 76.212 34.006 1 23.7 ? CG PHE A 186 1 -ATOM 1411 C CD1 . PHE A 1 186 . -9.287 76.437 32.624 1 23.43 ? CD1 PHE A 186 1 -ATOM 1412 C CD2 . PHE A 1 186 . -9.383 74.923 34.514 1 26.04 ? CD2 PHE A 186 1 -ATOM 1413 C CE1 . PHE A 1 186 . -9.56 75.372 31.761 1 22.42 ? CE1 PHE A 186 1 -ATOM 1414 C CE2 . PHE A 1 186 . -9.654 73.861 33.652 1 23.14 ? CE2 PHE A 186 1 -ATOM 1415 C CZ . PHE A 1 186 . -9.738 74.083 32.274 1 23.73 ? CZ PHE A 186 1 -ATOM 1416 N N . PHE A 1 187 . -5.879 78.411 36.429 1 15.55 ? N PHE A 187 1 -ATOM 1417 C CA . PHE A 1 187 . -5.357 79.346 37.407 1 14.1 ? CA PHE A 187 1 -ATOM 1418 C C . PHE A 1 187 . -3.978 79.81 36.991 1 13.32 ? C PHE A 187 1 -ATOM 1419 O O . PHE A 1 187 . -3.339 80.559 37.714 1 19.48 ? O PHE A 187 1 -ATOM 1420 C CB . PHE A 1 187 . -5.288 78.723 38.811 1 9.5 ? CB PHE A 187 1 -ATOM 1421 C CG . PHE A 1 187 . -6.641 78.3 39.334 1 4.66 ? CG PHE A 187 1 -ATOM 1422 C CD1 . PHE A 1 187 . -7.44 79.189 40.061 1 6.69 ? CD1 PHE A 187 1 -ATOM 1423 C CD2 . PHE A 1 187 . -7.114 76.999 39.104 1 6.8 ? CD2 PHE A 187 1 -ATOM 1424 C CE1 . PHE A 1 187 . -8.689 78.783 40.557 1 6.63 ? CE1 PHE A 187 1 -ATOM 1425 C CE2 . PHE A 1 187 . -8.361 76.586 39.595 1 5.03 ? CE2 PHE A 187 1 -ATOM 1426 C CZ . PHE A 1 187 . -9.154 77.48 40.325 1 3.61 ? CZ PHE A 187 1 -ATOM 1427 N N . GLY A 1 188 . -3.499 79.342 35.845 1 8.19 ? N GLY A 188 1 -ATOM 1428 C CA . GLY A 1 188 . -2.186 79.785 35.402 1 4.82 ? CA GLY A 188 1 -ATOM 1429 C C . GLY A 1 188 . -1.104 78.791 35.711 1 8.15 ? C GLY A 188 1 -ATOM 1430 O O . GLY A 1 188 . 0.08 79.026 35.509 1 9.97 ? O GLY A 188 1 -ATOM 1431 N N . GLY A 1 189 . -1.481 77.614 36.203 1 8.79 ? N GLY A 189 1 -ATOM 1432 C CA . GLY A 1 189 . -0.411 76.673 36.528 1 13.76 ? CA GLY A 189 1 -ATOM 1433 C C . GLY A 1 189 . -0.188 75.661 35.446 1 16.62 ? C GLY A 189 1 -ATOM 1434 O O . GLY A 1 189 . -1.086 75.289 34.711 1 22.62 ? O GLY A 189 1 -ATOM 1435 N N . ASP A 1 190 . 1.039 75.177 35.352 1 15.07 ? N ASP A 190 1 -ATOM 1436 C CA . ASP A 1 190 . 1.391 74.193 34.349 1 13.98 ? CA ASP A 190 1 -ATOM 1437 C C . ASP A 1 190 . 1.259 72.804 34.955 1 12.79 ? C ASP A 190 1 -ATOM 1438 O O . ASP A 1 190 . 2.108 72.434 35.749 1 11.02 ? O ASP A 190 1 -ATOM 1439 C CB . ASP A 1 190 . 2.866 74.426 33.998 1 15.65 ? CB ASP A 190 1 -ATOM 1440 C CG . ASP A 1 190 . 3.469 73.435 33.006 1 23.99 ? CG ASP A 190 1 -ATOM 1441 O OD1 . ASP A 1 190 . 2.841 72.443 32.626 1 21.26 ? OD1 ASP A 190 1 -ATOM 1442 O OD2 . ASP A 1 190 . 4.602 73.669 32.608 1 34.62 ? OD2 ASP A 190 1 -ATOM 1443 N N . PRO A 1 191 . 0.259 71.998 34.566 1 12.68 ? N PRO A 191 1 -ATOM 1444 C CA . PRO A 1 191 . 0.122 70.66 35.15 1 16.22 ? CA PRO A 191 1 -ATOM 1445 C C . PRO A 1 191 . 1.292 69.707 34.98 1 19 ? C PRO A 191 1 -ATOM 1446 O O . PRO A 1 191 . 1.365 68.673 35.628 1 22.85 ? O PRO A 191 1 -ATOM 1447 C CB . PRO A 1 191 . -1.149 70.073 34.529 1 15.2 ? CB PRO A 191 1 -ATOM 1448 C CG . PRO A 1 191 . -1.519 71.005 33.364 1 13.76 ? CG PRO A 191 1 -ATOM 1449 C CD . PRO A 1 191 . -0.786 72.335 33.612 1 11.62 ? CD PRO A 191 1 -ATOM 1450 N N . LYS A 1 192 . 2.204 70.064 34.084 1 21.61 ? N LYS A 192 1 -ATOM 1451 C CA . LYS A 1 192 . 3.363 69.217 33.86 1 28.35 ? CA LYS A 192 1 -ATOM 1452 C C . LYS A 1 192 . 4.542 69.661 34.684 1 27.64 ? C LYS A 192 1 -ATOM 1453 O O . LYS A 1 192 . 5.659 69.192 34.486 1 23.51 ? O LYS A 192 1 -ATOM 1454 C CB . LYS A 1 192 . 3.752 69.154 32.373 1 35.92 ? CB LYS A 192 1 -ATOM 1455 C CG . LYS A 1 192 . 2.56 68.817 31.45 1 47.01 ? CG LYS A 192 1 -ATOM 1456 C CD . LYS A 1 192 . 1.747 67.549 31.847 1 52.79 ? CD LYS A 192 1 -ATOM 1457 C CE . LYS A 1 192 . 0.462 67.361 31.003 1 57.95 ? CE LYS A 192 1 -ATOM 1458 N NZ . LYS A 1 192 . -0.422 66.361 31.583 1 62 ? NZ LYS A 192 1 -ATOM 1459 N N . THR A 1 193 . 4.303 70.605 35.598 1 29.06 ? N THR A 193 1 -ATOM 1460 C CA . THR A 1 193 . 5.398 71.065 36.445 1 31.46 ? CA THR A 193 1 -ATOM 1461 C C . THR A 1 193 . 4.927 71.348 37.86 1 28.81 ? C THR A 193 1 -ATOM 1462 O O . THR A 1 193 . 5.159 72.434 38.382 1 30.32 ? O THR A 193 1 -ATOM 1463 C CB . THR A 1 193 . 6.157 72.253 35.831 1 31.79 ? CB THR A 193 1 -ATOM 1464 O OG1 . THR A 1 193 . 6.252 72.054 34.417 1 35.69 ? OG1 THR A 193 1 -ATOM 1465 C CG2 . THR A 1 193 . 7.596 72.396 36.364 1 33.07 ? CG2 THR A 193 1 -ATOM 1466 N N . VAL A 1 194 . 4.224 70.353 38.45 1 27.55 ? N VAL A 194 1 -ATOM 1467 C CA . VAL A 1 194 . 3.775 70.498 39.821 1 23.61 ? CA VAL A 194 1 -ATOM 1468 C C . VAL A 1 194 . 4.735 69.675 40.659 1 23.2 ? C VAL A 194 1 -ATOM 1469 O O . VAL A 1 194 . 5.07 68.553 40.286 1 21.51 ? O VAL A 194 1 -ATOM 1470 C CB . VAL A 1 194 . 2.301 70.058 40.037 1 18.62 ? CB VAL A 194 1 -ATOM 1471 C CG1 . VAL A 1 194 . 1.364 70.532 38.913 1 23.81 ? CG1 VAL A 194 1 -ATOM 1472 C CG2 . VAL A 1 194 . 2.127 68.549 40.147 1 18.56 ? CG2 VAL A 194 1 -ATOM 1473 N N . THR A 1 195 . 5.167 70.242 41.773 1 24.74 ? N THR A 195 1 -ATOM 1474 C CA . THR A 1 195 . 6.053 69.596 42.723 1 24.42 ? CA THR A 195 1 -ATOM 1475 C C . THR A 1 195 . 5.24 69.404 44.033 1 21.5 ? C THR A 195 1 -ATOM 1476 O O . THR A 1 195 . 4.592 70.33 44.517 1 23.06 ? O THR A 195 1 -ATOM 1477 C CB . THR A 1 195 . 7.246 70.554 42.929 1 25.9 ? CB THR A 195 1 -ATOM 1478 O OG1 . THR A 1 195 . 7.944 70.758 41.698 1 26.7 ? OG1 THR A 195 1 -ATOM 1479 C CG2 . THR A 1 195 . 8.274 70.117 43.978 1 23.91 ? CG2 THR A 195 1 -ATOM 1480 N N . ILE A 1 196 . 5.234 68.191 44.586 1 17.85 ? N ILE A 196 1 -ATOM 1481 C CA . ILE A 1 196 . 4.52 68.008 45.837 1 13.44 ? CA ILE A 196 1 -ATOM 1482 C C . ILE A 1 196 . 5.592 68.167 46.934 1 17.35 ? C ILE A 196 1 -ATOM 1483 O O . ILE A 1 196 . 6.678 67.597 46.804 1 19.81 ? O ILE A 196 1 -ATOM 1484 C CB . ILE A 1 196 . 3.856 66.618 45.882 1 4.26 ? CB ILE A 196 1 -ATOM 1485 C CG1 . ILE A 1 196 . 4.785 65.463 45.468 1 2 ? CG1 ILE A 196 1 -ATOM 1486 C CG2 . ILE A 1 196 . 2.594 66.612 45.039 1 3.52 ? CG2 ILE A 196 1 -ATOM 1487 C CD1 . ILE A 1 196 . 4.19 64.075 45.727 1 2 ? CD1 ILE A 196 1 -ATOM 1488 N N . PHE A 1 197 . 5.316 68.96 47.982 1 16.41 ? N PHE A 197 1 -ATOM 1489 C CA . PHE A 1 197 . 6.277 69.12 49.077 1 15.7 ? CA PHE A 197 1 -ATOM 1490 C C . PHE A 1 197 . 5.505 68.817 50.347 1 16.69 ? C PHE A 197 1 -ATOM 1491 O O . PHE A 1 197 . 4.294 68.99 50.354 1 20.3 ? O PHE A 197 1 -ATOM 1492 C CB . PHE A 1 197 . 7.093 70.444 49.051 1 14.78 ? CB PHE A 197 1 -ATOM 1493 C CG . PHE A 1 197 . 6.459 71.814 49.265 1 11.75 ? CG PHE A 197 1 -ATOM 1494 C CD1 . PHE A 1 197 . 5.179 72.144 48.782 1 8.99 ? CD1 PHE A 197 1 -ATOM 1495 C CD2 . PHE A 1 197 . 7.204 72.808 49.944 1 6.26 ? CD2 PHE A 197 1 -ATOM 1496 C CE1 . PHE A 1 197 . 4.653 73.437 48.985 1 9.05 ? CE1 PHE A 197 1 -ATOM 1497 C CE2 . PHE A 1 197 . 6.683 74.095 50.142 1 5.01 ? CE2 PHE A 197 1 -ATOM 1498 C CZ . PHE A 1 197 . 5.4 74.412 49.668 1 4.37 ? CZ PHE A 197 1 -ATOM 1499 N N . GLY A 1 198 . 6.169 68.335 51.407 1 17.51 ? N GLY A 198 1 -ATOM 1500 C CA . GLY A 1 198 . 5.44 68.026 52.652 1 14.35 ? CA GLY A 198 1 -ATOM 1501 C C . GLY A 1 198 . 6.441 67.752 53.757 1 12.67 ? C GLY A 198 1 -ATOM 1502 O O . GLY A 1 198 . 7.595 67.431 53.481 1 7.51 ? O GLY A 198 1 -ATOM 1503 N N . GLU A 1 199 . 6.002 67.858 55.024 1 13.87 ? N GLU A 199 1 -ATOM 1504 C CA . GLU A 1 199 . 6.901 67.638 56.174 1 11.81 ? CA GLU A 199 1 -ATOM 1505 C C . GLU A 1 199 . 6.361 66.609 57.156 1 12.2 ? C GLU A 199 1 -ATOM 1506 O O . GLU A 1 199 . 5.153 66.503 57.326 1 13.4 ? O GLU A 199 1 -ATOM 1507 C CB . GLU A 1 199 . 7.09 68.986 56.878 1 11 ? CB GLU A 199 1 -ATOM 1508 C CG . GLU A 1 199 . 8.063 69.009 58.069 1 16 ? CG GLU A 199 1 -ATOM 1509 C CD . GLU A 1 199 . 7.362 68.769 59.401 1 15.2 ? CD GLU A 199 1 -ATOM 1510 O OE1 . GLU A 1 199 . 6.154 68.632 59.412 1 17.52 ? OE1 GLU A 199 1 -ATOM 1511 O OE2 . GLU A 1 199 . 8.012 68.711 60.431 1 11.72 ? OE2 GLU A 199 1 -ATOM 1512 N N . SER A 1 200 . 7.242 65.857 57.833 1 11.87 ? N SER A 200 1 -ATOM 1513 C CA . SER A 1 200 . 6.778 64.855 58.793 1 12.54 ? CA SER A 200 1 -ATOM 1514 C C . SER A 1 200 . 5.938 63.86 58.001 1 12.69 ? C SER A 200 1 -ATOM 1515 O O . SER A 1 200 . 6.403 63.292 57.025 1 15.4 ? O SER A 200 1 -ATOM 1516 C CB . SER A 1 200 . 6.151 65.519 60.05 1 13.3 ? CB SER A 200 1 -ATOM 1517 O OG . SER A 1 200 . 5.634 64.653 61.093 1 21.59 ? OG SER A 200 1 -ATOM 1518 N N . ALA A 1 201 . 4.675 63.68 58.393 1 11.48 ? N ALA A 201 1 -ATOM 1519 C CA . ALA A 1 201 . 3.821 62.741 57.676 1 10.52 ? CA ALA A 201 1 -ATOM 1520 C C . ALA A 1 201 . 3.596 63.203 56.25 1 13.66 ? C ALA A 201 1 -ATOM 1521 O O . ALA A 1 201 . 3.349 62.402 55.369 1 17.28 ? O ALA A 201 1 -ATOM 1522 C CB . ALA A 1 201 . 2.477 62.545 58.374 1 10.33 ? CB ALA A 201 1 -ATOM 1523 N N . GLY A 1 202 . 3.704 64.518 56.03 1 12.24 ? N GLY A 202 1 -ATOM 1524 C CA . GLY A 1 202 . 3.539 65.025 54.675 1 12.84 ? CA GLY A 202 1 -ATOM 1525 C C . GLY A 1 202 . 4.71 64.547 53.834 1 14.34 ? C GLY A 202 1 -ATOM 1526 O O . GLY A 1 202 . 4.568 64 52.754 1 18.23 ? O GLY A 202 1 -ATOM 1527 N N . GLY A 1 203 . 5.918 64.706 54.373 1 9.95 ? N GLY A 203 1 -ATOM 1528 C CA . GLY A 1 203 . 7.081 64.248 53.628 1 6.16 ? CA GLY A 203 1 -ATOM 1529 C C . GLY A 1 203 . 7.043 62.74 53.414 1 3.97 ? C GLY A 203 1 -ATOM 1530 O O . GLY A 1 203 . 7.506 62.188 52.429 1 7.91 ? O GLY A 203 1 -ATOM 1531 N N . ALA A 1 204 . 6.469 62.029 54.374 1 4.18 ? N ALA A 204 1 -ATOM 1532 C CA . ALA A 1 204 . 6.396 60.587 54.173 1 5.94 ? CA ALA A 204 1 -ATOM 1533 C C . ALA A 1 204 . 5.338 60.269 53.101 1 6.82 ? C ALA A 204 1 -ATOM 1534 O O . ALA A 1 204 . 5.487 59.338 52.319 1 10.15 ? O ALA A 204 1 -ATOM 1535 C CB . ALA A 1 204 . 6.106 59.837 55.485 1 4.71 ? CB ALA A 204 1 -ATOM 1536 N N . SER A 1 205 . 4.261 61.055 53.073 1 5.33 ? N SER A 205 1 -ATOM 1537 C CA . SER A 1 205 . 3.218 60.858 52.077 1 5.86 ? CA SER A 205 1 -ATOM 1538 C C . SER A 1 205 . 3.78 61.076 50.653 1 8.2 ? C SER A 205 1 -ATOM 1539 O O . SER A 1 205 . 3.547 60.32 49.715 1 8.05 ? O SER A 205 1 -ATOM 1540 C CB . SER A 1 205 . 2.075 61.857 52.346 1 7.72 ? CB SER A 205 1 -ATOM 1541 O OG . SER A 1 205 . 1.365 61.451 53.513 1 5.9 ? OG SER A 205 1 -ATOM 1542 N N . VAL A 1 206 . 4.566 62.146 50.515 1 6.12 ? N VAL A 206 1 -ATOM 1543 C CA . VAL A 1 206 . 5.196 62.469 49.256 1 2 ? CA VAL A 206 1 -ATOM 1544 C C . VAL A 1 206 . 5.972 61.252 48.764 1 3.78 ? C VAL A 206 1 -ATOM 1545 O O . VAL A 1 206 . 5.787 60.752 47.665 1 11.42 ? O VAL A 206 1 -ATOM 1546 C CB . VAL A 1 206 . 6.055 63.713 49.507 1 2 ? CB VAL A 206 1 -ATOM 1547 C CG1 . VAL A 1 206 . 7.097 63.956 48.444 1 2 ? CG1 VAL A 206 1 -ATOM 1548 C CG2 . VAL A 1 206 . 5.182 64.976 49.697 1 2 ? CG2 VAL A 206 1 -ATOM 1549 N N . GLY A 1 207 . 6.842 60.733 49.604 1 4.92 ? N GLY A 207 1 -ATOM 1550 C CA . GLY A 1 207 . 7.56 59.553 49.153 1 5.92 ? CA GLY A 207 1 -ATOM 1551 C C . GLY A 1 207 . 6.625 58.386 48.855 1 8.28 ? C GLY A 207 1 -ATOM 1552 O O . GLY A 1 207 . 6.941 57.511 48.058 1 10.84 ? O GLY A 207 1 -ATOM 1553 N N . MET A 1 208 . 5.454 58.37 49.497 1 7.2 ? N MET A 208 1 -ATOM 1554 C CA . MET A 1 208 . 4.528 57.283 49.206 1 13.02 ? CA MET A 208 1 -ATOM 1555 C C . MET A 1 208 . 3.913 57.475 47.828 1 14.81 ? C MET A 208 1 -ATOM 1556 O O . MET A 1 208 . 3.509 56.511 47.199 1 18.28 ? O MET A 208 1 -ATOM 1557 C CB . MET A 1 208 . 3.466 57.097 50.302 1 12.68 ? CB MET A 208 1 -ATOM 1558 C CG . MET A 1 208 . 4.136 56.577 51.591 1 17.91 ? CG MET A 208 1 -ATOM 1559 S SD . MET A 1 208 . 3.052 56.711 53.03 1 20.21 ? SD MET A 208 1 -ATOM 1560 C CE . MET A 1 208 . 3.906 55.526 54.098 1 20.24 ? CE MET A 208 1 -ATOM 1561 N N . HIS A 1 209 . 3.848 58.718 47.34 1 14.66 ? N HIS A 209 1 -ATOM 1562 C CA . HIS A 1 209 . 3.291 58.947 45.996 1 11.19 ? CA HIS A 209 1 -ATOM 1563 C C . HIS A 1 209 . 4.358 58.572 44.978 1 11.42 ? C HIS A 209 1 -ATOM 1564 O O . HIS A 1 209 . 4.084 58.017 43.928 1 14.54 ? O HIS A 209 1 -ATOM 1565 C CB . HIS A 1 209 . 2.747 60.365 45.814 1 5.09 ? CB HIS A 209 1 -ATOM 1566 C CG . HIS A 1 209 . 1.485 60.551 46.643 1 10.19 ? CG HIS A 209 1 -ATOM 1567 N ND1 . HIS A 1 209 . 1.229 61.615 47.439 1 6.95 ? ND1 HIS A 209 1 -ATOM 1568 C CD2 . HIS A 1 209 . 0.35 59.703 46.712 1 11.14 ? CD2 HIS A 209 1 -ATOM 1569 C CE1 . HIS A 1 209 . -0.001 61.438 47.94 1 5.74 ? CE1 HIS A 209 1 -ATOM 1570 N NE2 . HIS A 1 209 . -0.557 60.293 47.518 1 9.38 ? NE2 HIS A 209 1 -ATOM 1571 N N . ILE A 1 210 . 5.61 58.86 45.305 1 6.53 ? N ILE A 210 1 -ATOM 1572 C CA . ILE A 1 210 . 6.673 58.44 44.411 1 3.94 ? CA ILE A 210 1 -ATOM 1573 C C . ILE A 1 210 . 6.668 56.913 44.266 1 5.37 ? C ILE A 210 1 -ATOM 1574 O O . ILE A 1 210 . 7.18 56.4 43.284 1 6.16 ? O ILE A 210 1 -ATOM 1575 C CB . ILE A 1 210 . 8.032 58.884 45.019 1 2 ? CB ILE A 210 1 -ATOM 1576 C CG1 . ILE A 1 210 . 8.188 60.403 44.963 1 2 ? CG1 ILE A 210 1 -ATOM 1577 C CG2 . ILE A 1 210 . 9.267 58.176 44.438 1 2 ? CG2 ILE A 210 1 -ATOM 1578 C CD1 . ILE A 1 210 . 9.641 60.86 45.13 1 2 ? CD1 ILE A 210 1 -ATOM 1579 N N . LEU A 1 211 . 6.136 56.196 45.27 1 9.23 ? N LEU A 211 1 -ATOM 1580 C CA . LEU A 1 211 . 6.13 54.723 45.227 1 11.06 ? CA LEU A 211 1 -ATOM 1581 C C . LEU A 1 211 . 4.86 54.134 44.636 1 10.95 ? C LEU A 211 1 -ATOM 1582 O O . LEU A 1 211 . 4.847 53.175 43.886 1 11.23 ? O LEU A 211 1 -ATOM 1583 C CB . LEU A 1 211 . 6.248 54.128 46.66 1 12.8 ? CB LEU A 211 1 -ATOM 1584 C CG . LEU A 1 211 . 7.587 54.369 47.402 1 13.52 ? CG LEU A 211 1 -ATOM 1585 C CD1 . LEU A 1 211 . 7.445 54.183 48.916 1 17.51 ? CD1 LEU A 211 1 -ATOM 1586 C CD2 . LEU A 1 211 . 8.665 53.413 46.916 1 12.1 ? CD2 LEU A 211 1 -ATOM 1587 N N . SER A 1 212 . 3.736 54.704 45.013 1 14.7 ? N SER A 212 1 -ATOM 1588 C CA . SER A 1 212 . 2.476 54.173 44.523 1 14.5 ? CA SER A 212 1 -ATOM 1589 C C . SER A 1 212 . 2.337 54.386 43.025 1 21.75 ? C SER A 212 1 -ATOM 1590 O O . SER A 1 212 . 2.259 55.534 42.568 1 21.93 ? O SER A 212 1 -ATOM 1591 C CB . SER A 1 212 . 1.355 54.934 45.211 1 15.12 ? CB SER A 212 1 -ATOM 1592 O OG . SER A 1 212 . 0.118 54.303 44.978 1 13.22 ? OG SER A 212 1 -ATOM 1593 N N . PRO A 1 213 . 2.192 53.264 42.271 1 23.23 ? N PRO A 213 1 -ATOM 1594 C CA . PRO A 1 213 . 1.945 53.349 40.829 1 21.02 ? CA PRO A 213 1 -ATOM 1595 C C . PRO A 1 213 . 0.849 54.321 40.459 1 19.13 ? C PRO A 213 1 -ATOM 1596 O O . PRO A 1 213 . 1.017 55.184 39.612 1 27.56 ? O PRO A 213 1 -ATOM 1597 C CB . PRO A 1 213 . 1.602 51.919 40.393 1 20.29 ? CB PRO A 213 1 -ATOM 1598 C CG . PRO A 1 213 . 2.09 51.014 41.535 1 28 ? CG PRO A 213 1 -ATOM 1599 C CD . PRO A 1 213 . 2.252 51.897 42.783 1 25.05 ? CD PRO A 213 1 -ATOM 1600 N N . GLY A 1 214 . -0.279 54.169 41.142 1 14.82 ? N GLY A 214 1 -ATOM 1601 C CA . GLY A 1 214 . -1.396 55.057 40.855 1 11.73 ? CA GLY A 214 1 -ATOM 1602 C C . GLY A 1 214 . -1.131 56.562 40.981 1 16.73 ? C GLY A 214 1 -ATOM 1603 O O . GLY A 1 214 . -1.838 57.366 40.392 1 18.79 ? O GLY A 214 1 -ATOM 1604 N N . SER A 1 215 . -0.12 56.979 41.746 1 17.16 ? N SER A 215 1 -ATOM 1605 C CA . SER A 1 215 . 0.068 58.425 41.839 1 16.69 ? CA SER A 215 1 -ATOM 1606 C C . SER A 1 215 . 1.252 58.958 41.067 1 16.13 ? C SER A 215 1 -ATOM 1607 O O . SER A 1 215 . 1.328 60.161 40.835 1 15.15 ? O SER A 215 1 -ATOM 1608 C CB . SER A 1 215 . 0.333 58.824 43.298 1 18.02 ? CB SER A 215 1 -ATOM 1609 O OG . SER A 1 215 . -0.78 58.428 44.069 1 16.1 ? OG SER A 215 1 -ATOM 1610 N N . ARG A 1 216 . 2.166 58.067 40.662 1 11.76 ? N ARG A 216 1 -ATOM 1611 C CA . ARG A 1 216 . 3.365 58.553 39.993 1 7.47 ? CA ARG A 216 1 -ATOM 1612 C C . ARG A 1 216 . 3.154 59.544 38.901 1 12.43 ? C ARG A 216 1 -ATOM 1613 O O . ARG A 1 216 . 4.003 60.381 38.658 1 13.54 ? O ARG A 216 1 -ATOM 1614 C CB . ARG A 1 216 . 4.172 57.414 39.365 1 3.07 ? CB ARG A 216 1 -ATOM 1615 C CG . ARG A 1 216 . 4.511 56.315 40.358 1 4.23 ? CG ARG A 216 1 -ATOM 1616 C CD . ARG A 1 216 . 5.389 55.216 39.79 1 3.04 ? CD ARG A 216 1 -ATOM 1617 N NE . ARG A 1 216 . 5.359 54.129 40.725 1 5.69 ? NE ARG A 216 1 -ATOM 1618 C CZ . ARG A 1 216 . 5.964 52.959 40.55 1 11.34 ? CZ ARG A 216 1 -ATOM 1619 N NH1 . ARG A 1 216 . 6.79 52.725 39.536 1 14.95 ? NH1 ARG A 216 1 -ATOM 1620 N NH2 . ARG A 1 216 . 5.701 52.009 41.433 1 13.59 ? NH2 ARG A 216 1 -ATOM 1621 N N . ASP A 1 217 . 2 59.449 38.236 1 15 ? N ASP A 217 1 -ATOM 1622 C CA . ASP A 1 217 . 1.829 60.353 37.105 1 19.24 ? CA ASP A 217 1 -ATOM 1623 C C . ASP A 1 217 . 1.248 61.74 37.367 1 18.74 ? C ASP A 217 1 -ATOM 1624 O O . ASP A 1 217 . 1.229 62.518 36.421 1 21.91 ? O ASP A 217 1 -ATOM 1625 C CB . ASP A 1 217 . 0.959 59.675 36.016 1 23.06 ? CB ASP A 217 1 -ATOM 1626 C CG . ASP A 1 217 . 1.414 58.278 35.549 1 25.62 ? CG ASP A 217 1 -ATOM 1627 O OD1 . ASP A 1 217 . 2.548 57.88 35.829 1 22.78 ? OD1 ASP A 217 1 -ATOM 1628 O OD2 . ASP A 1 217 . 0.623 57.592 34.893 1 22.82 ? OD2 ASP A 217 1 -ATOM 1629 N N . LEU A 1 218 . 0.777 62.06 38.588 1 16.28 ? N LEU A 218 1 -ATOM 1630 C CA . LEU A 1 218 . 0.167 63.379 38.791 1 7.33 ? CA LEU A 218 1 -ATOM 1631 C C . LEU A 1 218 . 1.103 64.435 39.32 1 6.79 ? C LEU A 218 1 -ATOM 1632 O O . LEU A 1 218 . 0.637 65.48 39.781 1 8.66 ? O LEU A 218 1 -ATOM 1633 C CB . LEU A 1 218 . -1.065 63.315 39.71 1 4.41 ? CB LEU A 218 1 -ATOM 1634 C CG . LEU A 1 218 . -2.056 62.222 39.286 1 5.15 ? CG LEU A 218 1 -ATOM 1635 C CD1 . LEU A 1 218 . -1.925 61.003 40.179 1 12.78 ? CD1 LEU A 218 1 -ATOM 1636 C CD2 . LEU A 1 218 . -3.501 62.692 39.304 1 9.62 ? CD2 LEU A 218 1 -ATOM 1637 N N . PHE A 1 219 . 2.408 64.162 39.3 1 2 ? N PHE A 219 1 -ATOM 1638 C CA . PHE A 1 219 . 3.315 65.184 39.796 1 3.78 ? CA PHE A 219 1 -ATOM 1639 C C . PHE A 1 219 . 4.652 64.96 39.09 1 6.87 ? C PHE A 219 1 -ATOM 1640 O O . PHE A 1 219 . 4.892 63.889 38.535 1 2 ? O PHE A 219 1 -ATOM 1641 C CB . PHE A 1 219 . 3.368 65.195 41.347 1 3.53 ? CB PHE A 219 1 -ATOM 1642 C CG . PHE A 1 219 . 3.986 63.928 41.898 1 2 ? CG PHE A 219 1 -ATOM 1643 C CD1 . PHE A 1 219 . 3.212 62.771 42.06 1 2 ? CD1 PHE A 219 1 -ATOM 1644 C CD2 . PHE A 1 219 . 5.364 63.892 42.168 1 2 ? CD2 PHE A 219 1 -ATOM 1645 C CE1 . PHE A 1 219 . 3.828 61.581 42.454 1 2 ? CE1 PHE A 219 1 -ATOM 1646 C CE2 . PHE A 1 219 . 5.977 62.707 42.564 1 2 ? CE2 PHE A 219 1 -ATOM 1647 C CZ . PHE A 1 219 . 5.206 61.55 42.701 1 2 ? CZ PHE A 219 1 -ATOM 1648 N N . ARG A 1 220 . 5.515 65.991 39.12 1 6.39 ? N ARG A 220 1 -ATOM 1649 C CA . ARG A 1 220 . 6.808 65.884 38.44 1 9.97 ? CA ARG A 220 1 -ATOM 1650 C C . ARG A 1 220 . 7.912 65.556 39.397 1 14.43 ? C ARG A 220 1 -ATOM 1651 O O . ARG A 1 220 . 8.466 64.473 39.36 1 18.16 ? O ARG A 220 1 -ATOM 1652 C CB . ARG A 1 220 . 7.108 67.173 37.64 1 12.04 ? CB ARG A 220 1 -ATOM 1653 C CG . ARG A 1 220 . 8.271 67.027 36.635 1 15.91 ? CG ARG A 220 1 -ATOM 1654 C CD . ARG A 1 220 . 8 67.797 35.337 1 19.43 ? CD ARG A 220 1 -ATOM 1655 N NE . ARG A 1 220 . 9.148 67.726 34.445 1 22.8 ? NE ARG A 220 1 -ATOM 1656 C CZ . ARG A 1 220 . 9.27 68.564 33.4 1 22.42 ? CZ ARG A 220 1 -ATOM 1657 N NH1 . ARG A 1 220 . 8.375 69.516 33.153 1 20.61 ? NH1 ARG A 220 1 -ATOM 1658 N NH2 . ARG A 1 220 . 10.321 68.455 32.605 1 25.46 ? NH2 ARG A 220 1 -ATOM 1659 N N . ARG A 1 221 . 8.195 66.527 40.276 1 17.89 ? N ARG A 221 1 -ATOM 1660 C CA . ARG A 1 221 . 9.258 66.383 41.266 1 17.22 ? CA ARG A 221 1 -ATOM 1661 C C . ARG A 1 221 . 8.644 66.313 42.658 1 17.46 ? C ARG A 221 1 -ATOM 1662 O O . ARG A 1 221 . 7.445 66.512 42.819 1 17.58 ? O ARG A 221 1 -ATOM 1663 C CB . ARG A 1 221 . 10.161 67.625 41.216 1 19.05 ? CB ARG A 221 1 -ATOM 1664 C CG . ARG A 1 221 . 10.647 68.028 39.816 1 16.37 ? CG ARG A 221 1 -ATOM 1665 C CD . ARG A 1 221 . 11.06 69.518 39.785 1 28.68 ? CD ARG A 221 1 -ATOM 1666 N NE . ARG A 1 221 . 10.931 70.103 38.46 1 33.55 ? NE ARG A 221 1 -ATOM 1667 C CZ . ARG A 1 221 . 11.679 69.665 37.455 1 35.29 ? CZ ARG A 221 1 -ATOM 1668 N NH1 . ARG A 1 221 . 12.631 68.772 37.692 1 34.37 ? NH1 ARG A 221 1 -ATOM 1669 N NH2 . ARG A 1 221 . 11.456 70.112 36.218 1 36.84 ? NH2 ARG A 221 1 -ATOM 1670 N N . ALA A 1 222 . 9.486 66.088 43.675 1 15.7 ? N ALA A 222 1 -ATOM 1671 C CA . ALA A 1 222 . 8.963 66.034 45.036 1 13.29 ? CA ALA A 222 1 -ATOM 1672 C C . ALA A 1 222 . 10.009 66.556 46.017 1 13.23 ? C ALA A 222 1 -ATOM 1673 O O . ALA A 1 222 . 11.2 66.445 45.737 1 14.05 ? O ALA A 222 1 -ATOM 1674 C CB . ALA A 1 222 . 8.669 64.583 45.397 1 9.62 ? CB ALA A 222 1 -ATOM 1675 N N . ILE A 1 223 . 9.543 67.114 47.149 1 13.4 ? N ILE A 223 1 -ATOM 1676 C CA . ILE A 1 223 . 10.397 67.622 48.233 1 11.2 ? CA ILE A 223 1 -ATOM 1677 C C . ILE A 1 223 . 9.9 66.909 49.494 1 11.06 ? C ILE A 223 1 -ATOM 1678 O O . ILE A 1 223 . 8.696 66.894 49.755 1 9.43 ? O ILE A 223 1 -ATOM 1679 C CB . ILE A 1 223 . 10.267 69.139 48.446 1 7.01 ? CB ILE A 223 1 -ATOM 1680 C CG1 . ILE A 1 223 . 10.63 69.951 47.196 1 8.53 ? CG1 ILE A 223 1 -ATOM 1681 C CG2 . ILE A 1 223 . 11.073 69.602 49.656 1 6.83 ? CG2 ILE A 223 1 -ATOM 1682 C CD1 . ILE A 1 223 . 10.706 71.477 47.4 1 2 ? CD1 ILE A 223 1 -ATOM 1683 N N . LEU A 1 224 . 10.832 66.364 50.282 1 10.82 ? N LEU A 224 1 -ATOM 1684 C CA . LEU A 1 224 . 10.454 65.636 51.504 1 10.14 ? CA LEU A 224 1 -ATOM 1685 C C . LEU A 1 224 . 11.186 66.286 52.662 1 7.47 ? C LEU A 224 1 -ATOM 1686 O O . LEU A 1 224 . 12.407 66.353 52.657 1 8.76 ? O LEU A 224 1 -ATOM 1687 C CB . LEU A 1 224 . 10.856 64.138 51.432 1 9.75 ? CB LEU A 224 1 -ATOM 1688 C CG . LEU A 1 224 . 10.162 63.329 50.311 1 4.79 ? CG LEU A 224 1 -ATOM 1689 C CD1 . LEU A 1 224 . 10.817 63.512 48.939 1 5.18 ? CD1 LEU A 224 1 -ATOM 1690 C CD2 . LEU A 1 224 . 10.126 61.833 50.641 1 2 ? CD2 LEU A 224 1 -ATOM 1691 N N . GLN A 1 225 . 10.441 66.772 53.661 1 6.25 ? N GLN A 225 1 -ATOM 1692 C CA . GLN A 1 225 . 11.071 67.435 54.809 1 5.17 ? CA GLN A 225 1 -ATOM 1693 C C . GLN A 1 225 . 10.84 66.6 56.068 1 5.65 ? C GLN A 225 1 -ATOM 1694 O O . GLN A 1 225 . 9.703 66.387 56.488 1 4.29 ? O GLN A 225 1 -ATOM 1695 C CB . GLN A 1 225 . 10.491 68.867 54.981 1 6.19 ? CB GLN A 225 1 -ATOM 1696 C CG . GLN A 1 225 . 10.039 69.499 53.638 1 9.69 ? CG GLN A 225 1 -ATOM 1697 C CD . GLN A 1 225 . 9.983 71.001 53.631 1 7.42 ? CD GLN A 225 1 -ATOM 1698 O OE1 . GLN A 1 225 . 8.963 71.66 53.579 1 11.52 ? OE1 GLN A 225 1 -ATOM 1699 N NE2 . GLN A 1 225 . 11.165 71.555 53.655 1 14.31 ? NE2 GLN A 225 1 -ATOM 1700 N N . SER A 1 226 . 11.935 66.119 56.667 1 7.22 ? N SER A 226 1 -ATOM 1701 C CA . SER A 1 226 . 11.87 65.309 57.882 1 7.97 ? CA SER A 226 1 -ATOM 1702 C C . SER A 1 226 . 10.855 64.187 57.79 1 9.27 ? C SER A 226 1 -ATOM 1703 O O . SER A 1 226 . 10.069 63.996 58.704 1 14.08 ? O SER A 226 1 -ATOM 1704 C CB . SER A 1 226 . 11.509 66.207 59.087 1 9.13 ? CB SER A 226 1 -ATOM 1705 O OG . SER A 1 226 . 12.345 67.38 59.155 1 17.16 ? OG SER A 226 1 -ATOM 1706 N N . GLY A 1 227 . 10.841 63.453 56.686 1 9.93 ? N GLY A 227 1 -ATOM 1707 C CA . GLY A 1 227 . 9.866 62.365 56.553 1 10 ? CA GLY A 227 1 -ATOM 1708 C C . GLY A 1 227 . 10.398 61.422 55.485 1 9.65 ? C GLY A 227 1 -ATOM 1709 O O . GLY A 1 227 . 11.241 61.798 54.678 1 9.92 ? O GLY A 227 1 -ATOM 1710 N N . SER A 1 228 . 9.934 60.186 55.475 1 4.61 ? N SER A 228 1 -ATOM 1711 C CA . SER A 1 228 . 10.456 59.283 54.477 1 4.86 ? CA SER A 228 1 -ATOM 1712 C C . SER A 1 228 . 9.499 58.143 54.546 1 8.96 ? C SER A 228 1 -ATOM 1713 O O . SER A 1 228 . 9.098 57.836 55.653 1 14.21 ? O SER A 228 1 -ATOM 1714 C CB . SER A 1 228 . 11.86 58.847 54.901 1 2.4 ? CB SER A 228 1 -ATOM 1715 O OG . SER A 1 228 . 12.576 58.342 53.834 1 10.54 ? OG SER A 228 1 -ATOM 1716 N N . PRO A 1 229 . 9.076 57.527 53.426 1 11.99 ? N PRO A 229 1 -ATOM 1717 C CA . PRO A 1 229 . 7.931 56.615 53.484 1 9.6 ? CA PRO A 229 1 -ATOM 1718 C C . PRO A 1 229 . 8.277 55.397 54.298 1 7.79 ? C PRO A 229 1 -ATOM 1719 O O . PRO A 1 229 . 7.446 54.725 54.874 1 10.9 ? O PRO A 229 1 -ATOM 1720 C CB . PRO A 1 229 . 7.694 56.249 52.014 1 10.02 ? CB PRO A 229 1 -ATOM 1721 C CG . PRO A 1 229 . 9.027 56.508 51.286 1 11.62 ? CG PRO A 229 1 -ATOM 1722 C CD . PRO A 1 229 . 9.709 57.613 52.107 1 11.57 ? CD PRO A 229 1 -ATOM 1723 N N . ASN A 1 230 . 9.573 55.114 54.322 1 7.25 ? N ASN A 230 1 -ATOM 1724 C CA . ASN A 1 230 . 10.101 53.963 55.035 1 6.94 ? CA ASN A 230 1 -ATOM 1725 C C . ASN A 1 230 . 10.359 54.238 56.512 1 9.37 ? C ASN A 230 1 -ATOM 1726 O O . ASN A 1 230 . 10.986 53.433 57.193 1 15.47 ? O ASN A 230 1 -ATOM 1727 C CB . ASN A 1 230 . 11.407 53.456 54.369 1 2 ? CB ASN A 230 1 -ATOM 1728 C CG . ASN A 1 230 . 12.516 54.501 54.448 1 6.77 ? CG ASN A 230 1 -ATOM 1729 O OD1 . ASN A 1 230 . 12.303 55.69 54.241 1 2 ? OD1 ASN A 230 1 -ATOM 1730 N ND2 . ASN A 1 230 . 13.72 54.047 54.77 1 11.81 ? ND2 ASN A 230 1 -ATOM 1731 N N . CYS A 1 231 . 9.937 55.401 57.009 1 7.38 ? N CYS A 231 1 -ATOM 1732 C CA . CYS A 1 231 . 10.172 55.654 58.423 1 5.55 ? CA CYS A 231 1 -ATOM 1733 C C . CYS A 1 231 . 9.274 54.707 59.206 1 7.9 ? C CYS A 231 1 -ATOM 1734 O O . CYS A 1 231 . 8.155 54.482 58.758 1 6.82 ? O CYS A 231 1 -ATOM 1735 C CB . CYS A 1 231 . 9.735 57.072 58.763 1 2.72 ? CB CYS A 231 1 -ATOM 1736 S SG . CYS A 1 231 . 10.98 58.262 58.302 1 16.21 ? SG CYS A 231 1 -ATOM 1737 N N . PRO A 1 232 . 9.742 54.211 60.387 1 6.94 ? N PRO A 232 1 -ATOM 1738 C CA . PRO A 1 232 . 9.078 53.113 61.078 1 6.07 ? CA PRO A 232 1 -ATOM 1739 C C . PRO A 1 232 . 7.696 53.428 61.555 1 10.04 ? C PRO A 232 1 -ATOM 1740 O O . PRO A 1 232 . 6.866 52.567 61.792 1 14.91 ? O PRO A 232 1 -ATOM 1741 C CB . PRO A 1 232 . 9.964 52.84 62.296 1 3.63 ? CB PRO A 232 1 -ATOM 1742 C CG . PRO A 1 232 . 10.918 54.028 62.451 1 2 ? CG PRO A 232 1 -ATOM 1743 C CD . PRO A 1 232 . 10.904 54.738 61.101 1 6.31 ? CD PRO A 232 1 -ATOM 1744 N N . TRP A 1 233 . 7.475 54.719 61.733 1 10.65 ? N TRP A 233 1 -ATOM 1745 C CA . TRP A 1 233 . 6.176 55.128 62.214 1 10.28 ? CA TRP A 233 1 -ATOM 1746 C C . TRP A 1 233 . 5.197 55.439 61.106 1 12.09 ? C TRP A 233 1 -ATOM 1747 O O . TRP A 1 233 . 4.084 55.868 61.389 1 15.11 ? O TRP A 233 1 -ATOM 1748 C CB . TRP A 1 233 . 6.341 56.372 63.088 1 7.96 ? CB TRP A 233 1 -ATOM 1749 C CG . TRP A 1 233 . 7.222 57.386 62.399 1 7 ? CG TRP A 233 1 -ATOM 1750 C CD1 . TRP A 1 233 . 8.621 57.518 62.583 1 9.69 ? CD1 TRP A 233 1 -ATOM 1751 C CD2 . TRP A 1 233 . 6.822 58.383 61.495 1 5.75 ? CD2 TRP A 233 1 -ATOM 1752 N NE1 . TRP A 1 233 . 9.099 58.558 61.845 1 9.36 ? NE1 TRP A 233 1 -ATOM 1753 C CE2 . TRP A 1 233 . 8.057 59.138 61.158 1 6.32 ? CE2 TRP A 233 1 -ATOM 1754 C CE3 . TRP A 1 233 . 5.602 58.746 60.911 1 4.33 ? CE3 TRP A 233 1 -ATOM 1755 C CZ2 . TRP A 1 233 . 7.987 60.215 60.272 1 2 ? CZ2 TRP A 233 1 -ATOM 1756 C CZ3 . TRP A 1 233 . 5.565 59.831 60.018 1 4.01 ? CZ3 TRP A 233 1 -ATOM 1757 C CH2 . TRP A 1 233 . 6.738 60.552 59.709 1 5.7 ? CH2 TRP A 233 1 -ATOM 1758 N N . ALA A 1 234 . 5.603 55.263 59.837 1 10.4 ? N ALA A 234 1 -ATOM 1759 C CA . ALA A 1 234 . 4.664 55.613 58.762 1 10.23 ? CA ALA A 234 1 -ATOM 1760 C C . ALA A 1 234 . 3.829 54.471 58.193 1 9.2 ? C ALA A 234 1 -ATOM 1761 O O . ALA A 1 234 . 2.994 54.737 57.345 1 8.66 ? O ALA A 234 1 -ATOM 1762 C CB . ALA A 1 234 . 5.389 56.299 57.601 1 9.92 ? CB ALA A 234 1 -ATOM 1763 N N . SER A 1 235 . 4.009 53.214 58.584 1 9.85 ? N SER A 235 1 -ATOM 1764 C CA . SER A 1 235 . 3.125 52.24 57.963 1 8.55 ? CA SER A 235 1 -ATOM 1765 C C . SER A 1 235 . 2.925 51.041 58.838 1 11.23 ? C SER A 235 1 -ATOM 1766 O O . SER A 1 235 . 3.702 50.831 59.755 1 14.24 ? O SER A 235 1 -ATOM 1767 C CB . SER A 1 235 . 3.689 51.813 56.616 1 9.56 ? CB SER A 235 1 -ATOM 1768 O OG . SER A 1 235 . 5.031 51.343 56.756 1 11.78 ? OG SER A 235 1 -ATOM 1769 N N . VAL A 1 236 . 1.875 50.263 58.594 1 12.67 ? N VAL A 236 1 -ATOM 1770 C CA . VAL A 1 236 . 1.665 49.054 59.377 1 12.89 ? CA VAL A 236 1 -ATOM 1771 C C . VAL A 1 236 . 1.203 47.98 58.41 1 14.64 ? C VAL A 236 1 -ATOM 1772 O O . VAL A 1 236 . 0.77 48.25 57.299 1 18.52 ? O VAL A 236 1 -ATOM 1773 C CB . VAL A 1 236 . 0.694 49.23 60.562 1 13.36 ? CB VAL A 236 1 -ATOM 1774 C CG1 . VAL A 1 236 . 1.252 50.234 61.568 1 9.32 ? CG1 VAL A 236 1 -ATOM 1775 C CG2 . VAL A 1 236 . -0.759 49.575 60.164 1 12.44 ? CG2 VAL A 236 1 -ATOM 1776 N N . SER A 1 237 . 1.28 46.733 58.829 1 11.99 ? N SER A 237 1 -ATOM 1777 C CA . SER A 1 237 . 0.841 45.682 57.934 1 14.87 ? CA SER A 237 1 -ATOM 1778 C C . SER A 1 237 . -0.664 45.589 58.008 1 16.44 ? C SER A 237 1 -ATOM 1779 O O . SER A 1 237 . -1.283 46.134 58.916 1 17.84 ? O SER A 237 1 -ATOM 1780 C CB . SER A 1 237 . 1.473 44.359 58.355 1 20.46 ? CB SER A 237 1 -ATOM 1781 O OG . SER A 1 237 . 1.233 44.181 59.749 1 31.59 ? OG SER A 237 1 -ATOM 1782 N N . VAL A 1 238 . -1.261 44.849 57.074 1 16.3 ? N VAL A 238 1 -ATOM 1783 C CA . VAL A 1 238 . -2.705 44.76 57.161 1 17.07 ? CA VAL A 238 1 -ATOM 1784 C C . VAL A 1 238 . -3.148 44.105 58.431 1 17.3 ? C VAL A 238 1 -ATOM 1785 O O . VAL A 1 238 . -4.183 44.417 59.005 1 20.67 ? O VAL A 238 1 -ATOM 1786 C CB . VAL A 1 238 . -3.267 44.082 55.922 1 13.86 ? CB VAL A 238 1 -ATOM 1787 C CG1 . VAL A 1 238 . -3.019 44.988 54.718 1 21.79 ? CG1 VAL A 238 1 -ATOM 1788 C CG2 . VAL A 1 238 . -2.649 42.709 55.657 1 20.71 ? CG2 VAL A 238 1 -ATOM 1789 N N . ALA A 1 239 . -2.299 43.184 58.874 1 16.88 ? N ALA A 239 1 -ATOM 1790 C CA . ALA A 1 239 . -2.651 42.491 60.097 1 19.71 ? CA ALA A 239 1 -ATOM 1791 C C . ALA A 1 239 . -2.739 43.451 61.258 1 22.34 ? C ALA A 239 1 -ATOM 1792 O O . ALA A 1 239 . -3.704 43.48 62.01 1 24.99 ? O ALA A 239 1 -ATOM 1793 C CB . ALA A 1 239 . -1.629 41.4 60.402 1 20.58 ? CB ALA A 239 1 -ATOM 1794 N N . GLU A 1 240 . -1.687 44.271 61.369 1 21.45 ? N GLU A 240 1 -ATOM 1795 C CA . GLU A 1 240 . -1.68 45.231 62.462 1 20.5 ? CA GLU A 240 1 -ATOM 1796 C C . GLU A 1 240 . -2.828 46.188 62.386 1 19.54 ? C GLU A 240 1 -ATOM 1797 O O . GLU A 1 240 . -3.458 46.502 63.378 1 22.06 ? O GLU A 240 1 -ATOM 1798 C CB . GLU A 1 240 . -0.36 46.019 62.554 1 23.57 ? CB GLU A 240 1 -ATOM 1799 C CG . GLU A 1 240 . 0.418 45.679 63.843 1 30.3 ? CG GLU A 240 1 -ATOM 1800 C CD . GLU A 1 240 . -0.134 46.401 65.072 1 27.07 ? CD GLU A 240 1 -ATOM 1801 O OE1 . GLU A 1 240 . -1.308 46.735 65.099 1 26.76 ? OE1 GLU A 240 1 -ATOM 1802 O OE2 . GLU A 1 240 . 0.622 46.643 65.998 1 28.68 ? OE2 GLU A 240 1 -ATOM 1803 N N . GLY A 1 241 . -3.095 46.672 61.187 1 19.6 ? N GLY A 241 1 -ATOM 1804 C CA . GLY A 1 241 . -4.201 47.607 61.081 1 17.71 ? CA GLY A 241 1 -ATOM 1805 C C . GLY A 1 241 . -5.484 46.963 61.526 1 16.81 ? C GLY A 241 1 -ATOM 1806 O O . GLY A 1 241 . -6.326 47.575 62.165 1 17.07 ? O GLY A 241 1 -ATOM 1807 N N . ARG A 1 242 . -5.615 45.674 61.211 1 18.59 ? N ARG A 242 1 -ATOM 1808 C CA . ARG A 1 242 . -6.839 45.009 61.63 1 21.59 ? CA ARG A 242 1 -ATOM 1809 C C . ARG A 1 242 . -6.91 44.993 63.144 1 22.77 ? C ARG A 242 1 -ATOM 1810 O O . ARG A 1 242 . -7.902 45.334 63.782 1 24.72 ? O ARG A 242 1 -ATOM 1811 C CB . ARG A 1 242 . -6.885 43.591 61.054 1 20.14 ? CB ARG A 242 1 -ATOM 1812 C CG . ARG A 1 242 . -8.24 42.915 61.291 1 27.41 ? CG ARG A 242 1 -ATOM 1813 C CD . ARG A 1 242 . -8.448 41.677 60.402 1 32.04 ? CD ARG A 242 1 -ATOM 1814 N NE . ARG A 1 242 . -8.83 42.067 59.05 1 38.93 ? NE ARG A 242 1 -ATOM 1815 C CZ . ARG A 1 242 . -10.099 42.372 58.735 1 42.03 ? CZ ARG A 242 1 -ATOM 1816 N NH1 . ARG A 1 242 . -11.063 42.318 59.65 1 41.27 ? NH1 ARG A 242 1 -ATOM 1817 N NH2 . ARG A 1 242 . -10.4 42.719 57.484 1 48.9 ? NH2 ARG A 242 1 -ATOM 1818 N N . ARG A 1 243 . -5.778 44.583 63.707 1 21.15 ? N ARG A 243 1 -ATOM 1819 C CA . ARG A 1 243 . -5.649 44.508 65.137 1 19.68 ? CA ARG A 243 1 -ATOM 1820 C C . ARG A 1 243 . -6.085 45.804 65.811 1 20.18 ? C ARG A 243 1 -ATOM 1821 O O . ARG A 1 243 . -6.945 45.824 66.687 1 22.86 ? O ARG A 243 1 -ATOM 1822 C CB . ARG A 1 243 . -4.203 44.175 65.49 1 25.56 ? CB ARG A 243 1 -ATOM 1823 C CG . ARG A 1 243 . -4.106 43.158 66.634 1 39.24 ? CG ARG A 243 1 -ATOM 1824 C CD . ARG A 1 243 . -2.964 43.359 67.672 1 50.63 ? CD ARG A 243 1 -ATOM 1825 N NE . ARG A 1 243 . -2.293 44.668 67.651 1 52.71 ? NE ARG A 243 1 -ATOM 1826 C CZ . ARG A 1 243 . -2.663 45.754 68.373 1 54.11 ? CZ ARG A 243 1 -ATOM 1827 N NH1 . ARG A 1 243 . -3.759 45.769 69.142 1 53.49 ? NH1 ARG A 243 1 -ATOM 1828 N NH2 . ARG A 1 243 . -1.899 46.844 68.331 1 52.99 ? NH2 ARG A 243 1 -ATOM 1829 N N . ARG A 1 244 . -5.476 46.905 65.381 1 14.29 ? N ARG A 244 1 -ATOM 1830 C CA . ARG A 1 244 . -5.837 48.182 65.98 1 13.22 ? CA ARG A 244 1 -ATOM 1831 C C . ARG A 1 244 . -7.269 48.582 65.667 1 18.25 ? C ARG A 244 1 -ATOM 1832 O O . ARG A 1 244 . -7.947 49.238 66.45 1 22.33 ? O ARG A 244 1 -ATOM 1833 C CB . ARG A 1 244 . -4.915 49.321 65.515 1 8.69 ? CB ARG A 244 1 -ATOM 1834 C CG . ARG A 1 244 . -3.44 48.987 65.728 1 3.14 ? CG ARG A 244 1 -ATOM 1835 C CD . ARG A 1 244 . -2.461 50.102 65.352 1 2 ? CD ARG A 244 1 -ATOM 1836 N NE . ARG A 1 244 . -1.132 49.595 65.636 1 2 ? NE ARG A 244 1 -ATOM 1837 C CZ . ARG A 1 244 . -0.019 50.311 65.467 1 4.07 ? CZ ARG A 244 1 -ATOM 1838 N NH1 . ARG A 1 244 . -0.037 51.595 65.109 1 3.12 ? NH1 ARG A 244 1 -ATOM 1839 N NH2 . ARG A 1 244 . 1.148 49.721 65.664 1 3.18 ? NH2 ARG A 244 1 -ATOM 1840 N N . ALA A 1 245 . -7.734 48.17 64.494 1 19.86 ? N ALA A 245 1 -ATOM 1841 C CA . ALA A 1 245 . -9.075 48.541 64.107 1 18.78 ? CA ALA A 245 1 -ATOM 1842 C C . ALA A 1 245 . -10.095 47.949 65.022 1 20.84 ? C ALA A 245 1 -ATOM 1843 O O . ALA A 1 245 . -11.067 48.583 65.403 1 21.84 ? O ALA A 245 1 -ATOM 1844 C CB . ALA A 1 245 . -9.343 48.07 62.679 1 21.74 ? CB ALA A 245 1 -ATOM 1845 N N . VAL A 1 246 . -9.839 46.699 65.386 1 22.44 ? N VAL A 246 1 -ATOM 1846 C CA . VAL A 1 246 . -10.754 45.975 66.263 1 25.15 ? CA VAL A 246 1 -ATOM 1847 C C . VAL A 1 246 . -10.609 46.438 67.693 1 25.86 ? C VAL A 246 1 -ATOM 1848 O O . VAL A 1 246 . -11.558 46.574 68.455 1 26.45 ? O VAL A 246 1 -ATOM 1849 C CB . VAL A 1 246 . -10.494 44.47 66.075 1 23.34 ? CB VAL A 246 1 -ATOM 1850 C CG1 . VAL A 1 246 . -10.293 43.644 67.35 1 23.96 ? CG1 VAL A 246 1 -ATOM 1851 C CG2 . VAL A 1 246 . -11.575 43.874 65.168 1 29.5 ? CG2 VAL A 246 1 -ATOM 1852 N N . GLU A 1 247 . -9.357 46.691 68.063 1 28.05 ? N GLU A 247 1 -ATOM 1853 C CA . GLU A 1 247 . -9.075 47.151 69.409 1 23.29 ? CA GLU A 247 1 -ATOM 1854 C C . GLU A 1 247 . -9.797 48.444 69.684 1 19.74 ? C GLU A 247 1 -ATOM 1855 O O . GLU A 1 247 . -10.273 48.697 70.782 1 22.4 ? O GLU A 247 1 -ATOM 1856 C CB . GLU A 1 247 . -7.564 47.278 69.601 1 28.4 ? CB GLU A 247 1 -ATOM 1857 C CG . GLU A 1 247 . -7.144 47.345 71.067 1 40.09 ? CG GLU A 247 1 -ATOM 1858 C CD . GLU A 1 247 . -7.638 46.115 71.815 1 46.37 ? CD GLU A 247 1 -ATOM 1859 O OE1 . GLU A 1 247 . -7.74 45.049 71.196 1 45.76 ? OE1 GLU A 247 1 -ATOM 1860 O OE2 . GLU A 1 247 . -7.933 46.237 73.007 1 52.56 ? OE2 GLU A 247 1 -ATOM 1861 N N . LEU A 1 248 . -9.884 49.267 68.644 1 17.77 ? N LEU A 248 1 -ATOM 1862 C CA . LEU A 1 248 . -10.612 50.516 68.796 1 16.07 ? CA LEU A 248 1 -ATOM 1863 C C . LEU A 1 248 . -12.057 50.175 69.038 1 16.1 ? C LEU A 248 1 -ATOM 1864 O O . LEU A 1 248 . -12.733 50.697 69.906 1 18.19 ? O LEU A 248 1 -ATOM 1865 C CB . LEU A 1 248 . -10.54 51.368 67.524 1 13.23 ? CB LEU A 248 1 -ATOM 1866 C CG . LEU A 1 248 . -11.058 52.795 67.764 1 12.13 ? CG LEU A 248 1 -ATOM 1867 C CD1 . LEU A 1 248 . -10.051 53.618 68.579 1 21.34 ? CD1 LEU A 248 1 -ATOM 1868 C CD2 . LEU A 1 248 . -11.36 53.513 66.456 1 10.06 ? CD2 LEU A 248 1 -ATOM 1869 N N . GLY A 1 249 . -12.517 49.22 68.249 1 17.29 ? N GLY A 249 1 -ATOM 1870 C CA . GLY A 1 249 . -13.888 48.784 68.363 1 18.58 ? CA GLY A 249 1 -ATOM 1871 C C . GLY A 1 249 . -14.254 48.364 69.75 1 21.46 ? C GLY A 249 1 -ATOM 1872 O O . GLY A 1 249 . -15.311 48.718 70.259 1 19.7 ? O GLY A 249 1 -ATOM 1873 N N . ARG A 1 250 . -13.353 47.612 70.389 1 24.6 ? N ARG A 250 1 -ATOM 1874 C CA . ARG A 1 250 . -13.712 47.195 71.734 1 29.78 ? CA ARG A 250 1 -ATOM 1875 C C . ARG A 1 250 . -13.672 48.348 72.707 1 28.84 ? C ARG A 250 1 -ATOM 1876 O O . ARG A 1 250 . -14.412 48.351 73.672 1 32.85 ? O ARG A 250 1 -ATOM 1877 C CB . ARG A 1 250 . -13 45.921 72.197 1 31.65 ? CB ARG A 250 1 -ATOM 1878 C CG . ARG A 1 250 . -11.564 46.095 72.694 1 38.32 ? CG ARG A 250 1 -ATOM 1879 C CD . ARG A 1 250 . -10.716 44.826 72.51 1 42.1 ? CD ARG A 250 1 -ATOM 1880 N NE . ARG A 1 250 . -11.511 43.603 72.529 1 47.16 ? NE ARG A 250 1 -ATOM 1881 C CZ . ARG A 1 250 . -11.06 42.488 71.919 1 52.25 ? CZ ARG A 250 1 -ATOM 1882 N NH1 . ARG A 1 250 . -9.846 42.455 71.36 1 51.05 ? NH1 ARG A 250 1 -ATOM 1883 N NH2 . ARG A 1 250 . -11.833 41.398 71.868 1 54.19 ? NH2 ARG A 250 1 -ATOM 1884 N N . ASN A 1 251 . -12.838 49.354 72.455 1 27.17 ? N ASN A 251 1 -ATOM 1885 C CA . ASN A 1 251 . -12.85 50.482 73.4 1 27.75 ? CA ASN A 251 1 -ATOM 1886 C C . ASN A 1 251 . -14.185 51.219 73.329 1 24.12 ? C ASN A 251 1 -ATOM 1887 O O . ASN A 1 251 . -14.548 51.915 74.259 1 23.52 ? O ASN A 251 1 -ATOM 1888 C CB . ASN A 1 251 . -11.711 51.511 73.204 1 32.09 ? CB ASN A 251 1 -ATOM 1889 C CG . ASN A 1 251 . -10.356 51.085 73.755 1 34.22 ? CG ASN A 251 1 -ATOM 1890 O OD1 . ASN A 1 251 . -9.71 51.814 74.491 1 37.29 ? OD1 ASN A 251 1 -ATOM 1891 N ND2 . ASN A 1 251 . -9.902 49.886 73.399 1 34.04 ? ND2 ASN A 251 1 -ATOM 1892 N N . LEU A 1 252 . -14.909 51.094 72.209 1 24.55 ? N LEU A 252 1 -ATOM 1893 C CA . LEU A 1 252 . -16.217 51.752 72.133 1 25.74 ? CA LEU A 252 1 -ATOM 1894 C C . LEU A 1 252 . -17.323 50.719 72.346 1 26.48 ? C LEU A 252 1 -ATOM 1895 O O . LEU A 1 252 . -18.519 50.958 72.198 1 23.35 ? O LEU A 252 1 -ATOM 1896 C CB . LEU A 1 252 . -16.488 52.49 70.818 1 25.9 ? CB LEU A 252 1 -ATOM 1897 C CG . LEU A 1 252 . -15.578 53.685 70.503 1 28.99 ? CG LEU A 252 1 -ATOM 1898 C CD1 . LEU A 1 252 . -15.508 54.707 71.638 1 28.34 ? CD1 LEU A 252 1 -ATOM 1899 C CD2 . LEU A 1 252 . -14.181 53.256 70.045 1 33.43 ? CD2 LEU A 252 1 -ATOM 1900 N N . ASN A 1 253 . -16.888 49.519 72.719 1 30.95 ? N ASN A 253 1 -ATOM 1901 C CA . ASN A 1 253 . -17.778 48.392 72.987 1 36.81 ? CA ASN A 253 1 -ATOM 1902 C C . ASN A 1 253 . -18.655 48.03 71.804 1 34.3 ? C ASN A 253 1 -ATOM 1903 O O . ASN A 1 253 . -19.84 47.745 71.914 1 31.53 ? O ASN A 253 1 -ATOM 1904 C CB . ASN A 1 253 . -18.562 48.511 74.327 1 41.04 ? CB ASN A 253 1 -ATOM 1905 C CG . ASN A 1 253 . -19.823 49.371 74.216 1 46.22 ? CG ASN A 253 1 -ATOM 1906 N N . CYS A 1 254 . -18.026 48.082 70.65 1 35.23 ? N CYS A 254 1 -ATOM 1907 C CA . CYS A 1 254 . -18.746 47.74 69.444 1 36.37 ? CA CYS A 254 1 -ATOM 1908 C C . CYS A 1 254 . -18.806 46.251 69.356 1 40.41 ? C CYS A 254 1 -ATOM 1909 O O . CYS A 1 254 . -17.977 45.558 69.928 1 42.26 ? O CYS A 254 1 -ATOM 1910 C CB . CYS A 1 254 . -17.968 48.234 68.238 1 29.99 ? CB CYS A 254 1 -ATOM 1911 S SG . CYS A 1 254 . -18.232 49.996 68.077 1 22.76 ? SG CYS A 254 1 -ATOM 1912 N N . ASN A 1 255 . -19.809 45.776 68.607 1 40.92 ? N ASN A 255 1 -ATOM 1913 C CA . ASN A 1 255 . -19.98 44.344 68.396 1 40.55 ? CA ASN A 255 1 -ATOM 1914 C C . ASN A 1 255 . -18.837 43.974 67.487 1 39.35 ? C ASN A 255 1 -ATOM 1915 O O . ASN A 1 255 . -18.743 44.576 66.427 1 38.2 ? O ASN A 255 1 -ATOM 1916 C CB . ASN A 1 255 . -21.341 44.116 67.707 1 42.22 ? CB ASN A 255 1 -ATOM 1917 C CG . ASN A 1 255 . -21.585 42.672 67.309 1 42.69 ? CG ASN A 255 1 -ATOM 1918 O OD1 . ASN A 1 255 . -20.725 41.998 66.773 1 44.86 ? OD1 ASN A 255 1 -ATOM 1919 N ND2 . ASN A 1 255 . -22.792 42.19 67.567 1 44.25 ? ND2 ASN A 255 1 -ATOM 1920 N N . LEU A 1 256 . -17.98 43.038 67.899 1 39.51 ? N LEU A 256 1 -ATOM 1921 C CA . LEU A 1 256 . -16.841 42.692 67.051 1 42.33 ? CA LEU A 256 1 -ATOM 1922 C C . LEU A 1 256 . -16.977 41.364 66.324 1 44.21 ? C LEU A 256 1 -ATOM 1923 O O . LEU A 1 256 . -15.986 40.706 66.026 1 47.32 ? O LEU A 256 1 -ATOM 1924 C CB . LEU A 1 256 . -15.527 42.636 67.853 1 43.59 ? CB LEU A 256 1 -ATOM 1925 C CG . LEU A 1 256 . -15.167 43.899 68.662 1 47.1 ? CG LEU A 256 1 -ATOM 1926 C CD1 . LEU A 1 256 . -15.667 43.837 70.112 1 50.25 ? CD1 LEU A 256 1 -ATOM 1927 C CD2 . LEU A 1 256 . -13.648 44.085 68.684 1 49.35 ? CD2 LEU A 256 1 -ATOM 1928 N N . ASN A 1 257 . -18.209 40.954 66.04 1 44.93 ? N ASN A 257 1 -ATOM 1929 C CA . ASN A 1 257 . -18.446 39.689 65.349 1 45.58 ? CA ASN A 257 1 -ATOM 1930 C C . ASN A 1 257 . -18.19 39.77 63.848 1 45.23 ? C ASN A 257 1 -ATOM 1931 O O . ASN A 1 257 . -18.074 38.772 63.153 1 44.48 ? O ASN A 257 1 -ATOM 1932 C CB . ASN A 1 257 . -19.885 39.22 65.621 1 47.18 ? CB ASN A 257 1 -ATOM 1933 N N . SER A 1 258 . -18.108 40.983 63.317 1 47.53 ? N SER A 258 1 -ATOM 1934 C CA . SER A 1 258 . -17.875 41.086 61.879 1 46.62 ? CA SER A 258 1 -ATOM 1935 C C . SER A 1 258 . -17.447 42.492 61.525 1 45.93 ? C SER A 258 1 -ATOM 1936 O O . SER A 1 258 . -17.716 43.454 62.239 1 45.45 ? O SER A 258 1 -ATOM 1937 C CB . SER A 1 258 . -19.177 40.743 61.13 1 48.28 ? CB SER A 258 1 -ATOM 1938 O OG . SER A 1 258 . -20.272 41.439 61.741 1 49.1 ? OG SER A 258 1 -ATOM 1939 N N . ASP A 1 259 . -16.807 42.611 60.356 1 43.15 ? N ASP A 259 1 -ATOM 1940 C CA . ASP A 1 259 . -16.392 43.96 59.967 1 39.16 ? CA ASP A 259 1 -ATOM 1941 C C . ASP A 1 259 . -17.603 44.839 59.743 1 36.02 ? C ASP A 259 1 -ATOM 1942 O O . ASP A 1 259 . -17.582 46.03 59.962 1 34.56 ? O ASP A 259 1 -ATOM 1943 C CB . ASP A 1 259 . -15.51 44.013 58.702 1 37.85 ? CB ASP A 259 1 -ATOM 1944 C CG . ASP A 1 259 . -14.228 43.207 58.821 1 39.63 ? CG ASP A 259 1 -ATOM 1945 O OD1 . ASP A 1 259 . -13.947 42.697 59.903 1 42.63 ? OD1 ASP A 259 1 -ATOM 1946 O OD2 . ASP A 1 259 . -13.511 43.092 57.827 1 40.96 ? OD2 ASP A 259 1 -ATOM 1947 N N . GLU A 1 260 . -18.687 44.211 59.313 1 34.31 ? N GLU A 260 1 -ATOM 1948 C CA . GLU A 1 260 . -19.893 44.978 59.06 1 34.44 ? CA GLU A 260 1 -ATOM 1949 C C . GLU A 1 260 . -20.438 45.628 60.31 1 34.84 ? C GLU A 260 1 -ATOM 1950 O O . GLU A 1 260 . -20.857 46.782 60.338 1 32.9 ? O GLU A 260 1 -ATOM 1951 C CB . GLU A 1 260 . -20.997 44.034 58.553 1 35.01 ? CB GLU A 260 1 -ATOM 1952 N N . GLU A 1 261 . -20.432 44.797 61.367 1 34.19 ? N GLU A 261 1 -ATOM 1953 C CA . GLU A 1 261 . -20.95 45.244 62.649 1 32 ? CA GLU A 261 1 -ATOM 1954 C C . GLU A 1 261 . -20.023 46.281 63.25 1 31.67 ? C GLU A 261 1 -ATOM 1955 O O . GLU A 1 261 . -20.417 47.345 63.73 1 31.79 ? O GLU A 261 1 -ATOM 1956 C CB . GLU A 1 261 . -21.191 44.038 63.594 1 35.52 ? CB GLU A 261 1 -ATOM 1957 C CG . GLU A 1 261 . -22.578 43.336 63.399 1 32.88 ? CG GLU A 261 1 -ATOM 1958 N N . LEU A 1 262 . -18.747 45.931 63.201 1 27.26 ? N LEU A 262 1 -ATOM 1959 C CA . LEU A 1 262 . -17.738 46.803 63.731 1 23.27 ? CA LEU A 262 1 -ATOM 1960 C C . LEU A 1 262 . -17.801 48.161 63.07 1 25.58 ? C LEU A 262 1 -ATOM 1961 O O . LEU A 1 262 . -17.867 49.203 63.706 1 29.63 ? O LEU A 262 1 -ATOM 1962 C CB . LEU A 1 262 . -16.39 46.126 63.49 1 23.67 ? CB LEU A 262 1 -ATOM 1963 C CG . LEU A 1 262 . -15.172 46.989 63.827 1 24.34 ? CG LEU A 262 1 -ATOM 1964 C CD1 . LEU A 1 262 . -15.243 47.536 65.25 1 31.17 ? CD1 LEU A 262 1 -ATOM 1965 C CD2 . LEU A 1 262 . -13.881 46.193 63.629 1 25.63 ? CD2 LEU A 262 1 -ATOM 1966 N N . ILE A 1 263 . -17.818 48.13 61.749 1 25.88 ? N ILE A 263 1 -ATOM 1967 C CA . ILE A 1 263 . -17.847 49.358 60.975 1 28.49 ? CA ILE A 263 1 -ATOM 1968 C C . ILE A 1 263 . -19.124 50.128 61.189 1 31.31 ? C ILE A 263 1 -ATOM 1969 O O . ILE A 1 263 . -19.069 51.329 61.404 1 33.92 ? O ILE A 263 1 -ATOM 1970 C CB . ILE A 1 263 . -17.535 49.065 59.487 1 24.74 ? CB ILE A 263 1 -ATOM 1971 C CG1 . ILE A 1 263 . -16.059 48.644 59.363 1 22.96 ? CG1 ILE A 263 1 -ATOM 1972 C CG2 . ILE A 1 263 . -17.839 50.236 58.544 1 19.49 ? CG2 ILE A 263 1 -ATOM 1973 C CD1 . ILE A 1 263 . -15.716 48.015 58.015 1 19.48 ? CD1 ILE A 263 1 -ATOM 1974 N N . HIS A 1 264 . -20.278 49.455 61.149 1 33.61 ? N HIS A 264 1 -ATOM 1975 C CA . HIS A 1 264 . -21.518 50.205 61.354 1 38.39 ? CA HIS A 264 1 -ATOM 1976 C C . HIS A 1 264 . -21.444 50.922 62.677 1 37.97 ? C HIS A 264 1 -ATOM 1977 O O . HIS A 1 264 . -21.759 52.098 62.833 1 40.86 ? O HIS A 264 1 -ATOM 1978 C CB . HIS A 1 264 . -22.772 49.289 61.292 1 48.98 ? CB HIS A 264 1 -ATOM 1979 C CG . HIS A 1 264 . -23.998 49.912 61.975 1 61.06 ? CG HIS A 264 1 -ATOM 1980 N ND1 . HIS A 1 264 . -24.607 51.064 61.597 1 64.46 ? ND1 HIS A 264 1 -ATOM 1981 C CD2 . HIS A 1 264 . -24.674 49.438 63.133 1 65.12 ? CD2 HIS A 264 1 -ATOM 1982 C CE1 . HIS A 1 264 . -25.606 51.285 62.475 1 66.51 ? CE1 HIS A 264 1 -ATOM 1983 N NE2 . HIS A 1 264 . -25.661 50.319 63.41 1 67.54 ? NE2 HIS A 264 1 -ATOM 1984 N N . CYS A 1 265 . -20.976 50.147 63.64 1 32.83 ? N CYS A 265 1 -ATOM 1985 C CA . CYS A 1 265 . -20.856 50.683 64.969 1 29.03 ? CA CYS A 265 1 -ATOM 1986 C C . CYS A 1 265 . -20.017 51.947 64.991 1 27.28 ? C CYS A 265 1 -ATOM 1987 O O . CYS A 1 265 . -20.428 53.001 65.464 1 30.45 ? O CYS A 265 1 -ATOM 1988 C CB . CYS A 1 265 . -20.271 49.584 65.84 1 29.44 ? CB CYS A 265 1 -ATOM 1989 S SG . CYS A 1 265 . -20.203 50.034 67.584 1 30.11 ? SG CYS A 265 1 -ATOM 1990 N N . LEU A 1 266 . -18.829 51.837 64.402 1 22.45 ? N LEU A 266 1 -ATOM 1991 C CA . LEU A 1 266 . -17.952 52.988 64.39 1 20.17 ? CA LEU A 266 1 -ATOM 1992 C C . LEU A 1 266 . -18.529 54.142 63.596 1 21.08 ? C LEU A 266 1 -ATOM 1993 O O . LEU A 1 266 . -18.179 55.288 63.818 1 22.26 ? O LEU A 266 1 -ATOM 1994 C CB . LEU A 1 266 . -16.566 52.593 63.86 1 13.8 ? CB LEU A 266 1 -ATOM 1995 C CG . LEU A 1 266 . -15.856 51.541 64.743 1 9.35 ? CG LEU A 266 1 -ATOM 1996 C CD1 . LEU A 1 266 . -14.74 50.835 63.993 1 6.6 ? CD1 LEU A 266 1 -ATOM 1997 C CD2 . LEU A 1 266 . -15.281 52.153 66.026 1 11.99 ? CD2 LEU A 266 1 -ATOM 1998 N N . ARG A 1 267 . -19.415 53.842 62.651 1 25.36 ? N ARG A 267 1 -ATOM 1999 C CA . ARG A 1 267 . -19.995 54.917 61.85 1 28.09 ? CA ARG A 267 1 -ATOM 2000 C C . ARG A 1 267 . -21.064 55.661 62.61 1 29 ? C ARG A 267 1 -ATOM 2001 O O . ARG A 1 267 . -21.477 56.728 62.177 1 30.66 ? O ARG A 267 1 -ATOM 2002 C CB . ARG A 1 267 . -20.549 54.436 60.474 1 29.47 ? CB ARG A 267 1 -ATOM 2003 C CG . ARG A 1 267 . -19.486 53.801 59.531 1 29.74 ? CG ARG A 267 1 -ATOM 2004 C CD . ARG A 1 267 . -19.493 54.271 58.048 1 31.57 ? CD ARG A 267 1 -ATOM 2005 N NE . ARG A 1 267 . -20.047 53.252 57.148 1 29.99 ? NE ARG A 267 1 -ATOM 2006 C CZ . ARG A 1 267 . -19.349 52.606 56.184 1 29.62 ? CZ ARG A 267 1 -ATOM 2007 N NH1 . ARG A 1 267 . -18.071 52.858 55.912 1 21.41 ? NH1 ARG A 267 1 -ATOM 2008 N NH2 . ARG A 1 267 . -19.958 51.667 55.468 1 32.91 ? NH2 ARG A 267 1 -ATOM 2009 N N . GLU A 1 268 . -21.536 55.071 63.718 1 30.51 ? N GLU A 268 1 -ATOM 2010 C CA . GLU A 1 268 . -22.578 55.737 64.515 1 31.71 ? CA GLU A 268 1 -ATOM 2011 C C . GLU A 1 268 . -21.981 56.554 65.625 1 32.42 ? C GLU A 268 1 -ATOM 2012 O O . GLU A 1 268 . -22.645 57.4 66.212 1 36.23 ? O GLU A 268 1 -ATOM 2013 C CB . GLU A 1 268 . -23.553 54.751 65.201 1 32.99 ? CB GLU A 268 1 -ATOM 2014 C CG . GLU A 1 268 . -24.478 53.994 64.216 1 40.92 ? CG GLU A 268 1 -ATOM 2015 N N . LYS A 1 269 . -20.727 56.248 65.966 1 30.23 ? N LYS A 269 1 -ATOM 2016 C CA . LYS A 1 269 . -20.136 57.002 67.048 1 28.67 ? CA LYS A 269 1 -ATOM 2017 C C . LYS A 1 269 . -19.852 58.419 66.608 1 27.17 ? C LYS A 269 1 -ATOM 2018 O O . LYS A 1 269 . -19.518 58.714 65.474 1 28.28 ? O LYS A 269 1 -ATOM 2019 C CB . LYS A 1 269 . -18.853 56.308 67.49 1 31.35 ? CB LYS A 269 1 -ATOM 2020 C CG . LYS A 1 269 . -19.103 54.88 67.994 1 35.61 ? CG LYS A 269 1 -ATOM 2021 C CD . LYS A 1 269 . -19.619 54.834 69.447 1 42.51 ? CD LYS A 269 1 -ATOM 2022 C CE . LYS A 1 269 . -19.981 53.407 69.892 1 46.28 ? CE LYS A 269 1 -ATOM 2023 N NZ . LYS A 1 269 . -21.133 52.934 69.153 1 51.59 ? NZ LYS A 269 1 -ATOM 2024 N N . LYS A 1 270 . -19.979 59.33 67.561 1 25.86 ? N LYS A 270 1 -ATOM 2025 C CA . LYS A 1 270 . -19.709 60.724 67.236 1 25.82 ? CA LYS A 270 1 -ATOM 2026 C C . LYS A 1 270 . -18.202 60.845 67.06 1 25.56 ? C LYS A 270 1 -ATOM 2027 O O . LYS A 1 270 . -17.471 60.112 67.724 1 28.89 ? O LYS A 270 1 -ATOM 2028 C CB . LYS A 1 270 . -20.179 61.623 68.394 1 29.72 ? CB LYS A 270 1 -ATOM 2029 C CG . LYS A 1 270 . -21.486 61.133 69.055 1 34.57 ? CG LYS A 270 1 -ATOM 2030 N N . PRO A 1 271 . -17.728 61.788 66.223 1 21.99 ? N PRO A 271 1 -ATOM 2031 C CA . PRO A 1 271 . -16.312 61.825 65.882 1 19.77 ? CA PRO A 271 1 -ATOM 2032 C C . PRO A 1 271 . -15.406 61.873 67.097 1 19.51 ? C PRO A 271 1 -ATOM 2033 O O . PRO A 1 271 . -14.427 61.145 67.208 1 18.77 ? O PRO A 271 1 -ATOM 2034 C CB . PRO A 1 271 . -16.15 63.032 64.951 1 17.86 ? CB PRO A 271 1 -ATOM 2035 C CG . PRO A 1 271 . -17.502 63.772 64.96 1 19.7 ? CG PRO A 271 1 -ATOM 2036 C CD . PRO A 1 271 . -18.527 62.824 65.588 1 21.39 ? CD PRO A 271 1 -ATOM 2037 N N . GLN A 1 272 . -15.781 62.747 68.045 1 20.44 ? N GLN A 272 1 -ATOM 2038 C CA . GLN A 1 272 . -14.959 62.861 69.255 1 20.29 ? CA GLN A 272 1 -ATOM 2039 C C . GLN A 1 272 . -14.813 61.567 70.024 1 16.35 ? C GLN A 272 1 -ATOM 2040 O O . GLN A 1 272 . -13.796 61.346 70.659 1 14.98 ? O GLN A 272 1 -ATOM 2041 C CB . GLN A 1 272 . -15.424 63.988 70.206 1 25.23 ? CB GLN A 272 1 -ATOM 2042 C CG . GLN A 1 272 . -14.716 65.336 69.967 1 35.78 ? CG GLN A 272 1 -ATOM 2043 C CD . GLN A 1 272 . -13.264 65.246 70.428 1 40.78 ? CD GLN A 272 1 -ATOM 2044 O OE1 . GLN A 1 272 . -12.922 64.449 71.287 1 41.42 ? OE1 GLN A 272 1 -ATOM 2045 N NE2 . GLN A 1 272 . -12.403 66.076 69.832 1 43.62 ? NE2 GLN A 272 1 -ATOM 2046 N N . GLU A 1 273 . -15.814 60.683 69.974 1 15.06 ? N GLU A 273 1 -ATOM 2047 C CA . GLU A 1 273 . -15.616 59.448 70.732 1 16.59 ? CA GLU A 273 1 -ATOM 2048 C C . GLU A 1 273 . -14.449 58.688 70.17 1 17.35 ? C GLU A 273 1 -ATOM 2049 O O . GLU A 1 273 . -13.67 58.105 70.916 1 18.34 ? O GLU A 273 1 -ATOM 2050 C CB . GLU A 1 273 . -16.839 58.526 70.737 1 19.35 ? CB GLU A 273 1 -ATOM 2051 C CG . GLU A 1 273 . -17.982 59.089 71.591 1 26.28 ? CG GLU A 273 1 -ATOM 2052 C CD . GLU A 1 273 . -19.28 58.34 71.341 1 32.07 ? CD GLU A 273 1 -ATOM 2053 O OE1 . GLU A 1 273 . -19.991 58.685 70.392 1 31.44 ? OE1 GLU A 273 1 -ATOM 2054 O OE2 . GLU A 1 273 . -19.578 57.42 72.102 1 35.54 ? OE2 GLU A 273 1 -ATOM 2055 N N . LEU A 1 274 . -14.342 58.737 68.832 1 17.24 ? N LEU A 274 1 -ATOM 2056 C CA . LEU A 1 274 . -13.243 58.017 68.201 1 16.07 ? CA LEU A 274 1 -ATOM 2057 C C . LEU A 1 274 . -11.927 58.632 68.622 1 12.97 ? C LEU A 274 1 -ATOM 2058 O O . LEU A 1 274 . -10.984 57.957 69.004 1 16.28 ? O LEU A 274 1 -ATOM 2059 C CB . LEU A 1 274 . -13.388 57.989 66.664 1 19.09 ? CB LEU A 274 1 -ATOM 2060 C CG . LEU A 1 274 . -14.568 57.105 66.157 1 21.29 ? CG LEU A 274 1 -ATOM 2061 C CD1 . LEU A 1 274 . -15.439 57.817 65.127 1 18.9 ? CD1 LEU A 274 1 -ATOM 2062 C CD2 . LEU A 1 274 . -14.099 55.763 65.575 1 19.75 ? CD2 LEU A 274 1 -ATOM 2063 N N . ILE A 1 275 . -11.874 59.954 68.582 1 9.96 ? N ILE A 275 1 -ATOM 2064 C CA . ILE A 1 275 . -10.621 60.576 68.97 1 9.89 ? CA ILE A 275 1 -ATOM 2065 C C . ILE A 1 275 . -10.229 60.26 70.403 1 13.55 ? C ILE A 275 1 -ATOM 2066 O O . ILE A 1 275 . -9.072 59.954 70.664 1 17.07 ? O ILE A 275 1 -ATOM 2067 C CB . ILE A 1 275 . -10.652 62.094 68.769 1 11.57 ? CB ILE A 275 1 -ATOM 2068 C CG1 . ILE A 1 275 . -11.319 62.423 67.42 1 2.17 ? CG1 ILE A 275 1 -ATOM 2069 C CG2 . ILE A 1 275 . -9.236 62.708 68.908 1 9.05 ? CG2 ILE A 275 1 -ATOM 2070 C CD1 . ILE A 1 275 . -11.178 63.888 67.037 1 6.35 ? CD1 ILE A 275 1 -ATOM 2071 N N . ASP A 1 276 . -11.214 60.323 71.312 1 13.66 ? N ASP A 276 1 -ATOM 2072 C CA . ASP A 1 276 . -10.967 60.055 72.736 1 9.99 ? CA ASP A 276 1 -ATOM 2073 C C . ASP A 1 276 . -10.209 58.755 72.987 1 9.78 ? C ASP A 276 1 -ATOM 2074 O O . ASP A 1 276 . -9.256 58.728 73.749 1 15.86 ? O ASP A 276 1 -ATOM 2075 C CB . ASP A 1 276 . -12.268 60.066 73.579 1 6.67 ? CB ASP A 276 1 -ATOM 2076 C CG . ASP A 1 276 . -12.935 61.437 73.832 1 13.34 ? CG ASP A 276 1 -ATOM 2077 O OD1 . ASP A 1 276 . -12.247 62.466 73.816 1 11.05 ? OD1 ASP A 276 1 -ATOM 2078 O OD2 . ASP A 1 276 . -14.149 61.465 74.08 1 12.5 ? OD2 ASP A 276 1 -ATOM 2079 N N . VAL A 1 277 . -10.607 57.654 72.345 1 10.57 ? N VAL A 277 1 -ATOM 2080 C CA . VAL A 1 277 . -9.861 56.422 72.639 1 11.18 ? CA VAL A 277 1 -ATOM 2081 C C . VAL A 1 277 . -8.818 56.096 71.598 1 9.73 ? C VAL A 277 1 -ATOM 2082 O O . VAL A 1 277 . -8.168 55.065 71.658 1 6.66 ? O VAL A 277 1 -ATOM 2083 C CB . VAL A 1 277 . -10.844 55.258 72.819 1 12 ? CB VAL A 277 1 -ATOM 2084 C CG1 . VAL A 1 277 . -11.716 55.499 74.059 1 14.32 ? CG1 VAL A 277 1 -ATOM 2085 C CG2 . VAL A 1 277 . -11.75 55.051 71.604 1 14.63 ? CG2 VAL A 277 1 -ATOM 2086 N N . GLU A 1 278 . -8.644 56.991 70.636 1 13.19 ? N GLU A 278 1 -ATOM 2087 C CA . GLU A 1 278 . -7.692 56.76 69.568 1 15.23 ? CA GLU A 278 1 -ATOM 2088 C C . GLU A 1 278 . -6.29 56.328 70.024 1 17.91 ? C GLU A 278 1 -ATOM 2089 O O . GLU A 1 278 . -5.709 55.38 69.506 1 17.63 ? O GLU A 278 1 -ATOM 2090 C CB . GLU A 1 278 . -7.666 58.018 68.686 1 14.05 ? CB GLU A 278 1 -ATOM 2091 C CG . GLU A 1 278 . -6.897 57.868 67.363 1 22.36 ? CG GLU A 278 1 -ATOM 2092 C CD . GLU A 1 278 . -6.148 59.113 66.886 1 24.06 ? CD GLU A 278 1 -ATOM 2093 O OE1 . GLU A 1 278 . -6.613 60.233 67.11 1 17.72 ? OE1 GLU A 278 1 -ATOM 2094 O OE2 . GLU A 1 278 . -5.08 58.936 66.29 1 29.64 ? OE2 GLU A 278 1 -ATOM 2095 N N . TRP A 1 279 . -5.748 56.995 71.039 1 19.53 ? N TRP A 279 1 -ATOM 2096 C CA . TRP A 1 279 . -4.375 56.663 71.456 1 23.58 ? CA TRP A 279 1 -ATOM 2097 C C . TRP A 1 279 . -4.326 55.378 72.305 1 21.75 ? C TRP A 279 1 -ATOM 2098 O O . TRP A 1 279 . -3.27 54.887 72.685 1 20.15 ? O TRP A 279 1 -ATOM 2099 C CB . TRP A 1 279 . -3.626 57.911 72.073 1 27.83 ? CB TRP A 279 1 -ATOM 2100 C CG . TRP A 1 279 . -3.609 59.185 71.18 1 45.87 ? CG TRP A 279 1 -ATOM 2101 C CD1 . TRP A 1 279 . -4.6 59.611 70.245 1 51.14 ? CD1 TRP A 279 1 -ATOM 2102 C CD2 . TRP A 1 279 . -2.638 60.215 71.124 1 51.75 ? CD2 TRP A 279 1 -ATOM 2103 N NE1 . TRP A 1 279 . -4.32 60.787 69.652 1 49.73 ? NE1 TRP A 279 1 -ATOM 2104 C CE2 . TRP A 1 279 . -3.129 61.217 70.139 1 49.88 ? CE2 TRP A 279 1 -ATOM 2105 C CE3 . TRP A 1 279 . -1.396 60.443 71.739 1 58.48 ? CE3 TRP A 279 1 -ATOM 2106 C CZ2 . TRP A 1 279 . -2.355 62.344 69.845 1 52.53 ? CZ2 TRP A 279 1 -ATOM 2107 C CZ3 . TRP A 1 279 . -0.651 61.593 71.411 1 56.28 ? CZ3 TRP A 279 1 -ATOM 2108 C CH2 . TRP A 1 279 . -1.121 62.532 70.477 1 54.43 ? CH2 TRP A 279 1 -ATOM 2109 N N . ASN A 1 280 . -5.489 54.797 72.608 1 20.31 ? N ASN A 280 1 -ATOM 2110 C CA . ASN A 1 280 . -5.433 53.582 73.429 1 20.08 ? CA ASN A 280 1 -ATOM 2111 C C . ASN A 1 280 . -5.039 52.341 72.694 1 22.62 ? C ASN A 280 1 -ATOM 2112 O O . ASN A 1 280 . -4.46 51.425 73.248 1 26.63 ? O ASN A 280 1 -ATOM 2113 C CB . ASN A 1 280 . -6.789 53.199 74.043 1 20.19 ? CB ASN A 280 1 -ATOM 2114 C CG . ASN A 1 280 . -7.137 54.098 75.195 1 24.84 ? CG ASN A 280 1 -ATOM 2115 O OD1 . ASN A 1 280 . -6.304 54.823 75.717 1 25.2 ? OD1 ASN A 280 1 -ATOM 2116 N ND2 . ASN A 1 280 . -8.397 54.069 75.59 1 28.34 ? ND2 ASN A 280 1 -ATOM 2117 N N . VAL A 1 281 . -5.38 52.275 71.42 1 25.56 ? N VAL A 281 1 -ATOM 2118 C CA . VAL A 1 281 . -5.062 51.042 70.707 1 24.42 ? CA VAL A 281 1 -ATOM 2119 C C . VAL A 1 281 . -3.599 50.711 70.393 1 22.95 ? C VAL A 281 1 -ATOM 2120 O O . VAL A 1 281 . -3.372 49.647 69.821 1 24.23 ? O VAL A 281 1 -ATOM 2121 C CB . VAL A 1 281 . -5.906 51 69.425 1 25.83 ? CB VAL A 281 1 -ATOM 2122 C CG1 . VAL A 1 281 . -7.411 51.111 69.722 1 27.99 ? CG1 VAL A 281 1 -ATOM 2123 C CG2 . VAL A 1 281 . -5.501 52.081 68.401 1 30.18 ? CG2 VAL A 281 1 -ATOM 2124 N N . LEU A 1 282 . -2.624 51.588 70.698 1 20.87 ? N LEU A 282 1 -ATOM 2125 C CA . LEU A 1 282 . -1.259 51.173 70.351 1 23 ? CA LEU A 282 1 -ATOM 2126 C C . LEU A 1 282 . -0.893 49.88 71.054 1 27.86 ? C LEU A 282 1 -ATOM 2127 O O . LEU A 1 282 . -1.344 49.607 72.15 1 32.56 ? O LEU A 282 1 -ATOM 2128 C CB . LEU A 1 282 . -0.159 52.178 70.739 1 21.55 ? CB LEU A 282 1 -ATOM 2129 C CG . LEU A 1 282 . -0.144 53.46 69.926 1 18.06 ? CG LEU A 282 1 -ATOM 2130 C CD1 . LEU A 1 282 . 0.864 54.445 70.504 1 16.8 ? CD1 LEU A 282 1 -ATOM 2131 C CD2 . LEU A 1 282 . 0.197 53.174 68.463 1 26.92 ? CD2 LEU A 282 1 -ATOM 2132 N N . PRO A 1 283 . -0.024 49.098 70.427 1 30.7 ? N PRO A 283 1 -ATOM 2133 C CA . PRO A 1 283 . 0.402 47.861 71.049 1 32.14 ? CA PRO A 283 1 -ATOM 2134 C C . PRO A 1 283 . 1.517 48.007 72.09 1 33.95 ? C PRO A 283 1 -ATOM 2135 O O . PRO A 1 283 . 1.919 47.011 72.68 1 36.67 ? O PRO A 283 1 -ATOM 2136 C CB . PRO A 1 283 . 0.991 47.076 69.875 1 30.98 ? CB PRO A 283 1 -ATOM 2137 C CG . PRO A 1 283 . 1.456 48.15 68.884 1 33.78 ? CG PRO A 283 1 -ATOM 2138 C CD . PRO A 1 283 . 0.527 49.34 69.104 1 32 ? CD PRO A 283 1 -ATOM 2139 N N . PHE A 1 284 . 2.073 49.21 72.301 1 33.22 ? N PHE A 284 1 -ATOM 2140 C CA . PHE A 1 284 . 3.173 49.257 73.275 1 33.7 ? CA PHE A 284 1 -ATOM 2141 C C . PHE A 1 284 . 3.401 50.664 73.784 1 31.26 ? C PHE A 284 1 -ATOM 2142 O O . PHE A 1 284 . 2.904 51.64 73.25 1 35.29 ? O PHE A 284 1 -ATOM 2143 C CB . PHE A 1 284 . 4.48 48.725 72.623 1 37.6 ? CB PHE A 284 1 -ATOM 2144 C CG . PHE A 1 284 . 4.8 49.364 71.288 1 35.44 ? CG PHE A 284 1 -ATOM 2145 N N . ASP A 1 285 . 4.19 50.78 74.844 1 27.46 ? N ASP A 285 1 -ATOM 2146 C CA . ASP A 1 285 . 4.458 52.113 75.37 1 27.08 ? CA ASP A 285 1 -ATOM 2147 C C . ASP A 1 285 . 5.465 52.645 74.399 1 24.63 ? C ASP A 285 1 -ATOM 2148 O O . ASP A 1 285 . 6.459 51.963 74.202 1 23.44 ? O ASP A 285 1 -ATOM 2149 C CB . ASP A 1 285 . 5.088 52.01 76.783 1 32.77 ? CB ASP A 285 1 -ATOM 2150 C CG . ASP A 1 285 . 4.963 53.25 77.68 1 36.82 ? CG ASP A 285 1 -ATOM 2151 O OD1 . ASP A 1 285 . 4.601 54.334 77.2 1 41.07 ? OD1 ASP A 285 1 -ATOM 2152 O OD2 . ASP A 1 285 . 5.201 53.11 78.885 1 39.75 ? OD2 ASP A 285 1 -ATOM 2153 N N . SER A 1 286 . 5.244 53.807 73.796 1 22.2 ? N SER A 286 1 -ATOM 2154 C CA . SER A 1 286 . 6.287 54.187 72.865 1 20.31 ? CA SER A 286 1 -ATOM 2155 C C . SER A 1 286 . 6.19 55.639 72.579 1 20.85 ? C SER A 286 1 -ATOM 2156 O O . SER A 1 286 . 5.215 56.291 72.907 1 25.15 ? O SER A 286 1 -ATOM 2157 C CB . SER A 1 286 . 6.124 53.397 71.571 1 22.04 ? CB SER A 286 1 -ATOM 2158 N N . ILE A 1 287 . 7.231 56.149 71.957 1 20.58 ? N ILE A 287 1 -ATOM 2159 C CA . ILE A 1 287 . 7.316 57.542 71.6 1 18.81 ? CA ILE A 287 1 -ATOM 2160 C C . ILE A 1 287 . 7.566 57.539 70.101 1 23.59 ? C ILE A 287 1 -ATOM 2161 O O . ILE A 1 287 . 8.253 56.669 69.584 1 23.54 ? O ILE A 287 1 -ATOM 2162 C CB . ILE A 1 287 . 8.386 58.168 72.526 1 19.4 ? CB ILE A 287 1 -ATOM 2163 C CG1 . ILE A 1 287 . 7.674 58.758 73.738 1 26.33 ? CG1 ILE A 287 1 -ATOM 2164 C CG2 . ILE A 1 287 . 9.381 59.18 71.969 1 12.5 ? CG2 ILE A 287 1 -ATOM 2165 C CD1 . ILE A 1 287 . 6.783 59.964 73.388 1 37.57 ? CD1 ILE A 287 1 -ATOM 2166 N N . PHE A 1 288 . 6.98 58.527 69.409 1 22.61 ? N PHE A 288 1 -ATOM 2167 C CA . PHE A 1 288 . 7.142 58.613 67.965 1 18.77 ? CA PHE A 288 1 -ATOM 2168 C C . PHE A 1 288 . 6.488 57.438 67.263 1 17.49 ? C PHE A 288 1 -ATOM 2169 O O . PHE A 1 288 . 7.068 56.848 66.366 1 18.77 ? O PHE A 288 1 -ATOM 2170 C CB . PHE A 1 288 . 8.626 58.732 67.524 1 18.74 ? CB PHE A 288 1 -ATOM 2171 C CG . PHE A 1 288 . 8.842 59.709 66.391 1 20.03 ? CG PHE A 288 1 -ATOM 2172 C CD1 . PHE A 1 288 . 7.959 59.77 65.297 1 18.55 ? CD1 PHE A 288 1 -ATOM 2173 C CD2 . PHE A 1 288 . 9.937 60.591 66.439 1 20.66 ? CD2 PHE A 288 1 -ATOM 2174 C CE1 . PHE A 1 288 . 8.162 60.724 64.286 1 21.85 ? CE1 PHE A 288 1 -ATOM 2175 C CE2 . PHE A 1 288 . 10.152 61.527 65.417 1 18.68 ? CE2 PHE A 288 1 -ATOM 2176 C CZ . PHE A 1 288 . 9.258 61.601 64.342 1 18.73 ? CZ PHE A 288 1 -ATOM 2177 N N . ARG A 1 289 . 5.281 57.08 67.706 1 13.71 ? N ARG A 289 1 -ATOM 2178 C CA . ARG A 1 289 . 4.589 55.99 67.04 1 10.97 ? CA ARG A 289 1 -ATOM 2179 C C . ARG A 1 289 . 3.133 56.446 67.008 1 13.17 ? C ARG A 289 1 -ATOM 2180 O O . ARG A 1 289 . 2.672 57.044 67.976 1 15.46 ? O ARG A 289 1 -ATOM 2181 C CB . ARG A 1 289 . 4.87 54.676 67.752 1 7.32 ? CB ARG A 289 1 -ATOM 2182 C CG . ARG A 1 289 . 5.166 53.55 66.761 1 10.17 ? CG ARG A 289 1 -ATOM 2183 C CD . ARG A 1 289 . 6.592 52.986 66.804 1 8.16 ? CD ARG A 289 1 -ATOM 2184 N NE . ARG A 1 289 . 7.61 53.993 66.528 1 6.44 ? NE ARG A 289 1 -ATOM 2185 C CZ . ARG A 1 289 . 8.888 53.619 66.311 1 7.3 ? CZ ARG A 289 1 -ATOM 2186 N NH1 . ARG A 1 289 . 9.265 52.332 66.314 1 9.32 ? NH1 ARG A 289 1 -ATOM 2187 N NH2 . ARG A 1 289 . 9.799 54.549 66.1 1 2 ? NH2 ARG A 289 1 -ATOM 2188 N N . PHE A 1 290 . 2.423 56.202 65.89 1 13.8 ? N PHE A 290 1 -ATOM 2189 C CA . PHE A 1 290 . 1.03 56.669 65.753 1 7.02 ? CA PHE A 290 1 -ATOM 2190 C C . PHE A 1 290 . 0.166 55.475 65.563 1 7.77 ? C PHE A 290 1 -ATOM 2191 O O . PHE A 1 290 . 0.62 54.426 65.14 1 8.78 ? O PHE A 290 1 -ATOM 2192 C CB . PHE A 1 290 . 0.93 57.706 64.649 1 5.39 ? CB PHE A 290 1 -ATOM 2193 C CG . PHE A 1 290 . 2.049 58.697 64.835 1 6.71 ? CG PHE A 290 1 -ATOM 2194 C CD1 . PHE A 1 290 . 2.069 59.518 65.98 1 9.75 ? CD1 PHE A 290 1 -ATOM 2195 C CD2 . PHE A 1 290 . 3.094 58.785 63.908 1 5 ? CD2 PHE A 290 1 -ATOM 2196 C CE1 . PHE A 1 290 . 3.123 60.416 66.204 1 12.99 ? CE1 PHE A 290 1 -ATOM 2197 C CE2 . PHE A 1 290 . 4.152 59.683 64.134 1 15.4 ? CE2 PHE A 290 1 -ATOM 2198 C CZ . PHE A 1 290 . 4.175 60.502 65.278 1 13.61 ? CZ PHE A 290 1 -ATOM 2199 N N . SER A 1 291 . -1.106 55.638 65.857 1 8.32 ? N SER A 291 1 -ATOM 2200 C CA . SER A 1 291 . -1.972 54.462 65.823 1 16.13 ? CA SER A 291 1 -ATOM 2201 C C . SER A 1 291 . -2.512 54.045 64.482 1 17.73 ? C SER A 291 1 -ATOM 2202 O O . SER A 1 291 . -2.336 52.912 64.051 1 20.12 ? O SER A 291 1 -ATOM 2203 C CB . SER A 1 291 . -3.099 54.609 66.872 1 19.54 ? CB SER A 291 1 -ATOM 2204 O OG . SER A 1 291 . -3.357 56.01 67.071 1 33.63 ? OG SER A 291 1 -ATOM 2205 N N . PHE A 1 292 . -3.239 54.985 63.879 1 17.03 ? N PHE A 292 1 -ATOM 2206 C CA . PHE A 1 292 . -3.854 54.779 62.57 1 16.67 ? CA PHE A 292 1 -ATOM 2207 C C . PHE A 1 292 . -2.927 55.452 61.567 1 16.8 ? C PHE A 292 1 -ATOM 2208 O O . PHE A 1 292 . -2.77 56.67 61.518 1 15.5 ? O PHE A 292 1 -ATOM 2209 C CB . PHE A 1 292 . -5.27 55.372 62.539 1 17.52 ? CB PHE A 292 1 -ATOM 2210 C CG . PHE A 1 292 . -6.134 54.657 63.543 1 17.08 ? CG PHE A 292 1 -ATOM 2211 C CD1 . PHE A 1 292 . -6.5 53.322 63.309 1 15.4 ? CD1 PHE A 292 1 -ATOM 2212 C CD2 . PHE A 1 292 . -6.55 55.293 64.726 1 18.33 ? CD2 PHE A 292 1 -ATOM 2213 C CE1 . PHE A 1 292 . -7.267 52.62 64.249 1 18.53 ? CE1 PHE A 292 1 -ATOM 2214 C CE2 . PHE A 1 292 . -7.321 54.589 65.666 1 17.4 ? CE2 PHE A 292 1 -ATOM 2215 C CZ . PHE A 1 292 . -7.677 53.255 65.429 1 14.64 ? CZ PHE A 292 1 -ATOM 2216 N N . VAL A 1 293 . -2.289 54.601 60.776 1 12.34 ? N VAL A 293 1 -ATOM 2217 C CA . VAL A 1 293 . -1.336 55.08 59.827 1 8.67 ? CA VAL A 293 1 -ATOM 2218 C C . VAL A 1 293 . -1.555 54.254 58.525 1 12.18 ? C VAL A 293 1 -ATOM 2219 O O . VAL A 1 293 . -2.342 53.305 58.56 1 16.8 ? O VAL A 293 1 -ATOM 2220 C CB . VAL A 1 293 . -0.041 54.883 60.652 1 4.33 ? CB VAL A 293 1 -ATOM 2221 C CG1 . VAL A 1 293 . 0.6 53.521 60.414 1 2 ? CG1 VAL A 293 1 -ATOM 2222 C CG2 . VAL A 1 293 . 0.897 56.091 60.681 1 2 ? CG2 VAL A 293 1 -ATOM 2223 N N . PRO A 1 294 . -0.904 54.629 57.388 1 9.3 ? N PRO A 294 1 -ATOM 2224 C CA . PRO A 1 294 . -0.938 53.815 56.186 1 8.79 ? CA PRO A 294 1 -ATOM 2225 C C . PRO A 1 294 . -0.599 52.352 56.371 1 10.5 ? C PRO A 294 1 -ATOM 2226 O O . PRO A 1 294 . 0.323 51.972 57.076 1 9.56 ? O PRO A 294 1 -ATOM 2227 C CB . PRO A 1 294 . 0.094 54.478 55.268 1 6.8 ? CB PRO A 294 1 -ATOM 2228 C CG . PRO A 1 294 . 0.162 55.948 55.71 1 6.81 ? CG PRO A 294 1 -ATOM 2229 C CD . PRO A 1 294 . -0.242 55.919 57.186 1 9.07 ? CD PRO A 294 1 -ATOM 2230 N N . VAL A 1 295 . -1.359 51.52 55.684 1 11.41 ? N VAL A 295 1 -ATOM 2231 C CA . VAL A 1 295 . -1.144 50.105 55.753 1 11.66 ? CA VAL A 295 1 -ATOM 2232 C C . VAL A 1 295 . -0.563 49.626 54.426 1 11.36 ? C VAL A 295 1 -ATOM 2233 O O . VAL A 1 295 . -0.921 50.1 53.345 1 15.72 ? O VAL A 295 1 -ATOM 2234 C CB . VAL A 1 295 . -2.5 49.475 56.064 1 11.25 ? CB VAL A 295 1 -ATOM 2235 C CG1 . VAL A 1 295 . -3.536 49.665 54.957 1 11.82 ? CG1 VAL A 295 1 -ATOM 2236 C CG2 . VAL A 1 295 . -2.383 48.012 56.439 1 13.92 ? CG2 VAL A 295 1 -ATOM 2237 N N . ILE A 1 296 . 0.332 48.65 54.494 1 7.67 ? N ILE A 296 1 -ATOM 2238 C CA . ILE A 1 296 . 0.909 48.108 53.269 1 9.07 ? CA ILE A 296 1 -ATOM 2239 C C . ILE A 1 296 . -0.113 47.067 52.819 1 13.22 ? C ILE A 296 1 -ATOM 2240 O O . ILE A 1 296 . -0.081 45.901 53.17 1 16.51 ? O ILE A 296 1 -ATOM 2241 C CB . ILE A 1 296 . 2.32 47.588 53.556 1 3.19 ? CB ILE A 296 1 -ATOM 2242 C CG1 . ILE A 1 296 . 3.177 48.649 54.284 1 7.61 ? CG1 ILE A 296 1 -ATOM 2243 C CG2 . ILE A 1 296 . 3.046 47.123 52.298 1 9.21 ? CG2 ILE A 296 1 -ATOM 2244 C CD1 . ILE A 1 296 . 3.414 49.937 53.482 1 2 ? CD1 ILE A 296 1 -ATOM 2245 N N . ASP A 1 297 . -1.079 47.551 52.048 1 17.57 ? N ASP A 297 1 -ATOM 2246 C CA . ASP A 1 297 . -2.187 46.71 51.598 1 18.19 ? CA ASP A 297 1 -ATOM 2247 C C . ASP A 1 297 . -2.087 45.968 50.305 1 18.63 ? C ASP A 297 1 -ATOM 2248 O O . ASP A 1 297 . -3.04 45.291 49.965 1 20.4 ? O ASP A 297 1 -ATOM 2249 C CB . ASP A 1 297 . -3.443 47.587 51.441 1 21.53 ? CB ASP A 297 1 -ATOM 2250 C CG . ASP A 1 297 . -3.249 48.707 50.408 1 25.52 ? CG ASP A 297 1 -ATOM 2251 O OD1 . ASP A 1 297 . -2.118 48.919 49.965 1 25.27 ? OD1 ASP A 297 1 -ATOM 2252 O OD2 . ASP A 1 297 . -4.229 49.36 50.045 1 30.02 ? OD2 ASP A 297 1 -ATOM 2253 N N . GLY A 1 298 . -1.035 46.149 49.527 1 19.76 ? N GLY A 298 1 -ATOM 2254 C CA . GLY A 1 298 . -1.012 45.399 48.265 1 20.13 ? CA GLY A 298 1 -ATOM 2255 C C . GLY A 1 298 . -1.68 46.119 47.101 1 21.29 ? C GLY A 298 1 -ATOM 2256 O O . GLY A 1 298 . -1.65 45.683 45.964 1 21.74 ? O GLY A 298 1 -ATOM 2257 N N . GLU A 1 299 . -2.354 47.242 47.391 1 24.12 ? N GLU A 299 1 -ATOM 2258 C CA . GLU A 1 299 . -2.987 48.004 46.305 1 25.75 ? CA GLU A 299 1 -ATOM 2259 C C . GLU A 1 299 . -2.149 49.253 46.134 1 24.4 ? C GLU A 299 1 -ATOM 2260 O O . GLU A 1 299 . -1.33 49.372 45.239 1 26.48 ? O GLU A 299 1 -ATOM 2261 C CB . GLU A 1 299 . -4.484 48.325 46.503 1 25.83 ? CB GLU A 299 1 -ATOM 2262 C CG . GLU A 1 299 . -5.398 47.079 46.58 1 32.58 ? CG GLU A 299 1 -ATOM 2263 N N . PHE A 1 300 . -2.35 50.184 47.083 1 18.19 ? N PHE A 300 1 -ATOM 2264 C CA . PHE A 1 300 . -1.59 51.437 47.05 1 12.45 ? CA PHE A 300 1 -ATOM 2265 C C . PHE A 1 300 . -0.093 51.132 46.92 1 11.34 ? C PHE A 300 1 -ATOM 2266 O O . PHE A 1 300 . 0.658 51.681 46.131 1 13.48 ? O PHE A 300 1 -ATOM 2267 C CB . PHE A 1 300 . -1.975 52.258 48.291 1 7.9 ? CB PHE A 300 1 -ATOM 2268 C CG . PHE A 1 300 . -1.758 53.743 48.144 1 2.53 ? CG PHE A 300 1 -ATOM 2269 C CD1 . PHE A 1 300 . -0.45 54.264 48.217 1 2 ? CD1 PHE A 300 1 -ATOM 2270 C CD2 . PHE A 1 300 . -2.854 54.617 47.978 1 2 ? CD2 PHE A 300 1 -ATOM 2271 C CE1 . PHE A 1 300 . -0.238 55.646 48.138 1 2 ? CE1 PHE A 300 1 -ATOM 2272 C CE2 . PHE A 1 300 . -2.636 56.001 47.897 1 2.42 ? CE2 PHE A 300 1 -ATOM 2273 C CZ . PHE A 1 300 . -1.329 56.516 47.975 1 2 ? CZ PHE A 300 1 -ATOM 2274 N N . PHE A 1 301 . 0.338 50.182 47.74 1 13.91 ? N PHE A 301 1 -ATOM 2275 C CA . PHE A 1 301 . 1.728 49.748 47.685 1 16.4 ? CA PHE A 301 1 -ATOM 2276 C C . PHE A 1 301 . 1.552 48.355 47.154 1 17.78 ? C PHE A 301 1 -ATOM 2277 O O . PHE A 1 301 . 0.813 47.606 47.779 1 18.74 ? O PHE A 301 1 -ATOM 2278 C CB . PHE A 1 301 . 2.442 49.68 49.055 1 12.1 ? CB PHE A 301 1 -ATOM 2279 C CG . PHE A 1 301 . 2.334 50.999 49.759 1 8.05 ? CG PHE A 301 1 -ATOM 2280 C CD1 . PHE A 1 301 . 3.19 52.053 49.41 1 8.6 ? CD1 PHE A 301 1 -ATOM 2281 C CD2 . PHE A 1 301 . 1.335 51.199 50.731 1 7.13 ? CD2 PHE A 301 1 -ATOM 2282 C CE1 . PHE A 1 301 . 3.033 53.309 50.021 1 11.99 ? CE1 PHE A 301 1 -ATOM 2283 C CE2 . PHE A 1 301 . 1.18 52.448 51.337 1 7.18 ? CE2 PHE A 301 1 -ATOM 2284 C CZ . PHE A 1 301 . 2.027 53.509 50.983 1 6.39 ? CZ PHE A 301 1 -ATOM 2285 N N . PRO A 1 302 . 2.178 48.011 46.027 1 22.94 ? N PRO A 302 1 -ATOM 2286 C CA . PRO A 1 302 . 2.077 46.642 45.548 1 24.21 ? CA PRO A 302 1 -ATOM 2287 C C . PRO A 1 302 . 2.809 45.66 46.448 1 26.54 ? C PRO A 302 1 -ATOM 2288 O O . PRO A 1 302 . 2.337 44.569 46.749 1 30.3 ? O PRO A 302 1 -ATOM 2289 C CB . PRO A 1 302 . 2.681 46.708 44.135 1 22.95 ? CB PRO A 302 1 -ATOM 2290 C CG . PRO A 1 302 . 3.442 48.048 44.018 1 21.28 ? CG PRO A 302 1 -ATOM 2291 C CD . PRO A 1 302 . 2.862 48.938 45.116 1 25.04 ? CD PRO A 302 1 -ATOM 2292 N N . THR A 1 303 . 4.011 46.07 46.872 1 24.95 ? N THR A 303 1 -ATOM 2293 C CA . THR A 1 303 . 4.819 45.204 47.717 1 23.35 ? CA THR A 303 1 -ATOM 2294 C C . THR A 1 303 . 5.359 46.023 48.858 1 21.75 ? C THR A 303 1 -ATOM 2295 O O . THR A 1 303 . 5.061 47.188 49.08 1 22.57 ? O THR A 303 1 -ATOM 2296 C CB . THR A 1 303 . 5.96 44.619 46.857 1 24.02 ? CB THR A 303 1 -ATOM 2297 O OG1 . THR A 1 303 . 5.373 44.118 45.672 1 35.66 ? OG1 THR A 303 1 -ATOM 2298 C CG2 . THR A 1 303 . 6.781 43.426 47.395 1 32.95 ? CG2 THR A 303 1 -ATOM 2299 N N . SER A 1 304 . 6.179 45.353 49.634 1 19.64 ? N SER A 304 1 -ATOM 2300 C CA . SER A 1 304 . 6.777 46.036 50.737 1 22 ? CA SER A 304 1 -ATOM 2301 C C . SER A 1 304 . 7.647 47.171 50.223 1 20.4 ? C SER A 304 1 -ATOM 2302 O O . SER A 1 304 . 8.325 47.026 49.214 1 21.63 ? O SER A 304 1 -ATOM 2303 C CB . SER A 1 304 . 7.617 45.022 51.523 1 25.76 ? CB SER A 304 1 -ATOM 2304 O OG . SER A 1 304 . 8.746 44.583 50.764 1 28.88 ? OG SER A 304 1 -ATOM 2305 N N . LEU A 1 305 . 7.668 48.268 50.974 1 17.53 ? N LEU A 305 1 -ATOM 2306 C CA . LEU A 1 305 . 8.469 49.379 50.532 1 16.57 ? CA LEU A 305 1 -ATOM 2307 C C . LEU A 1 305 . 9.931 49.02 50.352 1 19.69 ? C LEU A 305 1 -ATOM 2308 O O . LEU A 1 305 . 10.656 49.623 49.579 1 24.75 ? O LEU A 305 1 -ATOM 2309 C CB . LEU A 1 305 . 8.384 50.527 51.537 1 12.69 ? CB LEU A 305 1 -ATOM 2310 C CG . LEU A 1 305 . 6.978 50.885 52.035 1 13 ? CG LEU A 305 1 -ATOM 2311 C CD1 . LEU A 1 305 . 7.04 52.244 52.743 1 15.7 ? CD1 LEU A 305 1 -ATOM 2312 C CD2 . LEU A 1 305 . 5.92 50.939 50.919 1 16.88 ? CD2 LEU A 305 1 -ATOM 2313 N N . GLU A 1 306 . 10.385 48.013 51.088 1 21.26 ? N GLU A 306 1 -ATOM 2314 C CA . GLU A 1 306 . 11.788 47.694 50.939 1 23.53 ? CA GLU A 306 1 -ATOM 2315 C C . GLU A 1 306 . 12.068 47.065 49.589 1 26.4 ? C GLU A 306 1 -ATOM 2316 O O . GLU A 1 306 . 13.099 47.362 48.988 1 26.99 ? O GLU A 306 1 -ATOM 2317 C CB . GLU A 1 306 . 12.304 46.861 52.115 1 27.54 ? CB GLU A 306 1 -ATOM 2318 C CG . GLU A 1 306 . 13.848 46.784 52.138 1 36.12 ? CG GLU A 306 1 -ATOM 2319 C CD . GLU A 1 306 . 14.553 48.135 52.349 1 42.13 ? CD GLU A 306 1 -ATOM 2320 O OE1 . GLU A 1 306 . 13.897 49.103 52.749 1 48.53 ? OE1 GLU A 306 1 -ATOM 2321 O OE2 . GLU A 1 306 . 15.763 48.207 52.113 1 41.09 ? OE2 GLU A 306 1 -ATOM 2322 N N . SER A 1 307 . 11.155 46.186 49.122 1 24.56 ? N SER A 307 1 -ATOM 2323 C CA . SER A 1 307 . 11.386 45.608 47.794 1 23.34 ? CA SER A 307 1 -ATOM 2324 C C . SER A 1 307 . 11.332 46.696 46.751 1 22.27 ? C SER A 307 1 -ATOM 2325 O O . SER A 1 307 . 12.171 46.808 45.879 1 25.5 ? O SER A 307 1 -ATOM 2326 C CB . SER A 1 307 . 10.291 44.624 47.401 1 25.32 ? CB SER A 307 1 -ATOM 2327 O OG . SER A 1 307 . 10.486 43.433 48.131 1 35.53 ? OG SER A 307 1 -ATOM 2328 N N . MET A 1 308 . 10.309 47.54 46.867 1 18.81 ? N MET A 308 1 -ATOM 2329 C CA . MET A 1 308 . 10.191 48.616 45.913 1 14.66 ? CA MET A 308 1 -ATOM 2330 C C . MET A 1 308 . 11.475 49.436 45.845 1 16.78 ? C MET A 308 1 -ATOM 2331 O O . MET A 1 308 . 12.003 49.676 44.766 1 18.54 ? O MET A 308 1 -ATOM 2332 C CB . MET A 1 308 . 8.931 49.437 46.194 1 10.18 ? CB MET A 308 1 -ATOM 2333 C CG . MET A 1 308 . 7.683 48.546 46.106 1 9.23 ? CG MET A 308 1 -ATOM 2334 S SD . MET A 1 308 . 6.168 49.53 46.289 1 18.45 ? SD MET A 308 1 -ATOM 2335 C CE . MET A 1 308 . 6.091 50.363 44.685 1 12.01 ? CE MET A 308 1 -ATOM 2336 N N . LEU A 1 309 . 11.991 49.825 47.011 1 16.99 ? N LEU A 309 1 -ATOM 2337 C CA . LEU A 1 309 . 13.222 50.592 46.993 1 17.95 ? CA LEU A 309 1 -ATOM 2338 C C . LEU A 1 309 . 14.345 49.795 46.357 1 17.65 ? C LEU A 309 1 -ATOM 2339 O O . LEU A 1 309 . 15.151 50.301 45.592 1 16.1 ? O LEU A 309 1 -ATOM 2340 C CB . LEU A 1 309 . 13.666 51.032 48.407 1 17.08 ? CB LEU A 309 1 -ATOM 2341 C CG . LEU A 1 309 . 12.687 52.013 49.072 1 19.36 ? CG LEU A 309 1 -ATOM 2342 C CD1 . LEU A 1 309 . 12.952 52.089 50.571 1 21.6 ? CD1 LEU A 309 1 -ATOM 2343 C CD2 . LEU A 1 309 . 12.728 53.417 48.462 1 21.39 ? CD2 LEU A 309 1 -ATOM 2344 N N . ASN A 1 310 . 14.386 48.511 46.68 1 21 ? N ASN A 310 1 -ATOM 2345 C CA . ASN A 1 310 . 15.469 47.696 46.131 1 24.25 ? CA ASN A 310 1 -ATOM 2346 C C . ASN A 1 310 . 15.341 47.42 44.651 1 23.67 ? C ASN A 310 1 -ATOM 2347 O O . ASN A 1 310 . 16.341 47.175 43.994 1 28.49 ? O ASN A 310 1 -ATOM 2348 C CB . ASN A 1 310 . 15.643 46.361 46.879 1 22.68 ? CB ASN A 310 1 -ATOM 2349 N N . SER A 1 311 . 14.126 47.47 44.12 1 22.33 ? N SER A 311 1 -ATOM 2350 C CA . SER A 1 311 . 13.956 47.185 42.7 1 20.64 ? CA SER A 311 1 -ATOM 2351 C C . SER A 1 311 . 13.793 48.386 41.819 1 19.56 ? C SER A 311 1 -ATOM 2352 O O . SER A 1 311 . 13.63 48.256 40.625 1 23.99 ? O SER A 311 1 -ATOM 2353 C CB . SER A 1 311 . 12.68 46.37 42.501 1 17.52 ? CB SER A 311 1 -ATOM 2354 O OG . SER A 1 311 . 12.759 45.201 43.314 1 28.32 ? OG SER A 311 1 -ATOM 2355 N N . GLY A 1 312 . 13.792 49.586 42.366 1 22.66 ? N GLY A 312 1 -ATOM 2356 C CA . GLY A 1 312 . 13.59 50.708 41.45 1 16.05 ? CA GLY A 312 1 -ATOM 2357 C C . GLY A 1 312 . 12.176 50.853 41.018 1 15.93 ? C GLY A 312 1 -ATOM 2358 O O . GLY A 1 312 . 11.823 51.512 40.05 1 16.26 ? O GLY A 312 1 -ATOM 2359 N N . ASN A 1 313 . 11.317 50.212 41.788 1 13.55 ? N ASN A 313 1 -ATOM 2360 C CA . ASN A 1 313 . 9.934 50.273 41.428 1 12.79 ? CA ASN A 313 1 -ATOM 2361 C C . ASN A 1 313 . 9.345 51.562 41.939 1 14.18 ? C ASN A 313 1 -ATOM 2362 O O . ASN A 1 313 . 8.511 51.543 42.827 1 17.05 ? O ASN A 313 1 -ATOM 2363 C CB . ASN A 1 313 . 9.246 49.058 42.036 1 9.57 ? CB ASN A 313 1 -ATOM 2364 C CG . ASN A 1 313 . 7.795 48.867 41.661 1 9.15 ? CG ASN A 313 1 -ATOM 2365 O OD1 . ASN A 1 313 . 7.154 47.935 42.126 1 17.83 ? OD1 ASN A 313 1 -ATOM 2366 N ND2 . ASN A 1 313 . 7.261 49.725 40.809 1 7.64 ? ND2 ASN A 313 1 -ATOM 2367 N N . PHE A 1 314 . 9.769 52.687 41.365 1 12.17 ? N PHE A 314 1 -ATOM 2368 C CA . PHE A 1 314 . 9.246 53.96 41.811 1 11.47 ? CA PHE A 314 1 -ATOM 2369 C C . PHE A 1 314 . 9.491 55.002 40.742 1 9.09 ? C PHE A 314 1 -ATOM 2370 O O . PHE A 1 314 . 10.292 54.813 39.841 1 11.88 ? O PHE A 314 1 -ATOM 2371 C CB . PHE A 1 314 . 9.927 54.378 43.142 1 8.27 ? CB PHE A 314 1 -ATOM 2372 C CG . PHE A 1 314 . 11.439 54.212 43.19 1 5.34 ? CG PHE A 314 1 -ATOM 2373 C CD1 . PHE A 1 314 . 12.275 55.125 42.522 1 5.5 ? CD1 PHE A 314 1 -ATOM 2374 C CD2 . PHE A 1 314 . 12.032 53.161 43.921 1 6.88 ? CD2 PHE A 314 1 -ATOM 2375 C CE1 . PHE A 1 314 . 13.67 55.013 42.589 1 5.64 ? CE1 PHE A 314 1 -ATOM 2376 C CE2 . PHE A 1 314 . 13.434 53.046 43.99 1 6.23 ? CE2 PHE A 314 1 -ATOM 2377 C CZ . PHE A 1 314 . 14.252 53.974 43.326 1 8.11 ? CZ PHE A 314 1 -ATOM 2378 N N . LYS A 1 315 . 8.78 56.117 40.865 1 6.19 ? N LYS A 315 1 -ATOM 2379 C CA . LYS A 1 315 . 8.949 57.212 39.93 1 5.55 ? CA LYS A 315 1 -ATOM 2380 C C . LYS A 1 315 . 10.401 57.689 39.991 1 8.59 ? C LYS A 315 1 -ATOM 2381 O O . LYS A 1 315 . 10.94 57.798 41.078 1 11.14 ? O LYS A 315 1 -ATOM 2382 C CB . LYS A 1 315 . 8.034 58.359 40.375 1 2 ? CB LYS A 315 1 -ATOM 2383 C CG . LYS A 1 315 . 7.791 59.418 39.309 1 2 ? CG LYS A 315 1 -ATOM 2384 C CD . LYS A 1 315 . 6.984 60.602 39.844 1 5.62 ? CD LYS A 315 1 -ATOM 2385 C CE . LYS A 1 315 . 7.012 61.841 38.941 1 2.23 ? CE LYS A 315 1 -ATOM 2386 N NZ . LYS A 1 315 . 6.314 61.584 37.702 1 7.21 ? NZ LYS A 315 1 -ATOM 2387 N N . LYS A 1 316 . 11.009 57.995 38.832 1 11.74 ? N LYS A 316 1 -ATOM 2388 C CA . LYS A 1 316 . 12.404 58.456 38.78 1 11.54 ? CA LYS A 316 1 -ATOM 2389 C C . LYS A 1 316 . 12.451 59.858 38.24 1 13.56 ? C LYS A 316 1 -ATOM 2390 O O . LYS A 1 316 . 12.348 60.074 37.049 1 20.69 ? O LYS A 316 1 -ATOM 2391 C CB . LYS A 1 316 . 13.171 57.521 37.864 1 8.26 ? CB LYS A 316 1 -ATOM 2392 C CG . LYS A 1 316 . 13.127 56.119 38.485 1 16.81 ? CG LYS A 316 1 -ATOM 2393 C CD . LYS A 1 316 . 13.289 54.969 37.505 1 20.85 ? CD LYS A 316 1 -ATOM 2394 C CE . LYS A 1 316 . 12.902 53.663 38.201 1 26.47 ? CE LYS A 316 1 -ATOM 2395 N NZ . LYS A 1 316 . 13.286 52.521 37.401 1 38.01 ? NZ LYS A 316 1 -ATOM 2396 N N . THR A 1 317 . 12.594 60.814 39.134 1 14.01 ? N THR A 317 1 -ATOM 2397 C CA . THR A 1 317 . 12.652 62.244 38.864 1 9.79 ? CA THR A 317 1 -ATOM 2398 C C . THR A 1 317 . 13.686 62.692 39.841 1 10.09 ? C THR A 317 1 -ATOM 2399 O O . THR A 1 317 . 14.387 61.834 40.377 1 14.11 ? O THR A 317 1 -ATOM 2400 C CB . THR A 1 317 . 11.268 62.826 39.158 1 8.4 ? CB THR A 317 1 -ATOM 2401 O OG1 . THR A 1 317 . 11.163 64.217 38.919 1 3.2 ? OG1 THR A 317 1 -ATOM 2402 C CG2 . THR A 1 317 . 10.726 62.508 40.561 1 13.38 ? CG2 THR A 317 1 -ATOM 2403 N N . GLN A 1 318 . 13.803 63.988 40.092 1 6.37 ? N GLN A 318 1 -ATOM 2404 C CA . GLN A 1 318 . 14.777 64.42 41.073 1 12.87 ? CA GLN A 318 1 -ATOM 2405 C C . GLN A 1 318 . 13.988 64.827 42.278 1 14.14 ? C GLN A 318 1 -ATOM 2406 O O . GLN A 1 318 . 12.856 65.269 42.127 1 16.56 ? O GLN A 318 1 -ATOM 2407 C CB . GLN A 1 318 . 15.678 65.574 40.599 1 15.58 ? CB GLN A 318 1 -ATOM 2408 C CG . GLN A 1 318 . 14.988 66.667 39.762 1 19.31 ? CG GLN A 318 1 -ATOM 2409 C CD . GLN A 1 318 . 14.54 66.13 38.419 1 22.16 ? CD GLN A 318 1 -ATOM 2410 O OE1 . GLN A 1 318 . 13.369 66.144 38.104 1 23.76 ? OE1 GLN A 318 1 -ATOM 2411 N NE2 . GLN A 1 318 . 15.466 65.585 37.653 1 23.65 ? NE2 GLN A 318 1 -ATOM 2412 N N . ILE A 1 319 . 14.601 64.668 43.46 1 14.51 ? N ILE A 319 1 -ATOM 2413 C CA . ILE A 1 319 . 13.962 65.028 44.715 1 13.89 ? CA ILE A 319 1 -ATOM 2414 C C . ILE A 1 319 . 14.935 65.892 45.481 1 13.76 ? C ILE A 319 1 -ATOM 2415 O O . ILE A 1 319 . 16.143 65.848 45.224 1 15.41 ? O ILE A 319 1 -ATOM 2416 C CB . ILE A 1 319 . 13.606 63.764 45.533 1 8.68 ? CB ILE A 319 1 -ATOM 2417 C CG1 . ILE A 1 319 . 14.81 62.833 45.701 1 9.47 ? CG1 ILE A 319 1 -ATOM 2418 C CG2 . ILE A 1 319 . 12.439 63.029 44.879 1 8.02 ? CG2 ILE A 319 1 -ATOM 2419 C CD1 . ILE A 1 319 . 14.535 61.645 46.616 1 10.02 ? CD1 ILE A 319 1 -ATOM 2420 N N . LEU A 1 320 . 14.374 66.653 46.433 1 12.95 ? N LEU A 320 1 -ATOM 2421 C CA . LEU A 1 320 . 15.133 67.534 47.325 1 13.55 ? CA LEU A 320 1 -ATOM 2422 C C . LEU A 1 320 . 14.604 67.179 48.708 1 16.92 ? C LEU A 320 1 -ATOM 2423 O O . LEU A 1 320 . 13.402 67.3 48.938 1 17.93 ? O LEU A 320 1 -ATOM 2424 C CB . LEU A 1 320 . 14.885 68.995 46.946 1 10.04 ? CB LEU A 320 1 -ATOM 2425 C CG . LEU A 1 320 . 15.616 70.015 47.806 1 2.89 ? CG LEU A 320 1 -ATOM 2426 C CD1 . LEU A 1 320 . 15.902 71.283 46.999 1 2 ? CD1 LEU A 320 1 -ATOM 2427 C CD2 . LEU A 1 320 . 14.777 70.365 49.034 1 2 ? CD2 LEU A 320 1 -ATOM 2428 N N . LEU A 1 321 . 15.471 66.724 49.628 1 19.13 ? N LEU A 321 1 -ATOM 2429 C CA . LEU A 1 321 . 14.983 66.334 50.959 1 20.76 ? CA LEU A 321 1 -ATOM 2430 C C . LEU A 1 321 . 15.948 66.716 52.073 1 21.85 ? C LEU A 321 1 -ATOM 2431 O O . LEU A 1 321 . 17.08 67.123 51.823 1 21.77 ? O LEU A 321 1 -ATOM 2432 C CB . LEU A 1 321 . 14.567 64.848 50.994 1 13.85 ? CB LEU A 321 1 -ATOM 2433 C CG . LEU A 1 321 . 15.662 63.771 50.878 1 10.01 ? CG LEU A 321 1 -ATOM 2434 C CD1 . LEU A 1 321 . 14.969 62.419 50.669 1 14.33 ? CD1 LEU A 321 1 -ATOM 2435 C CD2 . LEU A 1 321 . 16.697 64.033 49.786 1 12.34 ? CD2 LEU A 321 1 -ATOM 2436 N N . GLY A 1 322 . 15.474 66.606 53.323 1 20.68 ? N GLY A 322 1 -ATOM 2437 C CA . GLY A 1 322 . 16.364 66.975 54.413 1 21.02 ? CA GLY A 322 1 -ATOM 2438 C C . GLY A 1 322 . 15.837 66.67 55.788 1 20.39 ? C GLY A 322 1 -ATOM 2439 O O . GLY A 1 322 . 14.748 66.148 56.012 1 17.65 ? O GLY A 322 1 -ATOM 2440 N N . VAL A 1 323 . 16.676 67.039 56.737 1 19.21 ? N VAL A 323 1 -ATOM 2441 C CA . VAL A 1 323 . 16.454 66.802 58.135 1 16.39 ? CA VAL A 323 1 -ATOM 2442 C C . VAL A 1 323 . 16.833 68.06 58.918 1 18.43 ? C VAL A 323 1 -ATOM 2443 O O . VAL A 1 323 . 17.569 68.917 58.453 1 21.23 ? O VAL A 323 1 -ATOM 2444 C CB . VAL A 1 323 . 17.385 65.595 58.39 1 13.97 ? CB VAL A 323 1 -ATOM 2445 C CG1 . VAL A 1 323 . 18.247 65.66 59.636 1 22.44 ? CG1 VAL A 323 1 -ATOM 2446 C CG2 . VAL A 1 323 . 16.668 64.246 58.256 1 12.08 ? CG2 VAL A 323 1 -ATOM 2447 N N . ASN A 1 324 . 16.312 68.13 60.14 1 19.64 ? N ASN A 324 1 -ATOM 2448 C CA . ASN A 1 324 . 16.576 69.232 61.065 1 20.25 ? CA ASN A 324 1 -ATOM 2449 C C . ASN A 1 324 . 17.483 68.638 62.123 1 18.45 ? C ASN A 324 1 -ATOM 2450 O O . ASN A 1 324 . 17.417 67.451 62.429 1 17.84 ? O ASN A 324 1 -ATOM 2451 C CB . ASN A 1 324 . 15.325 69.717 61.812 1 22.56 ? CB ASN A 324 1 -ATOM 2452 C CG . ASN A 1 324 . 14.487 70.641 60.991 1 27.51 ? CG ASN A 324 1 -ATOM 2453 O OD1 . ASN A 1 324 . 14.739 70.895 59.826 1 37.47 ? OD1 ASN A 324 1 -ATOM 2454 N ND2 . ASN A 1 324 . 13.44 71.163 61.614 1 29.83 ? ND2 ASN A 324 1 -ATOM 2455 N N . LYS A 1 325 . 18.277 69.49 62.736 1 16.85 ? N LYS A 325 1 -ATOM 2456 C CA . LYS A 1 325 . 19.209 69.004 63.749 1 18.86 ? CA LYS A 325 1 -ATOM 2457 C C . LYS A 1 325 . 18.633 68.269 64.972 1 19.76 ? C LYS A 325 1 -ATOM 2458 O O . LYS A 1 325 . 19.155 67.238 65.376 1 22.32 ? O LYS A 325 1 -ATOM 2459 C CB . LYS A 1 325 . 20.041 70.206 64.203 1 19.84 ? CB LYS A 325 1 -ATOM 2460 C CG . LYS A 1 325 . 21.235 69.913 65.106 1 18.37 ? CG LYS A 325 1 -ATOM 2461 C CD . LYS A 1 325 . 21.879 71.216 65.602 1 23.69 ? CD LYS A 325 1 -ATOM 2462 C CE . LYS A 1 325 . 22.953 70.945 66.686 1 31.93 ? CE LYS A 325 1 -ATOM 2463 N N . ASP A 1 326 . 17.564 68.8 65.589 1 19 ? N ASP A 326 1 -ATOM 2464 C CA . ASP A 1 326 . 16.997 68.168 66.786 1 15.13 ? CA ASP A 326 1 -ATOM 2465 C C . ASP A 1 326 . 15.582 67.685 66.541 1 15.41 ? C ASP A 326 1 -ATOM 2466 O O . ASP A 1 326 . 14.554 68.246 66.915 1 17.38 ? O ASP A 326 1 -ATOM 2467 C CB . ASP A 1 326 . 17.045 69.147 67.964 1 14.86 ? CB ASP A 326 1 -ATOM 2468 C CG . ASP A 1 326 . 18.481 69.585 68.202 1 15.21 ? CG ASP A 326 1 -ATOM 2469 O OD1 . ASP A 1 326 . 19.246 68.787 68.744 1 12.3 ? OD1 ASP A 326 1 -ATOM 2470 O OD2 . ASP A 1 326 . 18.837 70.705 67.836 1 17.21 ? OD2 ASP A 326 1 -ATOM 2471 N N . GLU A 1 327 . 15.548 66.544 65.869 1 15.52 ? N GLU A 327 1 -ATOM 2472 C CA . GLU A 1 327 . 14.229 66.004 65.564 1 13.42 ? CA GLU A 327 1 -ATOM 2473 C C . GLU A 1 327 . 13.532 65.379 66.751 1 10.57 ? C GLU A 327 1 -ATOM 2474 O O . GLU A 1 327 . 12.316 65.3 66.771 1 9.81 ? O GLU A 327 1 -ATOM 2475 C CB . GLU A 1 327 . 14.333 64.889 64.496 1 17.15 ? CB GLU A 327 1 -ATOM 2476 C CG . GLU A 1 327 . 14.964 65.334 63.166 1 18.52 ? CG GLU A 327 1 -ATOM 2477 C CD . GLU A 1 327 . 13.97 66.056 62.282 1 19.62 ? CD GLU A 327 1 -ATOM 2478 O OE1 . GLU A 1 327 . 12.931 66.484 62.781 1 21.93 ? OE1 GLU A 327 1 -ATOM 2479 O OE2 . GLU A 1 327 . 14.237 66.179 61.09 1 16.45 ? OE2 GLU A 327 1 -ATOM 2480 N N . GLY A 1 328 . 14.326 64.899 67.718 1 11.45 ? N GLY A 328 1 -ATOM 2481 C CA . GLY A 1 328 . 13.742 64.223 68.891 1 9.29 ? CA GLY A 328 1 -ATOM 2482 C C . GLY A 1 328 . 13.019 65.075 69.925 1 5.98 ? C GLY A 328 1 -ATOM 2483 O O . GLY A 1 328 . 11.947 64.733 70.402 1 5.07 ? O GLY A 328 1 -ATOM 2484 N N . SER A 1 329 . 13.605 66.213 70.25 1 4.05 ? N SER A 329 1 -ATOM 2485 C CA . SER A 1 329 . 13.07 67.137 71.237 1 6.39 ? CA SER A 329 1 -ATOM 2486 C C . SER A 1 329 . 11.602 67.111 71.523 1 9.36 ? C SER A 329 1 -ATOM 2487 O O . SER A 1 329 . 11.178 66.831 72.631 1 15.58 ? O SER A 329 1 -ATOM 2488 C CB . SER A 1 329 . 13.402 68.587 70.876 1 4.71 ? CB SER A 329 1 -ATOM 2489 O OG . SER A 1 329 . 14.743 68.55 70.442 1 15.15 ? OG SER A 329 1 -ATOM 2490 N N . PHE A 1 330 . 10.831 67.435 70.503 1 10.03 ? N PHE A 330 1 -ATOM 2491 C CA . PHE A 1 330 . 9.388 67.504 70.67 1 9.24 ? CA PHE A 330 1 -ATOM 2492 C C . PHE A 1 330 . 8.801 66.222 71.233 1 11.37 ? C PHE A 330 1 -ATOM 2493 O O . PHE A 1 330 . 7.995 66.25 72.151 1 14.67 ? O PHE A 330 1 -ATOM 2494 C CB . PHE A 1 330 . 8.797 67.941 69.31 1 9.9 ? CB PHE A 330 1 -ATOM 2495 C CG . PHE A 1 330 . 7.361 67.57 69.09 1 5.23 ? CG PHE A 330 1 -ATOM 2496 C CD1 . PHE A 1 330 . 6.355 68.074 69.932 1 7.49 ? CD1 PHE A 330 1 -ATOM 2497 C CD2 . PHE A 1 330 . 7.029 66.699 68.05 1 2 ? CD2 PHE A 330 1 -ATOM 2498 C CE1 . PHE A 1 330 . 5.016 67.694 69.746 1 5.45 ? CE1 PHE A 330 1 -ATOM 2499 C CE2 . PHE A 1 330 . 5.702 66.309 67.869 1 6.92 ? CE2 PHE A 330 1 -ATOM 2500 C CZ . PHE A 1 330 . 4.692 66.803 68.719 1 7.06 ? CZ PHE A 330 1 -ATOM 2501 N N . PHE A 1 331 . 9.253 65.093 70.703 1 10.22 ? N PHE A 331 1 -ATOM 2502 C CA . PHE A 1 331 . 8.704 63.827 71.186 1 9.49 ? CA PHE A 331 1 -ATOM 2503 C C . PHE A 1 331 . 9.104 63.55 72.605 1 10.53 ? C PHE A 331 1 -ATOM 2504 O O . PHE A 1 331 . 8.302 63.082 73.401 1 18.03 ? O PHE A 331 1 -ATOM 2505 C CB . PHE A 1 331 . 9.108 62.653 70.283 1 5.51 ? CB PHE A 331 1 -ATOM 2506 C CG . PHE A 1 331 . 8.718 62.957 68.87 1 7.87 ? CG PHE A 331 1 -ATOM 2507 C CD1 . PHE A 1 331 . 9.586 63.696 68.044 1 9.94 ? CD1 PHE A 331 1 -ATOM 2508 C CD2 . PHE A 1 331 . 7.436 62.607 68.414 1 7.15 ? CD2 PHE A 331 1 -ATOM 2509 C CE1 . PHE A 1 331 . 9.155 64.126 66.787 1 9.44 ? CE1 PHE A 331 1 -ATOM 2510 C CE2 . PHE A 1 331 . 7.007 63.035 67.154 1 9.46 ? CE2 PHE A 331 1 -ATOM 2511 C CZ . PHE A 1 331 . 7.863 63.8 66.344 1 11.59 ? CZ PHE A 331 1 -ATOM 2512 N N . LEU A 1 332 . 10.375 63.847 72.918 1 9.05 ? N LEU A 332 1 -ATOM 2513 C CA . LEU A 1 332 . 10.84 63.607 74.285 1 7.07 ? CA LEU A 332 1 -ATOM 2514 C C . LEU A 1 332 . 10.027 64.468 75.245 1 7.31 ? C LEU A 332 1 -ATOM 2515 O O . LEU A 1 332 . 9.32 63.979 76.117 1 5.4 ? O LEU A 332 1 -ATOM 2516 C CB . LEU A 1 332 . 12.349 63.825 74.423 1 2 ? CB LEU A 332 1 -ATOM 2517 C CG . LEU A 1 332 . 13.172 62.733 73.743 1 2 ? CG LEU A 332 1 -ATOM 2518 C CD1 . LEU A 1 332 . 14.622 63.164 73.595 1 2 ? CD1 LEU A 332 1 -ATOM 2519 C CD2 . LEU A 1 332 . 13.094 61.403 74.488 1 2 ? CD2 LEU A 332 1 -ATOM 2520 N N . LEU A 1 333 . 10.102 65.774 75.008 1 4.82 ? N LEU A 333 1 -ATOM 2521 C CA . LEU A 1 333 . 9.359 66.732 75.799 1 4.67 ? CA LEU A 333 1 -ATOM 2522 C C . LEU A 1 333 . 7.899 66.344 76.002 1 6.42 ? C LEU A 333 1 -ATOM 2523 O O . LEU A 1 333 . 7.33 66.523 77.071 1 13.53 ? O LEU A 333 1 -ATOM 2524 C CB . LEU A 1 333 . 9.46 68.073 75.079 1 6.73 ? CB LEU A 333 1 -ATOM 2525 C CG . LEU A 1 333 . 8.757 69.31 75.682 1 8.9 ? CG LEU A 333 1 -ATOM 2526 C CD1 . LEU A 1 333 . 7.382 69.539 75.101 1 9.01 ? CD1 LEU A 333 1 -ATOM 2527 C CD2 . LEU A 1 333 . 8.713 69.365 77.212 1 12.87 ? CD2 LEU A 333 1 -ATOM 2528 N N . TYR A 1 334 . 7.28 65.785 74.975 1 6.07 ? N TYR A 334 1 -ATOM 2529 C CA . TYR A 1 334 . 5.871 65.437 75.152 1 6.57 ? CA TYR A 334 1 -ATOM 2530 C C . TYR A 1 334 . 5.629 64.108 75.786 1 6.32 ? C TYR A 334 1 -ATOM 2531 O O . TYR A 1 334 . 4.517 63.901 76.249 1 8.62 ? O TYR A 334 1 -ATOM 2532 C CB . TYR A 1 334 . 5.054 65.477 73.835 1 5.74 ? CB TYR A 334 1 -ATOM 2533 C CG . TYR A 1 334 . 4.521 66.852 73.512 1 2 ? CG TYR A 334 1 -ATOM 2534 C CD1 . TYR A 1 334 . 5.409 67.907 73.254 1 2 ? CD1 TYR A 334 1 -ATOM 2535 C CD2 . TYR A 1 334 . 3.137 67.079 73.46 1 2 ? CD2 TYR A 334 1 -ATOM 2536 C CE1 . TYR A 1 334 . 4.912 69.181 72.946 1 5.08 ? CE1 TYR A 334 1 -ATOM 2537 C CE2 . TYR A 1 334 . 2.633 68.349 73.155 1 2 ? CE2 TYR A 334 1 -ATOM 2538 C CZ . TYR A 1 334 . 3.521 69.399 72.89 1 4.53 ? CZ TYR A 334 1 -ATOM 2539 O OH . TYR A 1 334 . 3.049 70.651 72.554 1 11.53 ? OH TYR A 334 1 -ATOM 2540 N N . GLY A 1 335 . 6.595 63.194 75.819 1 6.87 ? N GLY A 335 1 -ATOM 2541 C CA . GLY A 1 335 . 6.176 61.96 76.48 1 7.35 ? CA GLY A 335 1 -ATOM 2542 C C . GLY A 1 335 . 7.252 61.095 77.07 1 9.23 ? C GLY A 335 1 -ATOM 2543 O O . GLY A 1 335 . 7.053 59.912 77.296 1 7.96 ? O GLY A 335 1 -ATOM 2544 N N . ALA A 1 336 . 8.413 61.661 77.332 1 10.09 ? N ALA A 336 1 -ATOM 2545 C CA . ALA A 1 336 . 9.487 60.899 77.92 1 11.9 ? CA ALA A 336 1 -ATOM 2546 C C . ALA A 1 336 . 9.673 61.485 79.315 1 15.96 ? C ALA A 336 1 -ATOM 2547 O O . ALA A 1 336 . 9.58 62.702 79.5 1 18.28 ? O ALA A 336 1 -ATOM 2548 C CB . ALA A 1 336 . 10.768 61.057 77.107 1 15.83 ? CB ALA A 336 1 -ATOM 2549 N N . PRO A 1 337 . 9.904 60.61 80.308 1 15.53 ? N PRO A 337 1 -ATOM 2550 C CA . PRO A 1 337 . 9.985 61.082 81.683 1 14.25 ? CA PRO A 337 1 -ATOM 2551 C C . PRO A 1 337 . 11.283 61.808 82.017 1 15.93 ? C PRO A 337 1 -ATOM 2552 O O . PRO A 1 337 . 12.366 61.243 81.891 1 15.63 ? O PRO A 337 1 -ATOM 2553 C CB . PRO A 1 337 . 9.91 59.789 82.5 1 16.93 ? CB PRO A 337 1 -ATOM 2554 C CG . PRO A 1 337 . 10.331 58.651 81.553 1 17.25 ? CG PRO A 337 1 -ATOM 2555 C CD . PRO A 1 337 . 9.995 59.158 80.154 1 17.55 ? CD PRO A 337 1 -ATOM 2556 N N . GLY A 1 338 . 11.154 63.059 82.479 1 14.88 ? N GLY A 338 1 -ATOM 2557 C CA . GLY A 1 338 . 12.336 63.815 82.855 1 14.54 ? CA GLY A 338 1 -ATOM 2558 C C . GLY A 1 338 . 12.454 65.113 82.127 1 17.81 ? C GLY A 338 1 -ATOM 2559 O O . GLY A 1 338 . 13.127 66.053 82.554 1 22.81 ? O GLY A 338 1 -ATOM 2560 N N . PHE A 1 339 . 11.757 65.184 80.999 1 19.32 ? N PHE A 339 1 -ATOM 2561 C CA . PHE A 1 339 . 11.838 66.393 80.199 1 13.96 ? CA PHE A 339 1 -ATOM 2562 C C . PHE A 1 339 . 10.696 67.272 80.539 1 13.96 ? C PHE A 339 1 -ATOM 2563 O O . PHE A 1 339 . 9.606 66.77 80.776 1 22.31 ? O PHE A 339 1 -ATOM 2564 C CB . PHE A 1 339 . 11.708 66.044 78.717 1 10.64 ? CB PHE A 339 1 -ATOM 2565 C CG . PHE A 1 339 . 12.837 65.169 78.27 1 3.88 ? CG PHE A 339 1 -ATOM 2566 C CD1 . PHE A 1 339 . 12.76 63.776 78.437 1 2.63 ? CD1 PHE A 339 1 -ATOM 2567 C CD2 . PHE A 1 339 . 13.967 65.743 77.68 1 2 ? CD2 PHE A 339 1 -ATOM 2568 C CE1 . PHE A 1 339 . 13.811 62.968 78.001 1 2.88 ? CE1 PHE A 339 1 -ATOM 2569 C CE2 . PHE A 1 339 . 15.001 64.936 77.218 1 2 ? CE2 PHE A 339 1 -ATOM 2570 C CZ . PHE A 1 339 . 14.928 63.553 77.384 1 2 ? CZ PHE A 339 1 -ATOM 2571 N N . SER A 1 340 . 10.907 68.57 80.551 1 5.93 ? N SER A 340 1 -ATOM 2572 C CA . SER A 1 340 . 9.788 69.412 80.861 1 8.24 ? CA SER A 340 1 -ATOM 2573 C C . SER A 1 340 . 10.176 70.702 80.211 1 9.54 ? C SER A 340 1 -ATOM 2574 O O . SER A 1 340 . 11.351 71.018 80.104 1 12.25 ? O SER A 340 1 -ATOM 2575 C CB . SER A 1 340 . 9.52 69.474 82.37 1 13.24 ? CB SER A 340 1 -ATOM 2576 O OG . SER A 1 340 . 10.769 69.483 83.055 1 20.34 ? OG SER A 340 1 -ATOM 2577 N N . LYS A 1 341 . 9.165 71.447 79.776 1 8.55 ? N LYS A 341 1 -ATOM 2578 C CA . LYS A 1 341 . 9.393 72.688 79.084 1 6.09 ? CA LYS A 341 1 -ATOM 2579 C C . LYS A 1 341 . 10.149 73.771 79.809 1 10.8 ? C LYS A 341 1 -ATOM 2580 O O . LYS A 1 341 . 10.918 74.49 79.193 1 16.03 ? O LYS A 341 1 -ATOM 2581 C CB . LYS A 1 341 . 8.028 73.295 78.73 1 8.3 ? CB LYS A 341 1 -ATOM 2582 C CG . LYS A 1 341 . 8.154 74.489 77.781 1 12.38 ? CG LYS A 341 1 -ATOM 2583 C CD . LYS A 1 341 . 6.811 75.078 77.352 1 17.57 ? CD LYS A 341 1 -ATOM 2584 C CE . LYS A 1 341 . 6.425 76.349 78.108 1 20.78 ? CE LYS A 341 1 -ATOM 2585 N NZ . LYS A 1 341 . 5.582 75.995 79.23 1 27.83 ? NZ LYS A 341 1 -ATOM 2586 N N . ASP A 1 342 . 9.896 73.931 81.115 1 11.84 ? N ASP A 342 1 -ATOM 2587 C CA . ASP A 1 342 . 10.561 75.064 81.769 1 10.44 ? CA ASP A 342 1 -ATOM 2588 C C . ASP A 1 342 . 11.803 74.749 82.55 1 11.23 ? C ASP A 342 1 -ATOM 2589 O O . ASP A 1 342 . 12.316 75.581 83.279 1 11.16 ? O ASP A 342 1 -ATOM 2590 C CB . ASP A 1 342 . 9.553 75.748 82.683 1 13.39 ? CB ASP A 342 1 -ATOM 2591 C CG . ASP A 1 342 . 8.298 76.132 81.915 1 18.79 ? CG ASP A 342 1 -ATOM 2592 O OD1 . ASP A 1 342 . 8.437 76.553 80.772 1 19.02 ? OD1 ASP A 342 1 -ATOM 2593 O OD2 . ASP A 1 342 . 7.189 76.011 82.446 1 26.74 ? OD2 ASP A 342 1 -ATOM 2594 N N . SER A 1 343 . 12.27 73.537 82.398 1 12.35 ? N SER A 343 1 -ATOM 2595 C CA . SER A 1 343 . 13.432 73.038 83.083 1 13.1 ? CA SER A 343 1 -ATOM 2596 C C . SER A 1 343 . 14.442 72.8 81.979 1 14.58 ? C SER A 343 1 -ATOM 2597 O O . SER A 1 343 . 14.082 72.847 80.821 1 22.87 ? O SER A 343 1 -ATOM 2598 C CB . SER A 1 343 . 12.901 71.703 83.628 1 9.72 ? CB SER A 343 1 -ATOM 2599 O OG . SER A 1 343 . 13.862 70.896 84.288 1 24.12 ? OG SER A 343 1 -ATOM 2600 N N . GLU A 1 344 . 15.701 72.514 82.304 1 12.45 ? N GLU A 344 1 -ATOM 2601 C CA . GLU A 1 344 . 16.664 72.234 81.208 1 12.6 ? CA GLU A 344 1 -ATOM 2602 C C . GLU A 1 344 . 16.839 70.723 81.029 1 14.76 ? C GLU A 344 1 -ATOM 2603 O O . GLU A 1 344 . 17.855 70.186 80.595 1 12.18 ? O GLU A 344 1 -ATOM 2604 C CB . GLU A 1 344 . 18.042 72.927 81.38 1 16.85 ? CB GLU A 344 1 -ATOM 2605 C CG . GLU A 1 344 . 18.786 72.592 82.679 1 22.04 ? CG GLU A 344 1 -ATOM 2606 N N . SER A 1 345 . 15.812 70.055 81.504 1 14.52 ? N SER A 345 1 -ATOM 2607 C CA . SER A 1 345 . 15.761 68.621 81.409 1 17.55 ? CA SER A 345 1 -ATOM 2608 C C . SER A 1 345 . 17.032 67.777 81.415 1 20.59 ? C SER A 345 1 -ATOM 2609 O O . SER A 1 345 . 17.349 67.167 80.404 1 21.82 ? O SER A 345 1 -ATOM 2610 C CB . SER A 1 345 . 14.978 68.355 80.137 1 16.43 ? CB SER A 345 1 -ATOM 2611 O OG . SER A 1 345 . 13.731 69.049 80.314 1 18.13 ? OG SER A 345 1 -ATOM 2612 N N . LYS A 1 346 . 17.716 67.723 82.579 1 21.86 ? N LYS A 346 1 -ATOM 2613 C CA . LYS A 1 346 . 18.91 66.879 82.705 1 23.77 ? CA LYS A 346 1 -ATOM 2614 C C . LYS A 1 346 . 18.369 65.497 83.043 1 25 ? C LYS A 346 1 -ATOM 2615 O O . LYS A 1 346 . 17.66 65.332 84.033 1 29.16 ? O LYS A 346 1 -ATOM 2616 C CB . LYS A 1 346 . 19.81 67.439 83.801 1 24.4 ? CB LYS A 346 1 -ATOM 2617 C CG . LYS A 1 346 . 20.523 68.699 83.294 1 33.23 ? CG LYS A 346 1 -ATOM 2618 C CD . LYS A 1 346 . 21.118 69.581 84.404 1 39.97 ? CD LYS A 346 1 -ATOM 2619 C CE . LYS A 1 346 . 22.034 70.688 83.836 1 45.95 ? CE LYS A 346 1 -ATOM 2620 N NZ . LYS A 1 346 . 21.742 71.993 84.41 1 51.42 ? NZ LYS A 346 1 -ATOM 2621 N N . ILE A 1 347 . 18.678 64.494 82.229 1 25.23 ? N ILE A 347 1 -ATOM 2622 C CA . ILE A 1 347 . 18.097 63.181 82.513 1 24.86 ? CA ILE A 347 1 -ATOM 2623 C C . ILE A 1 347 . 19.087 62.314 83.248 1 24.84 ? C ILE A 347 1 -ATOM 2624 O O . ILE A 1 347 . 20.276 62.293 82.982 1 25.36 ? O ILE A 347 1 -ATOM 2625 C CB . ILE A 1 347 . 17.521 62.564 81.206 1 20.35 ? CB ILE A 347 1 -ATOM 2626 C CG1 . ILE A 1 347 . 16.094 63.087 80.926 1 19.69 ? CG1 ILE A 347 1 -ATOM 2627 C CG2 . ILE A 1 347 . 17.475 61.029 81.185 1 18.16 ? CG2 ILE A 347 1 -ATOM 2628 C CD1 . ILE A 1 347 . 15.975 64.597 80.697 1 12.3 ? CD1 ILE A 347 1 -ATOM 2629 N N . SER A 1 348 . 18.517 61.576 84.19 1 22.6 ? N SER A 348 1 -ATOM 2630 C CA . SER A 1 348 . 19.28 60.669 85.023 1 22.96 ? CA SER A 348 1 -ATOM 2631 C C . SER A 1 348 . 19.473 59.374 84.291 1 25.12 ? C SER A 348 1 -ATOM 2632 O O . SER A 1 348 . 18.705 59.101 83.376 1 29.86 ? O SER A 348 1 -ATOM 2633 C CB . SER A 1 348 . 18.412 60.381 86.27 1 22.94 ? CB SER A 348 1 -ATOM 2634 O OG . SER A 1 348 . 17.043 60.109 85.921 1 21.81 ? OG SER A 348 1 -ATOM 2635 N N . ARG A 1 349 . 20.421 58.52 84.727 1 26.78 ? N ARG A 349 1 -ATOM 2636 C CA . ARG A 1 349 . 20.509 57.267 83.982 1 26.44 ? CA ARG A 349 1 -ATOM 2637 C C . ARG A 1 349 . 19.252 56.469 84.092 1 23.3 ? C ARG A 349 1 -ATOM 2638 O O . ARG A 1 349 . 18.958 55.655 83.241 1 23.92 ? O ARG A 349 1 -ATOM 2639 C CB . ARG A 1 349 . 21.692 56.337 84.303 1 28.34 ? CB ARG A 349 1 -ATOM 2640 C CG . ARG A 1 349 . 23.027 56.81 83.672 1 39.36 ? CG ARG A 349 1 -ATOM 2641 C CD . ARG A 1 349 . 23.038 57.123 82.138 1 42.13 ? CD ARG A 349 1 -ATOM 2642 N NE . ARG A 1 349 . 23.855 56.244 81.299 1 42.13 ? NE ARG A 349 1 -ATOM 2643 C CZ . ARG A 1 349 . 23.557 54.954 81.069 1 43.18 ? CZ ARG A 349 1 -ATOM 2644 N NH1 . ARG A 1 349 . 22.555 54.338 81.691 1 44.85 ? NH1 ARG A 349 1 -ATOM 2645 N NH2 . ARG A 1 349 . 24.288 54.268 80.201 1 43.64 ? NH2 ARG A 349 1 -ATOM 2646 N N . GLU A 1 350 . 18.488 56.699 85.144 1 26.9 ? N GLU A 350 1 -ATOM 2647 C CA . GLU A 1 350 . 17.263 55.911 85.222 1 31.45 ? CA GLU A 350 1 -ATOM 2648 C C . GLU A 1 350 . 16.301 56.334 84.127 1 30.75 ? C GLU A 350 1 -ATOM 2649 O O . GLU A 1 350 . 15.825 55.539 83.332 1 33.01 ? O GLU A 350 1 -ATOM 2650 C CB . GLU A 1 350 . 16.599 55.97 86.622 1 35.7 ? CB GLU A 350 1 -ATOM 2651 C CG . GLU A 1 350 . 15.595 54.81 86.857 1 42.44 ? CG GLU A 350 1 -ATOM 2652 N N . ASP A 1 351 . 16.039 57.637 84.077 1 29.4 ? N ASP A 351 1 -ATOM 2653 C CA . ASP A 1 351 . 15.114 58.079 83.044 1 28.05 ? CA ASP A 351 1 -ATOM 2654 C C . ASP A 1 351 . 15.675 57.927 81.642 1 27.22 ? C ASP A 351 1 -ATOM 2655 O O . ASP A 1 351 . 14.95 57.87 80.655 1 30.6 ? O ASP A 351 1 -ATOM 2656 C CB . ASP A 1 351 . 14.65 59.51 83.302 1 28.99 ? CB ASP A 351 1 -ATOM 2657 C CG . ASP A 1 351 . 13.711 59.62 84.492 1 28.45 ? CG ASP A 351 1 -ATOM 2658 O OD1 . ASP A 1 351 . 12.964 58.665 84.744 1 26.02 ? OD1 ASP A 351 1 -ATOM 2659 O OD2 . ASP A 1 351 . 13.732 60.665 85.149 1 27.93 ? OD2 ASP A 351 1 -ATOM 2660 N N . PHE A 1 352 . 17.001 57.87 81.56 1 24.01 ? N PHE A 352 1 -ATOM 2661 C CA . PHE A 1 352 . 17.655 57.687 80.279 1 19.62 ? CA PHE A 352 1 -ATOM 2662 C C . PHE A 1 352 . 17.26 56.333 79.769 1 19.15 ? C PHE A 352 1 -ATOM 2663 O O . PHE A 1 352 . 16.744 56.171 78.675 1 25.45 ? O PHE A 352 1 -ATOM 2664 C CB . PHE A 1 352 . 19.18 57.737 80.436 1 18.2 ? CB PHE A 352 1 -ATOM 2665 C CG . PHE A 1 352 . 19.923 57.384 79.172 1 18.83 ? CG PHE A 352 1 -ATOM 2666 C CD1 . PHE A 1 352 . 20.242 58.377 78.231 1 21.32 ? CD1 PHE A 352 1 -ATOM 2667 C CD2 . PHE A 1 352 . 20.326 56.058 78.941 1 15.96 ? CD2 PHE A 352 1 -ATOM 2668 C CE1 . PHE A 1 352 . 20.986 58.048 77.086 1 21.96 ? CE1 PHE A 352 1 -ATOM 2669 C CE2 . PHE A 1 352 . 21.057 55.728 77.794 1 14.3 ? CE2 PHE A 352 1 -ATOM 2670 C CZ . PHE A 1 352 . 21.399 56.724 76.869 1 18.25 ? CZ PHE A 352 1 -ATOM 2671 N N . MET A 1 353 . 17.487 55.335 80.612 1 17.09 ? N MET A 353 1 -ATOM 2672 C CA . MET A 1 353 . 17.134 53.996 80.193 1 18.52 ? CA MET A 353 1 -ATOM 2673 C C . MET A 1 353 . 15.644 53.84 79.978 1 20.49 ? C MET A 353 1 -ATOM 2674 O O . MET A 1 353 . 15.198 53.013 79.189 1 19.81 ? O MET A 353 1 -ATOM 2675 C CB . MET A 1 353 . 17.754 52.953 81.11 1 19.65 ? CB MET A 353 1 -ATOM 2676 C CG . MET A 1 353 . 19.295 53.119 81.05 1 18.12 ? CG MET A 353 1 -ATOM 2677 N N . SER A 1 354 . 14.859 54.645 80.703 1 22.71 ? N SER A 354 1 -ATOM 2678 C CA . SER A 1 354 . 13.424 54.538 80.475 1 25.84 ? CA SER A 354 1 -ATOM 2679 C C . SER A 1 354 . 13.094 55.109 79.09 1 25.87 ? C SER A 354 1 -ATOM 2680 O O . SER A 1 354 . 12.221 54.666 78.352 1 28.42 ? O SER A 354 1 -ATOM 2681 C CB . SER A 1 354 . 12.633 55.339 81.526 1 27.61 ? CB SER A 354 1 -ATOM 2682 O OG . SER A 1 354 . 13.05 55.077 82.868 1 35.58 ? OG SER A 354 1 -ATOM 2683 N N . GLY A 1 355 . 13.847 56.145 78.754 1 23.04 ? N GLY A 355 1 -ATOM 2684 C CA . GLY A 1 355 . 13.632 56.789 77.491 1 20.76 ? CA GLY A 355 1 -ATOM 2685 C C . GLY A 1 355 . 13.913 55.887 76.33 1 20.74 ? C GLY A 355 1 -ATOM 2686 O O . GLY A 1 355 . 13.065 55.716 75.465 1 20.96 ? O GLY A 355 1 -ATOM 2687 N N . VAL A 1 356 . 15.118 55.281 76.33 1 16.58 ? N VAL A 356 1 -ATOM 2688 C CA . VAL A 1 356 . 15.436 54.406 75.221 1 12.8 ? CA VAL A 356 1 -ATOM 2689 C C . VAL A 1 356 . 14.445 53.285 75.072 1 12.89 ? C VAL A 356 1 -ATOM 2690 O O . VAL A 1 356 . 14.189 52.86 73.962 1 20.26 ? O VAL A 356 1 -ATOM 2691 C CB . VAL A 1 356 . 16.919 53.999 75.178 1 15.13 ? CB VAL A 356 1 -ATOM 2692 C CG1 . VAL A 1 356 . 17.576 53.882 76.541 1 11.98 ? CG1 VAL A 356 1 -ATOM 2693 C CG2 . VAL A 1 356 . 17.22 52.742 74.32 1 16.47 ? CG2 VAL A 356 1 -ATOM 2694 N N . LYS A 1 357 . 13.868 52.798 76.158 1 17.12 ? N LYS A 357 1 -ATOM 2695 C CA . LYS A 1 357 . 12.876 51.743 75.975 1 18.3 ? CA LYS A 357 1 -ATOM 2696 C C . LYS A 1 357 . 11.719 52.291 75.167 1 16.64 ? C LYS A 357 1 -ATOM 2697 O O . LYS A 1 357 . 11.169 51.615 74.316 1 20.77 ? O LYS A 357 1 -ATOM 2698 C CB . LYS A 1 357 . 12.315 51.214 77.311 1 23.65 ? CB LYS A 357 1 -ATOM 2699 C CG . LYS A 1 357 . 13.34 50.427 78.147 1 34.69 ? CG LYS A 357 1 -ATOM 2700 C CD . LYS A 1 357 . 12.893 49.065 78.757 1 48.38 ? CD LYS A 357 1 -ATOM 2701 C CE . LYS A 1 357 . 11.495 48.5 78.39 1 53.77 ? CE LYS A 357 1 -ATOM 2702 N NZ . LYS A 1 357 . 11.366 48.161 76.97 1 58.39 ? NZ LYS A 357 1 -ATOM 2703 N N . LEU A 1 358 . 11.354 53.539 75.448 1 16.56 ? N LEU A 358 1 -ATOM 2704 C CA . LEU A 1 358 . 10.239 54.119 74.705 1 16.67 ? CA LEU A 358 1 -ATOM 2705 C C . LEU A 1 358 . 10.595 54.389 73.255 1 19.85 ? C LEU A 358 1 -ATOM 2706 O O . LEU A 1 358 . 9.729 54.354 72.389 1 26.58 ? O LEU A 358 1 -ATOM 2707 C CB . LEU A 1 358 . 9.796 55.471 75.298 1 7.56 ? CB LEU A 358 1 -ATOM 2708 C CG . LEU A 1 358 . 9.274 55.385 76.723 1 2 ? CG LEU A 358 1 -ATOM 2709 C CD1 . LEU A 1 358 . 9.116 56.78 77.314 1 2 ? CD1 LEU A 358 1 -ATOM 2710 C CD2 . LEU A 1 358 . 7.937 54.652 76.758 1 2 ? CD2 LEU A 358 1 -ATOM 2711 N N . SER A 1 359 . 11.862 54.715 73.003 1 17.69 ? N SER A 359 1 -ATOM 2712 C CA . SER A 1 359 . 12.256 54.998 71.638 1 15.36 ? CA SER A 359 1 -ATOM 2713 C C . SER A 1 359 . 12.405 53.77 70.792 1 16.54 ? C SER A 359 1 -ATOM 2714 O O . SER A 1 359 . 12.192 53.833 69.594 1 22.9 ? O SER A 359 1 -ATOM 2715 C CB . SER A 1 359 . 13.594 55.739 71.579 1 13.6 ? CB SER A 359 1 -ATOM 2716 O OG . SER A 1 359 . 13.573 56.801 72.535 1 20.22 ? OG SER A 359 1 -ATOM 2717 N N . VAL A 1 360 . 12.759 52.645 71.391 1 11.65 ? N VAL A 360 1 -ATOM 2718 C CA . VAL A 1 360 . 12.944 51.481 70.561 1 9.46 ? CA VAL A 360 1 -ATOM 2719 C C . VAL A 1 360 . 11.964 50.393 70.96 1 12.11 ? C VAL A 360 1 -ATOM 2720 O O . VAL A 1 360 . 12.368 49.333 71.408 1 16.36 ? O VAL A 360 1 -ATOM 2721 C CB . VAL A 1 360 . 14.434 51.063 70.661 1 9.14 ? CB VAL A 360 1 -ATOM 2722 C CG1 . VAL A 1 360 . 14.841 50.178 69.466 1 10.89 ? CG1 VAL A 360 1 -ATOM 2723 C CG2 . VAL A 1 360 . 15.367 52.292 70.691 1 10.29 ? CG2 VAL A 360 1 -ATOM 2724 N N . PRO A 1 361 . 10.655 50.62 70.779 1 15.18 ? N PRO A 361 1 -ATOM 2725 C CA . PRO A 1 361 . 9.654 49.694 71.335 1 15.98 ? CA PRO A 361 1 -ATOM 2726 C C . PRO A 1 361 . 9.757 48.242 70.921 1 19.48 ? C PRO A 361 1 -ATOM 2727 O O . PRO A 1 361 . 9.177 47.348 71.504 1 23.85 ? O PRO A 361 1 -ATOM 2728 C CB . PRO A 1 361 . 8.306 50.273 70.88 1 11.55 ? CB PRO A 361 1 -ATOM 2729 C CG . PRO A 1 361 . 8.642 51.317 69.81 1 12.75 ? CG PRO A 361 1 -ATOM 2730 C CD . PRO A 1 361 . 10.084 51.755 70.062 1 14.4 ? CD PRO A 361 1 -ATOM 2731 N N . HIS A 1 362 . 10.477 48.02 69.845 1 25.44 ? N HIS A 362 1 -ATOM 2732 C CA . HIS A 1 362 . 10.623 46.67 69.321 1 29.48 ? CA HIS A 362 1 -ATOM 2733 C C . HIS A 1 362 . 11.939 46.025 69.693 1 30.3 ? C HIS A 362 1 -ATOM 2734 O O . HIS A 1 362 . 12.196 44.881 69.334 1 34.95 ? O HIS A 362 1 -ATOM 2735 C CB . HIS A 1 362 . 10.507 46.696 67.769 1 35.06 ? CB HIS A 362 1 -ATOM 2736 C CG . HIS A 1 362 . 11.27 47.87 67.165 1 36.68 ? CG HIS A 362 1 -ATOM 2737 N ND1 . HIS A 1 362 . 10.727 49.092 66.938 1 35.63 ? ND1 HIS A 362 1 -ATOM 2738 C CD2 . HIS A 1 362 . 12.633 47.919 66.802 1 35.92 ? CD2 HIS A 362 1 -ATOM 2739 C CE1 . HIS A 1 362 . 11.71 49.868 66.466 1 36.94 ? CE1 HIS A 362 1 -ATOM 2740 N NE2 . HIS A 1 362 . 12.865 49.175 66.382 1 39.26 ? NE2 HIS A 362 1 -ATOM 2741 N N . ALA A 1 363 . 12.812 46.774 70.361 1 25.05 ? N ALA A 363 1 -ATOM 2742 C CA . ALA A 1 363 . 14.062 46.133 70.675 1 24.3 ? CA ALA A 363 1 -ATOM 2743 C C . ALA A 1 363 . 13.848 45.186 71.823 1 26.94 ? C ALA A 363 1 -ATOM 2744 O O . ALA A 1 363 . 12.951 45.319 72.646 1 27.66 ? O ALA A 363 1 -ATOM 2745 C CB . ALA A 1 363 . 15.134 47.133 71.121 1 24.12 ? CB ALA A 363 1 -ATOM 2746 N N . ASN A 1 364 . 14.749 44.213 71.849 1 25.62 ? N ASN A 364 1 -ATOM 2747 C CA . ASN A 1 364 . 14.758 43.232 72.908 1 22.62 ? CA ASN A 364 1 -ATOM 2748 C C . ASN A 1 364 . 15.867 43.752 73.798 1 24.4 ? C ASN A 364 1 -ATOM 2749 O O . ASN A 1 364 . 16.571 44.705 73.484 1 24.24 ? O ASN A 364 1 -ATOM 2750 C CB . ASN A 1 364 . 15.012 41.792 72.399 1 23.27 ? CB ASN A 364 1 -ATOM 2751 C CG . ASN A 1 364 . 16.304 41.675 71.63 1 23.08 ? CG ASN A 364 1 -ATOM 2752 O OD1 . ASN A 1 364 . 17.141 42.556 71.718 1 28.93 ? OD1 ASN A 364 1 -ATOM 2753 N ND2 . ASN A 1 364 . 16.476 40.606 70.87 1 23.88 ? ND2 ASN A 364 1 -ATOM 2754 N N . ASP A 1 365 . 16.056 43.061 74.917 1 27.48 ? N ASP A 365 1 -ATOM 2755 C CA . ASP A 1 365 . 17.081 43.472 75.882 1 25.27 ? CA ASP A 365 1 -ATOM 2756 C C . ASP A 1 365 . 18.43 43.73 75.275 1 25.82 ? C ASP A 365 1 -ATOM 2757 O O . ASP A 1 365 . 19.141 44.68 75.568 1 28.02 ? O ASP A 365 1 -ATOM 2758 C CB . ASP A 1 365 . 17.372 42.372 76.914 1 26.63 ? CB ASP A 365 1 -ATOM 2759 N N . LEU A 1 366 . 18.782 42.827 74.38 1 23.27 ? N LEU A 366 1 -ATOM 2760 C CA . LEU A 1 366 . 20.075 42.962 73.762 1 21.37 ? CA LEU A 366 1 -ATOM 2761 C C . LEU A 1 366 . 20.147 44.191 72.883 1 21.66 ? C LEU A 366 1 -ATOM 2762 O O . LEU A 1 366 . 21.144 44.898 72.806 1 22.93 ? O LEU A 366 1 -ATOM 2763 C CB . LEU A 1 366 . 20.344 41.69 72.966 1 22.53 ? CB LEU A 366 1 -ATOM 2764 C CG . LEU A 1 366 . 21.729 41.107 73.176 1 21.41 ? CG LEU A 366 1 -ATOM 2765 C CD1 . LEU A 1 366 . 21.853 39.905 72.247 1 26.47 ? CD1 LEU A 366 1 -ATOM 2766 C CD2 . LEU A 1 366 . 22.85 42.138 72.963 1 22.36 ? CD2 LEU A 366 1 -ATOM 2767 N N . GLY A 1 367 . 19.025 44.444 72.229 1 18.78 ? N GLY A 367 1 -ATOM 2768 C CA . GLY A 1 367 . 18.936 45.581 71.345 1 20.09 ? CA GLY A 367 1 -ATOM 2769 C C . GLY A 1 367 . 19.094 46.861 72.104 1 19.16 ? C GLY A 367 1 -ATOM 2770 O O . GLY A 1 367 . 19.884 47.713 71.725 1 17.49 ? O GLY A 367 1 -ATOM 2771 N N . LEU A 1 368 . 18.342 46.96 73.218 1 19.69 ? N LEU A 368 1 -ATOM 2772 C CA . LEU A 1 368 . 18.41 48.152 74.058 1 18.37 ? CA LEU A 368 1 -ATOM 2773 C C . LEU A 1 368 . 19.844 48.33 74.525 1 18.27 ? C LEU A 368 1 -ATOM 2774 O O . LEU A 1 368 . 20.426 49.409 74.485 1 15.58 ? O LEU A 368 1 -ATOM 2775 C CB . LEU A 1 368 . 17.438 48.068 75.248 1 21.93 ? CB LEU A 368 1 -ATOM 2776 C CG . LEU A 1 368 . 15.933 48.026 74.877 1 25.14 ? CG LEU A 368 1 -ATOM 2777 C CD1 . LEU A 1 368 . 15.07 47.567 76.053 1 22.66 ? CD1 LEU A 368 1 -ATOM 2778 C CD2 . LEU A 1 368 . 15.401 49.388 74.386 1 26.92 ? CD2 LEU A 368 1 -ATOM 2779 N N . ASP A 1 369 . 20.428 47.189 74.923 1 18.38 ? N ASP A 369 1 -ATOM 2780 C CA . ASP A 1 369 . 21.827 47.226 75.362 1 19.79 ? CA ASP A 369 1 -ATOM 2781 C C . ASP A 1 369 . 22.745 47.793 74.289 1 19.98 ? C ASP A 369 1 -ATOM 2782 O O . ASP A 1 369 . 23.653 48.575 74.568 1 20.06 ? O ASP A 369 1 -ATOM 2783 C CB . ASP A 1 369 . 22.362 45.826 75.703 1 20.42 ? CB ASP A 369 1 -ATOM 2784 C CG . ASP A 1 369 . 22.133 45.388 77.141 1 25.81 ? CG ASP A 369 1 -ATOM 2785 O OD1 . ASP A 1 369 . 21.345 46.014 77.858 1 28.18 ? OD1 ASP A 369 1 -ATOM 2786 O OD2 . ASP A 1 369 . 22.771 44.415 77.545 1 28.77 ? OD2 ASP A 369 1 -ATOM 2787 N N . ALA A 1 370 . 22.475 47.355 73.042 1 19.57 ? N ALA A 370 1 -ATOM 2788 C CA . ALA A 1 370 . 23.252 47.794 71.903 1 12.88 ? CA ALA A 370 1 -ATOM 2789 C C . ALA A 1 370 . 23.109 49.283 71.682 1 13.98 ? C ALA A 370 1 -ATOM 2790 O O . ALA A 1 370 . 24.088 49.947 71.36 1 17.14 ? O ALA A 370 1 -ATOM 2791 C CB . ALA A 1 370 . 22.849 47.031 70.655 1 10.17 ? CB ALA A 370 1 -ATOM 2792 N N . VAL A 1 371 . 21.89 49.808 71.859 1 13.39 ? N VAL A 371 1 -ATOM 2793 C CA . VAL A 1 371 . 21.688 51.248 71.663 1 13.99 ? CA VAL A 371 1 -ATOM 2794 C C . VAL A 1 371 . 22.48 52.053 72.704 1 14.95 ? C VAL A 371 1 -ATOM 2795 O O . VAL A 1 371 . 23.202 52.998 72.393 1 18.4 ? O VAL A 371 1 -ATOM 2796 C CB . VAL A 1 371 . 20.179 51.599 71.742 1 13.56 ? CB VAL A 371 1 -ATOM 2797 C CG1 . VAL A 1 371 . 19.924 53.103 71.535 1 9.32 ? CG1 VAL A 371 1 -ATOM 2798 C CG2 . VAL A 1 371 . 19.33 50.764 70.762 1 6.6 ? CG2 VAL A 371 1 -ATOM 2799 N N . THR A 1 372 . 22.316 51.663 73.967 1 14.34 ? N THR A 372 1 -ATOM 2800 C CA . THR A 1 372 . 23.003 52.331 75.058 1 13.68 ? CA THR A 372 1 -ATOM 2801 C C . THR A 1 372 . 24.507 52.355 74.841 1 12.35 ? C THR A 372 1 -ATOM 2802 O O . THR A 1 372 . 25.194 53.339 75.056 1 9.76 ? O THR A 372 1 -ATOM 2803 C CB . THR A 1 372 . 22.682 51.541 76.319 1 18.11 ? CB THR A 372 1 -ATOM 2804 O OG1 . THR A 1 372 . 21.272 51.359 76.415 1 21.72 ? OG1 THR A 372 1 -ATOM 2805 C CG2 . THR A 1 372 . 23.187 52.181 77.614 1 26.75 ? CG2 THR A 372 1 -ATOM 2806 N N . LEU A 1 373 . 25.014 51.219 74.372 1 12.03 ? N LEU A 373 1 -ATOM 2807 C CA . LEU A 1 373 . 26.438 51.164 74.118 1 12.19 ? CA LEU A 373 1 -ATOM 2808 C C . LEU A 1 373 . 26.899 52.318 73.242 1 15.5 ? C LEU A 373 1 -ATOM 2809 O O . LEU A 1 373 . 27.837 53.027 73.567 1 15.29 ? O LEU A 373 1 -ATOM 2810 C CB . LEU A 1 373 . 26.804 49.835 73.429 1 9.08 ? CB LEU A 373 1 -ATOM 2811 C CG . LEU A 1 373 . 28.225 49.33 73.745 1 11.38 ? CG LEU A 373 1 -ATOM 2812 C CD1 . LEU A 1 373 . 28.554 48.051 72.978 1 14.39 ? CD1 LEU A 373 1 -ATOM 2813 C CD2 . LEU A 1 373 . 29.337 50.35 73.488 1 17.82 ? CD2 LEU A 373 1 -ATOM 2814 N N . GLN A 1 374 . 26.163 52.495 72.132 1 20.44 ? N GLN A 374 1 -ATOM 2815 C CA . GLN A 1 374 . 26.528 53.529 71.166 1 21.57 ? CA GLN A 374 1 -ATOM 2816 C C . GLN A 1 374 . 26.289 54.941 71.597 1 22.18 ? C GLN A 374 1 -ATOM 2817 O O . GLN A 1 374 . 27.07 55.833 71.3 1 23 ? O GLN A 374 1 -ATOM 2818 C CB . GLN A 1 374 . 25.739 53.401 69.848 1 24.24 ? CB GLN A 374 1 -ATOM 2819 C CG . GLN A 1 374 . 25.628 51.987 69.285 1 33.24 ? CG GLN A 374 1 -ATOM 2820 C CD . GLN A 1 374 . 26.957 51.458 68.79 1 39.05 ? CD GLN A 374 1 -ATOM 2821 O OE1 . GLN A 1 374 . 27.753 52.173 68.192 1 42.09 ? OE1 GLN A 374 1 -ATOM 2822 N NE2 . GLN A 1 374 . 27.159 50.156 69.011 1 39.02 ? NE2 GLN A 374 1 -ATOM 2823 N N . TYR A 1 375 . 25.159 55.138 72.272 1 20.75 ? N TYR A 375 1 -ATOM 2824 C CA . TYR A 1 375 . 24.832 56.505 72.658 1 22.88 ? CA TYR A 375 1 -ATOM 2825 C C . TYR A 1 375 . 25.365 56.972 74.005 1 25.42 ? C TYR A 375 1 -ATOM 2826 O O . TYR A 1 375 . 25.221 58.143 74.345 1 26.36 ? O TYR A 375 1 -ATOM 2827 C CB . TYR A 1 375 . 23.308 56.706 72.501 1 22.55 ? CB TYR A 375 1 -ATOM 2828 C CG . TYR A 1 375 . 22.939 56.796 71.029 1 24.01 ? CG TYR A 375 1 -ATOM 2829 C CD1 . TYR A 1 375 . 22.995 58.053 70.382 1 21.13 ? CD1 TYR A 375 1 -ATOM 2830 C CD2 . TYR A 1 375 . 22.608 55.639 70.277 1 20.1 ? CD2 TYR A 375 1 -ATOM 2831 C CE1 . TYR A 1 375 . 22.734 58.162 69.013 1 16.38 ? CE1 TYR A 375 1 -ATOM 2832 C CE2 . TYR A 1 375 . 22.344 55.752 68.898 1 13.81 ? CE2 TYR A 375 1 -ATOM 2833 C CZ . TYR A 1 375 . 22.4 57.021 68.275 1 17.25 ? CZ TYR A 375 1 -ATOM 2834 O OH . TYR A 1 375 . 22.11 57.194 66.939 1 18.33 ? OH TYR A 375 1 -ATOM 2835 N N . THR A 1 376 . 25.972 56.094 74.795 1 27.14 ? N THR A 376 1 -ATOM 2836 C CA . THR A 1 376 . 26.466 56.558 76.079 1 26.81 ? CA THR A 376 1 -ATOM 2837 C C . THR A 1 376 . 27.95 56.896 76.026 1 30 ? C THR A 376 1 -ATOM 2838 O O . THR A 1 376 . 28.788 56.256 75.401 1 32.19 ? O THR A 376 1 -ATOM 2839 C CB . THR A 1 376 . 26.248 55.429 77.102 1 24.27 ? CB THR A 376 1 -ATOM 2840 O OG1 . THR A 1 376 . 24.848 55.183 77.221 1 26.14 ? OG1 THR A 376 1 -ATOM 2841 C CG2 . THR A 1 376 . 26.772 55.689 78.525 1 26.13 ? CG2 THR A 376 1 -ATOM 2842 N N . ASP A 1 377 . 28.267 57.974 76.756 1 32.9 ? N ASP A 377 1 -ATOM 2843 C CA . ASP A 1 377 . 29.663 58.373 76.884 1 33.12 ? CA ASP A 377 1 -ATOM 2844 C C . ASP A 1 377 . 30.088 57.62 78.138 1 33.75 ? C ASP A 377 1 -ATOM 2845 O O . ASP A 1 377 . 29.853 58.093 79.246 1 35.52 ? O ASP A 377 1 -ATOM 2846 C CB . ASP A 1 377 . 29.821 59.888 77.099 1 29.45 ? CB ASP A 377 1 -ATOM 2847 C CG . ASP A 1 377 . 31.259 60.278 77.411 1 32.39 ? CG ASP A 377 1 -ATOM 2848 O OD1 . ASP A 1 377 . 32.052 59.407 77.779 1 31.09 ? OD1 ASP A 377 1 -ATOM 2849 O OD2 . ASP A 1 377 . 31.587 61.456 77.284 1 36.13 ? OD2 ASP A 377 1 -ATOM 2850 N N . TRP A 1 378 . 30.724 56.467 77.964 1 33.67 ? N TRP A 378 1 -ATOM 2851 C CA . TRP A 1 378 . 31.115 55.677 79.118 1 32.74 ? CA TRP A 378 1 -ATOM 2852 C C . TRP A 1 378 . 32.033 56.368 80.072 1 35.4 ? C TRP A 378 1 -ATOM 2853 O O . TRP A 1 378 . 32.005 56.047 81.25 1 38.33 ? O TRP A 378 1 -ATOM 2854 C CB . TRP A 1 378 . 31.63 54.292 78.729 1 34.03 ? CB TRP A 378 1 -ATOM 2855 C CG . TRP A 1 378 . 30.471 53.588 78.076 1 34.63 ? CG TRP A 378 1 -ATOM 2856 C CD1 . TRP A 1 378 . 30.183 53.518 76.694 1 35.42 ? CD1 TRP A 378 1 -ATOM 2857 C CD2 . TRP A 1 378 . 29.417 52.973 78.756 1 33.28 ? CD2 TRP A 378 1 -ATOM 2858 N NE1 . TRP A 1 378 . 29 52.899 76.494 1 35.74 ? NE1 TRP A 378 1 -ATOM 2859 C CE2 . TRP A 1 378 . 28.471 52.533 77.709 1 34.52 ? CE2 TRP A 378 1 -ATOM 2860 C CE3 . TRP A 1 378 . 29.112 52.79 80.102 1 32.54 ? CE3 TRP A 378 1 -ATOM 2861 C CZ2 . TRP A 1 378 . 27.263 51.928 78.09 1 33.96 ? CZ2 TRP A 378 1 -ATOM 2862 C CZ3 . TRP A 1 378 . 27.891 52.181 80.439 1 37.5 ? CZ3 TRP A 378 1 -ATOM 2863 C CH2 . TRP A 1 378 . 26.978 51.757 79.451 1 33.89 ? CH2 TRP A 378 1 -ATOM 2864 N N . MET A 1 379 . 32.825 57.343 79.609 1 35.43 ? N MET A 379 1 -ATOM 2865 C CA . MET A 1 379 . 33.697 58.015 80.583 1 38.11 ? CA MET A 379 1 -ATOM 2866 C C . MET A 1 379 . 33.006 59.171 81.323 1 37.63 ? C MET A 379 1 -ATOM 2867 O O . MET A 1 379 . 33.621 60.03 81.937 1 37.01 ? O MET A 379 1 -ATOM 2868 C CB . MET A 1 379 . 34.997 58.503 79.946 1 39.47 ? CB MET A 379 1 -ATOM 2869 C CG . MET A 1 379 . 36.089 58.677 81.013 1 48.58 ? CG MET A 379 1 -ATOM 2870 S SD . MET A 1 379 . 37.63 59.176 80.217 1 60.48 ? SD MET A 379 1 -ATOM 2871 C CE . MET A 1 379 . 38.186 57.574 79.529 1 60.32 ? CE MET A 379 1 -ATOM 2872 N N . ASP A 1 380 . 31.684 59.21 81.242 1 37.26 ? N ASP A 380 1 -ATOM 2873 C CA . ASP A 1 380 . 30.95 60.276 81.901 1 35.2 ? CA ASP A 380 1 -ATOM 2874 C C . ASP A 1 380 . 29.496 59.852 82.031 1 36.78 ? C ASP A 380 1 -ATOM 2875 O O . ASP A 1 380 . 28.558 60.633 82.001 1 36.31 ? O ASP A 380 1 -ATOM 2876 C CB . ASP A 1 380 . 31.085 61.573 81.08 1 37.41 ? CB ASP A 380 1 -ATOM 2877 C CG . ASP A 1 380 . 30.946 62.833 81.916 1 42.24 ? CG ASP A 380 1 -ATOM 2878 O OD1 . ASP A 1 380 . 30.115 62.841 82.818 1 44.95 ? OD1 ASP A 380 1 -ATOM 2879 O OD2 . ASP A 1 380 . 31.68 63.796 81.681 1 46.59 ? OD2 ASP A 380 1 -ATOM 2880 N N . ASP A 1 381 . 29.362 58.537 82.159 1 39.63 ? N ASP A 381 1 -ATOM 2881 C CA . ASP A 1 381 . 28.137 57.774 82.303 1 41.26 ? CA ASP A 381 1 -ATOM 2882 C C . ASP A 1 381 . 26.898 58.498 82.853 1 40.3 ? C ASP A 381 1 -ATOM 2883 O O . ASP A 1 381 . 25.862 58.482 82.204 1 41.14 ? O ASP A 381 1 -ATOM 2884 C CB . ASP A 1 381 . 28.52 56.477 83.058 1 44.63 ? CB ASP A 381 1 -ATOM 2885 C CG . ASP A 1 381 . 27.429 55.697 83.761 1 53.35 ? CG ASP A 381 1 -ATOM 2886 O OD1 . ASP A 1 381 . 26.283 55.738 83.316 1 56.74 ? OD1 ASP A 381 1 -ATOM 2887 O OD2 . ASP A 1 381 . 27.743 55.043 84.76 1 59.44 ? OD2 ASP A 381 1 -ATOM 2888 N N . ASN A 1 382 . 27.006 59.118 84.031 1 42.03 ? N ASN A 382 1 -ATOM 2889 C CA . ASN A 1 382 . 25.865 59.779 84.67 1 41.65 ? CA ASN A 382 1 -ATOM 2890 C C . ASN A 1 382 . 25.642 61.248 84.35 1 42 ? C ASN A 382 1 -ATOM 2891 O O . ASN A 1 382 . 24.947 61.916 85.107 1 45.11 ? O ASN A 382 1 -ATOM 2892 C CB . ASN A 1 382 . 26.124 59.744 86.202 1 39.34 ? CB ASN A 382 1 -ATOM 2893 N N . ASN A 1 383 . 26.225 61.785 83.267 1 41.46 ? N ASN A 383 1 -ATOM 2894 C CA . ASN A 1 383 . 26.01 63.225 83.006 1 35.71 ? CA ASN A 383 1 -ATOM 2895 C C . ASN A 1 383 . 24.62 63.545 82.472 1 33.59 ? C ASN A 383 1 -ATOM 2896 O O . ASN A 1 383 . 24.279 63.254 81.336 1 38.41 ? O ASN A 383 1 -ATOM 2897 C CB . ASN A 1 383 . 27.083 63.795 82.076 1 31.38 ? CB ASN A 383 1 -ATOM 2898 C CG . ASN A 1 383 . 26.928 65.278 81.831 1 32.86 ? CG ASN A 383 1 -ATOM 2899 O OD1 . ASN A 1 383 . 25.842 65.826 81.848 1 35.62 ? OD1 ASN A 383 1 -ATOM 2900 N ND2 . ASN A 1 383 . 28.04 65.962 81.597 1 33.67 ? ND2 ASN A 383 1 -ATOM 2901 N N . GLY A 1 384 . 23.85 64.252 83.289 1 30.8 ? N GLY A 384 1 -ATOM 2902 C CA . GLY A 1 384 . 22.496 64.597 82.893 1 27.25 ? CA GLY A 384 1 -ATOM 2903 C C . GLY A 1 384 . 22.328 65.341 81.593 1 22.82 ? C GLY A 384 1 -ATOM 2904 O O . GLY A 1 384 . 21.356 65.15 80.884 1 24.91 ? O GLY A 384 1 -ATOM 2905 N N . ILE A 1 385 . 23.257 66.223 81.275 1 19.5 ? N ILE A 385 1 -ATOM 2906 C CA . ILE A 1 385 . 23.151 66.941 80.018 1 21.44 ? CA ILE A 385 1 -ATOM 2907 C C . ILE A 1 385 . 23.415 65.938 78.883 1 21.19 ? C ILE A 385 1 -ATOM 2908 O O . ILE A 1 385 . 22.682 65.776 77.911 1 22.17 ? O ILE A 385 1 -ATOM 2909 C CB . ILE A 1 385 . 24.161 68.106 80.037 1 22.64 ? CB ILE A 385 1 -ATOM 2910 C CG1 . ILE A 1 385 . 23.678 69.272 80.907 1 25.55 ? CG1 ILE A 385 1 -ATOM 2911 C CG2 . ILE A 1 385 . 24.55 68.612 78.65 1 26.15 ? CG2 ILE A 385 1 -ATOM 2912 C CD1 . ILE A 1 385 . 22.582 70.084 80.198 1 31.32 ? CD1 ILE A 385 1 -ATOM 2913 N N . LYS A 1 386 . 24.507 65.208 79.051 1 19.41 ? N LYS A 386 1 -ATOM 2914 C CA . LYS A 1 386 . 24.846 64.229 78.03 1 16.41 ? CA LYS A 386 1 -ATOM 2915 C C . LYS A 1 386 . 23.746 63.214 77.802 1 15.5 ? C LYS A 386 1 -ATOM 2916 O O . LYS A 1 386 . 23.52 62.748 76.696 1 19.02 ? O LYS A 386 1 -ATOM 2917 C CB . LYS A 1 386 . 26.163 63.511 78.355 1 15.67 ? CB LYS A 386 1 -ATOM 2918 C CG . LYS A 1 386 . 27.363 64.47 78.269 1 13.97 ? CG LYS A 386 1 -ATOM 2919 C CD . LYS A 1 386 . 28.705 63.748 78.404 1 22.76 ? CD LYS A 386 1 -ATOM 2920 C CE . LYS A 1 386 . 29.899 64.709 78.258 1 29.85 ? CE LYS A 386 1 -ATOM 2921 N NZ . LYS A 1 386 . 31.167 63.988 78.174 1 32.24 ? NZ LYS A 386 1 -ATOM 2922 N N . ASN A 1 387 . 23.045 62.872 78.863 1 14.39 ? N ASN A 387 1 -ATOM 2923 C CA . ASN A 1 387 . 21.969 61.905 78.713 1 15.86 ? CA ASN A 387 1 -ATOM 2924 C C . ASN A 1 387 . 20.782 62.521 78.022 1 15.13 ? C ASN A 387 1 -ATOM 2925 O O . ASN A 1 387 . 20.085 61.866 77.261 1 17.02 ? O ASN A 387 1 -ATOM 2926 C CB . ASN A 1 387 . 21.521 61.34 80.07 1 21.64 ? CB ASN A 387 1 -ATOM 2927 C CG . ASN A 1 387 . 22.53 60.443 80.766 1 28.33 ? CG ASN A 387 1 -ATOM 2928 O OD1 . ASN A 1 387 . 22.41 60.183 81.952 1 35.96 ? OD1 ASN A 387 1 -ATOM 2929 N ND2 . ASN A 1 387 . 23.541 59.943 80.033 1 29.77 ? ND2 ASN A 387 1 -ATOM 2930 N N . ARG A 1 388 . 20.558 63.808 78.281 1 11.15 ? N ARG A 388 1 -ATOM 2931 C CA . ARG A 1 388 . 19.43 64.467 77.645 1 11.5 ? CA ARG A 388 1 -ATOM 2932 C C . ARG A 1 388 . 19.648 64.479 76.139 1 13.43 ? C ARG A 388 1 -ATOM 2933 O O . ARG A 1 388 . 18.815 64.11 75.308 1 10.98 ? O ARG A 388 1 -ATOM 2934 C CB . ARG A 1 388 . 19.34 65.916 78.167 1 9.27 ? CB ARG A 388 1 -ATOM 2935 C CG . ARG A 1 388 . 18.216 66.78 77.556 1 7.23 ? CG ARG A 388 1 -ATOM 2936 C CD . ARG A 1 388 . 18.418 68.277 77.829 1 10.14 ? CD ARG A 388 1 -ATOM 2937 N NE . ARG A 1 388 . 19.677 68.697 77.262 1 9.96 ? NE ARG A 388 1 -ATOM 2938 C CZ . ARG A 1 388 . 20.276 69.841 77.586 1 14.29 ? CZ ARG A 388 1 -ATOM 2939 N NH1 . ARG A 1 388 . 19.71 70.708 78.412 1 19.41 ? NH1 ARG A 388 1 -ATOM 2940 N NH2 . ARG A 1 388 . 21.468 70.114 77.068 1 21.28 ? NH2 ARG A 388 1 -ATOM 2941 N N . ASP A 1 389 . 20.858 64.938 75.812 1 10.11 ? N ASP A 389 1 -ATOM 2942 C CA . ASP A 1 389 . 21.227 65.033 74.418 1 6.98 ? CA ASP A 389 1 -ATOM 2943 C C . ASP A 1 389 . 21.295 63.682 73.756 1 6.78 ? C ASP A 389 1 -ATOM 2944 O O . ASP A 1 389 . 20.832 63.526 72.638 1 11.27 ? O ASP A 389 1 -ATOM 2945 C CB . ASP A 1 389 . 22.537 65.804 74.258 1 11.29 ? CB ASP A 389 1 -ATOM 2946 C CG . ASP A 1 389 . 22.402 67.288 74.636 1 17.29 ? CG ASP A 389 1 -ATOM 2947 O OD1 . ASP A 1 389 . 21.275 67.756 74.811 1 17.15 ? OD1 ASP A 389 1 -ATOM 2948 O OD2 . ASP A 1 389 . 23.423 67.979 74.735 1 17.35 ? OD2 ASP A 389 1 -ATOM 2949 N N . GLY A 1 390 . 21.829 62.673 74.429 1 3.73 ? N GLY A 390 1 -ATOM 2950 C CA . GLY A 1 390 . 21.891 61.375 73.763 1 6.75 ? CA GLY A 390 1 -ATOM 2951 C C . GLY A 1 390 . 20.517 60.854 73.369 1 11.44 ? C GLY A 390 1 -ATOM 2952 O O . GLY A 1 390 . 20.28 60.3 72.303 1 18.6 ? O GLY A 390 1 -ATOM 2953 N N . LEU A 1 391 . 19.56 61.102 74.239 1 12.73 ? N LEU A 391 1 -ATOM 2954 C CA . LEU A 1 391 . 18.21 60.633 73.972 1 13.42 ? CA LEU A 391 1 -ATOM 2955 C C . LEU A 1 391 . 17.604 61.378 72.8 1 12.34 ? C LEU A 391 1 -ATOM 2956 O O . LEU A 1 391 . 16.874 60.877 71.957 1 11.07 ? O LEU A 391 1 -ATOM 2957 C CB . LEU A 1 391 . 17.431 60.825 75.281 1 17.09 ? CB LEU A 391 1 -ATOM 2958 C CG . LEU A 1 391 . 16.427 59.725 75.627 1 15.61 ? CG LEU A 391 1 -ATOM 2959 C CD1 . LEU A 1 391 . 17.014 58.315 75.658 1 20.05 ? CD1 LEU A 391 1 -ATOM 2960 C CD2 . LEU A 1 391 . 15.854 60.061 76.993 1 18.22 ? CD2 LEU A 391 1 -ATOM 2961 N N . ASP A 1 392 . 17.964 62.645 72.739 1 13.63 ? N ASP A 392 1 -ATOM 2962 C CA . ASP A 1 392 . 17.482 63.48 71.651 1 16.96 ? CA ASP A 392 1 -ATOM 2963 C C . ASP A 1 392 . 18.015 62.979 70.298 1 21 ? C ASP A 392 1 -ATOM 2964 O O . ASP A 1 392 . 17.426 63.204 69.238 1 25.56 ? O ASP A 392 1 -ATOM 2965 C CB . ASP A 1 392 . 17.897 64.926 71.935 1 22.14 ? CB ASP A 392 1 -ATOM 2966 C CG . ASP A 1 392 . 17.358 65.901 70.91 1 25.9 ? CG ASP A 392 1 -ATOM 2967 O OD1 . ASP A 1 392 . 17.973 66.037 69.857 1 33.47 ? OD1 ASP A 392 1 -ATOM 2968 O OD2 . ASP A 1 392 . 16.335 66.521 71.162 1 26.93 ? OD2 ASP A 392 1 -ATOM 2969 N N . ASP A 1 393 . 19.156 62.283 70.341 1 19.36 ? N ASP A 393 1 -ATOM 2970 C CA . ASP A 1 393 . 19.713 61.75 69.109 1 14.77 ? CA ASP A 393 1 -ATOM 2971 C C . ASP A 1 393 . 19.246 60.355 68.865 1 16.13 ? C ASP A 393 1 -ATOM 2972 O O . ASP A 1 393 . 19.321 59.871 67.745 1 15.95 ? O ASP A 393 1 -ATOM 2973 C CB . ASP A 1 393 . 21.224 61.641 69.157 1 16.7 ? CB ASP A 393 1 -ATOM 2974 C CG . ASP A 1 393 . 21.909 62.97 69.052 1 20.9 ? CG ASP A 393 1 -ATOM 2975 O OD1 . ASP A 1 393 . 21.285 63.912 68.572 1 28.23 ? OD1 ASP A 393 1 -ATOM 2976 O OD2 . ASP A 1 393 . 23.076 63.058 69.438 1 28.4 ? OD2 ASP A 393 1 -ATOM 2977 N N . ILE A 1 394 . 18.806 59.67 69.917 1 16.81 ? N ILE A 394 1 -ATOM 2978 C CA . ILE A 1 394 . 18.326 58.32 69.686 1 14.79 ? CA ILE A 394 1 -ATOM 2979 C C . ILE A 1 394 . 17.034 58.468 68.911 1 14.4 ? C ILE A 394 1 -ATOM 2980 O O . ILE A 1 394 . 16.827 57.899 67.848 1 15.07 ? O ILE A 394 1 -ATOM 2981 C CB . ILE A 1 394 . 18.197 57.526 71.02 1 9.94 ? CB ILE A 394 1 -ATOM 2982 C CG1 . ILE A 1 394 . 19.6 57.171 71.545 1 9.43 ? CG1 ILE A 394 1 -ATOM 2983 C CG2 . ILE A 1 394 . 17.36 56.246 70.892 1 3.78 ? CG2 ILE A 394 1 -ATOM 2984 C CD1 . ILE A 1 394 . 19.62 56.444 72.895 1 11.88 ? CD1 ILE A 394 1 -ATOM 2985 N N . VAL A 1 395 . 16.159 59.314 69.44 1 17.14 ? N VAL A 395 1 -ATOM 2986 C CA . VAL A 1 395 . 14.882 59.476 68.762 1 16.27 ? CA VAL A 395 1 -ATOM 2987 C C . VAL A 1 395 . 15.066 59.986 67.326 1 18.15 ? C VAL A 395 1 -ATOM 2988 O O . VAL A 1 395 . 14.518 59.477 66.36 1 17.08 ? O VAL A 395 1 -ATOM 2989 C CB . VAL A 1 395 . 13.981 60.346 69.672 1 13.18 ? CB VAL A 395 1 -ATOM 2990 C CG1 . VAL A 1 395 . 12.546 60.519 69.153 1 12.93 ? CG1 VAL A 395 1 -ATOM 2991 C CG2 . VAL A 1 395 . 13.926 59.757 71.097 1 6.53 ? CG2 VAL A 395 1 -ATOM 2992 N N . GLY A 1 396 . 15.891 61.009 67.18 1 21.58 ? N GLY A 396 1 -ATOM 2993 C CA . GLY A 1 396 . 16.084 61.55 65.844 1 18.28 ? CA GLY A 396 1 -ATOM 2994 C C . GLY A 1 396 . 16.695 60.588 64.847 1 16.4 ? C GLY A 396 1 -ATOM 2995 O O . GLY A 1 396 . 16.185 60.406 63.751 1 23.24 ? O GLY A 396 1 -ATOM 2996 N N . ASP A 1 397 . 17.805 59.961 65.219 1 12.43 ? N ASP A 397 1 -ATOM 2997 C CA . ASP A 1 397 . 18.447 59.048 64.289 1 3.45 ? CA ASP A 397 1 -ATOM 2998 C C . ASP A 1 397 . 17.594 57.853 63.993 1 5.71 ? C ASP A 397 1 -ATOM 2999 O O . ASP A 1 397 . 17.481 57.433 62.852 1 11.98 ? O ASP A 397 1 -ATOM 3000 C CB . ASP A 1 397 . 19.799 58.569 64.821 1 2.73 ? CB ASP A 397 1 -ATOM 3001 C CG . ASP A 1 397 . 20.775 59.713 65.035 1 7.64 ? CG ASP A 397 1 -ATOM 3002 O OD1 . ASP A 1 397 . 20.479 60.845 64.65 1 6.63 ? OD1 ASP A 397 1 -ATOM 3003 O OD2 . ASP A 1 397 . 21.844 59.477 65.595 1 10.63 ? OD2 ASP A 397 1 -ATOM 3004 N N . HIS A 1 398 . 16.974 57.304 65.016 1 5.99 ? N HIS A 398 1 -ATOM 3005 C CA . HIS A 1 398 . 16.16 56.141 64.764 1 8.08 ? CA HIS A 398 1 -ATOM 3006 C C . HIS A 1 398 . 14.946 56.444 63.901 1 12.21 ? C HIS A 398 1 -ATOM 3007 O O . HIS A 1 398 . 14.656 55.722 62.959 1 17.17 ? O HIS A 398 1 -ATOM 3008 C CB . HIS A 1 398 . 15.656 55.541 66.098 1 5.36 ? CB HIS A 398 1 -ATOM 3009 C CG . HIS A 1 398 . 14.66 54.405 65.892 1 3.31 ? CG HIS A 398 1 -ATOM 3010 N ND1 . HIS A 1 398 . 14.967 53.237 65.314 1 2 ? ND1 HIS A 398 1 -ATOM 3011 C CD2 . HIS A 1 398 . 13.281 54.365 66.23 1 5.16 ? CD2 HIS A 398 1 -ATOM 3012 C CE1 . HIS A 1 398 . 13.84 52.506 65.297 1 2.44 ? CE1 HIS A 398 1 -ATOM 3013 N NE2 . HIS A 1 398 . 12.802 53.16 65.843 1 2 ? NE2 HIS A 398 1 -ATOM 3014 N N . ASN A 1 399 . 14.251 57.533 64.234 1 11.6 ? N ASN A 399 1 -ATOM 3015 C CA . ASN A 1 399 . 13 57.822 63.527 1 11.44 ? CA ASN A 399 1 -ATOM 3016 C C . ASN A 1 399 . 12.992 58.748 62.33 1 10.94 ? C ASN A 399 1 -ATOM 3017 O O . ASN A 1 399 . 11.989 58.763 61.629 1 11.39 ? O ASN A 399 1 -ATOM 3018 C CB . ASN A 1 399 . 11.987 58.485 64.48 1 13.59 ? CB ASN A 399 1 -ATOM 3019 C CG . ASN A 1 399 . 11.643 57.649 65.659 1 12.03 ? CG ASN A 399 1 -ATOM 3020 O OD1 . ASN A 1 399 . 10.74 56.841 65.605 1 7.86 ? OD1 ASN A 399 1 -ATOM 3021 N ND2 . ASN A 1 399 . 12.376 57.852 66.74 1 16.18 ? ND2 ASN A 399 1 -ATOM 3022 N N . VAL A 1 400 . 14.027 59.553 62.106 1 8.13 ? N VAL A 400 1 -ATOM 3023 C CA . VAL A 1 400 . 13.945 60.448 60.962 1 6.64 ? CA VAL A 400 1 -ATOM 3024 C C . VAL A 1 400 . 15.215 60.433 60.133 1 11.94 ? C VAL A 400 1 -ATOM 3025 O O . VAL A 1 400 . 15.197 60.192 58.936 1 19.91 ? O VAL A 400 1 -ATOM 3026 C CB . VAL A 1 400 . 13.629 61.87 61.447 1 2 ? CB VAL A 400 1 -ATOM 3027 C CG1 . VAL A 1 400 . 13.447 62.823 60.272 1 9.1 ? CG1 VAL A 400 1 -ATOM 3028 C CG2 . VAL A 1 400 . 12.362 61.916 62.321 1 2 ? CG2 VAL A 400 1 -ATOM 3029 N N . ILE A 1 401 . 16.354 60.678 60.767 1 12.04 ? N ILE A 401 1 -ATOM 3030 C CA . ILE A 1 401 . 17.569 60.715 59.961 1 10.1 ? CA ILE A 401 1 -ATOM 3031 C C . ILE A 1 401 . 17.938 59.398 59.349 1 11.78 ? C ILE A 401 1 -ATOM 3032 O O . ILE A 1 401 . 18.093 59.291 58.145 1 18.25 ? O ILE A 401 1 -ATOM 3033 C CB . ILE A 1 401 . 18.755 61.335 60.721 1 8.29 ? CB ILE A 401 1 -ATOM 3034 C CG1 . ILE A 1 401 . 18.295 62.654 61.372 1 3.74 ? CG1 ILE A 401 1 -ATOM 3035 C CG2 . ILE A 1 401 . 19.984 61.535 59.814 1 8.02 ? CG2 ILE A 401 1 -ATOM 3036 C CD1 . ILE A 1 401 . 19.433 63.514 61.913 1 2 ? CD1 ILE A 401 1 -ATOM 3037 N N . CYS A 1 402 . 18.088 58.365 60.152 1 13.62 ? N CYS A 402 1 -ATOM 3038 C CA . CYS A 1 402 . 18.495 57.121 59.506 1 14.5 ? CA CYS A 402 1 -ATOM 3039 C C . CYS A 1 402 . 17.572 56.533 58.45 1 13.22 ? C CYS A 402 1 -ATOM 3040 O O . CYS A 1 402 . 18.124 56.12 57.438 1 19.78 ? O CYS A 402 1 -ATOM 3041 C CB . CYS A 1 402 . 19.014 56.084 60.477 1 11.32 ? CB CYS A 402 1 -ATOM 3042 S SG . CYS A 1 402 . 20.385 56.807 61.425 1 15.97 ? SG CYS A 402 1 -ATOM 3043 N N . PRO A 1 403 . 16.235 56.464 58.6 1 8.93 ? N PRO A 403 1 -ATOM 3044 C CA . PRO A 1 403 . 15.429 55.964 57.494 1 10.79 ? CA PRO A 403 1 -ATOM 3045 C C . PRO A 1 403 . 15.525 56.854 56.245 1 12.36 ? C PRO A 403 1 -ATOM 3046 O O . PRO A 1 403 . 15.529 56.351 55.119 1 14.53 ? O PRO A 403 1 -ATOM 3047 C CB . PRO A 1 403 . 14.006 55.757 58.043 1 6.7 ? CB PRO A 403 1 -ATOM 3048 C CG . PRO A 1 403 . 14.02 56.382 59.436 1 11.2 ? CG PRO A 403 1 -ATOM 3049 C CD . PRO A 1 403 . 15.491 56.629 59.826 1 10.36 ? CD PRO A 403 1 -ATOM 3050 N N . LEU A 1 404 . 15.628 58.175 56.465 1 11.19 ? N LEU A 404 1 -ATOM 3051 C CA . LEU A 1 404 . 15.735 59.087 55.32 1 9.91 ? CA LEU A 404 1 -ATOM 3052 C C . LEU A 1 404 . 17.004 58.797 54.535 1 13.85 ? C LEU A 404 1 -ATOM 3053 O O . LEU A 1 404 . 17.003 58.677 53.314 1 16.68 ? O LEU A 404 1 -ATOM 3054 C CB . LEU A 1 404 . 15.669 60.553 55.77 1 5.07 ? CB LEU A 404 1 -ATOM 3055 C CG . LEU A 1 404 . 15.739 61.585 54.627 1 2.5 ? CG LEU A 404 1 -ATOM 3056 C CD1 . LEU A 1 404 . 14.649 62.656 54.746 1 2 ? CD1 LEU A 404 1 -ATOM 3057 C CD2 . LEU A 1 404 . 17.12 62.247 54.544 1 6.97 ? CD2 LEU A 404 1 -ATOM 3058 N N . MET A 1 405 . 18.117 58.637 55.263 1 12 ? N MET A 405 1 -ATOM 3059 C CA . MET A 1 405 . 19.348 58.326 54.539 1 10.39 ? CA MET A 405 1 -ATOM 3060 C C . MET A 1 405 . 19.229 57.001 53.802 1 10.1 ? C MET A 405 1 -ATOM 3061 O O . MET A 1 405 . 19.838 56.745 52.774 1 12.42 ? O MET A 405 1 -ATOM 3062 C CB . MET A 1 405 . 20.552 58.236 55.476 1 6.38 ? CB MET A 405 1 -ATOM 3063 C CG . MET A 1 405 . 20.791 59.55 56.205 1 8.23 ? CG MET A 405 1 -ATOM 3064 S SD . MET A 1 405 . 21.08 60.867 55.011 1 9.64 ? SD MET A 405 1 -ATOM 3065 C CE . MET A 1 405 . 22.706 60.365 54.398 1 6.69 ? CE MET A 405 1 -ATOM 3066 N N . HIS A 1 406 . 18.421 56.121 54.352 1 8.78 ? N HIS A 406 1 -ATOM 3067 C CA . HIS A 1 406 . 18.273 54.847 53.674 1 14.38 ? CA HIS A 406 1 -ATOM 3068 C C . HIS A 1 406 . 17.589 55.083 52.331 1 17.53 ? C HIS A 406 1 -ATOM 3069 O O . HIS A 1 406 . 18.028 54.641 51.274 1 22.81 ? O HIS A 406 1 -ATOM 3070 C CB . HIS A 1 406 . 17.449 53.885 54.554 1 14.21 ? CB HIS A 406 1 -ATOM 3071 C CG . HIS A 1 406 . 17.406 52.506 53.951 1 11.97 ? CG HIS A 406 1 -ATOM 3072 N ND1 . HIS A 1 406 . 18.492 51.722 53.819 1 8.45 ? ND1 HIS A 406 1 -ATOM 3073 C CD2 . HIS A 1 406 . 16.284 51.813 53.44 1 10.64 ? CD2 HIS A 406 1 -ATOM 3074 C CE1 . HIS A 1 406 . 18.058 50.585 53.25 1 10.91 ? CE1 HIS A 406 1 -ATOM 3075 N NE2 . HIS A 1 406 . 16.734 50.62 53.012 1 7.82 ? NE2 HIS A 406 1 -ATOM 3076 N N . PHE A 1 407 . 16.493 55.848 52.405 1 17.65 ? N PHE A 407 1 -ATOM 3077 C CA . PHE A 1 407 . 15.696 56.164 51.206 1 14.69 ? CA PHE A 407 1 -ATOM 3078 C C . PHE A 1 407 . 16.547 56.83 50.161 1 14.22 ? C PHE A 407 1 -ATOM 3079 O O . PHE A 1 407 . 16.575 56.427 49.013 1 17.34 ? O PHE A 407 1 -ATOM 3080 C CB . PHE A 1 407 . 14.542 57.078 51.605 1 12.33 ? CB PHE A 407 1 -ATOM 3081 C CG . PHE A 1 407 . 13.625 57.489 50.499 1 3.35 ? CG PHE A 407 1 -ATOM 3082 C CD1 . PHE A 1 407 . 12.684 56.579 50.008 1 5.65 ? CD1 PHE A 407 1 -ATOM 3083 C CD2 . PHE A 1 407 . 13.668 58.801 50.002 1 6.05 ? CD2 PHE A 407 1 -ATOM 3084 C CE1 . PHE A 1 407 . 11.771 56.991 49.026 1 8.33 ? CE1 PHE A 407 1 -ATOM 3085 C CE2 . PHE A 1 407 . 12.757 59.209 49.016 1 9.1 ? CE2 PHE A 407 1 -ATOM 3086 C CZ . PHE A 1 407 . 11.805 58.305 48.524 1 4.46 ? CZ PHE A 407 1 -ATOM 3087 N N . VAL A 1 408 . 17.279 57.849 50.591 1 12.31 ? N VAL A 408 1 -ATOM 3088 C CA . VAL A 1 408 . 18.151 58.552 49.671 1 9.26 ? CA VAL A 408 1 -ATOM 3089 C C . VAL A 1 408 . 19.09 57.619 48.972 1 11.77 ? C VAL A 408 1 -ATOM 3090 O O . VAL A 1 408 . 19.218 57.638 47.761 1 17.89 ? O VAL A 408 1 -ATOM 3091 C CB . VAL A 1 408 . 18.942 59.613 50.439 1 5.68 ? CB VAL A 408 1 -ATOM 3092 C CG1 . VAL A 1 408 . 20.075 60.236 49.642 1 4.05 ? CG1 VAL A 408 1 -ATOM 3093 C CG2 . VAL A 1 408 . 17.982 60.718 50.857 1 15.34 ? CG2 VAL A 408 1 -ATOM 3094 N N . ASN A 1 409 . 19.735 56.759 49.738 1 11.92 ? N ASN A 409 1 -ATOM 3095 C CA . ASN A 1 409 . 20.667 55.896 49.049 1 11.95 ? CA ASN A 409 1 -ATOM 3096 C C . ASN A 1 409 . 20.016 54.975 48.085 1 13.78 ? C ASN A 409 1 -ATOM 3097 O O . ASN A 1 409 . 20.558 54.718 47.022 1 17.57 ? O ASN A 409 1 -ATOM 3098 C CB . ASN A 1 409 . 21.513 55.093 50.01 1 17.99 ? CB ASN A 409 1 -ATOM 3099 C CG . ASN A 1 409 . 22.596 56.014 50.523 1 27.06 ? CG ASN A 409 1 -ATOM 3100 O OD1 . ASN A 1 409 . 23.575 56.287 49.842 1 31.47 ? OD1 ASN A 409 1 -ATOM 3101 N ND2 . ASN A 1 409 . 22.413 56.505 51.746 1 30.06 ? ND2 ASN A 409 1 -ATOM 3102 N N . LYS A 1 410 . 18.847 54.458 48.435 1 14.56 ? N LYS A 410 1 -ATOM 3103 C CA . LYS A 1 410 . 18.255 53.555 47.45 1 17 ? CA LYS A 410 1 -ATOM 3104 C C . LYS A 1 410 . 17.628 54.304 46.266 1 17.5 ? C LYS A 410 1 -ATOM 3105 O O . LYS A 1 410 . 17.487 53.799 45.165 1 19.56 ? O LYS A 410 1 -ATOM 3106 C CB . LYS A 1 410 . 17.248 52.611 48.122 1 20.71 ? CB LYS A 410 1 -ATOM 3107 C CG . LYS A 1 410 . 17.908 51.718 49.185 1 20.55 ? CG LYS A 410 1 -ATOM 3108 C CD . LYS A 1 410 . 17.452 50.251 49.115 1 26.51 ? CD LYS A 410 1 -ATOM 3109 C CE . LYS A 1 410 . 18.611 49.238 49.018 1 29.06 ? CE LYS A 410 1 -ATOM 3110 N NZ . LYS A 1 410 . 18.277 48.013 49.749 1 39.74 ? NZ LYS A 410 1 -ATOM 3111 N N . TYR A 1 411 . 17.242 55.543 46.489 1 16.18 ? N TYR A 411 1 -ATOM 3112 C CA . TYR A 1 411 . 16.627 56.259 45.386 1 18.03 ? CA TYR A 411 1 -ATOM 3113 C C . TYR A 1 411 . 17.659 56.751 44.412 1 22.49 ? C TYR A 411 1 -ATOM 3114 O O . TYR A 1 411 . 17.502 56.663 43.201 1 22.41 ? O TYR A 411 1 -ATOM 3115 C CB . TYR A 1 411 . 15.854 57.471 45.904 1 11.23 ? CB TYR A 411 1 -ATOM 3116 C CG . TYR A 1 411 . 14.999 58.125 44.836 1 5.6 ? CG TYR A 411 1 -ATOM 3117 C CD1 . TYR A 1 411 . 13.747 57.578 44.508 1 2.08 ? CD1 TYR A 411 1 -ATOM 3118 C CD2 . TYR A 1 411 . 15.428 59.307 44.207 1 4.34 ? CD2 TYR A 411 1 -ATOM 3119 C CE1 . TYR A 1 411 . 12.913 58.22 43.586 1 4.24 ? CE1 TYR A 411 1 -ATOM 3120 C CE2 . TYR A 1 411 . 14.598 59.95 43.287 1 2 ? CE2 TYR A 411 1 -ATOM 3121 C CZ . TYR A 1 411 . 13.344 59.409 42.977 1 8.61 ? CZ TYR A 411 1 -ATOM 3122 O OH . TYR A 1 411 . 12.557 60.074 42.057 1 16.66 ? OH TYR A 411 1 -ATOM 3123 N N . THR A 1 412 . 18.74 57.293 44.956 1 24.51 ? N THR A 412 1 -ATOM 3124 C CA . THR A 1 412 . 19.797 57.83 44.105 1 25.23 ? CA THR A 412 1 -ATOM 3125 C C . THR A 1 412 . 20.306 56.858 43.091 1 22.66 ? C THR A 412 1 -ATOM 3126 O O . THR A 1 412 . 20.812 57.27 42.056 1 23.24 ? O THR A 412 1 -ATOM 3127 C CB . THR A 1 412 . 20.895 58.461 44.978 1 24.6 ? CB THR A 412 1 -ATOM 3128 O OG1 . THR A 1 412 . 20.281 59.445 45.809 1 26.37 ? OG1 THR A 412 1 -ATOM 3129 C CG2 . THR A 1 412 . 21.998 59.21 44.205 1 26.6 ? CG2 THR A 412 1 -ATOM 3130 N N . LYS A 1 413 . 20.163 55.564 43.354 1 23.19 ? N LYS A 413 1 -ATOM 3131 C CA . LYS A 1 413 . 20.682 54.713 42.345 1 25.73 ? CA LYS A 413 1 -ATOM 3132 C C . LYS A 1 413 . 19.917 54.864 41.029 1 26.73 ? C LYS A 413 1 -ATOM 3133 O O . LYS A 1 413 . 20.461 54.651 40.014 1 28.6 ? O LYS A 413 1 -ATOM 3134 C CB . LYS A 1 413 . 20.665 53.23 42.754 1 24.16 ? CB LYS A 413 1 -ATOM 3135 C CG . LYS A 1 413 . 21.693 52.927 43.883 1 27.52 ? CG LYS A 413 1 -ATOM 3136 C CD . LYS A 1 413 . 21.33 51.727 44.779 1 36.17 ? CD LYS A 413 1 -ATOM 3137 N N . PHE A 1 414 . 18.623 55.18 41.183 1 28.42 ? N PHE A 414 1 -ATOM 3138 C CA . PHE A 1 414 . 17.814 55.245 39.972 1 29.89 ? CA PHE A 414 1 -ATOM 3139 C C . PHE A 1 414 . 17.061 56.556 39.706 1 28.33 ? C PHE A 414 1 -ATOM 3140 O O . PHE A 1 414 . 16.297 56.674 38.736 1 31.27 ? O PHE A 414 1 -ATOM 3141 C CB . PHE A 1 414 . 16.74 54.146 40.065 1 32.75 ? CB PHE A 414 1 -ATOM 3142 C CG . PHE A 1 414 . 17.272 52.746 40.301 1 37.5 ? CG PHE A 414 1 -ATOM 3143 C CD1 . PHE A 1 414 . 18.572 52.276 40.169 1 44.88 ? CD1 PHE A 414 1 -ATOM 3144 C CD2 . PHE A 1 414 . 16.344 51.858 40.722 1 43.49 ? CD2 PHE A 414 1 -ATOM 3145 C CE1 . PHE A 1 414 . 18.984 51.007 40.512 1 50.06 ? CE1 PHE A 414 1 -ATOM 3146 C CE2 . PHE A 1 414 . 16.694 50.529 41.049 1 45.95 ? CE2 PHE A 414 1 -ATOM 3147 C CZ . PHE A 1 414 . 18.03 50.125 40.954 1 46.66 ? CZ PHE A 414 1 -ATOM 3148 N N . GLY A 1 415 . 17.218 57.553 40.575 1 26.12 ? N GLY A 415 1 -ATOM 3149 C CA . GLY A 1 415 . 16.485 58.772 40.358 1 25.57 ? CA GLY A 415 1 -ATOM 3150 C C . GLY A 1 415 . 17.222 59.643 39.391 1 25.05 ? C GLY A 415 1 -ATOM 3151 O O . GLY A 1 415 . 18.299 59.318 38.929 1 23.29 ? O GLY A 415 1 -ATOM 3152 N N . ASN A 1 416 . 16.658 60.812 39.103 1 28.85 ? N ASN A 416 1 -ATOM 3153 C CA . ASN A 1 416 . 17.307 61.714 38.161 1 34.03 ? CA ASN A 416 1 -ATOM 3154 C C . ASN A 1 416 . 17.867 62.946 38.848 1 33.9 ? C ASN A 416 1 -ATOM 3155 O O . ASN A 1 416 . 17.753 64.054 38.351 1 35.24 ? O ASN A 416 1 -ATOM 3156 C CB . ASN A 1 416 . 16.331 62.053 36.999 1 39.49 ? CB ASN A 416 1 -ATOM 3157 C CG . ASN A 1 416 . 16.946 62.694 35.738 1 42.24 ? CG ASN A 416 1 -ATOM 3158 O OD1 . ASN A 1 416 . 16.387 63.603 35.139 1 46.71 ? OD1 ASN A 416 1 -ATOM 3159 N ND2 . ASN A 1 416 . 18.1 62.178 35.308 1 38.36 ? ND2 ASN A 416 1 -ATOM 3160 N N . GLY A 1 417 . 18.467 62.755 40.028 1 37.53 ? N GLY A 417 1 -ATOM 3161 C CA . GLY A 1 417 . 19.061 63.874 40.788 1 35.91 ? CA GLY A 417 1 -ATOM 3162 C C . GLY A 1 417 . 18.572 63.903 42.225 1 30.56 ? C GLY A 417 1 -ATOM 3163 O O . GLY A 1 417 . 17.407 63.631 42.488 1 29.49 ? O GLY A 417 1 -ATOM 3164 N N . THR A 1 418 . 19.465 64.226 43.162 1 27.58 ? N THR A 418 1 -ATOM 3165 C CA . THR A 1 418 . 19.038 64.247 44.557 1 27.31 ? CA THR A 418 1 -ATOM 3166 C C . THR A 1 418 . 19.764 65.383 45.256 1 25.21 ? C THR A 418 1 -ATOM 3167 O O . THR A 1 418 . 20.978 65.478 45.111 1 26.31 ? O THR A 418 1 -ATOM 3168 C CB . THR A 1 418 . 19.424 62.879 45.187 1 23.65 ? CB THR A 418 1 -ATOM 3169 O OG1 . THR A 1 418 . 18.789 61.811 44.47 1 29.4 ? OG1 THR A 418 1 -ATOM 3170 C CG2 . THR A 1 418 . 19.017 62.701 46.648 1 21.43 ? CG2 THR A 418 1 -ATOM 3171 N N . TYR A 1 419 . 19.03 66.227 45.997 1 22.29 ? N TYR A 419 1 -ATOM 3172 C CA . TYR A 1 419 . 19.643 67.346 46.738 1 25.88 ? CA TYR A 419 1 -ATOM 3173 C C . TYR A 1 419 . 19.254 67.124 48.199 1 25.8 ? C TYR A 419 1 -ATOM 3174 O O . TYR A 1 419 . 18.079 66.883 48.465 1 27.82 ? O TYR A 419 1 -ATOM 3175 C CB . TYR A 1 419 . 19.164 68.702 46.184 1 30.13 ? CB TYR A 419 1 -ATOM 3176 C CG . TYR A 1 419 . 19.512 68.841 44.711 1 29.73 ? CG TYR A 419 1 -ATOM 3177 C CD1 . TYR A 1 419 . 18.6 68.368 43.751 1 31.8 ? CD1 TYR A 419 1 -ATOM 3178 C CD2 . TYR A 1 419 . 20.734 69.407 44.287 1 26.44 ? CD2 TYR A 419 1 -ATOM 3179 C CE1 . TYR A 1 419 . 18.899 68.453 42.387 1 32.84 ? CE1 TYR A 419 1 -ATOM 3180 C CE2 . TYR A 1 419 . 21.036 69.489 42.917 1 27.55 ? CE2 TYR A 419 1 -ATOM 3181 C CZ . TYR A 1 419 . 20.114 69.013 41.961 1 31.05 ? CZ TYR A 419 1 -ATOM 3182 O OH . TYR A 1 419 . 20.364 69.09 40.602 1 31.88 ? OH TYR A 419 1 -ATOM 3183 N N . LEU A 1 420 . 20.228 67.176 49.121 1 19.41 ? N LEU A 420 1 -ATOM 3184 C CA . LEU A 1 420 . 20.014 66.915 50.54 1 17.98 ? CA LEU A 420 1 -ATOM 3185 C C . LEU A 1 420 . 20.492 68.074 51.392 1 19.04 ? C LEU A 420 1 -ATOM 3186 O O . LEU A 1 420 . 21.58 68.595 51.158 1 16.48 ? O LEU A 420 1 -ATOM 3187 C CB . LEU A 1 420 . 20.834 65.657 50.884 1 13.19 ? CB LEU A 420 1 -ATOM 3188 C CG . LEU A 1 420 . 20.683 65.139 52.324 1 13.97 ? CG LEU A 420 1 -ATOM 3189 C CD1 . LEU A 1 420 . 19.221 64.883 52.694 1 13.11 ? CD1 LEU A 420 1 -ATOM 3190 C CD2 . LEU A 1 420 . 21.501 63.86 52.553 1 9.68 ? CD2 LEU A 420 1 -ATOM 3191 N N . TYR A 1 421 . 19.674 68.47 52.388 1 20 ? N TYR A 421 1 -ATOM 3192 C CA . TYR A 1 421 . 20.041 69.576 53.3 1 21.21 ? CA TYR A 421 1 -ATOM 3193 C C . TYR A 1 421 . 19.942 69.123 54.759 1 22.16 ? C TYR A 421 1 -ATOM 3194 O O . TYR A 1 421 . 19.268 68.147 55.083 1 27.68 ? O TYR A 421 1 -ATOM 3195 C CB . TYR A 1 421 . 19.16 70.825 53.113 1 18.16 ? CB TYR A 421 1 -ATOM 3196 C CG . TYR A 1 421 . 17.717 70.594 53.501 1 20.61 ? CG TYR A 421 1 -ATOM 3197 C CD1 . TYR A 1 421 . 16.78 70.057 52.595 1 18.3 ? CD1 TYR A 421 1 -ATOM 3198 C CD2 . TYR A 1 421 . 17.312 70.898 54.806 1 17.41 ? CD2 TYR A 421 1 -ATOM 3199 C CE1 . TYR A 1 421 . 15.451 69.838 53.002 1 18.02 ? CE1 TYR A 421 1 -ATOM 3200 C CE2 . TYR A 1 421 . 15.996 70.665 55.207 1 18.17 ? CE2 TYR A 421 1 -ATOM 3201 C CZ . TYR A 1 421 . 15.057 70.145 54.313 1 17.49 ? CZ TYR A 421 1 -ATOM 3202 O OH . TYR A 1 421 . 13.749 69.954 54.734 1 23.43 ? OH TYR A 421 1 -ATOM 3203 N N . PHE A 1 422 . 20.608 69.887 55.631 1 19.35 ? N PHE A 422 1 -ATOM 3204 C CA . PHE A 1 422 . 20.637 69.652 57.073 1 16.89 ? CA PHE A 422 1 -ATOM 3205 C C . PHE A 1 422 . 20.322 71.005 57.627 1 15.31 ? C PHE A 422 1 -ATOM 3206 O O . PHE A 1 422 . 21.156 71.895 57.543 1 17.01 ? O PHE A 422 1 -ATOM 3207 C CB . PHE A 1 422 . 22.054 69.215 57.459 1 17.68 ? CB PHE A 422 1 -ATOM 3208 C CG . PHE A 1 422 . 22.178 68.85 58.909 1 18.34 ? CG PHE A 422 1 -ATOM 3209 C CD1 . PHE A 1 422 . 21.524 67.705 59.394 1 17.93 ? CD1 PHE A 422 1 -ATOM 3210 C CD2 . PHE A 1 422 . 22.957 69.638 59.779 1 20.27 ? CD2 PHE A 422 1 -ATOM 3211 C CE1 . PHE A 1 422 . 21.65 67.347 60.742 1 16.41 ? CE1 PHE A 422 1 -ATOM 3212 C CE2 . PHE A 1 422 . 23.087 69.277 61.123 1 16.33 ? CE2 PHE A 422 1 -ATOM 3213 C CZ . PHE A 1 422 . 22.431 68.132 61.601 1 17.51 ? CZ PHE A 422 1 -ATOM 3214 N N . PHE A 1 423 . 19.102 71.191 58.111 1 14.66 ? N PHE A 423 1 -ATOM 3215 C CA . PHE A 1 423 . 18.694 72.484 58.631 1 16.94 ? CA PHE A 423 1 -ATOM 3216 C C . PHE A 1 423 . 19.04 72.523 60.103 1 20.96 ? C PHE A 423 1 -ATOM 3217 O O . PHE A 1 423 . 18.555 71.738 60.923 1 26.49 ? O PHE A 423 1 -ATOM 3218 C CB . PHE A 1 423 . 17.2 72.684 58.39 1 12.96 ? CB PHE A 423 1 -ATOM 3219 C CG . PHE A 1 423 . 16.724 74.04 58.834 1 12.99 ? CG PHE A 423 1 -ATOM 3220 C CD1 . PHE A 1 423 . 16.886 75.165 58.004 1 14.02 ? CD1 PHE A 423 1 -ATOM 3221 C CD2 . PHE A 1 423 . 16.1 74.192 60.08 1 17.13 ? CD2 PHE A 423 1 -ATOM 3222 C CE1 . PHE A 1 423 . 16.416 76.428 58.401 1 11.33 ? CE1 PHE A 423 1 -ATOM 3223 C CE2 . PHE A 1 423 . 15.623 75.456 60.481 1 20.89 ? CE2 PHE A 423 1 -ATOM 3224 C CZ . PHE A 1 423 . 15.778 76.573 59.637 1 15.84 ? CZ PHE A 423 1 -ATOM 3225 N N . ASN A 1 424 . 19.894 73.481 60.441 1 18.24 ? N ASN A 424 1 -ATOM 3226 C CA . ASN A 1 424 . 20.337 73.577 61.812 1 14.83 ? CA ASN A 424 1 -ATOM 3227 C C . ASN A 1 424 . 20.403 74.99 62.302 1 12.86 ? C ASN A 424 1 -ATOM 3228 O O . ASN A 1 424 . 21.415 75.403 62.828 1 16.41 ? O ASN A 424 1 -ATOM 3229 C CB . ASN A 1 424 . 21.694 72.892 61.978 1 9.86 ? CB ASN A 424 1 -ATOM 3230 C CG . ASN A 1 424 . 22.744 73.517 61.102 1 14.25 ? CG ASN A 424 1 -ATOM 3231 O OD1 . ASN A 1 424 . 22.489 74.376 60.268 1 19.01 ? OD1 ASN A 424 1 -ATOM 3232 N ND2 . ASN A 1 424 . 23.976 73.051 61.272 1 17.43 ? ND2 ASN A 424 1 -ATOM 3233 N N . HIS A 1 425 . 19.324 75.737 62.152 1 14.01 ? N HIS A 425 1 -ATOM 3234 C CA . HIS A 1 425 . 19.291 77.111 62.619 1 14.7 ? CA HIS A 425 1 -ATOM 3235 C C . HIS A 1 425 . 18.127 77.227 63.581 1 20.28 ? C HIS A 425 1 -ATOM 3236 O O . HIS A 1 425 . 17.025 76.743 63.342 1 22.87 ? O HIS A 425 1 -ATOM 3237 C CB . HIS A 1 425 . 19.069 78.038 61.424 1 13.69 ? CB HIS A 425 1 -ATOM 3238 C CG . HIS A 1 425 . 18.758 79.457 61.849 1 16.2 ? CG HIS A 425 1 -ATOM 3239 N ND1 . HIS A 1 425 . 19.673 80.364 62.264 1 14.43 ? ND1 HIS A 425 1 -ATOM 3240 C CD2 . HIS A 1 425 . 17.483 80.067 61.888 1 16.15 ? CD2 HIS A 425 1 -ATOM 3241 C CE1 . HIS A 1 425 . 18.988 81.491 62.54 1 13.89 ? CE1 HIS A 425 1 -ATOM 3242 N NE2 . HIS A 1 425 . 17.667 81.335 62.316 1 13.71 ? NE2 HIS A 425 1 -ATOM 3243 N N . ARG A 1 426 . 18.386 77.897 64.696 1 24.28 ? N ARG A 426 1 -ATOM 3244 C CA . ARG A 1 426 . 17.337 78.083 65.683 1 27.35 ? CA ARG A 426 1 -ATOM 3245 C C . ARG A 1 426 . 16.832 79.506 65.509 1 27.39 ? C ARG A 426 1 -ATOM 3246 O O . ARG A 1 426 . 17.588 80.471 65.63 1 26.12 ? O ARG A 426 1 -ATOM 3247 C CB . ARG A 1 426 . 17.902 77.842 67.106 1 30.12 ? CB ARG A 426 1 -ATOM 3248 C CG . ARG A 1 426 . 16.81 77.838 68.2 1 36.19 ? CG ARG A 426 1 -ATOM 3249 C CD . ARG A 1 426 . 17.26 77.301 69.568 1 36.3 ? CD ARG A 426 1 -ATOM 3250 N NE . ARG A 1 426 . 16.233 77.525 70.574 1 39.87 ? NE ARG A 426 1 -ATOM 3251 C CZ . ARG A 1 426 . 16.103 78.735 71.15 1 44.86 ? CZ ARG A 426 1 -ATOM 3252 N NH1 . ARG A 1 426 . 16.896 79.766 70.825 1 45.41 ? NH1 ARG A 426 1 -ATOM 3253 N NH2 . ARG A 1 426 . 15.158 78.908 72.068 1 46.68 ? NH2 ARG A 426 1 -ATOM 3254 N N . ALA A 1 427 . 15.526 79.628 65.219 1 25.42 ? N ALA A 427 1 -ATOM 3255 C CA . ALA A 1 427 . 15.003 80.979 65.054 1 24.06 ? CA ALA A 427 1 -ATOM 3256 C C . ALA A 1 427 . 15.285 81.755 66.302 1 24.95 ? C ALA A 427 1 -ATOM 3257 O O . ALA A 1 427 . 15.147 81.236 67.399 1 23.58 ? O ALA A 427 1 -ATOM 3258 C CB . ALA A 1 427 . 13.487 81.02 64.833 1 21.86 ? CB ALA A 427 1 -ATOM 3259 N N . SER A 1 428 . 15.636 83.023 66.1 1 27.92 ? N SER A 428 1 -ATOM 3260 C CA . SER A 1 428 . 15.952 83.883 67.235 1 27.44 ? CA SER A 428 1 -ATOM 3261 C C . SER A 1 428 . 14.768 84.113 68.163 1 27.61 ? C SER A 428 1 -ATOM 3262 O O . SER A 1 428 . 14.926 84.401 69.339 1 33.83 ? O SER A 428 1 -ATOM 3263 C CB . SER A 1 428 . 16.575 85.213 66.778 1 25.08 ? CB SER A 428 1 -ATOM 3264 O OG . SER A 1 428 . 15.802 85.842 65.75 1 27.48 ? OG SER A 428 1 -ATOM 3265 N N . ASN A 1 429 . 13.572 83.993 67.608 1 25.58 ? N ASN A 429 1 -ATOM 3266 C CA . ASN A 1 429 . 12.36 84.182 68.382 1 26.14 ? CA ASN A 429 1 -ATOM 3267 C C . ASN A 1 429 . 11.719 82.855 68.81 1 29.45 ? C ASN A 429 1 -ATOM 3268 O O . ASN A 1 429 . 10.538 82.806 69.149 1 31.59 ? O ASN A 429 1 -ATOM 3269 C CB . ASN A 1 429 . 11.36 85.021 67.566 1 27.84 ? CB ASN A 429 1 -ATOM 3270 C CG . ASN A 1 429 . 11.162 84.534 66.142 1 30.89 ? CG ASN A 429 1 -ATOM 3271 O OD1 . ASN A 1 429 . 11.689 83.507 65.72 1 28.88 ? OD1 ASN A 429 1 -ATOM 3272 N ND2 . ASN A 1 429 . 10.414 85.321 65.38 1 31.96 ? ND2 ASN A 429 1 -ATOM 3273 N N . LEU A 1 430 . 12.494 81.755 68.801 1 27.22 ? N LEU A 430 1 -ATOM 3274 C CA . LEU A 1 430 . 11.872 80.491 69.183 1 24.25 ? CA LEU A 430 1 -ATOM 3275 C C . LEU A 1 430 . 11.33 80.608 70.604 1 25.62 ? C LEU A 430 1 -ATOM 3276 O O . LEU A 1 430 . 12.05 81.102 71.463 1 28.75 ? O LEU A 430 1 -ATOM 3277 C CB . LEU A 1 430 . 12.928 79.358 69.116 1 22.89 ? CB LEU A 430 1 -ATOM 3278 C CG . LEU A 1 430 . 12.497 78.024 68.491 1 21.01 ? CG LEU A 430 1 -ATOM 3279 C CD1 . LEU A 1 430 . 11.098 77.558 68.878 1 25.25 ? CD1 LEU A 430 1 -ATOM 3280 C CD2 . LEU A 1 430 . 12.61 78.064 66.978 1 32.12 ? CD2 LEU A 430 1 -ATOM 3281 N N . VAL A 1 431 . 10.083 80.155 70.846 1 24.53 ? N VAL A 431 1 -ATOM 3282 C CA . VAL A 1 431 . 9.55 80.22 72.222 1 23.47 ? CA VAL A 431 1 -ATOM 3283 C C . VAL A 1 431 . 9.752 78.924 73.018 1 20.42 ? C VAL A 431 1 -ATOM 3284 O O . VAL A 1 431 . 9.338 78.79 74.157 1 22.54 ? O VAL A 431 1 -ATOM 3285 C CB . VAL A 1 431 . 8.045 80.571 72.22 1 20.23 ? CB VAL A 431 1 -ATOM 3286 C CG1 . VAL A 1 431 . 7.851 81.943 71.578 1 24.35 ? CG1 VAL A 431 1 -ATOM 3287 C CG2 . VAL A 1 431 . 7.178 79.519 71.508 1 17.82 ? CG2 VAL A 431 1 -ATOM 3288 N N . TRP A 1 432 . 10.322 77.925 72.377 1 16.34 ? N TRP A 432 1 -ATOM 3289 C CA . TRP A 1 432 . 10.549 76.664 73.056 1 14.4 ? CA TRP A 432 1 -ATOM 3290 C C . TRP A 1 432 . 11.928 76.825 73.709 1 13.99 ? C TRP A 432 1 -ATOM 3291 O O . TRP A 1 432 . 12.698 77.677 73.29 1 13.34 ? O TRP A 432 1 -ATOM 3292 C CB . TRP A 1 432 . 10.491 75.491 72.05 1 11.71 ? CB TRP A 432 1 -ATOM 3293 C CG . TRP A 1 432 . 9.087 75.215 71.549 1 13.78 ? CG TRP A 432 1 -ATOM 3294 C CD1 . TRP A 1 432 . 8.494 75.696 70.352 1 14.89 ? CD1 TRP A 432 1 -ATOM 3295 C CD2 . TRP A 1 432 . 8.113 74.417 72.184 1 15.44 ? CD2 TRP A 432 1 -ATOM 3296 N NE1 . TRP A 1 432 . 7.217 75.23 70.222 1 13.83 ? NE1 TRP A 432 1 -ATOM 3297 C CE2 . TRP A 1 432 . 6.919 74.434 71.305 1 16.22 ? CE2 TRP A 432 1 -ATOM 3298 C CE3 . TRP A 1 432 . 8.058 73.711 73.388 1 16.05 ? CE3 TRP A 432 1 -ATOM 3299 C CZ2 . TRP A 1 432 . 5.771 73.727 71.707 1 14.52 ? CZ2 TRP A 432 1 -ATOM 3300 C CZ3 . TRP A 1 432 . 6.884 73.027 73.752 1 15.01 ? CZ3 TRP A 432 1 -ATOM 3301 C CH2 . TRP A 1 432 . 5.757 73.028 72.921 1 12.98 ? CH2 TRP A 432 1 -ATOM 3302 N N . PRO A 1 433 . 12.245 76.018 74.743 1 12.67 ? N PRO A 433 1 -ATOM 3303 C CA . PRO A 1 433 . 13.523 76.153 75.404 1 9.19 ? CA PRO A 433 1 -ATOM 3304 C C . PRO A 1 433 . 14.678 75.802 74.534 1 12.11 ? C PRO A 433 1 -ATOM 3305 O O . PRO A 1 433 . 14.623 74.982 73.635 1 21.23 ? O PRO A 433 1 -ATOM 3306 C CB . PRO A 1 433 . 13.459 75.154 76.556 1 8.32 ? CB PRO A 433 1 -ATOM 3307 C CG . PRO A 1 433 . 12.309 74.202 76.229 1 4.9 ? CG PRO A 433 1 -ATOM 3308 C CD . PRO A 1 433 . 11.37 75.011 75.342 1 9.63 ? CD PRO A 433 1 -ATOM 3309 N N . GLU A 1 434 . 15.797 76.398 74.91 1 15.38 ? N GLU A 434 1 -ATOM 3310 C CA . GLU A 1 434 . 17.052 76.209 74.207 1 14.21 ? CA GLU A 434 1 -ATOM 3311 C C . GLU A 1 434 . 17.471 74.746 74.132 1 13.83 ? C GLU A 434 1 -ATOM 3312 O O . GLU A 1 434 . 18.152 74.354 73.203 1 17.17 ? O GLU A 434 1 -ATOM 3313 C CB . GLU A 1 434 . 18.131 77.082 74.901 1 12.25 ? CB GLU A 434 1 -ATOM 3314 C CG . GLU A 1 434 . 19.471 77.25 74.154 1 20.68 ? CG GLU A 434 1 -ATOM 3315 N N . TRP A 1 435 . 17.062 73.93 75.109 1 13.6 ? N TRP A 435 1 -ATOM 3316 C CA . TRP A 1 435 . 17.525 72.544 75.044 1 13.74 ? CA TRP A 435 1 -ATOM 3317 C C . TRP A 1 435 . 16.939 71.785 73.877 1 16.4 ? C TRP A 435 1 -ATOM 3318 O O . TRP A 1 435 . 17.517 70.819 73.4 1 23.41 ? O TRP A 435 1 -ATOM 3319 C CB . TRP A 1 435 . 17.391 71.777 76.402 1 13.33 ? CB TRP A 435 1 -ATOM 3320 C CG . TRP A 1 435 . 15.962 71.442 76.812 1 7.61 ? CG TRP A 435 1 -ATOM 3321 C CD1 . TRP A 1 435 . 15.117 72.204 77.65 1 5.44 ? CD1 TRP A 435 1 -ATOM 3322 C CD2 . TRP A 1 435 . 15.215 70.325 76.407 1 5.75 ? CD2 TRP A 435 1 -ATOM 3323 N NE1 . TRP A 1 435 . 13.895 71.623 77.769 1 2 ? NE1 TRP A 435 1 -ATOM 3324 C CE2 . TRP A 1 435 . 13.876 70.476 77.028 1 4 ? CE2 TRP A 435 1 -ATOM 3325 C CE3 . TRP A 1 435 . 15.492 69.206 75.613 1 5.4 ? CE3 TRP A 435 1 -ATOM 3326 C CZ2 . TRP A 1 435 . 12.889 69.511 76.783 1 5.82 ? CZ2 TRP A 435 1 -ATOM 3327 C CZ3 . TRP A 1 435 . 14.484 68.25 75.403 1 9.91 ? CZ3 TRP A 435 1 -ATOM 3328 C CH2 . TRP A 1 435 . 13.197 68.405 75.967 1 8.73 ? CH2 TRP A 435 1 -ATOM 3329 N N . MET A 1 436 . 15.758 72.216 73.436 1 16.03 ? N MET A 436 1 -ATOM 3330 C CA . MET A 1 436 . 15.126 71.534 72.318 1 17.89 ? CA MET A 436 1 -ATOM 3331 C C . MET A 1 436 . 15.859 71.83 70.984 1 20.1 ? C MET A 436 1 -ATOM 3332 O O . MET A 1 436 . 15.715 71.137 69.985 1 20.8 ? O MET A 436 1 -ATOM 3333 C CB . MET A 1 436 . 13.632 71.873 72.286 1 14.73 ? CB MET A 436 1 -ATOM 3334 C CG . MET A 1 436 . 12.913 71.395 73.543 1 10.31 ? CG MET A 436 1 -ATOM 3335 S SD . MET A 1 436 . 11.19 71.974 73.524 1 13.56 ? SD MET A 436 1 -ATOM 3336 C CE . MET A 1 436 . 10.487 70.82 72.309 1 13.12 ? CE MET A 436 1 -ATOM 3337 N N . GLY A 1 437 . 16.66 72.895 70.964 1 20.64 ? N GLY A 437 1 -ATOM 3338 C CA . GLY A 1 437 . 17.403 73.168 69.739 1 18.75 ? CA GLY A 437 1 -ATOM 3339 C C . GLY A 1 437 . 16.552 73.492 68.521 1 17.03 ? C GLY A 437 1 -ATOM 3340 O O . GLY A 1 437 . 15.594 74.256 68.593 1 18.08 ? O GLY A 437 1 -ATOM 3341 N N . VAL A 1 438 . 16.977 72.905 67.382 1 12.62 ? N VAL A 438 1 -ATOM 3342 C CA . VAL A 1 438 . 16.33 73.055 66.081 1 9.94 ? CA VAL A 438 1 -ATOM 3343 C C . VAL A 1 438 . 15.27 71.965 66.028 1 6.84 ? C VAL A 438 1 -ATOM 3344 O O . VAL A 1 438 . 15.538 70.83 65.653 1 2 ? O VAL A 438 1 -ATOM 3345 C CB . VAL A 1 438 . 17.385 72.902 64.976 1 6.49 ? CB VAL A 438 1 -ATOM 3346 C CG1 . VAL A 1 438 . 16.813 73.247 63.604 1 12.47 ? CG1 VAL A 438 1 -ATOM 3347 C CG2 . VAL A 1 438 . 18.622 73.766 65.262 1 4.15 ? CG2 VAL A 438 1 -ATOM 3348 N N . ILE A 1 439 . 14.062 72.371 66.379 1 8.21 ? N ILE A 439 1 -ATOM 3349 C CA . ILE A 1 439 . 12.963 71.434 66.493 1 9.83 ? CA ILE A 439 1 -ATOM 3350 C C . ILE A 1 439 . 12.315 70.981 65.199 1 12.68 ? C ILE A 439 1 -ATOM 3351 O O . ILE A 1 439 . 12.24 71.645 64.166 1 17.5 ? O ILE A 439 1 -ATOM 3352 C CB . ILE A 1 439 . 11.928 72.134 67.412 1 8.73 ? CB ILE A 439 1 -ATOM 3353 C CG1 . ILE A 1 439 . 12.536 72.553 68.764 1 5.52 ? CG1 ILE A 439 1 -ATOM 3354 C CG2 . ILE A 1 439 . 10.641 71.337 67.687 1 9.39 ? CG2 ILE A 439 1 -ATOM 3355 C CD1 . ILE A 1 439 . 11.738 73.672 69.435 1 2 ? CD1 ILE A 439 1 -ATOM 3356 N N . HIS A 1 440 . 11.787 69.767 65.315 1 10.68 ? N HIS A 440 1 -ATOM 3357 C CA . HIS A 1 440 . 11.053 69.108 64.252 1 9.48 ? CA HIS A 440 1 -ATOM 3358 C C . HIS A 1 440 . 9.911 70.051 63.934 1 9.31 ? C HIS A 440 1 -ATOM 3359 O O . HIS A 1 440 . 9.208 70.462 64.829 1 8.12 ? O HIS A 440 1 -ATOM 3360 C CB . HIS A 1 440 . 10.55 67.777 64.839 1 8.57 ? CB HIS A 440 1 -ATOM 3361 C CG . HIS A 1 440 . 9.657 66.946 63.948 1 7.99 ? CG HIS A 440 1 -ATOM 3362 N ND1 . HIS A 1 440 . 10.086 66.014 63.073 1 6.63 ? ND1 HIS A 440 1 -ATOM 3363 C CD2 . HIS A 1 440 . 8.24 66.895 63.984 1 9.96 ? CD2 HIS A 440 1 -ATOM 3364 C CE1 . HIS A 1 440 . 8.975 65.395 62.6 1 12.43 ? CE1 HIS A 440 1 -ATOM 3365 N NE2 . HIS A 1 440 . 7.845 65.912 63.137 1 10.39 ? NE2 HIS A 440 1 -ATOM 3366 N N . GLY A 1 441 . 9.782 70.443 62.665 1 12.04 ? N GLY A 441 1 -ATOM 3367 C CA . GLY A 1 441 . 8.713 71.358 62.293 1 8.35 ? CA GLY A 441 1 -ATOM 3368 C C . GLY A 1 441 . 9.18 72.772 62.174 1 8.92 ? C GLY A 441 1 -ATOM 3369 O O . GLY A 1 441 . 8.565 73.583 61.507 1 9.77 ? O GLY A 441 1 -ATOM 3370 N N . TYR A 1 442 . 10.356 73.065 62.706 1 8.66 ? N TYR A 442 1 -ATOM 3371 C CA . TYR A 1 442 . 10.755 74.475 62.684 1 11.82 ? CA TYR A 442 1 -ATOM 3372 C C . TYR A 1 442 . 11.364 75.119 61.445 1 13.54 ? C TYR A 442 1 -ATOM 3373 O O . TYR A 1 442 . 11.672 76.305 61.457 1 20.09 ? O TYR A 442 1 -ATOM 3374 C CB . TYR A 1 442 . 11.369 74.815 64.079 1 11.19 ? CB TYR A 442 1 -ATOM 3375 C CG . TYR A 1 442 . 10.204 74.997 65.047 1 7.21 ? CG TYR A 442 1 -ATOM 3376 C CD1 . TYR A 1 442 . 9.504 73.889 65.567 1 5.33 ? CD1 TYR A 442 1 -ATOM 3377 C CD2 . TYR A 1 442 . 9.715 76.291 65.292 1 2 ? CD2 TYR A 442 1 -ATOM 3378 C CE1 . TYR A 1 442 . 8.32 74.07 66.286 1 2 ? CE1 TYR A 442 1 -ATOM 3379 C CE2 . TYR A 1 442 . 8.531 76.476 66.001 1 2 ? CE2 TYR A 442 1 -ATOM 3380 C CZ . TYR A 1 442 . 7.836 75.369 66.49 1 4.13 ? CZ TYR A 442 1 -ATOM 3381 O OH . TYR A 1 442 . 6.66 75.593 67.164 1 13.11 ? OH TYR A 442 1 -ATOM 3382 N N . GLU A 1 443 . 11.519 74.358 60.342 1 15.74 ? N GLU A 443 1 -ATOM 3383 C CA . GLU A 1 443 . 12.072 74.942 59.086 1 7.98 ? CA GLU A 443 1 -ATOM 3384 C C . GLU A 1 443 . 10.944 75.473 58.23 1 5.61 ? C GLU A 443 1 -ATOM 3385 O O . GLU A 1 443 . 11.091 76.316 57.364 1 7.19 ? O GLU A 443 1 -ATOM 3386 C CB . GLU A 1 443 . 12.889 73.972 58.219 1 9.6 ? CB GLU A 443 1 -ATOM 3387 C CG . GLU A 1 443 . 12.093 72.991 57.312 1 7.55 ? CG GLU A 443 1 -ATOM 3388 C CD . GLU A 1 443 . 11.196 72.053 58.088 1 6.46 ? CD GLU A 443 1 -ATOM 3389 O OE1 . GLU A 1 443 . 11.514 71.797 59.235 1 8.12 ? OE1 GLU A 443 1 -ATOM 3390 O OE2 . GLU A 1 443 . 10.196 71.582 57.551 1 6.22 ? OE2 GLU A 443 1 -ATOM 3391 N N . ILE A 1 444 . 9.757 74.944 58.494 1 3.67 ? N ILE A 444 1 -ATOM 3392 C CA . ILE A 1 444 . 8.602 75.371 57.745 1 2.76 ? CA ILE A 444 1 -ATOM 3393 C C . ILE A 1 444 . 8.391 76.89 57.829 1 6.05 ? C ILE A 444 1 -ATOM 3394 O O . ILE A 1 444 . 7.849 77.504 56.938 1 9.34 ? O ILE A 444 1 -ATOM 3395 C CB . ILE A 1 444 . 7.359 74.564 58.209 1 2 ? CB ILE A 444 1 -ATOM 3396 C CG1 . ILE A 1 444 . 7.604 73.028 58.241 1 5.67 ? CG1 ILE A 444 1 -ATOM 3397 C CG2 . ILE A 1 444 . 6.15 74.919 57.348 1 3.61 ? CG2 ILE A 444 1 -ATOM 3398 C CD1 . ILE A 1 444 . 6.379 72.173 58.631 1 2 ? CD1 ILE A 444 1 -ATOM 3399 N N . GLU A 1 445 . 8.84 77.54 58.906 1 16.65 ? N GLU A 445 1 -ATOM 3400 C CA . GLU A 1 445 . 8.601 78.992 58.98 1 17.1 ? CA GLU A 445 1 -ATOM 3401 C C . GLU A 1 445 . 9.356 79.694 57.924 1 14.25 ? C GLU A 445 1 -ATOM 3402 O O . GLU A 1 445 . 8.937 80.729 57.438 1 8.96 ? O GLU A 445 1 -ATOM 3403 C CB . GLU A 1 445 . 9.088 79.671 60.292 1 24.89 ? CB GLU A 445 1 -ATOM 3404 C CG . GLU A 1 445 . 8.687 78.932 61.563 1 25.68 ? CG GLU A 445 1 -ATOM 3405 C CD . GLU A 1 445 . 9.181 79.521 62.848 1 31.64 ? CD GLU A 445 1 -ATOM 3406 O OE1 . GLU A 1 445 . 10.321 79.998 62.881 1 28.92 ? OE1 GLU A 445 1 -ATOM 3407 O OE2 . GLU A 1 445 . 8.421 79.476 63.819 1 35.91 ? OE2 GLU A 445 1 -ATOM 3408 N N . PHE A 1 446 . 10.512 79.084 57.639 1 14.43 ? N PHE A 446 1 -ATOM 3409 C CA . PHE A 1 446 . 11.436 79.601 56.65 1 17.47 ? CA PHE A 446 1 -ATOM 3410 C C . PHE A 1 446 . 10.935 79.364 55.231 1 17.92 ? C PHE A 446 1 -ATOM 3411 O O . PHE A 1 446 . 10.854 80.285 54.429 1 17.24 ? O PHE A 446 1 -ATOM 3412 C CB . PHE A 1 446 . 12.841 79.006 56.892 1 14.25 ? CB PHE A 446 1 -ATOM 3413 C CG . PHE A 1 446 . 13.479 79.696 58.073 1 18.46 ? CG PHE A 446 1 -ATOM 3414 C CD1 . PHE A 1 446 . 13.109 79.356 59.382 1 21.45 ? CD1 PHE A 446 1 -ATOM 3415 C CD2 . PHE A 1 446 . 14.397 80.744 57.865 1 17.73 ? CD2 PHE A 446 1 -ATOM 3416 C CE1 . PHE A 1 446 . 13.632 80.089 60.462 1 25.35 ? CE1 PHE A 446 1 -ATOM 3417 C CE2 . PHE A 1 446 . 14.922 81.463 58.941 1 16.63 ? CE2 PHE A 446 1 -ATOM 3418 C CZ . PHE A 1 446 . 14.533 81.146 60.246 1 17.92 ? CZ PHE A 446 1 -ATOM 3419 N N . VAL A 1 447 . 10.587 78.103 54.953 1 15.23 ? N VAL A 447 1 -ATOM 3420 C CA . VAL A 1 447 . 10.097 77.751 53.637 1 11.34 ? CA VAL A 447 1 -ATOM 3421 C C . VAL A 1 447 . 8.867 78.578 53.236 1 13.43 ? C VAL A 447 1 -ATOM 3422 O O . VAL A 1 447 . 8.675 78.844 52.058 1 18.88 ? O VAL A 447 1 -ATOM 3423 C CB . VAL A 1 447 . 9.843 76.228 53.599 1 9.38 ? CB VAL A 447 1 -ATOM 3424 C CG1 . VAL A 1 447 . 9.027 75.75 52.392 1 4.32 ? CG1 VAL A 447 1 -ATOM 3425 C CG2 . VAL A 1 447 . 11.168 75.435 53.691 1 3.9 ? CG2 VAL A 447 1 -ATOM 3426 N N . PHE A 1 448 . 8.042 78.981 54.207 1 4.53 ? N PHE A 448 1 -ATOM 3427 C CA . PHE A 1 448 . 6.869 79.755 53.84 1 3.52 ? CA PHE A 448 1 -ATOM 3428 C C . PHE A 1 448 . 7.071 81.254 53.952 1 7.21 ? C PHE A 448 1 -ATOM 3429 O O . PHE A 1 448 . 6.141 82.041 53.829 1 10.21 ? O PHE A 448 1 -ATOM 3430 C CB . PHE A 1 448 . 5.622 79.283 54.591 1 3.13 ? CB PHE A 448 1 -ATOM 3431 C CG . PHE A 1 448 . 4.956 78.088 53.952 1 3.83 ? CG PHE A 448 1 -ATOM 3432 C CD1 . PHE A 1 448 . 5.567 76.827 53.991 1 2.43 ? CD1 PHE A 448 1 -ATOM 3433 C CD2 . PHE A 1 448 . 3.705 78.237 53.307 1 6.22 ? CD2 PHE A 448 1 -ATOM 3434 C CE1 . PHE A 1 448 . 4.929 75.722 53.393 1 9.88 ? CE1 PHE A 448 1 -ATOM 3435 C CE2 . PHE A 1 448 . 3.07 77.138 52.709 1 5.13 ? CE2 PHE A 448 1 -ATOM 3436 C CZ . PHE A 1 448 . 3.685 75.876 52.751 1 8.76 ? CZ PHE A 448 1 -ATOM 3437 N N . GLY A 1 449 . 8.302 81.669 54.212 1 12.35 ? N GLY A 449 1 -ATOM 3438 C CA . GLY A 1 449 . 8.601 83.113 54.262 1 19.06 ? CA GLY A 449 1 -ATOM 3439 C C . GLY A 1 449 . 8.035 83.979 55.378 1 22.16 ? C GLY A 449 1 -ATOM 3440 O O . GLY A 1 449 . 7.885 85.192 55.224 1 23.38 ? O GLY A 449 1 -ATOM 3441 N N . LEU A 1 450 . 7.735 83.363 56.538 1 23.86 ? N LEU A 450 1 -ATOM 3442 C CA . LEU A 1 450 . 7.219 84.19 57.634 1 20.32 ? CA LEU A 450 1 -ATOM 3443 C C . LEU A 1 450 . 8.256 85.211 58.121 1 17.7 ? C LEU A 450 1 -ATOM 3444 O O . LEU A 1 450 . 7.883 86.31 58.488 1 16.68 ? O LEU A 450 1 -ATOM 3445 C CB . LEU A 1 450 . 6.676 83.381 58.824 1 18.87 ? CB LEU A 450 1 -ATOM 3446 C CG . LEU A 1 450 . 5.459 82.475 58.544 1 19.02 ? CG LEU A 450 1 -ATOM 3447 C CD1 . LEU A 1 450 . 4.479 82.48 59.723 1 23.46 ? CD1 LEU A 450 1 -ATOM 3448 C CD2 . LEU A 1 450 . 4.688 82.824 57.271 1 23.14 ? CD2 LEU A 450 1 -ATOM 3449 N N . PRO A 1 451 . 9.564 84.906 58.111 1 16.06 ? N PRO A 451 1 -ATOM 3450 C CA . PRO A 1 451 . 10.523 85.973 58.367 1 20.2 ? CA PRO A 451 1 -ATOM 3451 C C . PRO A 1 451 . 10.389 87.265 57.568 1 25.32 ? C PRO A 451 1 -ATOM 3452 O O . PRO A 1 451 . 10.988 88.278 57.919 1 30.73 ? O PRO A 451 1 -ATOM 3453 C CB . PRO A 1 451 . 11.898 85.312 58.167 1 16.42 ? CB PRO A 451 1 -ATOM 3454 C CG . PRO A 1 451 . 11.663 83.804 58.374 1 13.92 ? CG PRO A 451 1 -ATOM 3455 C CD . PRO A 1 451 . 10.182 83.586 58.012 1 15.33 ? CD PRO A 451 1 -ATOM 3456 N N . LEU A 1 452 . 9.636 87.218 56.456 1 30.14 ? N LEU A 452 1 -ATOM 3457 C CA . LEU A 1 452 . 9.477 88.436 55.666 1 31.12 ? CA LEU A 452 1 -ATOM 3458 C C . LEU A 1 452 . 8.561 89.402 56.374 1 32.76 ? C LEU A 452 1 -ATOM 3459 O O . LEU A 1 452 . 8.601 90.608 56.162 1 34.65 ? O LEU A 452 1 -ATOM 3460 C CB . LEU A 1 452 . 8.945 88.149 54.262 1 28.34 ? CB LEU A 452 1 -ATOM 3461 C CG . LEU A 1 452 . 9.855 87.242 53.419 1 25.04 ? CG LEU A 452 1 -ATOM 3462 C CD1 . LEU A 1 452 . 9.64 87.572 51.947 1 29.84 ? CD1 LEU A 452 1 -ATOM 3463 C CD2 . LEU A 1 452 . 11.347 87.363 53.738 1 21.13 ? CD2 LEU A 452 1 -ATOM 3464 N N . VAL A 1 453 . 7.715 88.831 57.23 1 33.5 ? N VAL A 453 1 -ATOM 3465 C CA . VAL A 1 453 . 6.785 89.616 58.003 1 35.18 ? CA VAL A 453 1 -ATOM 3466 C C . VAL A 1 453 . 7.585 90.214 59.143 1 37.58 ? C VAL A 453 1 -ATOM 3467 O O . VAL A 1 453 . 7.915 89.555 60.116 1 41.33 ? O VAL A 453 1 -ATOM 3468 C CB . VAL A 1 453 . 5.67 88.683 58.497 1 33.52 ? CB VAL A 453 1 -ATOM 3469 C CG1 . VAL A 1 453 . 4.555 89.448 59.213 1 36.53 ? CG1 VAL A 453 1 -ATOM 3470 C CG2 . VAL A 1 453 . 5.056 87.869 57.338 1 35.81 ? CG2 VAL A 453 1 -ATOM 3471 N N . LYS A 1 454 . 7.877 91.503 59.035 1 42.92 ? N LYS A 454 1 -ATOM 3472 C CA . LYS A 1 454 . 8.669 92.165 60.076 1 47.9 ? CA LYS A 454 1 -ATOM 3473 C C . LYS A 1 454 . 8.02 92.125 61.467 1 47.66 ? C LYS A 454 1 -ATOM 3474 O O . LYS A 1 454 . 8.691 92.052 62.489 1 47.79 ? O LYS A 454 1 -ATOM 3475 C CB . LYS A 1 454 . 9.056 93.591 59.627 1 51.97 ? CB LYS A 454 1 -ATOM 3476 C CG . LYS A 1 454 . 9.627 93.678 58.174 1 61.84 ? CG LYS A 454 1 -ATOM 3477 C CD . LYS A 1 454 . 11.067 93.135 57.962 1 65.28 ? CD LYS A 454 1 -ATOM 3478 C CE . LYS A 1 454 . 11.212 91.6 57.792 1 69.26 ? CE LYS A 454 1 -ATOM 3479 N NZ . LYS A 1 454 . 12.612 91.209 57.883 1 74.01 ? NZ LYS A 454 1 -ATOM 3480 N N . GLU A 1 455 . 6.675 92.124 61.481 1 45.37 ? N GLU A 455 1 -ATOM 3481 C CA . GLU A 1 455 . 5.96 92.071 62.763 1 38.25 ? CA GLU A 455 1 -ATOM 3482 C C . GLU A 1 455 . 6.248 90.803 63.54 1 35.88 ? C GLU A 455 1 -ATOM 3483 O O . GLU A 1 455 . 5.957 90.725 64.719 1 37.11 ? O GLU A 455 1 -ATOM 3484 C CB . GLU A 1 455 . 4.42 92.127 62.657 1 37.95 ? CB GLU A 455 1 -ATOM 3485 N N . LEU A 1 456 . 6.81 89.791 62.886 1 31.87 ? N LEU A 456 1 -ATOM 3486 C CA . LEU A 1 456 . 7.071 88.568 63.621 1 30.7 ? CA LEU A 456 1 -ATOM 3487 C C . LEU A 1 456 . 8.401 88.558 64.368 1 32.17 ? C LEU A 456 1 -ATOM 3488 O O . LEU A 1 456 . 8.719 87.593 65.061 1 30.98 ? O LEU A 456 1 -ATOM 3489 C CB . LEU A 1 456 . 6.879 87.37 62.708 1 30.84 ? CB LEU A 456 1 -ATOM 3490 C CG . LEU A 1 456 . 5.485 87.371 62.068 1 31.62 ? CG LEU A 456 1 -ATOM 3491 C CD1 . LEU A 1 456 . 5.31 86.161 61.149 1 36.79 ? CD1 LEU A 456 1 -ATOM 3492 C CD2 . LEU A 1 456 . 4.328 87.46 63.076 1 27.13 ? CD2 LEU A 456 1 -ATOM 3493 N N . ASN A 1 457 . 9.185 89.624 64.218 1 31.39 ? N ASN A 457 1 -ATOM 3494 C CA . ASN A 1 457 . 10.453 89.752 64.958 1 35.14 ? CA ASN A 457 1 -ATOM 3495 C C . ASN A 1 457 . 11.59 88.804 64.619 1 32.17 ? C ASN A 457 1 -ATOM 3496 O O . ASN A 1 457 . 12.171 88.197 65.517 1 32 ? O ASN A 457 1 -ATOM 3497 C CB . ASN A 1 457 . 10.273 89.624 66.508 1 43.52 ? CB ASN A 457 1 -ATOM 3498 C CG . ASN A 1 457 . 9.348 90.65 67.137 1 49.23 ? CG ASN A 457 1 -ATOM 3499 O OD1 . ASN A 1 457 . 9.71 91.802 67.325 1 54.33 ? OD1 ASN A 457 1 -ATOM 3500 N ND2 . ASN A 1 457 . 8.133 90.219 67.469 1 51.9 ? ND2 ASN A 457 1 -ATOM 3501 N N . TYR A 1 458 . 11.913 88.633 63.338 1 28.42 ? N TYR A 458 1 -ATOM 3502 C CA . TYR A 1 458 . 13.045 87.738 63.059 1 25.04 ? CA TYR A 458 1 -ATOM 3503 C C . TYR A 1 458 . 14.182 88.661 62.723 1 24.07 ? C TYR A 458 1 -ATOM 3504 O O . TYR A 1 458 . 13.974 89.827 62.42 1 25.65 ? O TYR A 458 1 -ATOM 3505 C CB . TYR A 1 458 . 12.794 86.785 61.881 1 20 ? CB TYR A 458 1 -ATOM 3506 C CG . TYR A 1 458 . 11.774 85.705 62.144 1 15.51 ? CG TYR A 458 1 -ATOM 3507 C CD1 . TYR A 1 458 . 10.402 85.989 61.988 1 15.4 ? CD1 TYR A 458 1 -ATOM 3508 C CD2 . TYR A 1 458 . 12.175 84.39 62.453 1 12.32 ? CD2 TYR A 458 1 -ATOM 3509 C CE1 . TYR A 1 458 . 9.447 84.962 62.057 1 11.67 ? CE1 TYR A 458 1 -ATOM 3510 C CE2 . TYR A 1 458 . 11.221 83.364 62.531 1 12.05 ? CE2 TYR A 458 1 -ATOM 3511 C CZ . TYR A 1 458 . 9.861 83.644 62.307 1 12.36 ? CZ TYR A 458 1 -ATOM 3512 O OH . TYR A 1 458 . 8.926 82.623 62.289 1 16.52 ? OH TYR A 458 1 -ATOM 3513 N N . THR A 1 459 . 15.397 88.146 62.764 1 25.51 ? N THR A 459 1 -ATOM 3514 C CA . THR A 1 459 . 16.491 89.042 62.421 1 30.49 ? CA THR A 459 1 -ATOM 3515 C C . THR A 1 459 . 16.556 89.189 60.907 1 34.22 ? C THR A 459 1 -ATOM 3516 O O . THR A 1 459 . 16.074 88.354 60.138 1 38.2 ? O THR A 459 1 -ATOM 3517 C CB . THR A 1 459 . 17.828 88.505 62.978 1 31.63 ? CB THR A 459 1 -ATOM 3518 O OG1 . THR A 1 459 . 18.006 87.127 62.639 1 32.54 ? OG1 THR A 459 1 -ATOM 3519 C CG2 . THR A 1 459 . 17.895 88.568 64.503 1 37.27 ? CG2 THR A 459 1 -ATOM 3520 N N . ALA A 1 460 . 17.256 90.25 60.485 1 35.28 ? N ALA A 460 1 -ATOM 3521 C CA . ALA A 1 460 . 17.392 90.463 59.049 1 31.19 ? CA ALA A 460 1 -ATOM 3522 C C . ALA A 1 460 . 18.147 89.318 58.423 1 31 ? C ALA A 460 1 -ATOM 3523 O O . ALA A 1 460 . 17.868 88.901 57.311 1 36.66 ? O ALA A 460 1 -ATOM 3524 C CB . ALA A 1 460 . 18.138 91.756 58.74 1 31.44 ? CB ALA A 460 1 -ATOM 3525 N N . GLU A 1 461 . 19.12 88.794 59.182 1 26.39 ? N GLU A 461 1 -ATOM 3526 C CA . GLU A 1 461 . 19.89 87.674 58.654 1 23.78 ? CA GLU A 461 1 -ATOM 3527 C C . GLU A 1 461 . 18.974 86.461 58.393 1 23.06 ? C GLU A 461 1 -ATOM 3528 O O . GLU A 1 461 . 19.246 85.601 57.572 1 26.98 ? O GLU A 461 1 -ATOM 3529 C CB . GLU A 1 461 . 21.064 87.271 59.585 1 25.76 ? CB GLU A 461 1 -ATOM 3530 C CG . GLU A 1 461 . 21.864 88.405 60.275 1 31.33 ? CG GLU A 461 1 -ATOM 3531 N N . GLU A 1 462 . 17.866 86.374 59.133 1 22.8 ? N GLU A 462 1 -ATOM 3532 C CA . GLU A 1 462 . 16.933 85.262 58.938 1 22.36 ? CA GLU A 462 1 -ATOM 3533 C C . GLU A 1 462 . 16.067 85.557 57.749 1 23.82 ? C GLU A 462 1 -ATOM 3534 O O . GLU A 1 462 . 15.62 84.657 57.053 1 26.24 ? O GLU A 462 1 -ATOM 3535 C CB . GLU A 1 462 . 16.067 85.018 60.182 1 19.23 ? CB GLU A 462 1 -ATOM 3536 C CG . GLU A 1 462 . 16.911 84.411 61.317 1 16.08 ? CG GLU A 462 1 -ATOM 3537 C CD . GLU A 1 462 . 16.242 84.428 62.681 1 16.57 ? CD GLU A 462 1 -ATOM 3538 O OE1 . GLU A 1 462 . 15.343 85.249 62.9 1 10.48 ? OE1 GLU A 462 1 -ATOM 3539 O OE2 . GLU A 1 462 . 16.636 83.613 63.518 1 6.73 ? OE2 GLU A 462 1 -ATOM 3540 N N . GLU A 1 463 . 15.804 86.853 57.519 1 26.21 ? N GLU A 463 1 -ATOM 3541 C CA . GLU A 1 463 . 15 87.209 56.343 1 27.74 ? CA GLU A 463 1 -ATOM 3542 C C . GLU A 1 463 . 15.748 86.741 55.097 1 24.31 ? C GLU A 463 1 -ATOM 3543 O O . GLU A 1 463 . 15.214 86.181 54.152 1 23.26 ? O GLU A 463 1 -ATOM 3544 C CB . GLU A 1 463 . 14.741 88.72 56.214 1 33.13 ? CB GLU A 463 1 -ATOM 3545 C CG . GLU A 1 463 . 13.667 88.991 55.142 1 43.02 ? CG GLU A 463 1 -ATOM 3546 C CD . GLU A 1 463 . 13.678 90.403 54.567 1 49.44 ? CD GLU A 463 1 -ATOM 3547 O OE1 . GLU A 1 463 . 14.724 90.82 54.065 1 55.82 ? OE1 GLU A 463 1 -ATOM 3548 O OE2 . GLU A 1 463 . 12.639 91.071 54.602 1 52.07 ? OE2 GLU A 463 1 -ATOM 3549 N N . ALA A 1 464 . 17.053 86.988 55.147 1 21.45 ? N ALA A 464 1 -ATOM 3550 C CA . ALA A 1 464 . 17.904 86.571 54.059 1 17.4 ? CA ALA A 464 1 -ATOM 3551 C C . ALA A 1 464 . 17.806 85.072 53.872 1 16.84 ? C ALA A 464 1 -ATOM 3552 O O . ALA A 1 464 . 17.625 84.578 52.772 1 23.96 ? O ALA A 464 1 -ATOM 3553 C CB . ALA A 1 464 . 19.359 86.947 54.361 1 18 ? CB ALA A 464 1 -ATOM 3554 N N . LEU A 1 465 . 17.917 84.353 54.99 1 14.92 ? N LEU A 465 1 -ATOM 3555 C CA . LEU A 1 465 . 17.84 82.901 54.957 1 11.99 ? CA LEU A 465 1 -ATOM 3556 C C . LEU A 1 465 . 16.538 82.392 54.346 1 13.91 ? C LEU A 465 1 -ATOM 3557 O O . LEU A 1 465 . 16.581 81.508 53.502 1 14.21 ? O LEU A 465 1 -ATOM 3558 C CB . LEU A 1 465 . 18.063 82.291 56.357 1 10.67 ? CB LEU A 465 1 -ATOM 3559 C CG . LEU A 1 465 . 18.192 80.753 56.381 1 11.62 ? CG LEU A 465 1 -ATOM 3560 C CD1 . LEU A 1 465 . 19.344 80.255 55.509 1 19.35 ? CD1 LEU A 465 1 -ATOM 3561 C CD2 . LEU A 1 465 . 18.403 80.203 57.788 1 11.16 ? CD2 LEU A 465 1 -ATOM 3562 N N . SER A 1 466 . 15.367 82.933 54.737 1 12.62 ? N SER A 466 1 -ATOM 3563 C CA . SER A 1 466 . 14.166 82.366 54.11 1 17.34 ? CA SER A 466 1 -ATOM 3564 C C . SER A 1 466 . 14.102 82.694 52.637 1 22.63 ? C SER A 466 1 -ATOM 3565 O O . SER A 1 466 . 13.545 81.933 51.858 1 26.36 ? O SER A 466 1 -ATOM 3566 C CB . SER A 1 466 . 12.832 82.685 54.78 1 14.63 ? CB SER A 466 1 -ATOM 3567 O OG . SER A 1 466 . 12.762 84.077 55.007 1 25.19 ? OG SER A 466 1 -ATOM 3568 N N . ARG A 1 467 . 14.675 83.836 52.233 1 22.38 ? N ARG A 467 1 -ATOM 3569 C CA . ARG A 1 467 . 14.612 84.09 50.803 1 20.89 ? CA ARG A 467 1 -ATOM 3570 C C . ARG A 1 467 . 15.467 83.065 50.051 1 20.9 ? C ARG A 467 1 -ATOM 3571 O O . ARG A 1 467 . 15.126 82.65 48.949 1 22.37 ? O ARG A 467 1 -ATOM 3572 C CB . ARG A 1 467 . 15.008 85.515 50.486 1 20.62 ? CB ARG A 467 1 -ATOM 3573 C CG . ARG A 1 467 . 14.021 86.543 51.059 1 24.03 ? CG ARG A 467 1 -ATOM 3574 C CD . ARG A 1 467 . 14.477 87.965 50.698 1 29.71 ? CD ARG A 467 1 -ATOM 3575 N NE . ARG A 1 467 . 13.686 88.998 51.343 1 34.93 ? NE ARG A 467 1 -ATOM 3576 C CZ . ARG A 1 467 . 12.56 89.506 50.812 1 36.36 ? CZ ARG A 467 1 -ATOM 3577 N NH1 . ARG A 1 467 . 12.048 89.034 49.678 1 36.65 ? NH1 ARG A 467 1 -ATOM 3578 N NH2 . ARG A 1 467 . 11.944 90.507 51.441 1 40.08 ? NH2 ARG A 467 1 -ATOM 3579 N N . ARG A 1 468 . 16.576 82.636 50.669 1 17.65 ? N ARG A 468 1 -ATOM 3580 C CA . ARG A 1 468 . 17.387 81.648 49.973 1 19.11 ? CA ARG A 468 1 -ATOM 3581 C C . ARG A 1 468 . 16.678 80.334 49.9 1 20.33 ? C ARG A 468 1 -ATOM 3582 O O . ARG A 1 468 . 16.709 79.626 48.903 1 22.41 ? O ARG A 468 1 -ATOM 3583 C CB . ARG A 1 468 . 18.738 81.36 50.64 1 18.67 ? CB ARG A 468 1 -ATOM 3584 C CG . ARG A 1 468 . 19.467 82.632 51.088 1 28.44 ? CG ARG A 468 1 -ATOM 3585 C CD . ARG A 1 468 . 21.002 82.519 51.106 1 34.04 ? CD ARG A 468 1 -ATOM 3586 N NE . ARG A 1 468 . 21.519 81.658 52.167 1 40.98 ? NE ARG A 468 1 -ATOM 3587 C CZ . ARG A 1 468 . 21.745 80.345 51.975 1 44.67 ? CZ ARG A 468 1 -ATOM 3588 N NH1 . ARG A 1 468 . 21.341 79.745 50.866 1 46.16 ? NH1 ARG A 468 1 -ATOM 3589 N NH2 . ARG A 1 468 . 22.383 79.621 52.895 1 46.32 ? NH2 ARG A 468 1 -ATOM 3590 N N . ILE A 1 469 . 16.03 80.025 51.022 1 20.68 ? N ILE A 469 1 -ATOM 3591 C CA . ILE A 1 469 . 15.311 78.769 51.105 1 19.33 ? CA ILE A 469 1 -ATOM 3592 C C . ILE A 1 469 . 14.193 78.758 50.084 1 19.36 ? C ILE A 469 1 -ATOM 3593 O O . ILE A 1 469 . 14.06 77.842 49.284 1 23.77 ? O ILE A 469 1 -ATOM 3594 C CB . ILE A 1 469 . 14.783 78.529 52.537 1 17.87 ? CB ILE A 469 1 -ATOM 3595 C CG1 . ILE A 1 469 . 15.877 78.713 53.626 1 17.95 ? CG1 ILE A 469 1 -ATOM 3596 C CG2 . ILE A 1 469 . 14.077 77.177 52.658 1 17.95 ? CG2 ILE A 469 1 -ATOM 3597 C CD1 . ILE A 1 469 . 16.398 77.436 54.273 1 10.76 ? CD1 ILE A 469 1 -ATOM 3598 N N . MET A 1 470 . 13.39 79.821 50.11 1 16.41 ? N MET A 470 1 -ATOM 3599 C CA . MET A 1 470 . 12.27 79.928 49.189 1 16.31 ? CA MET A 470 1 -ATOM 3600 C C . MET A 1 470 . 12.703 79.892 47.736 1 16.06 ? C MET A 470 1 -ATOM 3601 O O . MET A 1 470 . 11.992 79.431 46.852 1 13.24 ? O MET A 470 1 -ATOM 3602 C CB . MET A 1 470 . 11.493 81.22 49.444 1 14.61 ? CB MET A 470 1 -ATOM 3603 C CG . MET A 1 470 . 10.687 81.174 50.737 1 15.84 ? CG MET A 470 1 -ATOM 3604 S SD . MET A 1 470 . 9.476 82.526 50.688 1 15.15 ? SD MET A 470 1 -ATOM 3605 C CE . MET A 1 470 . 10.636 83.92 50.863 1 15.78 ? CE MET A 470 1 -ATOM 3606 N N . HIS A 1 471 . 13.896 80.417 47.493 1 17.2 ? N HIS A 471 1 -ATOM 3607 C CA . HIS A 1 471 . 14.352 80.401 46.118 1 21.69 ? CA HIS A 471 1 -ATOM 3608 C C . HIS A 1 471 . 14.757 78.995 45.748 1 20.45 ? C HIS A 471 1 -ATOM 3609 O O . HIS A 1 471 . 14.348 78.472 44.731 1 20.2 ? O HIS A 471 1 -ATOM 3610 C CB . HIS A 1 471 . 15.475 81.429 45.913 1 29.47 ? CB HIS A 471 1 -ATOM 3611 C CG . HIS A 1 471 . 15.657 81.781 44.446 1 33.27 ? CG HIS A 471 1 -ATOM 3612 N ND1 . HIS A 1 471 . 14.668 82.211 43.634 1 33.46 ? ND1 HIS A 471 1 -ATOM 3613 C CD2 . HIS A 1 471 . 16.854 81.743 43.693 1 34.65 ? CD2 HIS A 471 1 -ATOM 3614 C CE1 . HIS A 1 471 . 15.227 82.43 42.433 1 37.54 ? CE1 HIS A 471 1 -ATOM 3615 N NE2 . HIS A 1 471 . 16.548 82.159 42.446 1 37.05 ? NE2 HIS A 471 1 -ATOM 3616 N N . TYR A 1 472 . 15.524 78.353 46.625 1 21.14 ? N TYR A 472 1 -ATOM 3617 C CA . TYR A 1 472 . 15.949 76.982 46.342 1 19.71 ? CA TYR A 472 1 -ATOM 3618 C C . TYR A 1 472 . 14.75 76.076 46.083 1 20.98 ? C TYR A 472 1 -ATOM 3619 O O . TYR A 1 472 . 14.714 75.22 45.206 1 22.37 ? O TYR A 472 1 -ATOM 3620 C CB . TYR A 1 472 . 16.667 76.379 47.569 1 20.34 ? CB TYR A 472 1 -ATOM 3621 C CG . TYR A 1 472 . 18.07 76.843 47.86 1 23.95 ? CG TYR A 472 1 -ATOM 3622 C CD1 . TYR A 1 472 . 18.992 77.017 46.826 1 24.9 ? CD1 TYR A 472 1 -ATOM 3623 C CD2 . TYR A 1 472 . 18.484 77.038 49.186 1 26.94 ? CD2 TYR A 472 1 -ATOM 3624 C CE1 . TYR A 1 472 . 20.319 77.345 47.103 1 26.1 ? CE1 TYR A 472 1 -ATOM 3625 C CE2 . TYR A 1 472 . 19.814 77.368 49.468 1 30.01 ? CE2 TYR A 472 1 -ATOM 3626 C CZ . TYR A 1 472 . 20.74 77.515 48.424 1 30.84 ? CZ TYR A 472 1 -ATOM 3627 O OH . TYR A 1 472 . 22.066 77.823 48.69 1 36.97 ? OH TYR A 472 1 -ATOM 3628 N N . TRP A 1 473 . 13.744 76.283 46.923 1 18.72 ? N TRP A 473 1 -ATOM 3629 C CA . TRP A 1 473 . 12.55 75.483 46.804 1 20.3 ? CA TRP A 473 1 -ATOM 3630 C C . TRP A 1 473 . 11.855 75.781 45.475 1 20.82 ? C TRP A 473 1 -ATOM 3631 O O . TRP A 1 473 . 11.469 74.865 44.757 1 22.52 ? O TRP A 473 1 -ATOM 3632 C CB . TRP A 1 473 . 11.611 75.704 48.027 1 17.97 ? CB TRP A 473 1 -ATOM 3633 C CG . TRP A 1 473 . 11.772 74.677 49.157 1 18.66 ? CG TRP A 473 1 -ATOM 3634 C CD1 . TRP A 1 473 . 10.715 73.896 49.684 1 15 ? CD1 TRP A 473 1 -ATOM 3635 C CD2 . TRP A 1 473 . 12.93 74.304 49.885 1 16.88 ? CD2 TRP A 473 1 -ATOM 3636 N NE1 . TRP A 1 473 . 11.154 73.078 50.675 1 14.33 ? NE1 TRP A 473 1 -ATOM 3637 C CE2 . TRP A 1 473 . 12.501 73.272 50.857 1 13.46 ? CE2 TRP A 473 1 -ATOM 3638 C CE3 . TRP A 1 473 . 14.272 74.684 49.864 1 18.34 ? CE3 TRP A 473 1 -ATOM 3639 C CZ2 . TRP A 1 473 . 13.458 72.703 51.715 1 10.94 ? CZ2 TRP A 473 1 -ATOM 3640 C CZ3 . TRP A 1 473 . 15.204 74.093 50.741 1 15.94 ? CZ3 TRP A 473 1 -ATOM 3641 C CH2 . TRP A 1 473 . 14.797 73.118 51.659 1 13.44 ? CH2 TRP A 473 1 -ATOM 3642 N N . ALA A 1 474 . 11.725 77.08 45.143 1 18.06 ? N ALA A 474 1 -ATOM 3643 C CA . ALA A 1 474 . 11.038 77.443 43.897 1 12.46 ? CA ALA A 474 1 -ATOM 3644 C C . ALA A 1 474 . 11.815 76.997 42.682 1 10.86 ? C ALA A 474 1 -ATOM 3645 O O . ALA A 1 474 . 11.29 76.292 41.835 1 13.28 ? O ALA A 474 1 -ATOM 3646 C CB . ALA A 1 474 . 10.74 78.933 43.835 1 11.11 ? CB ALA A 474 1 -ATOM 3647 N N . THR A 1 475 . 13.074 77.399 42.593 1 7.89 ? N THR A 475 1 -ATOM 3648 C CA . THR A 1 475 . 13.95 77.014 41.495 1 9.64 ? CA THR A 475 1 -ATOM 3649 C C . THR A 1 475 . 14.029 75.501 41.324 1 12.78 ? C THR A 475 1 -ATOM 3650 O O . THR A 1 475 . 14.08 74.974 40.219 1 12.13 ? O THR A 475 1 -ATOM 3651 C CB . THR A 1 475 . 15.327 77.597 41.792 1 7.84 ? CB THR A 475 1 -ATOM 3652 O OG1 . THR A 1 475 . 15.073 78.985 41.895 1 11.47 ? OG1 THR A 475 1 -ATOM 3653 C CG2 . THR A 1 475 . 16.398 77.356 40.722 1 6.36 ? CG2 THR A 475 1 -ATOM 3654 N N . PHE A 1 476 . 14.034 74.766 42.439 1 16.53 ? N PHE A 476 1 -ATOM 3655 C CA . PHE A 1 476 . 14.063 73.322 42.254 1 16.97 ? CA PHE A 476 1 -ATOM 3656 C C . PHE A 1 476 . 12.729 72.858 41.634 1 19.25 ? C PHE A 476 1 -ATOM 3657 O O . PHE A 1 476 . 12.684 71.957 40.806 1 20.45 ? O PHE A 476 1 -ATOM 3658 C CB . PHE A 1 476 . 14.322 72.604 43.592 1 14.69 ? CB PHE A 476 1 -ATOM 3659 C CG . PHE A 1 476 . 14.13 71.11 43.47 1 8.02 ? CG PHE A 476 1 -ATOM 3660 C CD1 . PHE A 1 476 . 15.191 70.29 43.041 1 8.4 ? CD1 PHE A 476 1 -ATOM 3661 C CD2 . PHE A 1 476 . 12.871 70.541 43.736 1 2 ? CD2 PHE A 476 1 -ATOM 3662 C CE1 . PHE A 1 476 . 14.993 68.913 42.87 1 8.04 ? CE1 PHE A 476 1 -ATOM 3663 C CE2 . PHE A 1 476 . 12.666 69.171 43.563 1 2 ? CE2 PHE A 476 1 -ATOM 3664 C CZ . PHE A 1 476 . 13.726 68.359 43.132 1 8.31 ? CZ PHE A 476 1 -ATOM 3665 N N . ALA A 1 477 . 11.641 73.498 42.056 1 19.29 ? N ALA A 477 1 -ATOM 3666 C CA . ALA A 1 477 . 10.344 73.088 41.528 1 23.33 ? CA ALA A 477 1 -ATOM 3667 C C . ALA A 1 477 . 10.208 73.333 40.055 1 25.47 ? C ALA A 477 1 -ATOM 3668 O O . ALA A 1 477 . 9.512 72.608 39.359 1 31.09 ? O ALA A 477 1 -ATOM 3669 C CB . ALA A 1 477 . 9.185 73.787 42.257 1 21.87 ? CB ALA A 477 1 -ATOM 3670 N N . LYS A 1 478 . 10.871 74.396 39.589 1 25.09 ? N LYS A 478 1 -ATOM 3671 C CA . LYS A 1 478 . 10.77 74.689 38.16 1 23.32 ? CA LYS A 478 1 -ATOM 3672 C C . LYS A 1 478 . 11.755 73.867 37.357 1 20.81 ? C LYS A 478 1 -ATOM 3673 O O . LYS A 1 478 . 11.423 73.053 36.521 1 26.35 ? O LYS A 478 1 -ATOM 3674 C CB . LYS A 1 478 . 11.013 76.172 37.858 1 24.55 ? CB LYS A 478 1 -ATOM 3675 C CG . LYS A 1 478 . 10.29 77.145 38.788 1 27.31 ? CG LYS A 478 1 -ATOM 3676 C CD . LYS A 1 478 . 10.07 78.487 38.068 1 36.59 ? CD LYS A 478 1 -ATOM 3677 N N . THR A 1 479 . 13.002 74.13 37.645 1 15.01 ? N THR A 479 1 -ATOM 3678 C CA . THR A 1 479 . 14.102 73.509 36.995 1 13.07 ? CA THR A 479 1 -ATOM 3679 C C . THR A 1 479 . 14.392 72.091 37.362 1 16.43 ? C THR A 479 1 -ATOM 3680 O O . THR A 1 479 . 14.615 71.263 36.499 1 22.36 ? O THR A 479 1 -ATOM 3681 C CB . THR A 1 479 . 15.332 74.313 37.42 1 13.16 ? CB THR A 479 1 -ATOM 3682 O OG1 . THR A 1 479 . 15.09 75.645 37.005 1 20.56 ? OG1 THR A 479 1 -ATOM 3683 C CG2 . THR A 1 479 . 16.67 73.866 36.836 1 19.93 ? CG2 THR A 479 1 -ATOM 3684 N N . GLY A 1 480 . 14.472 71.805 38.653 1 20.24 ? N GLY A 480 1 -ATOM 3685 C CA . GLY A 1 480 . 14.836 70.44 39.044 1 16.81 ? CA GLY A 480 1 -ATOM 3686 C C . GLY A 1 480 . 16.209 70.443 39.664 1 15.43 ? C GLY A 480 1 -ATOM 3687 O O . GLY A 1 480 . 16.827 69.429 39.964 1 16.07 ? O GLY A 480 1 -ATOM 3688 N N . ASN A 1 481 . 16.709 71.653 39.846 1 13.23 ? N ASN A 481 1 -ATOM 3689 C CA . ASN A 1 481 . 18.005 71.873 40.445 1 15.96 ? CA ASN A 481 1 -ATOM 3690 C C . ASN A 1 481 . 17.73 73.119 41.247 1 18.94 ? C ASN A 481 1 -ATOM 3691 O O . ASN A 1 481 . 17.024 73.96 40.705 1 22.56 ? O ASN A 481 1 -ATOM 3692 C CB . ASN A 1 481 . 19.029 72.126 39.349 1 17.9 ? CB ASN A 481 1 -ATOM 3693 C CG . ASN A 1 481 . 20.375 72.417 39.921 1 19.48 ? CG ASN A 481 1 -ATOM 3694 O OD1 . ASN A 1 481 . 20.513 73.084 40.924 1 25.74 ? OD1 ASN A 481 1 -ATOM 3695 N ND2 . ASN A 1 481 . 21.399 71.899 39.278 1 23.51 ? ND2 ASN A 481 1 -ATOM 3696 N N . PRO A 1 482 . 18.168 73.197 42.528 1 19.54 ? N PRO A 482 1 -ATOM 3697 C CA . PRO A 1 482 . 17.886 74.366 43.366 1 19.34 ? CA PRO A 482 1 -ATOM 3698 C C . PRO A 1 482 . 18.739 75.583 43.049 1 21.48 ? C PRO A 482 1 -ATOM 3699 O O . PRO A 1 482 . 18.451 76.7 43.465 1 21.62 ? O PRO A 482 1 -ATOM 3700 C CB . PRO A 1 482 . 18.23 73.874 44.785 1 18.08 ? CB PRO A 482 1 -ATOM 3701 C CG . PRO A 1 482 . 19.205 72.705 44.604 1 16.26 ? CG PRO A 482 1 -ATOM 3702 C CD . PRO A 1 482 . 18.867 72.121 43.238 1 17.03 ? CD PRO A 482 1 -ATOM 3703 N N . ASN A 1 483 . 19.846 75.327 42.358 1 23.18 ? N ASN A 483 1 -ATOM 3704 C CA . ASN A 1 483 . 20.779 76.374 41.991 1 25.35 ? CA ASN A 483 1 -ATOM 3705 C C . ASN A 1 483 . 20.437 77.083 40.708 1 29.38 ? C ASN A 483 1 -ATOM 3706 O O . ASN A 1 483 . 20.162 76.487 39.676 1 31.96 ? O ASN A 483 1 -ATOM 3707 C CB . ASN A 1 483 . 22.151 75.763 41.699 1 22.37 ? CB ASN A 483 1 -ATOM 3708 C CG . ASN A 1 483 . 22.794 75.294 42.96 1 25.4 ? CG ASN A 483 1 -ATOM 3709 O OD1 . ASN A 1 483 . 22.995 74.115 43.211 1 18.89 ? OD1 ASN A 483 1 -ATOM 3710 N ND2 . ASN A 1 483 . 23.13 76.288 43.791 1 27.5 ? ND2 ASN A 483 1 -ATOM 3711 N N . GLU A 1 484 . 20.466 78.424 40.773 1 34.07 ? N GLU A 484 1 -ATOM 3712 C CA . GLU A 1 484 . 20.242 79.176 39.54 1 37.82 ? CA GLU A 484 1 -ATOM 3713 C C . GLU A 1 484 . 21.578 78.951 38.851 1 44.5 ? C GLU A 484 1 -ATOM 3714 O O . GLU A 1 484 . 22.56 78.711 39.559 1 43.46 ? O GLU A 484 1 -ATOM 3715 C CB . GLU A 1 484 . 20.014 80.696 39.74 1 36.04 ? CB GLU A 484 1 -ATOM 3716 C CG . GLU A 1 484 . 18.511 81.037 39.875 1 34.11 ? CG GLU A 484 1 -ATOM 3717 N N . PRO A 1 485 . 21.583 79.025 37.5 1 50.47 ? N PRO A 485 1 -ATOM 3718 C CA . PRO A 1 485 . 22.85 79.019 36.758 1 51.91 ? CA PRO A 485 1 -ATOM 3719 C C . PRO A 1 485 . 23.766 80.205 37.072 1 52.65 ? C PRO A 485 1 -ATOM 3720 O O . PRO A 1 485 . 24.981 80.013 37.035 1 52.72 ? O PRO A 485 1 -ATOM 3721 C CB . PRO A 1 485 . 22.418 78.986 35.283 1 52.01 ? CB PRO A 485 1 -ATOM 3722 C CG . PRO A 1 485 . 20.927 78.579 35.263 1 50.28 ? CG PRO A 485 1 -ATOM 3723 C CD . PRO A 1 485 . 20.381 78.905 36.656 1 49.49 ? CD PRO A 485 1 -ATOM 3724 N N . SER A 1 490 . 26.591 79.111 46.48 1 46.63 ? N SER A 490 1 -ATOM 3725 C CA . SER A 1 490 . 27.53 78.335 45.692 1 45.59 ? CA SER A 490 1 -ATOM 3726 C C . SER A 1 490 . 26.698 77.159 45.269 1 42.64 ? C SER A 490 1 -ATOM 3727 O O . SER A 1 490 . 25.538 77.111 45.674 1 42.6 ? O SER A 490 1 -ATOM 3728 C CB . SER A 1 490 . 28.772 78.073 46.562 1 47.19 ? CB SER A 490 1 -ATOM 3729 O OG . SER A 1 490 . 29.102 79.384 47.073 1 50.73 ? OG SER A 490 1 -ATOM 3730 N N . LYS A 1 491 . 27.241 76.276 44.447 1 38.77 ? N LYS A 491 1 -ATOM 3731 C CA . LYS A 1 491 . 26.402 75.181 44.041 1 36.63 ? CA LYS A 491 1 -ATOM 3732 C C . LYS A 1 491 . 26.177 74.297 45.234 1 33.13 ? C LYS A 491 1 -ATOM 3733 O O . LYS A 1 491 . 27.062 74.134 46.06 1 35.13 ? O LYS A 491 1 -ATOM 3734 C CB . LYS A 1 491 . 27.005 74.422 42.846 1 40.99 ? CB LYS A 491 1 -ATOM 3735 C CG . LYS A 1 491 . 27.213 75.311 41.594 1 48.99 ? CG LYS A 491 1 -ATOM 3736 C CD . LYS A 1 491 . 25.893 75.808 40.953 1 57.24 ? CD LYS A 491 1 -ATOM 3737 C CE . LYS A 1 491 . 26.055 76.967 39.944 1 61.63 ? CE LYS A 491 1 -ATOM 3738 N NZ . LYS A 1 491 . 26.3 78.221 40.64 1 62.54 ? NZ LYS A 491 1 -ATOM 3739 N N . TRP A 1 492 . 24.951 73.815 45.309 1 26.12 ? N TRP A 492 1 -ATOM 3740 C CA . TRP A 1 492 . 24.5 72.929 46.334 1 19 ? CA TRP A 492 1 -ATOM 3741 C C . TRP A 1 492 . 24.755 71.623 45.588 1 18.58 ? C TRP A 492 1 -ATOM 3742 O O . TRP A 1 492 . 24.022 71.332 44.657 1 20.29 ? O TRP A 492 1 -ATOM 3743 C CB . TRP A 1 492 . 22.994 73.252 46.571 1 11.79 ? CB TRP A 492 1 -ATOM 3744 C CG . TRP A 1 492 . 22.225 72.25 47.431 1 10.05 ? CG TRP A 492 1 -ATOM 3745 C CD1 . TRP A 1 492 . 22.584 70.919 47.775 1 7.17 ? CD1 TRP A 492 1 -ATOM 3746 C CD2 . TRP A 1 492 . 20.962 72.476 48.003 1 6.08 ? CD2 TRP A 492 1 -ATOM 3747 N NE1 . TRP A 1 492 . 21.616 70.329 48.509 1 9.72 ? NE1 TRP A 492 1 -ATOM 3748 C CE2 . TRP A 1 492 . 20.594 71.219 48.686 1 6.7 ? CE2 TRP A 492 1 -ATOM 3749 C CE3 . TRP A 1 492 . 20.074 73.558 48.02 1 9.07 ? CE3 TRP A 492 1 -ATOM 3750 C CZ2 . TRP A 1 492 . 19.363 71.13 49.348 1 5.91 ? CZ2 TRP A 492 1 -ATOM 3751 C CZ3 . TRP A 1 492 . 18.846 73.43 48.7 1 6.97 ? CZ3 TRP A 492 1 -ATOM 3752 C CH2 . TRP A 1 492 . 18.498 72.235 49.355 1 4.77 ? CH2 TRP A 492 1 -ATOM 3753 N N . PRO A 1 493 . 25.819 70.87 45.921 1 17.27 ? N PRO A 493 1 -ATOM 3754 C CA . PRO A 1 493 . 26.128 69.659 45.145 1 19.88 ? CA PRO A 493 1 -ATOM 3755 C C . PRO A 1 493 . 25.022 68.629 45.075 1 20.16 ? C PRO A 493 1 -ATOM 3756 O O . PRO A 1 493 . 24.136 68.597 45.921 1 26.93 ? O PRO A 493 1 -ATOM 3757 C CB . PRO A 1 493 . 27.271 68.983 45.936 1 19.03 ? CB PRO A 493 1 -ATOM 3758 C CG . PRO A 1 493 . 27.844 70.063 46.857 1 22.5 ? CG PRO A 493 1 -ATOM 3759 C CD . PRO A 1 493 . 26.749 71.135 47.013 1 18.43 ? CD PRO A 493 1 -ATOM 3760 N N . LEU A 1 494 . 25.13 67.751 44.078 1 18.42 ? N LEU A 494 1 -ATOM 3761 C CA . LEU A 1 494 . 24.14 66.682 43.997 1 19.26 ? CA LEU A 494 1 -ATOM 3762 C C . LEU A 1 494 . 24.604 65.687 45.037 1 21.65 ? C LEU A 494 1 -ATOM 3763 O O . LEU A 1 494 . 25.778 65.617 45.407 1 26.28 ? O LEU A 494 1 -ATOM 3764 C CB . LEU A 1 494 . 24.198 65.863 42.675 1 18.39 ? CB LEU A 494 1 -ATOM 3765 C CG . LEU A 1 494 . 23.502 66.431 41.42 1 14.5 ? CG LEU A 494 1 -ATOM 3766 C CD1 . LEU A 1 494 . 24.072 65.72 40.181 1 14.53 ? CD1 LEU A 494 1 -ATOM 3767 C CD2 . LEU A 1 494 . 21.976 66.245 41.464 1 4.23 ? CD2 LEU A 494 1 -ATOM 3768 N N . PHE A 1 495 . 23.658 64.893 45.485 1 20.58 ? N PHE A 495 1 -ATOM 3769 C CA . PHE A 1 495 . 24.01 63.884 46.449 1 24.09 ? CA PHE A 495 1 -ATOM 3770 C C . PHE A 1 495 . 24.387 62.725 45.561 1 25.16 ? C PHE A 495 1 -ATOM 3771 O O . PHE A 1 495 . 23.678 62.448 44.6 1 27.4 ? O PHE A 495 1 -ATOM 3772 C CB . PHE A 1 495 . 22.79 63.533 47.346 1 24 ? CB PHE A 495 1 -ATOM 3773 C CG . PHE A 1 495 . 23.04 62.305 48.198 1 19.91 ? CG PHE A 495 1 -ATOM 3774 C CD1 . PHE A 1 495 . 22.816 61.023 47.681 1 19.53 ? CD1 PHE A 495 1 -ATOM 3775 C CD2 . PHE A 1 495 . 23.561 62.437 49.487 1 19.87 ? CD2 PHE A 495 1 -ATOM 3776 C CE1 . PHE A 1 495 . 23.152 59.888 48.429 1 23.95 ? CE1 PHE A 495 1 -ATOM 3777 C CE2 . PHE A 1 495 . 23.875 61.305 50.24 1 20.88 ? CE2 PHE A 495 1 -ATOM 3778 C CZ . PHE A 1 495 . 23.69 60.024 49.713 1 20.47 ? CZ PHE A 495 1 -ATOM 3779 N N . THR A 1 496 . 25.487 62.048 45.868 1 26.97 ? N THR A 496 1 -ATOM 3780 C CA . THR A 1 496 . 25.872 60.907 45.06 1 28.29 ? CA THR A 496 1 -ATOM 3781 C C . THR A 1 496 . 26.175 59.786 46.027 1 30.14 ? C THR A 496 1 -ATOM 3782 O O . THR A 1 496 . 26.657 60.005 47.13 1 31.89 ? O THR A 496 1 -ATOM 3783 C CB . THR A 1 496 . 27.053 61.284 44.158 1 30.33 ? CB THR A 496 1 -ATOM 3784 O OG1 . THR A 1 496 . 28.256 61.472 44.897 1 36.96 ? OG1 THR A 496 1 -ATOM 3785 C CG2 . THR A 1 496 . 26.828 62.591 43.379 1 34.12 ? CG2 THR A 496 1 -ATOM 3786 N N . THR A 1 497 . 25.927 58.562 45.611 1 31.97 ? N THR A 497 1 -ATOM 3787 C CA . THR A 1 497 . 26.216 57.468 46.527 1 33.76 ? CA THR A 497 1 -ATOM 3788 C C . THR A 1 497 . 27.712 57.368 46.853 1 37.8 ? C THR A 497 1 -ATOM 3789 O O . THR A 1 497 . 28.118 56.851 47.886 1 40.57 ? O THR A 497 1 -ATOM 3790 C CB . THR A 1 497 . 25.634 56.185 45.937 1 32.55 ? CB THR A 497 1 -ATOM 3791 O OG1 . THR A 1 497 . 26.015 56.13 44.56 1 37.23 ? OG1 THR A 497 1 -ATOM 3792 C CG2 . THR A 1 497 . 24.099 56.14 45.988 1 34.37 ? CG2 THR A 497 1 -ATOM 3793 N N . LYS A 1 498 . 28.511 57.888 45.908 1 40.37 ? N LYS A 498 1 -ATOM 3794 C CA . LYS A 1 498 . 29.96 57.887 46.057 1 42.8 ? CA LYS A 498 1 -ATOM 3795 C C . LYS A 1 498 . 30.373 58.851 47.147 1 42.93 ? C LYS A 498 1 -ATOM 3796 O O . LYS A 1 498 . 30.764 58.517 48.254 1 43.73 ? O LYS A 498 1 -ATOM 3797 C CB . LYS A 1 498 . 30.722 58.284 44.762 1 42.58 ? CB LYS A 498 1 -ATOM 3798 N N . GLU A 1 499 . 30.274 60.117 46.782 1 43.38 ? N GLU A 499 1 -ATOM 3799 C CA . GLU A 1 499 . 30.643 61.219 47.656 1 44.02 ? CA GLU A 499 1 -ATOM 3800 C C . GLU A 1 499 . 29.337 61.877 48.026 1 42.03 ? C GLU A 499 1 -ATOM 3801 O O . GLU A 1 499 . 28.832 62.794 47.38 1 45.5 ? O GLU A 499 1 -ATOM 3802 C CB . GLU A 1 499 . 31.619 62.139 46.899 1 45.86 ? CB GLU A 499 1 -ATOM 3803 C CG . GLU A 1 499 . 31.172 62.342 45.437 1 45.32 ? CG GLU A 499 1 -ATOM 3804 N N . GLN A 1 500 . 28.787 61.317 49.089 1 36.62 ? N GLN A 500 1 -ATOM 3805 C CA . GLN A 1 500 . 27.509 61.713 49.653 1 33.88 ? CA GLN A 500 1 -ATOM 3806 C C . GLN A 1 500 . 27.47 63.138 50.196 1 31.5 ? C GLN A 500 1 -ATOM 3807 O O . GLN A 1 500 . 27.473 63.311 51.409 1 37.01 ? O GLN A 500 1 -ATOM 3808 C CB . GLN A 1 500 . 27.23 60.692 50.764 1 35.36 ? CB GLN A 500 1 -ATOM 3809 C CG . GLN A 1 500 . 27.456 59.25 50.291 1 34.03 ? CG GLN A 500 1 -ATOM 3810 C CD . GLN A 1 500 . 26.779 58.232 51.164 1 36.65 ? CD GLN A 500 1 -ATOM 3811 O OE1 . GLN A 1 500 . 26.191 58.493 52.215 1 38.59 ? OE1 GLN A 500 1 -ATOM 3812 N NE2 . GLN A 1 500 . 26.894 57.016 50.684 1 39.33 ? NE2 GLN A 500 1 -ATOM 3813 N N . LYS A 1 501 . 27.434 64.14 49.321 1 26.18 ? N LYS A 501 1 -ATOM 3814 C CA . LYS A 1 501 . 27.421 65.517 49.789 1 21.65 ? CA LYS A 501 1 -ATOM 3815 C C . LYS A 1 501 . 26.041 66.019 50.134 1 21.55 ? C LYS A 501 1 -ATOM 3816 O O . LYS A 1 501 . 25.049 65.554 49.594 1 21.6 ? O LYS A 501 1 -ATOM 3817 C CB . LYS A 1 501 . 27.978 66.424 48.693 1 22.57 ? CB LYS A 501 1 -ATOM 3818 C CG . LYS A 1 501 . 29.489 66.261 48.541 1 27.22 ? CG LYS A 501 1 -ATOM 3819 C CD . LYS A 1 501 . 29.927 66.053 47.091 1 34.72 ? CD LYS A 501 1 -ATOM 3820 C CE . LYS A 1 501 . 31.419 66.344 46.895 1 37.58 ? CE LYS A 501 1 -ATOM 3821 N NZ . LYS A 1 501 . 31.651 67.784 46.932 1 41.05 ? NZ LYS A 501 1 -ATOM 3822 N N . PHE A 1 502 . 26.03 67.015 51.026 1 19.88 ? N PHE A 502 1 -ATOM 3823 C CA . PHE A 1 502 . 24.828 67.687 51.502 1 20.61 ? CA PHE A 502 1 -ATOM 3824 C C . PHE A 1 502 . 25.297 69.03 51.998 1 21.35 ? C PHE A 502 1 -ATOM 3825 O O . PHE A 1 502 . 26.501 69.257 52.126 1 20.82 ? O PHE A 502 1 -ATOM 3826 C CB . PHE A 1 502 . 24.091 66.939 52.623 1 20.67 ? CB PHE A 502 1 -ATOM 3827 C CG . PHE A 1 502 . 24.852 66.899 53.936 1 19.91 ? CG PHE A 502 1 -ATOM 3828 C CD1 . PHE A 1 502 . 24.654 67.907 54.902 1 19.7 ? CD1 PHE A 502 1 -ATOM 3829 C CD2 . PHE A 1 502 . 25.717 65.828 54.225 1 18.02 ? CD2 PHE A 502 1 -ATOM 3830 C CE1 . PHE A 1 502 . 25.28 67.827 56.149 1 16.32 ? CE1 PHE A 502 1 -ATOM 3831 C CE2 . PHE A 1 502 . 26.338 65.743 55.477 1 16.24 ? CE2 PHE A 502 1 -ATOM 3832 C CZ . PHE A 1 502 . 26.11 66.737 56.438 1 16.77 ? CZ PHE A 502 1 -ATOM 3833 N N . ILE A 1 503 . 24.34 69.909 52.303 1 19.7 ? N ILE A 503 1 -ATOM 3834 C CA . ILE A 1 503 . 24.756 71.214 52.769 1 21.62 ? CA ILE A 503 1 -ATOM 3835 C C . ILE A 1 503 . 24.054 71.584 54.048 1 23.19 ? C ILE A 503 1 -ATOM 3836 O O . ILE A 1 503 . 23.018 71.033 54.414 1 26.92 ? O ILE A 503 1 -ATOM 3837 C CB . ILE A 1 503 . 24.485 72.259 51.67 1 20.67 ? CB ILE A 503 1 -ATOM 3838 C CG1 . ILE A 1 503 . 23.007 72.413 51.293 1 18.01 ? CG1 ILE A 503 1 -ATOM 3839 C CG2 . ILE A 1 503 . 25.304 71.926 50.425 1 24.07 ? CG2 ILE A 503 1 -ATOM 3840 C CD1 . ILE A 1 503 . 22.765 73.733 50.558 1 17.69 ? CD1 ILE A 503 1 -ATOM 3841 N N . ASP A 1 504 . 24.667 72.543 54.74 1 23.58 ? N ASP A 504 1 -ATOM 3842 C CA . ASP A 1 504 . 24.075 73.039 55.972 1 24.35 ? CA ASP A 504 1 -ATOM 3843 C C . ASP A 1 504 . 23.161 74.165 55.53 1 23.37 ? C ASP A 504 1 -ATOM 3844 O O . ASP A 1 504 . 23.494 74.928 54.633 1 26.8 ? O ASP A 504 1 -ATOM 3845 C CB . ASP A 1 504 . 25.142 73.603 56.917 1 28.56 ? CB ASP A 504 1 -ATOM 3846 C CG . ASP A 1 504 . 25.866 72.563 57.755 1 31.28 ? CG ASP A 504 1 -ATOM 3847 O OD1 . ASP A 1 504 . 25.449 71.404 57.795 1 30.48 ? OD1 ASP A 504 1 -ATOM 3848 O OD2 . ASP A 1 504 . 26.854 72.935 58.387 1 36.62 ? OD2 ASP A 504 1 -ATOM 3849 N N . LEU A 1 505 . 22.027 74.291 56.181 1 21.29 ? N LEU A 505 1 -ATOM 3850 C CA . LEU A 1 505 . 21.099 75.326 55.795 1 19.77 ? CA LEU A 505 1 -ATOM 3851 C C . LEU A 1 505 . 20.89 76.199 57.017 1 22.78 ? C LEU A 505 1 -ATOM 3852 O O . LEU A 1 505 . 20.004 75.992 57.834 1 27.15 ? O LEU A 505 1 -ATOM 3853 C CB . LEU A 1 505 . 19.843 74.574 55.338 1 16 ? CB LEU A 505 1 -ATOM 3854 C CG . LEU A 1 505 . 19.007 75.26 54.277 1 14.53 ? CG LEU A 505 1 -ATOM 3855 C CD1 . LEU A 1 505 . 19.803 75.551 52.994 1 11.95 ? CD1 LEU A 505 1 -ATOM 3856 C CD2 . LEU A 1 505 . 17.796 74.358 53.969 1 13.12 ? CD2 LEU A 505 1 -ATOM 3857 N N . ASN A 1 506 . 21.768 77.168 57.181 1 22.31 ? N ASN A 506 1 -ATOM 3858 C CA . ASN A 1 506 . 21.673 78.071 58.314 1 23.56 ? CA ASN A 506 1 -ATOM 3859 C C . ASN A 1 506 . 22.193 79.378 57.791 1 26.6 ? C ASN A 506 1 -ATOM 3860 O O . ASN A 1 506 . 22.67 79.422 56.675 1 31.76 ? O ASN A 506 1 -ATOM 3861 C CB . ASN A 1 506 . 22.439 77.572 59.537 1 21.45 ? CB ASN A 506 1 -ATOM 3862 C CG . ASN A 1 506 . 23.91 77.47 59.239 1 21.54 ? CG ASN A 506 1 -ATOM 3863 O OD1 . ASN A 1 506 . 24.511 78.471 58.895 1 15.8 ? OD1 ASN A 506 1 -ATOM 3864 N ND2 . ASN A 1 506 . 24.483 76.272 59.376 1 18.47 ? ND2 ASN A 506 1 -ATOM 3865 N N . THR A 1 507 . 22.104 80.426 58.594 1 26.94 ? N THR A 507 1 -ATOM 3866 C CA . THR A 1 507 . 22.532 81.752 58.159 1 28.8 ? CA THR A 507 1 -ATOM 3867 C C . THR A 1 507 . 24.014 82.032 57.809 1 31.21 ? C THR A 507 1 -ATOM 3868 O O . THR A 1 507 . 24.354 83.131 57.382 1 32.73 ? O THR A 507 1 -ATOM 3869 C CB . THR A 1 507 . 22.051 82.754 59.214 1 29.17 ? CB THR A 507 1 -ATOM 3870 O OG1 . THR A 1 507 . 22.596 82.406 60.489 1 30.67 ? OG1 THR A 507 1 -ATOM 3871 C CG2 . THR A 1 507 . 20.523 82.841 59.393 1 27.48 ? CG2 THR A 507 1 -ATOM 3872 N N . GLU A 1 508 . 24.918 81.088 58.022 1 33.28 ? N GLU A 508 1 -ATOM 3873 C CA . GLU A 1 508 . 26.312 81.365 57.69 1 37.8 ? CA GLU A 508 1 -ATOM 3874 C C . GLU A 1 508 . 26.534 81.12 56.192 1 43.12 ? C GLU A 508 1 -ATOM 3875 O O . GLU A 1 508 . 25.679 80.61 55.477 1 46.45 ? O GLU A 508 1 -ATOM 3876 C CB . GLU A 1 508 . 27.222 80.495 58.56 1 36.74 ? CB GLU A 508 1 -ATOM 3877 C CG . GLU A 1 508 . 27.087 80.878 60.03 1 37.93 ? CG GLU A 508 1 -ATOM 3878 N N . PRO A 1 509 . 27.753 81.462 55.723 1 45.16 ? N PRO A 509 1 -ATOM 3879 C CA . PRO A 1 509 . 28.326 80.814 54.543 1 45.89 ? CA PRO A 509 1 -ATOM 3880 C C . PRO A 1 509 . 28.195 79.279 54.48 1 46.4 ? C PRO A 509 1 -ATOM 3881 O O . PRO A 1 509 . 28.728 78.532 55.291 1 47.25 ? O PRO A 509 1 -ATOM 3882 C CB . PRO A 1 509 . 29.783 81.285 54.586 1 47.53 ? CB PRO A 509 1 -ATOM 3883 C CG . PRO A 1 509 . 29.772 82.639 55.328 1 49.06 ? CG PRO A 509 1 -ATOM 3884 C CD . PRO A 1 509 . 28.515 82.611 56.209 1 47.98 ? CD PRO A 509 1 -ATOM 3885 N N . MET A 1 510 . 27.466 78.864 53.443 1 45.34 ? N MET A 510 1 -ATOM 3886 C CA . MET A 1 510 . 27.173 77.47 53.14 1 43.84 ? CA MET A 510 1 -ATOM 3887 C C . MET A 1 510 . 28.368 76.54 53.244 1 42.69 ? C MET A 510 1 -ATOM 3888 O O . MET A 1 510 . 29.455 76.849 52.775 1 45.05 ? O MET A 510 1 -ATOM 3889 C CB . MET A 1 510 . 26.687 77.42 51.678 1 44.66 ? CB MET A 510 1 -ATOM 3890 C CG . MET A 1 510 . 25.631 76.352 51.383 1 48.03 ? CG MET A 510 1 -ATOM 3891 S SD . MET A 1 510 . 25.524 76.214 49.574 1 48.04 ? SD MET A 510 1 -ATOM 3892 C CE . MET A 1 510 . 26.976 75.147 49.315 1 46.5 ? CE MET A 510 1 -ATOM 3893 N N . LYS A 1 511 . 28.127 75.365 53.813 1 38.25 ? N LYS A 511 1 -ATOM 3894 C CA . LYS A 1 511 . 29.199 74.402 53.925 1 37.85 ? CA LYS A 511 1 -ATOM 3895 C C . LYS A 1 511 . 28.612 73.139 53.386 1 36.58 ? C LYS A 511 1 -ATOM 3896 O O . LYS A 1 511 . 27.443 72.831 53.59 1 41.64 ? O LYS A 511 1 -ATOM 3897 C CB . LYS A 1 511 . 29.68 74.208 55.364 1 39.61 ? CB LYS A 511 1 -ATOM 3898 C CG . LYS A 1 511 . 30.365 75.483 55.888 1 45.9 ? CG LYS A 511 1 -ATOM 3899 N N . VAL A 1 512 . 29.451 72.433 52.668 1 33.4 ? N VAL A 512 1 -ATOM 3900 C CA . VAL A 1 512 . 29.092 71.186 52.072 1 31.1 ? CA VAL A 512 1 -ATOM 3901 C C . VAL A 1 512 . 29.763 70.204 52.995 1 31.86 ? C VAL A 512 1 -ATOM 3902 O O . VAL A 1 512 . 30.877 70.441 53.458 1 35.08 ? O VAL A 512 1 -ATOM 3903 C CB . VAL A 1 512 . 29.715 71.171 50.663 1 29.54 ? CB VAL A 512 1 -ATOM 3904 C CG1 . VAL A 1 512 . 29.595 69.803 49.976 1 24.94 ? CG1 VAL A 512 1 -ATOM 3905 C CG2 . VAL A 1 512 . 29.173 72.324 49.782 1 24.63 ? CG2 VAL A 512 1 -ATOM 3906 N N . HIS A 1 513 . 29.103 69.099 53.252 1 30.57 ? N HIS A 513 1 -ATOM 3907 C CA . HIS A 1 513 . 29.684 68.11 54.137 1 28.81 ? CA HIS A 513 1 -ATOM 3908 C C . HIS A 1 513 . 29.496 66.808 53.442 1 25.76 ? C HIS A 513 1 -ATOM 3909 O O . HIS A 1 513 . 29.01 66.767 52.325 1 25.49 ? O HIS A 513 1 -ATOM 3910 C CB . HIS A 1 513 . 28.911 68.108 55.46 1 30.36 ? CB HIS A 513 1 -ATOM 3911 C CG . HIS A 1 513 . 29.01 69.433 56.177 1 30.18 ? CG HIS A 513 1 -ATOM 3912 N ND1 . HIS A 1 513 . 29.984 69.762 57.046 1 27.05 ? ND1 HIS A 513 1 -ATOM 3913 C CD2 . HIS A 1 513 . 28.12 70.531 56.077 1 30.29 ? CD2 HIS A 513 1 -ATOM 3914 C CE1 . HIS A 1 513 . 29.71 71.006 57.465 1 29.04 ? CE1 HIS A 513 1 -ATOM 3915 N NE2 . HIS A 1 513 . 28.595 71.488 56.893 1 27.19 ? NE2 HIS A 513 1 -ATOM 3916 N N . GLN A 1 514 . 29.878 65.729 54.107 1 26.12 ? N GLN A 514 1 -ATOM 3917 C CA . GLN A 1 514 . 29.7 64.446 53.466 1 28.73 ? CA GLN A 514 1 -ATOM 3918 C C . GLN A 1 514 . 29.154 63.479 54.488 1 26.2 ? C GLN A 514 1 -ATOM 3919 O O . GLN A 1 514 . 29.258 63.668 55.688 1 28.26 ? O GLN A 514 1 -ATOM 3920 C CB . GLN A 1 514 . 31.047 63.886 52.982 1 34.39 ? CB GLN A 514 1 -ATOM 3921 C CG . GLN A 1 514 . 31.757 64.771 51.948 1 43.27 ? CG GLN A 514 1 -ATOM 3922 C CD . GLN A 1 514 . 32.749 63.918 51.176 1 50.37 ? CD GLN A 514 1 -ATOM 3923 O OE1 . GLN A 1 514 . 32.742 63.829 49.961 1 54.52 ? OE1 GLN A 514 1 -ATOM 3924 N NE2 . GLN A 1 514 . 33.595 63.232 51.934 1 54.93 ? NE2 GLN A 514 1 -ATOM 3925 N N . ARG A 1 515 . 28.572 62.43 53.95 1 22.03 ? N ARG A 515 1 -ATOM 3926 C CA . ARG A 1 515 . 28.017 61.34 54.718 1 25.43 ? CA ARG A 515 1 -ATOM 3927 C C . ARG A 1 515 . 27.241 61.698 55.989 1 26.46 ? C ARG A 515 1 -ATOM 3928 O O . ARG A 1 515 . 27.659 61.338 57.085 1 28.69 ? O ARG A 515 1 -ATOM 3929 C CB . ARG A 1 515 . 29.141 60.36 55.035 1 22.7 ? CB ARG A 515 1 -ATOM 3930 C CG . ARG A 1 515 . 30.029 60.068 53.829 1 28.79 ? CG ARG A 515 1 -ATOM 3931 C CD . ARG A 1 515 . 30.769 58.73 53.914 1 32.56 ? CD ARG A 515 1 -ATOM 3932 N NE . ARG A 1 515 . 31.746 58.638 52.841 1 36.56 ? NE ARG A 515 1 -ATOM 3933 N N . LEU A 1 516 . 26.088 62.384 55.818 1 26.31 ? N LEU A 516 1 -ATOM 3934 C CA . LEU A 1 516 . 25.24 62.77 56.973 1 23.29 ? CA LEU A 516 1 -ATOM 3935 C C . LEU A 1 516 . 25.011 61.575 57.903 1 23.73 ? C LEU A 516 1 -ATOM 3936 O O . LEU A 1 516 . 24.396 60.585 57.519 1 27.68 ? O LEU A 516 1 -ATOM 3937 C CB . LEU A 1 516 . 23.86 63.311 56.494 1 18.5 ? CB LEU A 516 1 -ATOM 3938 C CG . LEU A 1 516 . 22.863 63.749 57.589 1 14.83 ? CG LEU A 516 1 -ATOM 3939 C CD1 . LEU A 1 516 . 23.39 64.914 58.426 1 12.67 ? CD1 LEU A 516 1 -ATOM 3940 C CD2 . LEU A 1 516 . 21.511 64.142 56.982 1 13.11 ? CD2 LEU A 516 1 -ATOM 3941 N N . ARG A 1 517 . 25.558 61.711 59.122 1 20.27 ? N ARG A 517 1 -ATOM 3942 C CA . ARG A 1 517 . 25.469 60.716 60.191 1 17.84 ? CA ARG A 517 1 -ATOM 3943 C C . ARG A 1 517 . 25.761 59.285 59.806 1 15.26 ? C ARG A 517 1 -ATOM 3944 O O . ARG A 1 517 . 24.978 58.42 60.175 1 16.45 ? O ARG A 517 1 -ATOM 3945 C CB . ARG A 1 517 . 24.117 60.794 60.935 1 19.67 ? CB ARG A 517 1 -ATOM 3946 C CG . ARG A 1 517 . 23.89 62.214 61.487 1 30.15 ? CG ARG A 517 1 -ATOM 3947 C CD . ARG A 1 517 . 22.794 62.298 62.55 1 36.82 ? CD ARG A 517 1 -ATOM 3948 N NE . ARG A 1 517 . 23.183 61.635 63.783 1 41.57 ? NE ARG A 517 1 -ATOM 3949 C CZ . ARG A 1 517 . 23.891 62.251 64.733 1 43.2 ? CZ ARG A 517 1 -ATOM 3950 N NH1 . ARG A 1 517 . 24.358 63.482 64.526 1 47.32 ? NH1 ARG A 517 1 -ATOM 3951 N NH2 . ARG A 1 517 . 24.121 61.624 65.89 1 42.62 ? NH2 ARG A 517 1 -ATOM 3952 N N . VAL A 1 518 . 26.889 59.019 59.127 1 13.18 ? N VAL A 518 1 -ATOM 3953 C CA . VAL A 1 518 . 27.135 57.612 58.778 1 17.36 ? CA VAL A 518 1 -ATOM 3954 C C . VAL A 1 518 . 27.213 56.664 59.963 1 18.52 ? C VAL A 518 1 -ATOM 3955 O O . VAL A 1 518 . 26.413 55.754 60.096 1 14.69 ? O VAL A 518 1 -ATOM 3956 C CB . VAL A 1 518 . 28.401 57.398 57.912 1 18.87 ? CB VAL A 518 1 -ATOM 3957 C CG1 . VAL A 1 518 . 27.97 57.12 56.474 1 28.46 ? CG1 VAL A 518 1 -ATOM 3958 C CG2 . VAL A 1 518 . 29.428 58.554 57.996 1 21.55 ? CG2 VAL A 518 1 -ATOM 3959 N N . GLN A 1 519 . 28.214 56.902 60.832 1 22.65 ? N GLN A 519 1 -ATOM 3960 C CA . GLN A 1 519 . 28.449 56.063 62.017 1 24.45 ? CA GLN A 519 1 -ATOM 3961 C C . GLN A 1 519 . 27.175 55.603 62.702 1 22.52 ? C GLN A 519 1 -ATOM 3962 O O . GLN A 1 519 . 26.929 54.421 62.883 1 24 ? O GLN A 519 1 -ATOM 3963 C CB . GLN A 1 519 . 29.347 56.8 63.032 1 32.94 ? CB GLN A 519 1 -ATOM 3964 C CG . GLN A 1 519 . 30.815 57.005 62.565 1 45.37 ? CG GLN A 519 1 -ATOM 3965 C CD . GLN A 1 519 . 31.899 56.076 63.138 1 53.76 ? CD GLN A 519 1 -ATOM 3966 O OE1 . GLN A 1 519 . 32.995 56.074 62.6 1 55.27 ? OE1 GLN A 519 1 -ATOM 3967 N NE2 . GLN A 1 519 . 31.604 55.292 64.188 1 57.01 ? NE2 GLN A 519 1 -ATOM 3968 N N . MET A 1 520 . 26.362 56.589 63.069 1 18.13 ? N MET A 520 1 -ATOM 3969 C CA . MET A 1 520 . 25.139 56.218 63.731 1 17.36 ? CA MET A 520 1 -ATOM 3970 C C . MET A 1 520 . 24.192 55.493 62.79 1 17.54 ? C MET A 520 1 -ATOM 3971 O O . MET A 1 520 . 23.574 54.475 63.097 1 20.36 ? O MET A 520 1 -ATOM 3972 C CB . MET A 1 520 . 24.492 57.463 64.356 1 21.26 ? CB MET A 520 1 -ATOM 3973 C CG . MET A 1 520 . 25.296 58.011 65.558 1 29.41 ? CG MET A 520 1 -ATOM 3974 S SD . MET A 1 520 . 25.354 56.747 66.907 1 39.85 ? SD MET A 520 1 -ATOM 3975 C CE . MET A 1 520 . 27.122 56.322 67.005 1 34.92 ? CE MET A 520 1 -ATOM 3976 N N . CYS A 1 521 . 24.081 56.023 61.579 1 17.21 ? N CYS A 521 1 -ATOM 3977 C CA . CYS A 1 521 . 23.154 55.371 60.677 1 14 ? CA CYS A 521 1 -ATOM 3978 C C . CYS A 1 521 . 23.529 53.95 60.292 1 16.98 ? C CYS A 521 1 -ATOM 3979 O O . CYS A 1 521 . 22.612 53.181 60.031 1 17.51 ? O CYS A 521 1 -ATOM 3980 C CB . CYS A 1 521 . 22.786 56.281 59.529 1 8.52 ? CB CYS A 521 1 -ATOM 3981 S SG . CYS A 1 521 . 21.751 57.655 60.125 1 16.59 ? SG CYS A 521 1 -ATOM 3982 N N . VAL A 1 522 . 24.819 53.545 60.268 1 17.4 ? N VAL A 522 1 -ATOM 3983 C CA . VAL A 1 522 . 25.074 52.145 59.913 1 18.14 ? CA VAL A 522 1 -ATOM 3984 C C . VAL A 1 522 . 24.569 51.258 61.053 1 19.65 ? C VAL A 522 1 -ATOM 3985 O O . VAL A 1 522 . 24.107 50.131 60.864 1 20.84 ? O VAL A 522 1 -ATOM 3986 C CB . VAL A 1 522 . 26.535 51.858 59.422 1 18.71 ? CB VAL A 522 1 -ATOM 3987 C CG1 . VAL A 1 522 . 27.443 53.092 59.3 1 18.1 ? CG1 VAL A 522 1 -ATOM 3988 C CG2 . VAL A 1 522 . 27.275 50.71 60.133 1 19.79 ? CG2 VAL A 522 1 -ATOM 3989 N N . PHE A 1 523 . 24.641 51.823 62.273 1 17.39 ? N PHE A 523 1 -ATOM 3990 C CA . PHE A 1 523 . 24.176 51.083 63.433 1 9.03 ? CA PHE A 523 1 -ATOM 3991 C C . PHE A 1 523 . 22.695 50.785 63.259 1 8.45 ? C PHE A 523 1 -ATOM 3992 O O . PHE A 1 523 . 22.258 49.643 63.346 1 3.41 ? O PHE A 523 1 -ATOM 3993 C CB . PHE A 1 523 . 24.518 51.825 64.769 1 7.45 ? CB PHE A 523 1 -ATOM 3994 C CG . PHE A 1 523 . 23.72 51.305 65.945 1 5.37 ? CG PHE A 523 1 -ATOM 3995 C CD1 . PHE A 1 523 . 24.035 50.067 66.541 1 6.23 ? CD1 PHE A 523 1 -ATOM 3996 C CD2 . PHE A 1 523 . 22.576 52.001 66.37 1 3.83 ? CD2 PHE A 523 1 -ATOM 3997 C CE1 . PHE A 1 523 . 23.19 49.508 67.508 1 2 ? CE1 PHE A 523 1 -ATOM 3998 C CE2 . PHE A 1 523 . 21.724 51.438 67.331 1 7.44 ? CE2 PHE A 523 1 -ATOM 3999 C CZ . PHE A 1 523 . 22.026 50.187 67.892 1 6.72 ? CZ PHE A 523 1 -ATOM 4000 N N . TRP A 1 524 . 21.937 51.834 62.952 1 7.86 ? N TRP A 524 1 -ATOM 4001 C CA . TRP A 1 524 . 20.5 51.585 62.835 1 11.1 ? CA TRP A 524 1 -ATOM 4002 C C . TRP A 1 524 . 20.04 50.879 61.586 1 15.89 ? C TRP A 524 1 -ATOM 4003 O O . TRP A 1 524 . 19.126 50.063 61.596 1 17.8 ? O TRP A 524 1 -ATOM 4004 C CB . TRP A 1 524 . 19.715 52.895 62.845 1 12.61 ? CB TRP A 524 1 -ATOM 4005 C CG . TRP A 1 524 . 19.798 53.607 64.177 1 15.47 ? CG TRP A 524 1 -ATOM 4006 C CD1 . TRP A 1 524 . 20.569 54.758 64.435 1 15.71 ? CD1 TRP A 524 1 -ATOM 4007 C CD2 . TRP A 1 524 . 19.075 53.306 65.356 1 18.98 ? CD2 TRP A 524 1 -ATOM 4008 N NE1 . TRP A 1 524 . 20.342 55.184 65.697 1 20.24 ? NE1 TRP A 524 1 -ATOM 4009 C CE2 . TRP A 1 524 . 19.442 54.362 66.316 1 19.98 ? CE2 TRP A 524 1 -ATOM 4010 C CE3 . TRP A 1 524 . 18.15 52.319 65.742 1 19.46 ? CE3 TRP A 524 1 -ATOM 4011 C CZ2 . TRP A 1 524 . 18.834 54.384 67.573 1 19.02 ? CZ2 TRP A 524 1 -ATOM 4012 C CZ3 . TRP A 1 524 . 17.566 52.368 67.018 1 17.22 ? CZ3 TRP A 524 1 -ATOM 4013 C CH2 . TRP A 1 524 . 17.898 53.396 67.915 1 18.94 ? CH2 TRP A 524 1 -ATOM 4014 N N . ASN A 1 525 . 20.692 51.232 60.494 1 17.1 ? N ASN A 525 1 -ATOM 4015 C CA . ASN A 1 525 . 20.282 50.645 59.219 1 16.79 ? CA ASN A 525 1 -ATOM 4016 C C . ASN A 1 525 . 20.845 49.277 58.944 1 14.42 ? C ASN A 525 1 -ATOM 4017 O O . ASN A 1 525 . 20.261 48.52 58.189 1 16.93 ? O ASN A 525 1 -ATOM 4018 C CB . ASN A 1 525 . 20.606 51.587 58.051 1 17.2 ? CB ASN A 525 1 -ATOM 4019 C CG . ASN A 1 525 . 19.745 52.837 58.125 1 18.04 ? CG ASN A 525 1 -ATOM 4020 O OD1 . ASN A 1 525 . 18.776 52.946 58.867 1 21.34 ? OD1 ASN A 525 1 -ATOM 4021 N ND2 . ASN A 1 525 . 20.136 53.832 57.342 1 14.58 ? ND2 ASN A 525 1 -ATOM 4022 N N . GLN A 1 526 . 21.976 48.93 59.546 1 12.51 ? N GLN A 526 1 -ATOM 4023 C CA . GLN A 1 526 . 22.513 47.607 59.243 1 14.28 ? CA GLN A 526 1 -ATOM 4024 C C . GLN A 1 526 . 22.716 46.736 60.47 1 16.98 ? C GLN A 526 1 -ATOM 4025 O O . GLN A 1 526 . 22.32 45.578 60.494 1 19.08 ? O GLN A 526 1 -ATOM 4026 C CB . GLN A 1 526 . 23.829 47.745 58.438 1 13.48 ? CB GLN A 526 1 -ATOM 4027 C CG . GLN A 1 526 . 23.65 48.678 57.207 1 17.9 ? CG GLN A 526 1 -ATOM 4028 N N . PHE A 1 527 . 23.318 47.297 61.527 1 16.07 ? N PHE A 527 1 -ATOM 4029 C CA . PHE A 1 527 . 23.563 46.421 62.686 1 16.54 ? CA PHE A 527 1 -ATOM 4030 C C . PHE A 1 527 . 22.332 46.007 63.488 1 16.59 ? C PHE A 527 1 -ATOM 4031 O O . PHE A 1 527 . 22.007 44.828 63.604 1 13.61 ? O PHE A 527 1 -ATOM 4032 C CB . PHE A 1 527 . 24.655 47.012 63.596 1 14.68 ? CB PHE A 527 1 -ATOM 4033 C CG . PHE A 1 527 . 25.076 46.046 64.677 1 10.73 ? CG PHE A 527 1 -ATOM 4034 C CD1 . PHE A 1 527 . 25.852 44.917 64.363 1 11.88 ? CD1 PHE A 527 1 -ATOM 4035 C CD2 . PHE A 1 527 . 24.671 46.263 66.008 1 12.72 ? CD2 PHE A 527 1 -ATOM 4036 C CE1 . PHE A 1 527 . 26.214 44.004 65.365 1 13.01 ? CE1 PHE A 527 1 -ATOM 4037 C CE2 . PHE A 1 527 . 25.025 45.356 67.012 1 8.78 ? CE2 PHE A 527 1 -ATOM 4038 C CZ . PHE A 1 527 . 25.794 44.223 66.689 1 12.29 ? CZ PHE A 527 1 -ATOM 4039 N N . LEU A 1 528 . 21.662 47.022 64.063 1 16.71 ? N LEU A 528 1 -ATOM 4040 C CA . LEU A 1 528 . 20.475 46.833 64.892 1 14.7 ? CA LEU A 528 1 -ATOM 4041 C C . LEU A 1 528 . 19.553 45.799 64.305 1 18.13 ? C LEU A 528 1 -ATOM 4042 O O . LEU A 1 528 . 19.262 44.812 64.965 1 20.42 ? O LEU A 528 1 -ATOM 4043 C CB . LEU A 1 528 . 19.785 48.171 65.282 1 15.48 ? CB LEU A 528 1 -ATOM 4044 C CG . LEU A 1 528 . 18.899 48.182 66.562 1 17.15 ? CG LEU A 528 1 -ATOM 4045 C CD1 . LEU A 1 528 . 17.433 47.902 66.268 1 17.51 ? CD1 LEU A 528 1 -ATOM 4046 C CD2 . LEU A 1 528 . 19.384 47.234 67.68 1 22.24 ? CD2 LEU A 528 1 -ATOM 4047 N N . PRO A 1 529 . 19.117 45.982 63.041 1 21.47 ? N PRO A 529 1 -ATOM 4048 C CA . PRO A 1 529 . 18.174 45.038 62.469 1 19.45 ? CA PRO A 529 1 -ATOM 4049 C C . PRO A 1 529 . 18.692 43.611 62.49 1 19.92 ? C PRO A 529 1 -ATOM 4050 O O . PRO A 1 529 . 17.931 42.702 62.791 1 22.84 ? O PRO A 529 1 -ATOM 4051 C CB . PRO A 1 529 . 17.891 45.584 61.059 1 20.48 ? CB PRO A 529 1 -ATOM 4052 C CG . PRO A 1 529 . 18.428 47.033 61.03 1 22.9 ? CG PRO A 529 1 -ATOM 4053 C CD . PRO A 1 529 . 19.505 47.054 62.112 1 24.83 ? CD PRO A 529 1 -ATOM 4054 N N . LYS A 1 530 . 19.993 43.418 62.184 1 20.19 ? N LYS A 530 1 -ATOM 4055 C CA . LYS A 1 530 . 20.52 42.043 62.197 1 21.49 ? CA LYS A 530 1 -ATOM 4056 C C . LYS A 1 530 . 20.456 41.436 63.567 1 22.31 ? C LYS A 530 1 -ATOM 4057 O O . LYS A 1 530 . 20.13 40.275 63.761 1 21.11 ? O LYS A 530 1 -ATOM 4058 C CB . LYS A 1 530 . 22.023 41.919 61.863 1 24.91 ? CB LYS A 530 1 -ATOM 4059 C CG . LYS A 1 530 . 22.412 42.144 60.399 1 33.7 ? CG LYS A 530 1 -ATOM 4060 C CD . LYS A 1 530 . 23.846 41.645 60.116 1 35.91 ? CD LYS A 530 1 -ATOM 4061 C CE . LYS A 1 530 . 23.982 40.107 60.198 1 38.83 ? CE LYS A 530 1 -ATOM 4062 N NZ . LYS A 1 530 . 25.241 39.667 59.617 1 41.88 ? NZ LYS A 530 1 -ATOM 4063 N N . LEU A 1 531 . 20.847 42.28 64.517 1 22.3 ? N LEU A 531 1 -ATOM 4064 C CA . LEU A 1 531 . 20.876 41.865 65.898 1 18.46 ? CA LEU A 531 1 -ATOM 4065 C C . LEU A 1 531 . 19.522 41.358 66.294 1 17.79 ? C LEU A 531 1 -ATOM 4066 O O . LEU A 1 531 . 19.353 40.208 66.678 1 16.65 ? O LEU A 531 1 -ATOM 4067 C CB . LEU A 1 531 . 21.411 43.01 66.772 1 17.72 ? CB LEU A 531 1 -ATOM 4068 C CG . LEU A 1 531 . 21.552 42.671 68.27 1 15.86 ? CG LEU A 531 1 -ATOM 4069 C CD1 . LEU A 1 531 . 22.744 43.392 68.889 1 16.38 ? CD1 LEU A 531 1 -ATOM 4070 C CD2 . LEU A 1 531 . 20.288 43.038 69.055 1 16.82 ? CD2 LEU A 531 1 -ATOM 4071 N N . LEU A 1 532 . 18.546 42.244 66.105 1 15.97 ? N LEU A 532 1 -ATOM 4072 C CA . LEU A 1 532 . 17.185 41.887 66.469 1 20.58 ? CA LEU A 532 1 -ATOM 4073 C C . LEU A 1 532 . 16.678 40.657 65.76 1 24 ? C LEU A 532 1 -ATOM 4074 O O . LEU A 1 532 . 15.829 39.963 66.296 1 29.22 ? O LEU A 532 1 -ATOM 4075 C CB . LEU A 1 532 . 16.181 43.042 66.267 1 15.9 ? CB LEU A 532 1 -ATOM 4076 C CG . LEU A 1 532 . 16.396 44.267 67.183 1 18.48 ? CG LEU A 532 1 -ATOM 4077 C CD1 . LEU A 1 532 . 15.331 45.338 66.923 1 16.5 ? CD1 LEU A 532 1 -ATOM 4078 C CD2 . LEU A 1 532 . 16.394 43.907 68.686 1 17.77 ? CD2 LEU A 532 1 -ATOM 4079 N N . ASN A 1 533 . 17.185 40.405 64.549 1 27.83 ? N ASN A 533 1 -ATOM 4080 C CA . ASN A 1 533 . 16.745 39.236 63.789 1 28.48 ? CA ASN A 533 1 -ATOM 4081 C C . ASN A 1 533 . 17.405 37.945 64.224 1 30.57 ? C ASN A 533 1 -ATOM 4082 O O . ASN A 1 533 . 16.837 36.864 64.159 1 29.7 ? O ASN A 533 1 -ATOM 4083 C CB . ASN A 1 533 . 17.09 39.419 62.312 1 26.73 ? CB ASN A 533 1 -ATOM 4084 N N . ALA A 1 534 . 18.662 38.069 64.651 1 32.89 ? N ALA A 534 1 -ATOM 4085 C CA . ALA A 1 534 . 19.349 36.857 65.054 1 36.26 ? CA ALA A 534 1 -ATOM 4086 C C . ALA A 1 534 . 18.814 36.337 66.354 1 42.3 ? C ALA A 534 1 -ATOM 4087 O O . ALA A 1 534 . 18.765 35.133 66.595 1 44.56 ? O ALA A 534 1 -ATOM 4088 C CB . ALA A 1 534 . 20.852 37.072 65.222 1 32.57 ? CB ALA A 534 1 -ATOM 4089 N N . THR A 1 535 . 18.484 37.298 67.215 1 47.29 ? N THR A 535 1 -ATOM 4090 C CA . THR A 1 535 . 17.953 36.96 68.511 1 51.46 ? CA THR A 535 1 -ATOM 4091 C C . THR A 1 535 . 16.502 36.487 68.376 1 53.1 ? C THR A 535 1 -ATOM 4092 O O . THR A 1 535 . 15.627 37.055 69.04 1 57.37 ? O THR A 535 1 -ATOM 4093 C CB . THR A 1 535 . 18.06 38.196 69.422 1 53.08 ? CB THR A 535 1 -ATOM 4094 O OG1 . THR A 1 535 . 19.279 38.91 69.244 1 52.38 ? OG1 THR A 535 1 -ATOM 4095 C CG2 . THR A 1 535 . 18.026 37.829 70.916 1 59.93 ? CG2 THR A 535 1 -HETATM 4096 C C1 . THA B 2 . . 6.362 71.261 69.025 1 22.38 ? C1 THA A 999 1 -HETATM 4097 C C2 . THA B 2 . . 6.697 70.955 67.712 1 25.41 ? C2 THA A 999 1 -HETATM 4098 C C3 . THA B 2 . . 5.719 70.518 66.819 1 24.66 ? C3 THA A 999 1 -HETATM 4099 C C4 . THA B 2 . . 4.351 70.381 67.26 1 21.7 ? C4 THA A 999 1 -HETATM 4100 C C5 . THA B 2 . . 4.056 70.702 68.603 1 20.76 ? C5 THA A 999 1 -HETATM 4101 C C6 . THA B 2 . . 5.053 71.136 69.468 1 18.93 ? C6 THA A 999 1 -HETATM 4102 N N7 . THA B 2 . . 6.068 70.236 65.585 1 21.62 ? N7 THA A 999 1 -HETATM 4103 C C8 . THA B 2 . . 5.207 69.821 64.683 1 20.49 ? C8 THA A 999 1 -HETATM 4104 C C9 . THA B 2 . . 3.833 69.634 64.995 1 19.83 ? C9 THA A 999 1 -HETATM 4105 C C10 . THA B 2 . . 3.396 69.933 66.309 1 17.75 ? C10 THA A 999 1 -HETATM 4106 C C11 . THA B 2 . . 5.776 69.459 63.289 1 18.3 ? C11 THA A 999 1 -HETATM 4107 C C12 . THA B 2 . . 4.736 69.363 62.145 1 20.27 ? C12 THA A 999 1 -HETATM 4108 C C13 . THA B 2 . . 3.515 68.54 62.597 1 19.36 ? C13 THA A 999 1 -HETATM 4109 C C14 . THA B 2 . . 2.86 69.177 63.848 1 21.42 ? C14 THA A 999 1 -HETATM 4110 N N15 . THA B 2 . . 2.092 69.798 66.625 1 20.69 ? N15 THA A 999 1 -HETATM 4111 O O . HOH C 3 . . 21.436 52.967 54.67 1 16.26 ? O HOH A 601 1 -HETATM 4112 O O . HOH C 3 . . -9.713 62.939 60.08 1 9.25 ? O HOH A 602 1 -HETATM 4113 O O . HOH C 3 . . 24.198 67.851 85.549 1 70.2 ? O HOH A 603 1 -HETATM 4114 O O . HOH C 3 . . 3.897 69.768 58.109 1 2 ? O HOH A 604 1 -HETATM 4115 O O . HOH C 3 . . -1.728 70.694 53.271 1 6.67 ? O HOH A 605 1 -HETATM 4116 O O . HOH C 3 . . -14.301 59.527 57.034 1 6.46 ? O HOH A 606 1 -HETATM 4117 O O . HOH C 3 . . -2.078 69.35 67.406 1 12.08 ? O HOH A 607 1 -HETATM 4118 O O . HOH C 3 . . -6.865 62.657 65.578 1 12.95 ? O HOH A 608 1 -HETATM 4119 O O . HOH C 3 . . 0.027 70.297 60.632 1 6.46 ? O HOH A 609 1 -HETATM 4120 O O . HOH C 3 . . -3.893 52.228 41.33 1 39.68 ? O HOH A 610 1 -HETATM 4121 O O . HOH C 3 . . 7.233 80.005 68.092 1 36.26 ? O HOH A 611 1 -HETATM 4122 O O . HOH C 3 . . 24.646 60.791 40.027 1 18.08 ? O HOH A 612 1 -HETATM 4123 O O . HOH C 3 . . 21.313 59.198 38.314 1 36.84 ? O HOH A 613 1 -HETATM 4124 O O . HOH C 3 . . -0.421 64.062 59.32 1 12.5 ? O HOH A 614 1 -HETATM 4125 O O . HOH C 3 . . 0.001 83.914 58.002 1 43.23 ? O HOH A 615 1 -HETATM 4126 O O . HOH C 3 . . -0.46 66.877 69.033 1 36.24 ? O HOH A 616 1 -HETATM 4127 O O . HOH C 3 . . 2.101 41.668 61.98 1 40.25 ? O HOH A 617 1 -HETATM 4128 O O . HOH C 3 . . 10.934 56.303 68.662 1 12.08 ? O HOH A 618 1 -HETATM 4129 O O . HOH C 3 . . 2.682 81.87 62.939 1 32.61 ? O HOH A 619 1 -HETATM 4130 O O . HOH C 3 . . 3.3 53.939 63.596 1 18.53 ? O HOH A 620 1 -HETATM 4131 O O . HOH C 3 . . 10.421 48.537 38.102 1 64.57 ? O HOH A 621 1 -HETATM 4132 O O . HOH C 3 . . 18.266 72.459 85.879 1 58.97 ? O HOH A 622 1 -HETATM 4133 O O . HOH C 3 . . -1.187 96.318 44.308 1 54.71 ? O HOH A 623 1 -HETATM 4134 O O . HOH C 3 . . 10.416 69.328 59.826 1 5.83 ? O HOH A 624 1 -HETATM 4135 O O . HOH C 3 . . -12.114 68.571 37.502 1 32.99 ? O HOH A 625 1 -HETATM 4136 O O . HOH C 3 . . -6.304 61.451 71.954 1 42.24 ? O HOH A 626 1 -HETATM 4137 O O . HOH C 3 . . -6.447 50.296 61.416 1 10.24 ? O HOH A 627 1 -HETATM 4138 O O . HOH C 3 . . 2.152 63.062 72.71 1 61.59 ? O HOH A 628 1 -HETATM 4139 O O . HOH C 3 . . 31.963 66.709 56.534 1 16.65 ? O HOH A 629 1 -HETATM 4140 O O . HOH C 3 . . 9.379 58.011 85.633 1 44.47 ? O HOH A 630 1 -HETATM 4141 O O . HOH C 3 . . -7.92 58.968 44.298 1 42.11 ? O HOH A 631 1 -HETATM 4142 O O . HOH C 3 . . 9.288 57.159 35.791 1 36.44 ? O HOH A 632 1 -HETATM 4143 O O . HOH C 3 . . -3.902 51.644 60.543 1 9.44 ? O HOH A 633 1 -HETATM 4144 O O . HOH C 3 . . -0.179 69.329 64.529 1 24.06 ? O HOH A 634 1 -HETATM 4145 O O . HOH C 3 . . 12.302 66.886 33.785 1 33.25 ? O HOH A 635 1 -HETATM 4146 O O . HOH C 3 . . -0.829 58.797 69.112 1 22.6 ? O HOH A 636 1 -HETATM 4147 O O . HOH C 3 . . 5.229 58.019 35.824 1 20.86 ? O HOH A 637 1 -HETATM 4148 O O . HOH C 3 . . 6.341 81.499 64.81 1 23.9 ? O HOH A 638 1 -HETATM 4149 O O . HOH C 3 . . -12.258 64.448 59.54 1 42.34 ? O HOH A 639 1 -HETATM 4150 O O . HOH C 3 . . 7.609 52.533 56.827 1 30.17 ? O HOH A 640 1 -HETATM 4151 O O . HOH C 3 . . 24.358 57.909 56.015 1 36.95 ? O HOH A 641 1 -HETATM 4152 O O . HOH C 3 . . 5.862 63.777 80.088 1 61.65 ? O HOH A 642 1 -HETATM 4153 O O . HOH C 3 . . 0.529 71.248 68.951 1 20.34 ? O HOH A 643 1 -HETATM 4154 O O . HOH C 3 . . 11.37 63.907 35.699 1 19.83 ? O HOH A 644 1 -HETATM 4155 O O . HOH C 3 . . 2.328 91.164 54.939 1 13.04 ? O HOH A 645 1 -HETATM 4156 O O . HOH C 3 . . -15.401 67.703 52.231 1 24.77 ? O HOH A 646 1 -HETATM 4157 O O . HOH C 3 . . -2.176 79.106 62.623 1 32.03 ? O HOH A 647 1 -HETATM 4158 O O . HOH C 3 . . 25.329 55.453 53.425 1 40.01 ? O HOH A 648 1 -HETATM 4159 O O . HOH C 3 . . 25.021 64.798 35.997 1 30.72 ? O HOH A 649 1 -HETATM 4160 O O . HOH C 3 . . 13.669 47.295 59.66 1 45.32 ? O HOH A 650 1 -HETATM 4161 O O . HOH C 3 . . -13.244 50.312 44.199 1 54.67 ? O HOH A 651 1 -HETATM 4162 O O . HOH C 3 . . 3.242 83.352 32.284 1 34.21 ? O HOH A 652 1 -HETATM 4163 O O . HOH C 3 . . -5.381 58.887 37.832 1 40.03 ? O HOH A 653 1 -HETATM 4164 O O . HOH C 3 . . 12.644 49.806 33.065 1 51.32 ? O HOH A 654 1 -HETATM 4165 O O . HOH C 3 . . 7.81 76.268 61.395 1 50.53 ? O HOH A 655 1 -HETATM 4166 O O . HOH C 3 . . -0.969 59.532 33.421 1 25.89 ? O HOH A 656 1 -HETATM 4167 O O . HOH C 3 . . -14.849 67.281 39.525 1 42.11 ? O HOH A 657 1 -HETATM 4168 O O . HOH C 3 . . -18.694 86.088 50.675 1 47.8 ? O HOH A 658 1 -HETATM 4169 O O . HOH C 3 . . -15.52 83.163 31.58 1 47.06 ? O HOH A 659 1 -HETATM 4170 O O . HOH C 3 . . 21.328 50.999 53.078 1 17.17 ? O HOH A 660 1 -HETATM 4171 O O . HOH C 3 . . 18.419 92.769 62.731 1 36.34 ? O HOH A 661 1 -HETATM 4172 O O . HOH C 3 . . 29.951 58.597 85.155 1 72.74 ? O HOH A 662 1 -HETATM 4173 O O . HOH C 3 . . 20.915 62.497 36.857 1 27.46 ? O HOH A 663 1 -HETATM 4174 O O . HOH C 3 . . 23.889 59.314 35.821 1 40.76 ? O HOH A 664 1 -HETATM 4175 O O . HOH C 3 . . -0.387 90.815 55.611 1 41.4 ? O HOH A 665 1 -HETATM 4176 O O . HOH C 3 . . 4.85 58.304 76.42 1 53.69 ? O HOH A 666 1 -HETATM 4177 O O . HOH C 3 . . 19.66 62.741 32.748 1 83.14 ? O HOH A 667 1 -HETATM 4178 O O . HOH C 3 . . -19.347 84.392 54.165 1 37.79 ? O HOH A 668 1 -HETATM 4179 O O . HOH C 3 . . 11.705 50.605 81.909 1 43.68 ? O HOH A 669 1 -HETATM 4180 O O . HOH C 3 . . 13.043 77.224 85.64 1 50.32 ? O HOH A 670 1 -HETATM 4181 O O . HOH C 3 . . 32.987 69.879 57.554 1 28.33 ? O HOH A 671 1 -HETATM 4182 O O . HOH C 3 . . 22.971 53.558 52.37 1 84.49 ? O HOH A 672 1 -HETATM 4183 O O . HOH C 3 . . 15.23 62.617 89.723 1 55.09 ? O HOH A 673 1 -HETATM 4184 O O . HOH C 3 . . 8.378 94.303 47.727 1 56.64 ? O HOH A 674 1 -HETATM 4185 O O . HOH C 3 . . -21.202 67.831 58.722 1 68.4 ? O HOH A 675 1 -HETATM 4186 O O . HOH C 3 . . -11.439 84.351 57.579 1 46.3 ? O HOH A 676 1 -HETATM 4187 O O . HOH C 3 . . 16.299 59.93 32.317 1 40.67 ? O HOH A 677 1 -HETATM 4188 O O . HOH C 3 . . 3.879 46.681 60.148 1 67.54 ? O HOH A 678 1 -HETATM 4189 O O . HOH C 3 . . 17.253 64.097 87.165 1 52.19 ? O HOH A 679 1 -HETATM 4190 O O . HOH C 3 . . 19.551 31.826 68.006 1 39.5 ? O HOH A 680 1 -HETATM 4191 O O . HOH C 3 . . 23.095 67.354 48.33 1 12.96 ? O HOH A 681 1 -HETATM 4192 O O . HOH C 3 . . -13.326 47.816 47.354 1 46.29 ? O HOH A 682 1 +ATOM 1 N N SER 4 . . A 1 -12.503 89.084 35.13 1 66.28 ? N SER 4 A 1 +ATOM 2 C CA SER 4 . . A 1 -12.189 87.877 35.866 1 63.52 ? CA SER 4 A 1 +ATOM 3 C C SER 4 . . A 1 -11.066 88.196 36.842 1 59.52 ? C SER 4 A 1 +ATOM 4 O O SER 4 . . A 1 -11.26 89.101 37.633 1 57.7 ? O SER 4 A 1 +ATOM 5 C CB SER 4 . . A 1 -12.025 86.72 34.856 1 67.07 ? CB SER 4 A 1 +ATOM 6 O OG SER 4 . . A 1 -13.195 86.792 34.018 1 70.02 ? OG SER 4 A 1 +ATOM 7 N N GLU 5 . . A 1 -9.92 87.515 36.768 1 54.99 ? N GLU 5 A 1 +ATOM 8 C CA GLU 5 . . A 1 -8.763 87.673 37.662 1 47.42 ? CA GLU 5 A 1 +ATOM 9 C C GLU 5 . . A 1 -9.082 86.841 38.872 1 43.05 ? C GLU 5 A 1 +ATOM 10 O O GLU 5 . . A 1 -8.332 85.956 39.236 1 44.4 ? O GLU 5 A 1 +ATOM 11 C CB GLU 5 . . A 1 -8.315 89.106 38.012 1 47.14 ? CB GLU 5 A 1 +ATOM 12 C CG GLU 5 . . A 1 -7.047 89.19 38.917 1 51.13 ? CG GLU 5 A 1 +ATOM 13 C CD GLU 5 . . A 1 -5.714 88.67 38.353 1 52.76 ? CD GLU 5 A 1 +ATOM 14 O OE1 GLU 5 . . A 1 -5.502 88.765 37.15 1 54.93 ? OE1 GLU 5 A 1 +ATOM 15 O OE2 GLU 5 . . A 1 -4.88 88.179 39.122 1 56.48 ? OE2 GLU 5 A 1 +ATOM 16 N N LEU 6 . . A 1 -10.253 87.138 39.444 1 36.79 ? N LEU 6 A 1 +ATOM 17 C CA LEU 6 . . A 1 -10.748 86.426 40.612 1 32.75 ? CA LEU 6 A 1 +ATOM 18 C C LEU 6 . . A 1 -11.84 85.431 40.295 1 33.35 ? C LEU 6 A 1 +ATOM 19 O O LEU 6 . . A 1 -12.296 84.7 41.162 1 35.53 ? O LEU 6 A 1 +ATOM 20 C CB LEU 6 . . A 1 -11.321 87.429 41.633 1 28.61 ? CB LEU 6 A 1 +ATOM 21 C CG LEU 6 . . A 1 -10.276 87.885 42.667 1 29.95 ? CG LEU 6 A 1 +ATOM 22 C CD1 LEU 6 . . A 1 -9.06 88.579 42.04 1 28.52 ? CD1 LEU 6 A 1 +ATOM 23 C CD2 LEU 6 . . A 1 -10.937 88.762 43.732 1 28.46 ? CD2 LEU 6 A 1 +ATOM 24 N N LEU 7 . . A 1 -12.302 85.444 39.053 1 33.35 ? N LEU 7 A 1 +ATOM 25 C CA LEU 7 . . A 1 -13.363 84.515 38.679 1 33.07 ? CA LEU 7 A 1 +ATOM 26 C C LEU 7 . . A 1 -12.689 83.488 37.822 1 32.11 ? C LEU 7 A 1 +ATOM 27 O O LEU 7 . . A 1 -12.018 83.906 36.874 1 36.48 ? O LEU 7 A 1 +ATOM 28 C CB LEU 7 . . A 1 -14.409 85.233 37.811 1 33.65 ? CB LEU 7 A 1 +ATOM 29 C CG LEU 7 . . A 1 -15.741 84.489 37.662 1 33.73 ? CG LEU 7 A 1 +ATOM 30 C CD1 LEU 7 . . A 1 -15.669 83.103 37.017 1 34.68 ? CD1 LEU 7 A 1 +ATOM 31 C CD2 LEU 7 . . A 1 -16.471 84.394 38.993 1 34.9 ? CD2 LEU 7 A 1 +ATOM 32 N N VAL 8 . . A 1 -12.856 82.204 38.136 1 24.81 ? N VAL 8 A 1 +ATOM 33 C CA VAL 8 . . A 1 -12.232 81.181 37.334 1 21.36 ? CA VAL 8 A 1 +ATOM 34 C C VAL 8 . . A 1 -13.261 80.103 37.069 1 25.4 ? C VAL 8 A 1 +ATOM 35 O O VAL 8 . . A 1 -14.082 79.793 37.921 1 27.94 ? O VAL 8 A 1 +ATOM 36 C CB VAL 8 . . A 1 -11.015 80.653 38.107 1 15.33 ? CB VAL 8 A 1 +ATOM 37 C CG1 VAL 8 . . A 1 -10.339 79.451 37.43 1 17.12 ? CG1 VAL 8 A 1 +ATOM 38 C CG2 VAL 8 . . A 1 -9.983 81.78 38.306 1 14.32 ? CG2 VAL 8 A 1 +ATOM 39 N N ASN 9 . . A 1 -13.228 79.552 35.849 1 29.47 ? N ASN 9 A 1 +ATOM 40 C CA ASN 9 . . A 1 -14.133 78.459 35.493 1 33.22 ? CA ASN 9 A 1 +ATOM 41 C C ASN 9 . . A 1 -13.227 77.276 35.611 1 34.13 ? C ASN 9 A 1 +ATOM 42 O O ASN 9 . . A 1 -12.125 77.308 35.074 1 35.41 ? O ASN 9 A 1 +ATOM 43 C CB ASN 9 . . A 1 -14.555 78.386 34.013 1 38.11 ? CB ASN 9 A 1 +ATOM 44 C CG ASN 9 . . A 1 -15.552 79.424 33.597 1 42.62 ? CG ASN 9 A 1 +ATOM 45 O OD1 ASN 9 . . A 1 -16.72 79.332 33.924 1 48.35 ? OD1 ASN 9 A 1 +ATOM 46 N ND2 ASN 9 . . A 1 -15.081 80.421 32.85 1 41.34 ? ND2 ASN 9 A 1 +ATOM 47 N N THR 10 . . A 1 -13.656 76.26 36.32 1 33.2 ? N THR 10 A 1 +ATOM 48 C CA THR 10 . . A 1 -12.829 75.086 36.438 1 30.23 ? CA THR 10 A 1 +ATOM 49 C C THR 10 . . A 1 -13.712 74.031 35.844 1 31.69 ? C THR 10 A 1 +ATOM 50 O O THR 10 . . A 1 -14.915 74.252 35.715 1 35.98 ? O THR 10 A 1 +ATOM 51 C CB THR 10 . . A 1 -12.478 74.82 37.913 1 27.41 ? CB THR 10 A 1 +ATOM 52 O OG1 THR 10 . . A 1 -13.619 74.419 38.674 1 24.65 ? OG1 THR 10 A 1 +ATOM 53 C CG2 THR 10 . . A 1 -11.894 76.058 38.615 1 27.48 ? CG2 THR 10 A 1 +ATOM 54 N N LYS 11 . . A 1 -13.156 72.866 35.542 1 27.84 ? N LYS 11 A 1 +ATOM 55 C CA LYS 11 . . A 1 -14.023 71.85 34.98 1 24.67 ? CA LYS 11 A 1 +ATOM 56 C C LYS 11 . . A 1 -15.154 71.44 35.929 1 24.68 ? C LYS 11 A 1 +ATOM 57 O O LYS 11 . . A 1 -16.072 70.775 35.486 1 27.54 ? O LYS 11 A 1 +ATOM 58 C CB LYS 11 . . A 1 -13.208 70.653 34.493 1 17.2 ? CB LYS 11 A 1 +ATOM 59 C CG LYS 11 . . A 1 -12.087 71.099 33.547 1 14.65 ? CG LYS 11 A 1 +ATOM 60 C CD LYS 11 . . A 1 -11.25 69.939 33.014 1 16.35 ? CD LYS 11 A 1 +ATOM 61 C CE LYS 11 . . A 1 -9.911 70.312 32.358 1 19.73 ? CE LYS 11 A 1 +ATOM 62 N NZ LYS 11 . . A 1 -9.107 69.103 32.179 1 22.74 ? NZ LYS 11 A 1 +ATOM 63 N N SER 12 . . A 1 -15.078 71.792 37.231 1 27.83 ? N SER 12 A 1 +ATOM 64 C CA SER 12 . . A 1 -16.163 71.425 38.154 1 28.06 ? CA SER 12 A 1 +ATOM 65 C C SER 12 . . A 1 -17.186 72.558 38.349 1 29.85 ? C SER 12 A 1 +ATOM 66 O O SER 12 . . A 1 -18.303 72.296 38.787 1 26.76 ? O SER 12 A 1 +ATOM 67 C CB SER 12 . . A 1 -15.645 71.067 39.569 1 28.31 ? CB SER 12 A 1 +ATOM 68 O OG SER 12 . . A 1 -14.456 70.262 39.614 1 28.89 ? OG SER 12 A 1 +ATOM 69 N N GLY 13 . . A 1 -16.789 73.809 38.067 1 27.92 ? N GLY 13 A 1 +ATOM 70 C CA GLY 13 . . A 1 -17.743 74.889 38.268 1 30.42 ? CA GLY 13 A 1 +ATOM 71 C C GLY 13 . . A 1 -16.97 76.173 38.361 1 32.86 ? C GLY 13 A 1 +ATOM 72 O O GLY 13 . . A 1 -15.75 76.147 38.199 1 31.43 ? O GLY 13 A 1 +ATOM 73 N N LYS 14 . . A 1 -17.661 77.3 38.603 1 34.06 ? N LYS 14 A 1 +ATOM 74 C CA LYS 14 . . A 1 -16.946 78.577 38.695 1 35.67 ? CA LYS 14 A 1 +ATOM 75 C C LYS 14 . . A 1 -16.546 78.847 40.127 1 34.96 ? C LYS 14 A 1 +ATOM 76 O O LYS 14 . . A 1 -17.215 78.37 41.034 1 34.65 ? O LYS 14 A 1 +ATOM 77 C CB LYS 14 . . A 1 -17.839 79.721 38.192 1 38.99 ? CB LYS 14 A 1 +ATOM 78 C CG LYS 14 . . A 1 -17.873 79.759 36.661 1 47.77 ? CG LYS 14 A 1 +ATOM 79 C CD LYS 14 . . A 1 -18.766 80.858 36.07 1 55.48 ? CD LYS 14 A 1 +ATOM 80 C CE LYS 14 . . A 1 -20.267 80.65 36.336 1 64.81 ? CE LYS 14 A 1 +ATOM 81 N NZ LYS 14 . . A 1 -20.749 79.427 35.705 1 71 ? NZ LYS 14 A 1 +ATOM 82 N N VAL 15 . . A 1 -15.479 79.629 40.328 1 34.04 ? N VAL 15 A 1 +ATOM 83 C CA VAL 15 . . A 1 -15.026 79.952 41.667 1 32.93 ? CA VAL 15 A 1 +ATOM 84 C C VAL 15 . . A 1 -14.591 81.417 41.683 1 34.62 ? C VAL 15 A 1 +ATOM 85 O O VAL 15 . . A 1 -13.953 81.902 40.751 1 29.89 ? O VAL 15 A 1 +ATOM 86 C CB VAL 15 . . A 1 -13.875 79.002 42.098 1 29.03 ? CB VAL 15 A 1 +ATOM 87 C CG1 VAL 15 . . A 1 -14.269 77.516 42.075 1 29.98 ? CG1 VAL 15 A 1 +ATOM 88 C CG2 VAL 15 . . A 1 -12.622 79.141 41.229 1 31.49 ? CG2 VAL 15 A 1 +ATOM 89 N N MET 16 . . A 1 -14.981 82.082 42.777 1 37.7 ? N MET 16 A 1 +ATOM 90 C CA MET 16 . . A 1 -14.696 83.486 43.083 1 39.31 ? CA MET 16 A 1 +ATOM 91 C C MET 16 . . A 1 -13.672 83.472 44.208 1 37.45 ? C MET 16 A 1 +ATOM 92 O O MET 16 . . A 1 -13.922 82.839 45.227 1 37.64 ? O MET 16 A 1 +ATOM 93 C CB MET 16 . . A 1 -15.964 84.164 43.671 1 43.76 ? CB MET 16 A 1 +ATOM 94 C CG MET 16 . . A 1 -16.786 84.967 42.656 1 51.8 ? CG MET 16 A 1 +ATOM 95 S SD MET 16 . . A 1 -15.852 86.472 42.182 1 59.52 ? SD MET 16 A 1 +ATOM 96 C CE MET 16 . . A 1 -16.117 87.473 43.685 1 62.28 ? CE MET 16 A 1 +ATOM 97 N N GLY 17 . . A 1 -12.555 84.166 44.044 1 35.12 ? N GLY 17 A 1 +ATOM 98 C CA GLY 17 . . A 1 -11.542 84.181 45.098 1 31.94 ? CA GLY 17 A 1 +ATOM 99 C C GLY 17 . . A 1 -11.538 85.515 45.789 1 29.25 ? C GLY 17 A 1 +ATOM 100 O O GLY 17 . . A 1 -12.538 86.225 45.821 1 29.77 ? O GLY 17 A 1 +ATOM 101 N N THR 18 . . A 1 -10.387 85.877 46.335 1 29.14 ? N THR 18 A 1 +ATOM 102 C CA THR 18 . . A 1 -10.24 87.143 47.021 1 32.39 ? CA THR 18 A 1 +ATOM 103 C C THR 18 . . A 1 -8.877 87.671 46.695 1 29.82 ? C THR 18 A 1 +ATOM 104 O O THR 18 . . A 1 -7.952 86.944 46.354 1 29.28 ? O THR 18 A 1 +ATOM 105 C CB THR 18 . . A 1 -10.27 86.929 48.552 1 38.14 ? CB THR 18 A 1 +ATOM 106 O OG1 THR 18 . . A 1 -11.384 86.119 48.917 1 42.11 ? OG1 THR 18 A 1 +ATOM 107 C CG2 THR 18 . . A 1 -10.355 88.216 49.399 1 41.82 ? CG2 THR 18 A 1 +ATOM 108 N N ARG 19 . . A 1 -8.772 88.981 46.807 1 28.01 ? N ARG 19 A 1 +ATOM 109 C CA ARG 19 . . A 1 -7.503 89.605 46.57 1 29.07 ? CA ARG 19 A 1 +ATOM 110 C C ARG 19 . . A 1 -6.948 89.704 47.989 1 30.93 ? C ARG 19 A 1 +ATOM 111 O O ARG 19 . . A 1 -7.634 90.258 48.842 1 35.56 ? O ARG 19 A 1 +ATOM 112 C CB ARG 19 . . A 1 -7.758 90.976 45.92 1 28.93 ? CB ARG 19 A 1 +ATOM 113 C CG ARG 19 . . A 1 -6.503 91.613 45.339 1 32.23 ? CG ARG 19 A 1 +ATOM 114 C CD ARG 19 . . A 1 -6.762 93.028 44.816 1 35.26 ? CD ARG 19 A 1 +ATOM 115 N N VAL 20 . . A 1 -5.76 89.164 48.263 1 30.18 ? N VAL 20 A 1 +ATOM 116 C CA VAL 20 . . A 1 -5.21 89.235 49.617 1 26.81 ? CA VAL 20 A 1 +ATOM 117 C C VAL 20 . . A 1 -3.984 90.126 49.576 1 28.42 ? C VAL 20 A 1 +ATOM 118 O O VAL 20 . . A 1 -3.243 90.053 48.604 1 28.65 ? O VAL 20 A 1 +ATOM 119 C CB VAL 20 . . A 1 -4.849 87.825 50.132 1 25.26 ? CB VAL 20 A 1 +ATOM 120 C CG1 VAL 20 . . A 1 -6.086 86.908 50.086 1 20.35 ? CG1 VAL 20 A 1 +ATOM 121 C CG2 VAL 20 . . A 1 -3.672 87.168 49.377 1 25.28 ? CG2 VAL 20 A 1 +ATOM 122 N N PRO 21 . . A 1 -3.764 90.961 50.603 1 29.36 ? N PRO 21 A 1 +ATOM 123 C CA PRO 21 . . A 1 -2.543 91.749 50.665 1 28.64 ? CA PRO 21 A 1 +ATOM 124 C C PRO 21 . . A 1 -1.347 90.886 50.931 1 28.38 ? C PRO 21 A 1 +ATOM 125 O O PRO 21 . . A 1 -1.405 89.986 51.758 1 29.32 ? O PRO 21 A 1 +ATOM 126 C CB PRO 21 . . A 1 -2.741 92.681 51.869 1 30.26 ? CB PRO 21 A 1 +ATOM 127 C CG PRO 21 . . A 1 -4.219 92.582 52.263 1 31.39 ? CG PRO 21 A 1 +ATOM 128 C CD PRO 21 . . A 1 -4.74 91.285 51.635 1 31.49 ? CD PRO 21 A 1 +ATOM 129 N N VAL 22 . . A 1 -0.249 91.183 50.261 1 29.82 ? N VAL 22 A 1 +ATOM 130 C CA VAL 22 . . A 1 0.96 90.419 50.471 1 31.13 ? CA VAL 22 A 1 +ATOM 131 C C VAL 22 . . A 1 2.012 91.46 50.498 1 34 ? C VAL 22 A 1 +ATOM 132 O O VAL 22 . . A 1 2.306 92.09 49.498 1 36.68 ? O VAL 22 A 1 +ATOM 133 C CB VAL 22 . . A 1 1.232 89.459 49.316 1 28.17 ? CB VAL 22 A 1 +ATOM 134 C CG1 VAL 22 . . A 1 2.433 88.577 49.605 1 27.98 ? CG1 VAL 22 A 1 +ATOM 135 C CG2 VAL 22 . . A 1 0.011 88.599 49.042 1 33 ? CG2 VAL 22 A 1 +ATOM 136 N N LEU 23 . . A 1 2.605 91.635 51.659 1 35.38 ? N LEU 23 A 1 +ATOM 137 C CA LEU 23 . . A 1 3.623 92.66 51.758 1 37.84 ? CA LEU 23 A 1 +ATOM 138 C C LEU 23 . . A 1 3.003 93.998 51.372 1 43.58 ? C LEU 23 A 1 +ATOM 139 O O LEU 23 . . A 1 2.056 94.464 51.991 1 47.15 ? O LEU 23 A 1 +ATOM 140 C CB LEU 23 . . A 1 4.926 92.342 51.009 1 34.91 ? CB LEU 23 A 1 +ATOM 141 C CG LEU 23 . . A 1 5.762 91.224 51.648 1 37.14 ? CG LEU 23 A 1 +ATOM 142 C CD1 LEU 23 . . A 1 5.306 89.823 51.252 1 37.74 ? CD1 LEU 23 A 1 +ATOM 143 C CD2 LEU 23 . . A 1 7.228 91.372 51.229 1 43.47 ? CD2 LEU 23 A 1 +ATOM 144 N N SER 24 . . A 1 3.546 94.547 50.304 1 45.59 ? N SER 24 A 1 +ATOM 145 C CA SER 24 . . A 1 3.151 95.833 49.783 1 47.78 ? CA SER 24 A 1 +ATOM 146 C C SER 24 . . A 1 2.17 95.764 48.633 1 46.42 ? C SER 24 A 1 +ATOM 147 O O SER 24 . . A 1 1.802 96.789 48.07 1 49.47 ? O SER 24 A 1 +ATOM 148 C CB SER 24 . . A 1 4.454 96.47 49.252 1 53.04 ? CB SER 24 A 1 +ATOM 149 O OG SER 24 . . A 1 5.276 95.514 48.535 1 56.67 ? OG SER 24 A 1 +ATOM 150 N N SER 25 . . A 1 1.764 94.551 48.285 1 43.6 ? N SER 25 A 1 +ATOM 151 C CA SER 25 . . A 1 0.9 94.351 47.149 1 41.55 ? CA SER 25 A 1 +ATOM 152 C C SER 25 . . A 1 -0.283 93.474 47.48 1 39.27 ? C SER 25 A 1 +ATOM 153 O O SER 25 . . A 1 -0.777 93.456 48.602 1 42.44 ? O SER 25 A 1 +ATOM 154 C CB SER 25 . . A 1 1.78 93.725 46.06 1 43.12 ? CB SER 25 A 1 +ATOM 155 O OG SER 25 . . A 1 3.058 94.368 46.008 1 49.23 ? OG SER 25 A 1 +ATOM 156 N N HIS 26 . . A 1 -0.731 92.728 46.465 1 35.32 ? N HIS 26 A 1 +ATOM 157 C CA HIS 26 . . A 1 -1.858 91.841 46.579 1 32.06 ? CA HIS 26 A 1 +ATOM 158 C C HIS 26 . . A 1 -1.588 90.547 45.794 1 29.59 ? C HIS 26 A 1 +ATOM 159 O O HIS 26 . . A 1 -0.578 90.415 45.113 1 31.42 ? O HIS 26 A 1 +ATOM 160 C CB HIS 26 . . A 1 -3.032 92.623 45.99 1 31.02 ? CB HIS 26 A 1 +ATOM 161 N N ILE 27 . . A 1 -2.509 89.6 45.908 1 21.5 ? N ILE 27 A 1 +ATOM 162 C CA ILE 27 . . A 1 -2.427 88.321 45.23 1 20.27 ? CA ILE 27 A 1 +ATOM 163 C C ILE 27 . . A 1 -3.851 87.86 45.203 1 21.51 ? C ILE 27 A 1 +ATOM 164 O O ILE 27 . . A 1 -4.717 88.495 45.793 1 19.8 ? O ILE 27 A 1 +ATOM 165 C CB ILE 27 . . A 1 -1.505 87.378 46.027 1 19.81 ? CB ILE 27 A 1 +ATOM 166 C CG1 ILE 27 . . A 1 -0.111 87.355 45.413 1 25.98 ? CG1 ILE 27 A 1 +ATOM 167 C CG2 ILE 27 . . A 1 -2.007 85.97 46.354 1 21.89 ? CG2 ILE 27 A 1 +ATOM 168 C CD1 ILE 27 . . A 1 0.663 86.04 45.648 1 33.64 ? CD1 ILE 27 A 1 +ATOM 169 N N SER 28 . . A 1 -4.094 86.767 44.51 1 21.19 ? N SER 28 A 1 +ATOM 170 C CA SER 28 . . A 1 -5.439 86.251 44.469 1 25.17 ? CA SER 28 A 1 +ATOM 171 C C SER 28 . . A 1 -5.369 85.028 45.334 1 25.66 ? C SER 28 A 1 +ATOM 172 O O SER 28 . . A 1 -4.345 84.353 45.388 1 30.04 ? O SER 28 A 1 +ATOM 173 C CB SER 28 . . A 1 -5.835 85.861 43.03 1 29.04 ? CB SER 28 A 1 +ATOM 174 O OG SER 28 . . A 1 -5.758 86.989 42.156 1 36.88 ? OG SER 28 A 1 +ATOM 175 N N ALA 29 . . A 1 -6.46 84.718 46.01 1 23.77 ? N ALA 29 A 1 +ATOM 176 C CA ALA 29 . . A 1 -6.46 83.548 46.848 1 21.82 ? CA ALA 29 A 1 +ATOM 177 C C ALA 29 . . A 1 -7.798 82.928 46.654 1 22.7 ? C ALA 29 A 1 +ATOM 178 O O ALA 29 . . A 1 -8.797 83.637 46.615 1 21.72 ? O ALA 29 A 1 +ATOM 179 C CB ALA 29 . . A 1 -6.325 83.972 48.315 1 24.17 ? CB ALA 29 A 1 +ATOM 180 N N PHE 30 . . A 1 -7.788 81.613 46.502 1 22.31 ? N PHE 30 A 1 +ATOM 181 C CA PHE 30 . . A 1 -9.018 80.867 46.33 1 23.55 ? CA PHE 30 A 1 +ATOM 182 C C PHE 30 . . A 1 -8.917 79.88 47.469 1 24.51 ? C PHE 30 A 1 +ATOM 183 O O PHE 30 . . A 1 -8.094 78.969 47.399 1 27.63 ? O PHE 30 A 1 +ATOM 184 C CB PHE 30 . . A 1 -9.061 80.119 44.96 1 25.71 ? CB PHE 30 A 1 +ATOM 185 C CG PHE 30 . . A 1 -9.027 81.019 43.728 1 21.98 ? CG PHE 30 A 1 +ATOM 186 C CD1 PHE 30 . . A 1 -7.797 81.505 43.221 1 18.64 ? CD1 PHE 30 A 1 +ATOM 187 C CD2 PHE 30 . . A 1 -10.233 81.399 43.094 1 19.09 ? CD2 PHE 30 A 1 +ATOM 188 C CE1 PHE 30 . . A 1 -7.779 82.375 42.119 1 16.13 ? CE1 PHE 30 A 1 +ATOM 189 C CE2 PHE 30 . . A 1 -10.221 82.265 41.995 1 12.59 ? CE2 PHE 30 A 1 +ATOM 190 C CZ PHE 30 . . A 1 -8.995 82.757 41.517 1 19.18 ? CZ PHE 30 A 1 +ATOM 191 N N LEU 31 . . A 1 -9.699 80.075 48.528 1 22.04 ? N LEU 31 A 1 +ATOM 192 C CA LEU 31 . . A 1 -9.615 79.16 49.663 1 18.95 ? CA LEU 31 A 1 +ATOM 193 C C LEU 31 . . A 1 -10.854 78.281 49.734 1 20.31 ? C LEU 31 A 1 +ATOM 194 O O LEU 31 . . A 1 -11.951 78.708 49.409 1 22.57 ? O LEU 31 A 1 +ATOM 195 C CB LEU 31 . . A 1 -9.615 79.944 50.992 1 15.9 ? CB LEU 31 A 1 +ATOM 196 C CG LEU 31 . . A 1 -8.438 80.872 51.338 1 10.17 ? CG LEU 31 A 1 +ATOM 197 C CD1 LEU 31 . . A 1 -7.296 80.912 50.334 1 9.79 ? CD1 LEU 31 A 1 +ATOM 198 C CD2 LEU 31 . . A 1 -8.958 82.277 51.614 1 7.92 ? CD2 LEU 31 A 1 +ATOM 199 N N GLY 32 . . A 1 -10.675 77.043 50.189 1 19.63 ? N GLY 32 A 1 +ATOM 200 C CA GLY 32 . . A 1 -11.825 76.159 50.338 1 17.79 ? CA GLY 32 A 1 +ATOM 201 C C GLY 32 . . A 1 -12.485 75.571 49.094 1 17.48 ? C GLY 32 A 1 +ATOM 202 O O GLY 32 . . A 1 -13.682 75.307 49.118 1 19.31 ? O GLY 32 A 1 +ATOM 203 N N ILE 33 . . A 1 -11.741 75.327 47.998 1 16.16 ? N ILE 33 A 1 +ATOM 204 C CA ILE 33 . . A 1 -12.403 74.743 46.822 1 12.47 ? CA ILE 33 A 1 +ATOM 205 C C ILE 33 . . A 1 -12.593 73.236 47.093 1 11.92 ? C ILE 33 A 1 +ATOM 206 O O ILE 33 . . A 1 -11.624 72.549 47.397 1 15.94 ? O ILE 33 A 1 +ATOM 207 C CB ILE 33 . . A 1 -11.539 74.952 45.567 1 9.82 ? CB ILE 33 A 1 +ATOM 208 C CG1 ILE 33 . . A 1 -11.207 76.435 45.302 1 9.7 ? CG1 ILE 33 A 1 +ATOM 209 C CG2 ILE 33 . . A 1 -12.199 74.334 44.332 1 11.4 ? CG2 ILE 33 A 1 +ATOM 210 C CD1 ILE 33 . . A 1 -10.035 76.57 44.319 1 10.55 ? CD1 ILE 33 A 1 +ATOM 211 N N PRO 34 . . A 1 -13.822 72.711 47.015 1 9.19 ? N PRO 34 A 1 +ATOM 212 C CA PRO 34 . . A 1 -14.031 71.303 47.35 1 12.31 ? CA PRO 34 A 1 +ATOM 213 C C PRO 34 . . A 1 -13.398 70.436 46.293 1 13.3 ? C PRO 34 A 1 +ATOM 214 O O PRO 34 . . A 1 -13.393 70.816 45.138 1 18.57 ? O PRO 34 A 1 +ATOM 215 C CB PRO 34 . . A 1 -15.562 71.124 47.334 1 8.07 ? CB PRO 34 A 1 +ATOM 216 C CG PRO 34 . . A 1 -16.099 72.321 46.537 1 5.81 ? CG PRO 34 A 1 +ATOM 217 C CD PRO 34 . . A 1 -15.028 73.419 46.629 1 7.7 ? CD PRO 34 A 1 +ATOM 218 N N PHE 35 . . A 1 -12.895 69.263 46.671 1 14.36 ? N PHE 35 A 1 +ATOM 219 C CA PHE 35 . . A 1 -12.3 68.406 45.655 1 9.91 ? CA PHE 35 A 1 +ATOM 220 C C PHE 35 . . A 1 -12.831 66.998 45.693 1 12.79 ? C PHE 35 A 1 +ATOM 221 O O PHE 35 . . A 1 -12.381 66.173 44.914 1 15.8 ? O PHE 35 A 1 +ATOM 222 C CB PHE 35 . . A 1 -10.776 68.408 45.715 1 11.07 ? CB PHE 35 A 1 +ATOM 223 C CG PHE 35 . . A 1 -10.152 67.808 46.961 1 17.39 ? CG PHE 35 A 1 +ATOM 224 C CD1 PHE 35 . . A 1 -10.133 66.414 47.151 1 16.8 ? CD1 PHE 35 A 1 +ATOM 225 C CD2 PHE 35 . . A 1 -9.518 68.631 47.914 1 19.76 ? CD2 PHE 35 A 1 +ATOM 226 C CE1 PHE 35 . . A 1 -9.469 65.84 48.245 1 18.35 ? CE1 PHE 35 A 1 +ATOM 227 C CE2 PHE 35 . . A 1 -8.852 68.058 49.009 1 19.78 ? CE2 PHE 35 A 1 +ATOM 228 C CZ PHE 35 . . A 1 -8.822 66.664 49.171 1 20.22 ? CZ PHE 35 A 1 +ATOM 229 N N ALA 36 . . A 1 -13.774 66.688 46.592 1 10.85 ? N ALA 36 A 1 +ATOM 230 C CA ALA 36 . . A 1 -14.325 65.34 46.667 1 8.56 ? CA ALA 36 A 1 +ATOM 231 C C ALA 36 . . A 1 -15.632 65.48 47.393 1 12.49 ? C ALA 36 A 1 +ATOM 232 O O ALA 36 . . A 1 -15.897 66.525 47.967 1 18.58 ? O ALA 36 A 1 +ATOM 233 C CB ALA 36 . . A 1 -13.386 64.415 47.425 1 6.98 ? CB ALA 36 A 1 +ATOM 234 N N GLU 37 . . A 1 -16.48 64.461 47.356 1 17.66 ? N GLU 37 A 1 +ATOM 235 C CA GLU 37 . . A 1 -17.76 64.582 48.069 1 21.71 ? CA GLU 37 A 1 +ATOM 236 C C GLU 37 . . A 1 -17.514 64.41 49.571 1 22.94 ? C GLU 37 A 1 +ATOM 237 O O GLU 37 . . A 1 -16.832 63.452 49.918 1 26.27 ? O GLU 37 A 1 +ATOM 238 C CB GLU 37 . . A 1 -18.75 63.467 47.648 1 23.74 ? CB GLU 37 A 1 +ATOM 239 C CG GLU 37 . . A 1 -19.328 63.616 46.228 1 27.33 ? CG GLU 37 A 1 +ATOM 240 C CD GLU 37 . . A 1 -20.406 64.704 46.157 1 31.25 ? CD GLU 37 A 1 +ATOM 241 O OE1 GLU 37 . . A 1 -21.535 64.424 46.561 1 34.04 ? OE1 GLU 37 A 1 +ATOM 242 O OE2 GLU 37 . . A 1 -20.126 65.817 45.704 1 30.36 ? OE2 GLU 37 A 1 +ATOM 243 N N PRO 38 . . A 1 -18.101 65.289 50.436 1 23.11 ? N PRO 38 A 1 +ATOM 244 C CA PRO 38 . . A 1 -17.897 65.221 51.887 1 17.99 ? CA PRO 38 A 1 +ATOM 245 C C PRO 38 . . A 1 -18.053 63.833 52.455 1 17.78 ? C PRO 38 A 1 +ATOM 246 O O PRO 38 . . A 1 -19.148 63.295 52.367 1 23.08 ? O PRO 38 A 1 +ATOM 247 C CB PRO 38 . . A 1 -18.999 66.109 52.467 1 15.25 ? CB PRO 38 A 1 +ATOM 248 C CG PRO 38 . . A 1 -19.381 67.077 51.348 1 21.82 ? CG PRO 38 A 1 +ATOM 249 C CD PRO 38 . . A 1 -19.04 66.343 50.042 1 25.22 ? CD PRO 38 A 1 +ATOM 250 N N PRO 39 . . A 1 -16.988 63.271 53.04 1 14.62 ? N PRO 39 A 1 +ATOM 251 C CA PRO 39 . . A 1 -17.013 61.878 53.449 1 14.68 ? CA PRO 39 A 1 +ATOM 252 C C PRO 39 . . A 1 -17.702 61.743 54.784 1 18.19 ? C PRO 39 A 1 +ATOM 253 O O PRO 39 . . A 1 -17.113 61.328 55.779 1 26.5 ? O PRO 39 A 1 +ATOM 254 C CB PRO 39 . . A 1 -15.525 61.549 53.563 1 12.52 ? CB PRO 39 A 1 +ATOM 255 C CG PRO 39 . . A 1 -14.86 62.88 53.931 1 13.31 ? CG PRO 39 A 1 +ATOM 256 C CD PRO 39 . . A 1 -15.722 63.95 53.278 1 10.24 ? CD PRO 39 A 1 +ATOM 257 N N VAL 40 . . A 1 -18.959 62.123 54.81 1 17.25 ? N VAL 40 A 1 +ATOM 258 C CA VAL 40 . . A 1 -19.699 62.057 56.038 1 17.22 ? CA VAL 40 A 1 +ATOM 259 C C VAL 40 . . A 1 -20.662 60.892 55.947 1 20.33 ? C VAL 40 A 1 +ATOM 260 O O VAL 40 . . A 1 -20.742 60.152 54.976 1 25.8 ? O VAL 40 A 1 +ATOM 261 C CB VAL 40 . . A 1 -20.37 63.44 56.216 1 15.36 ? CB VAL 40 A 1 +ATOM 262 C CG1 VAL 40 . . A 1 -19.347 64.601 56.138 1 6.48 ? CG1 VAL 40 A 1 +ATOM 263 C CG2 VAL 40 . . A 1 -21.509 63.677 55.208 1 18.85 ? CG2 VAL 40 A 1 +ATOM 264 N N GLY 41 . . A 1 -21.42 60.721 57.009 1 24.29 ? N GLY 41 A 1 +ATOM 265 C CA GLY 41 . . A 1 -22.414 59.661 57.013 1 25.93 ? CA GLY 41 A 1 +ATOM 266 C C GLY 41 . . A 1 -21.868 58.298 56.733 1 26.15 ? C GLY 41 A 1 +ATOM 267 O O GLY 41 . . A 1 -20.822 57.901 57.228 1 30.02 ? O GLY 41 A 1 +ATOM 268 N N ASN 42 . . A 1 -22.623 57.602 55.878 1 28.14 ? N ASN 42 A 1 +ATOM 269 C CA ASN 42 . . A 1 -22.273 56.252 55.477 1 31.52 ? CA ASN 42 A 1 +ATOM 270 C C ASN 42 . . A 1 -20.982 56.182 54.642 1 32.76 ? C ASN 42 A 1 +ATOM 271 O O ASN 42 . . A 1 -20.514 55.113 54.276 1 31.62 ? O ASN 42 A 1 +ATOM 272 C CB ASN 42 . . A 1 -23.492 55.583 54.843 1 29.49 ? CB ASN 42 A 1 +ATOM 273 N N MET 43 . . A 1 -20.39 57.351 54.357 1 33.93 ? N MET 43 A 1 +ATOM 274 C CA MET 43 . . A 1 -19.153 57.405 53.59 1 34.65 ? CA MET 43 A 1 +ATOM 275 C C MET 43 . . A 1 -17.935 57.446 54.473 1 33.26 ? C MET 43 A 1 +ATOM 276 O O MET 43 . . A 1 -16.805 57.433 53.997 1 34.27 ? O MET 43 A 1 +ATOM 277 C CB MET 43 . . A 1 -19.165 58.63 52.682 1 37.67 ? CB MET 43 A 1 +ATOM 278 C CG MET 43 . . A 1 -20.371 58.55 51.737 1 40.13 ? CG MET 43 A 1 +ATOM 279 S SD MET 43 . . A 1 -19.833 59.076 50.095 1 47.63 ? SD MET 43 A 1 +ATOM 280 C CE MET 43 . . A 1 -19.69 60.877 50.378 1 44.23 ? CE MET 43 A 1 +ATOM 281 N N ARG 44 . . A 1 -18.166 57.528 55.783 1 30.06 ? N ARG 44 A 1 +ATOM 282 C CA ARG 44 . . A 1 -17.026 57.556 56.677 1 26.22 ? CA ARG 44 A 1 +ATOM 283 C C ARG 44 . . A 1 -16.2 56.29 56.45 1 23.34 ? C ARG 44 A 1 +ATOM 284 O O ARG 44 . . A 1 -16.777 55.227 56.309 1 17.04 ? O ARG 44 A 1 +ATOM 285 C CB ARG 44 . . A 1 -17.503 57.608 58.154 1 26.73 ? CB ARG 44 A 1 +ATOM 286 C CG ARG 44 . . A 1 -16.35 57.879 59.143 1 24.95 ? CG ARG 44 A 1 +ATOM 287 C CD ARG 44 . . A 1 -16.741 57.776 60.605 1 19.41 ? CD ARG 44 A 1 +ATOM 288 N NE ARG 44 . . A 1 -17.507 58.934 61.005 1 20.92 ? NE ARG 44 A 1 +ATOM 289 C CZ ARG 44 . . A 1 -18.057 58.982 62.228 1 25.75 ? CZ ARG 44 A 1 +ATOM 290 N NH1 ARG 44 . . A 1 -17.995 57.949 63.063 1 20.03 ? NH1 ARG 44 A 1 +ATOM 291 N NH2 ARG 44 . . A 1 -18.688 60.079 62.62 1 28.74 ? NH2 ARG 44 A 1 +ATOM 292 N N PHE 45 . . A 1 -14.874 56.43 56.432 1 22.58 ? N PHE 45 A 1 +ATOM 293 C CA PHE 45 . . A 1 -13.973 55.303 56.241 1 24.6 ? CA PHE 45 A 1 +ATOM 294 C C PHE 45 . . A 1 -13.869 54.856 54.801 1 26.95 ? C PHE 45 A 1 +ATOM 295 O O PHE 45 . . A 1 -12.971 54.09 54.462 1 32.12 ? O PHE 45 A 1 +ATOM 296 C CB PHE 45 . . A 1 -14.279 54.062 57.117 1 24.86 ? CB PHE 45 A 1 +ATOM 297 C CG PHE 45 . . A 1 -14.422 54.432 58.584 1 31.63 ? CG PHE 45 A 1 +ATOM 298 C CD1 PHE 45 . . A 1 -13.381 55.119 59.26 1 29.49 ? CD1 PHE 45 A 1 +ATOM 299 C CD2 PHE 45 . . A 1 -15.605 54.12 59.289 1 29.74 ? CD2 PHE 45 A 1 +ATOM 300 C CE1 PHE 45 . . A 1 -13.531 55.5 60.597 1 26.98 ? CE1 PHE 45 A 1 +ATOM 301 C CE2 PHE 45 . . A 1 -15.744 54.5 60.63 1 28.3 ? CE2 PHE 45 A 1 +ATOM 302 C CZ PHE 45 . . A 1 -14.716 55.196 61.278 1 26.58 ? CZ PHE 45 A 1 +ATOM 303 N N ARG 46 . . A 1 -14.77 55.33 53.947 1 26.89 ? N ARG 46 A 1 +ATOM 304 C CA ARG 46 . . A 1 -14.704 54.881 52.56 1 25.38 ? CA ARG 46 A 1 +ATOM 305 C C ARG 46 . . A 1 -13.835 55.815 51.756 1 22.97 ? C ARG 46 A 1 +ATOM 306 O O ARG 46 . . A 1 -13.538 56.937 52.136 1 19.69 ? O ARG 46 A 1 +ATOM 307 C CB ARG 46 . . A 1 -16.095 54.907 51.956 1 30.17 ? CB ARG 46 A 1 +ATOM 308 C CG ARG 46 . . A 1 -16.952 53.785 52.545 1 36.6 ? CG ARG 46 A 1 +ATOM 309 C CD ARG 46 . . A 1 -18.289 53.639 51.817 1 45.15 ? CD ARG 46 A 1 +ATOM 310 N NE ARG 46 . . A 1 -18.359 52.39 51.078 1 50.41 ? NE ARG 46 A 1 +ATOM 311 N N ARG 47 . . A 1 -13.446 55.274 50.622 1 17.96 ? N ARG 47 A 1 +ATOM 312 C CA ARG 47 . . A 1 -12.572 56.029 49.722 1 13.93 ? CA ARG 47 A 1 +ATOM 313 C C ARG 47 . . A 1 -13.318 57.269 49.231 1 10.14 ? C ARG 47 A 1 +ATOM 314 O O ARG 47 . . A 1 -14.526 57.161 49.107 1 14.08 ? O ARG 47 A 1 +ATOM 315 C CB ARG 47 . . A 1 -12.068 55.222 48.516 1 16.88 ? CB ARG 47 A 1 +ATOM 316 C CG ARG 47 . . A 1 -12.371 53.729 48.484 1 22.12 ? CG ARG 47 A 1 +ATOM 317 C CD ARG 47 . . A 1 -11.133 52.923 47.979 1 23.05 ? CD ARG 47 A 1 +ATOM 318 N NE ARG 47 . . A 1 -11.447 51.504 47.852 0.06 15.19 ? NE ARG 47 A 1 +ATOM 319 C CZ ARG 47 . . A 1 -10.463 50.635 47.534 0.06 12.62 ? CZ ARG 47 A 1 +ATOM 320 N NH1 ARG 47 . . A 1 -9.186 50.983 47.289 0.06 11.23 ? NH1 ARG 47 A 1 +ATOM 321 N NH2 ARG 47 . . A 1 -10.897 49.352 47.483 0.06 10.41 ? NH2 ARG 47 A 1 +ATOM 322 N N PRO 48 . . A 1 -12.618 58.367 48.935 1 6.34 ? N PRO 48 A 1 +ATOM 323 C CA PRO 48 . . A 1 -13.323 59.597 48.534 1 11.93 ? CA PRO 48 A 1 +ATOM 324 C C PRO 48 . . A 1 -13.937 59.577 47.126 1 16.79 ? C PRO 48 A 1 +ATOM 325 O O PRO 48 . . A 1 -13.374 59.012 46.195 1 17.1 ? O PRO 48 A 1 +ATOM 326 C CB PRO 48 . . A 1 -12.224 60.664 48.594 1 8.51 ? CB PRO 48 A 1 +ATOM 327 C CG PRO 48 . . A 1 -10.92 59.881 48.407 1 8.25 ? CG PRO 48 A 1 +ATOM 328 C CD PRO 48 . . A 1 -11.171 58.513 49.037 1 5.71 ? CD PRO 48 A 1 +ATOM 329 N N GLU 49 . . A 1 -15.109 60.234 46.973 1 20.27 ? N GLU 49 A 1 +ATOM 330 C CA GLU 49 . . A 1 -15.726 60.303 45.642 1 20.95 ? CA GLU 49 A 1 +ATOM 331 C C GLU 49 . . A 1 -15.296 61.616 45.036 1 20.57 ? C GLU 49 A 1 +ATOM 332 O O GLU 49 . . A 1 -15.185 62.573 45.792 1 21.43 ? O GLU 49 A 1 +ATOM 333 C CB GLU 49 . . A 1 -17.264 60.383 45.663 1 27.74 ? CB GLU 49 A 1 +ATOM 334 C CG GLU 49 . . A 1 -17.958 59.115 46.176 1 37.97 ? CG GLU 49 A 1 +ATOM 335 C CD GLU 49 . . A 1 -19.473 59.23 46.012 1 42.75 ? CD GLU 49 A 1 +ATOM 336 O OE1 GLU 49 . . A 1 -20.03 60.296 46.295 1 47.09 ? OE1 GLU 49 A 1 +ATOM 337 O OE2 GLU 49 . . A 1 -20.092 58.25 45.598 1 49.76 ? OE2 GLU 49 A 1 +ATOM 338 N N PRO 50 . . A 1 -15.143 61.696 43.692 1 19.49 ? N PRO 50 A 1 +ATOM 339 C CA PRO 50 . . A 1 -14.871 62.976 43.054 1 17.83 ? CA PRO 50 A 1 +ATOM 340 C C PRO 50 . . A 1 -16.095 63.827 43.265 1 22.18 ? C PRO 50 A 1 +ATOM 341 O O PRO 50 . . A 1 -17.208 63.309 43.296 1 26.65 ? O PRO 50 A 1 +ATOM 342 C CB PRO 50 . . A 1 -14.564 62.647 41.609 1 18.41 ? CB PRO 50 A 1 +ATOM 343 C CG PRO 50 . . A 1 -14.684 61.118 41.449 1 22.2 ? CG PRO 50 A 1 +ATOM 344 C CD PRO 50 . . A 1 -15.207 60.57 42.775 1 20.22 ? CD PRO 50 A 1 +ATOM 345 N N LYS 51 . . A 1 -15.878 65.129 43.433 1 24.77 ? N LYS 51 A 1 +ATOM 346 C CA LYS 51 . . A 1 -17.011 65.994 43.725 1 29.54 ? CA LYS 51 A 1 +ATOM 347 C C LYS 51 . . A 1 -17.92 66.304 42.558 1 33.14 ? C LYS 51 A 1 +ATOM 348 O O LYS 51 . . A 1 -17.46 66.654 41.482 1 36.22 ? O LYS 51 A 1 +ATOM 349 C CB LYS 51 . . A 1 -16.494 67.315 44.305 1 30.84 ? CB LYS 51 A 1 +ATOM 350 C CG LYS 51 . . A 1 -17.438 67.93 45.35 1 29.1 ? CG LYS 51 A 1 +ATOM 351 C CD LYS 51 . . A 1 -17.954 69.297 44.917 1 32.33 ? CD LYS 51 A 1 +ATOM 352 C CE LYS 51 . . A 1 -18.78 70.023 45.989 1 37.69 ? CE LYS 51 A 1 +ATOM 353 N NZ LYS 51 . . A 1 -19.987 69.282 46.342 1 44.09 ? NZ LYS 51 A 1 +ATOM 354 N N LYS 52 . . A 1 -19.237 66.214 42.814 1 33.86 ? N LYS 52 A 1 +ATOM 355 C CA LYS 52 . . A 1 -20.193 66.535 41.757 1 34.64 ? CA LYS 52 A 1 +ATOM 356 C C LYS 52 . . A 1 -20.045 68.015 41.406 1 34.51 ? C LYS 52 A 1 +ATOM 357 O O LYS 52 . . A 1 -19.902 68.825 42.311 1 32.61 ? O LYS 52 A 1 +ATOM 358 C CB LYS 52 . . A 1 -21.631 66.295 42.23 1 38.77 ? CB LYS 52 A 1 +ATOM 359 C CG LYS 52 . . A 1 -21.923 64.811 42.475 1 43.55 ? CG LYS 52 A 1 +ATOM 360 C CD LYS 52 . . A 1 -23.163 64.61 43.356 1 47.58 ? CD LYS 52 A 1 +ATOM 361 C CE LYS 52 . . A 1 -23.393 63.127 43.7 1 52.94 ? CE LYS 52 A 1 +ATOM 362 N NZ LYS 52 . . A 1 -24.124 62.998 44.953 1 56.7 ? NZ LYS 52 A 1 +ATOM 363 N N PRO 53 . . A 1 -20.056 68.371 40.105 1 35.14 ? N PRO 53 A 1 +ATOM 364 C CA PRO 53 . . A 1 -19.88 69.766 39.752 1 35.65 ? CA PRO 53 A 1 +ATOM 365 C C PRO 53 . . A 1 -20.983 70.593 40.35 1 36.92 ? C PRO 53 A 1 +ATOM 366 O O PRO 53 . . A 1 -22.042 70.101 40.731 1 37.97 ? O PRO 53 A 1 +ATOM 367 C CB PRO 53 . . A 1 -19.919 69.766 38.22 1 34.28 ? CB PRO 53 A 1 +ATOM 368 C CG PRO 53 . . A 1 -19.604 68.327 37.802 1 32.67 ? CG PRO 53 A 1 +ATOM 369 C CD PRO 53 . . A 1 -20.125 67.473 38.956 1 33.93 ? CD PRO 53 A 1 +ATOM 370 N N TRP 54 . . A 1 -20.715 71.881 40.395 1 37.83 ? N TRP 54 A 1 +ATOM 371 C CA TRP 54 . . A 1 -21.704 72.773 40.948 1 37.84 ? CA TRP 54 A 1 +ATOM 372 C C TRP 54 . . A 1 -22.015 73.853 39.924 1 41.97 ? C TRP 54 A 1 +ATOM 373 O O TRP 54 . . A 1 -21.31 74.126 38.951 1 41.63 ? O TRP 54 A 1 +ATOM 374 C CB TRP 54 . . A 1 -21.223 73.316 42.315 1 30.12 ? CB TRP 54 A 1 +ATOM 375 C CG TRP 54 . . A 1 -19.918 74.055 42.16 1 17.64 ? CG TRP 54 A 1 +ATOM 376 C CD1 TRP 54 . . A 1 -19.78 75.404 41.755 1 17.68 ? CD1 TRP 54 A 1 +ATOM 377 C CD2 TRP 54 . . A 1 -18.631 73.527 42.308 1 15.11 ? CD2 TRP 54 A 1 +ATOM 378 N NE1 TRP 54 . . A 1 -18.473 75.731 41.635 1 18.46 ? NE1 TRP 54 A 1 +ATOM 379 C CE2 TRP 54 . . A 1 -17.707 74.634 41.955 1 16.29 ? CE2 TRP 54 A 1 +ATOM 380 C CE3 TRP 54 . . A 1 -18.123 72.274 42.655 1 9.58 ? CE3 TRP 54 A 1 +ATOM 381 C CZ2 TRP 54 . . A 1 -16.324 74.409 41.983 1 12.62 ? CZ2 TRP 54 A 1 +ATOM 382 C CZ3 TRP 54 . . A 1 -16.732 72.09 42.666 1 8.82 ? CZ3 TRP 54 A 1 +ATOM 383 C CH2 TRP 54 . . A 1 -15.847 73.138 42.342 1 11.55 ? CH2 TRP 54 A 1 +ATOM 384 N N SER 55 . . A 1 -23.157 74.468 40.195 1 46.06 ? N SER 55 A 1 +ATOM 385 C CA SER 55 . . A 1 -23.649 75.549 39.372 1 48.87 ? CA SER 55 A 1 +ATOM 386 C C SER 55 . . A 1 -23.364 76.787 40.199 1 47.85 ? C SER 55 A 1 +ATOM 387 O O SER 55 . . A 1 -23.043 76.715 41.382 1 46.18 ? O SER 55 A 1 +ATOM 388 C CB SER 55 . . A 1 -25.153 75.354 39.109 1 51.18 ? CB SER 55 A 1 +ATOM 389 O OG SER 55 . . A 1 -25.787 74.843 40.292 1 58.54 ? OG SER 55 A 1 +ATOM 390 N N GLY 56 . . A 1 -23.508 77.943 39.575 1 46.29 ? N GLY 56 A 1 +ATOM 391 C CA GLY 56 . . A 1 -23.243 79.12 40.376 1 46.52 ? CA GLY 56 A 1 +ATOM 392 C C GLY 56 . . A 1 -21.763 79.303 40.447 1 43.81 ? C GLY 56 A 1 +ATOM 393 O O GLY 56 . . A 1 -21.016 78.78 39.623 1 46.74 ? O GLY 56 A 1 +ATOM 394 N N VAL 57 . . A 1 -21.377 80.089 41.434 1 39.39 ? N VAL 57 A 1 +ATOM 395 C CA VAL 57 . . A 1 -19.994 80.367 41.663 1 35.44 ? CA VAL 57 A 1 +ATOM 396 C C VAL 57 . . A 1 -19.775 79.847 43.07 1 38.08 ? C VAL 57 A 1 +ATOM 397 O O VAL 57 . . A 1 -20.596 80.025 43.964 1 37.4 ? O VAL 57 A 1 +ATOM 398 C CB VAL 57 . . A 1 -19.733 81.891 41.571 1 29.31 ? CB VAL 57 A 1 +ATOM 399 C CG1 VAL 57 . . A 1 -18.822 82.249 40.414 1 29.88 ? CG1 VAL 57 A 1 +ATOM 400 C CG2 VAL 57 . . A 1 -21.016 82.725 41.454 1 35.24 ? CG2 VAL 57 A 1 +ATOM 401 N N TRP 58 . . A 1 -18.641 79.18 43.258 1 38.8 ? N TRP 58 A 1 +ATOM 402 C CA TRP 58 . . A 1 -18.314 78.692 44.572 1 34.49 ? CA TRP 58 A 1 +ATOM 403 C C TRP 58 . . A 1 -17.604 79.887 45.168 1 35.37 ? C TRP 58 A 1 +ATOM 404 O O TRP 58 . . A 1 -16.763 80.508 44.513 1 36.57 ? O TRP 58 A 1 +ATOM 405 C CB TRP 58 . . A 1 -17.32 77.542 44.483 1 32.34 ? CB TRP 58 A 1 +ATOM 406 C CG TRP 58 . . A 1 -17.216 76.872 45.822 1 33.36 ? CG TRP 58 A 1 +ATOM 407 C CD1 TRP 58 . . A 1 -16.307 77.208 46.851 1 30.36 ? CD1 TRP 58 A 1 +ATOM 408 C CD2 TRP 58 . . A 1 -18.023 75.828 46.28 1 30.42 ? CD2 TRP 58 A 1 +ATOM 409 N NE1 TRP 58 . . A 1 -16.53 76.417 47.92 1 30.04 ? NE1 TRP 58 A 1 +ATOM 410 C CE2 TRP 58 . . A 1 -17.56 75.553 47.647 1 28.9 ? CE2 TRP 58 A 1 +ATOM 411 C CE3 TRP 58 . . A 1 -19.06 75.079 45.722 1 32.78 ? CE3 TRP 58 A 1 +ATOM 412 C CZ2 TRP 58 . . A 1 -18.195 74.553 48.389 1 30.89 ? CZ2 TRP 58 A 1 +ATOM 413 C CZ3 TRP 58 . . A 1 -19.668 74.071 46.487 1 34.22 ? CZ3 TRP 58 A 1 +ATOM 414 C CH2 TRP 58 . . A 1 -19.244 73.819 47.804 1 35.78 ? CH2 TRP 58 A 1 +ATOM 415 N N ASN 59 . . A 1 -17.961 80.227 46.395 1 34.61 ? N ASN 59 A 1 +ATOM 416 C CA ASN 59 . . A 1 -17.306 81.37 47.007 1 32.65 ? CA ASN 59 A 1 +ATOM 417 C C ASN 59 . . A 1 -16.065 80.811 47.645 1 30.32 ? C ASN 59 A 1 +ATOM 418 O O ASN 59 . . A 1 -16.183 79.977 48.525 1 33.22 ? O ASN 59 A 1 +ATOM 419 C CB ASN 59 . . A 1 -18.226 81.979 48.075 1 37.84 ? CB ASN 59 A 1 +ATOM 420 C CG ASN 59 . . A 1 -17.671 83.293 48.596 1 42.52 ? CG ASN 59 A 1 +ATOM 421 O OD1 ASN 59 . . A 1 -17.007 83.365 49.615 1 47.22 ? OD1 ASN 59 A 1 +ATOM 422 N ND2 ASN 59 . . A 1 -17.927 84.356 47.842 1 44.27 ? ND2 ASN 59 A 1 +ATOM 423 N N ALA 60 . . A 1 -14.896 81.244 47.205 1 24.99 ? N ALA 60 A 1 +ATOM 424 C CA ALA 60 . . A 1 -13.669 80.73 47.765 1 23.98 ? CA ALA 60 A 1 +ATOM 425 C C ALA 60 . . A 1 -12.939 81.819 48.482 1 27.18 ? C ALA 60 A 1 +ATOM 426 O O ALA 60 . . A 1 -11.769 82.062 48.199 1 27.44 ? O ALA 60 A 1 +ATOM 427 C CB ALA 60 . . A 1 -12.767 80.191 46.652 1 26.41 ? CB ALA 60 A 1 +ATOM 428 N N SER 61 . . A 1 -13.642 82.467 49.421 1 31.48 ? N SER 61 A 1 +ATOM 429 C CA SER 61 . . A 1 -13.04 83.578 50.173 1 32.86 ? CA SER 61 A 1 +ATOM 430 C C SER 61 . . A 1 -12.625 83.304 51.622 1 34.53 ? C SER 61 A 1 +ATOM 431 O O SER 61 . . A 1 -12.053 84.157 52.298 1 36.5 ? O SER 61 A 1 +ATOM 432 C CB SER 61 . . A 1 -14.065 84.73 50.228 1 31.96 ? CB SER 61 A 1 +ATOM 433 O OG SER 61 . . A 1 -14.657 84.951 48.941 1 38.85 ? OG SER 61 A 1 +ATOM 434 N N THR 62 . . A 1 -12.931 82.118 52.137 1 33.87 ? N THR 62 A 1 +ATOM 435 C CA THR 62 . . A 1 -12.587 81.857 53.529 1 30.62 ? CA THR 62 A 1 +ATOM 436 C C THR 62 . . A 1 -11.978 80.477 53.615 1 28.79 ? C THR 62 A 1 +ATOM 437 O O THR 62 . . A 1 -12.095 79.707 52.675 1 32.61 ? O THR 62 A 1 +ATOM 438 C CB THR 62 . . A 1 -13.883 82.017 54.348 1 31.32 ? CB THR 62 A 1 +ATOM 439 O OG1 THR 62 . . A 1 -14.976 81.404 53.663 1 29.68 ? OG1 THR 62 A 1 +ATOM 440 C CG2 THR 62 . . A 1 -14.286 83.49 54.576 1 31.03 ? CG2 THR 62 A 1 +ATOM 441 N N TYR 63 . . A 1 -11.3 80.174 54.729 1 25.93 ? N TYR 63 A 1 +ATOM 442 C CA TYR 63 . . A 1 -10.717 78.836 54.813 1 19.78 ? CA TYR 63 A 1 +ATOM 443 C C TYR 63 . . A 1 -11.796 77.818 55.072 1 18.69 ? C TYR 63 A 1 +ATOM 444 O O TYR 63 . . A 1 -12.836 78.14 55.619 1 18.46 ? O TYR 63 A 1 +ATOM 445 C CB TYR 63 . . A 1 -9.722 78.71 55.951 1 15.15 ? CB TYR 63 A 1 +ATOM 446 C CG TYR 63 . . A 1 -8.453 79.424 55.622 1 15.43 ? CG TYR 63 A 1 +ATOM 447 C CD1 TYR 63 . . A 1 -7.489 78.794 54.827 1 15.81 ? CD1 TYR 63 A 1 +ATOM 448 C CD2 TYR 63 . . A 1 -8.225 80.72 56.109 1 17.62 ? CD2 TYR 63 A 1 +ATOM 449 C CE1 TYR 63 . . A 1 -6.285 79.443 54.537 1 19.43 ? CE1 TYR 63 A 1 +ATOM 450 C CE2 TYR 63 . . A 1 -7.024 81.375 55.809 1 20.65 ? CE2 TYR 63 A 1 +ATOM 451 C CZ TYR 63 . . A 1 -6.048 80.737 55.025 1 19.7 ? CZ TYR 63 A 1 +ATOM 452 O OH TYR 63 . . A 1 -4.857 81.38 54.735 1 24.19 ? OH TYR 63 A 1 +ATOM 453 N N PRO 64 . . A 1 -11.522 76.573 54.693 1 19.06 ? N PRO 64 A 1 +ATOM 454 C CA PRO 64 . . A 1 -12.468 75.517 55.001 1 20.68 ? CA PRO 64 A 1 +ATOM 455 C C PRO 64 . . A 1 -12.327 75.036 56.444 1 18.38 ? C PRO 64 A 1 +ATOM 456 O O PRO 64 . . A 1 -11.485 75.45 57.224 1 17.54 ? O PRO 64 A 1 +ATOM 457 C CB PRO 64 . . A 1 -12.081 74.422 53.982 1 22.54 ? CB PRO 64 A 1 +ATOM 458 C CG PRO 64 . . A 1 -10.591 74.661 53.665 1 21.58 ? CG PRO 64 A 1 +ATOM 459 C CD PRO 64 . . A 1 -10.386 76.162 53.866 1 19.54 ? CD PRO 64 A 1 +ATOM 460 N N ASN 65 . . A 1 -13.221 74.112 56.766 1 20.56 ? N ASN 65 A 1 +ATOM 461 C CA ASN 65 . . A 1 -13.196 73.527 58.091 1 23.26 ? CA ASN 65 A 1 +ATOM 462 C C ASN 65 . . A 1 -11.989 72.626 58.109 1 22.74 ? C ASN 65 A 1 +ATOM 463 O O ASN 65 . . A 1 -11.47 72.232 57.067 1 23.75 ? O ASN 65 A 1 +ATOM 464 C CB ASN 65 . . A 1 -14.439 72.651 58.366 1 27.73 ? CB ASN 65 A 1 +ATOM 465 C CG ASN 65 . . A 1 -15.731 73.455 58.323 1 36.61 ? CG ASN 65 A 1 +ATOM 466 O OD1 ASN 65 . . A 1 -15.859 74.583 58.789 1 37.06 ? OD1 ASN 65 A 1 +ATOM 467 N ND2 ASN 65 . . A 1 -16.725 72.834 57.702 1 40.45 ? ND2 ASN 65 A 1 +ATOM 468 N N ASN 66 . . A 1 -11.573 72.259 59.314 1 21.64 ? N ASN 66 A 1 +ATOM 469 C CA ASN 66 . . A 1 -10.423 71.387 59.44 1 16.44 ? CA ASN 66 A 1 +ATOM 470 C C ASN 66 . . A 1 -10.979 70.013 59.711 1 16.55 ? C ASN 66 A 1 +ATOM 471 O O ASN 66 . . A 1 -12.11 69.833 60.146 1 14.3 ? O ASN 66 A 1 +ATOM 472 C CB ASN 66 . . A 1 -9.482 71.882 60.547 1 16.96 ? CB ASN 66 A 1 +ATOM 473 C CG ASN 66 . . A 1 -8.813 73.191 60.115 1 18.49 ? CG ASN 66 A 1 +ATOM 474 O OD1 ASN 66 . . A 1 -8.817 73.579 58.965 1 26.03 ? OD1 ASN 66 A 1 +ATOM 475 N ND2 ASN 66 . . A 1 -8.183 73.894 61.037 1 16.89 ? ND2 ASN 66 A 1 +ATOM 476 N N CYS 67 . . A 1 -10.185 68.993 59.417 1 17.25 ? N CYS 67 A 1 +ATOM 477 C CA CYS 67 . . A 1 -10.706 67.656 59.682 1 18.57 ? CA CYS 67 A 1 +ATOM 478 C C CYS 67 . . A 1 -10.667 67.45 61.184 1 19.81 ? C CYS 67 A 1 +ATOM 479 O O CYS 67 . . A 1 -9.984 68.203 61.875 1 20.61 ? O CYS 67 A 1 +ATOM 480 C CB CYS 67 . . A 1 -9.863 66.601 58.96 1 17.42 ? CB CYS 67 A 1 +ATOM 481 S SG CYS 67 . . A 1 -9.905 66.802 57.151 1 18.98 ? SG CYS 67 A 1 +ATOM 482 N N GLN 68 . . A 1 -11.393 66.439 61.675 1 17.55 ? N GLN 68 A 1 +ATOM 483 C CA GLN 68 . . A 1 -11.407 66.168 63.091 1 17.18 ? CA GLN 68 A 1 +ATOM 484 C C GLN 68 . . A 1 -10.043 65.664 63.483 1 19.88 ? C GLN 68 A 1 +ATOM 485 O O GLN 68 . . A 1 -9.417 64.953 62.712 1 21.99 ? O GLN 68 A 1 +ATOM 486 C CB GLN 68 . . A 1 -12.416 65.039 63.353 1 15.22 ? CB GLN 68 A 1 +ATOM 487 C CG GLN 68 . . A 1 -13.847 65.325 62.915 1 18.79 ? CG GLN 68 A 1 +ATOM 488 C CD GLN 68 . . A 1 -14.639 66.144 63.915 1 21.79 ? CD GLN 68 A 1 +ATOM 489 O OE1 GLN 68 . . A 1 -15.813 65.936 64.118 1 25.17 ? OE1 GLN 68 A 1 +ATOM 490 N NE2 GLN 68 . . A 1 -14.006 67.092 64.571 1 21.53 ? NE2 GLN 68 A 1 +ATOM 491 N N GLN 69 . . A 1 -9.585 66.025 64.673 1 20.12 ? N GLN 69 A 1 +ATOM 492 C CA GLN 69 . . A 1 -8.279 65.555 65.08 1 18.14 ? CA GLN 69 A 1 +ATOM 493 C C GLN 69 . . A 1 -8.147 65.827 66.551 1 17.2 ? C GLN 69 A 1 +ATOM 494 O O GLN 69 . . A 1 -9.001 66.466 67.156 1 19.15 ? O GLN 69 A 1 +ATOM 495 C CB GLN 69 . . A 1 -7.197 66.296 64.294 1 13.21 ? CB GLN 69 A 1 +ATOM 496 C CG GLN 69 . . A 1 -7.408 67.813 64.392 1 13.01 ? CG GLN 69 A 1 +ATOM 497 C CD GLN 69 . . A 1 -6.498 68.483 63.423 1 16.68 ? CD GLN 69 A 1 +ATOM 498 O OE1 GLN 69 . . A 1 -5.318 68.723 63.68 1 11.84 ? OE1 GLN 69 A 1 +ATOM 499 N NE2 GLN 69 . . A 1 -7.09 68.699 62.256 1 13.06 ? NE2 GLN 69 A 1 +ATOM 500 N N TYR 70 . . A 1 -7.044 65.343 67.113 1 14.49 ? N TYR 70 A 1 +ATOM 501 C CA TYR 70 . . A 1 -6.79 65.538 68.513 1 12.98 ? CA TYR 70 A 1 +ATOM 502 C C TYR 70 . . A 1 -6.205 66.938 68.694 1 15.14 ? C TYR 70 A 1 +ATOM 503 O O TYR 70 . . A 1 -5.191 67.281 68.101 1 14.54 ? O TYR 70 A 1 +ATOM 504 C CB TYR 70 . . A 1 -5.84 64.438 68.969 1 12.17 ? CB TYR 70 A 1 +ATOM 505 C CG TYR 70 . . A 1 -5.233 64.737 70.316 1 23.88 ? CG TYR 70 A 1 +ATOM 506 C CD1 TYR 70 . . A 1 -5.991 64.599 71.488 1 25.6 ? CD1 TYR 70 A 1 +ATOM 507 C CD2 TYR 70 . . A 1 -3.895 65.176 70.399 1 30.1 ? CD2 TYR 70 A 1 +ATOM 508 C CE1 TYR 70 . . A 1 -5.41 64.871 72.737 1 33.68 ? CE1 TYR 70 A 1 +ATOM 509 C CE2 TYR 70 . . A 1 -3.309 65.448 71.647 1 34.94 ? CE2 TYR 70 A 1 +ATOM 510 C CZ TYR 70 . . A 1 -4.068 65.298 72.822 1 37.28 ? CZ TYR 70 A 1 +ATOM 511 O OH TYR 70 . . A 1 -3.512 65.59 74.064 1 42.92 ? OH TYR 70 A 1 +ATOM 512 N N VAL 71 . . A 1 -6.861 67.738 69.544 1 15.09 ? N VAL 71 A 1 +ATOM 513 C CA VAL 71 . . A 1 -6.376 69.079 69.781 1 17.72 ? CA VAL 71 A 1 +ATOM 514 C C VAL 71 . . A 1 -5.276 68.956 70.821 1 20.76 ? C VAL 71 A 1 +ATOM 515 O O VAL 71 . . A 1 -5.424 68.232 71.802 1 23.36 ? O VAL 71 A 1 +ATOM 516 C CB VAL 71 . . A 1 -7.523 69.971 70.266 1 13.32 ? CB VAL 71 A 1 +ATOM 517 C CG1 VAL 71 . . A 1 -7.165 71.45 70.135 1 14.34 ? CG1 VAL 71 A 1 +ATOM 518 C CG2 VAL 71 . . A 1 -8.824 69.702 69.504 1 20.84 ? CG2 VAL 71 A 1 +ATOM 519 N N ASP 72 . . A 1 -4.183 69.698 70.626 1 20.45 ? N ASP 72 A 1 +ATOM 520 C CA ASP 72 . . A 1 -3.127 69.544 71.594 1 21.84 ? CA ASP 72 A 1 +ATOM 521 C C ASP 72 . . A 1 -3.302 70.556 72.658 1 26.3 ? C ASP 72 A 1 +ATOM 522 O O ASP 72 . . A 1 -3.206 71.743 72.396 1 30.97 ? O ASP 72 A 1 +ATOM 523 C CB ASP 72 . . A 1 -1.754 69.806 70.955 1 20.11 ? CB ASP 72 A 1 +ATOM 524 C CG ASP 72 . . A 1 -0.569 69.712 71.938 1 16.69 ? CG ASP 72 A 1 +ATOM 525 O OD1 ASP 72 . . A 1 -0.73 69.182 73.035 1 14.3 ? OD1 ASP 72 A 1 +ATOM 526 O OD2 ASP 72 . . A 1 0.509 70.179 71.599 1 15.91 ? OD2 ASP 72 A 1 +ATOM 527 N N GLU 73 . . A 1 -3.506 70.103 73.893 1 26.74 ? N GLU 73 A 1 +ATOM 528 C CA GLU 73 . . A 1 -3.64 71.101 74.945 1 27.99 ? CA GLU 73 A 1 +ATOM 529 C C GLU 73 . . A 1 -2.727 70.78 76.094 1 27.05 ? C GLU 73 A 1 +ATOM 530 O O GLU 73 . . A 1 -3.059 70.917 77.258 1 29.33 ? O GLU 73 A 1 +ATOM 531 C CB GLU 73 . . A 1 -5.101 71.421 75.302 1 27.16 ? CB GLU 73 A 1 +ATOM 532 C CG GLU 73 . . A 1 -5.977 70.214 75.663 1 24.07 ? CG GLU 73 A 1 +ATOM 533 C CD GLU 73 . . A 1 -7.451 70.568 75.563 1 25.62 ? CD GLU 73 A 1 +ATOM 534 O OE1 GLU 73 . . A 1 -7.784 71.736 75.339 1 26.72 ? OE1 GLU 73 A 1 +ATOM 535 O OE2 GLU 73 . . A 1 -8.264 69.66 75.686 1 28.37 ? OE2 GLU 73 A 1 +ATOM 536 N N GLN 74 . . A 1 -1.517 70.335 75.725 1 24.18 ? N GLN 74 A 1 +ATOM 537 C CA GLN 74 . . A 1 -0.546 70.019 76.766 1 19.75 ? CA GLN 74 A 1 +ATOM 538 C C GLN 74 . . A 1 0.044 71.294 77.338 1 19.07 ? C GLN 74 A 1 +ATOM 539 O O GLN 74 . . A 1 0.621 71.275 78.414 1 27.55 ? O GLN 74 A 1 +ATOM 540 C CB GLN 74 . . A 1 0.568 69.058 76.295 1 17.91 ? CB GLN 74 A 1 +ATOM 541 C CG GLN 74 . . A 1 1.124 68.127 77.404 1 15.27 ? CG GLN 74 A 1 +ATOM 542 C CD GLN 74 . . A 1 1.981 68.819 78.458 1 19.09 ? CD GLN 74 A 1 +ATOM 543 N N PHE 75 . . A 1 -0.054 72.391 76.599 1 16.81 ? N PHE 75 A 1 +ATOM 544 C CA PHE 75 . . A 1 0.473 73.652 77.11 1 14.63 ? CA PHE 75 A 1 +ATOM 545 C C PHE 75 . . A 1 -0.519 74.701 76.67 1 15.75 ? C PHE 75 A 1 +ATOM 546 O O PHE 75 . . A 1 -0.237 75.476 75.759 1 12.66 ? O PHE 75 A 1 +ATOM 547 C CB PHE 75 . . A 1 1.868 73.986 76.534 1 15.63 ? CB PHE 75 A 1 +ATOM 548 C CG PHE 75 . . A 1 2.928 72.957 76.865 1 18.37 ? CG PHE 75 A 1 +ATOM 549 C CD1 PHE 75 . . A 1 3.598 72.994 78.1 1 20.71 ? CD1 PHE 75 A 1 +ATOM 550 C CD2 PHE 75 . . A 1 3.258 71.951 75.946 1 18.7 ? CD2 PHE 75 A 1 +ATOM 551 C CE1 PHE 75 . . A 1 4.584 72.045 78.399 1 19.08 ? CE1 PHE 75 A 1 +ATOM 552 C CE2 PHE 75 . . A 1 4.235 70.996 76.251 1 18.19 ? CE2 PHE 75 A 1 +ATOM 553 C CZ PHE 75 . . A 1 4.903 71.041 77.477 1 17.69 ? CZ PHE 75 A 1 +ATOM 554 N N PRO 76 . . A 1 -1.744 74.678 77.265 1 16.59 ? N PRO 76 A 1 +ATOM 555 C CA PRO 76 . . A 1 -2.817 75.523 76.755 1 14.83 ? CA PRO 76 A 1 +ATOM 556 C C PRO 76 . . A 1 -2.395 76.96 76.723 1 13.89 ? C PRO 76 A 1 +ATOM 557 O O PRO 76 . . A 1 -1.759 77.441 77.645 1 13.58 ? O PRO 76 A 1 +ATOM 558 C CB PRO 76 . . A 1 -3.987 75.306 77.719 1 8.91 ? CB PRO 76 A 1 +ATOM 559 C CG PRO 76 . . A 1 -3.7 73.971 78.406 1 14.56 ? CG PRO 76 A 1 +ATOM 560 C CD PRO 76 . . A 1 -2.166 73.842 78.392 1 16.53 ? CD PRO 76 A 1 +ATOM 561 N N GLY 77 . . A 1 -2.741 77.619 75.619 1 15.94 ? N GLY 77 A 1 +ATOM 562 C CA GLY 77 . . A 1 -2.389 79.024 75.478 1 19.13 ? CA GLY 77 A 1 +ATOM 563 C C GLY 77 . . A 1 -0.983 79.255 74.957 1 20.3 ? C GLY 77 A 1 +ATOM 564 O O GLY 77 . . A 1 -0.685 80.291 74.364 1 21.3 ? O GLY 77 A 1 +ATOM 565 N N PHE 78 . . A 1 -0.109 78.252 75.139 1 15.84 ? N PHE 78 A 1 +ATOM 566 C CA PHE 78 . . A 1 1.246 78.45 74.67 1 12.27 ? CA PHE 78 A 1 +ATOM 567 C C PHE 78 . . A 1 1.308 78.493 73.158 1 14.11 ? C PHE 78 A 1 +ATOM 568 O O PHE 78 . . A 1 0.957 77.528 72.493 1 13.8 ? O PHE 78 A 1 +ATOM 569 C CB PHE 78 . . A 1 2.119 77.307 75.17 1 5.3 ? CB PHE 78 A 1 +ATOM 570 C CG PHE 78 . . A 1 3.577 77.446 74.816 1 2 ? CG PHE 78 A 1 +ATOM 571 C CD1 PHE 78 . . A 1 4.231 78.684 74.89 1 2 ? CD1 PHE 78 A 1 +ATOM 572 C CD2 PHE 78 . . A 1 4.3 76.31 74.427 1 4.23 ? CD2 PHE 78 A 1 +ATOM 573 C CE1 PHE 78 . . A 1 5.597 78.78 74.589 1 4.27 ? CE1 PHE 78 A 1 +ATOM 574 C CE2 PHE 78 . . A 1 5.664 76.406 74.135 1 2 ? CE2 PHE 78 A 1 +ATOM 575 C CZ PHE 78 . . A 1 6.313 77.638 74.221 1 3.02 ? CZ PHE 78 A 1 +ATOM 576 N N SER 79 . . A 1 1.815 79.598 72.611 1 14.75 ? N SER 79 A 1 +ATOM 577 C CA SER 79 . . A 1 1.897 79.7 71.151 1 15.44 ? CA SER 79 A 1 +ATOM 578 C C SER 79 . . A 1 2.697 78.584 70.502 1 14.29 ? C SER 79 A 1 +ATOM 579 O O SER 79 . . A 1 2.311 78.023 69.49 1 16.49 ? O SER 79 A 1 +ATOM 580 C CB SER 79 . . A 1 2.481 81.045 70.71 1 15.68 ? CB SER 79 A 1 +ATOM 581 O OG SER 79 . . A 1 3.691 81.268 71.437 1 27.82 ? OG SER 79 A 1 +ATOM 582 N N GLY 80 . . A 1 3.81 78.235 71.123 1 11.96 ? N GLY 80 A 1 +ATOM 583 C CA GLY 80 . . A 1 4.616 77.182 70.527 1 13.22 ? CA GLY 80 A 1 +ATOM 584 C C GLY 80 . . A 1 3.864 75.898 70.204 1 11.3 ? C GLY 80 A 1 +ATOM 585 O O GLY 80 . . A 1 4.277 75.133 69.351 1 10.75 ? O GLY 80 A 1 +ATOM 586 N N SER 81 . . A 1 2.763 75.636 70.908 1 13.86 ? N SER 81 A 1 +ATOM 587 C CA SER 81 . . A 1 2.028 74.419 70.622 1 18.66 ? CA SER 81 A 1 +ATOM 588 C C SER 81 . . A 1 0.785 74.773 69.848 1 19.99 ? C SER 81 A 1 +ATOM 589 O O SER 81 . . A 1 0.384 74.134 68.881 1 22.67 ? O SER 81 A 1 +ATOM 590 C CB SER 81 . . A 1 1.723 73.612 71.906 1 18.45 ? CB SER 81 A 1 +ATOM 591 O OG SER 81 . . A 1 0.831 74.263 72.818 1 22.06 ? OG SER 81 A 1 +ATOM 592 N N GLU 82 . . A 1 0.18 75.859 70.287 1 22.4 ? N GLU 82 A 1 +ATOM 593 C CA GLU 82 . . A 1 -1.04 76.335 69.685 1 25.67 ? CA GLU 82 A 1 +ATOM 594 C C GLU 82 . . A 1 -0.906 76.617 68.2 1 23.3 ? C GLU 82 A 1 +ATOM 595 O O GLU 82 . . A 1 -1.831 76.37 67.44 1 27.14 ? O GLU 82 A 1 +ATOM 596 C CB GLU 82 . . A 1 -1.532 77.605 70.422 1 32.47 ? CB GLU 82 A 1 +ATOM 597 C CG GLU 82 . . A 1 -1.881 77.416 71.915 1 36.84 ? CG GLU 82 A 1 +ATOM 598 C CD GLU 82 . . A 1 -3.27 76.83 72.117 1 43.72 ? CD GLU 82 A 1 +ATOM 599 O OE1 GLU 82 . . A 1 -3.543 75.763 71.555 1 46.39 ? OE1 GLU 82 A 1 +ATOM 600 O OE2 GLU 82 . . A 1 -4.068 77.443 72.835 1 46.73 ? OE2 GLU 82 A 1 +ATOM 601 N N MET 83 . . A 1 0.248 77.12 67.78 1 18.06 ? N MET 83 A 1 +ATOM 602 C CA MET 83 . . A 1 0.401 77.412 66.36 1 17.25 ? CA MET 83 A 1 +ATOM 603 C C MET 83 . . A 1 0.068 76.234 65.434 1 17.9 ? C MET 83 A 1 +ATOM 604 O O MET 83 . . A 1 -0.217 76.428 64.259 1 21.67 ? O MET 83 A 1 +ATOM 605 C CB MET 83 . . A 1 1.822 77.934 66.058 1 15.6 ? CB MET 83 A 1 +ATOM 606 C CG MET 83 . . A 1 2.927 76.975 66.505 1 19.41 ? CG MET 83 A 1 +ATOM 607 S SD MET 83 . . A 1 4.383 77.143 65.446 1 28.06 ? SD MET 83 A 1 +ATOM 608 C CE MET 83 . . A 1 5.245 78.487 66.29 1 35.21 ? CE MET 83 A 1 +ATOM 609 N N TRP 84 . . A 1 0.122 75.015 65.987 1 13.03 ? N TRP 84 A 1 +ATOM 610 C CA TRP 84 . . A 1 -0.154 73.823 65.211 1 10.68 ? CA TRP 84 A 1 +ATOM 611 C C TRP 84 . . A 1 -1.55 73.249 65.396 1 11.34 ? C TRP 84 A 1 +ATOM 612 O O TRP 84 . . A 1 -1.813 72.168 64.877 1 14.46 ? O TRP 84 A 1 +ATOM 613 C CB TRP 84 . . A 1 0.789 72.67 65.625 1 11.48 ? CB TRP 84 A 1 +ATOM 614 C CG TRP 84 . . A 1 2.245 73.044 65.576 1 11.73 ? CG TRP 84 A 1 +ATOM 615 C CD1 TRP 84 . . A 1 3.028 73.442 66.672 1 10.38 ? CD1 TRP 84 A 1 +ATOM 616 C CD2 TRP 84 . . A 1 3.062 73.098 64.437 1 12.68 ? CD2 TRP 84 A 1 +ATOM 617 N NE1 TRP 84 . . A 1 4.277 73.747 66.266 1 9.3 ? NE1 TRP 84 A 1 +ATOM 618 C CE2 TRP 84 . . A 1 4.378 73.566 64.911 1 12.27 ? CE2 TRP 84 A 1 +ATOM 619 C CE3 TRP 84 . . A 1 2.858 72.867 63.071 1 14.19 ? CE3 TRP 84 A 1 +ATOM 620 C CZ2 TRP 84 . . A 1 5.406 73.766 63.977 1 13.17 ? CZ2 TRP 84 A 1 +ATOM 621 C CZ3 TRP 84 . . A 1 3.909 73.089 62.167 1 12.49 ? CZ3 TRP 84 A 1 +ATOM 622 C CH2 TRP 84 . . A 1 5.167 73.528 62.615 1 12.78 ? CH2 TRP 84 A 1 +ATOM 623 N N ASN 85 . . A 1 -2.439 73.908 66.131 1 11.34 ? N ASN 85 A 1 +ATOM 624 C CA ASN 85 . . A 1 -3.767 73.296 66.338 1 14.49 ? CA ASN 85 A 1 +ATOM 625 C C ASN 85 . . A 1 -4.784 73.834 65.359 1 15.95 ? C ASN 85 A 1 +ATOM 626 O O ASN 85 . . A 1 -4.643 74.972 64.916 1 19.96 ? O ASN 85 A 1 +ATOM 627 C CB ASN 85 . . A 1 -4.309 73.642 67.73 1 19.34 ? CB ASN 85 A 1 +ATOM 628 C CG ASN 85 . . A 1 -3.765 72.718 68.778 1 22.6 ? CG ASN 85 A 1 +ATOM 629 O OD1 ASN 85 . . A 1 -2.968 71.846 68.502 1 26.16 ? OD1 ASN 85 A 1 +ATOM 630 N ND2 ASN 85 . . A 1 -4.202 72.907 70.003 1 26.67 ? ND2 ASN 85 A 1 +ATOM 631 N N PRO 86 . . A 1 -5.85 73.044 65.055 1 10.84 ? N PRO 86 A 1 +ATOM 632 C CA PRO 86 . . A 1 -6.83 73.496 64.089 1 12.43 ? CA PRO 86 A 1 +ATOM 633 C C PRO 86 . . A 1 -7.317 74.875 64.47 1 14.14 ? C PRO 86 A 1 +ATOM 634 O O PRO 86 . . A 1 -7.778 75.053 65.585 1 23.78 ? O PRO 86 A 1 +ATOM 635 C CB PRO 86 . . A 1 -7.953 72.437 64.107 1 8.3 ? CB PRO 86 A 1 +ATOM 636 C CG PRO 86 . . A 1 -7.633 71.487 65.26 1 7.62 ? CG PRO 86 A 1 +ATOM 637 C CD PRO 86 . . A 1 -6.166 71.751 65.639 1 12.16 ? CD PRO 86 A 1 +ATOM 638 N N ASN 87 . . A 1 -7.184 75.827 63.546 1 13.45 ? N ASN 87 A 1 +ATOM 639 C CA ASN 87 . . A 1 -7.612 77.184 63.822 1 11.93 ? CA ASN 87 A 1 +ATOM 640 C C ASN 87 . . A 1 -8.935 77.473 63.171 1 14.55 ? C ASN 87 A 1 +ATOM 641 O O ASN 87 . . A 1 -9.237 78.627 62.907 1 18.89 ? O ASN 87 A 1 +ATOM 642 C CB ASN 87 . . A 1 -6.571 78.188 63.3 1 14.24 ? CB ASN 87 A 1 +ATOM 643 C CG ASN 87 . . A 1 -6.456 78.117 61.801 1 16.61 ? CG ASN 87 A 1 +ATOM 644 O OD1 ASN 87 . . A 1 -6.933 77.187 61.179 1 21.68 ? OD1 ASN 87 A 1 +ATOM 645 N ND2 ASN 87 . . A 1 -5.786 79.091 61.213 1 23.1 ? ND2 ASN 87 A 1 +ATOM 646 N N ARG 88 . . A 1 -9.727 76.438 62.877 1 17.04 ? N ARG 88 A 1 +ATOM 647 C CA ARG 88 . . A 1 -11.026 76.615 62.228 1 16.41 ? CA ARG 88 A 1 +ATOM 648 C C ARG 88 . . A 1 -11.9 75.523 62.793 1 15.6 ? C ARG 88 A 1 +ATOM 649 O O ARG 88 . . A 1 -11.425 74.616 63.461 1 19.57 ? O ARG 88 A 1 +ATOM 650 C CB ARG 88 . . A 1 -10.897 76.429 60.692 1 18.43 ? CB ARG 88 A 1 +ATOM 651 C CG ARG 88 . . A 1 -10.398 77.678 59.953 1 18.59 ? CG ARG 88 A 1 +ATOM 652 C CD ARG 88 . . A 1 -11.553 78.663 59.658 1 25.23 ? CD ARG 88 A 1 +ATOM 653 N NE ARG 88 . . A 1 -11.109 79.955 59.127 1 30.01 ? NE ARG 88 A 1 +ATOM 654 C CZ ARG 88 . . A 1 -10.173 80.693 59.756 1 28.05 ? CZ ARG 88 A 1 +ATOM 655 N N GLU 89 . . A 1 -13.204 75.606 62.516 1 14.4 ? N GLU 89 A 1 +ATOM 656 C CA GLU 89 . . A 1 -14.088 74.573 63.058 1 14.71 ? CA GLU 89 A 1 +ATOM 657 C C GLU 89 . . A 1 -13.716 73.272 62.445 1 12.51 ? C GLU 89 A 1 +ATOM 658 O O GLU 89 . . A 1 -13.467 73.181 61.256 1 15.65 ? O GLU 89 A 1 +ATOM 659 C CB GLU 89 . . A 1 -15.585 74.844 62.744 1 19.87 ? CB GLU 89 A 1 +ATOM 660 C CG GLU 89 . . A 1 -16.649 73.877 63.346 1 26.55 ? CG GLU 89 A 1 +ATOM 661 N N MET 90 . . A 1 -13.654 72.264 63.28 1 12.4 ? N MET 90 A 1 +ATOM 662 C CA MET 90 . . A 1 -13.329 70.979 62.735 1 12.4 ? CA MET 90 A 1 +ATOM 663 C C MET 90 . . A 1 -14.657 70.444 62.245 1 13.29 ? C MET 90 A 1 +ATOM 664 O O MET 90 . . A 1 -15.685 70.875 62.764 1 11.14 ? O MET 90 A 1 +ATOM 665 C CB MET 90 . . A 1 -12.753 70.062 63.817 1 13.61 ? CB MET 90 A 1 +ATOM 666 C CG MET 90 . . A 1 -11.597 70.693 64.597 1 13.67 ? CG MET 90 A 1 +ATOM 667 S SD MET 90 . . A 1 -10.606 69.351 65.317 1 19.43 ? SD MET 90 A 1 +ATOM 668 C CE MET 90 . . A 1 -11.676 68.792 66.655 1 20.51 ? CE MET 90 A 1 +ATOM 669 N N SER 91 . . A 1 -14.617 69.531 61.273 1 13.06 ? N SER 91 A 1 +ATOM 670 C CA SER 91 . . A 1 -15.811 68.921 60.732 1 14.99 ? CA SER 91 A 1 +ATOM 671 C C SER 91 . . A 1 -15.326 67.704 59.97 1 15.19 ? C SER 91 A 1 +ATOM 672 O O SER 91 . . A 1 -14.161 67.604 59.592 1 14.69 ? O SER 91 A 1 +ATOM 673 C CB SER 91 . . A 1 -16.52 69.899 59.763 1 18.9 ? CB SER 91 A 1 +ATOM 674 O OG SER 91 . . A 1 -17.801 69.436 59.296 1 25.45 ? OG SER 91 A 1 +ATOM 675 N N GLU 92 . . A 1 -16.25 66.746 59.745 1 13.93 ? N GLU 92 A 1 +ATOM 676 C CA GLU 92 . . A 1 -15.851 65.579 58.959 1 13.9 ? CA GLU 92 A 1 +ATOM 677 C C GLU 92 . . A 1 -15.772 66.009 57.501 1 18.57 ? C GLU 92 A 1 +ATOM 678 O O GLU 92 . . A 1 -15.003 65.503 56.698 1 20.05 ? O GLU 92 A 1 +ATOM 679 C CB GLU 92 . . A 1 -16.781 64.389 59.12 1 10.43 ? CB GLU 92 A 1 +ATOM 680 C CG GLU 92 . . A 1 -16.496 63.628 60.415 1 12.39 ? CG GLU 92 A 1 +ATOM 681 C CD GLU 92 . . A 1 -17.146 62.256 60.346 1 13.13 ? CD GLU 92 A 1 +ATOM 682 O OE1 GLU 92 . . A 1 -18.335 62.159 60.636 1 10.48 ? OE1 GLU 92 A 1 +ATOM 683 O OE2 GLU 92 . . A 1 -16.46 61.294 59.986 1 16.23 ? OE2 GLU 92 A 1 +ATOM 684 N N ASP 93 . . A 1 -16.625 66.984 57.189 1 17.71 ? N ASP 93 A 1 +ATOM 685 C CA ASP 93 . . A 1 -16.665 67.591 55.878 1 17.64 ? CA ASP 93 A 1 +ATOM 686 C C ASP 93 . . A 1 -15.462 68.539 55.844 1 19.89 ? C ASP 93 A 1 +ATOM 687 O O ASP 93 . . A 1 -15.565 69.715 56.197 1 20.41 ? O ASP 93 A 1 +ATOM 688 C CB ASP 93 . . A 1 -17.978 68.384 55.757 1 17.65 ? CB ASP 93 A 1 +ATOM 689 C CG ASP 93 . . A 1 -18.136 69.104 54.433 1 23.35 ? CG ASP 93 A 1 +ATOM 690 O OD1 ASP 93 . . A 1 -17.123 69.476 53.846 1 22 ? OD1 ASP 93 A 1 +ATOM 691 O OD2 ASP 93 . . A 1 -19.273 69.294 53.993 1 26.9 ? OD2 ASP 93 A 1 +ATOM 692 N N CYS 94 . . A 1 -14.311 68.01 55.427 1 18.5 ? N CYS 94 A 1 +ATOM 693 C CA CYS 94 . . A 1 -13.14 68.872 55.416 1 18.58 ? CA CYS 94 A 1 +ATOM 694 C C CYS 94 . . A 1 -12.241 68.687 54.217 1 20.84 ? C CYS 94 A 1 +ATOM 695 O O CYS 94 . . A 1 -11.129 69.207 54.206 1 24.77 ? O CYS 94 A 1 +ATOM 696 C CB CYS 94 . . A 1 -12.313 68.57 56.663 1 15.68 ? CB CYS 94 A 1 +ATOM 697 S SG CYS 94 . . A 1 -11.885 66.805 56.66 1 8.01 ? SG CYS 94 A 1 +ATOM 698 N N LEU 95 . . A 1 -12.699 67.928 53.211 1 17.6 ? N LEU 95 A 1 +ATOM 699 C CA LEU 95 . . A 1 -11.859 67.746 52.024 1 15.22 ? CA LEU 95 A 1 +ATOM 700 C C LEU 95 . . A 1 -12.026 68.932 51.043 1 13.32 ? C LEU 95 A 1 +ATOM 701 O O LEU 95 . . A 1 -12.969 68.98 50.253 1 14.93 ? O LEU 95 A 1 +ATOM 702 C CB LEU 95 . . A 1 -12.223 66.423 51.337 1 11.27 ? CB LEU 95 A 1 +ATOM 703 C CG LEU 95 . . A 1 -11.924 65.184 52.183 1 9.22 ? CG LEU 95 A 1 +ATOM 704 C CD1 LEU 95 . . A 1 -12.398 63.918 51.459 1 12.24 ? CD1 LEU 95 A 1 +ATOM 705 C CD2 LEU 95 . . A 1 -10.42 65.086 52.473 1 9.44 ? CD2 LEU 95 A 1 +ATOM 706 N N TYR 96 . . A 1 -11.101 69.895 51.13 1 9.45 ? N TYR 96 A 1 +ATOM 707 C CA TYR 96 . . A 1 -11.074 71.093 50.284 1 10.39 ? CA TYR 96 A 1 +ATOM 708 C C TYR 96 . . A 1 -9.627 71.405 50.015 1 9.24 ? C TYR 96 A 1 +ATOM 709 O O TYR 96 . . A 1 -8.755 70.757 50.572 1 11.56 ? O TYR 96 A 1 +ATOM 710 C CB TYR 96 . . A 1 -11.648 72.315 51.011 1 6.27 ? CB TYR 96 A 1 +ATOM 711 C CG TYR 96 . . A 1 -13.088 72.116 51.361 1 12.78 ? CG TYR 96 A 1 +ATOM 712 C CD1 TYR 96 . . A 1 -13.465 71.437 52.529 1 17.73 ? CD1 TYR 96 A 1 +ATOM 713 C CD2 TYR 96 . . A 1 -14.069 72.62 50.511 1 17.02 ? CD2 TYR 96 A 1 +ATOM 714 C CE1 TYR 96 . . A 1 -14.825 71.256 52.837 1 24.42 ? CE1 TYR 96 A 1 +ATOM 715 C CE2 TYR 96 . . A 1 -15.421 72.46 50.809 1 23.71 ? CE2 TYR 96 A 1 +ATOM 716 C CZ TYR 96 . . A 1 -15.807 71.768 51.968 1 25.91 ? CZ TYR 96 A 1 +ATOM 717 O OH TYR 96 . . A 1 -17.15 71.591 52.241 1 30.42 ? OH TYR 96 A 1 +ATOM 718 N N LEU 97 . . A 1 -9.366 72.384 49.156 1 7.65 ? N LEU 97 A 1 +ATOM 719 C CA LEU 97 . . A 1 -7.987 72.753 48.892 1 7.91 ? CA LEU 97 A 1 +ATOM 720 C C LEU 97 . . A 1 -7.95 74.249 48.762 1 9.01 ? C LEU 97 A 1 +ATOM 721 O O LEU 97 . . A 1 -8.992 74.87 48.596 1 10.81 ? O LEU 97 A 1 +ATOM 722 C CB LEU 97 . . A 1 -7.373 71.963 47.728 1 9.23 ? CB LEU 97 A 1 +ATOM 723 C CG LEU 97 . . A 1 -8.126 71.943 46.392 1 6.13 ? CG LEU 97 A 1 +ATOM 724 C CD1 LEU 97 . . A 1 -8.029 73.281 45.657 1 8.91 ? CD1 LEU 97 A 1 +ATOM 725 C CD2 LEU 97 . . A 1 -7.571 70.818 45.512 1 3.47 ? CD2 LEU 97 A 1 +ATOM 726 N N ASN 98 . . A 1 -6.752 74.834 48.859 1 11.33 ? N ASN 98 A 1 +ATOM 727 C CA ASN 98 . . A 1 -6.601 76.3 48.768 1 13.7 ? CA ASN 98 A 1 +ATOM 728 C C ASN 98 . . A 1 -5.518 76.564 47.749 1 16.15 ? C ASN 98 A 1 +ATOM 729 O O ASN 98 . . A 1 -4.615 75.746 47.647 1 20.18 ? O ASN 98 A 1 +ATOM 730 C CB ASN 98 . . A 1 -6.149 76.913 50.122 1 17.58 ? CB ASN 98 A 1 +ATOM 731 C CG ASN 98 . . A 1 -6.964 76.389 51.307 1 18.01 ? CG ASN 98 A 1 +ATOM 732 O OD1 ASN 98 . . A 1 -8.144 76.679 51.485 1 12.42 ? OD1 ASN 98 A 1 +ATOM 733 N ND2 ASN 98 . . A 1 -6.307 75.544 52.103 1 16.23 ? ND2 ASN 98 A 1 +ATOM 734 N N ILE 99 . . A 1 -5.592 77.688 47.031 1 18.79 ? N ILE 99 A 1 +ATOM 735 C CA ILE 99 . . A 1 -4.629 78.04 45.997 1 15.69 ? CA ILE 99 A 1 +ATOM 736 C C ILE 99 . . A 1 -4.294 79.528 46.085 1 12.75 ? C ILE 99 A 1 +ATOM 737 O O ILE 99 . . A 1 -5.196 80.364 46.115 1 12.25 ? O ILE 99 A 1 +ATOM 738 C CB ILE 99 . . A 1 -5.339 77.82 44.625 1 21.08 ? CB ILE 99 A 1 +ATOM 739 C CG1 ILE 99 . . A 1 -6.118 76.476 44.526 1 22.08 ? CG1 ILE 99 A 1 +ATOM 740 C CG2 ILE 99 . . A 1 -4.408 78.076 43.422 1 20.15 ? CG2 ILE 99 A 1 +ATOM 741 C CD1 ILE 99 . . A 1 -6.87 76.28 43.201 1 26.01 ? CD1 ILE 99 A 1 +ATOM 742 N N TRP 100 . . A 1 -3.013 79.861 46.12 1 10.55 ? N TRP 100 A 1 +ATOM 743 C CA TRP 100 . . A 1 -2.637 81.271 46.144 1 17.45 ? CA TRP 100 A 1 +ATOM 744 C C TRP 100 . . A 1 -2.096 81.427 44.763 1 23.25 ? C TRP 100 A 1 +ATOM 745 O O TRP 100 . . A 1 -1.264 80.608 44.366 1 28.28 ? O TRP 100 A 1 +ATOM 746 C CB TRP 100 . . A 1 -1.524 81.61 47.157 1 18.88 ? CB TRP 100 A 1 +ATOM 747 C CG TRP 100 . . A 1 -2.133 81.683 48.538 1 18.39 ? CG TRP 100 A 1 +ATOM 748 C CD1 TRP 100 . . A 1 -2.729 82.828 49.114 1 18.87 ? CD1 TRP 100 A 1 +ATOM 749 C CD2 TRP 100 . . A 1 -2.332 80.619 49.423 1 16.27 ? CD2 TRP 100 A 1 +ATOM 750 N NE1 TRP 100 . . A 1 -3.304 82.509 50.294 1 20.89 ? NE1 TRP 100 A 1 +ATOM 751 C CE2 TRP 100 . . A 1 -3.111 81.179 50.541 1 14.55 ? CE2 TRP 100 A 1 +ATOM 752 C CE3 TRP 100 . . A 1 -2.01 79.26 49.404 1 17 ? CE3 TRP 100 A 1 +ATOM 753 C CZ2 TRP 100 . . A 1 -3.551 80.332 51.55 1 15.08 ? CZ2 TRP 100 A 1 +ATOM 754 C CZ3 TRP 100 . . A 1 -2.458 78.443 50.445 1 16.68 ? CZ3 TRP 100 A 1 +ATOM 755 C CH2 TRP 100 . . A 1 -3.225 78.966 51.5 1 20.05 ? CH2 TRP 100 A 1 +ATOM 756 N N VAL 101 . . A 1 -2.574 82.443 44.034 1 25.62 ? N VAL 101 A 1 +ATOM 757 C CA VAL 101 . . A 1 -2.14 82.667 42.646 1 23.97 ? CA VAL 101 A 1 +ATOM 758 C C VAL 101 . . A 1 -1.583 84.09 42.563 1 24.09 ? C VAL 101 A 1 +ATOM 759 O O VAL 101 . . A 1 -2.116 84.979 43.228 1 26.95 ? O VAL 101 A 1 +ATOM 760 C CB VAL 101 . . A 1 -3.342 82.445 41.686 1 21.2 ? CB VAL 101 A 1 +ATOM 761 C CG1 VAL 101 . . A 1 -2.914 82.45 40.222 1 22.08 ? CG1 VAL 101 A 1 +ATOM 762 C CG2 VAL 101 . . A 1 -4.116 81.135 41.97 1 21.41 ? CG2 VAL 101 A 1 +ATOM 763 N N PRO 102 . . A 1 -0.491 84.299 41.786 1 21.15 ? N PRO 102 A 1 +ATOM 764 C CA PRO 102 . . A 1 -0.021 85.659 41.549 1 21.79 ? CA PRO 102 A 1 +ATOM 765 C C PRO 102 . . A 1 -1.007 86.572 40.836 1 27.45 ? C PRO 102 A 1 +ATOM 766 O O PRO 102 . . A 1 -2.032 86.168 40.293 1 29.87 ? O PRO 102 A 1 +ATOM 767 C CB PRO 102 . . A 1 1.267 85.476 40.748 1 18.71 ? CB PRO 102 A 1 +ATOM 768 C CG PRO 102 . . A 1 1.739 84.039 41.042 1 19.23 ? CG PRO 102 A 1 +ATOM 769 C CD PRO 102 . . A 1 0.455 83.261 41.369 1 21.1 ? CD PRO 102 A 1 +ATOM 770 N N SER 103 . . A 1 -0.639 87.853 40.861 1 31.89 ? N SER 103 A 1 +ATOM 771 C CA SER 103 . . A 1 -1.418 88.895 40.214 1 36.65 ? CA SER 103 A 1 +ATOM 772 C C SER 103 . . A 1 -0.335 89.673 39.495 1 40.27 ? C SER 103 A 1 +ATOM 773 O O SER 103 . . A 1 0.624 90.067 40.149 1 45.43 ? O SER 103 A 1 +ATOM 774 C CB SER 103 . . A 1 -2.139 89.825 41.201 1 33.6 ? CB SER 103 A 1 +ATOM 775 O OG SER 103 . . A 1 -2.995 90.716 40.485 1 36.95 ? OG SER 103 A 1 +ATOM 776 N N PRO 104 . . A 1 -0.464 89.891 38.178 1 39.36 ? N PRO 104 A 1 +ATOM 777 C CA PRO 104 . . A 1 -1.536 89.364 37.338 1 34.51 ? CA PRO 104 A 1 +ATOM 778 C C PRO 104 . . A 1 -1.392 87.856 37.227 1 29.79 ? C PRO 104 A 1 +ATOM 779 O O PRO 104 . . A 1 -0.305 87.316 37.385 1 27.4 ? O PRO 104 A 1 +ATOM 780 C CB PRO 104 . . A 1 -1.295 90.051 35.988 1 39.4 ? CB PRO 104 A 1 +ATOM 781 C CG PRO 104 . . A 1 0.176 90.518 35.995 1 40.72 ? CG PRO 104 A 1 +ATOM 782 C CD PRO 104 . . A 1 0.561 90.646 37.471 1 40.1 ? CD PRO 104 A 1 +ATOM 783 N N ARG 105 . . A 1 -2.532 87.204 36.976 1 25.21 ? N ARG 105 A 1 +ATOM 784 C CA ARG 105 . . A 1 -2.52 85.753 36.84 1 25.56 ? CA ARG 105 A 1 +ATOM 785 C C ARG 105 . . A 1 -1.487 85.352 35.791 1 28.23 ? C ARG 105 A 1 +ATOM 786 O O ARG 105 . . A 1 -1.502 85.94 34.72 1 31.77 ? O ARG 105 A 1 +ATOM 787 C CB ARG 105 . . A 1 -3.902 85.296 36.371 1 23.36 ? CB ARG 105 A 1 +ATOM 788 C CG ARG 105 . . A 1 -4.102 83.777 36.413 1 25.28 ? CG ARG 105 A 1 +ATOM 789 C CD ARG 105 . . A 1 -5.452 83.331 35.826 1 33.93 ? CD ARG 105 A 1 +ATOM 790 N NE ARG 105 . . A 1 -6.571 84.129 36.333 1 38.86 ? NE ARG 105 A 1 +ATOM 791 C CZ ARG 105 . . A 1 -7.844 83.856 35.996 1 40.85 ? CZ ARG 105 A 1 +ATOM 792 N NH1 ARG 105 . . A 1 -8.146 82.852 35.176 1 45.02 ? NH1 ARG 105 A 1 +ATOM 793 N NH2 ARG 105 . . A 1 -8.831 84.6 36.485 1 41.71 ? NH2 ARG 105 A 1 +ATOM 794 N N PRO 106 . . A 1 -0.605 84.386 36.088 1 30.08 ? N PRO 106 A 1 +ATOM 795 C CA PRO 106 . . A 1 0.352 83.921 35.084 1 30.73 ? CA PRO 106 A 1 +ATOM 796 C C PRO 106 . . A 1 -0.389 83.037 34.076 1 32.25 ? C PRO 106 A 1 +ATOM 797 O O PRO 106 . . A 1 -1.511 82.591 34.312 1 32.38 ? O PRO 106 A 1 +ATOM 798 C CB PRO 106 . . A 1 1.4 83.14 35.902 1 30.25 ? CB PRO 106 A 1 +ATOM 799 C CG PRO 106 . . A 1 0.702 82.765 37.223 1 31.36 ? CG PRO 106 A 1 +ATOM 800 C CD PRO 106 . . A 1 -0.475 83.744 37.389 1 29.44 ? CD PRO 106 A 1 +ATOM 801 N N LYS 107 . . A 1 0.301 82.769 32.946 1 30.72 ? N LYS 107 A 1 +ATOM 802 C CA LYS 107 . . A 1 -0.264 81.958 31.873 1 27.34 ? CA LYS 107 A 1 +ATOM 803 C C LYS 107 . . A 1 -0.089 80.476 32.151 1 26.12 ? C LYS 107 A 1 +ATOM 804 O O LYS 107 . . A 1 -1.005 79.674 32.119 1 25.2 ? O LYS 107 A 1 +ATOM 805 C CB LYS 107 . . A 1 0.287 82.423 30.53 1 28.41 ? CB LYS 107 A 1 +ATOM 806 N N SER 108 . . A 1 1.144 80.134 32.43 1 25.79 ? N SER 108 A 1 +ATOM 807 C CA SER 108 . . A 1 1.465 78.762 32.78 1 29.14 ? CA SER 108 A 1 +ATOM 808 C C SER 108 . . A 1 2.701 78.929 33.61 1 30.57 ? C SER 108 A 1 +ATOM 809 O O SER 108 . . A 1 3.641 79.517 33.095 1 30.49 ? O SER 108 A 1 +ATOM 810 C CB SER 108 . . A 1 1.841 77.916 31.571 1 28.68 ? CB SER 108 A 1 +ATOM 811 O OG SER 108 . . A 1 0.699 77.249 31.06 1 37.53 ? OG SER 108 A 1 +ATOM 812 N N THR 109 . . A 1 2.696 78.444 34.861 1 29.7 ? N THR 109 A 1 +ATOM 813 C CA THR 109 . . A 1 3.864 78.57 35.721 1 25.6 ? CA THR 109 A 1 +ATOM 814 C C THR 109 . . A 1 3.887 77.365 36.631 1 25.96 ? C THR 109 A 1 +ATOM 815 O O THR 109 . . A 1 2.918 76.606 36.626 1 28.79 ? O THR 109 A 1 +ATOM 816 C CB THR 109 . . A 1 3.839 79.919 36.435 1 22.51 ? CB THR 109 A 1 +ATOM 817 O OG1 THR 109 . . A 1 5.133 80.163 36.97 1 30.15 ? OG1 THR 109 A 1 +ATOM 818 C CG2 THR 109 . . A 1 2.746 80.107 37.496 1 20.47 ? CG2 THR 109 A 1 +ATOM 819 N N THR 110 . . A 1 4.999 77.202 37.372 1 20.3 ? N THR 110 A 1 +ATOM 820 C CA THR 110 . . A 1 5.191 76.072 38.277 1 16.91 ? CA THR 110 A 1 +ATOM 821 C C THR 110 . . A 1 4.161 76.062 39.382 1 16.26 ? C THR 110 A 1 +ATOM 822 O O THR 110 . . A 1 3.648 77.099 39.804 1 16.76 ? O THR 110 A 1 +ATOM 823 C CB THR 110 . . A 1 6.597 76.167 38.862 1 17.56 ? CB THR 110 A 1 +ATOM 824 O OG1 THR 110 . . A 1 7.482 76.435 37.782 1 19.32 ? OG1 THR 110 A 1 +ATOM 825 C CG2 THR 110 . . A 1 7.093 74.903 39.562 1 17.74 ? CG2 THR 110 A 1 +ATOM 826 N N VAL 111 . . A 1 3.905 74.847 39.85 1 12.04 ? N VAL 111 A 1 +ATOM 827 C CA VAL 111 . . A 1 2.933 74.65 40.884 1 12.71 ? CA VAL 111 A 1 +ATOM 828 C C VAL 111 . . A 1 3.619 73.91 42.015 1 13.45 ? C VAL 111 A 1 +ATOM 829 O O VAL 111 . . A 1 4.44 73.036 41.749 1 8.98 ? O VAL 111 A 1 +ATOM 830 C CB VAL 111 . . A 1 1.822 73.79 40.267 1 10.48 ? CB VAL 111 A 1 +ATOM 831 C CG1 VAL 111 . . A 1 0.65 73.518 41.209 1 17.35 ? CG1 VAL 111 A 1 +ATOM 832 C CG2 VAL 111 . . A 1 1.294 74.387 38.961 1 10.89 ? CG2 VAL 111 A 1 +ATOM 833 N N MET 112 . . A 1 3.268 74.27 43.272 1 13.92 ? N MET 112 A 1 +ATOM 834 C CA MET 112 . . A 1 3.81 73.625 44.465 1 8.38 ? CA MET 112 A 1 +ATOM 835 C C MET 112 . . A 1 2.588 73.253 45.273 1 10.42 ? C MET 112 A 1 +ATOM 836 O O MET 112 . . A 1 1.78 74.125 45.58 1 12.73 ? O MET 112 A 1 +ATOM 837 C CB MET 112 . . A 1 4.73 74.574 45.226 1 2.88 ? CB MET 112 A 1 +ATOM 838 C CG MET 112 . . A 1 5.907 75.036 44.352 1 2 ? CG MET 112 A 1 +ATOM 839 S SD MET 112 . . A 1 7.23 75.786 45.353 1 8.8 ? SD MET 112 A 1 +ATOM 840 C CE MET 112 . . A 1 7.892 74.272 46.113 1 5.32 ? CE MET 112 A 1 +ATOM 841 N N VAL 113 . . A 1 2.431 71.954 45.563 1 9.72 ? N VAL 113 A 1 +ATOM 842 C CA VAL 113 . . A 1 1.284 71.466 46.333 1 9.94 ? CA VAL 113 A 1 +ATOM 843 C C VAL 113 . . A 1 1.84 71.047 47.683 1 12.79 ? C VAL 113 A 1 +ATOM 844 O O VAL 113 . . A 1 2.714 70.192 47.747 1 17.85 ? O VAL 113 A 1 +ATOM 845 C CB VAL 113 . . A 1 0.7 70.192 45.662 1 8.48 ? CB VAL 113 A 1 +ATOM 846 C CG1 VAL 113 . . A 1 -0.476 69.582 46.422 1 5.76 ? CG1 VAL 113 A 1 +ATOM 847 C CG2 VAL 113 . . A 1 0.339 70.337 44.185 1 5.88 ? CG2 VAL 113 A 1 +ATOM 848 N N TRP 114 . . A 1 1.31 71.613 48.756 1 13.62 ? N TRP 114 A 1 +ATOM 849 C CA TRP 114 . . A 1 1.767 71.319 50.113 1 13.84 ? CA TRP 114 A 1 +ATOM 850 C C TRP 114 . . A 1 0.871 70.289 50.789 1 13.2 ? C TRP 114 A 1 +ATOM 851 O O TRP 114 . . A 1 -0.34 70.506 50.888 1 16.95 ? O TRP 114 A 1 +ATOM 852 C CB TRP 114 . . A 1 1.693 72.653 50.908 1 15.62 ? CB TRP 114 A 1 +ATOM 853 C CG TRP 114 . . A 1 2.009 72.493 52.386 1 16.04 ? CG TRP 114 A 1 +ATOM 854 C CD1 TRP 114 . . A 1 1.093 72.608 53.465 1 16.62 ? CD1 TRP 114 A 1 +ATOM 855 C CD2 TRP 114 . . A 1 3.257 72.186 52.94 1 12.64 ? CD2 TRP 114 A 1 +ATOM 856 N NE1 TRP 114 . . A 1 1.724 72.376 54.643 1 14.39 ? NE1 TRP 114 A 1 +ATOM 857 C CE2 TRP 114 . . A 1 3.044 72.106 54.395 1 10.99 ? CE2 TRP 114 A 1 +ATOM 858 C CE3 TRP 114 . . A 1 4.52 71.943 52.408 1 12.85 ? CE3 TRP 114 A 1 +ATOM 859 C CZ2 TRP 114 . . A 1 4.13 71.81 55.211 1 10.13 ? CZ2 TRP 114 A 1 +ATOM 860 C CZ3 TRP 114 . . A 1 5.589 71.64 53.26 1 9.96 ? CZ3 TRP 114 A 1 +ATOM 861 C CH2 TRP 114 . . A 1 5.392 71.573 54.643 1 9.36 ? CH2 TRP 114 A 1 +ATOM 862 N N ILE 115 . . A 1 1.487 69.2 51.262 1 12.94 ? N ILE 115 A 1 +ATOM 863 C CA ILE 115 . . A 1 0.812 68.126 51.991 1 11.91 ? CA ILE 115 A 1 +ATOM 864 C C ILE 115 . . A 1 1.353 68.264 53.426 1 17.84 ? C ILE 115 A 1 +ATOM 865 O O ILE 115 . . A 1 2.548 68.034 53.654 1 21.48 ? O ILE 115 A 1 +ATOM 866 C CB ILE 115 . . A 1 1.185 66.764 51.38 1 8.5 ? CB ILE 115 A 1 +ATOM 867 C CG1 ILE 115 . . A 1 1.022 66.806 49.833 1 6.95 ? CG1 ILE 115 A 1 +ATOM 868 C CG2 ILE 115 . . A 1 0.438 65.597 52.059 1 2.5 ? CG2 ILE 115 A 1 +ATOM 869 C CD1 ILE 115 . . A 1 1.134 65.447 49.121 1 5.12 ? CD1 ILE 115 A 1 +ATOM 870 N N TYR 116 . . A 1 0.453 68.652 54.372 1 16.62 ? N TYR 116 A 1 +ATOM 871 C CA TYR 116 . . A 1 0.81 68.865 55.784 1 11.94 ? CA TYR 116 A 1 +ATOM 872 C C TYR 116 . . A 1 1.152 67.614 56.581 1 14.71 ? C TYR 116 A 1 +ATOM 873 O O TYR 116 . . A 1 0.761 66.489 56.293 1 16.59 ? O TYR 116 A 1 +ATOM 874 C CB TYR 116 . . A 1 -0.278 69.648 56.545 1 9.8 ? CB TYR 116 A 1 +ATOM 875 C CG TYR 116 . . A 1 -1.647 69.008 56.579 1 8.1 ? CG TYR 116 A 1 +ATOM 876 C CD1 TYR 116 . . A 1 -1.881 67.74 57.158 1 9.71 ? CD1 TYR 116 A 1 +ATOM 877 C CD2 TYR 116 . . A 1 -2.725 69.704 56.022 1 7.13 ? CD2 TYR 116 A 1 +ATOM 878 C CE1 TYR 116 . . A 1 -3.169 67.182 57.164 1 6.62 ? CE1 TYR 116 A 1 +ATOM 879 C CE2 TYR 116 . . A 1 -4.006 69.153 56.019 1 3.94 ? CE2 TYR 116 A 1 +ATOM 880 C CZ TYR 116 . . A 1 -4.225 67.898 56.586 1 4.37 ? CZ TYR 116 A 1 +ATOM 881 O OH TYR 116 . . A 1 -5.5 67.391 56.594 1 10.79 ? OH TYR 116 A 1 +ATOM 882 N N GLY 117 . . A 1 1.886 67.862 57.656 1 16.91 ? N GLY 117 A 1 +ATOM 883 C CA GLY 117 . . A 1 2.315 66.812 58.55 1 14.98 ? CA GLY 117 A 1 +ATOM 884 C C GLY 117 . . A 1 1.378 66.772 59.725 1 16.3 ? C GLY 117 A 1 +ATOM 885 O O GLY 117 . . A 1 0.361 67.469 59.779 1 13.8 ? O GLY 117 A 1 +ATOM 886 N N GLY 118 . . A 1 1.802 65.935 60.691 1 17.02 ? N GLY 118 A 1 +ATOM 887 C CA GLY 118 . . A 1 1.026 65.735 61.919 1 11.44 ? CA GLY 118 A 1 +ATOM 888 C C GLY 118 . . A 1 0.969 64.274 62.377 1 8.72 ? C GLY 118 A 1 +ATOM 889 O O GLY 118 . . A 1 -0.008 63.845 62.978 1 5.62 ? O GLY 118 A 1 +ATOM 890 N N GLY 119 . . A 1 2.02 63.492 62.055 1 2 ? N GLY 119 A 1 +ATOM 891 C CA GLY 119 . . A 1 1.985 62.085 62.487 1 5.94 ? CA GLY 119 A 1 +ATOM 892 C C GLY 119 . . A 1 0.749 61.27 62.079 1 8.79 ? C GLY 119 A 1 +ATOM 893 O O GLY 119 . . A 1 0.359 60.285 62.688 1 13.5 ? O GLY 119 A 1 +ATOM 894 N N PHE 120 . . A 1 0.105 61.718 61.013 1 11.22 ? N PHE 120 A 1 +ATOM 895 C CA PHE 120 . . A 1 -1.093 61.067 60.49 1 12.14 ? CA PHE 120 A 1 +ATOM 896 C C PHE 120 . . A 1 -2.344 61.235 61.335 1 15.23 ? C PHE 120 A 1 +ATOM 897 O O PHE 120 . . A 1 -3.405 60.852 60.864 1 15.16 ? O PHE 120 A 1 +ATOM 898 C CB PHE 120 . . A 1 -0.898 59.592 60.086 1 11.92 ? CB PHE 120 A 1 +ATOM 899 C CG PHE 120 . . A 1 -0.021 59.437 58.865 1 11.41 ? CG PHE 120 A 1 +ATOM 900 C CD1 PHE 120 . . A 1 -0.517 59.828 57.608 1 11.7 ? CD1 PHE 120 A 1 +ATOM 901 C CD2 PHE 120 . . A 1 1.272 58.896 58.957 1 12.73 ? CD2 PHE 120 A 1 +ATOM 902 C CE1 PHE 120 . . A 1 0.257 59.674 56.456 1 11.52 ? CE1 PHE 120 A 1 +ATOM 903 C CE2 PHE 120 . . A 1 2.049 58.734 57.798 1 14.44 ? CE2 PHE 120 A 1 +ATOM 904 C CZ PHE 120 . . A 1 1.542 59.125 56.554 1 14.34 ? CZ PHE 120 A 1 +ATOM 905 N N TYR 121 . . A 1 -2.252 61.817 62.554 1 19.62 ? N TYR 121 A 1 +ATOM 906 C CA TYR 121 . . A 1 -3.43 62.023 63.438 1 13.61 ? CA TYR 121 A 1 +ATOM 907 C C TYR 121 . . A 1 -3.834 63.487 63.533 1 12.9 ? C TYR 121 A 1 +ATOM 908 O O TYR 121 . . A 1 -4.836 63.806 64.17 1 15.56 ? O TYR 121 A 1 +ATOM 909 C CB TYR 121 . . A 1 -3.222 61.517 64.891 1 11.91 ? CB TYR 121 A 1 +ATOM 910 C CG TYR 121 . . A 1 -2.162 62.299 65.637 1 11.99 ? CG TYR 121 A 1 +ATOM 911 C CD1 TYR 121 . . A 1 -0.821 61.913 65.545 1 12.64 ? CD1 TYR 121 A 1 +ATOM 912 C CD2 TYR 121 . . A 1 -2.498 63.446 66.378 1 8.96 ? CD2 TYR 121 A 1 +ATOM 913 C CE1 TYR 121 . . A 1 0.169 62.668 66.173 1 16.39 ? CE1 TYR 121 A 1 +ATOM 914 C CE2 TYR 121 . . A 1 -1.511 64.207 67.01 1 10.84 ? CE2 TYR 121 A 1 +ATOM 915 C CZ TYR 121 . . A 1 -0.169 63.811 66.912 1 16.22 ? CZ TYR 121 A 1 +ATOM 916 O OH TYR 121 . . A 1 0.852 64.505 67.542 1 20.04 ? OH TYR 121 A 1 +ATOM 917 N N SER 122 . . A 1 -3.043 64.388 62.951 1 12.66 ? N SER 122 A 1 +ATOM 918 C CA SER 122 . . A 1 -3.433 65.783 63.028 1 13.78 ? CA SER 122 A 1 +ATOM 919 C C SER 122 . . A 1 -2.996 66.469 61.746 1 15.52 ? C SER 122 A 1 +ATOM 920 O O SER 122 . . A 1 -2.343 65.84 60.917 1 19 ? O SER 122 A 1 +ATOM 921 C CB SER 122 . . A 1 -2.833 66.39 64.309 1 15.76 ? CB SER 122 A 1 +ATOM 922 O OG SER 122 . . A 1 -1.385 66.399 64.278 1 15.94 ? OG SER 122 A 1 +ATOM 923 N N GLY 123 . . A 1 -3.381 67.749 61.621 1 14.94 ? N GLY 123 A 1 +ATOM 924 C CA GLY 123 . . A 1 -2.982 68.541 60.481 1 12.91 ? CA GLY 123 A 1 +ATOM 925 C C GLY 123 . . A 1 -4.081 69.464 59.985 1 14.38 ? C GLY 123 A 1 +ATOM 926 O O GLY 123 . . A 1 -5.277 69.204 60.076 1 17.47 ? O GLY 123 A 1 +ATOM 927 N N SER 124 . . A 1 -3.667 70.609 59.463 1 12.13 ? N SER 124 A 1 +ATOM 928 C CA SER 124 . . A 1 -4.608 71.546 58.902 1 15.36 ? CA SER 124 A 1 +ATOM 929 C C SER 124 . . A 1 -3.839 72.263 57.826 1 19.62 ? C SER 124 A 1 +ATOM 930 O O SER 124 . . A 1 -2.623 72.36 57.868 1 21.18 ? O SER 124 A 1 +ATOM 931 C CB SER 124 . . A 1 -5.124 72.554 59.919 1 16.61 ? CB SER 124 A 1 +ATOM 932 O OG SER 124 . . A 1 -5.954 71.92 60.876 1 22.82 ? OG SER 124 A 1 +ATOM 933 N N SER 125 . . A 1 -4.571 72.752 56.839 1 20.53 ? N SER 125 A 1 +ATOM 934 C CA SER 125 . . A 1 -3.953 73.469 55.739 1 19.71 ? CA SER 125 A 1 +ATOM 935 C C SER 125 . . A 1 -4.045 74.981 55.94 1 19.53 ? C SER 125 A 1 +ATOM 936 O O SER 125 . . A 1 -3.391 75.776 55.296 1 23.23 ? O SER 125 A 1 +ATOM 937 C CB SER 125 . . A 1 -4.691 73.059 54.458 1 16 ? CB SER 125 A 1 +ATOM 938 O OG SER 125 . . A 1 -6.096 73.286 54.626 1 20.88 ? OG SER 125 A 1 +ATOM 939 N N THR 126 . . A 1 -4.918 75.336 56.865 1 17.15 ? N THR 126 A 1 +ATOM 940 C CA THR 126 . . A 1 -5.267 76.683 57.258 1 16.37 ? CA THR 126 A 1 +ATOM 941 C C THR 126 . . A 1 -4.343 77.317 58.289 1 15.76 ? C THR 126 A 1 +ATOM 942 O O THR 126 . . A 1 -4.533 78.441 58.74 1 19.46 ? O THR 126 A 1 +ATOM 943 C CB THR 126 . . A 1 -6.684 76.536 57.859 1 18.02 ? CB THR 126 A 1 +ATOM 944 O OG1 THR 126 . . A 1 -6.568 75.606 58.952 1 21.85 ? OG1 THR 126 A 1 +ATOM 945 C CG2 THR 126 . . A 1 -7.685 75.878 56.882 1 14.37 ? CG2 THR 126 A 1 +ATOM 946 N N LEU 127 . . A 1 -3.337 76.562 58.719 1 13.5 ? N LEU 127 A 1 +ATOM 947 C CA LEU 127 . . A 1 -2.451 77.133 59.722 1 11.7 ? CA LEU 127 A 1 +ATOM 948 C C LEU 127 . . A 1 -1.705 78.306 59.147 1 12.34 ? C LEU 127 A 1 +ATOM 949 O O LEU 127 . . A 1 -1.409 78.366 57.975 1 17.17 ? O LEU 127 A 1 +ATOM 950 C CB LEU 127 . . A 1 -1.422 76.104 60.212 1 9.96 ? CB LEU 127 A 1 +ATOM 951 C CG LEU 127 . . A 1 -2.002 74.756 60.677 1 7.51 ? CG LEU 127 A 1 +ATOM 952 C CD1 LEU 127 . . A 1 -0.87 73.911 61.282 1 9.8 ? CD1 LEU 127 A 1 +ATOM 953 C CD2 LEU 127 . . A 1 -3.143 74.925 61.696 1 6.16 ? CD2 LEU 127 A 1 +ATOM 954 N N ASP 128 . . A 1 -1.321 79.238 59.977 1 13.92 ? N ASP 128 A 1 +ATOM 955 C CA ASP 128 . . A 1 -0.609 80.406 59.501 1 16.51 ? CA ASP 128 A 1 +ATOM 956 C C ASP 128 . . A 1 0.772 80.081 59.013 1 15.68 ? C ASP 128 A 1 +ATOM 957 O O ASP 128 . . A 1 1.313 80.837 58.228 1 18.82 ? O ASP 128 A 1 +ATOM 958 C CB ASP 128 . . A 1 -0.487 81.527 60.544 1 23.3 ? CB ASP 128 A 1 +ATOM 959 C CG ASP 128 . . A 1 -1.804 82.083 61.084 1 28.62 ? CG ASP 128 A 1 +ATOM 960 O OD1 ASP 128 . . A 1 -2.87 81.733 60.572 1 36.47 ? OD1 ASP 128 A 1 +ATOM 961 O OD2 ASP 128 . . A 1 -1.751 82.873 62.029 1 35.21 ? OD2 ASP 128 A 1 +ATOM 962 N N VAL 129 . . A 1 1.374 78.973 59.458 1 16.76 ? N VAL 129 A 1 +ATOM 963 C CA VAL 129 . . A 1 2.721 78.716 58.919 1 17.51 ? CA VAL 129 A 1 +ATOM 964 C C VAL 129 . . A 1 2.614 78.002 57.572 1 20.95 ? C VAL 129 A 1 +ATOM 965 O O VAL 129 . . A 1 3.617 77.561 57.037 1 24.78 ? O VAL 129 A 1 +ATOM 966 C CB VAL 129 . . A 1 3.617 77.937 59.912 1 9.97 ? CB VAL 129 A 1 +ATOM 967 C CG1 VAL 129 . . A 1 4.157 78.846 61.02 1 15.67 ? CG1 VAL 129 A 1 +ATOM 968 C CG2 VAL 129 . . A 1 2.894 76.746 60.546 1 7.52 ? CG2 VAL 129 A 1 +ATOM 969 N N TYR 130 . . A 1 1.381 77.844 57.063 1 17.72 ? N TYR 130 A 1 +ATOM 970 C CA TYR 130 . . A 1 1.176 77.188 55.783 1 15.58 ? CA TYR 130 A 1 +ATOM 971 C C TYR 130 . . A 1 0.429 78.157 54.867 1 22.21 ? C TYR 130 A 1 +ATOM 972 O O TYR 130 . . A 1 -0.228 77.797 53.894 1 24.39 ? O TYR 130 A 1 +ATOM 973 C CB TYR 130 . . A 1 0.299 75.934 55.952 1 11.62 ? CB TYR 130 A 1 +ATOM 974 C CG TYR 130 . . A 1 0.825 74.823 56.857 1 9.44 ? CG TYR 130 A 1 +ATOM 975 C CD1 TYR 130 . . A 1 2.18 74.673 57.197 1 5.49 ? CD1 TYR 130 A 1 +ATOM 976 C CD2 TYR 130 . . A 1 -0.092 73.884 57.363 1 8.88 ? CD2 TYR 130 A 1 +ATOM 977 C CE1 TYR 130 . . A 1 2.591 73.611 58.022 1 6.11 ? CE1 TYR 130 A 1 +ATOM 978 C CE2 TYR 130 . . A 1 0.32 72.812 58.171 1 5.33 ? CE2 TYR 130 A 1 +ATOM 979 C CZ TYR 130 . . A 1 1.671 72.666 58.5 1 7.17 ? CZ TYR 130 A 1 +ATOM 980 O OH TYR 130 . . A 1 2.143 71.595 59.244 1 4.45 ? OH TYR 130 A 1 +ATOM 981 N N ASN 131 . . A 1 0.493 79.452 55.222 1 24.81 ? N ASN 131 A 1 +ATOM 982 C CA ASN 131 . . A 1 -0.197 80.445 54.4 1 23.92 ? CA ASN 131 A 1 +ATOM 983 C C ASN 131 . . A 1 0.734 80.708 53.237 1 23.49 ? C ASN 131 A 1 +ATOM 984 O O ASN 131 . . A 1 1.803 81.283 53.393 1 25.76 ? O ASN 131 A 1 +ATOM 985 C CB ASN 131 . . A 1 -0.482 81.708 55.217 1 24.47 ? CB ASN 131 A 1 +ATOM 986 C CG ASN 131 . . A 1 -1.187 82.722 54.362 1 22.55 ? CG ASN 131 A 1 +ATOM 987 O OD1 ASN 131 . . A 1 -0.626 83.207 53.402 1 22.56 ? OD1 ASN 131 A 1 +ATOM 988 N ND2 ASN 131 . . A 1 -2.427 83.044 54.691 1 27.84 ? ND2 ASN 131 A 1 +ATOM 989 N N GLY 132 . . A 1 0.325 80.257 52.049 1 25.22 ? N GLY 132 A 1 +ATOM 990 C CA GLY 132 . . A 1 1.201 80.415 50.887 1 24.01 ? CA GLY 132 A 1 +ATOM 991 C C GLY 132 . . A 1 1.292 81.78 50.223 1 24.53 ? C GLY 132 A 1 +ATOM 992 O O GLY 132 . . A 1 1.938 81.88 49.181 1 22.81 ? O GLY 132 A 1 +ATOM 993 N N LYS 133 . . A 1 0.691 82.84 50.796 1 23.16 ? N LYS 133 A 1 +ATOM 994 C CA LYS 133 . . A 1 0.787 84.142 50.126 1 20.32 ? CA LYS 133 A 1 +ATOM 995 C C LYS 133 . . A 1 2.206 84.627 49.859 1 20.65 ? C LYS 133 A 1 +ATOM 996 O O LYS 133 . . A 1 2.522 85.208 48.831 1 21.83 ? O LYS 133 A 1 +ATOM 997 C CB LYS 133 . . A 1 0.023 85.259 50.877 1 16.95 ? CB LYS 133 A 1 +ATOM 998 C CG LYS 133 . . A 1 0.713 85.863 52.142 1 22.4 ? CG LYS 133 A 1 +ATOM 999 C CD LYS 133 . . A 1 -0.033 87.022 52.852 1 20.59 ? CD LYS 133 A 1 +ATOM 1000 C CE LYS 133 . . A 1 -1.463 86.654 53.243 1 30.03 ? CE LYS 133 A 1 +ATOM 1001 N NZ LYS 133 . . A 1 -2.093 87.733 53.974 1 36.8 ? NZ LYS 133 A 1 +ATOM 1002 N N TYR 134 . . A 1 3.082 84.366 50.816 1 21.5 ? N TYR 134 A 1 +ATOM 1003 C CA TYR 134 . . A 1 4.442 84.873 50.659 1 22.9 ? CA TYR 134 A 1 +ATOM 1004 C C TYR 134 . . A 1 5.211 84.124 49.615 1 22.76 ? C TYR 134 A 1 +ATOM 1005 O O TYR 134 . . A 1 5.92 84.695 48.808 1 22.22 ? O TYR 134 A 1 +ATOM 1006 C CB TYR 134 . . A 1 5.214 84.878 52.002 1 25.06 ? CB TYR 134 A 1 +ATOM 1007 C CG TYR 134 . . A 1 4.405 85.495 53.122 1 25.21 ? CG TYR 134 A 1 +ATOM 1008 C CD1 TYR 134 . . A 1 4.387 86.883 53.331 1 26.12 ? CD1 TYR 134 A 1 +ATOM 1009 C CD2 TYR 134 . . A 1 3.62 84.668 53.938 1 27.87 ? CD2 TYR 134 A 1 +ATOM 1010 C CE1 TYR 134 . . A 1 3.581 87.44 54.333 1 29.44 ? CE1 TYR 134 A 1 +ATOM 1011 C CE2 TYR 134 . . A 1 2.807 85.215 54.935 1 30.74 ? CE2 TYR 134 A 1 +ATOM 1012 C CZ TYR 134 . . A 1 2.783 86.605 55.135 1 32.62 ? CZ TYR 134 A 1 +ATOM 1013 O OH TYR 134 . . A 1 1.969 87.16 56.108 1 36.7 ? OH TYR 134 A 1 +ATOM 1014 N N LEU 135 . . A 1 5.041 82.804 49.612 1 25.17 ? N LEU 135 A 1 +ATOM 1015 C CA LEU 135 . . A 1 5.786 82.023 48.62 1 22.13 ? CA LEU 135 A 1 +ATOM 1016 C C LEU 135 . . A 1 5.305 82.336 47.2 1 23.51 ? C LEU 135 A 1 +ATOM 1017 O O LEU 135 . . A 1 6.081 82.613 46.287 1 23.54 ? O LEU 135 A 1 +ATOM 1018 C CB LEU 135 . . A 1 5.709 80.52 48.958 1 13.03 ? CB LEU 135 A 1 +ATOM 1019 C CG LEU 135 . . A 1 6.761 79.635 48.278 1 9.29 ? CG LEU 135 A 1 +ATOM 1020 C CD1 LEU 135 . . A 1 8.181 80.179 48.469 1 6.96 ? CD1 LEU 135 A 1 +ATOM 1021 C CD2 LEU 135 . . A 1 6.71 78.203 48.836 1 2 ? CD2 LEU 135 A 1 +ATOM 1022 N N ALA 136 . . A 1 3.969 82.313 47.054 1 22.76 ? N ALA 136 A 1 +ATOM 1023 C CA ALA 136 . . A 1 3.352 82.583 45.765 1 22.99 ? CA ALA 136 A 1 +ATOM 1024 C C ALA 136 . . A 1 3.797 83.909 45.19 1 26.43 ? C ALA 136 A 1 +ATOM 1025 O O ALA 136 . . A 1 4.072 84.061 44.008 1 31.51 ? O ALA 136 A 1 +ATOM 1026 C CB ALA 136 . . A 1 1.822 82.62 45.886 1 24.06 ? CB ALA 136 A 1 +ATOM 1027 N N TYR 137 . . A 1 3.864 84.891 46.075 1 25.08 ? N TYR 137 A 1 +ATOM 1028 C CA TYR 137 . . A 1 4.259 86.228 45.667 1 21.07 ? CA TYR 137 A 1 +ATOM 1029 C C TYR 137 . . A 1 5.752 86.352 45.39 1 19.78 ? C TYR 137 A 1 +ATOM 1030 O O TYR 137 . . A 1 6.186 86.678 44.302 1 22.62 ? O TYR 137 A 1 +ATOM 1031 C CB TYR 137 . . A 1 3.776 87.176 46.78 1 21.86 ? CB TYR 137 A 1 +ATOM 1032 C CG TYR 137 . . A 1 4.207 88.596 46.587 1 25.22 ? CG TYR 137 A 1 +ATOM 1033 C CD1 TYR 137 . . A 1 5.469 89.006 47.056 1 26.11 ? CD1 TYR 137 A 1 +ATOM 1034 C CD2 TYR 137 . . A 1 3.39 89.502 45.897 1 27.33 ? CD2 TYR 137 A 1 +ATOM 1035 C CE1 TYR 137 . . A 1 5.934 90.303 46.813 1 26.02 ? CE1 TYR 137 A 1 +ATOM 1036 C CE2 TYR 137 . . A 1 3.861 90.803 45.65 1 29.82 ? CE2 TYR 137 A 1 +ATOM 1037 C CZ TYR 137 . . A 1 5.131 91.205 46.099 1 27.3 ? CZ TYR 137 A 1 +ATOM 1038 O OH TYR 137 . . A 1 5.59 92.473 45.816 1 30.83 ? OH TYR 137 A 1 +ATOM 1039 N N THR 138 . . A 1 6.561 86.075 46.389 1 20.97 ? N THR 138 A 1 +ATOM 1040 C CA THR 138 . . A 1 7.994 86.219 46.226 1 20.55 ? CA THR 138 A 1 +ATOM 1041 C C THR 138 . . A 1 8.594 85.388 45.105 1 19.98 ? C THR 138 A 1 +ATOM 1042 O O THR 138 . . A 1 9.536 85.824 44.465 1 22.83 ? O THR 138 A 1 +ATOM 1043 C CB THR 138 . . A 1 8.658 85.913 47.603 1 23.61 ? CB THR 138 A 1 +ATOM 1044 O OG1 THR 138 . . A 1 8.013 86.675 48.628 1 26.1 ? OG1 THR 138 A 1 +ATOM 1045 C CG2 THR 138 . . A 1 10.153 86.255 47.751 1 24.64 ? CG2 THR 138 A 1 +ATOM 1046 N N GLU 139 . . A 1 8.076 84.177 44.875 1 20.94 ? N GLU 139 A 1 +ATOM 1047 C CA GLU 139 . . A 1 8.66 83.342 43.822 1 20.56 ? CA GLU 139 A 1 +ATOM 1048 C C GLU 139 . . A 1 7.784 83.199 42.58 1 24.47 ? C GLU 139 A 1 +ATOM 1049 O O GLU 139 . . A 1 8.175 82.603 41.583 1 25.05 ? O GLU 139 A 1 +ATOM 1050 C CB GLU 139 . . A 1 9.037 81.968 44.39 1 14.12 ? CB GLU 139 A 1 +ATOM 1051 C CG GLU 139 . . A 1 10.209 82.052 45.386 1 17.03 ? CG GLU 139 A 1 +ATOM 1052 C CD GLU 139 . . A 1 11.524 82.428 44.705 1 24.78 ? CD GLU 139 A 1 +ATOM 1053 O OE1 GLU 139 . . A 1 11.72 82.081 43.54 1 26.19 ? OE1 GLU 139 A 1 +ATOM 1054 O OE2 GLU 139 . . A 1 12.362 83.065 45.341 1 27.39 ? OE2 GLU 139 A 1 +ATOM 1055 N N GLU 140 . . A 1 6.575 83.751 42.655 1 25.5 ? N GLU 140 A 1 +ATOM 1056 C CA GLU 140 . . A 1 5.678 83.684 41.516 1 25.77 ? CA GLU 140 A 1 +ATOM 1057 C C GLU 140 . . A 1 5.417 82.271 41.083 1 23.21 ? C GLU 140 A 1 +ATOM 1058 O O GLU 140 . . A 1 5.79 81.845 40.001 1 24.2 ? O GLU 140 A 1 +ATOM 1059 C CB GLU 140 . . A 1 6.182 84.55 40.358 1 31.13 ? CB GLU 140 A 1 +ATOM 1060 C CG GLU 140 . . A 1 6.341 86.013 40.826 1 42.92 ? CG GLU 140 A 1 +ATOM 1061 C CD GLU 140 . . A 1 7.014 86.896 39.795 1 46.01 ? CD GLU 140 A 1 +ATOM 1062 O OE1 GLU 140 . . A 1 8.247 86.987 39.816 1 48.31 ? OE1 GLU 140 A 1 +ATOM 1063 O OE2 GLU 140 . . A 1 6.3 87.494 38.988 1 48.93 ? OE2 GLU 140 A 1 +ATOM 1064 N N VAL 141 . . A 1 4.758 81.551 41.978 1 19.1 ? N VAL 141 A 1 +ATOM 1065 C CA VAL 141 . . A 1 4.408 80.193 41.681 1 16.2 ? CA VAL 141 A 1 +ATOM 1066 C C VAL 141 . . A 1 2.971 80.098 42.117 1 17.91 ? C VAL 141 A 1 +ATOM 1067 O O VAL 141 . . A 1 2.477 80.967 42.828 1 19.3 ? O VAL 141 A 1 +ATOM 1068 C CB VAL 141 . . A 1 5.31 79.223 42.464 1 13.59 ? CB VAL 141 A 1 +ATOM 1069 C CG1 VAL 141 . . A 1 6.789 79.545 42.267 1 14.93 ? CG1 VAL 141 A 1 +ATOM 1070 C CG2 VAL 141 . . A 1 5.016 79.148 43.974 1 15.84 ? CG2 VAL 141 A 1 +ATOM 1071 N N VAL 142 . . A 1 2.297 79.049 41.667 1 19.99 ? N VAL 142 A 1 +ATOM 1072 C CA VAL 142 . . A 1 0.929 78.836 42.099 1 21.84 ? CA VAL 142 A 1 +ATOM 1073 C C VAL 142 . . A 1 1.158 77.865 43.278 1 25.41 ? C VAL 142 A 1 +ATOM 1074 O O VAL 142 . . A 1 1.933 76.905 43.156 1 28.57 ? O VAL 142 A 1 +ATOM 1075 C CB VAL 142 . . A 1 0.102 78.239 40.935 1 16.98 ? CB VAL 142 A 1 +ATOM 1076 C CG1 VAL 142 . . A 1 -1.294 77.78 41.354 1 13.15 ? CG1 VAL 142 A 1 +ATOM 1077 C CG2 VAL 142 . . A 1 -0.015 79.247 39.779 1 14.31 ? CG2 VAL 142 A 1 +ATOM 1078 N N LEU 143 . . A 1 0.506 78.116 44.421 1 20.39 ? N LEU 143 A 1 +ATOM 1079 C CA LEU 143 . . A 1 0.739 77.203 45.521 1 16.77 ? CA LEU 143 A 1 +ATOM 1080 C C LEU 143 . . A 1 -0.568 76.675 45.998 1 14.76 ? C LEU 143 A 1 +ATOM 1081 O O LEU 143 . . A 1 -1.495 77.47 46.13 1 16.15 ? O LEU 143 A 1 +ATOM 1082 C CB LEU 143 . . A 1 1.421 77.98 46.647 1 18.86 ? CB LEU 143 A 1 +ATOM 1083 C CG LEU 143 . . A 1 2.033 77.054 47.721 1 21.71 ? CG LEU 143 A 1 +ATOM 1084 C CD1 LEU 143 . . A 1 3.315 77.673 48.226 1 23.56 ? CD1 LEU 143 A 1 +ATOM 1085 C CD2 LEU 143 . . A 1 1.098 76.749 48.911 1 25.64 ? CD2 LEU 143 A 1 +ATOM 1086 N N VAL 144 . . A 1 -0.655 75.366 46.252 1 10.75 ? N VAL 144 A 1 +ATOM 1087 C CA VAL 144 . . A 1 -1.919 74.86 46.755 1 14.28 ? CA VAL 144 A 1 +ATOM 1088 C C VAL 144 . . A 1 -1.633 74.09 48.043 1 17.51 ? C VAL 144 A 1 +ATOM 1089 O O VAL 144 . . A 1 -0.498 73.691 48.307 1 17.97 ? O VAL 144 A 1 +ATOM 1090 C CB VAL 144 . . A 1 -2.686 74.015 45.688 1 13.8 ? CB VAL 144 A 1 +ATOM 1091 C CG1 VAL 144 . . A 1 -2.732 74.691 44.318 1 12.2 ? CG1 VAL 144 A 1 +ATOM 1092 C CG2 VAL 144 . . A 1 -2.147 72.612 45.491 1 12.87 ? CG2 VAL 144 A 1 +ATOM 1093 N N SER 145 . . A 1 -2.688 73.863 48.838 1 18.01 ? N SER 145 A 1 +ATOM 1094 C CA SER 145 . . A 1 -2.565 73.094 50.077 1 16.75 ? CA SER 145 A 1 +ATOM 1095 C C SER 145 . . A 1 -3.721 72.102 50.093 1 18.35 ? C SER 145 A 1 +ATOM 1096 O O SER 145 . . A 1 -4.841 72.534 49.83 1 21.33 ? O SER 145 A 1 +ATOM 1097 C CB SER 145 . . A 1 -2.752 73.997 51.294 1 14.17 ? CB SER 145 A 1 +ATOM 1098 O OG SER 145 . . A 1 -1.903 75.113 51.205 1 15.89 ? OG SER 145 A 1 +ATOM 1099 N N LEU 146 . . A 1 -3.436 70.823 50.382 1 16.79 ? N LEU 146 A 1 +ATOM 1100 C CA LEU 146 . . A 1 -4.478 69.793 50.431 1 18.68 ? CA LEU 146 A 1 +ATOM 1101 C C LEU 146 . . A 1 -5.026 69.673 51.849 1 20.48 ? C LEU 146 A 1 +ATOM 1102 O O LEU 146 . . A 1 -4.548 70.291 52.79 1 21.78 ? O LEU 146 A 1 +ATOM 1103 C CB LEU 146 . . A 1 -3.892 68.376 50.129 1 16.79 ? CB LEU 146 A 1 +ATOM 1104 C CG LEU 146 . . A 1 -2.875 68.317 48.994 1 14.27 ? CG LEU 146 A 1 +ATOM 1105 C CD1 LEU 146 . . A 1 -2.457 66.882 48.684 1 13.59 ? CD1 LEU 146 A 1 +ATOM 1106 C CD2 LEU 146 . . A 1 -3.47 68.973 47.764 1 19.32 ? CD2 LEU 146 A 1 +ATOM 1107 N N SER 147 . . A 1 -6.012 68.801 51.976 1 19.32 ? N SER 147 A 1 +ATOM 1108 C CA SER 147 . . A 1 -6.625 68.454 53.232 1 18.72 ? CA SER 147 A 1 +ATOM 1109 C C SER 147 . . A 1 -6.769 66.967 53.082 1 19.4 ? C SER 147 A 1 +ATOM 1110 O O SER 147 . . A 1 -6.957 66.501 51.965 1 22.27 ? O SER 147 A 1 +ATOM 1111 C CB SER 147 . . A 1 -8.036 69.035 53.378 1 20.89 ? CB SER 147 A 1 +ATOM 1112 O OG SER 147 . . A 1 -7.956 70.444 53.544 1 37.06 ? OG SER 147 A 1 +ATOM 1113 N N TYR 148 . . A 1 -6.666 66.195 54.149 1 17.63 ? N TYR 148 A 1 +ATOM 1114 C CA TYR 148 . . A 1 -6.852 64.775 54.008 1 13.26 ? CA TYR 148 A 1 +ATOM 1115 C C TYR 148 . . A 1 -7.206 64.252 55.354 1 11.54 ? C TYR 148 A 1 +ATOM 1116 O O TYR 148 . . A 1 -6.831 64.78 56.38 1 13.23 ? O TYR 148 A 1 +ATOM 1117 C CB TYR 148 . . A 1 -5.637 64.082 53.421 1 14.4 ? CB TYR 148 A 1 +ATOM 1118 C CG TYR 148 . . A 1 -4.381 64.141 54.265 1 9.41 ? CG TYR 148 A 1 +ATOM 1119 C CD1 TYR 148 . . A 1 -3.487 65.221 54.133 1 10.32 ? CD1 TYR 148 A 1 +ATOM 1120 C CD2 TYR 148 . . A 1 -4.081 63.096 55.175 1 10.52 ? CD2 TYR 148 A 1 +ATOM 1121 C CE1 TYR 148 . . A 1 -2.315 65.264 54.877 1 12.35 ? CE1 TYR 148 A 1 +ATOM 1122 C CE2 TYR 148 . . A 1 -2.915 63.128 55.942 1 7.28 ? CE2 TYR 148 A 1 +ATOM 1123 C CZ TYR 148 . . A 1 -2.053 64.227 55.784 1 8.13 ? CZ TYR 148 A 1 +ATOM 1124 O OH TYR 148 . . A 1 -0.947 64.277 56.571 1 10.17 ? OH TYR 148 A 1 +ATOM 1125 N N ARG 149 . . A 1 -7.992 63.207 55.347 1 8.06 ? N ARG 149 A 1 +ATOM 1126 C CA ARG 149 . . A 1 -8.396 62.667 56.614 1 7.55 ? CA ARG 149 A 1 +ATOM 1127 C C ARG 149 . . A 1 -7.23 62.04 57.315 1 10.66 ? C ARG 149 A 1 +ATOM 1128 O O ARG 149 . . A 1 -6.502 61.285 56.693 1 15.64 ? O ARG 149 A 1 +ATOM 1129 C CB ARG 149 . . A 1 -9.464 61.634 56.327 1 2.81 ? CB ARG 149 A 1 +ATOM 1130 C CG ARG 149 . . A 1 -10.742 62.352 55.885 1 4.63 ? CG ARG 149 A 1 +ATOM 1131 C CD ARG 149 . . A 1 -11.813 61.344 55.529 1 7.73 ? CD ARG 149 A 1 +ATOM 1132 N NE ARG 149 . . A 1 -11.515 60.858 54.207 1 6.6 ? NE ARG 149 A 1 +ATOM 1133 C CZ ARG 149 . . A 1 -12.149 59.825 53.671 1 8.52 ? CZ ARG 149 A 1 +ATOM 1134 N NH1 ARG 149 . . A 1 -12.956 59.041 54.382 1 5.14 ? NH1 ARG 149 A 1 +ATOM 1135 N NH2 ARG 149 . . A 1 -11.952 59.587 52.384 1 12.44 ? NH2 ARG 149 A 1 +ATOM 1136 N N VAL 150 . . A 1 -7.116 62.352 58.605 1 10.93 ? N VAL 150 A 1 +ATOM 1137 C CA VAL 150 . . A 1 -6.094 61.871 59.496 1 9.4 ? CA VAL 150 A 1 +ATOM 1138 C C VAL 150 . . A 1 -6.789 60.995 60.528 1 11.21 ? C VAL 150 A 1 +ATOM 1139 O O VAL 150 . . A 1 -8.006 60.908 60.612 1 10.42 ? O VAL 150 A 1 +ATOM 1140 C CB VAL 150 . . A 1 -5.471 63.106 60.162 1 5.14 ? CB VAL 150 A 1 +ATOM 1141 C CG1 VAL 150 . . A 1 -4.638 63.903 59.153 1 8.3 ? CG1 VAL 150 A 1 +ATOM 1142 C CG2 VAL 150 . . A 1 -6.524 64.009 60.828 1 2 ? CG2 VAL 150 A 1 +ATOM 1143 N N GLY 151 . . A 1 -6.004 60.306 61.333 1 8.74 ? N GLY 151 A 1 +ATOM 1144 C CA GLY 151 . . A 1 -6.612 59.499 62.367 1 13.27 ? CA GLY 151 A 1 +ATOM 1145 C C GLY 151 . . A 1 -7.414 58.318 61.874 1 13.43 ? C GLY 151 A 1 +ATOM 1146 O O GLY 151 . . A 1 -7.234 57.777 60.799 1 18.94 ? O GLY 151 A 1 +ATOM 1147 N N ALA 152 . . A 1 -8.338 57.913 62.734 1 15.81 ? N ALA 152 A 1 +ATOM 1148 C CA ALA 152 . . A 1 -9.201 56.786 62.448 1 15.08 ? CA ALA 152 A 1 +ATOM 1149 C C ALA 152 . . A 1 -9.902 56.996 61.142 1 16.48 ? C ALA 152 A 1 +ATOM 1150 O O ALA 152 . . A 1 -9.926 56.157 60.255 1 19.77 ? O ALA 152 A 1 +ATOM 1151 C CB ALA 152 . . A 1 -10.277 56.644 63.557 1 16.38 ? CB ALA 152 A 1 +ATOM 1152 N N PHE 153 . . A 1 -10.456 58.201 61.068 1 16.47 ? N PHE 153 A 1 +ATOM 1153 C CA PHE 153 . . A 1 -11.234 58.661 59.929 1 17.52 ? CA PHE 153 A 1 +ATOM 1154 C C PHE 153 . . A 1 -10.564 58.546 58.59 1 19.1 ? C PHE 153 A 1 +ATOM 1155 O O PHE 153 . . A 1 -11.256 58.502 57.578 1 22.12 ? O PHE 153 A 1 +ATOM 1156 C CB PHE 153 . . A 1 -11.598 60.141 60.079 1 17.58 ? CB PHE 153 A 1 +ATOM 1157 C CG PHE 153 . . A 1 -12.25 60.434 61.396 1 18.29 ? CG PHE 153 A 1 +ATOM 1158 C CD1 PHE 153 . . A 1 -13.592 60.077 61.604 1 17.81 ? CD1 PHE 153 A 1 +ATOM 1159 C CD2 PHE 153 . . A 1 -11.517 61.048 62.428 1 19.79 ? CD2 PHE 153 A 1 +ATOM 1160 C CE1 PHE 153 . . A 1 -14.192 60.328 62.843 1 19.64 ? CE1 PHE 153 A 1 +ATOM 1161 C CE2 PHE 153 . . A 1 -12.119 61.298 63.664 1 14.71 ? CE2 PHE 153 A 1 +ATOM 1162 C CZ PHE 153 . . A 1 -13.454 60.935 63.873 1 16.31 ? CZ PHE 153 A 1 +ATOM 1163 N N GLY 154 . . A 1 -9.223 58.559 58.589 1 17.08 ? N GLY 154 A 1 +ATOM 1164 C CA GLY 154 . . A 1 -8.51 58.461 57.335 1 13.2 ? CA GLY 154 A 1 +ATOM 1165 C C GLY 154 . . A 1 -7.645 57.226 57.227 1 16.76 ? C GLY 154 A 1 +ATOM 1166 O O GLY 154 . . A 1 -7.2 56.899 56.126 1 21.42 ? O GLY 154 A 1 +ATOM 1167 N N PHE 155 . . A 1 -7.41 56.495 58.332 1 10.13 ? N PHE 155 A 1 +ATOM 1168 C CA PHE 155 . . A 1 -6.518 55.357 58.19 1 4.35 ? CA PHE 155 A 1 +ATOM 1169 C C PHE 155 . . A 1 -6.946 54.07 58.856 1 6.32 ? C PHE 155 A 1 +ATOM 1170 O O PHE 155 . . A 1 -6.132 53.154 59.01 1 5.8 ? O PHE 155 A 1 +ATOM 1171 C CB PHE 155 . . A 1 -5.11 55.781 58.6 1 2.53 ? CB PHE 155 A 1 +ATOM 1172 C CG PHE 155 . . A 1 -4.545 56.853 57.682 1 7.11 ? CG PHE 155 A 1 +ATOM 1173 C CD1 PHE 155 . . A 1 -4.762 58.218 57.957 1 7.24 ? CD1 PHE 155 A 1 +ATOM 1174 C CD2 PHE 155 . . A 1 -3.771 56.499 56.553 1 8.43 ? CD2 PHE 155 A 1 +ATOM 1175 C CE1 PHE 155 . . A 1 -4.2 59.206 57.133 1 6.69 ? CE1 PHE 155 A 1 +ATOM 1176 C CE2 PHE 155 . . A 1 -3.213 57.491 55.732 1 5.43 ? CE2 PHE 155 A 1 +ATOM 1177 C CZ PHE 155 . . A 1 -3.423 58.846 56.027 1 3.73 ? CZ PHE 155 A 1 +ATOM 1178 N N LEU 156 . . A 1 -8.224 53.988 59.25 1 5.3 ? N LEU 156 A 1 +ATOM 1179 C CA LEU 156 . . A 1 -8.702 52.738 59.857 1 8.53 ? CA LEU 156 A 1 +ATOM 1180 C C LEU 156 . . A 1 -8.566 51.683 58.777 1 8.36 ? C LEU 156 A 1 +ATOM 1181 O O LEU 156 . . A 1 -8.85 51.994 57.634 1 10.64 ? O LEU 156 A 1 +ATOM 1182 C CB LEU 156 . . A 1 -10.174 52.893 60.269 1 11.58 ? CB LEU 156 A 1 +ATOM 1183 C CG LEU 156 . . A 1 -10.789 51.648 60.921 1 9.96 ? CG LEU 156 A 1 +ATOM 1184 C CD1 LEU 156 . . A 1 -10.048 51.273 62.201 1 13.48 ? CD1 LEU 156 A 1 +ATOM 1185 C CD2 LEU 156 . . A 1 -12.269 51.889 61.218 1 11.63 ? CD2 LEU 156 A 1 +ATOM 1186 N N ALA 157 . . A 1 -8.18 50.451 59.089 1 8.96 ? N ALA 157 A 1 +ATOM 1187 C CA ALA 157 . . A 1 -8.007 49.543 57.969 1 8.75 ? CA ALA 157 A 1 +ATOM 1188 C C ALA 157 . . A 1 -8.408 48.094 58.168 1 12.3 ? C ALA 157 A 1 +ATOM 1189 O O ALA 157 . . A 1 -7.582 47.229 58.464 1 8.91 ? O ALA 157 A 1 +ATOM 1190 C CB ALA 157 . . A 1 -6.513 49.552 57.612 1 8.11 ? CB ALA 157 A 1 +ATOM 1191 N N LEU 158 . . A 1 -9.694 47.818 57.925 1 15.41 ? N LEU 158 A 1 +ATOM 1192 C CA LEU 158 . . A 1 -10.188 46.44 58.014 1 18.08 ? CA LEU 158 A 1 +ATOM 1193 C C LEU 158 . . A 1 -10 45.902 56.602 1 18.96 ? C LEU 158 A 1 +ATOM 1194 O O LEU 158 . . A 1 -10.913 45.777 55.804 1 19.4 ? O LEU 158 A 1 +ATOM 1195 C CB LEU 158 . . A 1 -11.651 46.445 58.445 1 16.34 ? CB LEU 158 A 1 +ATOM 1196 C CG LEU 158 . . A 1 -11.791 46.932 59.889 1 16.07 ? CG LEU 158 A 1 +ATOM 1197 C CD1 LEU 158 . . A 1 -13.179 47.487 60.148 1 16.62 ? CD1 LEU 158 A 1 +ATOM 1198 C CD2 LEU 158 . . A 1 -11.417 45.835 60.895 1 16.5 ? CD2 LEU 158 A 1 +ATOM 1199 N N HIS 159 . . A 1 -8.738 45.603 56.329 1 22.98 ? N HIS 159 A 1 +ATOM 1200 C CA HIS 159 . . A 1 -8.257 45.148 55.04 1 30.84 ? CA HIS 159 A 1 +ATOM 1201 C C HIS 159 . . A 1 -9.211 44.578 54.011 1 34.01 ? C HIS 159 A 1 +ATOM 1202 O O HIS 159 . . A 1 -9.41 45.223 52.986 1 40.62 ? O HIS 159 A 1 +ATOM 1203 C CB HIS 159 . . A 1 -6.949 44.348 55.106 1 38.7 ? CB HIS 159 A 1 +ATOM 1204 C CG HIS 159 . . A 1 -6.384 44.161 53.698 1 45.22 ? CG HIS 159 A 1 +ATOM 1205 N ND1 HIS 159 . . A 1 -6.542 45.038 52.67 1 47.49 ? ND1 HIS 159 A 1 +ATOM 1206 C CD2 HIS 159 . . A 1 -5.646 43.062 53.201 1 48.81 ? CD2 HIS 159 A 1 +ATOM 1207 C CE1 HIS 159 . . A 1 -5.92 44.506 51.599 1 48.99 ? CE1 HIS 159 A 1 +ATOM 1208 N NE2 HIS 159 . . A 1 -5.375 43.317 51.906 1 48.28 ? NE2 HIS 159 A 1 +ATOM 1209 N N GLY 160 . . A 1 -9.753 43.384 54.212 1 32.34 ? N GLY 160 A 1 +ATOM 1210 C CA GLY 160 . . A 1 -10.62 42.905 53.139 1 30.82 ? CA GLY 160 A 1 +ATOM 1211 C C GLY 160 . . A 1 -11.985 43.554 53.111 1 33.28 ? C GLY 160 A 1 +ATOM 1212 O O GLY 160 . . A 1 -12.973 42.851 52.919 1 37.69 ? O GLY 160 A 1 +ATOM 1213 N N SER 161 . . A 1 -12.084 44.86 53.31 1 32.25 ? N SER 161 A 1 +ATOM 1214 C CA SER 161 . . A 1 -13.387 45.468 53.317 1 33.51 ? CA SER 161 A 1 +ATOM 1215 C C SER 161 . . A 1 -13.352 46.684 52.425 1 34.9 ? C SER 161 A 1 +ATOM 1216 O O SER 161 . . A 1 -12.417 47.471 52.363 1 39.21 ? O SER 161 A 1 +ATOM 1217 C CB SER 161 . . A 1 -13.697 45.914 54.752 1 31.18 ? CB SER 161 A 1 +ATOM 1218 O OG SER 161 . . A 1 -15.002 46.512 54.807 1 36.26 ? OG SER 161 A 1 +ATOM 1219 N N GLN 162 . . A 1 -14.531 46.811 51.795 1 35.8 ? N GLN 162 A 1 +ATOM 1220 C CA GLN 162 . . A 1 -14.72 47.953 50.9 1 36.93 ? CA GLN 162 A 1 +ATOM 1221 C C GLN 162 . . A 1 -15.178 49.161 51.716 1 34.72 ? C GLN 162 A 1 +ATOM 1222 O O GLN 162 . . A 1 -15.019 50.319 51.367 1 36.56 ? O GLN 162 A 1 +ATOM 1223 C CB GLN 162 . . A 1 -15.836 47.628 49.86 1 39.31 ? CB GLN 162 A 1 +ATOM 1224 C CG GLN 162 . . A 1 -15.532 46.469 48.834 1 41.84 ? CG GLN 162 A 1 +ATOM 1225 N N GLU 163 . . A 1 -15.808 48.818 52.853 1 31.51 ? N GLU 163 A 1 +ATOM 1226 C CA GLU 163 . . A 1 -16.312 49.886 53.716 1 26.96 ? CA GLU 163 A 1 +ATOM 1227 C C GLU 163 . . A 1 -15.213 50.641 54.439 1 23.35 ? C GLU 163 A 1 +ATOM 1228 O O GLU 163 . . A 1 -15.34 51.82 54.704 1 26.46 ? O GLU 163 A 1 +ATOM 1229 C CB GLU 163 . . A 1 -17.382 49.341 54.675 1 29.38 ? CB GLU 163 A 1 +ATOM 1230 C CG GLU 163 . . A 1 -18.573 48.666 53.964 1 23.59 ? CG GLU 163 A 1 +ATOM 1231 C CD GLU 163 . . A 1 -19.228 49.607 52.977 1 23.58 ? CD GLU 163 A 1 +ATOM 1232 N N ALA 164 . . A 1 -14.15 49.927 54.793 1 16.59 ? N ALA 164 A 1 +ATOM 1233 C CA ALA 164 . . A 1 -13.012 50.549 55.458 1 15.06 ? CA ALA 164 A 1 +ATOM 1234 C C ALA 164 . . A 1 -11.768 49.786 54.98 1 16.71 ? C ALA 164 A 1 +ATOM 1235 O O ALA 164 . . A 1 -11.191 48.965 55.698 1 20.04 ? O ALA 164 A 1 +ATOM 1236 C CB ALA 164 . . A 1 -13.102 50.473 56.993 1 9.11 ? CB ALA 164 A 1 +ATOM 1237 N N PRO 165 . . A 1 -11.363 50.053 53.733 1 14.97 ? N PRO 165 A 1 +ATOM 1238 C CA PRO 165 . . A 1 -10.059 49.592 53.279 1 13.44 ? CA PRO 165 A 1 +ATOM 1239 C C PRO 165 . . A 1 -9.125 50.605 53.898 1 16.94 ? C PRO 165 A 1 +ATOM 1240 O O PRO 165 . . A 1 -9.521 51.684 54.341 1 23.84 ? O PRO 165 A 1 +ATOM 1241 C CB PRO 165 . . A 1 -10.132 49.788 51.767 1 14.41 ? CB PRO 165 A 1 +ATOM 1242 C CG PRO 165 . . A 1 -11.148 50.929 51.544 1 13.25 ? CG PRO 165 A 1 +ATOM 1243 C CD PRO 165 . . A 1 -12.055 50.921 52.779 1 11.35 ? CD PRO 165 A 1 +ATOM 1244 N N GLY 166 . . A 1 -7.847 50.29 53.93 1 14.46 ? N GLY 166 A 1 +ATOM 1245 C CA GLY 166 . . A 1 -7.054 51.348 54.567 1 15.06 ? CA GLY 166 A 1 +ATOM 1246 C C GLY 166 . . A 1 -6.75 52.485 53.617 1 10.6 ? C GLY 166 A 1 +ATOM 1247 O O GLY 166 . . A 1 -7.401 52.732 52.616 1 14.05 ? O GLY 166 A 1 +ATOM 1248 N N ASN 167 . . A 1 -5.69 53.192 53.974 1 6.94 ? N ASN 167 A 1 +ATOM 1249 C CA ASN 167 . . A 1 -5.128 54.278 53.193 1 3.98 ? CA ASN 167 A 1 +ATOM 1250 C C ASN 167 . . A 1 -6.064 55.306 52.602 1 5.66 ? C ASN 167 A 1 +ATOM 1251 O O ASN 167 . . A 1 -5.674 56.072 51.728 1 7.4 ? O ASN 167 A 1 +ATOM 1252 C CB ASN 167 . . A 1 -4.268 53.663 52.087 1 2 ? CB ASN 167 A 1 +ATOM 1253 C CG ASN 167 . . A 1 -3.276 52.695 52.707 1 8.15 ? CG ASN 167 A 1 +ATOM 1254 O OD1 ASN 167 . . A 1 -2.762 52.947 53.782 1 16.28 ? OD1 ASN 167 A 1 +ATOM 1255 N ND2 ASN 167 . . A 1 -3.023 51.567 52.071 1 7.46 ? ND2 ASN 167 A 1 +ATOM 1256 N N VAL 168 . . A 1 -7.279 55.39 53.11 1 6.08 ? N VAL 168 A 1 +ATOM 1257 C CA VAL 168 . . A 1 -8.209 56.344 52.551 1 8.29 ? CA VAL 168 A 1 +ATOM 1258 C C VAL 168 . . A 1 -7.717 57.784 52.574 1 10.31 ? C VAL 168 A 1 +ATOM 1259 O O VAL 168 . . A 1 -7.963 58.584 51.681 1 17.23 ? O VAL 168 A 1 +ATOM 1260 C CB VAL 168 . . A 1 -9.541 56.083 53.259 1 9.91 ? CB VAL 168 A 1 +ATOM 1261 C CG1 VAL 168 . . A 1 -10.541 57.207 53.16 1 7.1 ? CG1 VAL 168 A 1 +ATOM 1262 C CG2 VAL 168 . . A 1 -10.166 54.775 52.74 1 11.93 ? CG2 VAL 168 A 1 +ATOM 1263 N N GLY 169 . . A 1 -6.979 58.137 53.601 1 14.57 ? N GLY 169 A 1 +ATOM 1264 C CA GLY 169 . . A 1 -6.485 59.514 53.652 1 13.64 ? CA GLY 169 A 1 +ATOM 1265 C C GLY 169 . . A 1 -5.486 59.788 52.558 1 11.8 ? C GLY 169 A 1 +ATOM 1266 O O GLY 169 . . A 1 -5.331 60.897 52.058 1 12.92 ? O GLY 169 A 1 +ATOM 1267 N N LEU 170 . . A 1 -4.818 58.707 52.181 1 8 ? N LEU 170 A 1 +ATOM 1268 C CA LEU 170 . . A 1 -3.813 58.722 51.151 1 8.15 ? CA LEU 170 A 1 +ATOM 1269 C C LEU 170 . . A 1 -4.537 58.945 49.82 1 10.89 ? C LEU 170 A 1 +ATOM 1270 O O LEU 170 . . A 1 -4.164 59.742 48.956 1 10.83 ? O LEU 170 A 1 +ATOM 1271 C CB LEU 170 . . A 1 -3.015 57.415 51.312 1 5.68 ? CB LEU 170 A 1 +ATOM 1272 C CG LEU 170 . . A 1 -1.491 57.557 51.374 1 3.76 ? CG LEU 170 A 1 +ATOM 1273 C CD1 LEU 170 . . A 1 -0.946 58.687 52.256 1 4.84 ? CD1 LEU 170 A 1 +ATOM 1274 C CD2 LEU 170 . . A 1 -0.888 56.218 51.803 1 3.4 ? CD2 LEU 170 A 1 +ATOM 1275 N N LEU 171 . . A 1 -5.679 58.255 49.7 1 12.59 ? N LEU 171 A 1 +ATOM 1276 C CA LEU 171 . . A 1 -6.45 58.469 48.466 1 13.94 ? CA LEU 171 A 1 +ATOM 1277 C C LEU 171 . . A 1 -6.95 59.916 48.384 1 16.31 ? C LEU 171 A 1 +ATOM 1278 O O LEU 171 . . A 1 -6.981 60.529 47.327 1 22.51 ? O LEU 171 A 1 +ATOM 1279 C CB LEU 171 . . A 1 -7.633 57.509 48.325 1 6.31 ? CB LEU 171 A 1 +ATOM 1280 C CG LEU 171 . . A 1 -7.182 56.046 48.32 1 4.35 ? CG LEU 171 A 1 +ATOM 1281 C CD1 LEU 171 . . A 1 -8.382 55.107 48.295 1 10.78 ? CD1 LEU 171 A 1 +ATOM 1282 C CD2 LEU 171 . . A 1 -6.277 55.739 47.141 1 7.49 ? CD2 LEU 171 A 1 +ATOM 1283 N N ASP 172 . . A 1 -7.333 60.493 49.524 1 15.07 ? N ASP 172 A 1 +ATOM 1284 C CA ASP 172 . . A 1 -7.785 61.875 49.442 1 14.35 ? CA ASP 172 A 1 +ATOM 1285 C C ASP 172 . . A 1 -6.727 62.773 48.866 1 15.63 ? C ASP 172 A 1 +ATOM 1286 O O ASP 172 . . A 1 -7.038 63.722 48.161 1 18.63 ? O ASP 172 A 1 +ATOM 1287 C CB ASP 172 . . A 1 -8.118 62.497 50.799 1 18.99 ? CB ASP 172 A 1 +ATOM 1288 C CG ASP 172 . . A 1 -9.113 61.733 51.635 1 24.06 ? CG ASP 172 A 1 +ATOM 1289 O OD1 ASP 172 . . A 1 -9.846 60.915 51.094 1 26.06 ? OD1 ASP 172 A 1 +ATOM 1290 O OD2 ASP 172 . . A 1 -9.144 61.963 52.839 1 30.47 ? OD2 ASP 172 A 1 +ATOM 1291 N N GLN 173 . . A 1 -5.463 62.456 49.191 1 15.38 ? N GLN 173 A 1 +ATOM 1292 C CA GLN 173 . . A 1 -4.376 63.289 48.687 1 13.29 ? CA GLN 173 A 1 +ATOM 1293 C C GLN 173 . . A 1 -4.322 63.187 47.198 1 13.91 ? C GLN 173 A 1 +ATOM 1294 O O GLN 173 . . A 1 -4.22 64.154 46.457 1 14.44 ? O GLN 173 A 1 +ATOM 1295 C CB GLN 173 . . A 1 -3.008 62.871 49.249 1 10.88 ? CB GLN 173 A 1 +ATOM 1296 C CG GLN 173 . . A 1 -2.957 62.897 50.779 1 12.69 ? CG GLN 173 A 1 +ATOM 1297 C CD GLN 173 . . A 1 -1.554 62.665 51.307 1 12.03 ? CD GLN 173 A 1 +ATOM 1298 O OE1 GLN 173 . . A 1 -0.559 62.832 50.633 1 8.8 ? OE1 GLN 173 A 1 +ATOM 1299 N NE2 GLN 173 . . A 1 -1.48 62.303 52.567 1 17.3 ? NE2 GLN 173 A 1 +ATOM 1300 N N ARG 174 . . A 1 -4.424 61.93 46.775 1 14.81 ? N ARG 174 A 1 +ATOM 1301 C CA ARG 174 . . A 1 -4.386 61.661 45.346 1 13.15 ? CA ARG 174 A 1 +ATOM 1302 C C ARG 174 . . A 1 -5.47 62.412 44.626 1 11.65 ? C ARG 174 A 1 +ATOM 1303 O O ARG 174 . . A 1 -5.216 63.072 43.635 1 14.76 ? O ARG 174 A 1 +ATOM 1304 C CB ARG 174 . . A 1 -4.52 60.167 45.099 1 10.52 ? CB ARG 174 A 1 +ATOM 1305 C CG ARG 174 . . A 1 -4.373 59.751 43.646 1 7.57 ? CG ARG 174 A 1 +ATOM 1306 C CD ARG 174 . . A 1 -4.632 58.244 43.505 1 15.22 ? CD ARG 174 A 1 +ATOM 1307 N NE ARG 174 . . A 1 -3.503 57.506 44.014 1 12.35 ? NE ARG 174 A 1 +ATOM 1308 C CZ ARG 174 . . A 1 -3.431 56.166 44.057 1 16.56 ? CZ ARG 174 A 1 +ATOM 1309 N NH1 ARG 174 . . A 1 -4.5 55.388 43.885 1 13.82 ? NH1 ARG 174 A 1 +ATOM 1310 N NH2 ARG 174 . . A 1 -2.258 55.603 44.296 1 15.94 ? NH2 ARG 174 A 1 +ATOM 1311 N N MET 175 . . A 1 -6.692 62.313 45.14 1 9.23 ? N MET 175 A 1 +ATOM 1312 C CA MET 175 . . A 1 -7.79 63.018 44.507 1 9.52 ? CA MET 175 A 1 +ATOM 1313 C C MET 175 . . A 1 -7.516 64.506 44.372 1 11.08 ? C MET 175 A 1 +ATOM 1314 O O MET 175 . . A 1 -7.845 65.149 43.384 1 14.83 ? O MET 175 A 1 +ATOM 1315 C CB MET 175 . . A 1 -9.079 62.809 45.275 1 12.36 ? CB MET 175 A 1 +ATOM 1316 C CG MET 175 . . A 1 -10.28 63.432 44.559 1 17.99 ? CG MET 175 A 1 +ATOM 1317 S SD MET 175 . . A 1 -11.671 62.302 44.755 1 26.77 ? SD MET 175 A 1 +ATOM 1318 C CE MET 175 . . A 1 -11.147 61.18 43.418 1 23.6 ? CE MET 175 A 1 +ATOM 1319 N N ALA 176 . . A 1 -6.883 65.076 45.383 1 13.8 ? N ALA 176 A 1 +ATOM 1320 C CA ALA 176 . . A 1 -6.607 66.488 45.224 1 12.57 ? CA ALA 176 A 1 +ATOM 1321 C C ALA 176 . . A 1 -5.559 66.667 44.156 1 11.01 ? C ALA 176 A 1 +ATOM 1322 O O ALA 176 . . A 1 -5.618 67.616 43.404 1 14.19 ? O ALA 176 A 1 +ATOM 1323 C CB ALA 176 . . A 1 -6.152 67.113 46.519 1 15.81 ? CB ALA 176 A 1 +ATOM 1324 N N LEU 177 . . A 1 -4.603 65.74 44.08 1 12.4 ? N LEU 177 A 1 +ATOM 1325 C CA LEU 177 . . A 1 -3.565 65.816 43.039 1 15.13 ? CA LEU 177 A 1 +ATOM 1326 C C LEU 177 . . A 1 -4.202 65.733 41.646 1 17.24 ? C LEU 177 A 1 +ATOM 1327 O O LEU 177 . . A 1 -3.788 66.347 40.668 1 19.47 ? O LEU 177 A 1 +ATOM 1328 C CB LEU 177 . . A 1 -2.537 64.662 43.18 1 13.77 ? CB LEU 177 A 1 +ATOM 1329 C CG LEU 177 . . A 1 -1.163 64.996 43.81 1 9.51 ? CG LEU 177 A 1 +ATOM 1330 C CD1 LEU 177 . . A 1 -1.056 66.379 44.458 1 2.74 ? CD1 LEU 177 A 1 +ATOM 1331 C CD2 LEU 177 . . A 1 -0.756 63.887 44.783 1 8.15 ? CD2 LEU 177 A 1 +ATOM 1332 N N GLN 178 . . A 1 -5.261 64.929 41.573 1 17.82 ? N GLN 178 A 1 +ATOM 1333 C CA GLN 178 . . A 1 -5.959 64.804 40.312 1 14.51 ? CA GLN 178 A 1 +ATOM 1334 C C GLN 178 . . A 1 -6.584 66.124 39.954 1 13.43 ? C GLN 178 A 1 +ATOM 1335 O O GLN 178 . . A 1 -6.358 66.654 38.885 1 21.47 ? O GLN 178 A 1 +ATOM 1336 C CB GLN 178 . . A 1 -7.046 63.733 40.379 1 10.61 ? CB GLN 178 A 1 +ATOM 1337 C CG GLN 178 . . A 1 -7.709 63.438 39.027 1 18.8 ? CG GLN 178 A 1 +ATOM 1338 C CD GLN 178 . . A 1 -6.842 62.486 38.228 1 21.16 ? CD GLN 178 A 1 +ATOM 1339 O OE1 GLN 178 . . A 1 -6.622 61.349 38.61 1 25.52 ? OE1 GLN 178 A 1 +ATOM 1340 N NE2 GLN 178 . . A 1 -6.331 62.966 37.106 1 22.73 ? NE2 GLN 178 A 1 +ATOM 1341 N N TRP 179 . . A 1 -7.383 66.675 40.85 1 10.74 ? N TRP 179 A 1 +ATOM 1342 C CA TRP 179 . . A 1 -8.034 67.945 40.549 1 10.13 ? CA TRP 179 A 1 +ATOM 1343 C C TRP 179 . . A 1 -7.021 68.996 40.155 1 12 ? C TRP 179 A 1 +ATOM 1344 O O TRP 179 . . A 1 -7.252 69.795 39.264 1 19.76 ? O TRP 179 A 1 +ATOM 1345 C CB TRP 179 . . A 1 -8.838 68.399 41.776 1 10.49 ? CB TRP 179 A 1 +ATOM 1346 C CG TRP 179 . . A 1 -9.853 69.491 41.51 1 6.08 ? CG TRP 179 A 1 +ATOM 1347 C CD1 TRP 179 . . A 1 -11.25 69.295 41.381 1 9.25 ? CD1 TRP 179 A 1 +ATOM 1348 C CD2 TRP 179 . . A 1 -9.633 70.88 41.419 1 4.45 ? CD2 TRP 179 A 1 +ATOM 1349 N NE1 TRP 179 . . A 1 -11.899 70.487 41.223 1 8.77 ? NE1 TRP 179 A 1 +ATOM 1350 C CE2 TRP 179 . . A 1 -10.977 71.493 41.236 1 2.68 ? CE2 TRP 179 A 1 +ATOM 1351 C CE3 TRP 179 . . A 1 -8.5 71.697 41.465 1 2 ? CE3 TRP 179 A 1 +ATOM 1352 C CZ2 TRP 179 . . A 1 -11.1 72.872 41.112 1 2.18 ? CZ2 TRP 179 A 1 +ATOM 1353 C CZ3 TRP 179 . . A 1 -8.663 73.088 41.336 1 2.57 ? CZ3 TRP 179 A 1 +ATOM 1354 C CH2 TRP 179 . . A 1 -9.937 73.663 41.165 1 2 ? CH2 TRP 179 A 1 +ATOM 1355 N N VAL 180 . . A 1 -5.873 69.006 40.81 1 11.87 ? N VAL 180 A 1 +ATOM 1356 C CA VAL 180 . . A 1 -4.876 70.004 40.443 1 11.64 ? CA VAL 180 A 1 +ATOM 1357 C C VAL 180 . . A 1 -4.423 69.78 39.005 1 14.32 ? C VAL 180 A 1 +ATOM 1358 O O VAL 180 . . A 1 -4.296 70.711 38.218 1 14.72 ? O VAL 180 A 1 +ATOM 1359 C CB VAL 180 . . A 1 -3.729 69.94 41.459 1 5.95 ? CB VAL 180 A 1 +ATOM 1360 C CG1 VAL 180 . . A 1 -2.492 70.774 41.089 1 7.08 ? CG1 VAL 180 A 1 +ATOM 1361 C CG2 VAL 180 . . A 1 -4.286 70.381 42.817 1 9.69 ? CG2 VAL 180 A 1 +ATOM 1362 N N HIS 181 . . A 1 -4.209 68.51 38.675 1 15.12 ? N HIS 181 A 1 +ATOM 1363 C CA HIS 181 . . A 1 -3.773 68.124 37.336 1 17.44 ? CA HIS 181 A 1 +ATOM 1364 C C HIS 181 . . A 1 -4.755 68.548 36.26 1 17.59 ? C HIS 181 A 1 +ATOM 1365 O O HIS 181 . . A 1 -4.426 69.055 35.2 1 21.94 ? O HIS 181 A 1 +ATOM 1366 C CB HIS 181 . . A 1 -3.624 66.595 37.336 1 19.59 ? CB HIS 181 A 1 +ATOM 1367 C CG HIS 181 . . A 1 -3.014 66.035 36.074 1 25.78 ? CG HIS 181 A 1 +ATOM 1368 N ND1 HIS 181 . . A 1 -3.709 65.319 35.169 1 24.3 ? ND1 HIS 181 A 1 +ATOM 1369 C CD2 HIS 181 . . A 1 -1.65 66.07 35.68 1 30.09 ? CD2 HIS 181 A 1 +ATOM 1370 C CE1 HIS 181 . . A 1 -2.819 64.901 34.257 1 31.34 ? CE1 HIS 181 A 1 +ATOM 1371 N NE2 HIS 181 . . A 1 -1.573 65.342 34.544 1 35.14 ? NE2 HIS 181 A 1 +ATOM 1372 N N ASP 182 . . A 1 -6.016 68.345 36.586 1 16.68 ? N ASP 182 A 1 +ATOM 1373 C CA ASP 182 . . A 1 -7.076 68.676 35.656 1 17.41 ? CA ASP 182 A 1 +ATOM 1374 C C ASP 182 . . A 1 -7.573 70.11 35.729 1 19.32 ? C ASP 182 A 1 +ATOM 1375 O O ASP 182 . . A 1 -8.522 70.425 35.029 1 25.05 ? O ASP 182 A 1 +ATOM 1376 C CB ASP 182 . . A 1 -8.311 67.791 35.923 1 16.95 ? CB ASP 182 A 1 +ATOM 1377 C CG ASP 182 . . A 1 -8.047 66.296 35.756 1 24 ? CG ASP 182 A 1 +ATOM 1378 O OD1 ASP 182 . . A 1 -7.01 65.927 35.196 1 26.34 ? OD1 ASP 182 A 1 +ATOM 1379 O OD2 ASP 182 . . A 1 -8.894 65.503 36.173 1 23.74 ? OD2 ASP 182 A 1 +ATOM 1380 N N ASN 183 . . A 1 -7.035 70.994 36.574 1 14.46 ? N ASN 183 A 1 +ATOM 1381 C CA ASN 183 . . A 1 -7.651 72.321 36.518 1 9.77 ? CA ASN 183 A 1 +ATOM 1382 C C ASN 183 . . A 1 -6.696 73.42 36.867 1 14.26 ? C ASN 183 A 1 +ATOM 1383 O O ASN 183 . . A 1 -7.05 74.589 36.787 1 14.61 ? O ASN 183 A 1 +ATOM 1384 C CB ASN 183 . . A 1 -8.816 72.502 37.49 1 7.86 ? CB ASN 183 A 1 +ATOM 1385 C CG ASN 183 . . A 1 -9.939 71.512 37.343 1 13.76 ? CG ASN 183 A 1 +ATOM 1386 O OD1 ASN 183 . . A 1 -11.011 71.777 36.814 1 20.88 ? OD1 ASN 183 A 1 +ATOM 1387 N ND2 ASN 183 . . A 1 -9.696 70.337 37.881 1 19.16 ? ND2 ASN 183 A 1 +ATOM 1388 N N ILE 184 . . A 1 -5.451 73.094 37.22 1 15.04 ? N ILE 184 A 1 +ATOM 1389 C CA ILE 184 . . A 1 -4.58 74.188 37.591 1 15.27 ? CA ILE 184 A 1 +ATOM 1390 C C ILE 184 . . A 1 -4.324 75.187 36.459 1 20.74 ? C ILE 184 A 1 +ATOM 1391 O O ILE 184 . . A 1 -4.015 76.361 36.67 1 24.3 ? O ILE 184 A 1 +ATOM 1392 C CB ILE 184 . . A 1 -3.371 73.644 38.359 1 12.84 ? CB ILE 184 A 1 +ATOM 1393 C CG1 ILE 184 . . A 1 -2.721 74.747 39.222 1 14.79 ? CG1 ILE 184 A 1 +ATOM 1394 C CG2 ILE 184 . . A 1 -2.389 72.882 37.477 1 10.86 ? CG2 ILE 184 A 1 +ATOM 1395 C CD1 ILE 184 . . A 1 -3.634 75.214 40.373 1 14.42 ? CD1 ILE 184 A 1 +ATOM 1396 N N GLN 185 . . A 1 -4.498 74.683 35.222 1 21.09 ? N GLN 185 A 1 +ATOM 1397 C CA GLN 185 . . A 1 -4.327 75.498 34.02 1 18.39 ? CA GLN 185 A 1 +ATOM 1398 C C GLN 185 . . A 1 -5.223 76.718 34.082 1 18.63 ? C GLN 185 A 1 +ATOM 1399 O O GLN 185 . . A 1 -4.812 77.806 33.72 1 20.92 ? O GLN 185 A 1 +ATOM 1400 C CB GLN 185 . . A 1 -4.637 74.678 32.746 1 15.12 ? CB GLN 185 A 1 +ATOM 1401 C CG GLN 185 . . A 1 -5.989 73.945 32.83 1 19.6 ? CG GLN 185 A 1 +ATOM 1402 C CD GLN 185 . . A 1 -6.305 73.169 31.586 1 19.46 ? CD GLN 185 A 1 +ATOM 1403 O OE1 GLN 185 . . A 1 -6.282 71.952 31.557 1 24.41 ? OE1 GLN 185 A 1 +ATOM 1404 N NE2 GLN 185 . . A 1 -6.625 73.91 30.555 1 19.15 ? NE2 GLN 185 A 1 +ATOM 1405 N N PHE 186 . . A 1 -6.446 76.544 34.602 1 13.62 ? N PHE 186 A 1 +ATOM 1406 C CA PHE 186 . . A 1 -7.335 77.705 34.653 1 15.96 ? CA PHE 186 A 1 +ATOM 1407 C C PHE 186 . . A 1 -6.889 78.759 35.633 1 16.69 ? C PHE 186 A 1 +ATOM 1408 O O PHE 186 . . A 1 -7.435 79.855 35.684 1 18.51 ? O PHE 186 A 1 +ATOM 1409 C CB PHE 186 . . A 1 -8.799 77.332 34.931 1 18.39 ? CB PHE 186 A 1 +ATOM 1410 C CG PHE 186 . . A 1 -9.188 76.212 34.006 1 23.7 ? CG PHE 186 A 1 +ATOM 1411 C CD1 PHE 186 . . A 1 -9.287 76.437 32.624 1 23.43 ? CD1 PHE 186 A 1 +ATOM 1412 C CD2 PHE 186 . . A 1 -9.383 74.923 34.514 1 26.04 ? CD2 PHE 186 A 1 +ATOM 1413 C CE1 PHE 186 . . A 1 -9.56 75.372 31.761 1 22.42 ? CE1 PHE 186 A 1 +ATOM 1414 C CE2 PHE 186 . . A 1 -9.654 73.861 33.652 1 23.14 ? CE2 PHE 186 A 1 +ATOM 1415 C CZ PHE 186 . . A 1 -9.738 74.083 32.274 1 23.73 ? CZ PHE 186 A 1 +ATOM 1416 N N PHE 187 . . A 1 -5.879 78.411 36.429 1 15.55 ? N PHE 187 A 1 +ATOM 1417 C CA PHE 187 . . A 1 -5.357 79.346 37.407 1 14.1 ? CA PHE 187 A 1 +ATOM 1418 C C PHE 187 . . A 1 -3.978 79.81 36.991 1 13.32 ? C PHE 187 A 1 +ATOM 1419 O O PHE 187 . . A 1 -3.339 80.559 37.714 1 19.48 ? O PHE 187 A 1 +ATOM 1420 C CB PHE 187 . . A 1 -5.288 78.723 38.811 1 9.5 ? CB PHE 187 A 1 +ATOM 1421 C CG PHE 187 . . A 1 -6.641 78.3 39.334 1 4.66 ? CG PHE 187 A 1 +ATOM 1422 C CD1 PHE 187 . . A 1 -7.44 79.189 40.061 1 6.69 ? CD1 PHE 187 A 1 +ATOM 1423 C CD2 PHE 187 . . A 1 -7.114 76.999 39.104 1 6.8 ? CD2 PHE 187 A 1 +ATOM 1424 C CE1 PHE 187 . . A 1 -8.689 78.783 40.557 1 6.63 ? CE1 PHE 187 A 1 +ATOM 1425 C CE2 PHE 187 . . A 1 -8.361 76.586 39.595 1 5.03 ? CE2 PHE 187 A 1 +ATOM 1426 C CZ PHE 187 . . A 1 -9.154 77.48 40.325 1 3.61 ? CZ PHE 187 A 1 +ATOM 1427 N N GLY 188 . . A 1 -3.499 79.342 35.845 1 8.19 ? N GLY 188 A 1 +ATOM 1428 C CA GLY 188 . . A 1 -2.186 79.785 35.402 1 4.82 ? CA GLY 188 A 1 +ATOM 1429 C C GLY 188 . . A 1 -1.104 78.791 35.711 1 8.15 ? C GLY 188 A 1 +ATOM 1430 O O GLY 188 . . A 1 0.08 79.026 35.509 1 9.97 ? O GLY 188 A 1 +ATOM 1431 N N GLY 189 . . A 1 -1.481 77.614 36.203 1 8.79 ? N GLY 189 A 1 +ATOM 1432 C CA GLY 189 . . A 1 -0.411 76.673 36.528 1 13.76 ? CA GLY 189 A 1 +ATOM 1433 C C GLY 189 . . A 1 -0.188 75.661 35.446 1 16.62 ? C GLY 189 A 1 +ATOM 1434 O O GLY 189 . . A 1 -1.086 75.289 34.711 1 22.62 ? O GLY 189 A 1 +ATOM 1435 N N ASP 190 . . A 1 1.039 75.177 35.352 1 15.07 ? N ASP 190 A 1 +ATOM 1436 C CA ASP 190 . . A 1 1.391 74.193 34.349 1 13.98 ? CA ASP 190 A 1 +ATOM 1437 C C ASP 190 . . A 1 1.259 72.804 34.955 1 12.79 ? C ASP 190 A 1 +ATOM 1438 O O ASP 190 . . A 1 2.108 72.434 35.749 1 11.02 ? O ASP 190 A 1 +ATOM 1439 C CB ASP 190 . . A 1 2.866 74.426 33.998 1 15.65 ? CB ASP 190 A 1 +ATOM 1440 C CG ASP 190 . . A 1 3.469 73.435 33.006 1 23.99 ? CG ASP 190 A 1 +ATOM 1441 O OD1 ASP 190 . . A 1 2.841 72.443 32.626 1 21.26 ? OD1 ASP 190 A 1 +ATOM 1442 O OD2 ASP 190 . . A 1 4.602 73.669 32.608 1 34.62 ? OD2 ASP 190 A 1 +ATOM 1443 N N PRO 191 . . A 1 0.259 71.998 34.566 1 12.68 ? N PRO 191 A 1 +ATOM 1444 C CA PRO 191 . . A 1 0.122 70.66 35.15 1 16.22 ? CA PRO 191 A 1 +ATOM 1445 C C PRO 191 . . A 1 1.292 69.707 34.98 1 19 ? C PRO 191 A 1 +ATOM 1446 O O PRO 191 . . A 1 1.365 68.673 35.628 1 22.85 ? O PRO 191 A 1 +ATOM 1447 C CB PRO 191 . . A 1 -1.149 70.073 34.529 1 15.2 ? CB PRO 191 A 1 +ATOM 1448 C CG PRO 191 . . A 1 -1.519 71.005 33.364 1 13.76 ? CG PRO 191 A 1 +ATOM 1449 C CD PRO 191 . . A 1 -0.786 72.335 33.612 1 11.62 ? CD PRO 191 A 1 +ATOM 1450 N N LYS 192 . . A 1 2.204 70.064 34.084 1 21.61 ? N LYS 192 A 1 +ATOM 1451 C CA LYS 192 . . A 1 3.363 69.217 33.86 1 28.35 ? CA LYS 192 A 1 +ATOM 1452 C C LYS 192 . . A 1 4.542 69.661 34.684 1 27.64 ? C LYS 192 A 1 +ATOM 1453 O O LYS 192 . . A 1 5.659 69.192 34.486 1 23.51 ? O LYS 192 A 1 +ATOM 1454 C CB LYS 192 . . A 1 3.752 69.154 32.373 1 35.92 ? CB LYS 192 A 1 +ATOM 1455 C CG LYS 192 . . A 1 2.56 68.817 31.45 1 47.01 ? CG LYS 192 A 1 +ATOM 1456 C CD LYS 192 . . A 1 1.747 67.549 31.847 1 52.79 ? CD LYS 192 A 1 +ATOM 1457 C CE LYS 192 . . A 1 0.462 67.361 31.003 1 57.95 ? CE LYS 192 A 1 +ATOM 1458 N NZ LYS 192 . . A 1 -0.422 66.361 31.583 1 62 ? NZ LYS 192 A 1 +ATOM 1459 N N THR 193 . . A 1 4.303 70.605 35.598 1 29.06 ? N THR 193 A 1 +ATOM 1460 C CA THR 193 . . A 1 5.398 71.065 36.445 1 31.46 ? CA THR 193 A 1 +ATOM 1461 C C THR 193 . . A 1 4.927 71.348 37.86 1 28.81 ? C THR 193 A 1 +ATOM 1462 O O THR 193 . . A 1 5.159 72.434 38.382 1 30.32 ? O THR 193 A 1 +ATOM 1463 C CB THR 193 . . A 1 6.157 72.253 35.831 1 31.79 ? CB THR 193 A 1 +ATOM 1464 O OG1 THR 193 . . A 1 6.252 72.054 34.417 1 35.69 ? OG1 THR 193 A 1 +ATOM 1465 C CG2 THR 193 . . A 1 7.596 72.396 36.364 1 33.07 ? CG2 THR 193 A 1 +ATOM 1466 N N VAL 194 . . A 1 4.224 70.353 38.45 1 27.55 ? N VAL 194 A 1 +ATOM 1467 C CA VAL 194 . . A 1 3.775 70.498 39.821 1 23.61 ? CA VAL 194 A 1 +ATOM 1468 C C VAL 194 . . A 1 4.735 69.675 40.659 1 23.2 ? C VAL 194 A 1 +ATOM 1469 O O VAL 194 . . A 1 5.07 68.553 40.286 1 21.51 ? O VAL 194 A 1 +ATOM 1470 C CB VAL 194 . . A 1 2.301 70.058 40.037 1 18.62 ? CB VAL 194 A 1 +ATOM 1471 C CG1 VAL 194 . . A 1 1.364 70.532 38.913 1 23.81 ? CG1 VAL 194 A 1 +ATOM 1472 C CG2 VAL 194 . . A 1 2.127 68.549 40.147 1 18.56 ? CG2 VAL 194 A 1 +ATOM 1473 N N THR 195 . . A 1 5.167 70.242 41.773 1 24.74 ? N THR 195 A 1 +ATOM 1474 C CA THR 195 . . A 1 6.053 69.596 42.723 1 24.42 ? CA THR 195 A 1 +ATOM 1475 C C THR 195 . . A 1 5.24 69.404 44.033 1 21.5 ? C THR 195 A 1 +ATOM 1476 O O THR 195 . . A 1 4.592 70.33 44.517 1 23.06 ? O THR 195 A 1 +ATOM 1477 C CB THR 195 . . A 1 7.246 70.554 42.929 1 25.9 ? CB THR 195 A 1 +ATOM 1478 O OG1 THR 195 . . A 1 7.944 70.758 41.698 1 26.7 ? OG1 THR 195 A 1 +ATOM 1479 C CG2 THR 195 . . A 1 8.274 70.117 43.978 1 23.91 ? CG2 THR 195 A 1 +ATOM 1480 N N ILE 196 . . A 1 5.234 68.191 44.586 1 17.85 ? N ILE 196 A 1 +ATOM 1481 C CA ILE 196 . . A 1 4.52 68.008 45.837 1 13.44 ? CA ILE 196 A 1 +ATOM 1482 C C ILE 196 . . A 1 5.592 68.167 46.934 1 17.35 ? C ILE 196 A 1 +ATOM 1483 O O ILE 196 . . A 1 6.678 67.597 46.804 1 19.81 ? O ILE 196 A 1 +ATOM 1484 C CB ILE 196 . . A 1 3.856 66.618 45.882 1 4.26 ? CB ILE 196 A 1 +ATOM 1485 C CG1 ILE 196 . . A 1 4.785 65.463 45.468 1 2 ? CG1 ILE 196 A 1 +ATOM 1486 C CG2 ILE 196 . . A 1 2.594 66.612 45.039 1 3.52 ? CG2 ILE 196 A 1 +ATOM 1487 C CD1 ILE 196 . . A 1 4.19 64.075 45.727 1 2 ? CD1 ILE 196 A 1 +ATOM 1488 N N PHE 197 . . A 1 5.316 68.96 47.982 1 16.41 ? N PHE 197 A 1 +ATOM 1489 C CA PHE 197 . . A 1 6.277 69.12 49.077 1 15.7 ? CA PHE 197 A 1 +ATOM 1490 C C PHE 197 . . A 1 5.505 68.817 50.347 1 16.69 ? C PHE 197 A 1 +ATOM 1491 O O PHE 197 . . A 1 4.294 68.99 50.354 1 20.3 ? O PHE 197 A 1 +ATOM 1492 C CB PHE 197 . . A 1 7.093 70.444 49.051 1 14.78 ? CB PHE 197 A 1 +ATOM 1493 C CG PHE 197 . . A 1 6.459 71.814 49.265 1 11.75 ? CG PHE 197 A 1 +ATOM 1494 C CD1 PHE 197 . . A 1 5.179 72.144 48.782 1 8.99 ? CD1 PHE 197 A 1 +ATOM 1495 C CD2 PHE 197 . . A 1 7.204 72.808 49.944 1 6.26 ? CD2 PHE 197 A 1 +ATOM 1496 C CE1 PHE 197 . . A 1 4.653 73.437 48.985 1 9.05 ? CE1 PHE 197 A 1 +ATOM 1497 C CE2 PHE 197 . . A 1 6.683 74.095 50.142 1 5.01 ? CE2 PHE 197 A 1 +ATOM 1498 C CZ PHE 197 . . A 1 5.4 74.412 49.668 1 4.37 ? CZ PHE 197 A 1 +ATOM 1499 N N GLY 198 . . A 1 6.169 68.335 51.407 1 17.51 ? N GLY 198 A 1 +ATOM 1500 C CA GLY 198 . . A 1 5.44 68.026 52.652 1 14.35 ? CA GLY 198 A 1 +ATOM 1501 C C GLY 198 . . A 1 6.441 67.752 53.757 1 12.67 ? C GLY 198 A 1 +ATOM 1502 O O GLY 198 . . A 1 7.595 67.431 53.481 1 7.51 ? O GLY 198 A 1 +ATOM 1503 N N GLU 199 . . A 1 6.002 67.858 55.024 1 13.87 ? N GLU 199 A 1 +ATOM 1504 C CA GLU 199 . . A 1 6.901 67.638 56.174 1 11.81 ? CA GLU 199 A 1 +ATOM 1505 C C GLU 199 . . A 1 6.361 66.609 57.156 1 12.2 ? C GLU 199 A 1 +ATOM 1506 O O GLU 199 . . A 1 5.153 66.503 57.326 1 13.4 ? O GLU 199 A 1 +ATOM 1507 C CB GLU 199 . . A 1 7.09 68.986 56.878 1 11 ? CB GLU 199 A 1 +ATOM 1508 C CG GLU 199 . . A 1 8.063 69.009 58.069 1 16 ? CG GLU 199 A 1 +ATOM 1509 C CD GLU 199 . . A 1 7.362 68.769 59.401 1 15.2 ? CD GLU 199 A 1 +ATOM 1510 O OE1 GLU 199 . . A 1 6.154 68.632 59.412 1 17.52 ? OE1 GLU 199 A 1 +ATOM 1511 O OE2 GLU 199 . . A 1 8.012 68.711 60.431 1 11.72 ? OE2 GLU 199 A 1 +ATOM 1512 N N SER 200 . . A 1 7.242 65.857 57.833 1 11.87 ? N SER 200 A 1 +ATOM 1513 C CA SER 200 . . A 1 6.778 64.855 58.793 1 12.54 ? CA SER 200 A 1 +ATOM 1514 C C SER 200 . . A 1 5.938 63.86 58.001 1 12.69 ? C SER 200 A 1 +ATOM 1515 O O SER 200 . . A 1 6.403 63.292 57.025 1 15.4 ? O SER 200 A 1 +ATOM 1516 C CB SER 200 . . A 1 6.151 65.519 60.05 1 13.3 ? CB SER 200 A 1 +ATOM 1517 O OG SER 200 . . A 1 5.634 64.653 61.093 1 21.59 ? OG SER 200 A 1 +ATOM 1518 N N ALA 201 . . A 1 4.675 63.68 58.393 1 11.48 ? N ALA 201 A 1 +ATOM 1519 C CA ALA 201 . . A 1 3.821 62.741 57.676 1 10.52 ? CA ALA 201 A 1 +ATOM 1520 C C ALA 201 . . A 1 3.596 63.203 56.25 1 13.66 ? C ALA 201 A 1 +ATOM 1521 O O ALA 201 . . A 1 3.349 62.402 55.369 1 17.28 ? O ALA 201 A 1 +ATOM 1522 C CB ALA 201 . . A 1 2.477 62.545 58.374 1 10.33 ? CB ALA 201 A 1 +ATOM 1523 N N GLY 202 . . A 1 3.704 64.518 56.03 1 12.24 ? N GLY 202 A 1 +ATOM 1524 C CA GLY 202 . . A 1 3.539 65.025 54.675 1 12.84 ? CA GLY 202 A 1 +ATOM 1525 C C GLY 202 . . A 1 4.71 64.547 53.834 1 14.34 ? C GLY 202 A 1 +ATOM 1526 O O GLY 202 . . A 1 4.568 64 52.754 1 18.23 ? O GLY 202 A 1 +ATOM 1527 N N GLY 203 . . A 1 5.918 64.706 54.373 1 9.95 ? N GLY 203 A 1 +ATOM 1528 C CA GLY 203 . . A 1 7.081 64.248 53.628 1 6.16 ? CA GLY 203 A 1 +ATOM 1529 C C GLY 203 . . A 1 7.043 62.74 53.414 1 3.97 ? C GLY 203 A 1 +ATOM 1530 O O GLY 203 . . A 1 7.506 62.188 52.429 1 7.91 ? O GLY 203 A 1 +ATOM 1531 N N ALA 204 . . A 1 6.469 62.029 54.374 1 4.18 ? N ALA 204 A 1 +ATOM 1532 C CA ALA 204 . . A 1 6.396 60.587 54.173 1 5.94 ? CA ALA 204 A 1 +ATOM 1533 C C ALA 204 . . A 1 5.338 60.269 53.101 1 6.82 ? C ALA 204 A 1 +ATOM 1534 O O ALA 204 . . A 1 5.487 59.338 52.319 1 10.15 ? O ALA 204 A 1 +ATOM 1535 C CB ALA 204 . . A 1 6.106 59.837 55.485 1 4.71 ? CB ALA 204 A 1 +ATOM 1536 N N SER 205 . . A 1 4.261 61.055 53.073 1 5.33 ? N SER 205 A 1 +ATOM 1537 C CA SER 205 . . A 1 3.218 60.858 52.077 1 5.86 ? CA SER 205 A 1 +ATOM 1538 C C SER 205 . . A 1 3.78 61.076 50.653 1 8.2 ? C SER 205 A 1 +ATOM 1539 O O SER 205 . . A 1 3.547 60.32 49.715 1 8.05 ? O SER 205 A 1 +ATOM 1540 C CB SER 205 . . A 1 2.075 61.857 52.346 1 7.72 ? CB SER 205 A 1 +ATOM 1541 O OG SER 205 . . A 1 1.365 61.451 53.513 1 5.9 ? OG SER 205 A 1 +ATOM 1542 N N VAL 206 . . A 1 4.566 62.146 50.515 1 6.12 ? N VAL 206 A 1 +ATOM 1543 C CA VAL 206 . . A 1 5.196 62.469 49.256 1 2 ? CA VAL 206 A 1 +ATOM 1544 C C VAL 206 . . A 1 5.972 61.252 48.764 1 3.78 ? C VAL 206 A 1 +ATOM 1545 O O VAL 206 . . A 1 5.787 60.752 47.665 1 11.42 ? O VAL 206 A 1 +ATOM 1546 C CB VAL 206 . . A 1 6.055 63.713 49.507 1 2 ? CB VAL 206 A 1 +ATOM 1547 C CG1 VAL 206 . . A 1 7.097 63.956 48.444 1 2 ? CG1 VAL 206 A 1 +ATOM 1548 C CG2 VAL 206 . . A 1 5.182 64.976 49.697 1 2 ? CG2 VAL 206 A 1 +ATOM 1549 N N GLY 207 . . A 1 6.842 60.733 49.604 1 4.92 ? N GLY 207 A 1 +ATOM 1550 C CA GLY 207 . . A 1 7.56 59.553 49.153 1 5.92 ? CA GLY 207 A 1 +ATOM 1551 C C GLY 207 . . A 1 6.625 58.386 48.855 1 8.28 ? C GLY 207 A 1 +ATOM 1552 O O GLY 207 . . A 1 6.941 57.511 48.058 1 10.84 ? O GLY 207 A 1 +ATOM 1553 N N MET 208 . . A 1 5.454 58.37 49.497 1 7.2 ? N MET 208 A 1 +ATOM 1554 C CA MET 208 . . A 1 4.528 57.283 49.206 1 13.02 ? CA MET 208 A 1 +ATOM 1555 C C MET 208 . . A 1 3.913 57.475 47.828 1 14.81 ? C MET 208 A 1 +ATOM 1556 O O MET 208 . . A 1 3.509 56.511 47.199 1 18.28 ? O MET 208 A 1 +ATOM 1557 C CB MET 208 . . A 1 3.466 57.097 50.302 1 12.68 ? CB MET 208 A 1 +ATOM 1558 C CG MET 208 . . A 1 4.136 56.577 51.591 1 17.91 ? CG MET 208 A 1 +ATOM 1559 S SD MET 208 . . A 1 3.052 56.711 53.03 1 20.21 ? SD MET 208 A 1 +ATOM 1560 C CE MET 208 . . A 1 3.906 55.526 54.098 1 20.24 ? CE MET 208 A 1 +ATOM 1561 N N HIS 209 . . A 1 3.848 58.718 47.34 1 14.66 ? N HIS 209 A 1 +ATOM 1562 C CA HIS 209 . . A 1 3.291 58.947 45.996 1 11.19 ? CA HIS 209 A 1 +ATOM 1563 C C HIS 209 . . A 1 4.358 58.572 44.978 1 11.42 ? C HIS 209 A 1 +ATOM 1564 O O HIS 209 . . A 1 4.084 58.017 43.928 1 14.54 ? O HIS 209 A 1 +ATOM 1565 C CB HIS 209 . . A 1 2.747 60.365 45.814 1 5.09 ? CB HIS 209 A 1 +ATOM 1566 C CG HIS 209 . . A 1 1.485 60.551 46.643 1 10.19 ? CG HIS 209 A 1 +ATOM 1567 N ND1 HIS 209 . . A 1 1.229 61.615 47.439 1 6.95 ? ND1 HIS 209 A 1 +ATOM 1568 C CD2 HIS 209 . . A 1 0.35 59.703 46.712 1 11.14 ? CD2 HIS 209 A 1 +ATOM 1569 C CE1 HIS 209 . . A 1 -0.001 61.438 47.94 1 5.74 ? CE1 HIS 209 A 1 +ATOM 1570 N NE2 HIS 209 . . A 1 -0.557 60.293 47.518 1 9.38 ? NE2 HIS 209 A 1 +ATOM 1571 N N ILE 210 . . A 1 5.61 58.86 45.305 1 6.53 ? N ILE 210 A 1 +ATOM 1572 C CA ILE 210 . . A 1 6.673 58.44 44.411 1 3.94 ? CA ILE 210 A 1 +ATOM 1573 C C ILE 210 . . A 1 6.668 56.913 44.266 1 5.37 ? C ILE 210 A 1 +ATOM 1574 O O ILE 210 . . A 1 7.18 56.4 43.284 1 6.16 ? O ILE 210 A 1 +ATOM 1575 C CB ILE 210 . . A 1 8.032 58.884 45.019 1 2 ? CB ILE 210 A 1 +ATOM 1576 C CG1 ILE 210 . . A 1 8.188 60.403 44.963 1 2 ? CG1 ILE 210 A 1 +ATOM 1577 C CG2 ILE 210 . . A 1 9.267 58.176 44.438 1 2 ? CG2 ILE 210 A 1 +ATOM 1578 C CD1 ILE 210 . . A 1 9.641 60.86 45.13 1 2 ? CD1 ILE 210 A 1 +ATOM 1579 N N LEU 211 . . A 1 6.136 56.196 45.27 1 9.23 ? N LEU 211 A 1 +ATOM 1580 C CA LEU 211 . . A 1 6.13 54.723 45.227 1 11.06 ? CA LEU 211 A 1 +ATOM 1581 C C LEU 211 . . A 1 4.86 54.134 44.636 1 10.95 ? C LEU 211 A 1 +ATOM 1582 O O LEU 211 . . A 1 4.847 53.175 43.886 1 11.23 ? O LEU 211 A 1 +ATOM 1583 C CB LEU 211 . . A 1 6.248 54.128 46.66 1 12.8 ? CB LEU 211 A 1 +ATOM 1584 C CG LEU 211 . . A 1 7.587 54.369 47.402 1 13.52 ? CG LEU 211 A 1 +ATOM 1585 C CD1 LEU 211 . . A 1 7.445 54.183 48.916 1 17.51 ? CD1 LEU 211 A 1 +ATOM 1586 C CD2 LEU 211 . . A 1 8.665 53.413 46.916 1 12.1 ? CD2 LEU 211 A 1 +ATOM 1587 N N SER 212 . . A 1 3.736 54.704 45.013 1 14.7 ? N SER 212 A 1 +ATOM 1588 C CA SER 212 . . A 1 2.476 54.173 44.523 1 14.5 ? CA SER 212 A 1 +ATOM 1589 C C SER 212 . . A 1 2.337 54.386 43.025 1 21.75 ? C SER 212 A 1 +ATOM 1590 O O SER 212 . . A 1 2.259 55.534 42.568 1 21.93 ? O SER 212 A 1 +ATOM 1591 C CB SER 212 . . A 1 1.355 54.934 45.211 1 15.12 ? CB SER 212 A 1 +ATOM 1592 O OG SER 212 . . A 1 0.118 54.303 44.978 1 13.22 ? OG SER 212 A 1 +ATOM 1593 N N PRO 213 . . A 1 2.192 53.264 42.271 1 23.23 ? N PRO 213 A 1 +ATOM 1594 C CA PRO 213 . . A 1 1.945 53.349 40.829 1 21.02 ? CA PRO 213 A 1 +ATOM 1595 C C PRO 213 . . A 1 0.849 54.321 40.459 1 19.13 ? C PRO 213 A 1 +ATOM 1596 O O PRO 213 . . A 1 1.017 55.184 39.612 1 27.56 ? O PRO 213 A 1 +ATOM 1597 C CB PRO 213 . . A 1 1.602 51.919 40.393 1 20.29 ? CB PRO 213 A 1 +ATOM 1598 C CG PRO 213 . . A 1 2.09 51.014 41.535 1 28 ? CG PRO 213 A 1 +ATOM 1599 C CD PRO 213 . . A 1 2.252 51.897 42.783 1 25.05 ? CD PRO 213 A 1 +ATOM 1600 N N GLY 214 . . A 1 -0.279 54.169 41.142 1 14.82 ? N GLY 214 A 1 +ATOM 1601 C CA GLY 214 . . A 1 -1.396 55.057 40.855 1 11.73 ? CA GLY 214 A 1 +ATOM 1602 C C GLY 214 . . A 1 -1.131 56.562 40.981 1 16.73 ? C GLY 214 A 1 +ATOM 1603 O O GLY 214 . . A 1 -1.838 57.366 40.392 1 18.79 ? O GLY 214 A 1 +ATOM 1604 N N SER 215 . . A 1 -0.12 56.979 41.746 1 17.16 ? N SER 215 A 1 +ATOM 1605 C CA SER 215 . . A 1 0.068 58.425 41.839 1 16.69 ? CA SER 215 A 1 +ATOM 1606 C C SER 215 . . A 1 1.252 58.958 41.067 1 16.13 ? C SER 215 A 1 +ATOM 1607 O O SER 215 . . A 1 1.328 60.161 40.835 1 15.15 ? O SER 215 A 1 +ATOM 1608 C CB SER 215 . . A 1 0.333 58.824 43.298 1 18.02 ? CB SER 215 A 1 +ATOM 1609 O OG SER 215 . . A 1 -0.78 58.428 44.069 1 16.1 ? OG SER 215 A 1 +ATOM 1610 N N ARG 216 . . A 1 2.166 58.067 40.662 1 11.76 ? N ARG 216 A 1 +ATOM 1611 C CA ARG 216 . . A 1 3.365 58.553 39.993 1 7.47 ? CA ARG 216 A 1 +ATOM 1612 C C ARG 216 . . A 1 3.154 59.544 38.901 1 12.43 ? C ARG 216 A 1 +ATOM 1613 O O ARG 216 . . A 1 4.003 60.381 38.658 1 13.54 ? O ARG 216 A 1 +ATOM 1614 C CB ARG 216 . . A 1 4.172 57.414 39.365 1 3.07 ? CB ARG 216 A 1 +ATOM 1615 C CG ARG 216 . . A 1 4.511 56.315 40.358 1 4.23 ? CG ARG 216 A 1 +ATOM 1616 C CD ARG 216 . . A 1 5.389 55.216 39.79 1 3.04 ? CD ARG 216 A 1 +ATOM 1617 N NE ARG 216 . . A 1 5.359 54.129 40.725 1 5.69 ? NE ARG 216 A 1 +ATOM 1618 C CZ ARG 216 . . A 1 5.964 52.959 40.55 1 11.34 ? CZ ARG 216 A 1 +ATOM 1619 N NH1 ARG 216 . . A 1 6.79 52.725 39.536 1 14.95 ? NH1 ARG 216 A 1 +ATOM 1620 N NH2 ARG 216 . . A 1 5.701 52.009 41.433 1 13.59 ? NH2 ARG 216 A 1 +ATOM 1621 N N ASP 217 . . A 1 2 59.449 38.236 1 15 ? N ASP 217 A 1 +ATOM 1622 C CA ASP 217 . . A 1 1.829 60.353 37.105 1 19.24 ? CA ASP 217 A 1 +ATOM 1623 C C ASP 217 . . A 1 1.248 61.74 37.367 1 18.74 ? C ASP 217 A 1 +ATOM 1624 O O ASP 217 . . A 1 1.229 62.518 36.421 1 21.91 ? O ASP 217 A 1 +ATOM 1625 C CB ASP 217 . . A 1 0.959 59.675 36.016 1 23.06 ? CB ASP 217 A 1 +ATOM 1626 C CG ASP 217 . . A 1 1.414 58.278 35.549 1 25.62 ? CG ASP 217 A 1 +ATOM 1627 O OD1 ASP 217 . . A 1 2.548 57.88 35.829 1 22.78 ? OD1 ASP 217 A 1 +ATOM 1628 O OD2 ASP 217 . . A 1 0.623 57.592 34.893 1 22.82 ? OD2 ASP 217 A 1 +ATOM 1629 N N LEU 218 . . A 1 0.777 62.06 38.588 1 16.28 ? N LEU 218 A 1 +ATOM 1630 C CA LEU 218 . . A 1 0.167 63.379 38.791 1 7.33 ? CA LEU 218 A 1 +ATOM 1631 C C LEU 218 . . A 1 1.103 64.435 39.32 1 6.79 ? C LEU 218 A 1 +ATOM 1632 O O LEU 218 . . A 1 0.637 65.48 39.781 1 8.66 ? O LEU 218 A 1 +ATOM 1633 C CB LEU 218 . . A 1 -1.065 63.315 39.71 1 4.41 ? CB LEU 218 A 1 +ATOM 1634 C CG LEU 218 . . A 1 -2.056 62.222 39.286 1 5.15 ? CG LEU 218 A 1 +ATOM 1635 C CD1 LEU 218 . . A 1 -1.925 61.003 40.179 1 12.78 ? CD1 LEU 218 A 1 +ATOM 1636 C CD2 LEU 218 . . A 1 -3.501 62.692 39.304 1 9.62 ? CD2 LEU 218 A 1 +ATOM 1637 N N PHE 219 . . A 1 2.408 64.162 39.3 1 2 ? N PHE 219 A 1 +ATOM 1638 C CA PHE 219 . . A 1 3.315 65.184 39.796 1 3.78 ? CA PHE 219 A 1 +ATOM 1639 C C PHE 219 . . A 1 4.652 64.96 39.09 1 6.87 ? C PHE 219 A 1 +ATOM 1640 O O PHE 219 . . A 1 4.892 63.889 38.535 1 2 ? O PHE 219 A 1 +ATOM 1641 C CB PHE 219 . . A 1 3.368 65.195 41.347 1 3.53 ? CB PHE 219 A 1 +ATOM 1642 C CG PHE 219 . . A 1 3.986 63.928 41.898 1 2 ? CG PHE 219 A 1 +ATOM 1643 C CD1 PHE 219 . . A 1 3.212 62.771 42.06 1 2 ? CD1 PHE 219 A 1 +ATOM 1644 C CD2 PHE 219 . . A 1 5.364 63.892 42.168 1 2 ? CD2 PHE 219 A 1 +ATOM 1645 C CE1 PHE 219 . . A 1 3.828 61.581 42.454 1 2 ? CE1 PHE 219 A 1 +ATOM 1646 C CE2 PHE 219 . . A 1 5.977 62.707 42.564 1 2 ? CE2 PHE 219 A 1 +ATOM 1647 C CZ PHE 219 . . A 1 5.206 61.55 42.701 1 2 ? CZ PHE 219 A 1 +ATOM 1648 N N ARG 220 . . A 1 5.515 65.991 39.12 1 6.39 ? N ARG 220 A 1 +ATOM 1649 C CA ARG 220 . . A 1 6.808 65.884 38.44 1 9.97 ? CA ARG 220 A 1 +ATOM 1650 C C ARG 220 . . A 1 7.912 65.556 39.397 1 14.43 ? C ARG 220 A 1 +ATOM 1651 O O ARG 220 . . A 1 8.466 64.473 39.36 1 18.16 ? O ARG 220 A 1 +ATOM 1652 C CB ARG 220 . . A 1 7.108 67.173 37.64 1 12.04 ? CB ARG 220 A 1 +ATOM 1653 C CG ARG 220 . . A 1 8.271 67.027 36.635 1 15.91 ? CG ARG 220 A 1 +ATOM 1654 C CD ARG 220 . . A 1 8 67.797 35.337 1 19.43 ? CD ARG 220 A 1 +ATOM 1655 N NE ARG 220 . . A 1 9.148 67.726 34.445 1 22.8 ? NE ARG 220 A 1 +ATOM 1656 C CZ ARG 220 . . A 1 9.27 68.564 33.4 1 22.42 ? CZ ARG 220 A 1 +ATOM 1657 N NH1 ARG 220 . . A 1 8.375 69.516 33.153 1 20.61 ? NH1 ARG 220 A 1 +ATOM 1658 N NH2 ARG 220 . . A 1 10.321 68.455 32.605 1 25.46 ? NH2 ARG 220 A 1 +ATOM 1659 N N ARG 221 . . A 1 8.195 66.527 40.276 1 17.89 ? N ARG 221 A 1 +ATOM 1660 C CA ARG 221 . . A 1 9.258 66.383 41.266 1 17.22 ? CA ARG 221 A 1 +ATOM 1661 C C ARG 221 . . A 1 8.644 66.313 42.658 1 17.46 ? C ARG 221 A 1 +ATOM 1662 O O ARG 221 . . A 1 7.445 66.512 42.819 1 17.58 ? O ARG 221 A 1 +ATOM 1663 C CB ARG 221 . . A 1 10.161 67.625 41.216 1 19.05 ? CB ARG 221 A 1 +ATOM 1664 C CG ARG 221 . . A 1 10.647 68.028 39.816 1 16.37 ? CG ARG 221 A 1 +ATOM 1665 C CD ARG 221 . . A 1 11.06 69.518 39.785 1 28.68 ? CD ARG 221 A 1 +ATOM 1666 N NE ARG 221 . . A 1 10.931 70.103 38.46 1 33.55 ? NE ARG 221 A 1 +ATOM 1667 C CZ ARG 221 . . A 1 11.679 69.665 37.455 1 35.29 ? CZ ARG 221 A 1 +ATOM 1668 N NH1 ARG 221 . . A 1 12.631 68.772 37.692 1 34.37 ? NH1 ARG 221 A 1 +ATOM 1669 N NH2 ARG 221 . . A 1 11.456 70.112 36.218 1 36.84 ? NH2 ARG 221 A 1 +ATOM 1670 N N ALA 222 . . A 1 9.486 66.088 43.675 1 15.7 ? N ALA 222 A 1 +ATOM 1671 C CA ALA 222 . . A 1 8.963 66.034 45.036 1 13.29 ? CA ALA 222 A 1 +ATOM 1672 C C ALA 222 . . A 1 10.009 66.556 46.017 1 13.23 ? C ALA 222 A 1 +ATOM 1673 O O ALA 222 . . A 1 11.2 66.445 45.737 1 14.05 ? O ALA 222 A 1 +ATOM 1674 C CB ALA 222 . . A 1 8.669 64.583 45.397 1 9.62 ? CB ALA 222 A 1 +ATOM 1675 N N ILE 223 . . A 1 9.543 67.114 47.149 1 13.4 ? N ILE 223 A 1 +ATOM 1676 C CA ILE 223 . . A 1 10.397 67.622 48.233 1 11.2 ? CA ILE 223 A 1 +ATOM 1677 C C ILE 223 . . A 1 9.9 66.909 49.494 1 11.06 ? C ILE 223 A 1 +ATOM 1678 O O ILE 223 . . A 1 8.696 66.894 49.755 1 9.43 ? O ILE 223 A 1 +ATOM 1679 C CB ILE 223 . . A 1 10.267 69.139 48.446 1 7.01 ? CB ILE 223 A 1 +ATOM 1680 C CG1 ILE 223 . . A 1 10.63 69.951 47.196 1 8.53 ? CG1 ILE 223 A 1 +ATOM 1681 C CG2 ILE 223 . . A 1 11.073 69.602 49.656 1 6.83 ? CG2 ILE 223 A 1 +ATOM 1682 C CD1 ILE 223 . . A 1 10.706 71.477 47.4 1 2 ? CD1 ILE 223 A 1 +ATOM 1683 N N LEU 224 . . A 1 10.832 66.364 50.282 1 10.82 ? N LEU 224 A 1 +ATOM 1684 C CA LEU 224 . . A 1 10.454 65.636 51.504 1 10.14 ? CA LEU 224 A 1 +ATOM 1685 C C LEU 224 . . A 1 11.186 66.286 52.662 1 7.47 ? C LEU 224 A 1 +ATOM 1686 O O LEU 224 . . A 1 12.407 66.353 52.657 1 8.76 ? O LEU 224 A 1 +ATOM 1687 C CB LEU 224 . . A 1 10.856 64.138 51.432 1 9.75 ? CB LEU 224 A 1 +ATOM 1688 C CG LEU 224 . . A 1 10.162 63.329 50.311 1 4.79 ? CG LEU 224 A 1 +ATOM 1689 C CD1 LEU 224 . . A 1 10.817 63.512 48.939 1 5.18 ? CD1 LEU 224 A 1 +ATOM 1690 C CD2 LEU 224 . . A 1 10.126 61.833 50.641 1 2 ? CD2 LEU 224 A 1 +ATOM 1691 N N GLN 225 . . A 1 10.441 66.772 53.661 1 6.25 ? N GLN 225 A 1 +ATOM 1692 C CA GLN 225 . . A 1 11.071 67.435 54.809 1 5.17 ? CA GLN 225 A 1 +ATOM 1693 C C GLN 225 . . A 1 10.84 66.6 56.068 1 5.65 ? C GLN 225 A 1 +ATOM 1694 O O GLN 225 . . A 1 9.703 66.387 56.488 1 4.29 ? O GLN 225 A 1 +ATOM 1695 C CB GLN 225 . . A 1 10.491 68.867 54.981 1 6.19 ? CB GLN 225 A 1 +ATOM 1696 C CG GLN 225 . . A 1 10.039 69.499 53.638 1 9.69 ? CG GLN 225 A 1 +ATOM 1697 C CD GLN 225 . . A 1 9.983 71.001 53.631 1 7.42 ? CD GLN 225 A 1 +ATOM 1698 O OE1 GLN 225 . . A 1 8.963 71.66 53.579 1 11.52 ? OE1 GLN 225 A 1 +ATOM 1699 N NE2 GLN 225 . . A 1 11.165 71.555 53.655 1 14.31 ? NE2 GLN 225 A 1 +ATOM 1700 N N SER 226 . . A 1 11.935 66.119 56.667 1 7.22 ? N SER 226 A 1 +ATOM 1701 C CA SER 226 . . A 1 11.87 65.309 57.882 1 7.97 ? CA SER 226 A 1 +ATOM 1702 C C SER 226 . . A 1 10.855 64.187 57.79 1 9.27 ? C SER 226 A 1 +ATOM 1703 O O SER 226 . . A 1 10.069 63.996 58.704 1 14.08 ? O SER 226 A 1 +ATOM 1704 C CB SER 226 . . A 1 11.509 66.207 59.087 1 9.13 ? CB SER 226 A 1 +ATOM 1705 O OG SER 226 . . A 1 12.345 67.38 59.155 1 17.16 ? OG SER 226 A 1 +ATOM 1706 N N GLY 227 . . A 1 10.841 63.453 56.686 1 9.93 ? N GLY 227 A 1 +ATOM 1707 C CA GLY 227 . . A 1 9.866 62.365 56.553 1 10 ? CA GLY 227 A 1 +ATOM 1708 C C GLY 227 . . A 1 10.398 61.422 55.485 1 9.65 ? C GLY 227 A 1 +ATOM 1709 O O GLY 227 . . A 1 11.241 61.798 54.678 1 9.92 ? O GLY 227 A 1 +ATOM 1710 N N SER 228 . . A 1 9.934 60.186 55.475 1 4.61 ? N SER 228 A 1 +ATOM 1711 C CA SER 228 . . A 1 10.456 59.283 54.477 1 4.86 ? CA SER 228 A 1 +ATOM 1712 C C SER 228 . . A 1 9.499 58.143 54.546 1 8.96 ? C SER 228 A 1 +ATOM 1713 O O SER 228 . . A 1 9.098 57.836 55.653 1 14.21 ? O SER 228 A 1 +ATOM 1714 C CB SER 228 . . A 1 11.86 58.847 54.901 1 2.4 ? CB SER 228 A 1 +ATOM 1715 O OG SER 228 . . A 1 12.576 58.342 53.834 1 10.54 ? OG SER 228 A 1 +ATOM 1716 N N PRO 229 . . A 1 9.076 57.527 53.426 1 11.99 ? N PRO 229 A 1 +ATOM 1717 C CA PRO 229 . . A 1 7.931 56.615 53.484 1 9.6 ? CA PRO 229 A 1 +ATOM 1718 C C PRO 229 . . A 1 8.277 55.397 54.298 1 7.79 ? C PRO 229 A 1 +ATOM 1719 O O PRO 229 . . A 1 7.446 54.725 54.874 1 10.9 ? O PRO 229 A 1 +ATOM 1720 C CB PRO 229 . . A 1 7.694 56.249 52.014 1 10.02 ? CB PRO 229 A 1 +ATOM 1721 C CG PRO 229 . . A 1 9.027 56.508 51.286 1 11.62 ? CG PRO 229 A 1 +ATOM 1722 C CD PRO 229 . . A 1 9.709 57.613 52.107 1 11.57 ? CD PRO 229 A 1 +ATOM 1723 N N ASN 230 . . A 1 9.573 55.114 54.322 1 7.25 ? N ASN 230 A 1 +ATOM 1724 C CA ASN 230 . . A 1 10.101 53.963 55.035 1 6.94 ? CA ASN 230 A 1 +ATOM 1725 C C ASN 230 . . A 1 10.359 54.238 56.512 1 9.37 ? C ASN 230 A 1 +ATOM 1726 O O ASN 230 . . A 1 10.986 53.433 57.193 1 15.47 ? O ASN 230 A 1 +ATOM 1727 C CB ASN 230 . . A 1 11.407 53.456 54.369 1 2 ? CB ASN 230 A 1 +ATOM 1728 C CG ASN 230 . . A 1 12.516 54.501 54.448 1 6.77 ? CG ASN 230 A 1 +ATOM 1729 O OD1 ASN 230 . . A 1 12.303 55.69 54.241 1 2 ? OD1 ASN 230 A 1 +ATOM 1730 N ND2 ASN 230 . . A 1 13.72 54.047 54.77 1 11.81 ? ND2 ASN 230 A 1 +ATOM 1731 N N CYS 231 . . A 1 9.937 55.401 57.009 1 7.38 ? N CYS 231 A 1 +ATOM 1732 C CA CYS 231 . . A 1 10.172 55.654 58.423 1 5.55 ? CA CYS 231 A 1 +ATOM 1733 C C CYS 231 . . A 1 9.274 54.707 59.206 1 7.9 ? C CYS 231 A 1 +ATOM 1734 O O CYS 231 . . A 1 8.155 54.482 58.758 1 6.82 ? O CYS 231 A 1 +ATOM 1735 C CB CYS 231 . . A 1 9.735 57.072 58.763 1 2.72 ? CB CYS 231 A 1 +ATOM 1736 S SG CYS 231 . . A 1 10.98 58.262 58.302 1 16.21 ? SG CYS 231 A 1 +ATOM 1737 N N PRO 232 . . A 1 9.742 54.211 60.387 1 6.94 ? N PRO 232 A 1 +ATOM 1738 C CA PRO 232 . . A 1 9.078 53.113 61.078 1 6.07 ? CA PRO 232 A 1 +ATOM 1739 C C PRO 232 . . A 1 7.696 53.428 61.555 1 10.04 ? C PRO 232 A 1 +ATOM 1740 O O PRO 232 . . A 1 6.866 52.567 61.792 1 14.91 ? O PRO 232 A 1 +ATOM 1741 C CB PRO 232 . . A 1 9.964 52.84 62.296 1 3.63 ? CB PRO 232 A 1 +ATOM 1742 C CG PRO 232 . . A 1 10.918 54.028 62.451 1 2 ? CG PRO 232 A 1 +ATOM 1743 C CD PRO 232 . . A 1 10.904 54.738 61.101 1 6.31 ? CD PRO 232 A 1 +ATOM 1744 N N TRP 233 . . A 1 7.475 54.719 61.733 1 10.65 ? N TRP 233 A 1 +ATOM 1745 C CA TRP 233 . . A 1 6.176 55.128 62.214 1 10.28 ? CA TRP 233 A 1 +ATOM 1746 C C TRP 233 . . A 1 5.197 55.439 61.106 1 12.09 ? C TRP 233 A 1 +ATOM 1747 O O TRP 233 . . A 1 4.084 55.868 61.389 1 15.11 ? O TRP 233 A 1 +ATOM 1748 C CB TRP 233 . . A 1 6.341 56.372 63.088 1 7.96 ? CB TRP 233 A 1 +ATOM 1749 C CG TRP 233 . . A 1 7.222 57.386 62.399 1 7 ? CG TRP 233 A 1 +ATOM 1750 C CD1 TRP 233 . . A 1 8.621 57.518 62.583 1 9.69 ? CD1 TRP 233 A 1 +ATOM 1751 C CD2 TRP 233 . . A 1 6.822 58.383 61.495 1 5.75 ? CD2 TRP 233 A 1 +ATOM 1752 N NE1 TRP 233 . . A 1 9.099 58.558 61.845 1 9.36 ? NE1 TRP 233 A 1 +ATOM 1753 C CE2 TRP 233 . . A 1 8.057 59.138 61.158 1 6.32 ? CE2 TRP 233 A 1 +ATOM 1754 C CE3 TRP 233 . . A 1 5.602 58.746 60.911 1 4.33 ? CE3 TRP 233 A 1 +ATOM 1755 C CZ2 TRP 233 . . A 1 7.987 60.215 60.272 1 2 ? CZ2 TRP 233 A 1 +ATOM 1756 C CZ3 TRP 233 . . A 1 5.565 59.831 60.018 1 4.01 ? CZ3 TRP 233 A 1 +ATOM 1757 C CH2 TRP 233 . . A 1 6.738 60.552 59.709 1 5.7 ? CH2 TRP 233 A 1 +ATOM 1758 N N ALA 234 . . A 1 5.603 55.263 59.837 1 10.4 ? N ALA 234 A 1 +ATOM 1759 C CA ALA 234 . . A 1 4.664 55.613 58.762 1 10.23 ? CA ALA 234 A 1 +ATOM 1760 C C ALA 234 . . A 1 3.829 54.471 58.193 1 9.2 ? C ALA 234 A 1 +ATOM 1761 O O ALA 234 . . A 1 2.994 54.737 57.345 1 8.66 ? O ALA 234 A 1 +ATOM 1762 C CB ALA 234 . . A 1 5.389 56.299 57.601 1 9.92 ? CB ALA 234 A 1 +ATOM 1763 N N SER 235 . . A 1 4.009 53.214 58.584 1 9.85 ? N SER 235 A 1 +ATOM 1764 C CA SER 235 . . A 1 3.125 52.24 57.963 1 8.55 ? CA SER 235 A 1 +ATOM 1765 C C SER 235 . . A 1 2.925 51.041 58.838 1 11.23 ? C SER 235 A 1 +ATOM 1766 O O SER 235 . . A 1 3.702 50.831 59.755 1 14.24 ? O SER 235 A 1 +ATOM 1767 C CB SER 235 . . A 1 3.689 51.813 56.616 1 9.56 ? CB SER 235 A 1 +ATOM 1768 O OG SER 235 . . A 1 5.031 51.343 56.756 1 11.78 ? OG SER 235 A 1 +ATOM 1769 N N VAL 236 . . A 1 1.875 50.263 58.594 1 12.67 ? N VAL 236 A 1 +ATOM 1770 C CA VAL 236 . . A 1 1.665 49.054 59.377 1 12.89 ? CA VAL 236 A 1 +ATOM 1771 C C VAL 236 . . A 1 1.203 47.98 58.41 1 14.64 ? C VAL 236 A 1 +ATOM 1772 O O VAL 236 . . A 1 0.77 48.25 57.299 1 18.52 ? O VAL 236 A 1 +ATOM 1773 C CB VAL 236 . . A 1 0.694 49.23 60.562 1 13.36 ? CB VAL 236 A 1 +ATOM 1774 C CG1 VAL 236 . . A 1 1.252 50.234 61.568 1 9.32 ? CG1 VAL 236 A 1 +ATOM 1775 C CG2 VAL 236 . . A 1 -0.759 49.575 60.164 1 12.44 ? CG2 VAL 236 A 1 +ATOM 1776 N N SER 237 . . A 1 1.28 46.733 58.829 1 11.99 ? N SER 237 A 1 +ATOM 1777 C CA SER 237 . . A 1 0.841 45.682 57.934 1 14.87 ? CA SER 237 A 1 +ATOM 1778 C C SER 237 . . A 1 -0.664 45.589 58.008 1 16.44 ? C SER 237 A 1 +ATOM 1779 O O SER 237 . . A 1 -1.283 46.134 58.916 1 17.84 ? O SER 237 A 1 +ATOM 1780 C CB SER 237 . . A 1 1.473 44.359 58.355 1 20.46 ? CB SER 237 A 1 +ATOM 1781 O OG SER 237 . . A 1 1.233 44.181 59.749 1 31.59 ? OG SER 237 A 1 +ATOM 1782 N N VAL 238 . . A 1 -1.261 44.849 57.074 1 16.3 ? N VAL 238 A 1 +ATOM 1783 C CA VAL 238 . . A 1 -2.705 44.76 57.161 1 17.07 ? CA VAL 238 A 1 +ATOM 1784 C C VAL 238 . . A 1 -3.148 44.105 58.431 1 17.3 ? C VAL 238 A 1 +ATOM 1785 O O VAL 238 . . A 1 -4.183 44.417 59.005 1 20.67 ? O VAL 238 A 1 +ATOM 1786 C CB VAL 238 . . A 1 -3.267 44.082 55.922 1 13.86 ? CB VAL 238 A 1 +ATOM 1787 C CG1 VAL 238 . . A 1 -3.019 44.988 54.718 1 21.79 ? CG1 VAL 238 A 1 +ATOM 1788 C CG2 VAL 238 . . A 1 -2.649 42.709 55.657 1 20.71 ? CG2 VAL 238 A 1 +ATOM 1789 N N ALA 239 . . A 1 -2.299 43.184 58.874 1 16.88 ? N ALA 239 A 1 +ATOM 1790 C CA ALA 239 . . A 1 -2.651 42.491 60.097 1 19.71 ? CA ALA 239 A 1 +ATOM 1791 C C ALA 239 . . A 1 -2.739 43.451 61.258 1 22.34 ? C ALA 239 A 1 +ATOM 1792 O O ALA 239 . . A 1 -3.704 43.48 62.01 1 24.99 ? O ALA 239 A 1 +ATOM 1793 C CB ALA 239 . . A 1 -1.629 41.4 60.402 1 20.58 ? CB ALA 239 A 1 +ATOM 1794 N N GLU 240 . . A 1 -1.687 44.271 61.369 1 21.45 ? N GLU 240 A 1 +ATOM 1795 C CA GLU 240 . . A 1 -1.68 45.231 62.462 1 20.5 ? CA GLU 240 A 1 +ATOM 1796 C C GLU 240 . . A 1 -2.828 46.188 62.386 1 19.54 ? C GLU 240 A 1 +ATOM 1797 O O GLU 240 . . A 1 -3.458 46.502 63.378 1 22.06 ? O GLU 240 A 1 +ATOM 1798 C CB GLU 240 . . A 1 -0.36 46.019 62.554 1 23.57 ? CB GLU 240 A 1 +ATOM 1799 C CG GLU 240 . . A 1 0.418 45.679 63.843 1 30.3 ? CG GLU 240 A 1 +ATOM 1800 C CD GLU 240 . . A 1 -0.134 46.401 65.072 1 27.07 ? CD GLU 240 A 1 +ATOM 1801 O OE1 GLU 240 . . A 1 -1.308 46.735 65.099 1 26.76 ? OE1 GLU 240 A 1 +ATOM 1802 O OE2 GLU 240 . . A 1 0.622 46.643 65.998 1 28.68 ? OE2 GLU 240 A 1 +ATOM 1803 N N GLY 241 . . A 1 -3.095 46.672 61.187 1 19.6 ? N GLY 241 A 1 +ATOM 1804 C CA GLY 241 . . A 1 -4.201 47.607 61.081 1 17.71 ? CA GLY 241 A 1 +ATOM 1805 C C GLY 241 . . A 1 -5.484 46.963 61.526 1 16.81 ? C GLY 241 A 1 +ATOM 1806 O O GLY 241 . . A 1 -6.326 47.575 62.165 1 17.07 ? O GLY 241 A 1 +ATOM 1807 N N ARG 242 . . A 1 -5.615 45.674 61.211 1 18.59 ? N ARG 242 A 1 +ATOM 1808 C CA ARG 242 . . A 1 -6.839 45.009 61.63 1 21.59 ? CA ARG 242 A 1 +ATOM 1809 C C ARG 242 . . A 1 -6.91 44.993 63.144 1 22.77 ? C ARG 242 A 1 +ATOM 1810 O O ARG 242 . . A 1 -7.902 45.334 63.782 1 24.72 ? O ARG 242 A 1 +ATOM 1811 C CB ARG 242 . . A 1 -6.885 43.591 61.054 1 20.14 ? CB ARG 242 A 1 +ATOM 1812 C CG ARG 242 . . A 1 -8.24 42.915 61.291 1 27.41 ? CG ARG 242 A 1 +ATOM 1813 C CD ARG 242 . . A 1 -8.448 41.677 60.402 1 32.04 ? CD ARG 242 A 1 +ATOM 1814 N NE ARG 242 . . A 1 -8.83 42.067 59.05 1 38.93 ? NE ARG 242 A 1 +ATOM 1815 C CZ ARG 242 . . A 1 -10.099 42.372 58.735 1 42.03 ? CZ ARG 242 A 1 +ATOM 1816 N NH1 ARG 242 . . A 1 -11.063 42.318 59.65 1 41.27 ? NH1 ARG 242 A 1 +ATOM 1817 N NH2 ARG 242 . . A 1 -10.4 42.719 57.484 1 48.9 ? NH2 ARG 242 A 1 +ATOM 1818 N N ARG 243 . . A 1 -5.778 44.583 63.707 1 21.15 ? N ARG 243 A 1 +ATOM 1819 C CA ARG 243 . . A 1 -5.649 44.508 65.137 1 19.68 ? CA ARG 243 A 1 +ATOM 1820 C C ARG 243 . . A 1 -6.085 45.804 65.811 1 20.18 ? C ARG 243 A 1 +ATOM 1821 O O ARG 243 . . A 1 -6.945 45.824 66.687 1 22.86 ? O ARG 243 A 1 +ATOM 1822 C CB ARG 243 . . A 1 -4.203 44.175 65.49 1 25.56 ? CB ARG 243 A 1 +ATOM 1823 C CG ARG 243 . . A 1 -4.106 43.158 66.634 1 39.24 ? CG ARG 243 A 1 +ATOM 1824 C CD ARG 243 . . A 1 -2.964 43.359 67.672 1 50.63 ? CD ARG 243 A 1 +ATOM 1825 N NE ARG 243 . . A 1 -2.293 44.668 67.651 1 52.71 ? NE ARG 243 A 1 +ATOM 1826 C CZ ARG 243 . . A 1 -2.663 45.754 68.373 1 54.11 ? CZ ARG 243 A 1 +ATOM 1827 N NH1 ARG 243 . . A 1 -3.759 45.769 69.142 1 53.49 ? NH1 ARG 243 A 1 +ATOM 1828 N NH2 ARG 243 . . A 1 -1.899 46.844 68.331 1 52.99 ? NH2 ARG 243 A 1 +ATOM 1829 N N ARG 244 . . A 1 -5.476 46.905 65.381 1 14.29 ? N ARG 244 A 1 +ATOM 1830 C CA ARG 244 . . A 1 -5.837 48.182 65.98 1 13.22 ? CA ARG 244 A 1 +ATOM 1831 C C ARG 244 . . A 1 -7.269 48.582 65.667 1 18.25 ? C ARG 244 A 1 +ATOM 1832 O O ARG 244 . . A 1 -7.947 49.238 66.45 1 22.33 ? O ARG 244 A 1 +ATOM 1833 C CB ARG 244 . . A 1 -4.915 49.321 65.515 1 8.69 ? CB ARG 244 A 1 +ATOM 1834 C CG ARG 244 . . A 1 -3.44 48.987 65.728 1 3.14 ? CG ARG 244 A 1 +ATOM 1835 C CD ARG 244 . . A 1 -2.461 50.102 65.352 1 2 ? CD ARG 244 A 1 +ATOM 1836 N NE ARG 244 . . A 1 -1.132 49.595 65.636 1 2 ? NE ARG 244 A 1 +ATOM 1837 C CZ ARG 244 . . A 1 -0.019 50.311 65.467 1 4.07 ? CZ ARG 244 A 1 +ATOM 1838 N NH1 ARG 244 . . A 1 -0.037 51.595 65.109 1 3.12 ? NH1 ARG 244 A 1 +ATOM 1839 N NH2 ARG 244 . . A 1 1.148 49.721 65.664 1 3.18 ? NH2 ARG 244 A 1 +ATOM 1840 N N ALA 245 . . A 1 -7.734 48.17 64.494 1 19.86 ? N ALA 245 A 1 +ATOM 1841 C CA ALA 245 . . A 1 -9.075 48.541 64.107 1 18.78 ? CA ALA 245 A 1 +ATOM 1842 C C ALA 245 . . A 1 -10.095 47.949 65.022 1 20.84 ? C ALA 245 A 1 +ATOM 1843 O O ALA 245 . . A 1 -11.067 48.583 65.403 1 21.84 ? O ALA 245 A 1 +ATOM 1844 C CB ALA 245 . . A 1 -9.343 48.07 62.679 1 21.74 ? CB ALA 245 A 1 +ATOM 1845 N N VAL 246 . . A 1 -9.839 46.699 65.386 1 22.44 ? N VAL 246 A 1 +ATOM 1846 C CA VAL 246 . . A 1 -10.754 45.975 66.263 1 25.15 ? CA VAL 246 A 1 +ATOM 1847 C C VAL 246 . . A 1 -10.609 46.438 67.693 1 25.86 ? C VAL 246 A 1 +ATOM 1848 O O VAL 246 . . A 1 -11.558 46.574 68.455 1 26.45 ? O VAL 246 A 1 +ATOM 1849 C CB VAL 246 . . A 1 -10.494 44.47 66.075 1 23.34 ? CB VAL 246 A 1 +ATOM 1850 C CG1 VAL 246 . . A 1 -10.293 43.644 67.35 1 23.96 ? CG1 VAL 246 A 1 +ATOM 1851 C CG2 VAL 246 . . A 1 -11.575 43.874 65.168 1 29.5 ? CG2 VAL 246 A 1 +ATOM 1852 N N GLU 247 . . A 1 -9.357 46.691 68.063 1 28.05 ? N GLU 247 A 1 +ATOM 1853 C CA GLU 247 . . A 1 -9.075 47.151 69.409 1 23.29 ? CA GLU 247 A 1 +ATOM 1854 C C GLU 247 . . A 1 -9.797 48.444 69.684 1 19.74 ? C GLU 247 A 1 +ATOM 1855 O O GLU 247 . . A 1 -10.273 48.697 70.782 1 22.4 ? O GLU 247 A 1 +ATOM 1856 C CB GLU 247 . . A 1 -7.564 47.278 69.601 1 28.4 ? CB GLU 247 A 1 +ATOM 1857 C CG GLU 247 . . A 1 -7.144 47.345 71.067 1 40.09 ? CG GLU 247 A 1 +ATOM 1858 C CD GLU 247 . . A 1 -7.638 46.115 71.815 1 46.37 ? CD GLU 247 A 1 +ATOM 1859 O OE1 GLU 247 . . A 1 -7.74 45.049 71.196 1 45.76 ? OE1 GLU 247 A 1 +ATOM 1860 O OE2 GLU 247 . . A 1 -7.933 46.237 73.007 1 52.56 ? OE2 GLU 247 A 1 +ATOM 1861 N N LEU 248 . . A 1 -9.884 49.267 68.644 1 17.77 ? N LEU 248 A 1 +ATOM 1862 C CA LEU 248 . . A 1 -10.612 50.516 68.796 1 16.07 ? CA LEU 248 A 1 +ATOM 1863 C C LEU 248 . . A 1 -12.057 50.175 69.038 1 16.1 ? C LEU 248 A 1 +ATOM 1864 O O LEU 248 . . A 1 -12.733 50.697 69.906 1 18.19 ? O LEU 248 A 1 +ATOM 1865 C CB LEU 248 . . A 1 -10.54 51.368 67.524 1 13.23 ? CB LEU 248 A 1 +ATOM 1866 C CG LEU 248 . . A 1 -11.058 52.795 67.764 1 12.13 ? CG LEU 248 A 1 +ATOM 1867 C CD1 LEU 248 . . A 1 -10.051 53.618 68.579 1 21.34 ? CD1 LEU 248 A 1 +ATOM 1868 C CD2 LEU 248 . . A 1 -11.36 53.513 66.456 1 10.06 ? CD2 LEU 248 A 1 +ATOM 1869 N N GLY 249 . . A 1 -12.517 49.22 68.249 1 17.29 ? N GLY 249 A 1 +ATOM 1870 C CA GLY 249 . . A 1 -13.888 48.784 68.363 1 18.58 ? CA GLY 249 A 1 +ATOM 1871 C C GLY 249 . . A 1 -14.254 48.364 69.75 1 21.46 ? C GLY 249 A 1 +ATOM 1872 O O GLY 249 . . A 1 -15.311 48.718 70.259 1 19.7 ? O GLY 249 A 1 +ATOM 1873 N N ARG 250 . . A 1 -13.353 47.612 70.389 1 24.6 ? N ARG 250 A 1 +ATOM 1874 C CA ARG 250 . . A 1 -13.712 47.195 71.734 1 29.78 ? CA ARG 250 A 1 +ATOM 1875 C C ARG 250 . . A 1 -13.672 48.348 72.707 1 28.84 ? C ARG 250 A 1 +ATOM 1876 O O ARG 250 . . A 1 -14.412 48.351 73.672 1 32.85 ? O ARG 250 A 1 +ATOM 1877 C CB ARG 250 . . A 1 -13 45.921 72.197 1 31.65 ? CB ARG 250 A 1 +ATOM 1878 C CG ARG 250 . . A 1 -11.564 46.095 72.694 1 38.32 ? CG ARG 250 A 1 +ATOM 1879 C CD ARG 250 . . A 1 -10.716 44.826 72.51 1 42.1 ? CD ARG 250 A 1 +ATOM 1880 N NE ARG 250 . . A 1 -11.511 43.603 72.529 1 47.16 ? NE ARG 250 A 1 +ATOM 1881 C CZ ARG 250 . . A 1 -11.06 42.488 71.919 1 52.25 ? CZ ARG 250 A 1 +ATOM 1882 N NH1 ARG 250 . . A 1 -9.846 42.455 71.36 1 51.05 ? NH1 ARG 250 A 1 +ATOM 1883 N NH2 ARG 250 . . A 1 -11.833 41.398 71.868 1 54.19 ? NH2 ARG 250 A 1 +ATOM 1884 N N ASN 251 . . A 1 -12.838 49.354 72.455 1 27.17 ? N ASN 251 A 1 +ATOM 1885 C CA ASN 251 . . A 1 -12.85 50.482 73.4 1 27.75 ? CA ASN 251 A 1 +ATOM 1886 C C ASN 251 . . A 1 -14.185 51.219 73.329 1 24.12 ? C ASN 251 A 1 +ATOM 1887 O O ASN 251 . . A 1 -14.548 51.915 74.259 1 23.52 ? O ASN 251 A 1 +ATOM 1888 C CB ASN 251 . . A 1 -11.711 51.511 73.204 1 32.09 ? CB ASN 251 A 1 +ATOM 1889 C CG ASN 251 . . A 1 -10.356 51.085 73.755 1 34.22 ? CG ASN 251 A 1 +ATOM 1890 O OD1 ASN 251 . . A 1 -9.71 51.814 74.491 1 37.29 ? OD1 ASN 251 A 1 +ATOM 1891 N ND2 ASN 251 . . A 1 -9.902 49.886 73.399 1 34.04 ? ND2 ASN 251 A 1 +ATOM 1892 N N LEU 252 . . A 1 -14.909 51.094 72.209 1 24.55 ? N LEU 252 A 1 +ATOM 1893 C CA LEU 252 . . A 1 -16.217 51.752 72.133 1 25.74 ? CA LEU 252 A 1 +ATOM 1894 C C LEU 252 . . A 1 -17.323 50.719 72.346 1 26.48 ? C LEU 252 A 1 +ATOM 1895 O O LEU 252 . . A 1 -18.519 50.958 72.198 1 23.35 ? O LEU 252 A 1 +ATOM 1896 C CB LEU 252 . . A 1 -16.488 52.49 70.818 1 25.9 ? CB LEU 252 A 1 +ATOM 1897 C CG LEU 252 . . A 1 -15.578 53.685 70.503 1 28.99 ? CG LEU 252 A 1 +ATOM 1898 C CD1 LEU 252 . . A 1 -15.508 54.707 71.638 1 28.34 ? CD1 LEU 252 A 1 +ATOM 1899 C CD2 LEU 252 . . A 1 -14.181 53.256 70.045 1 33.43 ? CD2 LEU 252 A 1 +ATOM 1900 N N ASN 253 . . A 1 -16.888 49.519 72.719 1 30.95 ? N ASN 253 A 1 +ATOM 1901 C CA ASN 253 . . A 1 -17.778 48.392 72.987 1 36.81 ? CA ASN 253 A 1 +ATOM 1902 C C ASN 253 . . A 1 -18.655 48.03 71.804 1 34.3 ? C ASN 253 A 1 +ATOM 1903 O O ASN 253 . . A 1 -19.84 47.745 71.914 1 31.53 ? O ASN 253 A 1 +ATOM 1904 C CB ASN 253 . . A 1 -18.562 48.511 74.327 1 41.04 ? CB ASN 253 A 1 +ATOM 1905 C CG ASN 253 . . A 1 -19.823 49.371 74.216 1 46.22 ? CG ASN 253 A 1 +ATOM 1906 N N CYS 254 . . A 1 -18.026 48.082 70.65 1 35.23 ? N CYS 254 A 1 +ATOM 1907 C CA CYS 254 . . A 1 -18.746 47.74 69.444 1 36.37 ? CA CYS 254 A 1 +ATOM 1908 C C CYS 254 . . A 1 -18.806 46.251 69.356 1 40.41 ? C CYS 254 A 1 +ATOM 1909 O O CYS 254 . . A 1 -17.977 45.558 69.928 1 42.26 ? O CYS 254 A 1 +ATOM 1910 C CB CYS 254 . . A 1 -17.968 48.234 68.238 1 29.99 ? CB CYS 254 A 1 +ATOM 1911 S SG CYS 254 . . A 1 -18.232 49.996 68.077 1 22.76 ? SG CYS 254 A 1 +ATOM 1912 N N ASN 255 . . A 1 -19.809 45.776 68.607 1 40.92 ? N ASN 255 A 1 +ATOM 1913 C CA ASN 255 . . A 1 -19.98 44.344 68.396 1 40.55 ? CA ASN 255 A 1 +ATOM 1914 C C ASN 255 . . A 1 -18.837 43.974 67.487 1 39.35 ? C ASN 255 A 1 +ATOM 1915 O O ASN 255 . . A 1 -18.743 44.576 66.427 1 38.2 ? O ASN 255 A 1 +ATOM 1916 C CB ASN 255 . . A 1 -21.341 44.116 67.707 1 42.22 ? CB ASN 255 A 1 +ATOM 1917 C CG ASN 255 . . A 1 -21.585 42.672 67.309 1 42.69 ? CG ASN 255 A 1 +ATOM 1918 O OD1 ASN 255 . . A 1 -20.725 41.998 66.773 1 44.86 ? OD1 ASN 255 A 1 +ATOM 1919 N ND2 ASN 255 . . A 1 -22.792 42.19 67.567 1 44.25 ? ND2 ASN 255 A 1 +ATOM 1920 N N LEU 256 . . A 1 -17.98 43.038 67.899 1 39.51 ? N LEU 256 A 1 +ATOM 1921 C CA LEU 256 . . A 1 -16.841 42.692 67.051 1 42.33 ? CA LEU 256 A 1 +ATOM 1922 C C LEU 256 . . A 1 -16.977 41.364 66.324 1 44.21 ? C LEU 256 A 1 +ATOM 1923 O O LEU 256 . . A 1 -15.986 40.706 66.026 1 47.32 ? O LEU 256 A 1 +ATOM 1924 C CB LEU 256 . . A 1 -15.527 42.636 67.853 1 43.59 ? CB LEU 256 A 1 +ATOM 1925 C CG LEU 256 . . A 1 -15.167 43.899 68.662 1 47.1 ? CG LEU 256 A 1 +ATOM 1926 C CD1 LEU 256 . . A 1 -15.667 43.837 70.112 1 50.25 ? CD1 LEU 256 A 1 +ATOM 1927 C CD2 LEU 256 . . A 1 -13.648 44.085 68.684 1 49.35 ? CD2 LEU 256 A 1 +ATOM 1928 N N ASN 257 . . A 1 -18.209 40.954 66.04 1 44.93 ? N ASN 257 A 1 +ATOM 1929 C CA ASN 257 . . A 1 -18.446 39.689 65.349 1 45.58 ? CA ASN 257 A 1 +ATOM 1930 C C ASN 257 . . A 1 -18.19 39.77 63.848 1 45.23 ? C ASN 257 A 1 +ATOM 1931 O O ASN 257 . . A 1 -18.074 38.772 63.153 1 44.48 ? O ASN 257 A 1 +ATOM 1932 C CB ASN 257 . . A 1 -19.885 39.22 65.621 1 47.18 ? CB ASN 257 A 1 +ATOM 1933 N N SER 258 . . A 1 -18.108 40.983 63.317 1 47.53 ? N SER 258 A 1 +ATOM 1934 C CA SER 258 . . A 1 -17.875 41.086 61.879 1 46.62 ? CA SER 258 A 1 +ATOM 1935 C C SER 258 . . A 1 -17.447 42.492 61.525 1 45.93 ? C SER 258 A 1 +ATOM 1936 O O SER 258 . . A 1 -17.716 43.454 62.239 1 45.45 ? O SER 258 A 1 +ATOM 1937 C CB SER 258 . . A 1 -19.177 40.743 61.13 1 48.28 ? CB SER 258 A 1 +ATOM 1938 O OG SER 258 . . A 1 -20.272 41.439 61.741 1 49.1 ? OG SER 258 A 1 +ATOM 1939 N N ASP 259 . . A 1 -16.807 42.611 60.356 1 43.15 ? N ASP 259 A 1 +ATOM 1940 C CA ASP 259 . . A 1 -16.392 43.96 59.967 1 39.16 ? CA ASP 259 A 1 +ATOM 1941 C C ASP 259 . . A 1 -17.603 44.839 59.743 1 36.02 ? C ASP 259 A 1 +ATOM 1942 O O ASP 259 . . A 1 -17.582 46.03 59.962 1 34.56 ? O ASP 259 A 1 +ATOM 1943 C CB ASP 259 . . A 1 -15.51 44.013 58.702 1 37.85 ? CB ASP 259 A 1 +ATOM 1944 C CG ASP 259 . . A 1 -14.228 43.207 58.821 1 39.63 ? CG ASP 259 A 1 +ATOM 1945 O OD1 ASP 259 . . A 1 -13.947 42.697 59.903 1 42.63 ? OD1 ASP 259 A 1 +ATOM 1946 O OD2 ASP 259 . . A 1 -13.511 43.092 57.827 1 40.96 ? OD2 ASP 259 A 1 +ATOM 1947 N N GLU 260 . . A 1 -18.687 44.211 59.313 1 34.31 ? N GLU 260 A 1 +ATOM 1948 C CA GLU 260 . . A 1 -19.893 44.978 59.06 1 34.44 ? CA GLU 260 A 1 +ATOM 1949 C C GLU 260 . . A 1 -20.438 45.628 60.31 1 34.84 ? C GLU 260 A 1 +ATOM 1950 O O GLU 260 . . A 1 -20.857 46.782 60.338 1 32.9 ? O GLU 260 A 1 +ATOM 1951 C CB GLU 260 . . A 1 -20.997 44.034 58.553 1 35.01 ? CB GLU 260 A 1 +ATOM 1952 N N GLU 261 . . A 1 -20.432 44.797 61.367 1 34.19 ? N GLU 261 A 1 +ATOM 1953 C CA GLU 261 . . A 1 -20.95 45.244 62.649 1 32 ? CA GLU 261 A 1 +ATOM 1954 C C GLU 261 . . A 1 -20.023 46.281 63.25 1 31.67 ? C GLU 261 A 1 +ATOM 1955 O O GLU 261 . . A 1 -20.417 47.345 63.73 1 31.79 ? O GLU 261 A 1 +ATOM 1956 C CB GLU 261 . . A 1 -21.191 44.038 63.594 1 35.52 ? CB GLU 261 A 1 +ATOM 1957 C CG GLU 261 . . A 1 -22.578 43.336 63.399 1 32.88 ? CG GLU 261 A 1 +ATOM 1958 N N LEU 262 . . A 1 -18.747 45.931 63.201 1 27.26 ? N LEU 262 A 1 +ATOM 1959 C CA LEU 262 . . A 1 -17.738 46.803 63.731 1 23.27 ? CA LEU 262 A 1 +ATOM 1960 C C LEU 262 . . A 1 -17.801 48.161 63.07 1 25.58 ? C LEU 262 A 1 +ATOM 1961 O O LEU 262 . . A 1 -17.867 49.203 63.706 1 29.63 ? O LEU 262 A 1 +ATOM 1962 C CB LEU 262 . . A 1 -16.39 46.126 63.49 1 23.67 ? CB LEU 262 A 1 +ATOM 1963 C CG LEU 262 . . A 1 -15.172 46.989 63.827 1 24.34 ? CG LEU 262 A 1 +ATOM 1964 C CD1 LEU 262 . . A 1 -15.243 47.536 65.25 1 31.17 ? CD1 LEU 262 A 1 +ATOM 1965 C CD2 LEU 262 . . A 1 -13.881 46.193 63.629 1 25.63 ? CD2 LEU 262 A 1 +ATOM 1966 N N ILE 263 . . A 1 -17.818 48.13 61.749 1 25.88 ? N ILE 263 A 1 +ATOM 1967 C CA ILE 263 . . A 1 -17.847 49.358 60.975 1 28.49 ? CA ILE 263 A 1 +ATOM 1968 C C ILE 263 . . A 1 -19.124 50.128 61.189 1 31.31 ? C ILE 263 A 1 +ATOM 1969 O O ILE 263 . . A 1 -19.069 51.329 61.404 1 33.92 ? O ILE 263 A 1 +ATOM 1970 C CB ILE 263 . . A 1 -17.535 49.065 59.487 1 24.74 ? CB ILE 263 A 1 +ATOM 1971 C CG1 ILE 263 . . A 1 -16.059 48.644 59.363 1 22.96 ? CG1 ILE 263 A 1 +ATOM 1972 C CG2 ILE 263 . . A 1 -17.839 50.236 58.544 1 19.49 ? CG2 ILE 263 A 1 +ATOM 1973 C CD1 ILE 263 . . A 1 -15.716 48.015 58.015 1 19.48 ? CD1 ILE 263 A 1 +ATOM 1974 N N HIS 264 . . A 1 -20.278 49.455 61.149 1 33.61 ? N HIS 264 A 1 +ATOM 1975 C CA HIS 264 . . A 1 -21.518 50.205 61.354 1 38.39 ? CA HIS 264 A 1 +ATOM 1976 C C HIS 264 . . A 1 -21.444 50.922 62.677 1 37.97 ? C HIS 264 A 1 +ATOM 1977 O O HIS 264 . . A 1 -21.759 52.098 62.833 1 40.86 ? O HIS 264 A 1 +ATOM 1978 C CB HIS 264 . . A 1 -22.772 49.289 61.292 1 48.98 ? CB HIS 264 A 1 +ATOM 1979 C CG HIS 264 . . A 1 -23.998 49.912 61.975 1 61.06 ? CG HIS 264 A 1 +ATOM 1980 N ND1 HIS 264 . . A 1 -24.607 51.064 61.597 1 64.46 ? ND1 HIS 264 A 1 +ATOM 1981 C CD2 HIS 264 . . A 1 -24.674 49.438 63.133 1 65.12 ? CD2 HIS 264 A 1 +ATOM 1982 C CE1 HIS 264 . . A 1 -25.606 51.285 62.475 1 66.51 ? CE1 HIS 264 A 1 +ATOM 1983 N NE2 HIS 264 . . A 1 -25.661 50.319 63.41 1 67.54 ? NE2 HIS 264 A 1 +ATOM 1984 N N CYS 265 . . A 1 -20.976 50.147 63.64 1 32.83 ? N CYS 265 A 1 +ATOM 1985 C CA CYS 265 . . A 1 -20.856 50.683 64.969 1 29.03 ? CA CYS 265 A 1 +ATOM 1986 C C CYS 265 . . A 1 -20.017 51.947 64.991 1 27.28 ? C CYS 265 A 1 +ATOM 1987 O O CYS 265 . . A 1 -20.428 53.001 65.464 1 30.45 ? O CYS 265 A 1 +ATOM 1988 C CB CYS 265 . . A 1 -20.271 49.584 65.84 1 29.44 ? CB CYS 265 A 1 +ATOM 1989 S SG CYS 265 . . A 1 -20.203 50.034 67.584 1 30.11 ? SG CYS 265 A 1 +ATOM 1990 N N LEU 266 . . A 1 -18.829 51.837 64.402 1 22.45 ? N LEU 266 A 1 +ATOM 1991 C CA LEU 266 . . A 1 -17.952 52.988 64.39 1 20.17 ? CA LEU 266 A 1 +ATOM 1992 C C LEU 266 . . A 1 -18.529 54.142 63.596 1 21.08 ? C LEU 266 A 1 +ATOM 1993 O O LEU 266 . . A 1 -18.179 55.288 63.818 1 22.26 ? O LEU 266 A 1 +ATOM 1994 C CB LEU 266 . . A 1 -16.566 52.593 63.86 1 13.8 ? CB LEU 266 A 1 +ATOM 1995 C CG LEU 266 . . A 1 -15.856 51.541 64.743 1 9.35 ? CG LEU 266 A 1 +ATOM 1996 C CD1 LEU 266 . . A 1 -14.74 50.835 63.993 1 6.6 ? CD1 LEU 266 A 1 +ATOM 1997 C CD2 LEU 266 . . A 1 -15.281 52.153 66.026 1 11.99 ? CD2 LEU 266 A 1 +ATOM 1998 N N ARG 267 . . A 1 -19.415 53.842 62.651 1 25.36 ? N ARG 267 A 1 +ATOM 1999 C CA ARG 267 . . A 1 -19.995 54.917 61.85 1 28.09 ? CA ARG 267 A 1 +ATOM 2000 C C ARG 267 . . A 1 -21.064 55.661 62.61 1 29 ? C ARG 267 A 1 +ATOM 2001 O O ARG 267 . . A 1 -21.477 56.728 62.177 1 30.66 ? O ARG 267 A 1 +ATOM 2002 C CB ARG 267 . . A 1 -20.549 54.436 60.474 1 29.47 ? CB ARG 267 A 1 +ATOM 2003 C CG ARG 267 . . A 1 -19.486 53.801 59.531 1 29.74 ? CG ARG 267 A 1 +ATOM 2004 C CD ARG 267 . . A 1 -19.493 54.271 58.048 1 31.57 ? CD ARG 267 A 1 +ATOM 2005 N NE ARG 267 . . A 1 -20.047 53.252 57.148 1 29.99 ? NE ARG 267 A 1 +ATOM 2006 C CZ ARG 267 . . A 1 -19.349 52.606 56.184 1 29.62 ? CZ ARG 267 A 1 +ATOM 2007 N NH1 ARG 267 . . A 1 -18.071 52.858 55.912 1 21.41 ? NH1 ARG 267 A 1 +ATOM 2008 N NH2 ARG 267 . . A 1 -19.958 51.667 55.468 1 32.91 ? NH2 ARG 267 A 1 +ATOM 2009 N N GLU 268 . . A 1 -21.536 55.071 63.718 1 30.51 ? N GLU 268 A 1 +ATOM 2010 C CA GLU 268 . . A 1 -22.578 55.737 64.515 1 31.71 ? CA GLU 268 A 1 +ATOM 2011 C C GLU 268 . . A 1 -21.981 56.554 65.625 1 32.42 ? C GLU 268 A 1 +ATOM 2012 O O GLU 268 . . A 1 -22.645 57.4 66.212 1 36.23 ? O GLU 268 A 1 +ATOM 2013 C CB GLU 268 . . A 1 -23.553 54.751 65.201 1 32.99 ? CB GLU 268 A 1 +ATOM 2014 C CG GLU 268 . . A 1 -24.478 53.994 64.216 1 40.92 ? CG GLU 268 A 1 +ATOM 2015 N N LYS 269 . . A 1 -20.727 56.248 65.966 1 30.23 ? N LYS 269 A 1 +ATOM 2016 C CA LYS 269 . . A 1 -20.136 57.002 67.048 1 28.67 ? CA LYS 269 A 1 +ATOM 2017 C C LYS 269 . . A 1 -19.852 58.419 66.608 1 27.17 ? C LYS 269 A 1 +ATOM 2018 O O LYS 269 . . A 1 -19.518 58.714 65.474 1 28.28 ? O LYS 269 A 1 +ATOM 2019 C CB LYS 269 . . A 1 -18.853 56.308 67.49 1 31.35 ? CB LYS 269 A 1 +ATOM 2020 C CG LYS 269 . . A 1 -19.103 54.88 67.994 1 35.61 ? CG LYS 269 A 1 +ATOM 2021 C CD LYS 269 . . A 1 -19.619 54.834 69.447 1 42.51 ? CD LYS 269 A 1 +ATOM 2022 C CE LYS 269 . . A 1 -19.981 53.407 69.892 1 46.28 ? CE LYS 269 A 1 +ATOM 2023 N NZ LYS 269 . . A 1 -21.133 52.934 69.153 1 51.59 ? NZ LYS 269 A 1 +ATOM 2024 N N LYS 270 . . A 1 -19.979 59.33 67.561 1 25.86 ? N LYS 270 A 1 +ATOM 2025 C CA LYS 270 . . A 1 -19.709 60.724 67.236 1 25.82 ? CA LYS 270 A 1 +ATOM 2026 C C LYS 270 . . A 1 -18.202 60.845 67.06 1 25.56 ? C LYS 270 A 1 +ATOM 2027 O O LYS 270 . . A 1 -17.471 60.112 67.724 1 28.89 ? O LYS 270 A 1 +ATOM 2028 C CB LYS 270 . . A 1 -20.179 61.623 68.394 1 29.72 ? CB LYS 270 A 1 +ATOM 2029 C CG LYS 270 . . A 1 -21.486 61.133 69.055 1 34.57 ? CG LYS 270 A 1 +ATOM 2030 N N PRO 271 . . A 1 -17.728 61.788 66.223 1 21.99 ? N PRO 271 A 1 +ATOM 2031 C CA PRO 271 . . A 1 -16.312 61.825 65.882 1 19.77 ? CA PRO 271 A 1 +ATOM 2032 C C PRO 271 . . A 1 -15.406 61.873 67.097 1 19.51 ? C PRO 271 A 1 +ATOM 2033 O O PRO 271 . . A 1 -14.427 61.145 67.208 1 18.77 ? O PRO 271 A 1 +ATOM 2034 C CB PRO 271 . . A 1 -16.15 63.032 64.951 1 17.86 ? CB PRO 271 A 1 +ATOM 2035 C CG PRO 271 . . A 1 -17.502 63.772 64.96 1 19.7 ? CG PRO 271 A 1 +ATOM 2036 C CD PRO 271 . . A 1 -18.527 62.824 65.588 1 21.39 ? CD PRO 271 A 1 +ATOM 2037 N N GLN 272 . . A 1 -15.781 62.747 68.045 1 20.44 ? N GLN 272 A 1 +ATOM 2038 C CA GLN 272 . . A 1 -14.959 62.861 69.255 1 20.29 ? CA GLN 272 A 1 +ATOM 2039 C C GLN 272 . . A 1 -14.813 61.567 70.024 1 16.35 ? C GLN 272 A 1 +ATOM 2040 O O GLN 272 . . A 1 -13.796 61.346 70.659 1 14.98 ? O GLN 272 A 1 +ATOM 2041 C CB GLN 272 . . A 1 -15.424 63.988 70.206 1 25.23 ? CB GLN 272 A 1 +ATOM 2042 C CG GLN 272 . . A 1 -14.716 65.336 69.967 1 35.78 ? CG GLN 272 A 1 +ATOM 2043 C CD GLN 272 . . A 1 -13.264 65.246 70.428 1 40.78 ? CD GLN 272 A 1 +ATOM 2044 O OE1 GLN 272 . . A 1 -12.922 64.449 71.287 1 41.42 ? OE1 GLN 272 A 1 +ATOM 2045 N NE2 GLN 272 . . A 1 -12.403 66.076 69.832 1 43.62 ? NE2 GLN 272 A 1 +ATOM 2046 N N GLU 273 . . A 1 -15.814 60.683 69.974 1 15.06 ? N GLU 273 A 1 +ATOM 2047 C CA GLU 273 . . A 1 -15.616 59.448 70.732 1 16.59 ? CA GLU 273 A 1 +ATOM 2048 C C GLU 273 . . A 1 -14.449 58.688 70.17 1 17.35 ? C GLU 273 A 1 +ATOM 2049 O O GLU 273 . . A 1 -13.67 58.105 70.916 1 18.34 ? O GLU 273 A 1 +ATOM 2050 C CB GLU 273 . . A 1 -16.839 58.526 70.737 1 19.35 ? CB GLU 273 A 1 +ATOM 2051 C CG GLU 273 . . A 1 -17.982 59.089 71.591 1 26.28 ? CG GLU 273 A 1 +ATOM 2052 C CD GLU 273 . . A 1 -19.28 58.34 71.341 1 32.07 ? CD GLU 273 A 1 +ATOM 2053 O OE1 GLU 273 . . A 1 -19.991 58.685 70.392 1 31.44 ? OE1 GLU 273 A 1 +ATOM 2054 O OE2 GLU 273 . . A 1 -19.578 57.42 72.102 1 35.54 ? OE2 GLU 273 A 1 +ATOM 2055 N N LEU 274 . . A 1 -14.342 58.737 68.832 1 17.24 ? N LEU 274 A 1 +ATOM 2056 C CA LEU 274 . . A 1 -13.243 58.017 68.201 1 16.07 ? CA LEU 274 A 1 +ATOM 2057 C C LEU 274 . . A 1 -11.927 58.632 68.622 1 12.97 ? C LEU 274 A 1 +ATOM 2058 O O LEU 274 . . A 1 -10.984 57.957 69.004 1 16.28 ? O LEU 274 A 1 +ATOM 2059 C CB LEU 274 . . A 1 -13.388 57.989 66.664 1 19.09 ? CB LEU 274 A 1 +ATOM 2060 C CG LEU 274 . . A 1 -14.568 57.105 66.157 1 21.29 ? CG LEU 274 A 1 +ATOM 2061 C CD1 LEU 274 . . A 1 -15.439 57.817 65.127 1 18.9 ? CD1 LEU 274 A 1 +ATOM 2062 C CD2 LEU 274 . . A 1 -14.099 55.763 65.575 1 19.75 ? CD2 LEU 274 A 1 +ATOM 2063 N N ILE 275 . . A 1 -11.874 59.954 68.582 1 9.96 ? N ILE 275 A 1 +ATOM 2064 C CA ILE 275 . . A 1 -10.621 60.576 68.97 1 9.89 ? CA ILE 275 A 1 +ATOM 2065 C C ILE 275 . . A 1 -10.229 60.26 70.403 1 13.55 ? C ILE 275 A 1 +ATOM 2066 O O ILE 275 . . A 1 -9.072 59.954 70.664 1 17.07 ? O ILE 275 A 1 +ATOM 2067 C CB ILE 275 . . A 1 -10.652 62.094 68.769 1 11.57 ? CB ILE 275 A 1 +ATOM 2068 C CG1 ILE 275 . . A 1 -11.319 62.423 67.42 1 2.17 ? CG1 ILE 275 A 1 +ATOM 2069 C CG2 ILE 275 . . A 1 -9.236 62.708 68.908 1 9.05 ? CG2 ILE 275 A 1 +ATOM 2070 C CD1 ILE 275 . . A 1 -11.178 63.888 67.037 1 6.35 ? CD1 ILE 275 A 1 +ATOM 2071 N N ASP 276 . . A 1 -11.214 60.323 71.312 1 13.66 ? N ASP 276 A 1 +ATOM 2072 C CA ASP 276 . . A 1 -10.967 60.055 72.736 1 9.99 ? CA ASP 276 A 1 +ATOM 2073 C C ASP 276 . . A 1 -10.209 58.755 72.987 1 9.78 ? C ASP 276 A 1 +ATOM 2074 O O ASP 276 . . A 1 -9.256 58.728 73.749 1 15.86 ? O ASP 276 A 1 +ATOM 2075 C CB ASP 276 . . A 1 -12.268 60.066 73.579 1 6.67 ? CB ASP 276 A 1 +ATOM 2076 C CG ASP 276 . . A 1 -12.935 61.437 73.832 1 13.34 ? CG ASP 276 A 1 +ATOM 2077 O OD1 ASP 276 . . A 1 -12.247 62.466 73.816 1 11.05 ? OD1 ASP 276 A 1 +ATOM 2078 O OD2 ASP 276 . . A 1 -14.149 61.465 74.08 1 12.5 ? OD2 ASP 276 A 1 +ATOM 2079 N N VAL 277 . . A 1 -10.607 57.654 72.345 1 10.57 ? N VAL 277 A 1 +ATOM 2080 C CA VAL 277 . . A 1 -9.861 56.422 72.639 1 11.18 ? CA VAL 277 A 1 +ATOM 2081 C C VAL 277 . . A 1 -8.818 56.096 71.598 1 9.73 ? C VAL 277 A 1 +ATOM 2082 O O VAL 277 . . A 1 -8.168 55.065 71.658 1 6.66 ? O VAL 277 A 1 +ATOM 2083 C CB VAL 277 . . A 1 -10.844 55.258 72.819 1 12 ? CB VAL 277 A 1 +ATOM 2084 C CG1 VAL 277 . . A 1 -11.716 55.499 74.059 1 14.32 ? CG1 VAL 277 A 1 +ATOM 2085 C CG2 VAL 277 . . A 1 -11.75 55.051 71.604 1 14.63 ? CG2 VAL 277 A 1 +ATOM 2086 N N GLU 278 . . A 1 -8.644 56.991 70.636 1 13.19 ? N GLU 278 A 1 +ATOM 2087 C CA GLU 278 . . A 1 -7.692 56.76 69.568 1 15.23 ? CA GLU 278 A 1 +ATOM 2088 C C GLU 278 . . A 1 -6.29 56.328 70.024 1 17.91 ? C GLU 278 A 1 +ATOM 2089 O O GLU 278 . . A 1 -5.709 55.38 69.506 1 17.63 ? O GLU 278 A 1 +ATOM 2090 C CB GLU 278 . . A 1 -7.666 58.018 68.686 1 14.05 ? CB GLU 278 A 1 +ATOM 2091 C CG GLU 278 . . A 1 -6.897 57.868 67.363 1 22.36 ? CG GLU 278 A 1 +ATOM 2092 C CD GLU 278 . . A 1 -6.148 59.113 66.886 1 24.06 ? CD GLU 278 A 1 +ATOM 2093 O OE1 GLU 278 . . A 1 -6.613 60.233 67.11 1 17.72 ? OE1 GLU 278 A 1 +ATOM 2094 O OE2 GLU 278 . . A 1 -5.08 58.936 66.29 1 29.64 ? OE2 GLU 278 A 1 +ATOM 2095 N N TRP 279 . . A 1 -5.748 56.995 71.039 1 19.53 ? N TRP 279 A 1 +ATOM 2096 C CA TRP 279 . . A 1 -4.375 56.663 71.456 1 23.58 ? CA TRP 279 A 1 +ATOM 2097 C C TRP 279 . . A 1 -4.326 55.378 72.305 1 21.75 ? C TRP 279 A 1 +ATOM 2098 O O TRP 279 . . A 1 -3.27 54.887 72.685 1 20.15 ? O TRP 279 A 1 +ATOM 2099 C CB TRP 279 . . A 1 -3.626 57.911 72.073 1 27.83 ? CB TRP 279 A 1 +ATOM 2100 C CG TRP 279 . . A 1 -3.609 59.185 71.18 1 45.87 ? CG TRP 279 A 1 +ATOM 2101 C CD1 TRP 279 . . A 1 -4.6 59.611 70.245 1 51.14 ? CD1 TRP 279 A 1 +ATOM 2102 C CD2 TRP 279 . . A 1 -2.638 60.215 71.124 1 51.75 ? CD2 TRP 279 A 1 +ATOM 2103 N NE1 TRP 279 . . A 1 -4.32 60.787 69.652 1 49.73 ? NE1 TRP 279 A 1 +ATOM 2104 C CE2 TRP 279 . . A 1 -3.129 61.217 70.139 1 49.88 ? CE2 TRP 279 A 1 +ATOM 2105 C CE3 TRP 279 . . A 1 -1.396 60.443 71.739 1 58.48 ? CE3 TRP 279 A 1 +ATOM 2106 C CZ2 TRP 279 . . A 1 -2.355 62.344 69.845 1 52.53 ? CZ2 TRP 279 A 1 +ATOM 2107 C CZ3 TRP 279 . . A 1 -0.651 61.593 71.411 1 56.28 ? CZ3 TRP 279 A 1 +ATOM 2108 C CH2 TRP 279 . . A 1 -1.121 62.532 70.477 1 54.43 ? CH2 TRP 279 A 1 +ATOM 2109 N N ASN 280 . . A 1 -5.489 54.797 72.608 1 20.31 ? N ASN 280 A 1 +ATOM 2110 C CA ASN 280 . . A 1 -5.433 53.582 73.429 1 20.08 ? CA ASN 280 A 1 +ATOM 2111 C C ASN 280 . . A 1 -5.039 52.341 72.694 1 22.62 ? C ASN 280 A 1 +ATOM 2112 O O ASN 280 . . A 1 -4.46 51.425 73.248 1 26.63 ? O ASN 280 A 1 +ATOM 2113 C CB ASN 280 . . A 1 -6.789 53.199 74.043 1 20.19 ? CB ASN 280 A 1 +ATOM 2114 C CG ASN 280 . . A 1 -7.137 54.098 75.195 1 24.84 ? CG ASN 280 A 1 +ATOM 2115 O OD1 ASN 280 . . A 1 -6.304 54.823 75.717 1 25.2 ? OD1 ASN 280 A 1 +ATOM 2116 N ND2 ASN 280 . . A 1 -8.397 54.069 75.59 1 28.34 ? ND2 ASN 280 A 1 +ATOM 2117 N N VAL 281 . . A 1 -5.38 52.275 71.42 1 25.56 ? N VAL 281 A 1 +ATOM 2118 C CA VAL 281 . . A 1 -5.062 51.042 70.707 1 24.42 ? CA VAL 281 A 1 +ATOM 2119 C C VAL 281 . . A 1 -3.599 50.711 70.393 1 22.95 ? C VAL 281 A 1 +ATOM 2120 O O VAL 281 . . A 1 -3.372 49.647 69.821 1 24.23 ? O VAL 281 A 1 +ATOM 2121 C CB VAL 281 . . A 1 -5.906 51 69.425 1 25.83 ? CB VAL 281 A 1 +ATOM 2122 C CG1 VAL 281 . . A 1 -7.411 51.111 69.722 1 27.99 ? CG1 VAL 281 A 1 +ATOM 2123 C CG2 VAL 281 . . A 1 -5.501 52.081 68.401 1 30.18 ? CG2 VAL 281 A 1 +ATOM 2124 N N LEU 282 . . A 1 -2.624 51.588 70.698 1 20.87 ? N LEU 282 A 1 +ATOM 2125 C CA LEU 282 . . A 1 -1.259 51.173 70.351 1 23 ? CA LEU 282 A 1 +ATOM 2126 C C LEU 282 . . A 1 -0.893 49.88 71.054 1 27.86 ? C LEU 282 A 1 +ATOM 2127 O O LEU 282 . . A 1 -1.344 49.607 72.15 1 32.56 ? O LEU 282 A 1 +ATOM 2128 C CB LEU 282 . . A 1 -0.159 52.178 70.739 1 21.55 ? CB LEU 282 A 1 +ATOM 2129 C CG LEU 282 . . A 1 -0.144 53.46 69.926 1 18.06 ? CG LEU 282 A 1 +ATOM 2130 C CD1 LEU 282 . . A 1 0.864 54.445 70.504 1 16.8 ? CD1 LEU 282 A 1 +ATOM 2131 C CD2 LEU 282 . . A 1 0.197 53.174 68.463 1 26.92 ? CD2 LEU 282 A 1 +ATOM 2132 N N PRO 283 . . A 1 -0.024 49.098 70.427 1 30.7 ? N PRO 283 A 1 +ATOM 2133 C CA PRO 283 . . A 1 0.402 47.861 71.049 1 32.14 ? CA PRO 283 A 1 +ATOM 2134 C C PRO 283 . . A 1 1.517 48.007 72.09 1 33.95 ? C PRO 283 A 1 +ATOM 2135 O O PRO 283 . . A 1 1.919 47.011 72.68 1 36.67 ? O PRO 283 A 1 +ATOM 2136 C CB PRO 283 . . A 1 0.991 47.076 69.875 1 30.98 ? CB PRO 283 A 1 +ATOM 2137 C CG PRO 283 . . A 1 1.456 48.15 68.884 1 33.78 ? CG PRO 283 A 1 +ATOM 2138 C CD PRO 283 . . A 1 0.527 49.34 69.104 1 32 ? CD PRO 283 A 1 +ATOM 2139 N N PHE 284 . . A 1 2.073 49.21 72.301 1 33.22 ? N PHE 284 A 1 +ATOM 2140 C CA PHE 284 . . A 1 3.173 49.257 73.275 1 33.7 ? CA PHE 284 A 1 +ATOM 2141 C C PHE 284 . . A 1 3.401 50.664 73.784 1 31.26 ? C PHE 284 A 1 +ATOM 2142 O O PHE 284 . . A 1 2.904 51.64 73.25 1 35.29 ? O PHE 284 A 1 +ATOM 2143 C CB PHE 284 . . A 1 4.48 48.725 72.623 1 37.6 ? CB PHE 284 A 1 +ATOM 2144 C CG PHE 284 . . A 1 4.8 49.364 71.288 1 35.44 ? CG PHE 284 A 1 +ATOM 2145 N N ASP 285 . . A 1 4.19 50.78 74.844 1 27.46 ? N ASP 285 A 1 +ATOM 2146 C CA ASP 285 . . A 1 4.458 52.113 75.37 1 27.08 ? CA ASP 285 A 1 +ATOM 2147 C C ASP 285 . . A 1 5.465 52.645 74.399 1 24.63 ? C ASP 285 A 1 +ATOM 2148 O O ASP 285 . . A 1 6.459 51.963 74.202 1 23.44 ? O ASP 285 A 1 +ATOM 2149 C CB ASP 285 . . A 1 5.088 52.01 76.783 1 32.77 ? CB ASP 285 A 1 +ATOM 2150 C CG ASP 285 . . A 1 4.963 53.25 77.68 1 36.82 ? CG ASP 285 A 1 +ATOM 2151 O OD1 ASP 285 . . A 1 4.601 54.334 77.2 1 41.07 ? OD1 ASP 285 A 1 +ATOM 2152 O OD2 ASP 285 . . A 1 5.201 53.11 78.885 1 39.75 ? OD2 ASP 285 A 1 +ATOM 2153 N N SER 286 . . A 1 5.244 53.807 73.796 1 22.2 ? N SER 286 A 1 +ATOM 2154 C CA SER 286 . . A 1 6.287 54.187 72.865 1 20.31 ? CA SER 286 A 1 +ATOM 2155 C C SER 286 . . A 1 6.19 55.639 72.579 1 20.85 ? C SER 286 A 1 +ATOM 2156 O O SER 286 . . A 1 5.215 56.291 72.907 1 25.15 ? O SER 286 A 1 +ATOM 2157 C CB SER 286 . . A 1 6.124 53.397 71.571 1 22.04 ? CB SER 286 A 1 +ATOM 2158 N N ILE 287 . . A 1 7.231 56.149 71.957 1 20.58 ? N ILE 287 A 1 +ATOM 2159 C CA ILE 287 . . A 1 7.316 57.542 71.6 1 18.81 ? CA ILE 287 A 1 +ATOM 2160 C C ILE 287 . . A 1 7.566 57.539 70.101 1 23.59 ? C ILE 287 A 1 +ATOM 2161 O O ILE 287 . . A 1 8.253 56.669 69.584 1 23.54 ? O ILE 287 A 1 +ATOM 2162 C CB ILE 287 . . A 1 8.386 58.168 72.526 1 19.4 ? CB ILE 287 A 1 +ATOM 2163 C CG1 ILE 287 . . A 1 7.674 58.758 73.738 1 26.33 ? CG1 ILE 287 A 1 +ATOM 2164 C CG2 ILE 287 . . A 1 9.381 59.18 71.969 1 12.5 ? CG2 ILE 287 A 1 +ATOM 2165 C CD1 ILE 287 . . A 1 6.783 59.964 73.388 1 37.57 ? CD1 ILE 287 A 1 +ATOM 2166 N N PHE 288 . . A 1 6.98 58.527 69.409 1 22.61 ? N PHE 288 A 1 +ATOM 2167 C CA PHE 288 . . A 1 7.142 58.613 67.965 1 18.77 ? CA PHE 288 A 1 +ATOM 2168 C C PHE 288 . . A 1 6.488 57.438 67.263 1 17.49 ? C PHE 288 A 1 +ATOM 2169 O O PHE 288 . . A 1 7.068 56.848 66.366 1 18.77 ? O PHE 288 A 1 +ATOM 2170 C CB PHE 288 . . A 1 8.626 58.732 67.524 1 18.74 ? CB PHE 288 A 1 +ATOM 2171 C CG PHE 288 . . A 1 8.842 59.709 66.391 1 20.03 ? CG PHE 288 A 1 +ATOM 2172 C CD1 PHE 288 . . A 1 7.959 59.77 65.297 1 18.55 ? CD1 PHE 288 A 1 +ATOM 2173 C CD2 PHE 288 . . A 1 9.937 60.591 66.439 1 20.66 ? CD2 PHE 288 A 1 +ATOM 2174 C CE1 PHE 288 . . A 1 8.162 60.724 64.286 1 21.85 ? CE1 PHE 288 A 1 +ATOM 2175 C CE2 PHE 288 . . A 1 10.152 61.527 65.417 1 18.68 ? CE2 PHE 288 A 1 +ATOM 2176 C CZ PHE 288 . . A 1 9.258 61.601 64.342 1 18.73 ? CZ PHE 288 A 1 +ATOM 2177 N N ARG 289 . . A 1 5.281 57.08 67.706 1 13.71 ? N ARG 289 A 1 +ATOM 2178 C CA ARG 289 . . A 1 4.589 55.99 67.04 1 10.97 ? CA ARG 289 A 1 +ATOM 2179 C C ARG 289 . . A 1 3.133 56.446 67.008 1 13.17 ? C ARG 289 A 1 +ATOM 2180 O O ARG 289 . . A 1 2.672 57.044 67.976 1 15.46 ? O ARG 289 A 1 +ATOM 2181 C CB ARG 289 . . A 1 4.87 54.676 67.752 1 7.32 ? CB ARG 289 A 1 +ATOM 2182 C CG ARG 289 . . A 1 5.166 53.55 66.761 1 10.17 ? CG ARG 289 A 1 +ATOM 2183 C CD ARG 289 . . A 1 6.592 52.986 66.804 1 8.16 ? CD ARG 289 A 1 +ATOM 2184 N NE ARG 289 . . A 1 7.61 53.993 66.528 1 6.44 ? NE ARG 289 A 1 +ATOM 2185 C CZ ARG 289 . . A 1 8.888 53.619 66.311 1 7.3 ? CZ ARG 289 A 1 +ATOM 2186 N NH1 ARG 289 . . A 1 9.265 52.332 66.314 1 9.32 ? NH1 ARG 289 A 1 +ATOM 2187 N NH2 ARG 289 . . A 1 9.799 54.549 66.1 1 2 ? NH2 ARG 289 A 1 +ATOM 2188 N N PHE 290 . . A 1 2.423 56.202 65.89 1 13.8 ? N PHE 290 A 1 +ATOM 2189 C CA PHE 290 . . A 1 1.03 56.669 65.753 1 7.02 ? CA PHE 290 A 1 +ATOM 2190 C C PHE 290 . . A 1 0.166 55.475 65.563 1 7.77 ? C PHE 290 A 1 +ATOM 2191 O O PHE 290 . . A 1 0.62 54.426 65.14 1 8.78 ? O PHE 290 A 1 +ATOM 2192 C CB PHE 290 . . A 1 0.93 57.706 64.649 1 5.39 ? CB PHE 290 A 1 +ATOM 2193 C CG PHE 290 . . A 1 2.049 58.697 64.835 1 6.71 ? CG PHE 290 A 1 +ATOM 2194 C CD1 PHE 290 . . A 1 2.069 59.518 65.98 1 9.75 ? CD1 PHE 290 A 1 +ATOM 2195 C CD2 PHE 290 . . A 1 3.094 58.785 63.908 1 5 ? CD2 PHE 290 A 1 +ATOM 2196 C CE1 PHE 290 . . A 1 3.123 60.416 66.204 1 12.99 ? CE1 PHE 290 A 1 +ATOM 2197 C CE2 PHE 290 . . A 1 4.152 59.683 64.134 1 15.4 ? CE2 PHE 290 A 1 +ATOM 2198 C CZ PHE 290 . . A 1 4.175 60.502 65.278 1 13.61 ? CZ PHE 290 A 1 +ATOM 2199 N N SER 291 . . A 1 -1.106 55.638 65.857 1 8.32 ? N SER 291 A 1 +ATOM 2200 C CA SER 291 . . A 1 -1.972 54.462 65.823 1 16.13 ? CA SER 291 A 1 +ATOM 2201 C C SER 291 . . A 1 -2.512 54.045 64.482 1 17.73 ? C SER 291 A 1 +ATOM 2202 O O SER 291 . . A 1 -2.336 52.912 64.051 1 20.12 ? O SER 291 A 1 +ATOM 2203 C CB SER 291 . . A 1 -3.099 54.609 66.872 1 19.54 ? CB SER 291 A 1 +ATOM 2204 O OG SER 291 . . A 1 -3.357 56.01 67.071 1 33.63 ? OG SER 291 A 1 +ATOM 2205 N N PHE 292 . . A 1 -3.239 54.985 63.879 1 17.03 ? N PHE 292 A 1 +ATOM 2206 C CA PHE 292 . . A 1 -3.854 54.779 62.57 1 16.67 ? CA PHE 292 A 1 +ATOM 2207 C C PHE 292 . . A 1 -2.927 55.452 61.567 1 16.8 ? C PHE 292 A 1 +ATOM 2208 O O PHE 292 . . A 1 -2.77 56.67 61.518 1 15.5 ? O PHE 292 A 1 +ATOM 2209 C CB PHE 292 . . A 1 -5.27 55.372 62.539 1 17.52 ? CB PHE 292 A 1 +ATOM 2210 C CG PHE 292 . . A 1 -6.134 54.657 63.543 1 17.08 ? CG PHE 292 A 1 +ATOM 2211 C CD1 PHE 292 . . A 1 -6.5 53.322 63.309 1 15.4 ? CD1 PHE 292 A 1 +ATOM 2212 C CD2 PHE 292 . . A 1 -6.55 55.293 64.726 1 18.33 ? CD2 PHE 292 A 1 +ATOM 2213 C CE1 PHE 292 . . A 1 -7.267 52.62 64.249 1 18.53 ? CE1 PHE 292 A 1 +ATOM 2214 C CE2 PHE 292 . . A 1 -7.321 54.589 65.666 1 17.4 ? CE2 PHE 292 A 1 +ATOM 2215 C CZ PHE 292 . . A 1 -7.677 53.255 65.429 1 14.64 ? CZ PHE 292 A 1 +ATOM 2216 N N VAL 293 . . A 1 -2.289 54.601 60.776 1 12.34 ? N VAL 293 A 1 +ATOM 2217 C CA VAL 293 . . A 1 -1.336 55.08 59.827 1 8.67 ? CA VAL 293 A 1 +ATOM 2218 C C VAL 293 . . A 1 -1.555 54.254 58.525 1 12.18 ? C VAL 293 A 1 +ATOM 2219 O O VAL 293 . . A 1 -2.342 53.305 58.56 1 16.8 ? O VAL 293 A 1 +ATOM 2220 C CB VAL 293 . . A 1 -0.041 54.883 60.652 1 4.33 ? CB VAL 293 A 1 +ATOM 2221 C CG1 VAL 293 . . A 1 0.6 53.521 60.414 1 2 ? CG1 VAL 293 A 1 +ATOM 2222 C CG2 VAL 293 . . A 1 0.897 56.091 60.681 1 2 ? CG2 VAL 293 A 1 +ATOM 2223 N N PRO 294 . . A 1 -0.904 54.629 57.388 1 9.3 ? N PRO 294 A 1 +ATOM 2224 C CA PRO 294 . . A 1 -0.938 53.815 56.186 1 8.79 ? CA PRO 294 A 1 +ATOM 2225 C C PRO 294 . . A 1 -0.599 52.352 56.371 1 10.5 ? C PRO 294 A 1 +ATOM 2226 O O PRO 294 . . A 1 0.323 51.972 57.076 1 9.56 ? O PRO 294 A 1 +ATOM 2227 C CB PRO 294 . . A 1 0.094 54.478 55.268 1 6.8 ? CB PRO 294 A 1 +ATOM 2228 C CG PRO 294 . . A 1 0.162 55.948 55.71 1 6.81 ? CG PRO 294 A 1 +ATOM 2229 C CD PRO 294 . . A 1 -0.242 55.919 57.186 1 9.07 ? CD PRO 294 A 1 +ATOM 2230 N N VAL 295 . . A 1 -1.359 51.52 55.684 1 11.41 ? N VAL 295 A 1 +ATOM 2231 C CA VAL 295 . . A 1 -1.144 50.105 55.753 1 11.66 ? CA VAL 295 A 1 +ATOM 2232 C C VAL 295 . . A 1 -0.563 49.626 54.426 1 11.36 ? C VAL 295 A 1 +ATOM 2233 O O VAL 295 . . A 1 -0.921 50.1 53.345 1 15.72 ? O VAL 295 A 1 +ATOM 2234 C CB VAL 295 . . A 1 -2.5 49.475 56.064 1 11.25 ? CB VAL 295 A 1 +ATOM 2235 C CG1 VAL 295 . . A 1 -3.536 49.665 54.957 1 11.82 ? CG1 VAL 295 A 1 +ATOM 2236 C CG2 VAL 295 . . A 1 -2.383 48.012 56.439 1 13.92 ? CG2 VAL 295 A 1 +ATOM 2237 N N ILE 296 . . A 1 0.332 48.65 54.494 1 7.67 ? N ILE 296 A 1 +ATOM 2238 C CA ILE 296 . . A 1 0.909 48.108 53.269 1 9.07 ? CA ILE 296 A 1 +ATOM 2239 C C ILE 296 . . A 1 -0.113 47.067 52.819 1 13.22 ? C ILE 296 A 1 +ATOM 2240 O O ILE 296 . . A 1 -0.081 45.901 53.17 1 16.51 ? O ILE 296 A 1 +ATOM 2241 C CB ILE 296 . . A 1 2.32 47.588 53.556 1 3.19 ? CB ILE 296 A 1 +ATOM 2242 C CG1 ILE 296 . . A 1 3.177 48.649 54.284 1 7.61 ? CG1 ILE 296 A 1 +ATOM 2243 C CG2 ILE 296 . . A 1 3.046 47.123 52.298 1 9.21 ? CG2 ILE 296 A 1 +ATOM 2244 C CD1 ILE 296 . . A 1 3.414 49.937 53.482 1 2 ? CD1 ILE 296 A 1 +ATOM 2245 N N ASP 297 . . A 1 -1.079 47.551 52.048 1 17.57 ? N ASP 297 A 1 +ATOM 2246 C CA ASP 297 . . A 1 -2.187 46.71 51.598 1 18.19 ? CA ASP 297 A 1 +ATOM 2247 C C ASP 297 . . A 1 -2.087 45.968 50.305 1 18.63 ? C ASP 297 A 1 +ATOM 2248 O O ASP 297 . . A 1 -3.04 45.291 49.965 1 20.4 ? O ASP 297 A 1 +ATOM 2249 C CB ASP 297 . . A 1 -3.443 47.587 51.441 1 21.53 ? CB ASP 297 A 1 +ATOM 2250 C CG ASP 297 . . A 1 -3.249 48.707 50.408 1 25.52 ? CG ASP 297 A 1 +ATOM 2251 O OD1 ASP 297 . . A 1 -2.118 48.919 49.965 1 25.27 ? OD1 ASP 297 A 1 +ATOM 2252 O OD2 ASP 297 . . A 1 -4.229 49.36 50.045 1 30.02 ? OD2 ASP 297 A 1 +ATOM 2253 N N GLY 298 . . A 1 -1.035 46.149 49.527 1 19.76 ? N GLY 298 A 1 +ATOM 2254 C CA GLY 298 . . A 1 -1.012 45.399 48.265 1 20.13 ? CA GLY 298 A 1 +ATOM 2255 C C GLY 298 . . A 1 -1.68 46.119 47.101 1 21.29 ? C GLY 298 A 1 +ATOM 2256 O O GLY 298 . . A 1 -1.65 45.683 45.964 1 21.74 ? O GLY 298 A 1 +ATOM 2257 N N GLU 299 . . A 1 -2.354 47.242 47.391 1 24.12 ? N GLU 299 A 1 +ATOM 2258 C CA GLU 299 . . A 1 -2.987 48.004 46.305 1 25.75 ? CA GLU 299 A 1 +ATOM 2259 C C GLU 299 . . A 1 -2.149 49.253 46.134 1 24.4 ? C GLU 299 A 1 +ATOM 2260 O O GLU 299 . . A 1 -1.33 49.372 45.239 1 26.48 ? O GLU 299 A 1 +ATOM 2261 C CB GLU 299 . . A 1 -4.484 48.325 46.503 1 25.83 ? CB GLU 299 A 1 +ATOM 2262 C CG GLU 299 . . A 1 -5.398 47.079 46.58 1 32.58 ? CG GLU 299 A 1 +ATOM 2263 N N PHE 300 . . A 1 -2.35 50.184 47.083 1 18.19 ? N PHE 300 A 1 +ATOM 2264 C CA PHE 300 . . A 1 -1.59 51.437 47.05 1 12.45 ? CA PHE 300 A 1 +ATOM 2265 C C PHE 300 . . A 1 -0.093 51.132 46.92 1 11.34 ? C PHE 300 A 1 +ATOM 2266 O O PHE 300 . . A 1 0.658 51.681 46.131 1 13.48 ? O PHE 300 A 1 +ATOM 2267 C CB PHE 300 . . A 1 -1.975 52.258 48.291 1 7.9 ? CB PHE 300 A 1 +ATOM 2268 C CG PHE 300 . . A 1 -1.758 53.743 48.144 1 2.53 ? CG PHE 300 A 1 +ATOM 2269 C CD1 PHE 300 . . A 1 -0.45 54.264 48.217 1 2 ? CD1 PHE 300 A 1 +ATOM 2270 C CD2 PHE 300 . . A 1 -2.854 54.617 47.978 1 2 ? CD2 PHE 300 A 1 +ATOM 2271 C CE1 PHE 300 . . A 1 -0.238 55.646 48.138 1 2 ? CE1 PHE 300 A 1 +ATOM 2272 C CE2 PHE 300 . . A 1 -2.636 56.001 47.897 1 2.42 ? CE2 PHE 300 A 1 +ATOM 2273 C CZ PHE 300 . . A 1 -1.329 56.516 47.975 1 2 ? CZ PHE 300 A 1 +ATOM 2274 N N PHE 301 . . A 1 0.338 50.182 47.74 1 13.91 ? N PHE 301 A 1 +ATOM 2275 C CA PHE 301 . . A 1 1.728 49.748 47.685 1 16.4 ? CA PHE 301 A 1 +ATOM 2276 C C PHE 301 . . A 1 1.552 48.355 47.154 1 17.78 ? C PHE 301 A 1 +ATOM 2277 O O PHE 301 . . A 1 0.813 47.606 47.779 1 18.74 ? O PHE 301 A 1 +ATOM 2278 C CB PHE 301 . . A 1 2.442 49.68 49.055 1 12.1 ? CB PHE 301 A 1 +ATOM 2279 C CG PHE 301 . . A 1 2.334 50.999 49.759 1 8.05 ? CG PHE 301 A 1 +ATOM 2280 C CD1 PHE 301 . . A 1 3.19 52.053 49.41 1 8.6 ? CD1 PHE 301 A 1 +ATOM 2281 C CD2 PHE 301 . . A 1 1.335 51.199 50.731 1 7.13 ? CD2 PHE 301 A 1 +ATOM 2282 C CE1 PHE 301 . . A 1 3.033 53.309 50.021 1 11.99 ? CE1 PHE 301 A 1 +ATOM 2283 C CE2 PHE 301 . . A 1 1.18 52.448 51.337 1 7.18 ? CE2 PHE 301 A 1 +ATOM 2284 C CZ PHE 301 . . A 1 2.027 53.509 50.983 1 6.39 ? CZ PHE 301 A 1 +ATOM 2285 N N PRO 302 . . A 1 2.178 48.011 46.027 1 22.94 ? N PRO 302 A 1 +ATOM 2286 C CA PRO 302 . . A 1 2.077 46.642 45.548 1 24.21 ? CA PRO 302 A 1 +ATOM 2287 C C PRO 302 . . A 1 2.809 45.66 46.448 1 26.54 ? C PRO 302 A 1 +ATOM 2288 O O PRO 302 . . A 1 2.337 44.569 46.749 1 30.3 ? O PRO 302 A 1 +ATOM 2289 C CB PRO 302 . . A 1 2.681 46.708 44.135 1 22.95 ? CB PRO 302 A 1 +ATOM 2290 C CG PRO 302 . . A 1 3.442 48.048 44.018 1 21.28 ? CG PRO 302 A 1 +ATOM 2291 C CD PRO 302 . . A 1 2.862 48.938 45.116 1 25.04 ? CD PRO 302 A 1 +ATOM 2292 N N THR 303 . . A 1 4.011 46.07 46.872 1 24.95 ? N THR 303 A 1 +ATOM 2293 C CA THR 303 . . A 1 4.819 45.204 47.717 1 23.35 ? CA THR 303 A 1 +ATOM 2294 C C THR 303 . . A 1 5.359 46.023 48.858 1 21.75 ? C THR 303 A 1 +ATOM 2295 O O THR 303 . . A 1 5.061 47.188 49.08 1 22.57 ? O THR 303 A 1 +ATOM 2296 C CB THR 303 . . A 1 5.96 44.619 46.857 1 24.02 ? CB THR 303 A 1 +ATOM 2297 O OG1 THR 303 . . A 1 5.373 44.118 45.672 1 35.66 ? OG1 THR 303 A 1 +ATOM 2298 C CG2 THR 303 . . A 1 6.781 43.426 47.395 1 32.95 ? CG2 THR 303 A 1 +ATOM 2299 N N SER 304 . . A 1 6.179 45.353 49.634 1 19.64 ? N SER 304 A 1 +ATOM 2300 C CA SER 304 . . A 1 6.777 46.036 50.737 1 22 ? CA SER 304 A 1 +ATOM 2301 C C SER 304 . . A 1 7.647 47.171 50.223 1 20.4 ? C SER 304 A 1 +ATOM 2302 O O SER 304 . . A 1 8.325 47.026 49.214 1 21.63 ? O SER 304 A 1 +ATOM 2303 C CB SER 304 . . A 1 7.617 45.022 51.523 1 25.76 ? CB SER 304 A 1 +ATOM 2304 O OG SER 304 . . A 1 8.746 44.583 50.764 1 28.88 ? OG SER 304 A 1 +ATOM 2305 N N LEU 305 . . A 1 7.668 48.268 50.974 1 17.53 ? N LEU 305 A 1 +ATOM 2306 C CA LEU 305 . . A 1 8.469 49.379 50.532 1 16.57 ? CA LEU 305 A 1 +ATOM 2307 C C LEU 305 . . A 1 9.931 49.02 50.352 1 19.69 ? C LEU 305 A 1 +ATOM 2308 O O LEU 305 . . A 1 10.656 49.623 49.579 1 24.75 ? O LEU 305 A 1 +ATOM 2309 C CB LEU 305 . . A 1 8.384 50.527 51.537 1 12.69 ? CB LEU 305 A 1 +ATOM 2310 C CG LEU 305 . . A 1 6.978 50.885 52.035 1 13 ? CG LEU 305 A 1 +ATOM 2311 C CD1 LEU 305 . . A 1 7.04 52.244 52.743 1 15.7 ? CD1 LEU 305 A 1 +ATOM 2312 C CD2 LEU 305 . . A 1 5.92 50.939 50.919 1 16.88 ? CD2 LEU 305 A 1 +ATOM 2313 N N GLU 306 . . A 1 10.385 48.013 51.088 1 21.26 ? N GLU 306 A 1 +ATOM 2314 C CA GLU 306 . . A 1 11.788 47.694 50.939 1 23.53 ? CA GLU 306 A 1 +ATOM 2315 C C GLU 306 . . A 1 12.068 47.065 49.589 1 26.4 ? C GLU 306 A 1 +ATOM 2316 O O GLU 306 . . A 1 13.099 47.362 48.988 1 26.99 ? O GLU 306 A 1 +ATOM 2317 C CB GLU 306 . . A 1 12.304 46.861 52.115 1 27.54 ? CB GLU 306 A 1 +ATOM 2318 C CG GLU 306 . . A 1 13.848 46.784 52.138 1 36.12 ? CG GLU 306 A 1 +ATOM 2319 C CD GLU 306 . . A 1 14.553 48.135 52.349 1 42.13 ? CD GLU 306 A 1 +ATOM 2320 O OE1 GLU 306 . . A 1 13.897 49.103 52.749 1 48.53 ? OE1 GLU 306 A 1 +ATOM 2321 O OE2 GLU 306 . . A 1 15.763 48.207 52.113 1 41.09 ? OE2 GLU 306 A 1 +ATOM 2322 N N SER 307 . . A 1 11.155 46.186 49.122 1 24.56 ? N SER 307 A 1 +ATOM 2323 C CA SER 307 . . A 1 11.386 45.608 47.794 1 23.34 ? CA SER 307 A 1 +ATOM 2324 C C SER 307 . . A 1 11.332 46.696 46.751 1 22.27 ? C SER 307 A 1 +ATOM 2325 O O SER 307 . . A 1 12.171 46.808 45.879 1 25.5 ? O SER 307 A 1 +ATOM 2326 C CB SER 307 . . A 1 10.291 44.624 47.401 1 25.32 ? CB SER 307 A 1 +ATOM 2327 O OG SER 307 . . A 1 10.486 43.433 48.131 1 35.53 ? OG SER 307 A 1 +ATOM 2328 N N MET 308 . . A 1 10.309 47.54 46.867 1 18.81 ? N MET 308 A 1 +ATOM 2329 C CA MET 308 . . A 1 10.191 48.616 45.913 1 14.66 ? CA MET 308 A 1 +ATOM 2330 C C MET 308 . . A 1 11.475 49.436 45.845 1 16.78 ? C MET 308 A 1 +ATOM 2331 O O MET 308 . . A 1 12.003 49.676 44.766 1 18.54 ? O MET 308 A 1 +ATOM 2332 C CB MET 308 . . A 1 8.931 49.437 46.194 1 10.18 ? CB MET 308 A 1 +ATOM 2333 C CG MET 308 . . A 1 7.683 48.546 46.106 1 9.23 ? CG MET 308 A 1 +ATOM 2334 S SD MET 308 . . A 1 6.168 49.53 46.289 1 18.45 ? SD MET 308 A 1 +ATOM 2335 C CE MET 308 . . A 1 6.091 50.363 44.685 1 12.01 ? CE MET 308 A 1 +ATOM 2336 N N LEU 309 . . A 1 11.991 49.825 47.011 1 16.99 ? N LEU 309 A 1 +ATOM 2337 C CA LEU 309 . . A 1 13.222 50.592 46.993 1 17.95 ? CA LEU 309 A 1 +ATOM 2338 C C LEU 309 . . A 1 14.345 49.795 46.357 1 17.65 ? C LEU 309 A 1 +ATOM 2339 O O LEU 309 . . A 1 15.151 50.301 45.592 1 16.1 ? O LEU 309 A 1 +ATOM 2340 C CB LEU 309 . . A 1 13.666 51.032 48.407 1 17.08 ? CB LEU 309 A 1 +ATOM 2341 C CG LEU 309 . . A 1 12.687 52.013 49.072 1 19.36 ? CG LEU 309 A 1 +ATOM 2342 C CD1 LEU 309 . . A 1 12.952 52.089 50.571 1 21.6 ? CD1 LEU 309 A 1 +ATOM 2343 C CD2 LEU 309 . . A 1 12.728 53.417 48.462 1 21.39 ? CD2 LEU 309 A 1 +ATOM 2344 N N ASN 310 . . A 1 14.386 48.511 46.68 1 21 ? N ASN 310 A 1 +ATOM 2345 C CA ASN 310 . . A 1 15.469 47.696 46.131 1 24.25 ? CA ASN 310 A 1 +ATOM 2346 C C ASN 310 . . A 1 15.341 47.42 44.651 1 23.67 ? C ASN 310 A 1 +ATOM 2347 O O ASN 310 . . A 1 16.341 47.175 43.994 1 28.49 ? O ASN 310 A 1 +ATOM 2348 C CB ASN 310 . . A 1 15.643 46.361 46.879 1 22.68 ? CB ASN 310 A 1 +ATOM 2349 N N SER 311 . . A 1 14.126 47.47 44.12 1 22.33 ? N SER 311 A 1 +ATOM 2350 C CA SER 311 . . A 1 13.956 47.185 42.7 1 20.64 ? CA SER 311 A 1 +ATOM 2351 C C SER 311 . . A 1 13.793 48.386 41.819 1 19.56 ? C SER 311 A 1 +ATOM 2352 O O SER 311 . . A 1 13.63 48.256 40.625 1 23.99 ? O SER 311 A 1 +ATOM 2353 C CB SER 311 . . A 1 12.68 46.37 42.501 1 17.52 ? CB SER 311 A 1 +ATOM 2354 O OG SER 311 . . A 1 12.759 45.201 43.314 1 28.32 ? OG SER 311 A 1 +ATOM 2355 N N GLY 312 . . A 1 13.792 49.586 42.366 1 22.66 ? N GLY 312 A 1 +ATOM 2356 C CA GLY 312 . . A 1 13.59 50.708 41.45 1 16.05 ? CA GLY 312 A 1 +ATOM 2357 C C GLY 312 . . A 1 12.176 50.853 41.018 1 15.93 ? C GLY 312 A 1 +ATOM 2358 O O GLY 312 . . A 1 11.823 51.512 40.05 1 16.26 ? O GLY 312 A 1 +ATOM 2359 N N ASN 313 . . A 1 11.317 50.212 41.788 1 13.55 ? N ASN 313 A 1 +ATOM 2360 C CA ASN 313 . . A 1 9.934 50.273 41.428 1 12.79 ? CA ASN 313 A 1 +ATOM 2361 C C ASN 313 . . A 1 9.345 51.562 41.939 1 14.18 ? C ASN 313 A 1 +ATOM 2362 O O ASN 313 . . A 1 8.511 51.543 42.827 1 17.05 ? O ASN 313 A 1 +ATOM 2363 C CB ASN 313 . . A 1 9.246 49.058 42.036 1 9.57 ? CB ASN 313 A 1 +ATOM 2364 C CG ASN 313 . . A 1 7.795 48.867 41.661 1 9.15 ? CG ASN 313 A 1 +ATOM 2365 O OD1 ASN 313 . . A 1 7.154 47.935 42.126 1 17.83 ? OD1 ASN 313 A 1 +ATOM 2366 N ND2 ASN 313 . . A 1 7.261 49.725 40.809 1 7.64 ? ND2 ASN 313 A 1 +ATOM 2367 N N PHE 314 . . A 1 9.769 52.687 41.365 1 12.17 ? N PHE 314 A 1 +ATOM 2368 C CA PHE 314 . . A 1 9.246 53.96 41.811 1 11.47 ? CA PHE 314 A 1 +ATOM 2369 C C PHE 314 . . A 1 9.491 55.002 40.742 1 9.09 ? C PHE 314 A 1 +ATOM 2370 O O PHE 314 . . A 1 10.292 54.813 39.841 1 11.88 ? O PHE 314 A 1 +ATOM 2371 C CB PHE 314 . . A 1 9.927 54.378 43.142 1 8.27 ? CB PHE 314 A 1 +ATOM 2372 C CG PHE 314 . . A 1 11.439 54.212 43.19 1 5.34 ? CG PHE 314 A 1 +ATOM 2373 C CD1 PHE 314 . . A 1 12.275 55.125 42.522 1 5.5 ? CD1 PHE 314 A 1 +ATOM 2374 C CD2 PHE 314 . . A 1 12.032 53.161 43.921 1 6.88 ? CD2 PHE 314 A 1 +ATOM 2375 C CE1 PHE 314 . . A 1 13.67 55.013 42.589 1 5.64 ? CE1 PHE 314 A 1 +ATOM 2376 C CE2 PHE 314 . . A 1 13.434 53.046 43.99 1 6.23 ? CE2 PHE 314 A 1 +ATOM 2377 C CZ PHE 314 . . A 1 14.252 53.974 43.326 1 8.11 ? CZ PHE 314 A 1 +ATOM 2378 N N LYS 315 . . A 1 8.78 56.117 40.865 1 6.19 ? N LYS 315 A 1 +ATOM 2379 C CA LYS 315 . . A 1 8.949 57.212 39.93 1 5.55 ? CA LYS 315 A 1 +ATOM 2380 C C LYS 315 . . A 1 10.401 57.689 39.991 1 8.59 ? C LYS 315 A 1 +ATOM 2381 O O LYS 315 . . A 1 10.94 57.798 41.078 1 11.14 ? O LYS 315 A 1 +ATOM 2382 C CB LYS 315 . . A 1 8.034 58.359 40.375 1 2 ? CB LYS 315 A 1 +ATOM 2383 C CG LYS 315 . . A 1 7.791 59.418 39.309 1 2 ? CG LYS 315 A 1 +ATOM 2384 C CD LYS 315 . . A 1 6.984 60.602 39.844 1 5.62 ? CD LYS 315 A 1 +ATOM 2385 C CE LYS 315 . . A 1 7.012 61.841 38.941 1 2.23 ? CE LYS 315 A 1 +ATOM 2386 N NZ LYS 315 . . A 1 6.314 61.584 37.702 1 7.21 ? NZ LYS 315 A 1 +ATOM 2387 N N LYS 316 . . A 1 11.009 57.995 38.832 1 11.74 ? N LYS 316 A 1 +ATOM 2388 C CA LYS 316 . . A 1 12.404 58.456 38.78 1 11.54 ? CA LYS 316 A 1 +ATOM 2389 C C LYS 316 . . A 1 12.451 59.858 38.24 1 13.56 ? C LYS 316 A 1 +ATOM 2390 O O LYS 316 . . A 1 12.348 60.074 37.049 1 20.69 ? O LYS 316 A 1 +ATOM 2391 C CB LYS 316 . . A 1 13.171 57.521 37.864 1 8.26 ? CB LYS 316 A 1 +ATOM 2392 C CG LYS 316 . . A 1 13.127 56.119 38.485 1 16.81 ? CG LYS 316 A 1 +ATOM 2393 C CD LYS 316 . . A 1 13.289 54.969 37.505 1 20.85 ? CD LYS 316 A 1 +ATOM 2394 C CE LYS 316 . . A 1 12.902 53.663 38.201 1 26.47 ? CE LYS 316 A 1 +ATOM 2395 N NZ LYS 316 . . A 1 13.286 52.521 37.401 1 38.01 ? NZ LYS 316 A 1 +ATOM 2396 N N THR 317 . . A 1 12.594 60.814 39.134 1 14.01 ? N THR 317 A 1 +ATOM 2397 C CA THR 317 . . A 1 12.652 62.244 38.864 1 9.79 ? CA THR 317 A 1 +ATOM 2398 C C THR 317 . . A 1 13.686 62.692 39.841 1 10.09 ? C THR 317 A 1 +ATOM 2399 O O THR 317 . . A 1 14.387 61.834 40.377 1 14.11 ? O THR 317 A 1 +ATOM 2400 C CB THR 317 . . A 1 11.268 62.826 39.158 1 8.4 ? CB THR 317 A 1 +ATOM 2401 O OG1 THR 317 . . A 1 11.163 64.217 38.919 1 3.2 ? OG1 THR 317 A 1 +ATOM 2402 C CG2 THR 317 . . A 1 10.726 62.508 40.561 1 13.38 ? CG2 THR 317 A 1 +ATOM 2403 N N GLN 318 . . A 1 13.803 63.988 40.092 1 6.37 ? N GLN 318 A 1 +ATOM 2404 C CA GLN 318 . . A 1 14.777 64.42 41.073 1 12.87 ? CA GLN 318 A 1 +ATOM 2405 C C GLN 318 . . A 1 13.988 64.827 42.278 1 14.14 ? C GLN 318 A 1 +ATOM 2406 O O GLN 318 . . A 1 12.856 65.269 42.127 1 16.56 ? O GLN 318 A 1 +ATOM 2407 C CB GLN 318 . . A 1 15.678 65.574 40.599 1 15.58 ? CB GLN 318 A 1 +ATOM 2408 C CG GLN 318 . . A 1 14.988 66.667 39.762 1 19.31 ? CG GLN 318 A 1 +ATOM 2409 C CD GLN 318 . . A 1 14.54 66.13 38.419 1 22.16 ? CD GLN 318 A 1 +ATOM 2410 O OE1 GLN 318 . . A 1 13.369 66.144 38.104 1 23.76 ? OE1 GLN 318 A 1 +ATOM 2411 N NE2 GLN 318 . . A 1 15.466 65.585 37.653 1 23.65 ? NE2 GLN 318 A 1 +ATOM 2412 N N ILE 319 . . A 1 14.601 64.668 43.46 1 14.51 ? N ILE 319 A 1 +ATOM 2413 C CA ILE 319 . . A 1 13.962 65.028 44.715 1 13.89 ? CA ILE 319 A 1 +ATOM 2414 C C ILE 319 . . A 1 14.935 65.892 45.481 1 13.76 ? C ILE 319 A 1 +ATOM 2415 O O ILE 319 . . A 1 16.143 65.848 45.224 1 15.41 ? O ILE 319 A 1 +ATOM 2416 C CB ILE 319 . . A 1 13.606 63.764 45.533 1 8.68 ? CB ILE 319 A 1 +ATOM 2417 C CG1 ILE 319 . . A 1 14.81 62.833 45.701 1 9.47 ? CG1 ILE 319 A 1 +ATOM 2418 C CG2 ILE 319 . . A 1 12.439 63.029 44.879 1 8.02 ? CG2 ILE 319 A 1 +ATOM 2419 C CD1 ILE 319 . . A 1 14.535 61.645 46.616 1 10.02 ? CD1 ILE 319 A 1 +ATOM 2420 N N LEU 320 . . A 1 14.374 66.653 46.433 1 12.95 ? N LEU 320 A 1 +ATOM 2421 C CA LEU 320 . . A 1 15.133 67.534 47.325 1 13.55 ? CA LEU 320 A 1 +ATOM 2422 C C LEU 320 . . A 1 14.604 67.179 48.708 1 16.92 ? C LEU 320 A 1 +ATOM 2423 O O LEU 320 . . A 1 13.402 67.3 48.938 1 17.93 ? O LEU 320 A 1 +ATOM 2424 C CB LEU 320 . . A 1 14.885 68.995 46.946 1 10.04 ? CB LEU 320 A 1 +ATOM 2425 C CG LEU 320 . . A 1 15.616 70.015 47.806 1 2.89 ? CG LEU 320 A 1 +ATOM 2426 C CD1 LEU 320 . . A 1 15.902 71.283 46.999 1 2 ? CD1 LEU 320 A 1 +ATOM 2427 C CD2 LEU 320 . . A 1 14.777 70.365 49.034 1 2 ? CD2 LEU 320 A 1 +ATOM 2428 N N LEU 321 . . A 1 15.471 66.724 49.628 1 19.13 ? N LEU 321 A 1 +ATOM 2429 C CA LEU 321 . . A 1 14.983 66.334 50.959 1 20.76 ? CA LEU 321 A 1 +ATOM 2430 C C LEU 321 . . A 1 15.948 66.716 52.073 1 21.85 ? C LEU 321 A 1 +ATOM 2431 O O LEU 321 . . A 1 17.08 67.123 51.823 1 21.77 ? O LEU 321 A 1 +ATOM 2432 C CB LEU 321 . . A 1 14.567 64.848 50.994 1 13.85 ? CB LEU 321 A 1 +ATOM 2433 C CG LEU 321 . . A 1 15.662 63.771 50.878 1 10.01 ? CG LEU 321 A 1 +ATOM 2434 C CD1 LEU 321 . . A 1 14.969 62.419 50.669 1 14.33 ? CD1 LEU 321 A 1 +ATOM 2435 C CD2 LEU 321 . . A 1 16.697 64.033 49.786 1 12.34 ? CD2 LEU 321 A 1 +ATOM 2436 N N GLY 322 . . A 1 15.474 66.606 53.323 1 20.68 ? N GLY 322 A 1 +ATOM 2437 C CA GLY 322 . . A 1 16.364 66.975 54.413 1 21.02 ? CA GLY 322 A 1 +ATOM 2438 C C GLY 322 . . A 1 15.837 66.67 55.788 1 20.39 ? C GLY 322 A 1 +ATOM 2439 O O GLY 322 . . A 1 14.748 66.148 56.012 1 17.65 ? O GLY 322 A 1 +ATOM 2440 N N VAL 323 . . A 1 16.676 67.039 56.737 1 19.21 ? N VAL 323 A 1 +ATOM 2441 C CA VAL 323 . . A 1 16.454 66.802 58.135 1 16.39 ? CA VAL 323 A 1 +ATOM 2442 C C VAL 323 . . A 1 16.833 68.06 58.918 1 18.43 ? C VAL 323 A 1 +ATOM 2443 O O VAL 323 . . A 1 17.569 68.917 58.453 1 21.23 ? O VAL 323 A 1 +ATOM 2444 C CB VAL 323 . . A 1 17.385 65.595 58.39 1 13.97 ? CB VAL 323 A 1 +ATOM 2445 C CG1 VAL 323 . . A 1 18.247 65.66 59.636 1 22.44 ? CG1 VAL 323 A 1 +ATOM 2446 C CG2 VAL 323 . . A 1 16.668 64.246 58.256 1 12.08 ? CG2 VAL 323 A 1 +ATOM 2447 N N ASN 324 . . A 1 16.312 68.13 60.14 1 19.64 ? N ASN 324 A 1 +ATOM 2448 C CA ASN 324 . . A 1 16.576 69.232 61.065 1 20.25 ? CA ASN 324 A 1 +ATOM 2449 C C ASN 324 . . A 1 17.483 68.638 62.123 1 18.45 ? C ASN 324 A 1 +ATOM 2450 O O ASN 324 . . A 1 17.417 67.451 62.429 1 17.84 ? O ASN 324 A 1 +ATOM 2451 C CB ASN 324 . . A 1 15.325 69.717 61.812 1 22.56 ? CB ASN 324 A 1 +ATOM 2452 C CG ASN 324 . . A 1 14.487 70.641 60.991 1 27.51 ? CG ASN 324 A 1 +ATOM 2453 O OD1 ASN 324 . . A 1 14.739 70.895 59.826 1 37.47 ? OD1 ASN 324 A 1 +ATOM 2454 N ND2 ASN 324 . . A 1 13.44 71.163 61.614 1 29.83 ? ND2 ASN 324 A 1 +ATOM 2455 N N LYS 325 . . A 1 18.277 69.49 62.736 1 16.85 ? N LYS 325 A 1 +ATOM 2456 C CA LYS 325 . . A 1 19.209 69.004 63.749 1 18.86 ? CA LYS 325 A 1 +ATOM 2457 C C LYS 325 . . A 1 18.633 68.269 64.972 1 19.76 ? C LYS 325 A 1 +ATOM 2458 O O LYS 325 . . A 1 19.155 67.238 65.376 1 22.32 ? O LYS 325 A 1 +ATOM 2459 C CB LYS 325 . . A 1 20.041 70.206 64.203 1 19.84 ? CB LYS 325 A 1 +ATOM 2460 C CG LYS 325 . . A 1 21.235 69.913 65.106 1 18.37 ? CG LYS 325 A 1 +ATOM 2461 C CD LYS 325 . . A 1 21.879 71.216 65.602 1 23.69 ? CD LYS 325 A 1 +ATOM 2462 C CE LYS 325 . . A 1 22.953 70.945 66.686 1 31.93 ? CE LYS 325 A 1 +ATOM 2463 N N ASP 326 . . A 1 17.564 68.8 65.589 1 19 ? N ASP 326 A 1 +ATOM 2464 C CA ASP 326 . . A 1 16.997 68.168 66.786 1 15.13 ? CA ASP 326 A 1 +ATOM 2465 C C ASP 326 . . A 1 15.582 67.685 66.541 1 15.41 ? C ASP 326 A 1 +ATOM 2466 O O ASP 326 . . A 1 14.554 68.246 66.915 1 17.38 ? O ASP 326 A 1 +ATOM 2467 C CB ASP 326 . . A 1 17.045 69.147 67.964 1 14.86 ? CB ASP 326 A 1 +ATOM 2468 C CG ASP 326 . . A 1 18.481 69.585 68.202 1 15.21 ? CG ASP 326 A 1 +ATOM 2469 O OD1 ASP 326 . . A 1 19.246 68.787 68.744 1 12.3 ? OD1 ASP 326 A 1 +ATOM 2470 O OD2 ASP 326 . . A 1 18.837 70.705 67.836 1 17.21 ? OD2 ASP 326 A 1 +ATOM 2471 N N GLU 327 . . A 1 15.548 66.544 65.869 1 15.52 ? N GLU 327 A 1 +ATOM 2472 C CA GLU 327 . . A 1 14.229 66.004 65.564 1 13.42 ? CA GLU 327 A 1 +ATOM 2473 C C GLU 327 . . A 1 13.532 65.379 66.751 1 10.57 ? C GLU 327 A 1 +ATOM 2474 O O GLU 327 . . A 1 12.316 65.3 66.771 1 9.81 ? O GLU 327 A 1 +ATOM 2475 C CB GLU 327 . . A 1 14.333 64.889 64.496 1 17.15 ? CB GLU 327 A 1 +ATOM 2476 C CG GLU 327 . . A 1 14.964 65.334 63.166 1 18.52 ? CG GLU 327 A 1 +ATOM 2477 C CD GLU 327 . . A 1 13.97 66.056 62.282 1 19.62 ? CD GLU 327 A 1 +ATOM 2478 O OE1 GLU 327 . . A 1 12.931 66.484 62.781 1 21.93 ? OE1 GLU 327 A 1 +ATOM 2479 O OE2 GLU 327 . . A 1 14.237 66.179 61.09 1 16.45 ? OE2 GLU 327 A 1 +ATOM 2480 N N GLY 328 . . A 1 14.326 64.899 67.718 1 11.45 ? N GLY 328 A 1 +ATOM 2481 C CA GLY 328 . . A 1 13.742 64.223 68.891 1 9.29 ? CA GLY 328 A 1 +ATOM 2482 C C GLY 328 . . A 1 13.019 65.075 69.925 1 5.98 ? C GLY 328 A 1 +ATOM 2483 O O GLY 328 . . A 1 11.947 64.733 70.402 1 5.07 ? O GLY 328 A 1 +ATOM 2484 N N SER 329 . . A 1 13.605 66.213 70.25 1 4.05 ? N SER 329 A 1 +ATOM 2485 C CA SER 329 . . A 1 13.07 67.137 71.237 1 6.39 ? CA SER 329 A 1 +ATOM 2486 C C SER 329 . . A 1 11.602 67.111 71.523 1 9.36 ? C SER 329 A 1 +ATOM 2487 O O SER 329 . . A 1 11.178 66.831 72.631 1 15.58 ? O SER 329 A 1 +ATOM 2488 C CB SER 329 . . A 1 13.402 68.587 70.876 1 4.71 ? CB SER 329 A 1 +ATOM 2489 O OG SER 329 . . A 1 14.743 68.55 70.442 1 15.15 ? OG SER 329 A 1 +ATOM 2490 N N PHE 330 . . A 1 10.831 67.435 70.503 1 10.03 ? N PHE 330 A 1 +ATOM 2491 C CA PHE 330 . . A 1 9.388 67.504 70.67 1 9.24 ? CA PHE 330 A 1 +ATOM 2492 C C PHE 330 . . A 1 8.801 66.222 71.233 1 11.37 ? C PHE 330 A 1 +ATOM 2493 O O PHE 330 . . A 1 7.995 66.25 72.151 1 14.67 ? O PHE 330 A 1 +ATOM 2494 C CB PHE 330 . . A 1 8.797 67.941 69.31 1 9.9 ? CB PHE 330 A 1 +ATOM 2495 C CG PHE 330 . . A 1 7.361 67.57 69.09 1 5.23 ? CG PHE 330 A 1 +ATOM 2496 C CD1 PHE 330 . . A 1 6.355 68.074 69.932 1 7.49 ? CD1 PHE 330 A 1 +ATOM 2497 C CD2 PHE 330 . . A 1 7.029 66.699 68.05 1 2 ? CD2 PHE 330 A 1 +ATOM 2498 C CE1 PHE 330 . . A 1 5.016 67.694 69.746 1 5.45 ? CE1 PHE 330 A 1 +ATOM 2499 C CE2 PHE 330 . . A 1 5.702 66.309 67.869 1 6.92 ? CE2 PHE 330 A 1 +ATOM 2500 C CZ PHE 330 . . A 1 4.692 66.803 68.719 1 7.06 ? CZ PHE 330 A 1 +ATOM 2501 N N PHE 331 . . A 1 9.253 65.093 70.703 1 10.22 ? N PHE 331 A 1 +ATOM 2502 C CA PHE 331 . . A 1 8.704 63.827 71.186 1 9.49 ? CA PHE 331 A 1 +ATOM 2503 C C PHE 331 . . A 1 9.104 63.55 72.605 1 10.53 ? C PHE 331 A 1 +ATOM 2504 O O PHE 331 . . A 1 8.302 63.082 73.401 1 18.03 ? O PHE 331 A 1 +ATOM 2505 C CB PHE 331 . . A 1 9.108 62.653 70.283 1 5.51 ? CB PHE 331 A 1 +ATOM 2506 C CG PHE 331 . . A 1 8.718 62.957 68.87 1 7.87 ? CG PHE 331 A 1 +ATOM 2507 C CD1 PHE 331 . . A 1 9.586 63.696 68.044 1 9.94 ? CD1 PHE 331 A 1 +ATOM 2508 C CD2 PHE 331 . . A 1 7.436 62.607 68.414 1 7.15 ? CD2 PHE 331 A 1 +ATOM 2509 C CE1 PHE 331 . . A 1 9.155 64.126 66.787 1 9.44 ? CE1 PHE 331 A 1 +ATOM 2510 C CE2 PHE 331 . . A 1 7.007 63.035 67.154 1 9.46 ? CE2 PHE 331 A 1 +ATOM 2511 C CZ PHE 331 . . A 1 7.863 63.8 66.344 1 11.59 ? CZ PHE 331 A 1 +ATOM 2512 N N LEU 332 . . A 1 10.375 63.847 72.918 1 9.05 ? N LEU 332 A 1 +ATOM 2513 C CA LEU 332 . . A 1 10.84 63.607 74.285 1 7.07 ? CA LEU 332 A 1 +ATOM 2514 C C LEU 332 . . A 1 10.027 64.468 75.245 1 7.31 ? C LEU 332 A 1 +ATOM 2515 O O LEU 332 . . A 1 9.32 63.979 76.117 1 5.4 ? O LEU 332 A 1 +ATOM 2516 C CB LEU 332 . . A 1 12.349 63.825 74.423 1 2 ? CB LEU 332 A 1 +ATOM 2517 C CG LEU 332 . . A 1 13.172 62.733 73.743 1 2 ? CG LEU 332 A 1 +ATOM 2518 C CD1 LEU 332 . . A 1 14.622 63.164 73.595 1 2 ? CD1 LEU 332 A 1 +ATOM 2519 C CD2 LEU 332 . . A 1 13.094 61.403 74.488 1 2 ? CD2 LEU 332 A 1 +ATOM 2520 N N LEU 333 . . A 1 10.102 65.774 75.008 1 4.82 ? N LEU 333 A 1 +ATOM 2521 C CA LEU 333 . . A 1 9.359 66.732 75.799 1 4.67 ? CA LEU 333 A 1 +ATOM 2522 C C LEU 333 . . A 1 7.899 66.344 76.002 1 6.42 ? C LEU 333 A 1 +ATOM 2523 O O LEU 333 . . A 1 7.33 66.523 77.071 1 13.53 ? O LEU 333 A 1 +ATOM 2524 C CB LEU 333 . . A 1 9.46 68.073 75.079 1 6.73 ? CB LEU 333 A 1 +ATOM 2525 C CG LEU 333 . . A 1 8.757 69.31 75.682 1 8.9 ? CG LEU 333 A 1 +ATOM 2526 C CD1 LEU 333 . . A 1 7.382 69.539 75.101 1 9.01 ? CD1 LEU 333 A 1 +ATOM 2527 C CD2 LEU 333 . . A 1 8.713 69.365 77.212 1 12.87 ? CD2 LEU 333 A 1 +ATOM 2528 N N TYR 334 . . A 1 7.28 65.785 74.975 1 6.07 ? N TYR 334 A 1 +ATOM 2529 C CA TYR 334 . . A 1 5.871 65.437 75.152 1 6.57 ? CA TYR 334 A 1 +ATOM 2530 C C TYR 334 . . A 1 5.629 64.108 75.786 1 6.32 ? C TYR 334 A 1 +ATOM 2531 O O TYR 334 . . A 1 4.517 63.901 76.249 1 8.62 ? O TYR 334 A 1 +ATOM 2532 C CB TYR 334 . . A 1 5.054 65.477 73.835 1 5.74 ? CB TYR 334 A 1 +ATOM 2533 C CG TYR 334 . . A 1 4.521 66.852 73.512 1 2 ? CG TYR 334 A 1 +ATOM 2534 C CD1 TYR 334 . . A 1 5.409 67.907 73.254 1 2 ? CD1 TYR 334 A 1 +ATOM 2535 C CD2 TYR 334 . . A 1 3.137 67.079 73.46 1 2 ? CD2 TYR 334 A 1 +ATOM 2536 C CE1 TYR 334 . . A 1 4.912 69.181 72.946 1 5.08 ? CE1 TYR 334 A 1 +ATOM 2537 C CE2 TYR 334 . . A 1 2.633 68.349 73.155 1 2 ? CE2 TYR 334 A 1 +ATOM 2538 C CZ TYR 334 . . A 1 3.521 69.399 72.89 1 4.53 ? CZ TYR 334 A 1 +ATOM 2539 O OH TYR 334 . . A 1 3.049 70.651 72.554 1 11.53 ? OH TYR 334 A 1 +ATOM 2540 N N GLY 335 . . A 1 6.595 63.194 75.819 1 6.87 ? N GLY 335 A 1 +ATOM 2541 C CA GLY 335 . . A 1 6.176 61.96 76.48 1 7.35 ? CA GLY 335 A 1 +ATOM 2542 C C GLY 335 . . A 1 7.252 61.095 77.07 1 9.23 ? C GLY 335 A 1 +ATOM 2543 O O GLY 335 . . A 1 7.053 59.912 77.296 1 7.96 ? O GLY 335 A 1 +ATOM 2544 N N ALA 336 . . A 1 8.413 61.661 77.332 1 10.09 ? N ALA 336 A 1 +ATOM 2545 C CA ALA 336 . . A 1 9.487 60.899 77.92 1 11.9 ? CA ALA 336 A 1 +ATOM 2546 C C ALA 336 . . A 1 9.673 61.485 79.315 1 15.96 ? C ALA 336 A 1 +ATOM 2547 O O ALA 336 . . A 1 9.58 62.702 79.5 1 18.28 ? O ALA 336 A 1 +ATOM 2548 C CB ALA 336 . . A 1 10.768 61.057 77.107 1 15.83 ? CB ALA 336 A 1 +ATOM 2549 N N PRO 337 . . A 1 9.904 60.61 80.308 1 15.53 ? N PRO 337 A 1 +ATOM 2550 C CA PRO 337 . . A 1 9.985 61.082 81.683 1 14.25 ? CA PRO 337 A 1 +ATOM 2551 C C PRO 337 . . A 1 11.283 61.808 82.017 1 15.93 ? C PRO 337 A 1 +ATOM 2552 O O PRO 337 . . A 1 12.366 61.243 81.891 1 15.63 ? O PRO 337 A 1 +ATOM 2553 C CB PRO 337 . . A 1 9.91 59.789 82.5 1 16.93 ? CB PRO 337 A 1 +ATOM 2554 C CG PRO 337 . . A 1 10.331 58.651 81.553 1 17.25 ? CG PRO 337 A 1 +ATOM 2555 C CD PRO 337 . . A 1 9.995 59.158 80.154 1 17.55 ? CD PRO 337 A 1 +ATOM 2556 N N GLY 338 . . A 1 11.154 63.059 82.479 1 14.88 ? N GLY 338 A 1 +ATOM 2557 C CA GLY 338 . . A 1 12.336 63.815 82.855 1 14.54 ? CA GLY 338 A 1 +ATOM 2558 C C GLY 338 . . A 1 12.454 65.113 82.127 1 17.81 ? C GLY 338 A 1 +ATOM 2559 O O GLY 338 . . A 1 13.127 66.053 82.554 1 22.81 ? O GLY 338 A 1 +ATOM 2560 N N PHE 339 . . A 1 11.757 65.184 80.999 1 19.32 ? N PHE 339 A 1 +ATOM 2561 C CA PHE 339 . . A 1 11.838 66.393 80.199 1 13.96 ? CA PHE 339 A 1 +ATOM 2562 C C PHE 339 . . A 1 10.696 67.272 80.539 1 13.96 ? C PHE 339 A 1 +ATOM 2563 O O PHE 339 . . A 1 9.606 66.77 80.776 1 22.31 ? O PHE 339 A 1 +ATOM 2564 C CB PHE 339 . . A 1 11.708 66.044 78.717 1 10.64 ? CB PHE 339 A 1 +ATOM 2565 C CG PHE 339 . . A 1 12.837 65.169 78.27 1 3.88 ? CG PHE 339 A 1 +ATOM 2566 C CD1 PHE 339 . . A 1 12.76 63.776 78.437 1 2.63 ? CD1 PHE 339 A 1 +ATOM 2567 C CD2 PHE 339 . . A 1 13.967 65.743 77.68 1 2 ? CD2 PHE 339 A 1 +ATOM 2568 C CE1 PHE 339 . . A 1 13.811 62.968 78.001 1 2.88 ? CE1 PHE 339 A 1 +ATOM 2569 C CE2 PHE 339 . . A 1 15.001 64.936 77.218 1 2 ? CE2 PHE 339 A 1 +ATOM 2570 C CZ PHE 339 . . A 1 14.928 63.553 77.384 1 2 ? CZ PHE 339 A 1 +ATOM 2571 N N SER 340 . . A 1 10.907 68.57 80.551 1 5.93 ? N SER 340 A 1 +ATOM 2572 C CA SER 340 . . A 1 9.788 69.412 80.861 1 8.24 ? CA SER 340 A 1 +ATOM 2573 C C SER 340 . . A 1 10.176 70.702 80.211 1 9.54 ? C SER 340 A 1 +ATOM 2574 O O SER 340 . . A 1 11.351 71.018 80.104 1 12.25 ? O SER 340 A 1 +ATOM 2575 C CB SER 340 . . A 1 9.52 69.474 82.37 1 13.24 ? CB SER 340 A 1 +ATOM 2576 O OG SER 340 . . A 1 10.769 69.483 83.055 1 20.34 ? OG SER 340 A 1 +ATOM 2577 N N LYS 341 . . A 1 9.165 71.447 79.776 1 8.55 ? N LYS 341 A 1 +ATOM 2578 C CA LYS 341 . . A 1 9.393 72.688 79.084 1 6.09 ? CA LYS 341 A 1 +ATOM 2579 C C LYS 341 . . A 1 10.149 73.771 79.809 1 10.8 ? C LYS 341 A 1 +ATOM 2580 O O LYS 341 . . A 1 10.918 74.49 79.193 1 16.03 ? O LYS 341 A 1 +ATOM 2581 C CB LYS 341 . . A 1 8.028 73.295 78.73 1 8.3 ? CB LYS 341 A 1 +ATOM 2582 C CG LYS 341 . . A 1 8.154 74.489 77.781 1 12.38 ? CG LYS 341 A 1 +ATOM 2583 C CD LYS 341 . . A 1 6.811 75.078 77.352 1 17.57 ? CD LYS 341 A 1 +ATOM 2584 C CE LYS 341 . . A 1 6.425 76.349 78.108 1 20.78 ? CE LYS 341 A 1 +ATOM 2585 N NZ LYS 341 . . A 1 5.582 75.995 79.23 1 27.83 ? NZ LYS 341 A 1 +ATOM 2586 N N ASP 342 . . A 1 9.896 73.931 81.115 1 11.84 ? N ASP 342 A 1 +ATOM 2587 C CA ASP 342 . . A 1 10.561 75.064 81.769 1 10.44 ? CA ASP 342 A 1 +ATOM 2588 C C ASP 342 . . A 1 11.803 74.749 82.55 1 11.23 ? C ASP 342 A 1 +ATOM 2589 O O ASP 342 . . A 1 12.316 75.581 83.279 1 11.16 ? O ASP 342 A 1 +ATOM 2590 C CB ASP 342 . . A 1 9.553 75.748 82.683 1 13.39 ? CB ASP 342 A 1 +ATOM 2591 C CG ASP 342 . . A 1 8.298 76.132 81.915 1 18.79 ? CG ASP 342 A 1 +ATOM 2592 O OD1 ASP 342 . . A 1 8.437 76.553 80.772 1 19.02 ? OD1 ASP 342 A 1 +ATOM 2593 O OD2 ASP 342 . . A 1 7.189 76.011 82.446 1 26.74 ? OD2 ASP 342 A 1 +ATOM 2594 N N SER 343 . . A 1 12.27 73.537 82.398 1 12.35 ? N SER 343 A 1 +ATOM 2595 C CA SER 343 . . A 1 13.432 73.038 83.083 1 13.1 ? CA SER 343 A 1 +ATOM 2596 C C SER 343 . . A 1 14.442 72.8 81.979 1 14.58 ? C SER 343 A 1 +ATOM 2597 O O SER 343 . . A 1 14.082 72.847 80.821 1 22.87 ? O SER 343 A 1 +ATOM 2598 C CB SER 343 . . A 1 12.901 71.703 83.628 1 9.72 ? CB SER 343 A 1 +ATOM 2599 O OG SER 343 . . A 1 13.862 70.896 84.288 1 24.12 ? OG SER 343 A 1 +ATOM 2600 N N GLU 344 . . A 1 15.701 72.514 82.304 1 12.45 ? N GLU 344 A 1 +ATOM 2601 C CA GLU 344 . . A 1 16.664 72.234 81.208 1 12.6 ? CA GLU 344 A 1 +ATOM 2602 C C GLU 344 . . A 1 16.839 70.723 81.029 1 14.76 ? C GLU 344 A 1 +ATOM 2603 O O GLU 344 . . A 1 17.855 70.186 80.595 1 12.18 ? O GLU 344 A 1 +ATOM 2604 C CB GLU 344 . . A 1 18.042 72.927 81.38 1 16.85 ? CB GLU 344 A 1 +ATOM 2605 C CG GLU 344 . . A 1 18.786 72.592 82.679 1 22.04 ? CG GLU 344 A 1 +ATOM 2606 N N SER 345 . . A 1 15.812 70.055 81.504 1 14.52 ? N SER 345 A 1 +ATOM 2607 C CA SER 345 . . A 1 15.761 68.621 81.409 1 17.55 ? CA SER 345 A 1 +ATOM 2608 C C SER 345 . . A 1 17.032 67.777 81.415 1 20.59 ? C SER 345 A 1 +ATOM 2609 O O SER 345 . . A 1 17.349 67.167 80.404 1 21.82 ? O SER 345 A 1 +ATOM 2610 C CB SER 345 . . A 1 14.978 68.355 80.137 1 16.43 ? CB SER 345 A 1 +ATOM 2611 O OG SER 345 . . A 1 13.731 69.049 80.314 1 18.13 ? OG SER 345 A 1 +ATOM 2612 N N LYS 346 . . A 1 17.716 67.723 82.579 1 21.86 ? N LYS 346 A 1 +ATOM 2613 C CA LYS 346 . . A 1 18.91 66.879 82.705 1 23.77 ? CA LYS 346 A 1 +ATOM 2614 C C LYS 346 . . A 1 18.369 65.497 83.043 1 25 ? C LYS 346 A 1 +ATOM 2615 O O LYS 346 . . A 1 17.66 65.332 84.033 1 29.16 ? O LYS 346 A 1 +ATOM 2616 C CB LYS 346 . . A 1 19.81 67.439 83.801 1 24.4 ? CB LYS 346 A 1 +ATOM 2617 C CG LYS 346 . . A 1 20.523 68.699 83.294 1 33.23 ? CG LYS 346 A 1 +ATOM 2618 C CD LYS 346 . . A 1 21.118 69.581 84.404 1 39.97 ? CD LYS 346 A 1 +ATOM 2619 C CE LYS 346 . . A 1 22.034 70.688 83.836 1 45.95 ? CE LYS 346 A 1 +ATOM 2620 N NZ LYS 346 . . A 1 21.742 71.993 84.41 1 51.42 ? NZ LYS 346 A 1 +ATOM 2621 N N ILE 347 . . A 1 18.678 64.494 82.229 1 25.23 ? N ILE 347 A 1 +ATOM 2622 C CA ILE 347 . . A 1 18.097 63.181 82.513 1 24.86 ? CA ILE 347 A 1 +ATOM 2623 C C ILE 347 . . A 1 19.087 62.314 83.248 1 24.84 ? C ILE 347 A 1 +ATOM 2624 O O ILE 347 . . A 1 20.276 62.293 82.982 1 25.36 ? O ILE 347 A 1 +ATOM 2625 C CB ILE 347 . . A 1 17.521 62.564 81.206 1 20.35 ? CB ILE 347 A 1 +ATOM 2626 C CG1 ILE 347 . . A 1 16.094 63.087 80.926 1 19.69 ? CG1 ILE 347 A 1 +ATOM 2627 C CG2 ILE 347 . . A 1 17.475 61.029 81.185 1 18.16 ? CG2 ILE 347 A 1 +ATOM 2628 C CD1 ILE 347 . . A 1 15.975 64.597 80.697 1 12.3 ? CD1 ILE 347 A 1 +ATOM 2629 N N SER 348 . . A 1 18.517 61.576 84.19 1 22.6 ? N SER 348 A 1 +ATOM 2630 C CA SER 348 . . A 1 19.28 60.669 85.023 1 22.96 ? CA SER 348 A 1 +ATOM 2631 C C SER 348 . . A 1 19.473 59.374 84.291 1 25.12 ? C SER 348 A 1 +ATOM 2632 O O SER 348 . . A 1 18.705 59.101 83.376 1 29.86 ? O SER 348 A 1 +ATOM 2633 C CB SER 348 . . A 1 18.412 60.381 86.27 1 22.94 ? CB SER 348 A 1 +ATOM 2634 O OG SER 348 . . A 1 17.043 60.109 85.921 1 21.81 ? OG SER 348 A 1 +ATOM 2635 N N ARG 349 . . A 1 20.421 58.52 84.727 1 26.78 ? N ARG 349 A 1 +ATOM 2636 C CA ARG 349 . . A 1 20.509 57.267 83.982 1 26.44 ? CA ARG 349 A 1 +ATOM 2637 C C ARG 349 . . A 1 19.252 56.469 84.092 1 23.3 ? C ARG 349 A 1 +ATOM 2638 O O ARG 349 . . A 1 18.958 55.655 83.241 1 23.92 ? O ARG 349 A 1 +ATOM 2639 C CB ARG 349 . . A 1 21.692 56.337 84.303 1 28.34 ? CB ARG 349 A 1 +ATOM 2640 C CG ARG 349 . . A 1 23.027 56.81 83.672 1 39.36 ? CG ARG 349 A 1 +ATOM 2641 C CD ARG 349 . . A 1 23.038 57.123 82.138 1 42.13 ? CD ARG 349 A 1 +ATOM 2642 N NE ARG 349 . . A 1 23.855 56.244 81.299 1 42.13 ? NE ARG 349 A 1 +ATOM 2643 C CZ ARG 349 . . A 1 23.557 54.954 81.069 1 43.18 ? CZ ARG 349 A 1 +ATOM 2644 N NH1 ARG 349 . . A 1 22.555 54.338 81.691 1 44.85 ? NH1 ARG 349 A 1 +ATOM 2645 N NH2 ARG 349 . . A 1 24.288 54.268 80.201 1 43.64 ? NH2 ARG 349 A 1 +ATOM 2646 N N GLU 350 . . A 1 18.488 56.699 85.144 1 26.9 ? N GLU 350 A 1 +ATOM 2647 C CA GLU 350 . . A 1 17.263 55.911 85.222 1 31.45 ? CA GLU 350 A 1 +ATOM 2648 C C GLU 350 . . A 1 16.301 56.334 84.127 1 30.75 ? C GLU 350 A 1 +ATOM 2649 O O GLU 350 . . A 1 15.825 55.539 83.332 1 33.01 ? O GLU 350 A 1 +ATOM 2650 C CB GLU 350 . . A 1 16.599 55.97 86.622 1 35.7 ? CB GLU 350 A 1 +ATOM 2651 C CG GLU 350 . . A 1 15.595 54.81 86.857 1 42.44 ? CG GLU 350 A 1 +ATOM 2652 N N ASP 351 . . A 1 16.039 57.637 84.077 1 29.4 ? N ASP 351 A 1 +ATOM 2653 C CA ASP 351 . . A 1 15.114 58.079 83.044 1 28.05 ? CA ASP 351 A 1 +ATOM 2654 C C ASP 351 . . A 1 15.675 57.927 81.642 1 27.22 ? C ASP 351 A 1 +ATOM 2655 O O ASP 351 . . A 1 14.95 57.87 80.655 1 30.6 ? O ASP 351 A 1 +ATOM 2656 C CB ASP 351 . . A 1 14.65 59.51 83.302 1 28.99 ? CB ASP 351 A 1 +ATOM 2657 C CG ASP 351 . . A 1 13.711 59.62 84.492 1 28.45 ? CG ASP 351 A 1 +ATOM 2658 O OD1 ASP 351 . . A 1 12.964 58.665 84.744 1 26.02 ? OD1 ASP 351 A 1 +ATOM 2659 O OD2 ASP 351 . . A 1 13.732 60.665 85.149 1 27.93 ? OD2 ASP 351 A 1 +ATOM 2660 N N PHE 352 . . A 1 17.001 57.87 81.56 1 24.01 ? N PHE 352 A 1 +ATOM 2661 C CA PHE 352 . . A 1 17.655 57.687 80.279 1 19.62 ? CA PHE 352 A 1 +ATOM 2662 C C PHE 352 . . A 1 17.26 56.333 79.769 1 19.15 ? C PHE 352 A 1 +ATOM 2663 O O PHE 352 . . A 1 16.744 56.171 78.675 1 25.45 ? O PHE 352 A 1 +ATOM 2664 C CB PHE 352 . . A 1 19.18 57.737 80.436 1 18.2 ? CB PHE 352 A 1 +ATOM 2665 C CG PHE 352 . . A 1 19.923 57.384 79.172 1 18.83 ? CG PHE 352 A 1 +ATOM 2666 C CD1 PHE 352 . . A 1 20.242 58.377 78.231 1 21.32 ? CD1 PHE 352 A 1 +ATOM 2667 C CD2 PHE 352 . . A 1 20.326 56.058 78.941 1 15.96 ? CD2 PHE 352 A 1 +ATOM 2668 C CE1 PHE 352 . . A 1 20.986 58.048 77.086 1 21.96 ? CE1 PHE 352 A 1 +ATOM 2669 C CE2 PHE 352 . . A 1 21.057 55.728 77.794 1 14.3 ? CE2 PHE 352 A 1 +ATOM 2670 C CZ PHE 352 . . A 1 21.399 56.724 76.869 1 18.25 ? CZ PHE 352 A 1 +ATOM 2671 N N MET 353 . . A 1 17.487 55.335 80.612 1 17.09 ? N MET 353 A 1 +ATOM 2672 C CA MET 353 . . A 1 17.134 53.996 80.193 1 18.52 ? CA MET 353 A 1 +ATOM 2673 C C MET 353 . . A 1 15.644 53.84 79.978 1 20.49 ? C MET 353 A 1 +ATOM 2674 O O MET 353 . . A 1 15.198 53.013 79.189 1 19.81 ? O MET 353 A 1 +ATOM 2675 C CB MET 353 . . A 1 17.754 52.953 81.11 1 19.65 ? CB MET 353 A 1 +ATOM 2676 C CG MET 353 . . A 1 19.295 53.119 81.05 1 18.12 ? CG MET 353 A 1 +ATOM 2677 N N SER 354 . . A 1 14.859 54.645 80.703 1 22.71 ? N SER 354 A 1 +ATOM 2678 C CA SER 354 . . A 1 13.424 54.538 80.475 1 25.84 ? CA SER 354 A 1 +ATOM 2679 C C SER 354 . . A 1 13.094 55.109 79.09 1 25.87 ? C SER 354 A 1 +ATOM 2680 O O SER 354 . . A 1 12.221 54.666 78.352 1 28.42 ? O SER 354 A 1 +ATOM 2681 C CB SER 354 . . A 1 12.633 55.339 81.526 1 27.61 ? CB SER 354 A 1 +ATOM 2682 O OG SER 354 . . A 1 13.05 55.077 82.868 1 35.58 ? OG SER 354 A 1 +ATOM 2683 N N GLY 355 . . A 1 13.847 56.145 78.754 1 23.04 ? N GLY 355 A 1 +ATOM 2684 C CA GLY 355 . . A 1 13.632 56.789 77.491 1 20.76 ? CA GLY 355 A 1 +ATOM 2685 C C GLY 355 . . A 1 13.913 55.887 76.33 1 20.74 ? C GLY 355 A 1 +ATOM 2686 O O GLY 355 . . A 1 13.065 55.716 75.465 1 20.96 ? O GLY 355 A 1 +ATOM 2687 N N VAL 356 . . A 1 15.118 55.281 76.33 1 16.58 ? N VAL 356 A 1 +ATOM 2688 C CA VAL 356 . . A 1 15.436 54.406 75.221 1 12.8 ? CA VAL 356 A 1 +ATOM 2689 C C VAL 356 . . A 1 14.445 53.285 75.072 1 12.89 ? C VAL 356 A 1 +ATOM 2690 O O VAL 356 . . A 1 14.189 52.86 73.962 1 20.26 ? O VAL 356 A 1 +ATOM 2691 C CB VAL 356 . . A 1 16.919 53.999 75.178 1 15.13 ? CB VAL 356 A 1 +ATOM 2692 C CG1 VAL 356 . . A 1 17.576 53.882 76.541 1 11.98 ? CG1 VAL 356 A 1 +ATOM 2693 C CG2 VAL 356 . . A 1 17.22 52.742 74.32 1 16.47 ? CG2 VAL 356 A 1 +ATOM 2694 N N LYS 357 . . A 1 13.868 52.798 76.158 1 17.12 ? N LYS 357 A 1 +ATOM 2695 C CA LYS 357 . . A 1 12.876 51.743 75.975 1 18.3 ? CA LYS 357 A 1 +ATOM 2696 C C LYS 357 . . A 1 11.719 52.291 75.167 1 16.64 ? C LYS 357 A 1 +ATOM 2697 O O LYS 357 . . A 1 11.169 51.615 74.316 1 20.77 ? O LYS 357 A 1 +ATOM 2698 C CB LYS 357 . . A 1 12.315 51.214 77.311 1 23.65 ? CB LYS 357 A 1 +ATOM 2699 C CG LYS 357 . . A 1 13.34 50.427 78.147 1 34.69 ? CG LYS 357 A 1 +ATOM 2700 C CD LYS 357 . . A 1 12.893 49.065 78.757 1 48.38 ? CD LYS 357 A 1 +ATOM 2701 C CE LYS 357 . . A 1 11.495 48.5 78.39 1 53.77 ? CE LYS 357 A 1 +ATOM 2702 N NZ LYS 357 . . A 1 11.366 48.161 76.97 1 58.39 ? NZ LYS 357 A 1 +ATOM 2703 N N LEU 358 . . A 1 11.354 53.539 75.448 1 16.56 ? N LEU 358 A 1 +ATOM 2704 C CA LEU 358 . . A 1 10.239 54.119 74.705 1 16.67 ? CA LEU 358 A 1 +ATOM 2705 C C LEU 358 . . A 1 10.595 54.389 73.255 1 19.85 ? C LEU 358 A 1 +ATOM 2706 O O LEU 358 . . A 1 9.729 54.354 72.389 1 26.58 ? O LEU 358 A 1 +ATOM 2707 C CB LEU 358 . . A 1 9.796 55.471 75.298 1 7.56 ? CB LEU 358 A 1 +ATOM 2708 C CG LEU 358 . . A 1 9.274 55.385 76.723 1 2 ? CG LEU 358 A 1 +ATOM 2709 C CD1 LEU 358 . . A 1 9.116 56.78 77.314 1 2 ? CD1 LEU 358 A 1 +ATOM 2710 C CD2 LEU 358 . . A 1 7.937 54.652 76.758 1 2 ? CD2 LEU 358 A 1 +ATOM 2711 N N SER 359 . . A 1 11.862 54.715 73.003 1 17.69 ? N SER 359 A 1 +ATOM 2712 C CA SER 359 . . A 1 12.256 54.998 71.638 1 15.36 ? CA SER 359 A 1 +ATOM 2713 C C SER 359 . . A 1 12.405 53.77 70.792 1 16.54 ? C SER 359 A 1 +ATOM 2714 O O SER 359 . . A 1 12.192 53.833 69.594 1 22.9 ? O SER 359 A 1 +ATOM 2715 C CB SER 359 . . A 1 13.594 55.739 71.579 1 13.6 ? CB SER 359 A 1 +ATOM 2716 O OG SER 359 . . A 1 13.573 56.801 72.535 1 20.22 ? OG SER 359 A 1 +ATOM 2717 N N VAL 360 . . A 1 12.759 52.645 71.391 1 11.65 ? N VAL 360 A 1 +ATOM 2718 C CA VAL 360 . . A 1 12.944 51.481 70.561 1 9.46 ? CA VAL 360 A 1 +ATOM 2719 C C VAL 360 . . A 1 11.964 50.393 70.96 1 12.11 ? C VAL 360 A 1 +ATOM 2720 O O VAL 360 . . A 1 12.368 49.333 71.408 1 16.36 ? O VAL 360 A 1 +ATOM 2721 C CB VAL 360 . . A 1 14.434 51.063 70.661 1 9.14 ? CB VAL 360 A 1 +ATOM 2722 C CG1 VAL 360 . . A 1 14.841 50.178 69.466 1 10.89 ? CG1 VAL 360 A 1 +ATOM 2723 C CG2 VAL 360 . . A 1 15.367 52.292 70.691 1 10.29 ? CG2 VAL 360 A 1 +ATOM 2724 N N PRO 361 . . A 1 10.655 50.62 70.779 1 15.18 ? N PRO 361 A 1 +ATOM 2725 C CA PRO 361 . . A 1 9.654 49.694 71.335 1 15.98 ? CA PRO 361 A 1 +ATOM 2726 C C PRO 361 . . A 1 9.757 48.242 70.921 1 19.48 ? C PRO 361 A 1 +ATOM 2727 O O PRO 361 . . A 1 9.177 47.348 71.504 1 23.85 ? O PRO 361 A 1 +ATOM 2728 C CB PRO 361 . . A 1 8.306 50.273 70.88 1 11.55 ? CB PRO 361 A 1 +ATOM 2729 C CG PRO 361 . . A 1 8.642 51.317 69.81 1 12.75 ? CG PRO 361 A 1 +ATOM 2730 C CD PRO 361 . . A 1 10.084 51.755 70.062 1 14.4 ? CD PRO 361 A 1 +ATOM 2731 N N HIS 362 . . A 1 10.477 48.02 69.845 1 25.44 ? N HIS 362 A 1 +ATOM 2732 C CA HIS 362 . . A 1 10.623 46.67 69.321 1 29.48 ? CA HIS 362 A 1 +ATOM 2733 C C HIS 362 . . A 1 11.939 46.025 69.693 1 30.3 ? C HIS 362 A 1 +ATOM 2734 O O HIS 362 . . A 1 12.196 44.881 69.334 1 34.95 ? O HIS 362 A 1 +ATOM 2735 C CB HIS 362 . . A 1 10.507 46.696 67.769 1 35.06 ? CB HIS 362 A 1 +ATOM 2736 C CG HIS 362 . . A 1 11.27 47.87 67.165 1 36.68 ? CG HIS 362 A 1 +ATOM 2737 N ND1 HIS 362 . . A 1 10.727 49.092 66.938 1 35.63 ? ND1 HIS 362 A 1 +ATOM 2738 C CD2 HIS 362 . . A 1 12.633 47.919 66.802 1 35.92 ? CD2 HIS 362 A 1 +ATOM 2739 C CE1 HIS 362 . . A 1 11.71 49.868 66.466 1 36.94 ? CE1 HIS 362 A 1 +ATOM 2740 N NE2 HIS 362 . . A 1 12.865 49.175 66.382 1 39.26 ? NE2 HIS 362 A 1 +ATOM 2741 N N ALA 363 . . A 1 12.812 46.774 70.361 1 25.05 ? N ALA 363 A 1 +ATOM 2742 C CA ALA 363 . . A 1 14.062 46.133 70.675 1 24.3 ? CA ALA 363 A 1 +ATOM 2743 C C ALA 363 . . A 1 13.848 45.186 71.823 1 26.94 ? C ALA 363 A 1 +ATOM 2744 O O ALA 363 . . A 1 12.951 45.319 72.646 1 27.66 ? O ALA 363 A 1 +ATOM 2745 C CB ALA 363 . . A 1 15.134 47.133 71.121 1 24.12 ? CB ALA 363 A 1 +ATOM 2746 N N ASN 364 . . A 1 14.749 44.213 71.849 1 25.62 ? N ASN 364 A 1 +ATOM 2747 C CA ASN 364 . . A 1 14.758 43.232 72.908 1 22.62 ? CA ASN 364 A 1 +ATOM 2748 C C ASN 364 . . A 1 15.867 43.752 73.798 1 24.4 ? C ASN 364 A 1 +ATOM 2749 O O ASN 364 . . A 1 16.571 44.705 73.484 1 24.24 ? O ASN 364 A 1 +ATOM 2750 C CB ASN 364 . . A 1 15.012 41.792 72.399 1 23.27 ? CB ASN 364 A 1 +ATOM 2751 C CG ASN 364 . . A 1 16.304 41.675 71.63 1 23.08 ? CG ASN 364 A 1 +ATOM 2752 O OD1 ASN 364 . . A 1 17.141 42.556 71.718 1 28.93 ? OD1 ASN 364 A 1 +ATOM 2753 N ND2 ASN 364 . . A 1 16.476 40.606 70.87 1 23.88 ? ND2 ASN 364 A 1 +ATOM 2754 N N ASP 365 . . A 1 16.056 43.061 74.917 1 27.48 ? N ASP 365 A 1 +ATOM 2755 C CA ASP 365 . . A 1 17.081 43.472 75.882 1 25.27 ? CA ASP 365 A 1 +ATOM 2756 C C ASP 365 . . A 1 18.43 43.73 75.275 1 25.82 ? C ASP 365 A 1 +ATOM 2757 O O ASP 365 . . A 1 19.141 44.68 75.568 1 28.02 ? O ASP 365 A 1 +ATOM 2758 C CB ASP 365 . . A 1 17.372 42.372 76.914 1 26.63 ? CB ASP 365 A 1 +ATOM 2759 N N LEU 366 . . A 1 18.782 42.827 74.38 1 23.27 ? N LEU 366 A 1 +ATOM 2760 C CA LEU 366 . . A 1 20.075 42.962 73.762 1 21.37 ? CA LEU 366 A 1 +ATOM 2761 C C LEU 366 . . A 1 20.147 44.191 72.883 1 21.66 ? C LEU 366 A 1 +ATOM 2762 O O LEU 366 . . A 1 21.144 44.898 72.806 1 22.93 ? O LEU 366 A 1 +ATOM 2763 C CB LEU 366 . . A 1 20.344 41.69 72.966 1 22.53 ? CB LEU 366 A 1 +ATOM 2764 C CG LEU 366 . . A 1 21.729 41.107 73.176 1 21.41 ? CG LEU 366 A 1 +ATOM 2765 C CD1 LEU 366 . . A 1 21.853 39.905 72.247 1 26.47 ? CD1 LEU 366 A 1 +ATOM 2766 C CD2 LEU 366 . . A 1 22.85 42.138 72.963 1 22.36 ? CD2 LEU 366 A 1 +ATOM 2767 N N GLY 367 . . A 1 19.025 44.444 72.229 1 18.78 ? N GLY 367 A 1 +ATOM 2768 C CA GLY 367 . . A 1 18.936 45.581 71.345 1 20.09 ? CA GLY 367 A 1 +ATOM 2769 C C GLY 367 . . A 1 19.094 46.861 72.104 1 19.16 ? C GLY 367 A 1 +ATOM 2770 O O GLY 367 . . A 1 19.884 47.713 71.725 1 17.49 ? O GLY 367 A 1 +ATOM 2771 N N LEU 368 . . A 1 18.342 46.96 73.218 1 19.69 ? N LEU 368 A 1 +ATOM 2772 C CA LEU 368 . . A 1 18.41 48.152 74.058 1 18.37 ? CA LEU 368 A 1 +ATOM 2773 C C LEU 368 . . A 1 19.844 48.33 74.525 1 18.27 ? C LEU 368 A 1 +ATOM 2774 O O LEU 368 . . A 1 20.426 49.409 74.485 1 15.58 ? O LEU 368 A 1 +ATOM 2775 C CB LEU 368 . . A 1 17.438 48.068 75.248 1 21.93 ? CB LEU 368 A 1 +ATOM 2776 C CG LEU 368 . . A 1 15.933 48.026 74.877 1 25.14 ? CG LEU 368 A 1 +ATOM 2777 C CD1 LEU 368 . . A 1 15.07 47.567 76.053 1 22.66 ? CD1 LEU 368 A 1 +ATOM 2778 C CD2 LEU 368 . . A 1 15.401 49.388 74.386 1 26.92 ? CD2 LEU 368 A 1 +ATOM 2779 N N ASP 369 . . A 1 20.428 47.189 74.923 1 18.38 ? N ASP 369 A 1 +ATOM 2780 C CA ASP 369 . . A 1 21.827 47.226 75.362 1 19.79 ? CA ASP 369 A 1 +ATOM 2781 C C ASP 369 . . A 1 22.745 47.793 74.289 1 19.98 ? C ASP 369 A 1 +ATOM 2782 O O ASP 369 . . A 1 23.653 48.575 74.568 1 20.06 ? O ASP 369 A 1 +ATOM 2783 C CB ASP 369 . . A 1 22.362 45.826 75.703 1 20.42 ? CB ASP 369 A 1 +ATOM 2784 C CG ASP 369 . . A 1 22.133 45.388 77.141 1 25.81 ? CG ASP 369 A 1 +ATOM 2785 O OD1 ASP 369 . . A 1 21.345 46.014 77.858 1 28.18 ? OD1 ASP 369 A 1 +ATOM 2786 O OD2 ASP 369 . . A 1 22.771 44.415 77.545 1 28.77 ? OD2 ASP 369 A 1 +ATOM 2787 N N ALA 370 . . A 1 22.475 47.355 73.042 1 19.57 ? N ALA 370 A 1 +ATOM 2788 C CA ALA 370 . . A 1 23.252 47.794 71.903 1 12.88 ? CA ALA 370 A 1 +ATOM 2789 C C ALA 370 . . A 1 23.109 49.283 71.682 1 13.98 ? C ALA 370 A 1 +ATOM 2790 O O ALA 370 . . A 1 24.088 49.947 71.36 1 17.14 ? O ALA 370 A 1 +ATOM 2791 C CB ALA 370 . . A 1 22.849 47.031 70.655 1 10.17 ? CB ALA 370 A 1 +ATOM 2792 N N VAL 371 . . A 1 21.89 49.808 71.859 1 13.39 ? N VAL 371 A 1 +ATOM 2793 C CA VAL 371 . . A 1 21.688 51.248 71.663 1 13.99 ? CA VAL 371 A 1 +ATOM 2794 C C VAL 371 . . A 1 22.48 52.053 72.704 1 14.95 ? C VAL 371 A 1 +ATOM 2795 O O VAL 371 . . A 1 23.202 52.998 72.393 1 18.4 ? O VAL 371 A 1 +ATOM 2796 C CB VAL 371 . . A 1 20.179 51.599 71.742 1 13.56 ? CB VAL 371 A 1 +ATOM 2797 C CG1 VAL 371 . . A 1 19.924 53.103 71.535 1 9.32 ? CG1 VAL 371 A 1 +ATOM 2798 C CG2 VAL 371 . . A 1 19.33 50.764 70.762 1 6.6 ? CG2 VAL 371 A 1 +ATOM 2799 N N THR 372 . . A 1 22.316 51.663 73.967 1 14.34 ? N THR 372 A 1 +ATOM 2800 C CA THR 372 . . A 1 23.003 52.331 75.058 1 13.68 ? CA THR 372 A 1 +ATOM 2801 C C THR 372 . . A 1 24.507 52.355 74.841 1 12.35 ? C THR 372 A 1 +ATOM 2802 O O THR 372 . . A 1 25.194 53.339 75.056 1 9.76 ? O THR 372 A 1 +ATOM 2803 C CB THR 372 . . A 1 22.682 51.541 76.319 1 18.11 ? CB THR 372 A 1 +ATOM 2804 O OG1 THR 372 . . A 1 21.272 51.359 76.415 1 21.72 ? OG1 THR 372 A 1 +ATOM 2805 C CG2 THR 372 . . A 1 23.187 52.181 77.614 1 26.75 ? CG2 THR 372 A 1 +ATOM 2806 N N LEU 373 . . A 1 25.014 51.219 74.372 1 12.03 ? N LEU 373 A 1 +ATOM 2807 C CA LEU 373 . . A 1 26.438 51.164 74.118 1 12.19 ? CA LEU 373 A 1 +ATOM 2808 C C LEU 373 . . A 1 26.899 52.318 73.242 1 15.5 ? C LEU 373 A 1 +ATOM 2809 O O LEU 373 . . A 1 27.837 53.027 73.567 1 15.29 ? O LEU 373 A 1 +ATOM 2810 C CB LEU 373 . . A 1 26.804 49.835 73.429 1 9.08 ? CB LEU 373 A 1 +ATOM 2811 C CG LEU 373 . . A 1 28.225 49.33 73.745 1 11.38 ? CG LEU 373 A 1 +ATOM 2812 C CD1 LEU 373 . . A 1 28.554 48.051 72.978 1 14.39 ? CD1 LEU 373 A 1 +ATOM 2813 C CD2 LEU 373 . . A 1 29.337 50.35 73.488 1 17.82 ? CD2 LEU 373 A 1 +ATOM 2814 N N GLN 374 . . A 1 26.163 52.495 72.132 1 20.44 ? N GLN 374 A 1 +ATOM 2815 C CA GLN 374 . . A 1 26.528 53.529 71.166 1 21.57 ? CA GLN 374 A 1 +ATOM 2816 C C GLN 374 . . A 1 26.289 54.941 71.597 1 22.18 ? C GLN 374 A 1 +ATOM 2817 O O GLN 374 . . A 1 27.07 55.833 71.3 1 23 ? O GLN 374 A 1 +ATOM 2818 C CB GLN 374 . . A 1 25.739 53.401 69.848 1 24.24 ? CB GLN 374 A 1 +ATOM 2819 C CG GLN 374 . . A 1 25.628 51.987 69.285 1 33.24 ? CG GLN 374 A 1 +ATOM 2820 C CD GLN 374 . . A 1 26.957 51.458 68.79 1 39.05 ? CD GLN 374 A 1 +ATOM 2821 O OE1 GLN 374 . . A 1 27.753 52.173 68.192 1 42.09 ? OE1 GLN 374 A 1 +ATOM 2822 N NE2 GLN 374 . . A 1 27.159 50.156 69.011 1 39.02 ? NE2 GLN 374 A 1 +ATOM 2823 N N TYR 375 . . A 1 25.159 55.138 72.272 1 20.75 ? N TYR 375 A 1 +ATOM 2824 C CA TYR 375 . . A 1 24.832 56.505 72.658 1 22.88 ? CA TYR 375 A 1 +ATOM 2825 C C TYR 375 . . A 1 25.365 56.972 74.005 1 25.42 ? C TYR 375 A 1 +ATOM 2826 O O TYR 375 . . A 1 25.221 58.143 74.345 1 26.36 ? O TYR 375 A 1 +ATOM 2827 C CB TYR 375 . . A 1 23.308 56.706 72.501 1 22.55 ? CB TYR 375 A 1 +ATOM 2828 C CG TYR 375 . . A 1 22.939 56.796 71.029 1 24.01 ? CG TYR 375 A 1 +ATOM 2829 C CD1 TYR 375 . . A 1 22.995 58.053 70.382 1 21.13 ? CD1 TYR 375 A 1 +ATOM 2830 C CD2 TYR 375 . . A 1 22.608 55.639 70.277 1 20.1 ? CD2 TYR 375 A 1 +ATOM 2831 C CE1 TYR 375 . . A 1 22.734 58.162 69.013 1 16.38 ? CE1 TYR 375 A 1 +ATOM 2832 C CE2 TYR 375 . . A 1 22.344 55.752 68.898 1 13.81 ? CE2 TYR 375 A 1 +ATOM 2833 C CZ TYR 375 . . A 1 22.4 57.021 68.275 1 17.25 ? CZ TYR 375 A 1 +ATOM 2834 O OH TYR 375 . . A 1 22.11 57.194 66.939 1 18.33 ? OH TYR 375 A 1 +ATOM 2835 N N THR 376 . . A 1 25.972 56.094 74.795 1 27.14 ? N THR 376 A 1 +ATOM 2836 C CA THR 376 . . A 1 26.466 56.558 76.079 1 26.81 ? CA THR 376 A 1 +ATOM 2837 C C THR 376 . . A 1 27.95 56.896 76.026 1 30 ? C THR 376 A 1 +ATOM 2838 O O THR 376 . . A 1 28.788 56.256 75.401 1 32.19 ? O THR 376 A 1 +ATOM 2839 C CB THR 376 . . A 1 26.248 55.429 77.102 1 24.27 ? CB THR 376 A 1 +ATOM 2840 O OG1 THR 376 . . A 1 24.848 55.183 77.221 1 26.14 ? OG1 THR 376 A 1 +ATOM 2841 C CG2 THR 376 . . A 1 26.772 55.689 78.525 1 26.13 ? CG2 THR 376 A 1 +ATOM 2842 N N ASP 377 . . A 1 28.267 57.974 76.756 1 32.9 ? N ASP 377 A 1 +ATOM 2843 C CA ASP 377 . . A 1 29.663 58.373 76.884 1 33.12 ? CA ASP 377 A 1 +ATOM 2844 C C ASP 377 . . A 1 30.088 57.62 78.138 1 33.75 ? C ASP 377 A 1 +ATOM 2845 O O ASP 377 . . A 1 29.853 58.093 79.246 1 35.52 ? O ASP 377 A 1 +ATOM 2846 C CB ASP 377 . . A 1 29.821 59.888 77.099 1 29.45 ? CB ASP 377 A 1 +ATOM 2847 C CG ASP 377 . . A 1 31.259 60.278 77.411 1 32.39 ? CG ASP 377 A 1 +ATOM 2848 O OD1 ASP 377 . . A 1 32.052 59.407 77.779 1 31.09 ? OD1 ASP 377 A 1 +ATOM 2849 O OD2 ASP 377 . . A 1 31.587 61.456 77.284 1 36.13 ? OD2 ASP 377 A 1 +ATOM 2850 N N TRP 378 . . A 1 30.724 56.467 77.964 1 33.67 ? N TRP 378 A 1 +ATOM 2851 C CA TRP 378 . . A 1 31.115 55.677 79.118 1 32.74 ? CA TRP 378 A 1 +ATOM 2852 C C TRP 378 . . A 1 32.033 56.368 80.072 1 35.4 ? C TRP 378 A 1 +ATOM 2853 O O TRP 378 . . A 1 32.005 56.047 81.25 1 38.33 ? O TRP 378 A 1 +ATOM 2854 C CB TRP 378 . . A 1 31.63 54.292 78.729 1 34.03 ? CB TRP 378 A 1 +ATOM 2855 C CG TRP 378 . . A 1 30.471 53.588 78.076 1 34.63 ? CG TRP 378 A 1 +ATOM 2856 C CD1 TRP 378 . . A 1 30.183 53.518 76.694 1 35.42 ? CD1 TRP 378 A 1 +ATOM 2857 C CD2 TRP 378 . . A 1 29.417 52.973 78.756 1 33.28 ? CD2 TRP 378 A 1 +ATOM 2858 N NE1 TRP 378 . . A 1 29 52.899 76.494 1 35.74 ? NE1 TRP 378 A 1 +ATOM 2859 C CE2 TRP 378 . . A 1 28.471 52.533 77.709 1 34.52 ? CE2 TRP 378 A 1 +ATOM 2860 C CE3 TRP 378 . . A 1 29.112 52.79 80.102 1 32.54 ? CE3 TRP 378 A 1 +ATOM 2861 C CZ2 TRP 378 . . A 1 27.263 51.928 78.09 1 33.96 ? CZ2 TRP 378 A 1 +ATOM 2862 C CZ3 TRP 378 . . A 1 27.891 52.181 80.439 1 37.5 ? CZ3 TRP 378 A 1 +ATOM 2863 C CH2 TRP 378 . . A 1 26.978 51.757 79.451 1 33.89 ? CH2 TRP 378 A 1 +ATOM 2864 N N MET 379 . . A 1 32.825 57.343 79.609 1 35.43 ? N MET 379 A 1 +ATOM 2865 C CA MET 379 . . A 1 33.697 58.015 80.583 1 38.11 ? CA MET 379 A 1 +ATOM 2866 C C MET 379 . . A 1 33.006 59.171 81.323 1 37.63 ? C MET 379 A 1 +ATOM 2867 O O MET 379 . . A 1 33.621 60.03 81.937 1 37.01 ? O MET 379 A 1 +ATOM 2868 C CB MET 379 . . A 1 34.997 58.503 79.946 1 39.47 ? CB MET 379 A 1 +ATOM 2869 C CG MET 379 . . A 1 36.089 58.677 81.013 1 48.58 ? CG MET 379 A 1 +ATOM 2870 S SD MET 379 . . A 1 37.63 59.176 80.217 1 60.48 ? SD MET 379 A 1 +ATOM 2871 C CE MET 379 . . A 1 38.186 57.574 79.529 1 60.32 ? CE MET 379 A 1 +ATOM 2872 N N ASP 380 . . A 1 31.684 59.21 81.242 1 37.26 ? N ASP 380 A 1 +ATOM 2873 C CA ASP 380 . . A 1 30.95 60.276 81.901 1 35.2 ? CA ASP 380 A 1 +ATOM 2874 C C ASP 380 . . A 1 29.496 59.852 82.031 1 36.78 ? C ASP 380 A 1 +ATOM 2875 O O ASP 380 . . A 1 28.558 60.633 82.001 1 36.31 ? O ASP 380 A 1 +ATOM 2876 C CB ASP 380 . . A 1 31.085 61.573 81.08 1 37.41 ? CB ASP 380 A 1 +ATOM 2877 C CG ASP 380 . . A 1 30.946 62.833 81.916 1 42.24 ? CG ASP 380 A 1 +ATOM 2878 O OD1 ASP 380 . . A 1 30.115 62.841 82.818 1 44.95 ? OD1 ASP 380 A 1 +ATOM 2879 O OD2 ASP 380 . . A 1 31.68 63.796 81.681 1 46.59 ? OD2 ASP 380 A 1 +ATOM 2880 N N ASP 381 . . A 1 29.362 58.537 82.159 1 39.63 ? N ASP 381 A 1 +ATOM 2881 C CA ASP 381 . . A 1 28.137 57.774 82.303 1 41.26 ? CA ASP 381 A 1 +ATOM 2882 C C ASP 381 . . A 1 26.898 58.498 82.853 1 40.3 ? C ASP 381 A 1 +ATOM 2883 O O ASP 381 . . A 1 25.862 58.482 82.204 1 41.14 ? O ASP 381 A 1 +ATOM 2884 C CB ASP 381 . . A 1 28.52 56.477 83.058 1 44.63 ? CB ASP 381 A 1 +ATOM 2885 C CG ASP 381 . . A 1 27.429 55.697 83.761 1 53.35 ? CG ASP 381 A 1 +ATOM 2886 O OD1 ASP 381 . . A 1 26.283 55.738 83.316 1 56.74 ? OD1 ASP 381 A 1 +ATOM 2887 O OD2 ASP 381 . . A 1 27.743 55.043 84.76 1 59.44 ? OD2 ASP 381 A 1 +ATOM 2888 N N ASN 382 . . A 1 27.006 59.118 84.031 1 42.03 ? N ASN 382 A 1 +ATOM 2889 C CA ASN 382 . . A 1 25.865 59.779 84.67 1 41.65 ? CA ASN 382 A 1 +ATOM 2890 C C ASN 382 . . A 1 25.642 61.248 84.35 1 42 ? C ASN 382 A 1 +ATOM 2891 O O ASN 382 . . A 1 24.947 61.916 85.107 1 45.11 ? O ASN 382 A 1 +ATOM 2892 C CB ASN 382 . . A 1 26.124 59.744 86.202 1 39.34 ? CB ASN 382 A 1 +ATOM 2893 N N ASN 383 . . A 1 26.225 61.785 83.267 1 41.46 ? N ASN 383 A 1 +ATOM 2894 C CA ASN 383 . . A 1 26.01 63.225 83.006 1 35.71 ? CA ASN 383 A 1 +ATOM 2895 C C ASN 383 . . A 1 24.62 63.545 82.472 1 33.59 ? C ASN 383 A 1 +ATOM 2896 O O ASN 383 . . A 1 24.279 63.254 81.336 1 38.41 ? O ASN 383 A 1 +ATOM 2897 C CB ASN 383 . . A 1 27.083 63.795 82.076 1 31.38 ? CB ASN 383 A 1 +ATOM 2898 C CG ASN 383 . . A 1 26.928 65.278 81.831 1 32.86 ? CG ASN 383 A 1 +ATOM 2899 O OD1 ASN 383 . . A 1 25.842 65.826 81.848 1 35.62 ? OD1 ASN 383 A 1 +ATOM 2900 N ND2 ASN 383 . . A 1 28.04 65.962 81.597 1 33.67 ? ND2 ASN 383 A 1 +ATOM 2901 N N GLY 384 . . A 1 23.85 64.252 83.289 1 30.8 ? N GLY 384 A 1 +ATOM 2902 C CA GLY 384 . . A 1 22.496 64.597 82.893 1 27.25 ? CA GLY 384 A 1 +ATOM 2903 C C GLY 384 . . A 1 22.328 65.341 81.593 1 22.82 ? C GLY 384 A 1 +ATOM 2904 O O GLY 384 . . A 1 21.356 65.15 80.884 1 24.91 ? O GLY 384 A 1 +ATOM 2905 N N ILE 385 . . A 1 23.257 66.223 81.275 1 19.5 ? N ILE 385 A 1 +ATOM 2906 C CA ILE 385 . . A 1 23.151 66.941 80.018 1 21.44 ? CA ILE 385 A 1 +ATOM 2907 C C ILE 385 . . A 1 23.415 65.938 78.883 1 21.19 ? C ILE 385 A 1 +ATOM 2908 O O ILE 385 . . A 1 22.682 65.776 77.911 1 22.17 ? O ILE 385 A 1 +ATOM 2909 C CB ILE 385 . . A 1 24.161 68.106 80.037 1 22.64 ? CB ILE 385 A 1 +ATOM 2910 C CG1 ILE 385 . . A 1 23.678 69.272 80.907 1 25.55 ? CG1 ILE 385 A 1 +ATOM 2911 C CG2 ILE 385 . . A 1 24.55 68.612 78.65 1 26.15 ? CG2 ILE 385 A 1 +ATOM 2912 C CD1 ILE 385 . . A 1 22.582 70.084 80.198 1 31.32 ? CD1 ILE 385 A 1 +ATOM 2913 N N LYS 386 . . A 1 24.507 65.208 79.051 1 19.41 ? N LYS 386 A 1 +ATOM 2914 C CA LYS 386 . . A 1 24.846 64.229 78.03 1 16.41 ? CA LYS 386 A 1 +ATOM 2915 C C LYS 386 . . A 1 23.746 63.214 77.802 1 15.5 ? C LYS 386 A 1 +ATOM 2916 O O LYS 386 . . A 1 23.52 62.748 76.696 1 19.02 ? O LYS 386 A 1 +ATOM 2917 C CB LYS 386 . . A 1 26.163 63.511 78.355 1 15.67 ? CB LYS 386 A 1 +ATOM 2918 C CG LYS 386 . . A 1 27.363 64.47 78.269 1 13.97 ? CG LYS 386 A 1 +ATOM 2919 C CD LYS 386 . . A 1 28.705 63.748 78.404 1 22.76 ? CD LYS 386 A 1 +ATOM 2920 C CE LYS 386 . . A 1 29.899 64.709 78.258 1 29.85 ? CE LYS 386 A 1 +ATOM 2921 N NZ LYS 386 . . A 1 31.167 63.988 78.174 1 32.24 ? NZ LYS 386 A 1 +ATOM 2922 N N ASN 387 . . A 1 23.045 62.872 78.863 1 14.39 ? N ASN 387 A 1 +ATOM 2923 C CA ASN 387 . . A 1 21.969 61.905 78.713 1 15.86 ? CA ASN 387 A 1 +ATOM 2924 C C ASN 387 . . A 1 20.782 62.521 78.022 1 15.13 ? C ASN 387 A 1 +ATOM 2925 O O ASN 387 . . A 1 20.085 61.866 77.261 1 17.02 ? O ASN 387 A 1 +ATOM 2926 C CB ASN 387 . . A 1 21.521 61.34 80.07 1 21.64 ? CB ASN 387 A 1 +ATOM 2927 C CG ASN 387 . . A 1 22.53 60.443 80.766 1 28.33 ? CG ASN 387 A 1 +ATOM 2928 O OD1 ASN 387 . . A 1 22.41 60.183 81.952 1 35.96 ? OD1 ASN 387 A 1 +ATOM 2929 N ND2 ASN 387 . . A 1 23.541 59.943 80.033 1 29.77 ? ND2 ASN 387 A 1 +ATOM 2930 N N ARG 388 . . A 1 20.558 63.808 78.281 1 11.15 ? N ARG 388 A 1 +ATOM 2931 C CA ARG 388 . . A 1 19.43 64.467 77.645 1 11.5 ? CA ARG 388 A 1 +ATOM 2932 C C ARG 388 . . A 1 19.648 64.479 76.139 1 13.43 ? C ARG 388 A 1 +ATOM 2933 O O ARG 388 . . A 1 18.815 64.11 75.308 1 10.98 ? O ARG 388 A 1 +ATOM 2934 C CB ARG 388 . . A 1 19.34 65.916 78.167 1 9.27 ? CB ARG 388 A 1 +ATOM 2935 C CG ARG 388 . . A 1 18.216 66.78 77.556 1 7.23 ? CG ARG 388 A 1 +ATOM 2936 C CD ARG 388 . . A 1 18.418 68.277 77.829 1 10.14 ? CD ARG 388 A 1 +ATOM 2937 N NE ARG 388 . . A 1 19.677 68.697 77.262 1 9.96 ? NE ARG 388 A 1 +ATOM 2938 C CZ ARG 388 . . A 1 20.276 69.841 77.586 1 14.29 ? CZ ARG 388 A 1 +ATOM 2939 N NH1 ARG 388 . . A 1 19.71 70.708 78.412 1 19.41 ? NH1 ARG 388 A 1 +ATOM 2940 N NH2 ARG 388 . . A 1 21.468 70.114 77.068 1 21.28 ? NH2 ARG 388 A 1 +ATOM 2941 N N ASP 389 . . A 1 20.858 64.938 75.812 1 10.11 ? N ASP 389 A 1 +ATOM 2942 C CA ASP 389 . . A 1 21.227 65.033 74.418 1 6.98 ? CA ASP 389 A 1 +ATOM 2943 C C ASP 389 . . A 1 21.295 63.682 73.756 1 6.78 ? C ASP 389 A 1 +ATOM 2944 O O ASP 389 . . A 1 20.832 63.526 72.638 1 11.27 ? O ASP 389 A 1 +ATOM 2945 C CB ASP 389 . . A 1 22.537 65.804 74.258 1 11.29 ? CB ASP 389 A 1 +ATOM 2946 C CG ASP 389 . . A 1 22.402 67.288 74.636 1 17.29 ? CG ASP 389 A 1 +ATOM 2947 O OD1 ASP 389 . . A 1 21.275 67.756 74.811 1 17.15 ? OD1 ASP 389 A 1 +ATOM 2948 O OD2 ASP 389 . . A 1 23.423 67.979 74.735 1 17.35 ? OD2 ASP 389 A 1 +ATOM 2949 N N GLY 390 . . A 1 21.829 62.673 74.429 1 3.73 ? N GLY 390 A 1 +ATOM 2950 C CA GLY 390 . . A 1 21.891 61.375 73.763 1 6.75 ? CA GLY 390 A 1 +ATOM 2951 C C GLY 390 . . A 1 20.517 60.854 73.369 1 11.44 ? C GLY 390 A 1 +ATOM 2952 O O GLY 390 . . A 1 20.28 60.3 72.303 1 18.6 ? O GLY 390 A 1 +ATOM 2953 N N LEU 391 . . A 1 19.56 61.102 74.239 1 12.73 ? N LEU 391 A 1 +ATOM 2954 C CA LEU 391 . . A 1 18.21 60.633 73.972 1 13.42 ? CA LEU 391 A 1 +ATOM 2955 C C LEU 391 . . A 1 17.604 61.378 72.8 1 12.34 ? C LEU 391 A 1 +ATOM 2956 O O LEU 391 . . A 1 16.874 60.877 71.957 1 11.07 ? O LEU 391 A 1 +ATOM 2957 C CB LEU 391 . . A 1 17.431 60.825 75.281 1 17.09 ? CB LEU 391 A 1 +ATOM 2958 C CG LEU 391 . . A 1 16.427 59.725 75.627 1 15.61 ? CG LEU 391 A 1 +ATOM 2959 C CD1 LEU 391 . . A 1 17.014 58.315 75.658 1 20.05 ? CD1 LEU 391 A 1 +ATOM 2960 C CD2 LEU 391 . . A 1 15.854 60.061 76.993 1 18.22 ? CD2 LEU 391 A 1 +ATOM 2961 N N ASP 392 . . A 1 17.964 62.645 72.739 1 13.63 ? N ASP 392 A 1 +ATOM 2962 C CA ASP 392 . . A 1 17.482 63.48 71.651 1 16.96 ? CA ASP 392 A 1 +ATOM 2963 C C ASP 392 . . A 1 18.015 62.979 70.298 1 21 ? C ASP 392 A 1 +ATOM 2964 O O ASP 392 . . A 1 17.426 63.204 69.238 1 25.56 ? O ASP 392 A 1 +ATOM 2965 C CB ASP 392 . . A 1 17.897 64.926 71.935 1 22.14 ? CB ASP 392 A 1 +ATOM 2966 C CG ASP 392 . . A 1 17.358 65.901 70.91 1 25.9 ? CG ASP 392 A 1 +ATOM 2967 O OD1 ASP 392 . . A 1 17.973 66.037 69.857 1 33.47 ? OD1 ASP 392 A 1 +ATOM 2968 O OD2 ASP 392 . . A 1 16.335 66.521 71.162 1 26.93 ? OD2 ASP 392 A 1 +ATOM 2969 N N ASP 393 . . A 1 19.156 62.283 70.341 1 19.36 ? N ASP 393 A 1 +ATOM 2970 C CA ASP 393 . . A 1 19.713 61.75 69.109 1 14.77 ? CA ASP 393 A 1 +ATOM 2971 C C ASP 393 . . A 1 19.246 60.355 68.865 1 16.13 ? C ASP 393 A 1 +ATOM 2972 O O ASP 393 . . A 1 19.321 59.871 67.745 1 15.95 ? O ASP 393 A 1 +ATOM 2973 C CB ASP 393 . . A 1 21.224 61.641 69.157 1 16.7 ? CB ASP 393 A 1 +ATOM 2974 C CG ASP 393 . . A 1 21.909 62.97 69.052 1 20.9 ? CG ASP 393 A 1 +ATOM 2975 O OD1 ASP 393 . . A 1 21.285 63.912 68.572 1 28.23 ? OD1 ASP 393 A 1 +ATOM 2976 O OD2 ASP 393 . . A 1 23.076 63.058 69.438 1 28.4 ? OD2 ASP 393 A 1 +ATOM 2977 N N ILE 394 . . A 1 18.806 59.67 69.917 1 16.81 ? N ILE 394 A 1 +ATOM 2978 C CA ILE 394 . . A 1 18.326 58.32 69.686 1 14.79 ? CA ILE 394 A 1 +ATOM 2979 C C ILE 394 . . A 1 17.034 58.468 68.911 1 14.4 ? C ILE 394 A 1 +ATOM 2980 O O ILE 394 . . A 1 16.827 57.899 67.848 1 15.07 ? O ILE 394 A 1 +ATOM 2981 C CB ILE 394 . . A 1 18.197 57.526 71.02 1 9.94 ? CB ILE 394 A 1 +ATOM 2982 C CG1 ILE 394 . . A 1 19.6 57.171 71.545 1 9.43 ? CG1 ILE 394 A 1 +ATOM 2983 C CG2 ILE 394 . . A 1 17.36 56.246 70.892 1 3.78 ? CG2 ILE 394 A 1 +ATOM 2984 C CD1 ILE 394 . . A 1 19.62 56.444 72.895 1 11.88 ? CD1 ILE 394 A 1 +ATOM 2985 N N VAL 395 . . A 1 16.159 59.314 69.44 1 17.14 ? N VAL 395 A 1 +ATOM 2986 C CA VAL 395 . . A 1 14.882 59.476 68.762 1 16.27 ? CA VAL 395 A 1 +ATOM 2987 C C VAL 395 . . A 1 15.066 59.986 67.326 1 18.15 ? C VAL 395 A 1 +ATOM 2988 O O VAL 395 . . A 1 14.518 59.477 66.36 1 17.08 ? O VAL 395 A 1 +ATOM 2989 C CB VAL 395 . . A 1 13.981 60.346 69.672 1 13.18 ? CB VAL 395 A 1 +ATOM 2990 C CG1 VAL 395 . . A 1 12.546 60.519 69.153 1 12.93 ? CG1 VAL 395 A 1 +ATOM 2991 C CG2 VAL 395 . . A 1 13.926 59.757 71.097 1 6.53 ? CG2 VAL 395 A 1 +ATOM 2992 N N GLY 396 . . A 1 15.891 61.009 67.18 1 21.58 ? N GLY 396 A 1 +ATOM 2993 C CA GLY 396 . . A 1 16.084 61.55 65.844 1 18.28 ? CA GLY 396 A 1 +ATOM 2994 C C GLY 396 . . A 1 16.695 60.588 64.847 1 16.4 ? C GLY 396 A 1 +ATOM 2995 O O GLY 396 . . A 1 16.185 60.406 63.751 1 23.24 ? O GLY 396 A 1 +ATOM 2996 N N ASP 397 . . A 1 17.805 59.961 65.219 1 12.43 ? N ASP 397 A 1 +ATOM 2997 C CA ASP 397 . . A 1 18.447 59.048 64.289 1 3.45 ? CA ASP 397 A 1 +ATOM 2998 C C ASP 397 . . A 1 17.594 57.853 63.993 1 5.71 ? C ASP 397 A 1 +ATOM 2999 O O ASP 397 . . A 1 17.481 57.433 62.852 1 11.98 ? O ASP 397 A 1 +ATOM 3000 C CB ASP 397 . . A 1 19.799 58.569 64.821 1 2.73 ? CB ASP 397 A 1 +ATOM 3001 C CG ASP 397 . . A 1 20.775 59.713 65.035 1 7.64 ? CG ASP 397 A 1 +ATOM 3002 O OD1 ASP 397 . . A 1 20.479 60.845 64.65 1 6.63 ? OD1 ASP 397 A 1 +ATOM 3003 O OD2 ASP 397 . . A 1 21.844 59.477 65.595 1 10.63 ? OD2 ASP 397 A 1 +ATOM 3004 N N HIS 398 . . A 1 16.974 57.304 65.016 1 5.99 ? N HIS 398 A 1 +ATOM 3005 C CA HIS 398 . . A 1 16.16 56.141 64.764 1 8.08 ? CA HIS 398 A 1 +ATOM 3006 C C HIS 398 . . A 1 14.946 56.444 63.901 1 12.21 ? C HIS 398 A 1 +ATOM 3007 O O HIS 398 . . A 1 14.656 55.722 62.959 1 17.17 ? O HIS 398 A 1 +ATOM 3008 C CB HIS 398 . . A 1 15.656 55.541 66.098 1 5.36 ? CB HIS 398 A 1 +ATOM 3009 C CG HIS 398 . . A 1 14.66 54.405 65.892 1 3.31 ? CG HIS 398 A 1 +ATOM 3010 N ND1 HIS 398 . . A 1 14.967 53.237 65.314 1 2 ? ND1 HIS 398 A 1 +ATOM 3011 C CD2 HIS 398 . . A 1 13.281 54.365 66.23 1 5.16 ? CD2 HIS 398 A 1 +ATOM 3012 C CE1 HIS 398 . . A 1 13.84 52.506 65.297 1 2.44 ? CE1 HIS 398 A 1 +ATOM 3013 N NE2 HIS 398 . . A 1 12.802 53.16 65.843 1 2 ? NE2 HIS 398 A 1 +ATOM 3014 N N ASN 399 . . A 1 14.251 57.533 64.234 1 11.6 ? N ASN 399 A 1 +ATOM 3015 C CA ASN 399 . . A 1 13 57.822 63.527 1 11.44 ? CA ASN 399 A 1 +ATOM 3016 C C ASN 399 . . A 1 12.992 58.748 62.33 1 10.94 ? C ASN 399 A 1 +ATOM 3017 O O ASN 399 . . A 1 11.989 58.763 61.629 1 11.39 ? O ASN 399 A 1 +ATOM 3018 C CB ASN 399 . . A 1 11.987 58.485 64.48 1 13.59 ? CB ASN 399 A 1 +ATOM 3019 C CG ASN 399 . . A 1 11.643 57.649 65.659 1 12.03 ? CG ASN 399 A 1 +ATOM 3020 O OD1 ASN 399 . . A 1 10.74 56.841 65.605 1 7.86 ? OD1 ASN 399 A 1 +ATOM 3021 N ND2 ASN 399 . . A 1 12.376 57.852 66.74 1 16.18 ? ND2 ASN 399 A 1 +ATOM 3022 N N VAL 400 . . A 1 14.027 59.553 62.106 1 8.13 ? N VAL 400 A 1 +ATOM 3023 C CA VAL 400 . . A 1 13.945 60.448 60.962 1 6.64 ? CA VAL 400 A 1 +ATOM 3024 C C VAL 400 . . A 1 15.215 60.433 60.133 1 11.94 ? C VAL 400 A 1 +ATOM 3025 O O VAL 400 . . A 1 15.197 60.192 58.936 1 19.91 ? O VAL 400 A 1 +ATOM 3026 C CB VAL 400 . . A 1 13.629 61.87 61.447 1 2 ? CB VAL 400 A 1 +ATOM 3027 C CG1 VAL 400 . . A 1 13.447 62.823 60.272 1 9.1 ? CG1 VAL 400 A 1 +ATOM 3028 C CG2 VAL 400 . . A 1 12.362 61.916 62.321 1 2 ? CG2 VAL 400 A 1 +ATOM 3029 N N ILE 401 . . A 1 16.354 60.678 60.767 1 12.04 ? N ILE 401 A 1 +ATOM 3030 C CA ILE 401 . . A 1 17.569 60.715 59.961 1 10.1 ? CA ILE 401 A 1 +ATOM 3031 C C ILE 401 . . A 1 17.938 59.398 59.349 1 11.78 ? C ILE 401 A 1 +ATOM 3032 O O ILE 401 . . A 1 18.093 59.291 58.145 1 18.25 ? O ILE 401 A 1 +ATOM 3033 C CB ILE 401 . . A 1 18.755 61.335 60.721 1 8.29 ? CB ILE 401 A 1 +ATOM 3034 C CG1 ILE 401 . . A 1 18.295 62.654 61.372 1 3.74 ? CG1 ILE 401 A 1 +ATOM 3035 C CG2 ILE 401 . . A 1 19.984 61.535 59.814 1 8.02 ? CG2 ILE 401 A 1 +ATOM 3036 C CD1 ILE 401 . . A 1 19.433 63.514 61.913 1 2 ? CD1 ILE 401 A 1 +ATOM 3037 N N CYS 402 . . A 1 18.088 58.365 60.152 1 13.62 ? N CYS 402 A 1 +ATOM 3038 C CA CYS 402 . . A 1 18.495 57.121 59.506 1 14.5 ? CA CYS 402 A 1 +ATOM 3039 C C CYS 402 . . A 1 17.572 56.533 58.45 1 13.22 ? C CYS 402 A 1 +ATOM 3040 O O CYS 402 . . A 1 18.124 56.12 57.438 1 19.78 ? O CYS 402 A 1 +ATOM 3041 C CB CYS 402 . . A 1 19.014 56.084 60.477 1 11.32 ? CB CYS 402 A 1 +ATOM 3042 S SG CYS 402 . . A 1 20.385 56.807 61.425 1 15.97 ? SG CYS 402 A 1 +ATOM 3043 N N PRO 403 . . A 1 16.235 56.464 58.6 1 8.93 ? N PRO 403 A 1 +ATOM 3044 C CA PRO 403 . . A 1 15.429 55.964 57.494 1 10.79 ? CA PRO 403 A 1 +ATOM 3045 C C PRO 403 . . A 1 15.525 56.854 56.245 1 12.36 ? C PRO 403 A 1 +ATOM 3046 O O PRO 403 . . A 1 15.529 56.351 55.119 1 14.53 ? O PRO 403 A 1 +ATOM 3047 C CB PRO 403 . . A 1 14.006 55.757 58.043 1 6.7 ? CB PRO 403 A 1 +ATOM 3048 C CG PRO 403 . . A 1 14.02 56.382 59.436 1 11.2 ? CG PRO 403 A 1 +ATOM 3049 C CD PRO 403 . . A 1 15.491 56.629 59.826 1 10.36 ? CD PRO 403 A 1 +ATOM 3050 N N LEU 404 . . A 1 15.628 58.175 56.465 1 11.19 ? N LEU 404 A 1 +ATOM 3051 C CA LEU 404 . . A 1 15.735 59.087 55.32 1 9.91 ? CA LEU 404 A 1 +ATOM 3052 C C LEU 404 . . A 1 17.004 58.797 54.535 1 13.85 ? C LEU 404 A 1 +ATOM 3053 O O LEU 404 . . A 1 17.003 58.677 53.314 1 16.68 ? O LEU 404 A 1 +ATOM 3054 C CB LEU 404 . . A 1 15.669 60.553 55.77 1 5.07 ? CB LEU 404 A 1 +ATOM 3055 C CG LEU 404 . . A 1 15.739 61.585 54.627 1 2.5 ? CG LEU 404 A 1 +ATOM 3056 C CD1 LEU 404 . . A 1 14.649 62.656 54.746 1 2 ? CD1 LEU 404 A 1 +ATOM 3057 C CD2 LEU 404 . . A 1 17.12 62.247 54.544 1 6.97 ? CD2 LEU 404 A 1 +ATOM 3058 N N MET 405 . . A 1 18.117 58.637 55.263 1 12 ? N MET 405 A 1 +ATOM 3059 C CA MET 405 . . A 1 19.348 58.326 54.539 1 10.39 ? CA MET 405 A 1 +ATOM 3060 C C MET 405 . . A 1 19.229 57.001 53.802 1 10.1 ? C MET 405 A 1 +ATOM 3061 O O MET 405 . . A 1 19.838 56.745 52.774 1 12.42 ? O MET 405 A 1 +ATOM 3062 C CB MET 405 . . A 1 20.552 58.236 55.476 1 6.38 ? CB MET 405 A 1 +ATOM 3063 C CG MET 405 . . A 1 20.791 59.55 56.205 1 8.23 ? CG MET 405 A 1 +ATOM 3064 S SD MET 405 . . A 1 21.08 60.867 55.011 1 9.64 ? SD MET 405 A 1 +ATOM 3065 C CE MET 405 . . A 1 22.706 60.365 54.398 1 6.69 ? CE MET 405 A 1 +ATOM 3066 N N HIS 406 . . A 1 18.421 56.121 54.352 1 8.78 ? N HIS 406 A 1 +ATOM 3067 C CA HIS 406 . . A 1 18.273 54.847 53.674 1 14.38 ? CA HIS 406 A 1 +ATOM 3068 C C HIS 406 . . A 1 17.589 55.083 52.331 1 17.53 ? C HIS 406 A 1 +ATOM 3069 O O HIS 406 . . A 1 18.028 54.641 51.274 1 22.81 ? O HIS 406 A 1 +ATOM 3070 C CB HIS 406 . . A 1 17.449 53.885 54.554 1 14.21 ? CB HIS 406 A 1 +ATOM 3071 C CG HIS 406 . . A 1 17.406 52.506 53.951 1 11.97 ? CG HIS 406 A 1 +ATOM 3072 N ND1 HIS 406 . . A 1 18.492 51.722 53.819 1 8.45 ? ND1 HIS 406 A 1 +ATOM 3073 C CD2 HIS 406 . . A 1 16.284 51.813 53.44 1 10.64 ? CD2 HIS 406 A 1 +ATOM 3074 C CE1 HIS 406 . . A 1 18.058 50.585 53.25 1 10.91 ? CE1 HIS 406 A 1 +ATOM 3075 N NE2 HIS 406 . . A 1 16.734 50.62 53.012 1 7.82 ? NE2 HIS 406 A 1 +ATOM 3076 N N PHE 407 . . A 1 16.493 55.848 52.405 1 17.65 ? N PHE 407 A 1 +ATOM 3077 C CA PHE 407 . . A 1 15.696 56.164 51.206 1 14.69 ? CA PHE 407 A 1 +ATOM 3078 C C PHE 407 . . A 1 16.547 56.83 50.161 1 14.22 ? C PHE 407 A 1 +ATOM 3079 O O PHE 407 . . A 1 16.575 56.427 49.013 1 17.34 ? O PHE 407 A 1 +ATOM 3080 C CB PHE 407 . . A 1 14.542 57.078 51.605 1 12.33 ? CB PHE 407 A 1 +ATOM 3081 C CG PHE 407 . . A 1 13.625 57.489 50.499 1 3.35 ? CG PHE 407 A 1 +ATOM 3082 C CD1 PHE 407 . . A 1 12.684 56.579 50.008 1 5.65 ? CD1 PHE 407 A 1 +ATOM 3083 C CD2 PHE 407 . . A 1 13.668 58.801 50.002 1 6.05 ? CD2 PHE 407 A 1 +ATOM 3084 C CE1 PHE 407 . . A 1 11.771 56.991 49.026 1 8.33 ? CE1 PHE 407 A 1 +ATOM 3085 C CE2 PHE 407 . . A 1 12.757 59.209 49.016 1 9.1 ? CE2 PHE 407 A 1 +ATOM 3086 C CZ PHE 407 . . A 1 11.805 58.305 48.524 1 4.46 ? CZ PHE 407 A 1 +ATOM 3087 N N VAL 408 . . A 1 17.279 57.849 50.591 1 12.31 ? N VAL 408 A 1 +ATOM 3088 C CA VAL 408 . . A 1 18.151 58.552 49.671 1 9.26 ? CA VAL 408 A 1 +ATOM 3089 C C VAL 408 . . A 1 19.09 57.619 48.972 1 11.77 ? C VAL 408 A 1 +ATOM 3090 O O VAL 408 . . A 1 19.218 57.638 47.761 1 17.89 ? O VAL 408 A 1 +ATOM 3091 C CB VAL 408 . . A 1 18.942 59.613 50.439 1 5.68 ? CB VAL 408 A 1 +ATOM 3092 C CG1 VAL 408 . . A 1 20.075 60.236 49.642 1 4.05 ? CG1 VAL 408 A 1 +ATOM 3093 C CG2 VAL 408 . . A 1 17.982 60.718 50.857 1 15.34 ? CG2 VAL 408 A 1 +ATOM 3094 N N ASN 409 . . A 1 19.735 56.759 49.738 1 11.92 ? N ASN 409 A 1 +ATOM 3095 C CA ASN 409 . . A 1 20.667 55.896 49.049 1 11.95 ? CA ASN 409 A 1 +ATOM 3096 C C ASN 409 . . A 1 20.016 54.975 48.085 1 13.78 ? C ASN 409 A 1 +ATOM 3097 O O ASN 409 . . A 1 20.558 54.718 47.022 1 17.57 ? O ASN 409 A 1 +ATOM 3098 C CB ASN 409 . . A 1 21.513 55.093 50.01 1 17.99 ? CB ASN 409 A 1 +ATOM 3099 C CG ASN 409 . . A 1 22.596 56.014 50.523 1 27.06 ? CG ASN 409 A 1 +ATOM 3100 O OD1 ASN 409 . . A 1 23.575 56.287 49.842 1 31.47 ? OD1 ASN 409 A 1 +ATOM 3101 N ND2 ASN 409 . . A 1 22.413 56.505 51.746 1 30.06 ? ND2 ASN 409 A 1 +ATOM 3102 N N LYS 410 . . A 1 18.847 54.458 48.435 1 14.56 ? N LYS 410 A 1 +ATOM 3103 C CA LYS 410 . . A 1 18.255 53.555 47.45 1 17 ? CA LYS 410 A 1 +ATOM 3104 C C LYS 410 . . A 1 17.628 54.304 46.266 1 17.5 ? C LYS 410 A 1 +ATOM 3105 O O LYS 410 . . A 1 17.487 53.799 45.165 1 19.56 ? O LYS 410 A 1 +ATOM 3106 C CB LYS 410 . . A 1 17.248 52.611 48.122 1 20.71 ? CB LYS 410 A 1 +ATOM 3107 C CG LYS 410 . . A 1 17.908 51.718 49.185 1 20.55 ? CG LYS 410 A 1 +ATOM 3108 C CD LYS 410 . . A 1 17.452 50.251 49.115 1 26.51 ? CD LYS 410 A 1 +ATOM 3109 C CE LYS 410 . . A 1 18.611 49.238 49.018 1 29.06 ? CE LYS 410 A 1 +ATOM 3110 N NZ LYS 410 . . A 1 18.277 48.013 49.749 1 39.74 ? NZ LYS 410 A 1 +ATOM 3111 N N TYR 411 . . A 1 17.242 55.543 46.489 1 16.18 ? N TYR 411 A 1 +ATOM 3112 C CA TYR 411 . . A 1 16.627 56.259 45.386 1 18.03 ? CA TYR 411 A 1 +ATOM 3113 C C TYR 411 . . A 1 17.659 56.751 44.412 1 22.49 ? C TYR 411 A 1 +ATOM 3114 O O TYR 411 . . A 1 17.502 56.663 43.201 1 22.41 ? O TYR 411 A 1 +ATOM 3115 C CB TYR 411 . . A 1 15.854 57.471 45.904 1 11.23 ? CB TYR 411 A 1 +ATOM 3116 C CG TYR 411 . . A 1 14.999 58.125 44.836 1 5.6 ? CG TYR 411 A 1 +ATOM 3117 C CD1 TYR 411 . . A 1 13.747 57.578 44.508 1 2.08 ? CD1 TYR 411 A 1 +ATOM 3118 C CD2 TYR 411 . . A 1 15.428 59.307 44.207 1 4.34 ? CD2 TYR 411 A 1 +ATOM 3119 C CE1 TYR 411 . . A 1 12.913 58.22 43.586 1 4.24 ? CE1 TYR 411 A 1 +ATOM 3120 C CE2 TYR 411 . . A 1 14.598 59.95 43.287 1 2 ? CE2 TYR 411 A 1 +ATOM 3121 C CZ TYR 411 . . A 1 13.344 59.409 42.977 1 8.61 ? CZ TYR 411 A 1 +ATOM 3122 O OH TYR 411 . . A 1 12.557 60.074 42.057 1 16.66 ? OH TYR 411 A 1 +ATOM 3123 N N THR 412 . . A 1 18.74 57.293 44.956 1 24.51 ? N THR 412 A 1 +ATOM 3124 C CA THR 412 . . A 1 19.797 57.83 44.105 1 25.23 ? CA THR 412 A 1 +ATOM 3125 C C THR 412 . . A 1 20.306 56.858 43.091 1 22.66 ? C THR 412 A 1 +ATOM 3126 O O THR 412 . . A 1 20.812 57.27 42.056 1 23.24 ? O THR 412 A 1 +ATOM 3127 C CB THR 412 . . A 1 20.895 58.461 44.978 1 24.6 ? CB THR 412 A 1 +ATOM 3128 O OG1 THR 412 . . A 1 20.281 59.445 45.809 1 26.37 ? OG1 THR 412 A 1 +ATOM 3129 C CG2 THR 412 . . A 1 21.998 59.21 44.205 1 26.6 ? CG2 THR 412 A 1 +ATOM 3130 N N LYS 413 . . A 1 20.163 55.564 43.354 1 23.19 ? N LYS 413 A 1 +ATOM 3131 C CA LYS 413 . . A 1 20.682 54.713 42.345 1 25.73 ? CA LYS 413 A 1 +ATOM 3132 C C LYS 413 . . A 1 19.917 54.864 41.029 1 26.73 ? C LYS 413 A 1 +ATOM 3133 O O LYS 413 . . A 1 20.461 54.651 40.014 1 28.6 ? O LYS 413 A 1 +ATOM 3134 C CB LYS 413 . . A 1 20.665 53.23 42.754 1 24.16 ? CB LYS 413 A 1 +ATOM 3135 C CG LYS 413 . . A 1 21.693 52.927 43.883 1 27.52 ? CG LYS 413 A 1 +ATOM 3136 C CD LYS 413 . . A 1 21.33 51.727 44.779 1 36.17 ? CD LYS 413 A 1 +ATOM 3137 N N PHE 414 . . A 1 18.623 55.18 41.183 1 28.42 ? N PHE 414 A 1 +ATOM 3138 C CA PHE 414 . . A 1 17.814 55.245 39.972 1 29.89 ? CA PHE 414 A 1 +ATOM 3139 C C PHE 414 . . A 1 17.061 56.556 39.706 1 28.33 ? C PHE 414 A 1 +ATOM 3140 O O PHE 414 . . A 1 16.297 56.674 38.736 1 31.27 ? O PHE 414 A 1 +ATOM 3141 C CB PHE 414 . . A 1 16.74 54.146 40.065 1 32.75 ? CB PHE 414 A 1 +ATOM 3142 C CG PHE 414 . . A 1 17.272 52.746 40.301 1 37.5 ? CG PHE 414 A 1 +ATOM 3143 C CD1 PHE 414 . . A 1 18.572 52.276 40.169 1 44.88 ? CD1 PHE 414 A 1 +ATOM 3144 C CD2 PHE 414 . . A 1 16.344 51.858 40.722 1 43.49 ? CD2 PHE 414 A 1 +ATOM 3145 C CE1 PHE 414 . . A 1 18.984 51.007 40.512 1 50.06 ? CE1 PHE 414 A 1 +ATOM 3146 C CE2 PHE 414 . . A 1 16.694 50.529 41.049 1 45.95 ? CE2 PHE 414 A 1 +ATOM 3147 C CZ PHE 414 . . A 1 18.03 50.125 40.954 1 46.66 ? CZ PHE 414 A 1 +ATOM 3148 N N GLY 415 . . A 1 17.218 57.553 40.575 1 26.12 ? N GLY 415 A 1 +ATOM 3149 C CA GLY 415 . . A 1 16.485 58.772 40.358 1 25.57 ? CA GLY 415 A 1 +ATOM 3150 C C GLY 415 . . A 1 17.222 59.643 39.391 1 25.05 ? C GLY 415 A 1 +ATOM 3151 O O GLY 415 . . A 1 18.299 59.318 38.929 1 23.29 ? O GLY 415 A 1 +ATOM 3152 N N ASN 416 . . A 1 16.658 60.812 39.103 1 28.85 ? N ASN 416 A 1 +ATOM 3153 C CA ASN 416 . . A 1 17.307 61.714 38.161 1 34.03 ? CA ASN 416 A 1 +ATOM 3154 C C ASN 416 . . A 1 17.867 62.946 38.848 1 33.9 ? C ASN 416 A 1 +ATOM 3155 O O ASN 416 . . A 1 17.753 64.054 38.351 1 35.24 ? O ASN 416 A 1 +ATOM 3156 C CB ASN 416 . . A 1 16.331 62.053 36.999 1 39.49 ? CB ASN 416 A 1 +ATOM 3157 C CG ASN 416 . . A 1 16.946 62.694 35.738 1 42.24 ? CG ASN 416 A 1 +ATOM 3158 O OD1 ASN 416 . . A 1 16.387 63.603 35.139 1 46.71 ? OD1 ASN 416 A 1 +ATOM 3159 N ND2 ASN 416 . . A 1 18.1 62.178 35.308 1 38.36 ? ND2 ASN 416 A 1 +ATOM 3160 N N GLY 417 . . A 1 18.467 62.755 40.028 1 37.53 ? N GLY 417 A 1 +ATOM 3161 C CA GLY 417 . . A 1 19.061 63.874 40.788 1 35.91 ? CA GLY 417 A 1 +ATOM 3162 C C GLY 417 . . A 1 18.572 63.903 42.225 1 30.56 ? C GLY 417 A 1 +ATOM 3163 O O GLY 417 . . A 1 17.407 63.631 42.488 1 29.49 ? O GLY 417 A 1 +ATOM 3164 N N THR 418 . . A 1 19.465 64.226 43.162 1 27.58 ? N THR 418 A 1 +ATOM 3165 C CA THR 418 . . A 1 19.038 64.247 44.557 1 27.31 ? CA THR 418 A 1 +ATOM 3166 C C THR 418 . . A 1 19.764 65.383 45.256 1 25.21 ? C THR 418 A 1 +ATOM 3167 O O THR 418 . . A 1 20.978 65.478 45.111 1 26.31 ? O THR 418 A 1 +ATOM 3168 C CB THR 418 . . A 1 19.424 62.879 45.187 1 23.65 ? CB THR 418 A 1 +ATOM 3169 O OG1 THR 418 . . A 1 18.789 61.811 44.47 1 29.4 ? OG1 THR 418 A 1 +ATOM 3170 C CG2 THR 418 . . A 1 19.017 62.701 46.648 1 21.43 ? CG2 THR 418 A 1 +ATOM 3171 N N TYR 419 . . A 1 19.03 66.227 45.997 1 22.29 ? N TYR 419 A 1 +ATOM 3172 C CA TYR 419 . . A 1 19.643 67.346 46.738 1 25.88 ? CA TYR 419 A 1 +ATOM 3173 C C TYR 419 . . A 1 19.254 67.124 48.199 1 25.8 ? C TYR 419 A 1 +ATOM 3174 O O TYR 419 . . A 1 18.079 66.883 48.465 1 27.82 ? O TYR 419 A 1 +ATOM 3175 C CB TYR 419 . . A 1 19.164 68.702 46.184 1 30.13 ? CB TYR 419 A 1 +ATOM 3176 C CG TYR 419 . . A 1 19.512 68.841 44.711 1 29.73 ? CG TYR 419 A 1 +ATOM 3177 C CD1 TYR 419 . . A 1 18.6 68.368 43.751 1 31.8 ? CD1 TYR 419 A 1 +ATOM 3178 C CD2 TYR 419 . . A 1 20.734 69.407 44.287 1 26.44 ? CD2 TYR 419 A 1 +ATOM 3179 C CE1 TYR 419 . . A 1 18.899 68.453 42.387 1 32.84 ? CE1 TYR 419 A 1 +ATOM 3180 C CE2 TYR 419 . . A 1 21.036 69.489 42.917 1 27.55 ? CE2 TYR 419 A 1 +ATOM 3181 C CZ TYR 419 . . A 1 20.114 69.013 41.961 1 31.05 ? CZ TYR 419 A 1 +ATOM 3182 O OH TYR 419 . . A 1 20.364 69.09 40.602 1 31.88 ? OH TYR 419 A 1 +ATOM 3183 N N LEU 420 . . A 1 20.228 67.176 49.121 1 19.41 ? N LEU 420 A 1 +ATOM 3184 C CA LEU 420 . . A 1 20.014 66.915 50.54 1 17.98 ? CA LEU 420 A 1 +ATOM 3185 C C LEU 420 . . A 1 20.492 68.074 51.392 1 19.04 ? C LEU 420 A 1 +ATOM 3186 O O LEU 420 . . A 1 21.58 68.595 51.158 1 16.48 ? O LEU 420 A 1 +ATOM 3187 C CB LEU 420 . . A 1 20.834 65.657 50.884 1 13.19 ? CB LEU 420 A 1 +ATOM 3188 C CG LEU 420 . . A 1 20.683 65.139 52.324 1 13.97 ? CG LEU 420 A 1 +ATOM 3189 C CD1 LEU 420 . . A 1 19.221 64.883 52.694 1 13.11 ? CD1 LEU 420 A 1 +ATOM 3190 C CD2 LEU 420 . . A 1 21.501 63.86 52.553 1 9.68 ? CD2 LEU 420 A 1 +ATOM 3191 N N TYR 421 . . A 1 19.674 68.47 52.388 1 20 ? N TYR 421 A 1 +ATOM 3192 C CA TYR 421 . . A 1 20.041 69.576 53.3 1 21.21 ? CA TYR 421 A 1 +ATOM 3193 C C TYR 421 . . A 1 19.942 69.123 54.759 1 22.16 ? C TYR 421 A 1 +ATOM 3194 O O TYR 421 . . A 1 19.268 68.147 55.083 1 27.68 ? O TYR 421 A 1 +ATOM 3195 C CB TYR 421 . . A 1 19.16 70.825 53.113 1 18.16 ? CB TYR 421 A 1 +ATOM 3196 C CG TYR 421 . . A 1 17.717 70.594 53.501 1 20.61 ? CG TYR 421 A 1 +ATOM 3197 C CD1 TYR 421 . . A 1 16.78 70.057 52.595 1 18.3 ? CD1 TYR 421 A 1 +ATOM 3198 C CD2 TYR 421 . . A 1 17.312 70.898 54.806 1 17.41 ? CD2 TYR 421 A 1 +ATOM 3199 C CE1 TYR 421 . . A 1 15.451 69.838 53.002 1 18.02 ? CE1 TYR 421 A 1 +ATOM 3200 C CE2 TYR 421 . . A 1 15.996 70.665 55.207 1 18.17 ? CE2 TYR 421 A 1 +ATOM 3201 C CZ TYR 421 . . A 1 15.057 70.145 54.313 1 17.49 ? CZ TYR 421 A 1 +ATOM 3202 O OH TYR 421 . . A 1 13.749 69.954 54.734 1 23.43 ? OH TYR 421 A 1 +ATOM 3203 N N PHE 422 . . A 1 20.608 69.887 55.631 1 19.35 ? N PHE 422 A 1 +ATOM 3204 C CA PHE 422 . . A 1 20.637 69.652 57.073 1 16.89 ? CA PHE 422 A 1 +ATOM 3205 C C PHE 422 . . A 1 20.322 71.005 57.627 1 15.31 ? C PHE 422 A 1 +ATOM 3206 O O PHE 422 . . A 1 21.156 71.895 57.543 1 17.01 ? O PHE 422 A 1 +ATOM 3207 C CB PHE 422 . . A 1 22.054 69.215 57.459 1 17.68 ? CB PHE 422 A 1 +ATOM 3208 C CG PHE 422 . . A 1 22.178 68.85 58.909 1 18.34 ? CG PHE 422 A 1 +ATOM 3209 C CD1 PHE 422 . . A 1 21.524 67.705 59.394 1 17.93 ? CD1 PHE 422 A 1 +ATOM 3210 C CD2 PHE 422 . . A 1 22.957 69.638 59.779 1 20.27 ? CD2 PHE 422 A 1 +ATOM 3211 C CE1 PHE 422 . . A 1 21.65 67.347 60.742 1 16.41 ? CE1 PHE 422 A 1 +ATOM 3212 C CE2 PHE 422 . . A 1 23.087 69.277 61.123 1 16.33 ? CE2 PHE 422 A 1 +ATOM 3213 C CZ PHE 422 . . A 1 22.431 68.132 61.601 1 17.51 ? CZ PHE 422 A 1 +ATOM 3214 N N PHE 423 . . A 1 19.102 71.191 58.111 1 14.66 ? N PHE 423 A 1 +ATOM 3215 C CA PHE 423 . . A 1 18.694 72.484 58.631 1 16.94 ? CA PHE 423 A 1 +ATOM 3216 C C PHE 423 . . A 1 19.04 72.523 60.103 1 20.96 ? C PHE 423 A 1 +ATOM 3217 O O PHE 423 . . A 1 18.555 71.738 60.923 1 26.49 ? O PHE 423 A 1 +ATOM 3218 C CB PHE 423 . . A 1 17.2 72.684 58.39 1 12.96 ? CB PHE 423 A 1 +ATOM 3219 C CG PHE 423 . . A 1 16.724 74.04 58.834 1 12.99 ? CG PHE 423 A 1 +ATOM 3220 C CD1 PHE 423 . . A 1 16.886 75.165 58.004 1 14.02 ? CD1 PHE 423 A 1 +ATOM 3221 C CD2 PHE 423 . . A 1 16.1 74.192 60.08 1 17.13 ? CD2 PHE 423 A 1 +ATOM 3222 C CE1 PHE 423 . . A 1 16.416 76.428 58.401 1 11.33 ? CE1 PHE 423 A 1 +ATOM 3223 C CE2 PHE 423 . . A 1 15.623 75.456 60.481 1 20.89 ? CE2 PHE 423 A 1 +ATOM 3224 C CZ PHE 423 . . A 1 15.778 76.573 59.637 1 15.84 ? CZ PHE 423 A 1 +ATOM 3225 N N ASN 424 . . A 1 19.894 73.481 60.441 1 18.24 ? N ASN 424 A 1 +ATOM 3226 C CA ASN 424 . . A 1 20.337 73.577 61.812 1 14.83 ? CA ASN 424 A 1 +ATOM 3227 C C ASN 424 . . A 1 20.403 74.99 62.302 1 12.86 ? C ASN 424 A 1 +ATOM 3228 O O ASN 424 . . A 1 21.415 75.403 62.828 1 16.41 ? O ASN 424 A 1 +ATOM 3229 C CB ASN 424 . . A 1 21.694 72.892 61.978 1 9.86 ? CB ASN 424 A 1 +ATOM 3230 C CG ASN 424 . . A 1 22.744 73.517 61.102 1 14.25 ? CG ASN 424 A 1 +ATOM 3231 O OD1 ASN 424 . . A 1 22.489 74.376 60.268 1 19.01 ? OD1 ASN 424 A 1 +ATOM 3232 N ND2 ASN 424 . . A 1 23.976 73.051 61.272 1 17.43 ? ND2 ASN 424 A 1 +ATOM 3233 N N HIS 425 . . A 1 19.324 75.737 62.152 1 14.01 ? N HIS 425 A 1 +ATOM 3234 C CA HIS 425 . . A 1 19.291 77.111 62.619 1 14.7 ? CA HIS 425 A 1 +ATOM 3235 C C HIS 425 . . A 1 18.127 77.227 63.581 1 20.28 ? C HIS 425 A 1 +ATOM 3236 O O HIS 425 . . A 1 17.025 76.743 63.342 1 22.87 ? O HIS 425 A 1 +ATOM 3237 C CB HIS 425 . . A 1 19.069 78.038 61.424 1 13.69 ? CB HIS 425 A 1 +ATOM 3238 C CG HIS 425 . . A 1 18.758 79.457 61.849 1 16.2 ? CG HIS 425 A 1 +ATOM 3239 N ND1 HIS 425 . . A 1 19.673 80.364 62.264 1 14.43 ? ND1 HIS 425 A 1 +ATOM 3240 C CD2 HIS 425 . . A 1 17.483 80.067 61.888 1 16.15 ? CD2 HIS 425 A 1 +ATOM 3241 C CE1 HIS 425 . . A 1 18.988 81.491 62.54 1 13.89 ? CE1 HIS 425 A 1 +ATOM 3242 N NE2 HIS 425 . . A 1 17.667 81.335 62.316 1 13.71 ? NE2 HIS 425 A 1 +ATOM 3243 N N ARG 426 . . A 1 18.386 77.897 64.696 1 24.28 ? N ARG 426 A 1 +ATOM 3244 C CA ARG 426 . . A 1 17.337 78.083 65.683 1 27.35 ? CA ARG 426 A 1 +ATOM 3245 C C ARG 426 . . A 1 16.832 79.506 65.509 1 27.39 ? C ARG 426 A 1 +ATOM 3246 O O ARG 426 . . A 1 17.588 80.471 65.63 1 26.12 ? O ARG 426 A 1 +ATOM 3247 C CB ARG 426 . . A 1 17.902 77.842 67.106 1 30.12 ? CB ARG 426 A 1 +ATOM 3248 C CG ARG 426 . . A 1 16.81 77.838 68.2 1 36.19 ? CG ARG 426 A 1 +ATOM 3249 C CD ARG 426 . . A 1 17.26 77.301 69.568 1 36.3 ? CD ARG 426 A 1 +ATOM 3250 N NE ARG 426 . . A 1 16.233 77.525 70.574 1 39.87 ? NE ARG 426 A 1 +ATOM 3251 C CZ ARG 426 . . A 1 16.103 78.735 71.15 1 44.86 ? CZ ARG 426 A 1 +ATOM 3252 N NH1 ARG 426 . . A 1 16.896 79.766 70.825 1 45.41 ? NH1 ARG 426 A 1 +ATOM 3253 N NH2 ARG 426 . . A 1 15.158 78.908 72.068 1 46.68 ? NH2 ARG 426 A 1 +ATOM 3254 N N ALA 427 . . A 1 15.526 79.628 65.219 1 25.42 ? N ALA 427 A 1 +ATOM 3255 C CA ALA 427 . . A 1 15.003 80.979 65.054 1 24.06 ? CA ALA 427 A 1 +ATOM 3256 C C ALA 427 . . A 1 15.285 81.755 66.302 1 24.95 ? C ALA 427 A 1 +ATOM 3257 O O ALA 427 . . A 1 15.147 81.236 67.399 1 23.58 ? O ALA 427 A 1 +ATOM 3258 C CB ALA 427 . . A 1 13.487 81.02 64.833 1 21.86 ? CB ALA 427 A 1 +ATOM 3259 N N SER 428 . . A 1 15.636 83.023 66.1 1 27.92 ? N SER 428 A 1 +ATOM 3260 C CA SER 428 . . A 1 15.952 83.883 67.235 1 27.44 ? CA SER 428 A 1 +ATOM 3261 C C SER 428 . . A 1 14.768 84.113 68.163 1 27.61 ? C SER 428 A 1 +ATOM 3262 O O SER 428 . . A 1 14.926 84.401 69.339 1 33.83 ? O SER 428 A 1 +ATOM 3263 C CB SER 428 . . A 1 16.575 85.213 66.778 1 25.08 ? CB SER 428 A 1 +ATOM 3264 O OG SER 428 . . A 1 15.802 85.842 65.75 1 27.48 ? OG SER 428 A 1 +ATOM 3265 N N ASN 429 . . A 1 13.572 83.993 67.608 1 25.58 ? N ASN 429 A 1 +ATOM 3266 C CA ASN 429 . . A 1 12.36 84.182 68.382 1 26.14 ? CA ASN 429 A 1 +ATOM 3267 C C ASN 429 . . A 1 11.719 82.855 68.81 1 29.45 ? C ASN 429 A 1 +ATOM 3268 O O ASN 429 . . A 1 10.538 82.806 69.149 1 31.59 ? O ASN 429 A 1 +ATOM 3269 C CB ASN 429 . . A 1 11.36 85.021 67.566 1 27.84 ? CB ASN 429 A 1 +ATOM 3270 C CG ASN 429 . . A 1 11.162 84.534 66.142 1 30.89 ? CG ASN 429 A 1 +ATOM 3271 O OD1 ASN 429 . . A 1 11.689 83.507 65.72 1 28.88 ? OD1 ASN 429 A 1 +ATOM 3272 N ND2 ASN 429 . . A 1 10.414 85.321 65.38 1 31.96 ? ND2 ASN 429 A 1 +ATOM 3273 N N LEU 430 . . A 1 12.494 81.755 68.801 1 27.22 ? N LEU 430 A 1 +ATOM 3274 C CA LEU 430 . . A 1 11.872 80.491 69.183 1 24.25 ? CA LEU 430 A 1 +ATOM 3275 C C LEU 430 . . A 1 11.33 80.608 70.604 1 25.62 ? C LEU 430 A 1 +ATOM 3276 O O LEU 430 . . A 1 12.05 81.102 71.463 1 28.75 ? O LEU 430 A 1 +ATOM 3277 C CB LEU 430 . . A 1 12.928 79.358 69.116 1 22.89 ? CB LEU 430 A 1 +ATOM 3278 C CG LEU 430 . . A 1 12.497 78.024 68.491 1 21.01 ? CG LEU 430 A 1 +ATOM 3279 C CD1 LEU 430 . . A 1 11.098 77.558 68.878 1 25.25 ? CD1 LEU 430 A 1 +ATOM 3280 C CD2 LEU 430 . . A 1 12.61 78.064 66.978 1 32.12 ? CD2 LEU 430 A 1 +ATOM 3281 N N VAL 431 . . A 1 10.083 80.155 70.846 1 24.53 ? N VAL 431 A 1 +ATOM 3282 C CA VAL 431 . . A 1 9.55 80.22 72.222 1 23.47 ? CA VAL 431 A 1 +ATOM 3283 C C VAL 431 . . A 1 9.752 78.924 73.018 1 20.42 ? C VAL 431 A 1 +ATOM 3284 O O VAL 431 . . A 1 9.338 78.79 74.157 1 22.54 ? O VAL 431 A 1 +ATOM 3285 C CB VAL 431 . . A 1 8.045 80.571 72.22 1 20.23 ? CB VAL 431 A 1 +ATOM 3286 C CG1 VAL 431 . . A 1 7.851 81.943 71.578 1 24.35 ? CG1 VAL 431 A 1 +ATOM 3287 C CG2 VAL 431 . . A 1 7.178 79.519 71.508 1 17.82 ? CG2 VAL 431 A 1 +ATOM 3288 N N TRP 432 . . A 1 10.322 77.925 72.377 1 16.34 ? N TRP 432 A 1 +ATOM 3289 C CA TRP 432 . . A 1 10.549 76.664 73.056 1 14.4 ? CA TRP 432 A 1 +ATOM 3290 C C TRP 432 . . A 1 11.928 76.825 73.709 1 13.99 ? C TRP 432 A 1 +ATOM 3291 O O TRP 432 . . A 1 12.698 77.677 73.29 1 13.34 ? O TRP 432 A 1 +ATOM 3292 C CB TRP 432 . . A 1 10.491 75.491 72.05 1 11.71 ? CB TRP 432 A 1 +ATOM 3293 C CG TRP 432 . . A 1 9.087 75.215 71.549 1 13.78 ? CG TRP 432 A 1 +ATOM 3294 C CD1 TRP 432 . . A 1 8.494 75.696 70.352 1 14.89 ? CD1 TRP 432 A 1 +ATOM 3295 C CD2 TRP 432 . . A 1 8.113 74.417 72.184 1 15.44 ? CD2 TRP 432 A 1 +ATOM 3296 N NE1 TRP 432 . . A 1 7.217 75.23 70.222 1 13.83 ? NE1 TRP 432 A 1 +ATOM 3297 C CE2 TRP 432 . . A 1 6.919 74.434 71.305 1 16.22 ? CE2 TRP 432 A 1 +ATOM 3298 C CE3 TRP 432 . . A 1 8.058 73.711 73.388 1 16.05 ? CE3 TRP 432 A 1 +ATOM 3299 C CZ2 TRP 432 . . A 1 5.771 73.727 71.707 1 14.52 ? CZ2 TRP 432 A 1 +ATOM 3300 C CZ3 TRP 432 . . A 1 6.884 73.027 73.752 1 15.01 ? CZ3 TRP 432 A 1 +ATOM 3301 C CH2 TRP 432 . . A 1 5.757 73.028 72.921 1 12.98 ? CH2 TRP 432 A 1 +ATOM 3302 N N PRO 433 . . A 1 12.245 76.018 74.743 1 12.67 ? N PRO 433 A 1 +ATOM 3303 C CA PRO 433 . . A 1 13.523 76.153 75.404 1 9.19 ? CA PRO 433 A 1 +ATOM 3304 C C PRO 433 . . A 1 14.678 75.802 74.534 1 12.11 ? C PRO 433 A 1 +ATOM 3305 O O PRO 433 . . A 1 14.623 74.982 73.635 1 21.23 ? O PRO 433 A 1 +ATOM 3306 C CB PRO 433 . . A 1 13.459 75.154 76.556 1 8.32 ? CB PRO 433 A 1 +ATOM 3307 C CG PRO 433 . . A 1 12.309 74.202 76.229 1 4.9 ? CG PRO 433 A 1 +ATOM 3308 C CD PRO 433 . . A 1 11.37 75.011 75.342 1 9.63 ? CD PRO 433 A 1 +ATOM 3309 N N GLU 434 . . A 1 15.797 76.398 74.91 1 15.38 ? N GLU 434 A 1 +ATOM 3310 C CA GLU 434 . . A 1 17.052 76.209 74.207 1 14.21 ? CA GLU 434 A 1 +ATOM 3311 C C GLU 434 . . A 1 17.471 74.746 74.132 1 13.83 ? C GLU 434 A 1 +ATOM 3312 O O GLU 434 . . A 1 18.152 74.354 73.203 1 17.17 ? O GLU 434 A 1 +ATOM 3313 C CB GLU 434 . . A 1 18.131 77.082 74.901 1 12.25 ? CB GLU 434 A 1 +ATOM 3314 C CG GLU 434 . . A 1 19.471 77.25 74.154 1 20.68 ? CG GLU 434 A 1 +ATOM 3315 N N TRP 435 . . A 1 17.062 73.93 75.109 1 13.6 ? N TRP 435 A 1 +ATOM 3316 C CA TRP 435 . . A 1 17.525 72.544 75.044 1 13.74 ? CA TRP 435 A 1 +ATOM 3317 C C TRP 435 . . A 1 16.939 71.785 73.877 1 16.4 ? C TRP 435 A 1 +ATOM 3318 O O TRP 435 . . A 1 17.517 70.819 73.4 1 23.41 ? O TRP 435 A 1 +ATOM 3319 C CB TRP 435 . . A 1 17.391 71.777 76.402 1 13.33 ? CB TRP 435 A 1 +ATOM 3320 C CG TRP 435 . . A 1 15.962 71.442 76.812 1 7.61 ? CG TRP 435 A 1 +ATOM 3321 C CD1 TRP 435 . . A 1 15.117 72.204 77.65 1 5.44 ? CD1 TRP 435 A 1 +ATOM 3322 C CD2 TRP 435 . . A 1 15.215 70.325 76.407 1 5.75 ? CD2 TRP 435 A 1 +ATOM 3323 N NE1 TRP 435 . . A 1 13.895 71.623 77.769 1 2 ? NE1 TRP 435 A 1 +ATOM 3324 C CE2 TRP 435 . . A 1 13.876 70.476 77.028 1 4 ? CE2 TRP 435 A 1 +ATOM 3325 C CE3 TRP 435 . . A 1 15.492 69.206 75.613 1 5.4 ? CE3 TRP 435 A 1 +ATOM 3326 C CZ2 TRP 435 . . A 1 12.889 69.511 76.783 1 5.82 ? CZ2 TRP 435 A 1 +ATOM 3327 C CZ3 TRP 435 . . A 1 14.484 68.25 75.403 1 9.91 ? CZ3 TRP 435 A 1 +ATOM 3328 C CH2 TRP 435 . . A 1 13.197 68.405 75.967 1 8.73 ? CH2 TRP 435 A 1 +ATOM 3329 N N MET 436 . . A 1 15.758 72.216 73.436 1 16.03 ? N MET 436 A 1 +ATOM 3330 C CA MET 436 . . A 1 15.126 71.534 72.318 1 17.89 ? CA MET 436 A 1 +ATOM 3331 C C MET 436 . . A 1 15.859 71.83 70.984 1 20.1 ? C MET 436 A 1 +ATOM 3332 O O MET 436 . . A 1 15.715 71.137 69.985 1 20.8 ? O MET 436 A 1 +ATOM 3333 C CB MET 436 . . A 1 13.632 71.873 72.286 1 14.73 ? CB MET 436 A 1 +ATOM 3334 C CG MET 436 . . A 1 12.913 71.395 73.543 1 10.31 ? CG MET 436 A 1 +ATOM 3335 S SD MET 436 . . A 1 11.19 71.974 73.524 1 13.56 ? SD MET 436 A 1 +ATOM 3336 C CE MET 436 . . A 1 10.487 70.82 72.309 1 13.12 ? CE MET 436 A 1 +ATOM 3337 N N GLY 437 . . A 1 16.66 72.895 70.964 1 20.64 ? N GLY 437 A 1 +ATOM 3338 C CA GLY 437 . . A 1 17.403 73.168 69.739 1 18.75 ? CA GLY 437 A 1 +ATOM 3339 C C GLY 437 . . A 1 16.552 73.492 68.521 1 17.03 ? C GLY 437 A 1 +ATOM 3340 O O GLY 437 . . A 1 15.594 74.256 68.593 1 18.08 ? O GLY 437 A 1 +ATOM 3341 N N VAL 438 . . A 1 16.977 72.905 67.382 1 12.62 ? N VAL 438 A 1 +ATOM 3342 C CA VAL 438 . . A 1 16.33 73.055 66.081 1 9.94 ? CA VAL 438 A 1 +ATOM 3343 C C VAL 438 . . A 1 15.27 71.965 66.028 1 6.84 ? C VAL 438 A 1 +ATOM 3344 O O VAL 438 . . A 1 15.538 70.83 65.653 1 2 ? O VAL 438 A 1 +ATOM 3345 C CB VAL 438 . . A 1 17.385 72.902 64.976 1 6.49 ? CB VAL 438 A 1 +ATOM 3346 C CG1 VAL 438 . . A 1 16.813 73.247 63.604 1 12.47 ? CG1 VAL 438 A 1 +ATOM 3347 C CG2 VAL 438 . . A 1 18.622 73.766 65.262 1 4.15 ? CG2 VAL 438 A 1 +ATOM 3348 N N ILE 439 . . A 1 14.062 72.371 66.379 1 8.21 ? N ILE 439 A 1 +ATOM 3349 C CA ILE 439 . . A 1 12.963 71.434 66.493 1 9.83 ? CA ILE 439 A 1 +ATOM 3350 C C ILE 439 . . A 1 12.315 70.981 65.199 1 12.68 ? C ILE 439 A 1 +ATOM 3351 O O ILE 439 . . A 1 12.24 71.645 64.166 1 17.5 ? O ILE 439 A 1 +ATOM 3352 C CB ILE 439 . . A 1 11.928 72.134 67.412 1 8.73 ? CB ILE 439 A 1 +ATOM 3353 C CG1 ILE 439 . . A 1 12.536 72.553 68.764 1 5.52 ? CG1 ILE 439 A 1 +ATOM 3354 C CG2 ILE 439 . . A 1 10.641 71.337 67.687 1 9.39 ? CG2 ILE 439 A 1 +ATOM 3355 C CD1 ILE 439 . . A 1 11.738 73.672 69.435 1 2 ? CD1 ILE 439 A 1 +ATOM 3356 N N HIS 440 . . A 1 11.787 69.767 65.315 1 10.68 ? N HIS 440 A 1 +ATOM 3357 C CA HIS 440 . . A 1 11.053 69.108 64.252 1 9.48 ? CA HIS 440 A 1 +ATOM 3358 C C HIS 440 . . A 1 9.911 70.051 63.934 1 9.31 ? C HIS 440 A 1 +ATOM 3359 O O HIS 440 . . A 1 9.208 70.462 64.829 1 8.12 ? O HIS 440 A 1 +ATOM 3360 C CB HIS 440 . . A 1 10.55 67.777 64.839 1 8.57 ? CB HIS 440 A 1 +ATOM 3361 C CG HIS 440 . . A 1 9.657 66.946 63.948 1 7.99 ? CG HIS 440 A 1 +ATOM 3362 N ND1 HIS 440 . . A 1 10.086 66.014 63.073 1 6.63 ? ND1 HIS 440 A 1 +ATOM 3363 C CD2 HIS 440 . . A 1 8.24 66.895 63.984 1 9.96 ? CD2 HIS 440 A 1 +ATOM 3364 C CE1 HIS 440 . . A 1 8.975 65.395 62.6 1 12.43 ? CE1 HIS 440 A 1 +ATOM 3365 N NE2 HIS 440 . . A 1 7.845 65.912 63.137 1 10.39 ? NE2 HIS 440 A 1 +ATOM 3366 N N GLY 441 . . A 1 9.782 70.443 62.665 1 12.04 ? N GLY 441 A 1 +ATOM 3367 C CA GLY 441 . . A 1 8.713 71.358 62.293 1 8.35 ? CA GLY 441 A 1 +ATOM 3368 C C GLY 441 . . A 1 9.18 72.772 62.174 1 8.92 ? C GLY 441 A 1 +ATOM 3369 O O GLY 441 . . A 1 8.565 73.583 61.507 1 9.77 ? O GLY 441 A 1 +ATOM 3370 N N TYR 442 . . A 1 10.356 73.065 62.706 1 8.66 ? N TYR 442 A 1 +ATOM 3371 C CA TYR 442 . . A 1 10.755 74.475 62.684 1 11.82 ? CA TYR 442 A 1 +ATOM 3372 C C TYR 442 . . A 1 11.364 75.119 61.445 1 13.54 ? C TYR 442 A 1 +ATOM 3373 O O TYR 442 . . A 1 11.672 76.305 61.457 1 20.09 ? O TYR 442 A 1 +ATOM 3374 C CB TYR 442 . . A 1 11.369 74.815 64.079 1 11.19 ? CB TYR 442 A 1 +ATOM 3375 C CG TYR 442 . . A 1 10.204 74.997 65.047 1 7.21 ? CG TYR 442 A 1 +ATOM 3376 C CD1 TYR 442 . . A 1 9.504 73.889 65.567 1 5.33 ? CD1 TYR 442 A 1 +ATOM 3377 C CD2 TYR 442 . . A 1 9.715 76.291 65.292 1 2 ? CD2 TYR 442 A 1 +ATOM 3378 C CE1 TYR 442 . . A 1 8.32 74.07 66.286 1 2 ? CE1 TYR 442 A 1 +ATOM 3379 C CE2 TYR 442 . . A 1 8.531 76.476 66.001 1 2 ? CE2 TYR 442 A 1 +ATOM 3380 C CZ TYR 442 . . A 1 7.836 75.369 66.49 1 4.13 ? CZ TYR 442 A 1 +ATOM 3381 O OH TYR 442 . . A 1 6.66 75.593 67.164 1 13.11 ? OH TYR 442 A 1 +ATOM 3382 N N GLU 443 . . A 1 11.519 74.358 60.342 1 15.74 ? N GLU 443 A 1 +ATOM 3383 C CA GLU 443 . . A 1 12.072 74.942 59.086 1 7.98 ? CA GLU 443 A 1 +ATOM 3384 C C GLU 443 . . A 1 10.944 75.473 58.23 1 5.61 ? C GLU 443 A 1 +ATOM 3385 O O GLU 443 . . A 1 11.091 76.316 57.364 1 7.19 ? O GLU 443 A 1 +ATOM 3386 C CB GLU 443 . . A 1 12.889 73.972 58.219 1 9.6 ? CB GLU 443 A 1 +ATOM 3387 C CG GLU 443 . . A 1 12.093 72.991 57.312 1 7.55 ? CG GLU 443 A 1 +ATOM 3388 C CD GLU 443 . . A 1 11.196 72.053 58.088 1 6.46 ? CD GLU 443 A 1 +ATOM 3389 O OE1 GLU 443 . . A 1 11.514 71.797 59.235 1 8.12 ? OE1 GLU 443 A 1 +ATOM 3390 O OE2 GLU 443 . . A 1 10.196 71.582 57.551 1 6.22 ? OE2 GLU 443 A 1 +ATOM 3391 N N ILE 444 . . A 1 9.757 74.944 58.494 1 3.67 ? N ILE 444 A 1 +ATOM 3392 C CA ILE 444 . . A 1 8.602 75.371 57.745 1 2.76 ? CA ILE 444 A 1 +ATOM 3393 C C ILE 444 . . A 1 8.391 76.89 57.829 1 6.05 ? C ILE 444 A 1 +ATOM 3394 O O ILE 444 . . A 1 7.849 77.504 56.938 1 9.34 ? O ILE 444 A 1 +ATOM 3395 C CB ILE 444 . . A 1 7.359 74.564 58.209 1 2 ? CB ILE 444 A 1 +ATOM 3396 C CG1 ILE 444 . . A 1 7.604 73.028 58.241 1 5.67 ? CG1 ILE 444 A 1 +ATOM 3397 C CG2 ILE 444 . . A 1 6.15 74.919 57.348 1 3.61 ? CG2 ILE 444 A 1 +ATOM 3398 C CD1 ILE 444 . . A 1 6.379 72.173 58.631 1 2 ? CD1 ILE 444 A 1 +ATOM 3399 N N GLU 445 . . A 1 8.84 77.54 58.906 1 16.65 ? N GLU 445 A 1 +ATOM 3400 C CA GLU 445 . . A 1 8.601 78.992 58.98 1 17.1 ? CA GLU 445 A 1 +ATOM 3401 C C GLU 445 . . A 1 9.356 79.694 57.924 1 14.25 ? C GLU 445 A 1 +ATOM 3402 O O GLU 445 . . A 1 8.937 80.729 57.438 1 8.96 ? O GLU 445 A 1 +ATOM 3403 C CB GLU 445 . . A 1 9.088 79.671 60.292 1 24.89 ? CB GLU 445 A 1 +ATOM 3404 C CG GLU 445 . . A 1 8.687 78.932 61.563 1 25.68 ? CG GLU 445 A 1 +ATOM 3405 C CD GLU 445 . . A 1 9.181 79.521 62.848 1 31.64 ? CD GLU 445 A 1 +ATOM 3406 O OE1 GLU 445 . . A 1 10.321 79.998 62.881 1 28.92 ? OE1 GLU 445 A 1 +ATOM 3407 O OE2 GLU 445 . . A 1 8.421 79.476 63.819 1 35.91 ? OE2 GLU 445 A 1 +ATOM 3408 N N PHE 446 . . A 1 10.512 79.084 57.639 1 14.43 ? N PHE 446 A 1 +ATOM 3409 C CA PHE 446 . . A 1 11.436 79.601 56.65 1 17.47 ? CA PHE 446 A 1 +ATOM 3410 C C PHE 446 . . A 1 10.935 79.364 55.231 1 17.92 ? C PHE 446 A 1 +ATOM 3411 O O PHE 446 . . A 1 10.854 80.285 54.429 1 17.24 ? O PHE 446 A 1 +ATOM 3412 C CB PHE 446 . . A 1 12.841 79.006 56.892 1 14.25 ? CB PHE 446 A 1 +ATOM 3413 C CG PHE 446 . . A 1 13.479 79.696 58.073 1 18.46 ? CG PHE 446 A 1 +ATOM 3414 C CD1 PHE 446 . . A 1 13.109 79.356 59.382 1 21.45 ? CD1 PHE 446 A 1 +ATOM 3415 C CD2 PHE 446 . . A 1 14.397 80.744 57.865 1 17.73 ? CD2 PHE 446 A 1 +ATOM 3416 C CE1 PHE 446 . . A 1 13.632 80.089 60.462 1 25.35 ? CE1 PHE 446 A 1 +ATOM 3417 C CE2 PHE 446 . . A 1 14.922 81.463 58.941 1 16.63 ? CE2 PHE 446 A 1 +ATOM 3418 C CZ PHE 446 . . A 1 14.533 81.146 60.246 1 17.92 ? CZ PHE 446 A 1 +ATOM 3419 N N VAL 447 . . A 1 10.587 78.103 54.953 1 15.23 ? N VAL 447 A 1 +ATOM 3420 C CA VAL 447 . . A 1 10.097 77.751 53.637 1 11.34 ? CA VAL 447 A 1 +ATOM 3421 C C VAL 447 . . A 1 8.867 78.578 53.236 1 13.43 ? C VAL 447 A 1 +ATOM 3422 O O VAL 447 . . A 1 8.675 78.844 52.058 1 18.88 ? O VAL 447 A 1 +ATOM 3423 C CB VAL 447 . . A 1 9.843 76.228 53.599 1 9.38 ? CB VAL 447 A 1 +ATOM 3424 C CG1 VAL 447 . . A 1 9.027 75.75 52.392 1 4.32 ? CG1 VAL 447 A 1 +ATOM 3425 C CG2 VAL 447 . . A 1 11.168 75.435 53.691 1 3.9 ? CG2 VAL 447 A 1 +ATOM 3426 N N PHE 448 . . A 1 8.042 78.981 54.207 1 4.53 ? N PHE 448 A 1 +ATOM 3427 C CA PHE 448 . . A 1 6.869 79.755 53.84 1 3.52 ? CA PHE 448 A 1 +ATOM 3428 C C PHE 448 . . A 1 7.071 81.254 53.952 1 7.21 ? C PHE 448 A 1 +ATOM 3429 O O PHE 448 . . A 1 6.141 82.041 53.829 1 10.21 ? O PHE 448 A 1 +ATOM 3430 C CB PHE 448 . . A 1 5.622 79.283 54.591 1 3.13 ? CB PHE 448 A 1 +ATOM 3431 C CG PHE 448 . . A 1 4.956 78.088 53.952 1 3.83 ? CG PHE 448 A 1 +ATOM 3432 C CD1 PHE 448 . . A 1 5.567 76.827 53.991 1 2.43 ? CD1 PHE 448 A 1 +ATOM 3433 C CD2 PHE 448 . . A 1 3.705 78.237 53.307 1 6.22 ? CD2 PHE 448 A 1 +ATOM 3434 C CE1 PHE 448 . . A 1 4.929 75.722 53.393 1 9.88 ? CE1 PHE 448 A 1 +ATOM 3435 C CE2 PHE 448 . . A 1 3.07 77.138 52.709 1 5.13 ? CE2 PHE 448 A 1 +ATOM 3436 C CZ PHE 448 . . A 1 3.685 75.876 52.751 1 8.76 ? CZ PHE 448 A 1 +ATOM 3437 N N GLY 449 . . A 1 8.302 81.669 54.212 1 12.35 ? N GLY 449 A 1 +ATOM 3438 C CA GLY 449 . . A 1 8.601 83.113 54.262 1 19.06 ? CA GLY 449 A 1 +ATOM 3439 C C GLY 449 . . A 1 8.035 83.979 55.378 1 22.16 ? C GLY 449 A 1 +ATOM 3440 O O GLY 449 . . A 1 7.885 85.192 55.224 1 23.38 ? O GLY 449 A 1 +ATOM 3441 N N LEU 450 . . A 1 7.735 83.363 56.538 1 23.86 ? N LEU 450 A 1 +ATOM 3442 C CA LEU 450 . . A 1 7.219 84.19 57.634 1 20.32 ? CA LEU 450 A 1 +ATOM 3443 C C LEU 450 . . A 1 8.256 85.211 58.121 1 17.7 ? C LEU 450 A 1 +ATOM 3444 O O LEU 450 . . A 1 7.883 86.31 58.488 1 16.68 ? O LEU 450 A 1 +ATOM 3445 C CB LEU 450 . . A 1 6.676 83.381 58.824 1 18.87 ? CB LEU 450 A 1 +ATOM 3446 C CG LEU 450 . . A 1 5.459 82.475 58.544 1 19.02 ? CG LEU 450 A 1 +ATOM 3447 C CD1 LEU 450 . . A 1 4.479 82.48 59.723 1 23.46 ? CD1 LEU 450 A 1 +ATOM 3448 C CD2 LEU 450 . . A 1 4.688 82.824 57.271 1 23.14 ? CD2 LEU 450 A 1 +ATOM 3449 N N PRO 451 . . A 1 9.564 84.906 58.111 1 16.06 ? N PRO 451 A 1 +ATOM 3450 C CA PRO 451 . . A 1 10.523 85.973 58.367 1 20.2 ? CA PRO 451 A 1 +ATOM 3451 C C PRO 451 . . A 1 10.389 87.265 57.568 1 25.32 ? C PRO 451 A 1 +ATOM 3452 O O PRO 451 . . A 1 10.988 88.278 57.919 1 30.73 ? O PRO 451 A 1 +ATOM 3453 C CB PRO 451 . . A 1 11.898 85.312 58.167 1 16.42 ? CB PRO 451 A 1 +ATOM 3454 C CG PRO 451 . . A 1 11.663 83.804 58.374 1 13.92 ? CG PRO 451 A 1 +ATOM 3455 C CD PRO 451 . . A 1 10.182 83.586 58.012 1 15.33 ? CD PRO 451 A 1 +ATOM 3456 N N LEU 452 . . A 1 9.636 87.218 56.456 1 30.14 ? N LEU 452 A 1 +ATOM 3457 C CA LEU 452 . . A 1 9.477 88.436 55.666 1 31.12 ? CA LEU 452 A 1 +ATOM 3458 C C LEU 452 . . A 1 8.561 89.402 56.374 1 32.76 ? C LEU 452 A 1 +ATOM 3459 O O LEU 452 . . A 1 8.601 90.608 56.162 1 34.65 ? O LEU 452 A 1 +ATOM 3460 C CB LEU 452 . . A 1 8.945 88.149 54.262 1 28.34 ? CB LEU 452 A 1 +ATOM 3461 C CG LEU 452 . . A 1 9.855 87.242 53.419 1 25.04 ? CG LEU 452 A 1 +ATOM 3462 C CD1 LEU 452 . . A 1 9.64 87.572 51.947 1 29.84 ? CD1 LEU 452 A 1 +ATOM 3463 C CD2 LEU 452 . . A 1 11.347 87.363 53.738 1 21.13 ? CD2 LEU 452 A 1 +ATOM 3464 N N VAL 453 . . A 1 7.715 88.831 57.23 1 33.5 ? N VAL 453 A 1 +ATOM 3465 C CA VAL 453 . . A 1 6.785 89.616 58.003 1 35.18 ? CA VAL 453 A 1 +ATOM 3466 C C VAL 453 . . A 1 7.585 90.214 59.143 1 37.58 ? C VAL 453 A 1 +ATOM 3467 O O VAL 453 . . A 1 7.915 89.555 60.116 1 41.33 ? O VAL 453 A 1 +ATOM 3468 C CB VAL 453 . . A 1 5.67 88.683 58.497 1 33.52 ? CB VAL 453 A 1 +ATOM 3469 C CG1 VAL 453 . . A 1 4.555 89.448 59.213 1 36.53 ? CG1 VAL 453 A 1 +ATOM 3470 C CG2 VAL 453 . . A 1 5.056 87.869 57.338 1 35.81 ? CG2 VAL 453 A 1 +ATOM 3471 N N LYS 454 . . A 1 7.877 91.503 59.035 1 42.92 ? N LYS 454 A 1 +ATOM 3472 C CA LYS 454 . . A 1 8.669 92.165 60.076 1 47.9 ? CA LYS 454 A 1 +ATOM 3473 C C LYS 454 . . A 1 8.02 92.125 61.467 1 47.66 ? C LYS 454 A 1 +ATOM 3474 O O LYS 454 . . A 1 8.691 92.052 62.489 1 47.79 ? O LYS 454 A 1 +ATOM 3475 C CB LYS 454 . . A 1 9.056 93.591 59.627 1 51.97 ? CB LYS 454 A 1 +ATOM 3476 C CG LYS 454 . . A 1 9.627 93.678 58.174 1 61.84 ? CG LYS 454 A 1 +ATOM 3477 C CD LYS 454 . . A 1 11.067 93.135 57.962 1 65.28 ? CD LYS 454 A 1 +ATOM 3478 C CE LYS 454 . . A 1 11.212 91.6 57.792 1 69.26 ? CE LYS 454 A 1 +ATOM 3479 N NZ LYS 454 . . A 1 12.612 91.209 57.883 1 74.01 ? NZ LYS 454 A 1 +ATOM 3480 N N GLU 455 . . A 1 6.675 92.124 61.481 1 45.37 ? N GLU 455 A 1 +ATOM 3481 C CA GLU 455 . . A 1 5.96 92.071 62.763 1 38.25 ? CA GLU 455 A 1 +ATOM 3482 C C GLU 455 . . A 1 6.248 90.803 63.54 1 35.88 ? C GLU 455 A 1 +ATOM 3483 O O GLU 455 . . A 1 5.957 90.725 64.719 1 37.11 ? O GLU 455 A 1 +ATOM 3484 C CB GLU 455 . . A 1 4.42 92.127 62.657 1 37.95 ? CB GLU 455 A 1 +ATOM 3485 N N LEU 456 . . A 1 6.81 89.791 62.886 1 31.87 ? N LEU 456 A 1 +ATOM 3486 C CA LEU 456 . . A 1 7.071 88.568 63.621 1 30.7 ? CA LEU 456 A 1 +ATOM 3487 C C LEU 456 . . A 1 8.401 88.558 64.368 1 32.17 ? C LEU 456 A 1 +ATOM 3488 O O LEU 456 . . A 1 8.719 87.593 65.061 1 30.98 ? O LEU 456 A 1 +ATOM 3489 C CB LEU 456 . . A 1 6.879 87.37 62.708 1 30.84 ? CB LEU 456 A 1 +ATOM 3490 C CG LEU 456 . . A 1 5.485 87.371 62.068 1 31.62 ? CG LEU 456 A 1 +ATOM 3491 C CD1 LEU 456 . . A 1 5.31 86.161 61.149 1 36.79 ? CD1 LEU 456 A 1 +ATOM 3492 C CD2 LEU 456 . . A 1 4.328 87.46 63.076 1 27.13 ? CD2 LEU 456 A 1 +ATOM 3493 N N ASN 457 . . A 1 9.185 89.624 64.218 1 31.39 ? N ASN 457 A 1 +ATOM 3494 C CA ASN 457 . . A 1 10.453 89.752 64.958 1 35.14 ? CA ASN 457 A 1 +ATOM 3495 C C ASN 457 . . A 1 11.59 88.804 64.619 1 32.17 ? C ASN 457 A 1 +ATOM 3496 O O ASN 457 . . A 1 12.171 88.197 65.517 1 32 ? O ASN 457 A 1 +ATOM 3497 C CB ASN 457 . . A 1 10.273 89.624 66.508 1 43.52 ? CB ASN 457 A 1 +ATOM 3498 C CG ASN 457 . . A 1 9.348 90.65 67.137 1 49.23 ? CG ASN 457 A 1 +ATOM 3499 O OD1 ASN 457 . . A 1 9.71 91.802 67.325 1 54.33 ? OD1 ASN 457 A 1 +ATOM 3500 N ND2 ASN 457 . . A 1 8.133 90.219 67.469 1 51.9 ? ND2 ASN 457 A 1 +ATOM 3501 N N TYR 458 . . A 1 11.913 88.633 63.338 1 28.42 ? N TYR 458 A 1 +ATOM 3502 C CA TYR 458 . . A 1 13.045 87.738 63.059 1 25.04 ? CA TYR 458 A 1 +ATOM 3503 C C TYR 458 . . A 1 14.182 88.661 62.723 1 24.07 ? C TYR 458 A 1 +ATOM 3504 O O TYR 458 . . A 1 13.974 89.827 62.42 1 25.65 ? O TYR 458 A 1 +ATOM 3505 C CB TYR 458 . . A 1 12.794 86.785 61.881 1 20 ? CB TYR 458 A 1 +ATOM 3506 C CG TYR 458 . . A 1 11.774 85.705 62.144 1 15.51 ? CG TYR 458 A 1 +ATOM 3507 C CD1 TYR 458 . . A 1 10.402 85.989 61.988 1 15.4 ? CD1 TYR 458 A 1 +ATOM 3508 C CD2 TYR 458 . . A 1 12.175 84.39 62.453 1 12.32 ? CD2 TYR 458 A 1 +ATOM 3509 C CE1 TYR 458 . . A 1 9.447 84.962 62.057 1 11.67 ? CE1 TYR 458 A 1 +ATOM 3510 C CE2 TYR 458 . . A 1 11.221 83.364 62.531 1 12.05 ? CE2 TYR 458 A 1 +ATOM 3511 C CZ TYR 458 . . A 1 9.861 83.644 62.307 1 12.36 ? CZ TYR 458 A 1 +ATOM 3512 O OH TYR 458 . . A 1 8.926 82.623 62.289 1 16.52 ? OH TYR 458 A 1 +ATOM 3513 N N THR 459 . . A 1 15.397 88.146 62.764 1 25.51 ? N THR 459 A 1 +ATOM 3514 C CA THR 459 . . A 1 16.491 89.042 62.421 1 30.49 ? CA THR 459 A 1 +ATOM 3515 C C THR 459 . . A 1 16.556 89.189 60.907 1 34.22 ? C THR 459 A 1 +ATOM 3516 O O THR 459 . . A 1 16.074 88.354 60.138 1 38.2 ? O THR 459 A 1 +ATOM 3517 C CB THR 459 . . A 1 17.828 88.505 62.978 1 31.63 ? CB THR 459 A 1 +ATOM 3518 O OG1 THR 459 . . A 1 18.006 87.127 62.639 1 32.54 ? OG1 THR 459 A 1 +ATOM 3519 C CG2 THR 459 . . A 1 17.895 88.568 64.503 1 37.27 ? CG2 THR 459 A 1 +ATOM 3520 N N ALA 460 . . A 1 17.256 90.25 60.485 1 35.28 ? N ALA 460 A 1 +ATOM 3521 C CA ALA 460 . . A 1 17.392 90.463 59.049 1 31.19 ? CA ALA 460 A 1 +ATOM 3522 C C ALA 460 . . A 1 18.147 89.318 58.423 1 31 ? C ALA 460 A 1 +ATOM 3523 O O ALA 460 . . A 1 17.868 88.901 57.311 1 36.66 ? O ALA 460 A 1 +ATOM 3524 C CB ALA 460 . . A 1 18.138 91.756 58.74 1 31.44 ? CB ALA 460 A 1 +ATOM 3525 N N GLU 461 . . A 1 19.12 88.794 59.182 1 26.39 ? N GLU 461 A 1 +ATOM 3526 C CA GLU 461 . . A 1 19.89 87.674 58.654 1 23.78 ? CA GLU 461 A 1 +ATOM 3527 C C GLU 461 . . A 1 18.974 86.461 58.393 1 23.06 ? C GLU 461 A 1 +ATOM 3528 O O GLU 461 . . A 1 19.246 85.601 57.572 1 26.98 ? O GLU 461 A 1 +ATOM 3529 C CB GLU 461 . . A 1 21.064 87.271 59.585 1 25.76 ? CB GLU 461 A 1 +ATOM 3530 C CG GLU 461 . . A 1 21.864 88.405 60.275 1 31.33 ? CG GLU 461 A 1 +ATOM 3531 N N GLU 462 . . A 1 17.866 86.374 59.133 1 22.8 ? N GLU 462 A 1 +ATOM 3532 C CA GLU 462 . . A 1 16.933 85.262 58.938 1 22.36 ? CA GLU 462 A 1 +ATOM 3533 C C GLU 462 . . A 1 16.067 85.557 57.749 1 23.82 ? C GLU 462 A 1 +ATOM 3534 O O GLU 462 . . A 1 15.62 84.657 57.053 1 26.24 ? O GLU 462 A 1 +ATOM 3535 C CB GLU 462 . . A 1 16.067 85.018 60.182 1 19.23 ? CB GLU 462 A 1 +ATOM 3536 C CG GLU 462 . . A 1 16.911 84.411 61.317 1 16.08 ? CG GLU 462 A 1 +ATOM 3537 C CD GLU 462 . . A 1 16.242 84.428 62.681 1 16.57 ? CD GLU 462 A 1 +ATOM 3538 O OE1 GLU 462 . . A 1 15.343 85.249 62.9 1 10.48 ? OE1 GLU 462 A 1 +ATOM 3539 O OE2 GLU 462 . . A 1 16.636 83.613 63.518 1 6.73 ? OE2 GLU 462 A 1 +ATOM 3540 N N GLU 463 . . A 1 15.804 86.853 57.519 1 26.21 ? N GLU 463 A 1 +ATOM 3541 C CA GLU 463 . . A 1 15 87.209 56.343 1 27.74 ? CA GLU 463 A 1 +ATOM 3542 C C GLU 463 . . A 1 15.748 86.741 55.097 1 24.31 ? C GLU 463 A 1 +ATOM 3543 O O GLU 463 . . A 1 15.214 86.181 54.152 1 23.26 ? O GLU 463 A 1 +ATOM 3544 C CB GLU 463 . . A 1 14.741 88.72 56.214 1 33.13 ? CB GLU 463 A 1 +ATOM 3545 C CG GLU 463 . . A 1 13.667 88.991 55.142 1 43.02 ? CG GLU 463 A 1 +ATOM 3546 C CD GLU 463 . . A 1 13.678 90.403 54.567 1 49.44 ? CD GLU 463 A 1 +ATOM 3547 O OE1 GLU 463 . . A 1 14.724 90.82 54.065 1 55.82 ? OE1 GLU 463 A 1 +ATOM 3548 O OE2 GLU 463 . . A 1 12.639 91.071 54.602 1 52.07 ? OE2 GLU 463 A 1 +ATOM 3549 N N ALA 464 . . A 1 17.053 86.988 55.147 1 21.45 ? N ALA 464 A 1 +ATOM 3550 C CA ALA 464 . . A 1 17.904 86.571 54.059 1 17.4 ? CA ALA 464 A 1 +ATOM 3551 C C ALA 464 . . A 1 17.806 85.072 53.872 1 16.84 ? C ALA 464 A 1 +ATOM 3552 O O ALA 464 . . A 1 17.625 84.578 52.772 1 23.96 ? O ALA 464 A 1 +ATOM 3553 C CB ALA 464 . . A 1 19.359 86.947 54.361 1 18 ? CB ALA 464 A 1 +ATOM 3554 N N LEU 465 . . A 1 17.917 84.353 54.99 1 14.92 ? N LEU 465 A 1 +ATOM 3555 C CA LEU 465 . . A 1 17.84 82.901 54.957 1 11.99 ? CA LEU 465 A 1 +ATOM 3556 C C LEU 465 . . A 1 16.538 82.392 54.346 1 13.91 ? C LEU 465 A 1 +ATOM 3557 O O LEU 465 . . A 1 16.581 81.508 53.502 1 14.21 ? O LEU 465 A 1 +ATOM 3558 C CB LEU 465 . . A 1 18.063 82.291 56.357 1 10.67 ? CB LEU 465 A 1 +ATOM 3559 C CG LEU 465 . . A 1 18.192 80.753 56.381 1 11.62 ? CG LEU 465 A 1 +ATOM 3560 C CD1 LEU 465 . . A 1 19.344 80.255 55.509 1 19.35 ? CD1 LEU 465 A 1 +ATOM 3561 C CD2 LEU 465 . . A 1 18.403 80.203 57.788 1 11.16 ? CD2 LEU 465 A 1 +ATOM 3562 N N SER 466 . . A 1 15.367 82.933 54.737 1 12.62 ? N SER 466 A 1 +ATOM 3563 C CA SER 466 . . A 1 14.166 82.366 54.11 1 17.34 ? CA SER 466 A 1 +ATOM 3564 C C SER 466 . . A 1 14.102 82.694 52.637 1 22.63 ? C SER 466 A 1 +ATOM 3565 O O SER 466 . . A 1 13.545 81.933 51.858 1 26.36 ? O SER 466 A 1 +ATOM 3566 C CB SER 466 . . A 1 12.832 82.685 54.78 1 14.63 ? CB SER 466 A 1 +ATOM 3567 O OG SER 466 . . A 1 12.762 84.077 55.007 1 25.19 ? OG SER 466 A 1 +ATOM 3568 N N ARG 467 . . A 1 14.675 83.836 52.233 1 22.38 ? N ARG 467 A 1 +ATOM 3569 C CA ARG 467 . . A 1 14.612 84.09 50.803 1 20.89 ? CA ARG 467 A 1 +ATOM 3570 C C ARG 467 . . A 1 15.467 83.065 50.051 1 20.9 ? C ARG 467 A 1 +ATOM 3571 O O ARG 467 . . A 1 15.126 82.65 48.949 1 22.37 ? O ARG 467 A 1 +ATOM 3572 C CB ARG 467 . . A 1 15.008 85.515 50.486 1 20.62 ? CB ARG 467 A 1 +ATOM 3573 C CG ARG 467 . . A 1 14.021 86.543 51.059 1 24.03 ? CG ARG 467 A 1 +ATOM 3574 C CD ARG 467 . . A 1 14.477 87.965 50.698 1 29.71 ? CD ARG 467 A 1 +ATOM 3575 N NE ARG 467 . . A 1 13.686 88.998 51.343 1 34.93 ? NE ARG 467 A 1 +ATOM 3576 C CZ ARG 467 . . A 1 12.56 89.506 50.812 1 36.36 ? CZ ARG 467 A 1 +ATOM 3577 N NH1 ARG 467 . . A 1 12.048 89.034 49.678 1 36.65 ? NH1 ARG 467 A 1 +ATOM 3578 N NH2 ARG 467 . . A 1 11.944 90.507 51.441 1 40.08 ? NH2 ARG 467 A 1 +ATOM 3579 N N ARG 468 . . A 1 16.576 82.636 50.669 1 17.65 ? N ARG 468 A 1 +ATOM 3580 C CA ARG 468 . . A 1 17.387 81.648 49.973 1 19.11 ? CA ARG 468 A 1 +ATOM 3581 C C ARG 468 . . A 1 16.678 80.334 49.9 1 20.33 ? C ARG 468 A 1 +ATOM 3582 O O ARG 468 . . A 1 16.709 79.626 48.903 1 22.41 ? O ARG 468 A 1 +ATOM 3583 C CB ARG 468 . . A 1 18.738 81.36 50.64 1 18.67 ? CB ARG 468 A 1 +ATOM 3584 C CG ARG 468 . . A 1 19.467 82.632 51.088 1 28.44 ? CG ARG 468 A 1 +ATOM 3585 C CD ARG 468 . . A 1 21.002 82.519 51.106 1 34.04 ? CD ARG 468 A 1 +ATOM 3586 N NE ARG 468 . . A 1 21.519 81.658 52.167 1 40.98 ? NE ARG 468 A 1 +ATOM 3587 C CZ ARG 468 . . A 1 21.745 80.345 51.975 1 44.67 ? CZ ARG 468 A 1 +ATOM 3588 N NH1 ARG 468 . . A 1 21.341 79.745 50.866 1 46.16 ? NH1 ARG 468 A 1 +ATOM 3589 N NH2 ARG 468 . . A 1 22.383 79.621 52.895 1 46.32 ? NH2 ARG 468 A 1 +ATOM 3590 N N ILE 469 . . A 1 16.03 80.025 51.022 1 20.68 ? N ILE 469 A 1 +ATOM 3591 C CA ILE 469 . . A 1 15.311 78.769 51.105 1 19.33 ? CA ILE 469 A 1 +ATOM 3592 C C ILE 469 . . A 1 14.193 78.758 50.084 1 19.36 ? C ILE 469 A 1 +ATOM 3593 O O ILE 469 . . A 1 14.06 77.842 49.284 1 23.77 ? O ILE 469 A 1 +ATOM 3594 C CB ILE 469 . . A 1 14.783 78.529 52.537 1 17.87 ? CB ILE 469 A 1 +ATOM 3595 C CG1 ILE 469 . . A 1 15.877 78.713 53.626 1 17.95 ? CG1 ILE 469 A 1 +ATOM 3596 C CG2 ILE 469 . . A 1 14.077 77.177 52.658 1 17.95 ? CG2 ILE 469 A 1 +ATOM 3597 C CD1 ILE 469 . . A 1 16.398 77.436 54.273 1 10.76 ? CD1 ILE 469 A 1 +ATOM 3598 N N MET 470 . . A 1 13.39 79.821 50.11 1 16.41 ? N MET 470 A 1 +ATOM 3599 C CA MET 470 . . A 1 12.27 79.928 49.189 1 16.31 ? CA MET 470 A 1 +ATOM 3600 C C MET 470 . . A 1 12.703 79.892 47.736 1 16.06 ? C MET 470 A 1 +ATOM 3601 O O MET 470 . . A 1 11.992 79.431 46.852 1 13.24 ? O MET 470 A 1 +ATOM 3602 C CB MET 470 . . A 1 11.493 81.22 49.444 1 14.61 ? CB MET 470 A 1 +ATOM 3603 C CG MET 470 . . A 1 10.687 81.174 50.737 1 15.84 ? CG MET 470 A 1 +ATOM 3604 S SD MET 470 . . A 1 9.476 82.526 50.688 1 15.15 ? SD MET 470 A 1 +ATOM 3605 C CE MET 470 . . A 1 10.636 83.92 50.863 1 15.78 ? CE MET 470 A 1 +ATOM 3606 N N HIS 471 . . A 1 13.896 80.417 47.493 1 17.2 ? N HIS 471 A 1 +ATOM 3607 C CA HIS 471 . . A 1 14.352 80.401 46.118 1 21.69 ? CA HIS 471 A 1 +ATOM 3608 C C HIS 471 . . A 1 14.757 78.995 45.748 1 20.45 ? C HIS 471 A 1 +ATOM 3609 O O HIS 471 . . A 1 14.348 78.472 44.731 1 20.2 ? O HIS 471 A 1 +ATOM 3610 C CB HIS 471 . . A 1 15.475 81.429 45.913 1 29.47 ? CB HIS 471 A 1 +ATOM 3611 C CG HIS 471 . . A 1 15.657 81.781 44.446 1 33.27 ? CG HIS 471 A 1 +ATOM 3612 N ND1 HIS 471 . . A 1 14.668 82.211 43.634 1 33.46 ? ND1 HIS 471 A 1 +ATOM 3613 C CD2 HIS 471 . . A 1 16.854 81.743 43.693 1 34.65 ? CD2 HIS 471 A 1 +ATOM 3614 C CE1 HIS 471 . . A 1 15.227 82.43 42.433 1 37.54 ? CE1 HIS 471 A 1 +ATOM 3615 N NE2 HIS 471 . . A 1 16.548 82.159 42.446 1 37.05 ? NE2 HIS 471 A 1 +ATOM 3616 N N TYR 472 . . A 1 15.524 78.353 46.625 1 21.14 ? N TYR 472 A 1 +ATOM 3617 C CA TYR 472 . . A 1 15.949 76.982 46.342 1 19.71 ? CA TYR 472 A 1 +ATOM 3618 C C TYR 472 . . A 1 14.75 76.076 46.083 1 20.98 ? C TYR 472 A 1 +ATOM 3619 O O TYR 472 . . A 1 14.714 75.22 45.206 1 22.37 ? O TYR 472 A 1 +ATOM 3620 C CB TYR 472 . . A 1 16.667 76.379 47.569 1 20.34 ? CB TYR 472 A 1 +ATOM 3621 C CG TYR 472 . . A 1 18.07 76.843 47.86 1 23.95 ? CG TYR 472 A 1 +ATOM 3622 C CD1 TYR 472 . . A 1 18.992 77.017 46.826 1 24.9 ? CD1 TYR 472 A 1 +ATOM 3623 C CD2 TYR 472 . . A 1 18.484 77.038 49.186 1 26.94 ? CD2 TYR 472 A 1 +ATOM 3624 C CE1 TYR 472 . . A 1 20.319 77.345 47.103 1 26.1 ? CE1 TYR 472 A 1 +ATOM 3625 C CE2 TYR 472 . . A 1 19.814 77.368 49.468 1 30.01 ? CE2 TYR 472 A 1 +ATOM 3626 C CZ TYR 472 . . A 1 20.74 77.515 48.424 1 30.84 ? CZ TYR 472 A 1 +ATOM 3627 O OH TYR 472 . . A 1 22.066 77.823 48.69 1 36.97 ? OH TYR 472 A 1 +ATOM 3628 N N TRP 473 . . A 1 13.744 76.283 46.923 1 18.72 ? N TRP 473 A 1 +ATOM 3629 C CA TRP 473 . . A 1 12.55 75.483 46.804 1 20.3 ? CA TRP 473 A 1 +ATOM 3630 C C TRP 473 . . A 1 11.855 75.781 45.475 1 20.82 ? C TRP 473 A 1 +ATOM 3631 O O TRP 473 . . A 1 11.469 74.865 44.757 1 22.52 ? O TRP 473 A 1 +ATOM 3632 C CB TRP 473 . . A 1 11.611 75.704 48.027 1 17.97 ? CB TRP 473 A 1 +ATOM 3633 C CG TRP 473 . . A 1 11.772 74.677 49.157 1 18.66 ? CG TRP 473 A 1 +ATOM 3634 C CD1 TRP 473 . . A 1 10.715 73.896 49.684 1 15 ? CD1 TRP 473 A 1 +ATOM 3635 C CD2 TRP 473 . . A 1 12.93 74.304 49.885 1 16.88 ? CD2 TRP 473 A 1 +ATOM 3636 N NE1 TRP 473 . . A 1 11.154 73.078 50.675 1 14.33 ? NE1 TRP 473 A 1 +ATOM 3637 C CE2 TRP 473 . . A 1 12.501 73.272 50.857 1 13.46 ? CE2 TRP 473 A 1 +ATOM 3638 C CE3 TRP 473 . . A 1 14.272 74.684 49.864 1 18.34 ? CE3 TRP 473 A 1 +ATOM 3639 C CZ2 TRP 473 . . A 1 13.458 72.703 51.715 1 10.94 ? CZ2 TRP 473 A 1 +ATOM 3640 C CZ3 TRP 473 . . A 1 15.204 74.093 50.741 1 15.94 ? CZ3 TRP 473 A 1 +ATOM 3641 C CH2 TRP 473 . . A 1 14.797 73.118 51.659 1 13.44 ? CH2 TRP 473 A 1 +ATOM 3642 N N ALA 474 . . A 1 11.725 77.08 45.143 1 18.06 ? N ALA 474 A 1 +ATOM 3643 C CA ALA 474 . . A 1 11.038 77.443 43.897 1 12.46 ? CA ALA 474 A 1 +ATOM 3644 C C ALA 474 . . A 1 11.815 76.997 42.682 1 10.86 ? C ALA 474 A 1 +ATOM 3645 O O ALA 474 . . A 1 11.29 76.292 41.835 1 13.28 ? O ALA 474 A 1 +ATOM 3646 C CB ALA 474 . . A 1 10.74 78.933 43.835 1 11.11 ? CB ALA 474 A 1 +ATOM 3647 N N THR 475 . . A 1 13.074 77.399 42.593 1 7.89 ? N THR 475 A 1 +ATOM 3648 C CA THR 475 . . A 1 13.95 77.014 41.495 1 9.64 ? CA THR 475 A 1 +ATOM 3649 C C THR 475 . . A 1 14.029 75.501 41.324 1 12.78 ? C THR 475 A 1 +ATOM 3650 O O THR 475 . . A 1 14.08 74.974 40.219 1 12.13 ? O THR 475 A 1 +ATOM 3651 C CB THR 475 . . A 1 15.327 77.597 41.792 1 7.84 ? CB THR 475 A 1 +ATOM 3652 O OG1 THR 475 . . A 1 15.073 78.985 41.895 1 11.47 ? OG1 THR 475 A 1 +ATOM 3653 C CG2 THR 475 . . A 1 16.398 77.356 40.722 1 6.36 ? CG2 THR 475 A 1 +ATOM 3654 N N PHE 476 . . A 1 14.034 74.766 42.439 1 16.53 ? N PHE 476 A 1 +ATOM 3655 C CA PHE 476 . . A 1 14.063 73.322 42.254 1 16.97 ? CA PHE 476 A 1 +ATOM 3656 C C PHE 476 . . A 1 12.729 72.858 41.634 1 19.25 ? C PHE 476 A 1 +ATOM 3657 O O PHE 476 . . A 1 12.684 71.957 40.806 1 20.45 ? O PHE 476 A 1 +ATOM 3658 C CB PHE 476 . . A 1 14.322 72.604 43.592 1 14.69 ? CB PHE 476 A 1 +ATOM 3659 C CG PHE 476 . . A 1 14.13 71.11 43.47 1 8.02 ? CG PHE 476 A 1 +ATOM 3660 C CD1 PHE 476 . . A 1 15.191 70.29 43.041 1 8.4 ? CD1 PHE 476 A 1 +ATOM 3661 C CD2 PHE 476 . . A 1 12.871 70.541 43.736 1 2 ? CD2 PHE 476 A 1 +ATOM 3662 C CE1 PHE 476 . . A 1 14.993 68.913 42.87 1 8.04 ? CE1 PHE 476 A 1 +ATOM 3663 C CE2 PHE 476 . . A 1 12.666 69.171 43.563 1 2 ? CE2 PHE 476 A 1 +ATOM 3664 C CZ PHE 476 . . A 1 13.726 68.359 43.132 1 8.31 ? CZ PHE 476 A 1 +ATOM 3665 N N ALA 477 . . A 1 11.641 73.498 42.056 1 19.29 ? N ALA 477 A 1 +ATOM 3666 C CA ALA 477 . . A 1 10.344 73.088 41.528 1 23.33 ? CA ALA 477 A 1 +ATOM 3667 C C ALA 477 . . A 1 10.208 73.333 40.055 1 25.47 ? C ALA 477 A 1 +ATOM 3668 O O ALA 477 . . A 1 9.512 72.608 39.359 1 31.09 ? O ALA 477 A 1 +ATOM 3669 C CB ALA 477 . . A 1 9.185 73.787 42.257 1 21.87 ? CB ALA 477 A 1 +ATOM 3670 N N LYS 478 . . A 1 10.871 74.396 39.589 1 25.09 ? N LYS 478 A 1 +ATOM 3671 C CA LYS 478 . . A 1 10.77 74.689 38.16 1 23.32 ? CA LYS 478 A 1 +ATOM 3672 C C LYS 478 . . A 1 11.755 73.867 37.357 1 20.81 ? C LYS 478 A 1 +ATOM 3673 O O LYS 478 . . A 1 11.423 73.053 36.521 1 26.35 ? O LYS 478 A 1 +ATOM 3674 C CB LYS 478 . . A 1 11.013 76.172 37.858 1 24.55 ? CB LYS 478 A 1 +ATOM 3675 C CG LYS 478 . . A 1 10.29 77.145 38.788 1 27.31 ? CG LYS 478 A 1 +ATOM 3676 C CD LYS 478 . . A 1 10.07 78.487 38.068 1 36.59 ? CD LYS 478 A 1 +ATOM 3677 N N THR 479 . . A 1 13.002 74.13 37.645 1 15.01 ? N THR 479 A 1 +ATOM 3678 C CA THR 479 . . A 1 14.102 73.509 36.995 1 13.07 ? CA THR 479 A 1 +ATOM 3679 C C THR 479 . . A 1 14.392 72.091 37.362 1 16.43 ? C THR 479 A 1 +ATOM 3680 O O THR 479 . . A 1 14.615 71.263 36.499 1 22.36 ? O THR 479 A 1 +ATOM 3681 C CB THR 479 . . A 1 15.332 74.313 37.42 1 13.16 ? CB THR 479 A 1 +ATOM 3682 O OG1 THR 479 . . A 1 15.09 75.645 37.005 1 20.56 ? OG1 THR 479 A 1 +ATOM 3683 C CG2 THR 479 . . A 1 16.67 73.866 36.836 1 19.93 ? CG2 THR 479 A 1 +ATOM 3684 N N GLY 480 . . A 1 14.472 71.805 38.653 1 20.24 ? N GLY 480 A 1 +ATOM 3685 C CA GLY 480 . . A 1 14.836 70.44 39.044 1 16.81 ? CA GLY 480 A 1 +ATOM 3686 C C GLY 480 . . A 1 16.209 70.443 39.664 1 15.43 ? C GLY 480 A 1 +ATOM 3687 O O GLY 480 . . A 1 16.827 69.429 39.964 1 16.07 ? O GLY 480 A 1 +ATOM 3688 N N ASN 481 . . A 1 16.709 71.653 39.846 1 13.23 ? N ASN 481 A 1 +ATOM 3689 C CA ASN 481 . . A 1 18.005 71.873 40.445 1 15.96 ? CA ASN 481 A 1 +ATOM 3690 C C ASN 481 . . A 1 17.73 73.119 41.247 1 18.94 ? C ASN 481 A 1 +ATOM 3691 O O ASN 481 . . A 1 17.024 73.96 40.705 1 22.56 ? O ASN 481 A 1 +ATOM 3692 C CB ASN 481 . . A 1 19.029 72.126 39.349 1 17.9 ? CB ASN 481 A 1 +ATOM 3693 C CG ASN 481 . . A 1 20.375 72.417 39.921 1 19.48 ? CG ASN 481 A 1 +ATOM 3694 O OD1 ASN 481 . . A 1 20.513 73.084 40.924 1 25.74 ? OD1 ASN 481 A 1 +ATOM 3695 N ND2 ASN 481 . . A 1 21.399 71.899 39.278 1 23.51 ? ND2 ASN 481 A 1 +ATOM 3696 N N PRO 482 . . A 1 18.168 73.197 42.528 1 19.54 ? N PRO 482 A 1 +ATOM 3697 C CA PRO 482 . . A 1 17.886 74.366 43.366 1 19.34 ? CA PRO 482 A 1 +ATOM 3698 C C PRO 482 . . A 1 18.739 75.583 43.049 1 21.48 ? C PRO 482 A 1 +ATOM 3699 O O PRO 482 . . A 1 18.451 76.7 43.465 1 21.62 ? O PRO 482 A 1 +ATOM 3700 C CB PRO 482 . . A 1 18.23 73.874 44.785 1 18.08 ? CB PRO 482 A 1 +ATOM 3701 C CG PRO 482 . . A 1 19.205 72.705 44.604 1 16.26 ? CG PRO 482 A 1 +ATOM 3702 C CD PRO 482 . . A 1 18.867 72.121 43.238 1 17.03 ? CD PRO 482 A 1 +ATOM 3703 N N ASN 483 . . A 1 19.846 75.327 42.358 1 23.18 ? N ASN 483 A 1 +ATOM 3704 C CA ASN 483 . . A 1 20.779 76.374 41.991 1 25.35 ? CA ASN 483 A 1 +ATOM 3705 C C ASN 483 . . A 1 20.437 77.083 40.708 1 29.38 ? C ASN 483 A 1 +ATOM 3706 O O ASN 483 . . A 1 20.162 76.487 39.676 1 31.96 ? O ASN 483 A 1 +ATOM 3707 C CB ASN 483 . . A 1 22.151 75.763 41.699 1 22.37 ? CB ASN 483 A 1 +ATOM 3708 C CG ASN 483 . . A 1 22.794 75.294 42.96 1 25.4 ? CG ASN 483 A 1 +ATOM 3709 O OD1 ASN 483 . . A 1 22.995 74.115 43.211 1 18.89 ? OD1 ASN 483 A 1 +ATOM 3710 N ND2 ASN 483 . . A 1 23.13 76.288 43.791 1 27.5 ? ND2 ASN 483 A 1 +ATOM 3711 N N GLU 484 . . A 1 20.466 78.424 40.773 1 34.07 ? N GLU 484 A 1 +ATOM 3712 C CA GLU 484 . . A 1 20.242 79.176 39.54 1 37.82 ? CA GLU 484 A 1 +ATOM 3713 C C GLU 484 . . A 1 21.578 78.951 38.851 1 44.5 ? C GLU 484 A 1 +ATOM 3714 O O GLU 484 . . A 1 22.56 78.711 39.559 1 43.46 ? O GLU 484 A 1 +ATOM 3715 C CB GLU 484 . . A 1 20.014 80.696 39.74 1 36.04 ? CB GLU 484 A 1 +ATOM 3716 C CG GLU 484 . . A 1 18.511 81.037 39.875 1 34.11 ? CG GLU 484 A 1 +ATOM 3717 N N PRO 485 . . A 1 21.583 79.025 37.5 1 50.47 ? N PRO 485 A 1 +ATOM 3718 C CA PRO 485 . . A 1 22.85 79.019 36.758 1 51.91 ? CA PRO 485 A 1 +ATOM 3719 C C PRO 485 . . A 1 23.766 80.205 37.072 1 52.65 ? C PRO 485 A 1 +ATOM 3720 O O PRO 485 . . A 1 24.981 80.013 37.035 1 52.72 ? O PRO 485 A 1 +ATOM 3721 C CB PRO 485 . . A 1 22.418 78.986 35.283 1 52.01 ? CB PRO 485 A 1 +ATOM 3722 C CG PRO 485 . . A 1 20.927 78.579 35.263 1 50.28 ? CG PRO 485 A 1 +ATOM 3723 C CD PRO 485 . . A 1 20.381 78.905 36.656 1 49.49 ? CD PRO 485 A 1 +ATOM 3724 N N SER 490 . . A 1 26.591 79.111 46.48 1 46.63 ? N SER 490 A 1 +ATOM 3725 C CA SER 490 . . A 1 27.53 78.335 45.692 1 45.59 ? CA SER 490 A 1 +ATOM 3726 C C SER 490 . . A 1 26.698 77.159 45.269 1 42.64 ? C SER 490 A 1 +ATOM 3727 O O SER 490 . . A 1 25.538 77.111 45.674 1 42.6 ? O SER 490 A 1 +ATOM 3728 C CB SER 490 . . A 1 28.772 78.073 46.562 1 47.19 ? CB SER 490 A 1 +ATOM 3729 O OG SER 490 . . A 1 29.102 79.384 47.073 1 50.73 ? OG SER 490 A 1 +ATOM 3730 N N LYS 491 . . A 1 27.241 76.276 44.447 1 38.77 ? N LYS 491 A 1 +ATOM 3731 C CA LYS 491 . . A 1 26.402 75.181 44.041 1 36.63 ? CA LYS 491 A 1 +ATOM 3732 C C LYS 491 . . A 1 26.177 74.297 45.234 1 33.13 ? C LYS 491 A 1 +ATOM 3733 O O LYS 491 . . A 1 27.062 74.134 46.06 1 35.13 ? O LYS 491 A 1 +ATOM 3734 C CB LYS 491 . . A 1 27.005 74.422 42.846 1 40.99 ? CB LYS 491 A 1 +ATOM 3735 C CG LYS 491 . . A 1 27.213 75.311 41.594 1 48.99 ? CG LYS 491 A 1 +ATOM 3736 C CD LYS 491 . . A 1 25.893 75.808 40.953 1 57.24 ? CD LYS 491 A 1 +ATOM 3737 C CE LYS 491 . . A 1 26.055 76.967 39.944 1 61.63 ? CE LYS 491 A 1 +ATOM 3738 N NZ LYS 491 . . A 1 26.3 78.221 40.64 1 62.54 ? NZ LYS 491 A 1 +ATOM 3739 N N TRP 492 . . A 1 24.951 73.815 45.309 1 26.12 ? N TRP 492 A 1 +ATOM 3740 C CA TRP 492 . . A 1 24.5 72.929 46.334 1 19 ? CA TRP 492 A 1 +ATOM 3741 C C TRP 492 . . A 1 24.755 71.623 45.588 1 18.58 ? C TRP 492 A 1 +ATOM 3742 O O TRP 492 . . A 1 24.022 71.332 44.657 1 20.29 ? O TRP 492 A 1 +ATOM 3743 C CB TRP 492 . . A 1 22.994 73.252 46.571 1 11.79 ? CB TRP 492 A 1 +ATOM 3744 C CG TRP 492 . . A 1 22.225 72.25 47.431 1 10.05 ? CG TRP 492 A 1 +ATOM 3745 C CD1 TRP 492 . . A 1 22.584 70.919 47.775 1 7.17 ? CD1 TRP 492 A 1 +ATOM 3746 C CD2 TRP 492 . . A 1 20.962 72.476 48.003 1 6.08 ? CD2 TRP 492 A 1 +ATOM 3747 N NE1 TRP 492 . . A 1 21.616 70.329 48.509 1 9.72 ? NE1 TRP 492 A 1 +ATOM 3748 C CE2 TRP 492 . . A 1 20.594 71.219 48.686 1 6.7 ? CE2 TRP 492 A 1 +ATOM 3749 C CE3 TRP 492 . . A 1 20.074 73.558 48.02 1 9.07 ? CE3 TRP 492 A 1 +ATOM 3750 C CZ2 TRP 492 . . A 1 19.363 71.13 49.348 1 5.91 ? CZ2 TRP 492 A 1 +ATOM 3751 C CZ3 TRP 492 . . A 1 18.846 73.43 48.7 1 6.97 ? CZ3 TRP 492 A 1 +ATOM 3752 C CH2 TRP 492 . . A 1 18.498 72.235 49.355 1 4.77 ? CH2 TRP 492 A 1 +ATOM 3753 N N PRO 493 . . A 1 25.819 70.87 45.921 1 17.27 ? N PRO 493 A 1 +ATOM 3754 C CA PRO 493 . . A 1 26.128 69.659 45.145 1 19.88 ? CA PRO 493 A 1 +ATOM 3755 C C PRO 493 . . A 1 25.022 68.629 45.075 1 20.16 ? C PRO 493 A 1 +ATOM 3756 O O PRO 493 . . A 1 24.136 68.597 45.921 1 26.93 ? O PRO 493 A 1 +ATOM 3757 C CB PRO 493 . . A 1 27.271 68.983 45.936 1 19.03 ? CB PRO 493 A 1 +ATOM 3758 C CG PRO 493 . . A 1 27.844 70.063 46.857 1 22.5 ? CG PRO 493 A 1 +ATOM 3759 C CD PRO 493 . . A 1 26.749 71.135 47.013 1 18.43 ? CD PRO 493 A 1 +ATOM 3760 N N LEU 494 . . A 1 25.13 67.751 44.078 1 18.42 ? N LEU 494 A 1 +ATOM 3761 C CA LEU 494 . . A 1 24.14 66.682 43.997 1 19.26 ? CA LEU 494 A 1 +ATOM 3762 C C LEU 494 . . A 1 24.604 65.687 45.037 1 21.65 ? C LEU 494 A 1 +ATOM 3763 O O LEU 494 . . A 1 25.778 65.617 45.407 1 26.28 ? O LEU 494 A 1 +ATOM 3764 C CB LEU 494 . . A 1 24.198 65.863 42.675 1 18.39 ? CB LEU 494 A 1 +ATOM 3765 C CG LEU 494 . . A 1 23.502 66.431 41.42 1 14.5 ? CG LEU 494 A 1 +ATOM 3766 C CD1 LEU 494 . . A 1 24.072 65.72 40.181 1 14.53 ? CD1 LEU 494 A 1 +ATOM 3767 C CD2 LEU 494 . . A 1 21.976 66.245 41.464 1 4.23 ? CD2 LEU 494 A 1 +ATOM 3768 N N PHE 495 . . A 1 23.658 64.893 45.485 1 20.58 ? N PHE 495 A 1 +ATOM 3769 C CA PHE 495 . . A 1 24.01 63.884 46.449 1 24.09 ? CA PHE 495 A 1 +ATOM 3770 C C PHE 495 . . A 1 24.387 62.725 45.561 1 25.16 ? C PHE 495 A 1 +ATOM 3771 O O PHE 495 . . A 1 23.678 62.448 44.6 1 27.4 ? O PHE 495 A 1 +ATOM 3772 C CB PHE 495 . . A 1 22.79 63.533 47.346 1 24 ? CB PHE 495 A 1 +ATOM 3773 C CG PHE 495 . . A 1 23.04 62.305 48.198 1 19.91 ? CG PHE 495 A 1 +ATOM 3774 C CD1 PHE 495 . . A 1 22.816 61.023 47.681 1 19.53 ? CD1 PHE 495 A 1 +ATOM 3775 C CD2 PHE 495 . . A 1 23.561 62.437 49.487 1 19.87 ? CD2 PHE 495 A 1 +ATOM 3776 C CE1 PHE 495 . . A 1 23.152 59.888 48.429 1 23.95 ? CE1 PHE 495 A 1 +ATOM 3777 C CE2 PHE 495 . . A 1 23.875 61.305 50.24 1 20.88 ? CE2 PHE 495 A 1 +ATOM 3778 C CZ PHE 495 . . A 1 23.69 60.024 49.713 1 20.47 ? CZ PHE 495 A 1 +ATOM 3779 N N THR 496 . . A 1 25.487 62.048 45.868 1 26.97 ? N THR 496 A 1 +ATOM 3780 C CA THR 496 . . A 1 25.872 60.907 45.06 1 28.29 ? CA THR 496 A 1 +ATOM 3781 C C THR 496 . . A 1 26.175 59.786 46.027 1 30.14 ? C THR 496 A 1 +ATOM 3782 O O THR 496 . . A 1 26.657 60.005 47.13 1 31.89 ? O THR 496 A 1 +ATOM 3783 C CB THR 496 . . A 1 27.053 61.284 44.158 1 30.33 ? CB THR 496 A 1 +ATOM 3784 O OG1 THR 496 . . A 1 28.256 61.472 44.897 1 36.96 ? OG1 THR 496 A 1 +ATOM 3785 C CG2 THR 496 . . A 1 26.828 62.591 43.379 1 34.12 ? CG2 THR 496 A 1 +ATOM 3786 N N THR 497 . . A 1 25.927 58.562 45.611 1 31.97 ? N THR 497 A 1 +ATOM 3787 C CA THR 497 . . A 1 26.216 57.468 46.527 1 33.76 ? CA THR 497 A 1 +ATOM 3788 C C THR 497 . . A 1 27.712 57.368 46.853 1 37.8 ? C THR 497 A 1 +ATOM 3789 O O THR 497 . . A 1 28.118 56.851 47.886 1 40.57 ? O THR 497 A 1 +ATOM 3790 C CB THR 497 . . A 1 25.634 56.185 45.937 1 32.55 ? CB THR 497 A 1 +ATOM 3791 O OG1 THR 497 . . A 1 26.015 56.13 44.56 1 37.23 ? OG1 THR 497 A 1 +ATOM 3792 C CG2 THR 497 . . A 1 24.099 56.14 45.988 1 34.37 ? CG2 THR 497 A 1 +ATOM 3793 N N LYS 498 . . A 1 28.511 57.888 45.908 1 40.37 ? N LYS 498 A 1 +ATOM 3794 C CA LYS 498 . . A 1 29.96 57.887 46.057 1 42.8 ? CA LYS 498 A 1 +ATOM 3795 C C LYS 498 . . A 1 30.373 58.851 47.147 1 42.93 ? C LYS 498 A 1 +ATOM 3796 O O LYS 498 . . A 1 30.764 58.517 48.254 1 43.73 ? O LYS 498 A 1 +ATOM 3797 C CB LYS 498 . . A 1 30.722 58.284 44.762 1 42.58 ? CB LYS 498 A 1 +ATOM 3798 N N GLU 499 . . A 1 30.274 60.117 46.782 1 43.38 ? N GLU 499 A 1 +ATOM 3799 C CA GLU 499 . . A 1 30.643 61.219 47.656 1 44.02 ? CA GLU 499 A 1 +ATOM 3800 C C GLU 499 . . A 1 29.337 61.877 48.026 1 42.03 ? C GLU 499 A 1 +ATOM 3801 O O GLU 499 . . A 1 28.832 62.794 47.38 1 45.5 ? O GLU 499 A 1 +ATOM 3802 C CB GLU 499 . . A 1 31.619 62.139 46.899 1 45.86 ? CB GLU 499 A 1 +ATOM 3803 C CG GLU 499 . . A 1 31.172 62.342 45.437 1 45.32 ? CG GLU 499 A 1 +ATOM 3804 N N GLN 500 . . A 1 28.787 61.317 49.089 1 36.62 ? N GLN 500 A 1 +ATOM 3805 C CA GLN 500 . . A 1 27.509 61.713 49.653 1 33.88 ? CA GLN 500 A 1 +ATOM 3806 C C GLN 500 . . A 1 27.47 63.138 50.196 1 31.5 ? C GLN 500 A 1 +ATOM 3807 O O GLN 500 . . A 1 27.473 63.311 51.409 1 37.01 ? O GLN 500 A 1 +ATOM 3808 C CB GLN 500 . . A 1 27.23 60.692 50.764 1 35.36 ? CB GLN 500 A 1 +ATOM 3809 C CG GLN 500 . . A 1 27.456 59.25 50.291 1 34.03 ? CG GLN 500 A 1 +ATOM 3810 C CD GLN 500 . . A 1 26.779 58.232 51.164 1 36.65 ? CD GLN 500 A 1 +ATOM 3811 O OE1 GLN 500 . . A 1 26.191 58.493 52.215 1 38.59 ? OE1 GLN 500 A 1 +ATOM 3812 N NE2 GLN 500 . . A 1 26.894 57.016 50.684 1 39.33 ? NE2 GLN 500 A 1 +ATOM 3813 N N LYS 501 . . A 1 27.434 64.14 49.321 1 26.18 ? N LYS 501 A 1 +ATOM 3814 C CA LYS 501 . . A 1 27.421 65.517 49.789 1 21.65 ? CA LYS 501 A 1 +ATOM 3815 C C LYS 501 . . A 1 26.041 66.019 50.134 1 21.55 ? C LYS 501 A 1 +ATOM 3816 O O LYS 501 . . A 1 25.049 65.554 49.594 1 21.6 ? O LYS 501 A 1 +ATOM 3817 C CB LYS 501 . . A 1 27.978 66.424 48.693 1 22.57 ? CB LYS 501 A 1 +ATOM 3818 C CG LYS 501 . . A 1 29.489 66.261 48.541 1 27.22 ? CG LYS 501 A 1 +ATOM 3819 C CD LYS 501 . . A 1 29.927 66.053 47.091 1 34.72 ? CD LYS 501 A 1 +ATOM 3820 C CE LYS 501 . . A 1 31.419 66.344 46.895 1 37.58 ? CE LYS 501 A 1 +ATOM 3821 N NZ LYS 501 . . A 1 31.651 67.784 46.932 1 41.05 ? NZ LYS 501 A 1 +ATOM 3822 N N PHE 502 . . A 1 26.03 67.015 51.026 1 19.88 ? N PHE 502 A 1 +ATOM 3823 C CA PHE 502 . . A 1 24.828 67.687 51.502 1 20.61 ? CA PHE 502 A 1 +ATOM 3824 C C PHE 502 . . A 1 25.297 69.03 51.998 1 21.35 ? C PHE 502 A 1 +ATOM 3825 O O PHE 502 . . A 1 26.501 69.257 52.126 1 20.82 ? O PHE 502 A 1 +ATOM 3826 C CB PHE 502 . . A 1 24.091 66.939 52.623 1 20.67 ? CB PHE 502 A 1 +ATOM 3827 C CG PHE 502 . . A 1 24.852 66.899 53.936 1 19.91 ? CG PHE 502 A 1 +ATOM 3828 C CD1 PHE 502 . . A 1 24.654 67.907 54.902 1 19.7 ? CD1 PHE 502 A 1 +ATOM 3829 C CD2 PHE 502 . . A 1 25.717 65.828 54.225 1 18.02 ? CD2 PHE 502 A 1 +ATOM 3830 C CE1 PHE 502 . . A 1 25.28 67.827 56.149 1 16.32 ? CE1 PHE 502 A 1 +ATOM 3831 C CE2 PHE 502 . . A 1 26.338 65.743 55.477 1 16.24 ? CE2 PHE 502 A 1 +ATOM 3832 C CZ PHE 502 . . A 1 26.11 66.737 56.438 1 16.77 ? CZ PHE 502 A 1 +ATOM 3833 N N ILE 503 . . A 1 24.34 69.909 52.303 1 19.7 ? N ILE 503 A 1 +ATOM 3834 C CA ILE 503 . . A 1 24.756 71.214 52.769 1 21.62 ? CA ILE 503 A 1 +ATOM 3835 C C ILE 503 . . A 1 24.054 71.584 54.048 1 23.19 ? C ILE 503 A 1 +ATOM 3836 O O ILE 503 . . A 1 23.018 71.033 54.414 1 26.92 ? O ILE 503 A 1 +ATOM 3837 C CB ILE 503 . . A 1 24.485 72.259 51.67 1 20.67 ? CB ILE 503 A 1 +ATOM 3838 C CG1 ILE 503 . . A 1 23.007 72.413 51.293 1 18.01 ? CG1 ILE 503 A 1 +ATOM 3839 C CG2 ILE 503 . . A 1 25.304 71.926 50.425 1 24.07 ? CG2 ILE 503 A 1 +ATOM 3840 C CD1 ILE 503 . . A 1 22.765 73.733 50.558 1 17.69 ? CD1 ILE 503 A 1 +ATOM 3841 N N ASP 504 . . A 1 24.667 72.543 54.74 1 23.58 ? N ASP 504 A 1 +ATOM 3842 C CA ASP 504 . . A 1 24.075 73.039 55.972 1 24.35 ? CA ASP 504 A 1 +ATOM 3843 C C ASP 504 . . A 1 23.161 74.165 55.53 1 23.37 ? C ASP 504 A 1 +ATOM 3844 O O ASP 504 . . A 1 23.494 74.928 54.633 1 26.8 ? O ASP 504 A 1 +ATOM 3845 C CB ASP 504 . . A 1 25.142 73.603 56.917 1 28.56 ? CB ASP 504 A 1 +ATOM 3846 C CG ASP 504 . . A 1 25.866 72.563 57.755 1 31.28 ? CG ASP 504 A 1 +ATOM 3847 O OD1 ASP 504 . . A 1 25.449 71.404 57.795 1 30.48 ? OD1 ASP 504 A 1 +ATOM 3848 O OD2 ASP 504 . . A 1 26.854 72.935 58.387 1 36.62 ? OD2 ASP 504 A 1 +ATOM 3849 N N LEU 505 . . A 1 22.027 74.291 56.181 1 21.29 ? N LEU 505 A 1 +ATOM 3850 C CA LEU 505 . . A 1 21.099 75.326 55.795 1 19.77 ? CA LEU 505 A 1 +ATOM 3851 C C LEU 505 . . A 1 20.89 76.199 57.017 1 22.78 ? C LEU 505 A 1 +ATOM 3852 O O LEU 505 . . A 1 20.004 75.992 57.834 1 27.15 ? O LEU 505 A 1 +ATOM 3853 C CB LEU 505 . . A 1 19.843 74.574 55.338 1 16 ? CB LEU 505 A 1 +ATOM 3854 C CG LEU 505 . . A 1 19.007 75.26 54.277 1 14.53 ? CG LEU 505 A 1 +ATOM 3855 C CD1 LEU 505 . . A 1 19.803 75.551 52.994 1 11.95 ? CD1 LEU 505 A 1 +ATOM 3856 C CD2 LEU 505 . . A 1 17.796 74.358 53.969 1 13.12 ? CD2 LEU 505 A 1 +ATOM 3857 N N ASN 506 . . A 1 21.768 77.168 57.181 1 22.31 ? N ASN 506 A 1 +ATOM 3858 C CA ASN 506 . . A 1 21.673 78.071 58.314 1 23.56 ? CA ASN 506 A 1 +ATOM 3859 C C ASN 506 . . A 1 22.193 79.378 57.791 1 26.6 ? C ASN 506 A 1 +ATOM 3860 O O ASN 506 . . A 1 22.67 79.422 56.675 1 31.76 ? O ASN 506 A 1 +ATOM 3861 C CB ASN 506 . . A 1 22.439 77.572 59.537 1 21.45 ? CB ASN 506 A 1 +ATOM 3862 C CG ASN 506 . . A 1 23.91 77.47 59.239 1 21.54 ? CG ASN 506 A 1 +ATOM 3863 O OD1 ASN 506 . . A 1 24.511 78.471 58.895 1 15.8 ? OD1 ASN 506 A 1 +ATOM 3864 N ND2 ASN 506 . . A 1 24.483 76.272 59.376 1 18.47 ? ND2 ASN 506 A 1 +ATOM 3865 N N THR 507 . . A 1 22.104 80.426 58.594 1 26.94 ? N THR 507 A 1 +ATOM 3866 C CA THR 507 . . A 1 22.532 81.752 58.159 1 28.8 ? CA THR 507 A 1 +ATOM 3867 C C THR 507 . . A 1 24.014 82.032 57.809 1 31.21 ? C THR 507 A 1 +ATOM 3868 O O THR 507 . . A 1 24.354 83.131 57.382 1 32.73 ? O THR 507 A 1 +ATOM 3869 C CB THR 507 . . A 1 22.051 82.754 59.214 1 29.17 ? CB THR 507 A 1 +ATOM 3870 O OG1 THR 507 . . A 1 22.596 82.406 60.489 1 30.67 ? OG1 THR 507 A 1 +ATOM 3871 C CG2 THR 507 . . A 1 20.523 82.841 59.393 1 27.48 ? CG2 THR 507 A 1 +ATOM 3872 N N GLU 508 . . A 1 24.918 81.088 58.022 1 33.28 ? N GLU 508 A 1 +ATOM 3873 C CA GLU 508 . . A 1 26.312 81.365 57.69 1 37.8 ? CA GLU 508 A 1 +ATOM 3874 C C GLU 508 . . A 1 26.534 81.12 56.192 1 43.12 ? C GLU 508 A 1 +ATOM 3875 O O GLU 508 . . A 1 25.679 80.61 55.477 1 46.45 ? O GLU 508 A 1 +ATOM 3876 C CB GLU 508 . . A 1 27.222 80.495 58.56 1 36.74 ? CB GLU 508 A 1 +ATOM 3877 C CG GLU 508 . . A 1 27.087 80.878 60.03 1 37.93 ? CG GLU 508 A 1 +ATOM 3878 N N PRO 509 . . A 1 27.753 81.462 55.723 1 45.16 ? N PRO 509 A 1 +ATOM 3879 C CA PRO 509 . . A 1 28.326 80.814 54.543 1 45.89 ? CA PRO 509 A 1 +ATOM 3880 C C PRO 509 . . A 1 28.195 79.279 54.48 1 46.4 ? C PRO 509 A 1 +ATOM 3881 O O PRO 509 . . A 1 28.728 78.532 55.291 1 47.25 ? O PRO 509 A 1 +ATOM 3882 C CB PRO 509 . . A 1 29.783 81.285 54.586 1 47.53 ? CB PRO 509 A 1 +ATOM 3883 C CG PRO 509 . . A 1 29.772 82.639 55.328 1 49.06 ? CG PRO 509 A 1 +ATOM 3884 C CD PRO 509 . . A 1 28.515 82.611 56.209 1 47.98 ? CD PRO 509 A 1 +ATOM 3885 N N MET 510 . . A 1 27.466 78.864 53.443 1 45.34 ? N MET 510 A 1 +ATOM 3886 C CA MET 510 . . A 1 27.173 77.47 53.14 1 43.84 ? CA MET 510 A 1 +ATOM 3887 C C MET 510 . . A 1 28.368 76.54 53.244 1 42.69 ? C MET 510 A 1 +ATOM 3888 O O MET 510 . . A 1 29.455 76.849 52.775 1 45.05 ? O MET 510 A 1 +ATOM 3889 C CB MET 510 . . A 1 26.687 77.42 51.678 1 44.66 ? CB MET 510 A 1 +ATOM 3890 C CG MET 510 . . A 1 25.631 76.352 51.383 1 48.03 ? CG MET 510 A 1 +ATOM 3891 S SD MET 510 . . A 1 25.524 76.214 49.574 1 48.04 ? SD MET 510 A 1 +ATOM 3892 C CE MET 510 . . A 1 26.976 75.147 49.315 1 46.5 ? CE MET 510 A 1 +ATOM 3893 N N LYS 511 . . A 1 28.127 75.365 53.813 1 38.25 ? N LYS 511 A 1 +ATOM 3894 C CA LYS 511 . . A 1 29.199 74.402 53.925 1 37.85 ? CA LYS 511 A 1 +ATOM 3895 C C LYS 511 . . A 1 28.612 73.139 53.386 1 36.58 ? C LYS 511 A 1 +ATOM 3896 O O LYS 511 . . A 1 27.443 72.831 53.59 1 41.64 ? O LYS 511 A 1 +ATOM 3897 C CB LYS 511 . . A 1 29.68 74.208 55.364 1 39.61 ? CB LYS 511 A 1 +ATOM 3898 C CG LYS 511 . . A 1 30.365 75.483 55.888 1 45.9 ? CG LYS 511 A 1 +ATOM 3899 N N VAL 512 . . A 1 29.451 72.433 52.668 1 33.4 ? N VAL 512 A 1 +ATOM 3900 C CA VAL 512 . . A 1 29.092 71.186 52.072 1 31.1 ? CA VAL 512 A 1 +ATOM 3901 C C VAL 512 . . A 1 29.763 70.204 52.995 1 31.86 ? C VAL 512 A 1 +ATOM 3902 O O VAL 512 . . A 1 30.877 70.441 53.458 1 35.08 ? O VAL 512 A 1 +ATOM 3903 C CB VAL 512 . . A 1 29.715 71.171 50.663 1 29.54 ? CB VAL 512 A 1 +ATOM 3904 C CG1 VAL 512 . . A 1 29.595 69.803 49.976 1 24.94 ? CG1 VAL 512 A 1 +ATOM 3905 C CG2 VAL 512 . . A 1 29.173 72.324 49.782 1 24.63 ? CG2 VAL 512 A 1 +ATOM 3906 N N HIS 513 . . A 1 29.103 69.099 53.252 1 30.57 ? N HIS 513 A 1 +ATOM 3907 C CA HIS 513 . . A 1 29.684 68.11 54.137 1 28.81 ? CA HIS 513 A 1 +ATOM 3908 C C HIS 513 . . A 1 29.496 66.808 53.442 1 25.76 ? C HIS 513 A 1 +ATOM 3909 O O HIS 513 . . A 1 29.01 66.767 52.325 1 25.49 ? O HIS 513 A 1 +ATOM 3910 C CB HIS 513 . . A 1 28.911 68.108 55.46 1 30.36 ? CB HIS 513 A 1 +ATOM 3911 C CG HIS 513 . . A 1 29.01 69.433 56.177 1 30.18 ? CG HIS 513 A 1 +ATOM 3912 N ND1 HIS 513 . . A 1 29.984 69.762 57.046 1 27.05 ? ND1 HIS 513 A 1 +ATOM 3913 C CD2 HIS 513 . . A 1 28.12 70.531 56.077 1 30.29 ? CD2 HIS 513 A 1 +ATOM 3914 C CE1 HIS 513 . . A 1 29.71 71.006 57.465 1 29.04 ? CE1 HIS 513 A 1 +ATOM 3915 N NE2 HIS 513 . . A 1 28.595 71.488 56.893 1 27.19 ? NE2 HIS 513 A 1 +ATOM 3916 N N GLN 514 . . A 1 29.878 65.729 54.107 1 26.12 ? N GLN 514 A 1 +ATOM 3917 C CA GLN 514 . . A 1 29.7 64.446 53.466 1 28.73 ? CA GLN 514 A 1 +ATOM 3918 C C GLN 514 . . A 1 29.154 63.479 54.488 1 26.2 ? C GLN 514 A 1 +ATOM 3919 O O GLN 514 . . A 1 29.258 63.668 55.688 1 28.26 ? O GLN 514 A 1 +ATOM 3920 C CB GLN 514 . . A 1 31.047 63.886 52.982 1 34.39 ? CB GLN 514 A 1 +ATOM 3921 C CG GLN 514 . . A 1 31.757 64.771 51.948 1 43.27 ? CG GLN 514 A 1 +ATOM 3922 C CD GLN 514 . . A 1 32.749 63.918 51.176 1 50.37 ? CD GLN 514 A 1 +ATOM 3923 O OE1 GLN 514 . . A 1 32.742 63.829 49.961 1 54.52 ? OE1 GLN 514 A 1 +ATOM 3924 N NE2 GLN 514 . . A 1 33.595 63.232 51.934 1 54.93 ? NE2 GLN 514 A 1 +ATOM 3925 N N ARG 515 . . A 1 28.572 62.43 53.95 1 22.03 ? N ARG 515 A 1 +ATOM 3926 C CA ARG 515 . . A 1 28.017 61.34 54.718 1 25.43 ? CA ARG 515 A 1 +ATOM 3927 C C ARG 515 . . A 1 27.241 61.698 55.989 1 26.46 ? C ARG 515 A 1 +ATOM 3928 O O ARG 515 . . A 1 27.659 61.338 57.085 1 28.69 ? O ARG 515 A 1 +ATOM 3929 C CB ARG 515 . . A 1 29.141 60.36 55.035 1 22.7 ? CB ARG 515 A 1 +ATOM 3930 C CG ARG 515 . . A 1 30.029 60.068 53.829 1 28.79 ? CG ARG 515 A 1 +ATOM 3931 C CD ARG 515 . . A 1 30.769 58.73 53.914 1 32.56 ? CD ARG 515 A 1 +ATOM 3932 N NE ARG 515 . . A 1 31.746 58.638 52.841 1 36.56 ? NE ARG 515 A 1 +ATOM 3933 N N LEU 516 . . A 1 26.088 62.384 55.818 1 26.31 ? N LEU 516 A 1 +ATOM 3934 C CA LEU 516 . . A 1 25.24 62.77 56.973 1 23.29 ? CA LEU 516 A 1 +ATOM 3935 C C LEU 516 . . A 1 25.011 61.575 57.903 1 23.73 ? C LEU 516 A 1 +ATOM 3936 O O LEU 516 . . A 1 24.396 60.585 57.519 1 27.68 ? O LEU 516 A 1 +ATOM 3937 C CB LEU 516 . . A 1 23.86 63.311 56.494 1 18.5 ? CB LEU 516 A 1 +ATOM 3938 C CG LEU 516 . . A 1 22.863 63.749 57.589 1 14.83 ? CG LEU 516 A 1 +ATOM 3939 C CD1 LEU 516 . . A 1 23.39 64.914 58.426 1 12.67 ? CD1 LEU 516 A 1 +ATOM 3940 C CD2 LEU 516 . . A 1 21.511 64.142 56.982 1 13.11 ? CD2 LEU 516 A 1 +ATOM 3941 N N ARG 517 . . A 1 25.558 61.711 59.122 1 20.27 ? N ARG 517 A 1 +ATOM 3942 C CA ARG 517 . . A 1 25.469 60.716 60.191 1 17.84 ? CA ARG 517 A 1 +ATOM 3943 C C ARG 517 . . A 1 25.761 59.285 59.806 1 15.26 ? C ARG 517 A 1 +ATOM 3944 O O ARG 517 . . A 1 24.978 58.42 60.175 1 16.45 ? O ARG 517 A 1 +ATOM 3945 C CB ARG 517 . . A 1 24.117 60.794 60.935 1 19.67 ? CB ARG 517 A 1 +ATOM 3946 C CG ARG 517 . . A 1 23.89 62.214 61.487 1 30.15 ? CG ARG 517 A 1 +ATOM 3947 C CD ARG 517 . . A 1 22.794 62.298 62.55 1 36.82 ? CD ARG 517 A 1 +ATOM 3948 N NE ARG 517 . . A 1 23.183 61.635 63.783 1 41.57 ? NE ARG 517 A 1 +ATOM 3949 C CZ ARG 517 . . A 1 23.891 62.251 64.733 1 43.2 ? CZ ARG 517 A 1 +ATOM 3950 N NH1 ARG 517 . . A 1 24.358 63.482 64.526 1 47.32 ? NH1 ARG 517 A 1 +ATOM 3951 N NH2 ARG 517 . . A 1 24.121 61.624 65.89 1 42.62 ? NH2 ARG 517 A 1 +ATOM 3952 N N VAL 518 . . A 1 26.889 59.019 59.127 1 13.18 ? N VAL 518 A 1 +ATOM 3953 C CA VAL 518 . . A 1 27.135 57.612 58.778 1 17.36 ? CA VAL 518 A 1 +ATOM 3954 C C VAL 518 . . A 1 27.213 56.664 59.963 1 18.52 ? C VAL 518 A 1 +ATOM 3955 O O VAL 518 . . A 1 26.413 55.754 60.096 1 14.69 ? O VAL 518 A 1 +ATOM 3956 C CB VAL 518 . . A 1 28.401 57.398 57.912 1 18.87 ? CB VAL 518 A 1 +ATOM 3957 C CG1 VAL 518 . . A 1 27.97 57.12 56.474 1 28.46 ? CG1 VAL 518 A 1 +ATOM 3958 C CG2 VAL 518 . . A 1 29.428 58.554 57.996 1 21.55 ? CG2 VAL 518 A 1 +ATOM 3959 N N GLN 519 . . A 1 28.214 56.902 60.832 1 22.65 ? N GLN 519 A 1 +ATOM 3960 C CA GLN 519 . . A 1 28.449 56.063 62.017 1 24.45 ? CA GLN 519 A 1 +ATOM 3961 C C GLN 519 . . A 1 27.175 55.603 62.702 1 22.52 ? C GLN 519 A 1 +ATOM 3962 O O GLN 519 . . A 1 26.929 54.421 62.883 1 24 ? O GLN 519 A 1 +ATOM 3963 C CB GLN 519 . . A 1 29.347 56.8 63.032 1 32.94 ? CB GLN 519 A 1 +ATOM 3964 C CG GLN 519 . . A 1 30.815 57.005 62.565 1 45.37 ? CG GLN 519 A 1 +ATOM 3965 C CD GLN 519 . . A 1 31.899 56.076 63.138 1 53.76 ? CD GLN 519 A 1 +ATOM 3966 O OE1 GLN 519 . . A 1 32.995 56.074 62.6 1 55.27 ? OE1 GLN 519 A 1 +ATOM 3967 N NE2 GLN 519 . . A 1 31.604 55.292 64.188 1 57.01 ? NE2 GLN 519 A 1 +ATOM 3968 N N MET 520 . . A 1 26.362 56.589 63.069 1 18.13 ? N MET 520 A 1 +ATOM 3969 C CA MET 520 . . A 1 25.139 56.218 63.731 1 17.36 ? CA MET 520 A 1 +ATOM 3970 C C MET 520 . . A 1 24.192 55.493 62.79 1 17.54 ? C MET 520 A 1 +ATOM 3971 O O MET 520 . . A 1 23.574 54.475 63.097 1 20.36 ? O MET 520 A 1 +ATOM 3972 C CB MET 520 . . A 1 24.492 57.463 64.356 1 21.26 ? CB MET 520 A 1 +ATOM 3973 C CG MET 520 . . A 1 25.296 58.011 65.558 1 29.41 ? CG MET 520 A 1 +ATOM 3974 S SD MET 520 . . A 1 25.354 56.747 66.907 1 39.85 ? SD MET 520 A 1 +ATOM 3975 C CE MET 520 . . A 1 27.122 56.322 67.005 1 34.92 ? CE MET 520 A 1 +ATOM 3976 N N CYS 521 . . A 1 24.081 56.023 61.579 1 17.21 ? N CYS 521 A 1 +ATOM 3977 C CA CYS 521 . . A 1 23.154 55.371 60.677 1 14 ? CA CYS 521 A 1 +ATOM 3978 C C CYS 521 . . A 1 23.529 53.95 60.292 1 16.98 ? C CYS 521 A 1 +ATOM 3979 O O CYS 521 . . A 1 22.612 53.181 60.031 1 17.51 ? O CYS 521 A 1 +ATOM 3980 C CB CYS 521 . . A 1 22.786 56.281 59.529 1 8.52 ? CB CYS 521 A 1 +ATOM 3981 S SG CYS 521 . . A 1 21.751 57.655 60.125 1 16.59 ? SG CYS 521 A 1 +ATOM 3982 N N VAL 522 . . A 1 24.819 53.545 60.268 1 17.4 ? N VAL 522 A 1 +ATOM 3983 C CA VAL 522 . . A 1 25.074 52.145 59.913 1 18.14 ? CA VAL 522 A 1 +ATOM 3984 C C VAL 522 . . A 1 24.569 51.258 61.053 1 19.65 ? C VAL 522 A 1 +ATOM 3985 O O VAL 522 . . A 1 24.107 50.131 60.864 1 20.84 ? O VAL 522 A 1 +ATOM 3986 C CB VAL 522 . . A 1 26.535 51.858 59.422 1 18.71 ? CB VAL 522 A 1 +ATOM 3987 C CG1 VAL 522 . . A 1 27.443 53.092 59.3 1 18.1 ? CG1 VAL 522 A 1 +ATOM 3988 C CG2 VAL 522 . . A 1 27.275 50.71 60.133 1 19.79 ? CG2 VAL 522 A 1 +ATOM 3989 N N PHE 523 . . A 1 24.641 51.823 62.273 1 17.39 ? N PHE 523 A 1 +ATOM 3990 C CA PHE 523 . . A 1 24.176 51.083 63.433 1 9.03 ? CA PHE 523 A 1 +ATOM 3991 C C PHE 523 . . A 1 22.695 50.785 63.259 1 8.45 ? C PHE 523 A 1 +ATOM 3992 O O PHE 523 . . A 1 22.258 49.643 63.346 1 3.41 ? O PHE 523 A 1 +ATOM 3993 C CB PHE 523 . . A 1 24.518 51.825 64.769 1 7.45 ? CB PHE 523 A 1 +ATOM 3994 C CG PHE 523 . . A 1 23.72 51.305 65.945 1 5.37 ? CG PHE 523 A 1 +ATOM 3995 C CD1 PHE 523 . . A 1 24.035 50.067 66.541 1 6.23 ? CD1 PHE 523 A 1 +ATOM 3996 C CD2 PHE 523 . . A 1 22.576 52.001 66.37 1 3.83 ? CD2 PHE 523 A 1 +ATOM 3997 C CE1 PHE 523 . . A 1 23.19 49.508 67.508 1 2 ? CE1 PHE 523 A 1 +ATOM 3998 C CE2 PHE 523 . . A 1 21.724 51.438 67.331 1 7.44 ? CE2 PHE 523 A 1 +ATOM 3999 C CZ PHE 523 . . A 1 22.026 50.187 67.892 1 6.72 ? CZ PHE 523 A 1 +ATOM 4000 N N TRP 524 . . A 1 21.937 51.834 62.952 1 7.86 ? N TRP 524 A 1 +ATOM 4001 C CA TRP 524 . . A 1 20.5 51.585 62.835 1 11.1 ? CA TRP 524 A 1 +ATOM 4002 C C TRP 524 . . A 1 20.04 50.879 61.586 1 15.89 ? C TRP 524 A 1 +ATOM 4003 O O TRP 524 . . A 1 19.126 50.063 61.596 1 17.8 ? O TRP 524 A 1 +ATOM 4004 C CB TRP 524 . . A 1 19.715 52.895 62.845 1 12.61 ? CB TRP 524 A 1 +ATOM 4005 C CG TRP 524 . . A 1 19.798 53.607 64.177 1 15.47 ? CG TRP 524 A 1 +ATOM 4006 C CD1 TRP 524 . . A 1 20.569 54.758 64.435 1 15.71 ? CD1 TRP 524 A 1 +ATOM 4007 C CD2 TRP 524 . . A 1 19.075 53.306 65.356 1 18.98 ? CD2 TRP 524 A 1 +ATOM 4008 N NE1 TRP 524 . . A 1 20.342 55.184 65.697 1 20.24 ? NE1 TRP 524 A 1 +ATOM 4009 C CE2 TRP 524 . . A 1 19.442 54.362 66.316 1 19.98 ? CE2 TRP 524 A 1 +ATOM 4010 C CE3 TRP 524 . . A 1 18.15 52.319 65.742 1 19.46 ? CE3 TRP 524 A 1 +ATOM 4011 C CZ2 TRP 524 . . A 1 18.834 54.384 67.573 1 19.02 ? CZ2 TRP 524 A 1 +ATOM 4012 C CZ3 TRP 524 . . A 1 17.566 52.368 67.018 1 17.22 ? CZ3 TRP 524 A 1 +ATOM 4013 C CH2 TRP 524 . . A 1 17.898 53.396 67.915 1 18.94 ? CH2 TRP 524 A 1 +ATOM 4014 N N ASN 525 . . A 1 20.692 51.232 60.494 1 17.1 ? N ASN 525 A 1 +ATOM 4015 C CA ASN 525 . . A 1 20.282 50.645 59.219 1 16.79 ? CA ASN 525 A 1 +ATOM 4016 C C ASN 525 . . A 1 20.845 49.277 58.944 1 14.42 ? C ASN 525 A 1 +ATOM 4017 O O ASN 525 . . A 1 20.261 48.52 58.189 1 16.93 ? O ASN 525 A 1 +ATOM 4018 C CB ASN 525 . . A 1 20.606 51.587 58.051 1 17.2 ? CB ASN 525 A 1 +ATOM 4019 C CG ASN 525 . . A 1 19.745 52.837 58.125 1 18.04 ? CG ASN 525 A 1 +ATOM 4020 O OD1 ASN 525 . . A 1 18.776 52.946 58.867 1 21.34 ? OD1 ASN 525 A 1 +ATOM 4021 N ND2 ASN 525 . . A 1 20.136 53.832 57.342 1 14.58 ? ND2 ASN 525 A 1 +ATOM 4022 N N GLN 526 . . A 1 21.976 48.93 59.546 1 12.51 ? N GLN 526 A 1 +ATOM 4023 C CA GLN 526 . . A 1 22.513 47.607 59.243 1 14.28 ? CA GLN 526 A 1 +ATOM 4024 C C GLN 526 . . A 1 22.716 46.736 60.47 1 16.98 ? C GLN 526 A 1 +ATOM 4025 O O GLN 526 . . A 1 22.32 45.578 60.494 1 19.08 ? O GLN 526 A 1 +ATOM 4026 C CB GLN 526 . . A 1 23.829 47.745 58.438 1 13.48 ? CB GLN 526 A 1 +ATOM 4027 C CG GLN 526 . . A 1 23.65 48.678 57.207 1 17.9 ? CG GLN 526 A 1 +ATOM 4028 N N PHE 527 . . A 1 23.318 47.297 61.527 1 16.07 ? N PHE 527 A 1 +ATOM 4029 C CA PHE 527 . . A 1 23.563 46.421 62.686 1 16.54 ? CA PHE 527 A 1 +ATOM 4030 C C PHE 527 . . A 1 22.332 46.007 63.488 1 16.59 ? C PHE 527 A 1 +ATOM 4031 O O PHE 527 . . A 1 22.007 44.828 63.604 1 13.61 ? O PHE 527 A 1 +ATOM 4032 C CB PHE 527 . . A 1 24.655 47.012 63.596 1 14.68 ? CB PHE 527 A 1 +ATOM 4033 C CG PHE 527 . . A 1 25.076 46.046 64.677 1 10.73 ? CG PHE 527 A 1 +ATOM 4034 C CD1 PHE 527 . . A 1 25.852 44.917 64.363 1 11.88 ? CD1 PHE 527 A 1 +ATOM 4035 C CD2 PHE 527 . . A 1 24.671 46.263 66.008 1 12.72 ? CD2 PHE 527 A 1 +ATOM 4036 C CE1 PHE 527 . . A 1 26.214 44.004 65.365 1 13.01 ? CE1 PHE 527 A 1 +ATOM 4037 C CE2 PHE 527 . . A 1 25.025 45.356 67.012 1 8.78 ? CE2 PHE 527 A 1 +ATOM 4038 C CZ PHE 527 . . A 1 25.794 44.223 66.689 1 12.29 ? CZ PHE 527 A 1 +ATOM 4039 N N LEU 528 . . A 1 21.662 47.022 64.063 1 16.71 ? N LEU 528 A 1 +ATOM 4040 C CA LEU 528 . . A 1 20.475 46.833 64.892 1 14.7 ? CA LEU 528 A 1 +ATOM 4041 C C LEU 528 . . A 1 19.553 45.799 64.305 1 18.13 ? C LEU 528 A 1 +ATOM 4042 O O LEU 528 . . A 1 19.262 44.812 64.965 1 20.42 ? O LEU 528 A 1 +ATOM 4043 C CB LEU 528 . . A 1 19.785 48.171 65.282 1 15.48 ? CB LEU 528 A 1 +ATOM 4044 C CG LEU 528 . . A 1 18.899 48.182 66.562 1 17.15 ? CG LEU 528 A 1 +ATOM 4045 C CD1 LEU 528 . . A 1 17.433 47.902 66.268 1 17.51 ? CD1 LEU 528 A 1 +ATOM 4046 C CD2 LEU 528 . . A 1 19.384 47.234 67.68 1 22.24 ? CD2 LEU 528 A 1 +ATOM 4047 N N PRO 529 . . A 1 19.117 45.982 63.041 1 21.47 ? N PRO 529 A 1 +ATOM 4048 C CA PRO 529 . . A 1 18.174 45.038 62.469 1 19.45 ? CA PRO 529 A 1 +ATOM 4049 C C PRO 529 . . A 1 18.692 43.611 62.49 1 19.92 ? C PRO 529 A 1 +ATOM 4050 O O PRO 529 . . A 1 17.931 42.702 62.791 1 22.84 ? O PRO 529 A 1 +ATOM 4051 C CB PRO 529 . . A 1 17.891 45.584 61.059 1 20.48 ? CB PRO 529 A 1 +ATOM 4052 C CG PRO 529 . . A 1 18.428 47.033 61.03 1 22.9 ? CG PRO 529 A 1 +ATOM 4053 C CD PRO 529 . . A 1 19.505 47.054 62.112 1 24.83 ? CD PRO 529 A 1 +ATOM 4054 N N LYS 530 . . A 1 19.993 43.418 62.184 1 20.19 ? N LYS 530 A 1 +ATOM 4055 C CA LYS 530 . . A 1 20.52 42.043 62.197 1 21.49 ? CA LYS 530 A 1 +ATOM 4056 C C LYS 530 . . A 1 20.456 41.436 63.567 1 22.31 ? C LYS 530 A 1 +ATOM 4057 O O LYS 530 . . A 1 20.13 40.275 63.761 1 21.11 ? O LYS 530 A 1 +ATOM 4058 C CB LYS 530 . . A 1 22.023 41.919 61.863 1 24.91 ? CB LYS 530 A 1 +ATOM 4059 C CG LYS 530 . . A 1 22.412 42.144 60.399 1 33.7 ? CG LYS 530 A 1 +ATOM 4060 C CD LYS 530 . . A 1 23.846 41.645 60.116 1 35.91 ? CD LYS 530 A 1 +ATOM 4061 C CE LYS 530 . . A 1 23.982 40.107 60.198 1 38.83 ? CE LYS 530 A 1 +ATOM 4062 N NZ LYS 530 . . A 1 25.241 39.667 59.617 1 41.88 ? NZ LYS 530 A 1 +ATOM 4063 N N LEU 531 . . A 1 20.847 42.28 64.517 1 22.3 ? N LEU 531 A 1 +ATOM 4064 C CA LEU 531 . . A 1 20.876 41.865 65.898 1 18.46 ? CA LEU 531 A 1 +ATOM 4065 C C LEU 531 . . A 1 19.522 41.358 66.294 1 17.79 ? C LEU 531 A 1 +ATOM 4066 O O LEU 531 . . A 1 19.353 40.208 66.678 1 16.65 ? O LEU 531 A 1 +ATOM 4067 C CB LEU 531 . . A 1 21.411 43.01 66.772 1 17.72 ? CB LEU 531 A 1 +ATOM 4068 C CG LEU 531 . . A 1 21.552 42.671 68.27 1 15.86 ? CG LEU 531 A 1 +ATOM 4069 C CD1 LEU 531 . . A 1 22.744 43.392 68.889 1 16.38 ? CD1 LEU 531 A 1 +ATOM 4070 C CD2 LEU 531 . . A 1 20.288 43.038 69.055 1 16.82 ? CD2 LEU 531 A 1 +ATOM 4071 N N LEU 532 . . A 1 18.546 42.244 66.105 1 15.97 ? N LEU 532 A 1 +ATOM 4072 C CA LEU 532 . . A 1 17.185 41.887 66.469 1 20.58 ? CA LEU 532 A 1 +ATOM 4073 C C LEU 532 . . A 1 16.678 40.657 65.76 1 24 ? C LEU 532 A 1 +ATOM 4074 O O LEU 532 . . A 1 15.829 39.963 66.296 1 29.22 ? O LEU 532 A 1 +ATOM 4075 C CB LEU 532 . . A 1 16.181 43.042 66.267 1 15.9 ? CB LEU 532 A 1 +ATOM 4076 C CG LEU 532 . . A 1 16.396 44.267 67.183 1 18.48 ? CG LEU 532 A 1 +ATOM 4077 C CD1 LEU 532 . . A 1 15.331 45.338 66.923 1 16.5 ? CD1 LEU 532 A 1 +ATOM 4078 C CD2 LEU 532 . . A 1 16.394 43.907 68.686 1 17.77 ? CD2 LEU 532 A 1 +ATOM 4079 N N ASN 533 . . A 1 17.185 40.405 64.549 1 27.83 ? N ASN 533 A 1 +ATOM 4080 C CA ASN 533 . . A 1 16.745 39.236 63.789 1 28.48 ? CA ASN 533 A 1 +ATOM 4081 C C ASN 533 . . A 1 17.405 37.945 64.224 1 30.57 ? C ASN 533 A 1 +ATOM 4082 O O ASN 533 . . A 1 16.837 36.864 64.159 1 29.7 ? O ASN 533 A 1 +ATOM 4083 C CB ASN 533 . . A 1 17.09 39.419 62.312 1 26.73 ? CB ASN 533 A 1 +ATOM 4084 N N ALA 534 . . A 1 18.662 38.069 64.651 1 32.89 ? N ALA 534 A 1 +ATOM 4085 C CA ALA 534 . . A 1 19.349 36.857 65.054 1 36.26 ? CA ALA 534 A 1 +ATOM 4086 C C ALA 534 . . A 1 18.814 36.337 66.354 1 42.3 ? C ALA 534 A 1 +ATOM 4087 O O ALA 534 . . A 1 18.765 35.133 66.595 1 44.56 ? O ALA 534 A 1 +ATOM 4088 C CB ALA 534 . . A 1 20.852 37.072 65.222 1 32.57 ? CB ALA 534 A 1 +ATOM 4089 N N THR 535 . . A 1 18.484 37.298 67.215 1 47.29 ? N THR 535 A 1 +ATOM 4090 C CA THR 535 . . A 1 17.953 36.96 68.511 1 51.46 ? CA THR 535 A 1 +ATOM 4091 C C THR 535 . . A 1 16.502 36.487 68.376 1 53.1 ? C THR 535 A 1 +ATOM 4092 O O THR 535 . . A 1 15.627 37.055 69.04 1 57.37 ? O THR 535 A 1 +ATOM 4093 C CB THR 535 . . A 1 18.06 38.196 69.422 1 53.08 ? CB THR 535 A 1 +ATOM 4094 O OG1 THR 535 . . A 1 19.279 38.91 69.244 1 52.38 ? OG1 THR 535 A 1 +ATOM 4095 C CG2 THR 535 . . A 1 18.026 37.829 70.916 1 59.93 ? CG2 THR 535 A 1 +HETATM 4096 C C1 THA . . . B 2 6.362 71.261 69.025 1 22.38 ? C1 THA 999 A 1 +HETATM 4097 C C2 THA . . . B 2 6.697 70.955 67.712 1 25.41 ? C2 THA 999 A 1 +HETATM 4098 C C3 THA . . . B 2 5.719 70.518 66.819 1 24.66 ? C3 THA 999 A 1 +HETATM 4099 C C4 THA . . . B 2 4.351 70.381 67.26 1 21.7 ? C4 THA 999 A 1 +HETATM 4100 C C5 THA . . . B 2 4.056 70.702 68.603 1 20.76 ? C5 THA 999 A 1 +HETATM 4101 C C6 THA . . . B 2 5.053 71.136 69.468 1 18.93 ? C6 THA 999 A 1 +HETATM 4102 N N7 THA . . . B 2 6.068 70.236 65.585 1 21.62 ? N7 THA 999 A 1 +HETATM 4103 C C8 THA . . . B 2 5.207 69.821 64.683 1 20.49 ? C8 THA 999 A 1 +HETATM 4104 C C9 THA . . . B 2 3.833 69.634 64.995 1 19.83 ? C9 THA 999 A 1 +HETATM 4105 C C10 THA . . . B 2 3.396 69.933 66.309 1 17.75 ? C10 THA 999 A 1 +HETATM 4106 C C11 THA . . . B 2 5.776 69.459 63.289 1 18.3 ? C11 THA 999 A 1 +HETATM 4107 C C12 THA . . . B 2 4.736 69.363 62.145 1 20.27 ? C12 THA 999 A 1 +HETATM 4108 C C13 THA . . . B 2 3.515 68.54 62.597 1 19.36 ? C13 THA 999 A 1 +HETATM 4109 C C14 THA . . . B 2 2.86 69.177 63.848 1 21.42 ? C14 THA 999 A 1 +HETATM 4110 N N15 THA . . . B 2 2.092 69.798 66.625 1 20.69 ? N15 THA 999 A 1 +HETATM 4111 O O HOH . . . C 3 21.436 52.967 54.67 1 16.26 ? O HOH 601 A 1 +HETATM 4112 O O HOH . . . C 3 -9.713 62.939 60.08 1 9.25 ? O HOH 602 A 1 +HETATM 4113 O O HOH . . . C 3 24.198 67.851 85.549 1 70.2 ? O HOH 603 A 1 +HETATM 4114 O O HOH . . . C 3 3.897 69.768 58.109 1 2 ? O HOH 604 A 1 +HETATM 4115 O O HOH . . . C 3 -1.728 70.694 53.271 1 6.67 ? O HOH 605 A 1 +HETATM 4116 O O HOH . . . C 3 -14.301 59.527 57.034 1 6.46 ? O HOH 606 A 1 +HETATM 4117 O O HOH . . . C 3 -2.078 69.35 67.406 1 12.08 ? O HOH 607 A 1 +HETATM 4118 O O HOH . . . C 3 -6.865 62.657 65.578 1 12.95 ? O HOH 608 A 1 +HETATM 4119 O O HOH . . . C 3 0.027 70.297 60.632 1 6.46 ? O HOH 609 A 1 +HETATM 4120 O O HOH . . . C 3 -3.893 52.228 41.33 1 39.68 ? O HOH 610 A 1 +HETATM 4121 O O HOH . . . C 3 7.233 80.005 68.092 1 36.26 ? O HOH 611 A 1 +HETATM 4122 O O HOH . . . C 3 24.646 60.791 40.027 1 18.08 ? O HOH 612 A 1 +HETATM 4123 O O HOH . . . C 3 21.313 59.198 38.314 1 36.84 ? O HOH 613 A 1 +HETATM 4124 O O HOH . . . C 3 -0.421 64.062 59.32 1 12.5 ? O HOH 614 A 1 +HETATM 4125 O O HOH . . . C 3 0.001 83.914 58.002 1 43.23 ? O HOH 615 A 1 +HETATM 4126 O O HOH . . . C 3 -0.46 66.877 69.033 1 36.24 ? O HOH 616 A 1 +HETATM 4127 O O HOH . . . C 3 2.101 41.668 61.98 1 40.25 ? O HOH 617 A 1 +HETATM 4128 O O HOH . . . C 3 10.934 56.303 68.662 1 12.08 ? O HOH 618 A 1 +HETATM 4129 O O HOH . . . C 3 2.682 81.87 62.939 1 32.61 ? O HOH 619 A 1 +HETATM 4130 O O HOH . . . C 3 3.3 53.939 63.596 1 18.53 ? O HOH 620 A 1 +HETATM 4131 O O HOH . . . C 3 10.421 48.537 38.102 1 64.57 ? O HOH 621 A 1 +HETATM 4132 O O HOH . . . C 3 18.266 72.459 85.879 1 58.97 ? O HOH 622 A 1 +HETATM 4133 O O HOH . . . C 3 -1.187 96.318 44.308 1 54.71 ? O HOH 623 A 1 +HETATM 4134 O O HOH . . . C 3 10.416 69.328 59.826 1 5.83 ? O HOH 624 A 1 +HETATM 4135 O O HOH . . . C 3 -12.114 68.571 37.502 1 32.99 ? O HOH 625 A 1 +HETATM 4136 O O HOH . . . C 3 -6.304 61.451 71.954 1 42.24 ? O HOH 626 A 1 +HETATM 4137 O O HOH . . . C 3 -6.447 50.296 61.416 1 10.24 ? O HOH 627 A 1 +HETATM 4138 O O HOH . . . C 3 2.152 63.062 72.71 1 61.59 ? O HOH 628 A 1 +HETATM 4139 O O HOH . . . C 3 31.963 66.709 56.534 1 16.65 ? O HOH 629 A 1 +HETATM 4140 O O HOH . . . C 3 9.379 58.011 85.633 1 44.47 ? O HOH 630 A 1 +HETATM 4141 O O HOH . . . C 3 -7.92 58.968 44.298 1 42.11 ? O HOH 631 A 1 +HETATM 4142 O O HOH . . . C 3 9.288 57.159 35.791 1 36.44 ? O HOH 632 A 1 +HETATM 4143 O O HOH . . . C 3 -3.902 51.644 60.543 1 9.44 ? O HOH 633 A 1 +HETATM 4144 O O HOH . . . C 3 -0.179 69.329 64.529 1 24.06 ? O HOH 634 A 1 +HETATM 4145 O O HOH . . . C 3 12.302 66.886 33.785 1 33.25 ? O HOH 635 A 1 +HETATM 4146 O O HOH . . . C 3 -0.829 58.797 69.112 1 22.6 ? O HOH 636 A 1 +HETATM 4147 O O HOH . . . C 3 5.229 58.019 35.824 1 20.86 ? O HOH 637 A 1 +HETATM 4148 O O HOH . . . C 3 6.341 81.499 64.81 1 23.9 ? O HOH 638 A 1 +HETATM 4149 O O HOH . . . C 3 -12.258 64.448 59.54 1 42.34 ? O HOH 639 A 1 +HETATM 4150 O O HOH . . . C 3 7.609 52.533 56.827 1 30.17 ? O HOH 640 A 1 +HETATM 4151 O O HOH . . . C 3 24.358 57.909 56.015 1 36.95 ? O HOH 641 A 1 +HETATM 4152 O O HOH . . . C 3 5.862 63.777 80.088 1 61.65 ? O HOH 642 A 1 +HETATM 4153 O O HOH . . . C 3 0.529 71.248 68.951 1 20.34 ? O HOH 643 A 1 +HETATM 4154 O O HOH . . . C 3 11.37 63.907 35.699 1 19.83 ? O HOH 644 A 1 +HETATM 4155 O O HOH . . . C 3 2.328 91.164 54.939 1 13.04 ? O HOH 645 A 1 +HETATM 4156 O O HOH . . . C 3 -15.401 67.703 52.231 1 24.77 ? O HOH 646 A 1 +HETATM 4157 O O HOH . . . C 3 -2.176 79.106 62.623 1 32.03 ? O HOH 647 A 1 +HETATM 4158 O O HOH . . . C 3 25.329 55.453 53.425 1 40.01 ? O HOH 648 A 1 +HETATM 4159 O O HOH . . . C 3 25.021 64.798 35.997 1 30.72 ? O HOH 649 A 1 +HETATM 4160 O O HOH . . . C 3 13.669 47.295 59.66 1 45.32 ? O HOH 650 A 1 +HETATM 4161 O O HOH . . . C 3 -13.244 50.312 44.199 1 54.67 ? O HOH 651 A 1 +HETATM 4162 O O HOH . . . C 3 3.242 83.352 32.284 1 34.21 ? O HOH 652 A 1 +HETATM 4163 O O HOH . . . C 3 -5.381 58.887 37.832 1 40.03 ? O HOH 653 A 1 +HETATM 4164 O O HOH . . . C 3 12.644 49.806 33.065 1 51.32 ? O HOH 654 A 1 +HETATM 4165 O O HOH . . . C 3 7.81 76.268 61.395 1 50.53 ? O HOH 655 A 1 +HETATM 4166 O O HOH . . . C 3 -0.969 59.532 33.421 1 25.89 ? O HOH 656 A 1 +HETATM 4167 O O HOH . . . C 3 -14.849 67.281 39.525 1 42.11 ? O HOH 657 A 1 +HETATM 4168 O O HOH . . . C 3 -18.694 86.088 50.675 1 47.8 ? O HOH 658 A 1 +HETATM 4169 O O HOH . . . C 3 -15.52 83.163 31.58 1 47.06 ? O HOH 659 A 1 +HETATM 4170 O O HOH . . . C 3 21.328 50.999 53.078 1 17.17 ? O HOH 660 A 1 +HETATM 4171 O O HOH . . . C 3 18.419 92.769 62.731 1 36.34 ? O HOH 661 A 1 +HETATM 4172 O O HOH . . . C 3 29.951 58.597 85.155 1 72.74 ? O HOH 662 A 1 +HETATM 4173 O O HOH . . . C 3 20.915 62.497 36.857 1 27.46 ? O HOH 663 A 1 +HETATM 4174 O O HOH . . . C 3 23.889 59.314 35.821 1 40.76 ? O HOH 664 A 1 +HETATM 4175 O O HOH . . . C 3 -0.387 90.815 55.611 1 41.4 ? O HOH 665 A 1 +HETATM 4176 O O HOH . . . C 3 4.85 58.304 76.42 1 53.69 ? O HOH 666 A 1 +HETATM 4177 O O HOH . . . C 3 19.66 62.741 32.748 1 83.14 ? O HOH 667 A 1 +HETATM 4178 O O HOH . . . C 3 -19.347 84.392 54.165 1 37.79 ? O HOH 668 A 1 +HETATM 4179 O O HOH . . . C 3 11.705 50.605 81.909 1 43.68 ? O HOH 669 A 1 +HETATM 4180 O O HOH . . . C 3 13.043 77.224 85.64 1 50.32 ? O HOH 670 A 1 +HETATM 4181 O O HOH . . . C 3 32.987 69.879 57.554 1 28.33 ? O HOH 671 A 1 +HETATM 4182 O O HOH . . . C 3 22.971 53.558 52.37 1 84.49 ? O HOH 672 A 1 +HETATM 4183 O O HOH . . . C 3 15.23 62.617 89.723 1 55.09 ? O HOH 673 A 1 +HETATM 4184 O O HOH . . . C 3 8.378 94.303 47.727 1 56.64 ? O HOH 674 A 1 +HETATM 4185 O O HOH . . . C 3 -21.202 67.831 58.722 1 68.4 ? O HOH 675 A 1 +HETATM 4186 O O HOH . . . C 3 -11.439 84.351 57.579 1 46.3 ? O HOH 676 A 1 +HETATM 4187 O O HOH . . . C 3 16.299 59.93 32.317 1 40.67 ? O HOH 677 A 1 +HETATM 4188 O O HOH . . . C 3 3.879 46.681 60.148 1 67.54 ? O HOH 678 A 1 +HETATM 4189 O O HOH . . . C 3 17.253 64.097 87.165 1 52.19 ? O HOH 679 A 1 +HETATM 4190 O O HOH . . . C 3 19.551 31.826 68.006 1 39.5 ? O HOH 680 A 1 +HETATM 4191 O O HOH . . . C 3 23.095 67.354 48.33 1 12.96 ? O HOH 681 A 1 +HETATM 4192 O O HOH . . . C 3 -13.326 47.816 47.354 1 46.29 ? O HOH 682 A 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ASP 1 1 . . . A . n +A 1 2 ASP 2 2 . . . A . n +A 1 3 HIS 3 3 . . . A . n +A 1 4 SER 4 4 4 SER SER A . n +A 1 5 GLU 5 5 5 GLU GLU A . n +A 1 6 LEU 6 6 6 LEU LEU A . n +A 1 7 LEU 7 7 7 LEU LEU A . n +A 1 8 VAL 8 8 8 VAL VAL A . n +A 1 9 ASN 9 9 9 ASN ASN A . n +A 1 10 THR 10 10 10 THR THR A . n +A 1 11 LYS 11 11 11 LYS LYS A . n +A 1 12 SER 12 12 12 SER SER A . n +A 1 13 GLY 13 13 13 GLY GLY A . n +A 1 14 LYS 14 14 14 LYS LYS A . n +A 1 15 VAL 15 15 15 VAL VAL A . n +A 1 16 MET 16 16 16 MET MET A . n +A 1 17 GLY 17 17 17 GLY GLY A . n +A 1 18 THR 18 18 18 THR THR A . n +A 1 19 ARG 19 19 19 ARG ARG A . n +A 1 20 VAL 20 20 20 VAL VAL A . n +A 1 21 PRO 21 21 21 PRO PRO A . n +A 1 22 VAL 22 22 22 VAL VAL A . n +A 1 23 LEU 23 23 23 LEU LEU A . n +A 1 24 SER 24 24 24 SER SER A . n +A 1 25 SER 25 25 25 SER SER A . n +A 1 26 HIS 26 26 26 HIS HIS A . n +A 1 27 ILE 27 27 27 ILE ILE A . n +A 1 28 SER 28 28 28 SER SER A . n +A 1 29 ALA 29 29 29 ALA ALA A . n +A 1 30 PHE 30 30 30 PHE PHE A . n +A 1 31 LEU 31 31 31 LEU LEU A . n +A 1 32 GLY 32 32 32 GLY GLY A . n +A 1 33 ILE 33 33 33 ILE ILE A . n +A 1 34 PRO 34 34 34 PRO PRO A . n +A 1 35 PHE 35 35 35 PHE PHE A . n +A 1 36 ALA 36 36 36 ALA ALA A . n +A 1 37 GLU 37 37 37 GLU GLU A . n +A 1 38 PRO 38 38 38 PRO PRO A . n +A 1 39 PRO 39 39 39 PRO PRO A . n +A 1 40 VAL 40 40 40 VAL VAL A . n +A 1 41 GLY 41 41 41 GLY GLY A . n +A 1 42 ASN 42 42 42 ASN ASN A . n +A 1 43 MET 43 43 43 MET MET A . n +A 1 44 ARG 44 44 44 ARG ARG A . n +A 1 45 PHE 45 45 45 PHE PHE A . n +A 1 46 ARG 46 46 46 ARG ARG A . n +A 1 47 ARG 47 47 47 ARG ARG A . n +A 1 48 PRO 48 48 48 PRO PRO A . n +A 1 49 GLU 49 49 49 GLU GLU A . n +A 1 50 PRO 50 50 50 PRO PRO A . n +A 1 51 LYS 51 51 51 LYS LYS A . n +A 1 52 LYS 52 52 52 LYS LYS A . n +A 1 53 PRO 53 53 53 PRO PRO A . n +A 1 54 TRP 54 54 54 TRP TRP A . n +A 1 55 SER 55 55 55 SER SER A . n +A 1 56 GLY 56 56 56 GLY GLY A . n +A 1 57 VAL 57 57 57 VAL VAL A . n +A 1 58 TRP 58 58 58 TRP TRP A . n +A 1 59 ASN 59 59 59 ASN ASN A . n +A 1 60 ALA 60 60 60 ALA ALA A . n +A 1 61 SER 61 61 61 SER SER A . n +A 1 62 THR 62 62 62 THR THR A . n +A 1 63 TYR 63 63 63 TYR TYR A . n +A 1 64 PRO 64 64 64 PRO PRO A . n +A 1 65 ASN 65 65 65 ASN ASN A . n +A 1 66 ASN 66 66 66 ASN ASN A . n +A 1 67 CYS 67 67 67 CYS CYS A . n +A 1 68 GLN 68 68 68 GLN GLN A . n +A 1 69 GLN 69 69 69 GLN GLN A . n +A 1 70 TYR 70 70 70 TYR TYR A . n +A 1 71 VAL 71 71 71 VAL VAL A . n +A 1 72 ASP 72 72 72 ASP ASP A . n +A 1 73 GLU 73 73 73 GLU GLU A . n +A 1 74 GLN 74 74 74 GLN GLN A . n +A 1 75 PHE 75 75 75 PHE PHE A . n +A 1 76 PRO 76 76 76 PRO PRO A . n +A 1 77 GLY 77 77 77 GLY GLY A . n +A 1 78 PHE 78 78 78 PHE PHE A . n +A 1 79 SER 79 79 79 SER SER A . n +A 1 80 GLY 80 80 80 GLY GLY A . n +A 1 81 SER 81 81 81 SER SER A . n +A 1 82 GLU 82 82 82 GLU GLU A . n +A 1 83 MET 83 83 83 MET MET A . n +A 1 84 TRP 84 84 84 TRP TRP A . n +A 1 85 ASN 85 85 85 ASN ASN A . n +A 1 86 PRO 86 86 86 PRO PRO A . n +A 1 87 ASN 87 87 87 ASN ASN A . n +A 1 88 ARG 88 88 88 ARG ARG A . n +A 1 89 GLU 89 89 89 GLU GLU A . n +A 1 90 MET 90 90 90 MET MET A . n +A 1 91 SER 91 91 91 SER SER A . n +A 1 92 GLU 92 92 92 GLU GLU A . n +A 1 93 ASP 93 93 93 ASP ASP A . n +A 1 94 CYS 94 94 94 CYS CYS A . n +A 1 95 LEU 95 95 95 LEU LEU A . n +A 1 96 TYR 96 96 96 TYR TYR A . n +A 1 97 LEU 97 97 97 LEU LEU A . n +A 1 98 ASN 98 98 98 ASN ASN A . n +A 1 99 ILE 99 99 99 ILE ILE A . n +A 1 100 TRP 100 100 100 TRP TRP A . n +A 1 101 VAL 101 101 101 VAL VAL A . n +A 1 102 PRO 102 102 102 PRO PRO A . n +A 1 103 SER 103 103 103 SER SER A . n +A 1 104 PRO 104 104 104 PRO PRO A . n +A 1 105 ARG 105 105 105 ARG ARG A . n +A 1 106 PRO 106 106 106 PRO PRO A . n +A 1 107 LYS 107 107 107 LYS LYS A . n +A 1 108 SER 108 108 108 SER SER A . n +A 1 109 THR 109 109 109 THR THR A . n +A 1 110 THR 110 110 110 THR THR A . n +A 1 111 VAL 111 111 111 VAL VAL A . n +A 1 112 MET 112 112 112 MET MET A . n +A 1 113 VAL 113 113 113 VAL VAL A . n +A 1 114 TRP 114 114 114 TRP TRP A . n +A 1 115 ILE 115 115 115 ILE ILE A . n +A 1 116 TYR 116 116 116 TYR TYR A . n +A 1 117 GLY 117 117 117 GLY GLY A . n +A 1 118 GLY 118 118 118 GLY GLY A . n +A 1 119 GLY 119 119 119 GLY GLY A . n +A 1 120 PHE 120 120 120 PHE PHE A . n +A 1 121 TYR 121 121 121 TYR TYR A . n +A 1 122 SER 122 122 122 SER SER A . n +A 1 123 GLY 123 123 123 GLY GLY A . n +A 1 124 SER 124 124 124 SER SER A . n +A 1 125 SER 125 125 125 SER SER A . n +A 1 126 THR 126 126 126 THR THR A . n +A 1 127 LEU 127 127 127 LEU LEU A . n +A 1 128 ASP 128 128 128 ASP ASP A . n +A 1 129 VAL 129 129 129 VAL VAL A . n +A 1 130 TYR 130 130 130 TYR TYR A . n +A 1 131 ASN 131 131 131 ASN ASN A . n +A 1 132 GLY 132 132 132 GLY GLY A . n +A 1 133 LYS 133 133 133 LYS LYS A . n +A 1 134 TYR 134 134 134 TYR TYR A . n +A 1 135 LEU 135 135 135 LEU LEU A . n +A 1 136 ALA 136 136 136 ALA ALA A . n +A 1 137 TYR 137 137 137 TYR TYR A . n +A 1 138 THR 138 138 138 THR THR A . n +A 1 139 GLU 139 139 139 GLU GLU A . n +A 1 140 GLU 140 140 140 GLU GLU A . n +A 1 141 VAL 141 141 141 VAL VAL A . n +A 1 142 VAL 142 142 142 VAL VAL A . n +A 1 143 LEU 143 143 143 LEU LEU A . n +A 1 144 VAL 144 144 144 VAL VAL A . n +A 1 145 SER 145 145 145 SER SER A . n +A 1 146 LEU 146 146 146 LEU LEU A . n +A 1 147 SER 147 147 147 SER SER A . n +A 1 148 TYR 148 148 148 TYR TYR A . n +A 1 149 ARG 149 149 149 ARG ARG A . n +A 1 150 VAL 150 150 150 VAL VAL A . n +A 1 151 GLY 151 151 151 GLY GLY A . n +A 1 152 ALA 152 152 152 ALA ALA A . n +A 1 153 PHE 153 153 153 PHE PHE A . n +A 1 154 GLY 154 154 154 GLY GLY A . n +A 1 155 PHE 155 155 155 PHE PHE A . n +A 1 156 LEU 156 156 156 LEU LEU A . n +A 1 157 ALA 157 157 157 ALA ALA A . n +A 1 158 LEU 158 158 158 LEU LEU A . n +A 1 159 HIS 159 159 159 HIS HIS A . n +A 1 160 GLY 160 160 160 GLY GLY A . n +A 1 161 SER 161 161 161 SER SER A . n +A 1 162 GLN 162 162 162 GLN GLN A . n +A 1 163 GLU 163 163 163 GLU GLU A . n +A 1 164 ALA 164 164 164 ALA ALA A . n +A 1 165 PRO 165 165 165 PRO PRO A . n +A 1 166 GLY 166 166 166 GLY GLY A . n +A 1 167 ASN 167 167 167 ASN ASN A . n +A 1 168 VAL 168 168 168 VAL VAL A . n +A 1 169 GLY 169 169 169 GLY GLY A . n +A 1 170 LEU 170 170 170 LEU LEU A . n +A 1 171 LEU 171 171 171 LEU LEU A . n +A 1 172 ASP 172 172 172 ASP ASP A . n +A 1 173 GLN 173 173 173 GLN GLN A . n +A 1 174 ARG 174 174 174 ARG ARG A . n +A 1 175 MET 175 175 175 MET MET A . n +A 1 176 ALA 176 176 176 ALA ALA A . n +A 1 177 LEU 177 177 177 LEU LEU A . n +A 1 178 GLN 178 178 178 GLN GLN A . n +A 1 179 TRP 179 179 179 TRP TRP A . n +A 1 180 VAL 180 180 180 VAL VAL A . n +A 1 181 HIS 181 181 181 HIS HIS A . n +A 1 182 ASP 182 182 182 ASP ASP A . n +A 1 183 ASN 183 183 183 ASN ASN A . n +A 1 184 ILE 184 184 184 ILE ILE A . n +A 1 185 GLN 185 185 185 GLN GLN A . n +A 1 186 PHE 186 186 186 PHE PHE A . n +A 1 187 PHE 187 187 187 PHE PHE A . n +A 1 188 GLY 188 188 188 GLY GLY A . n +A 1 189 GLY 189 189 189 GLY GLY A . n +A 1 190 ASP 190 190 190 ASP ASP A . n +A 1 191 PRO 191 191 191 PRO PRO A . n +A 1 192 LYS 192 192 192 LYS LYS A . n +A 1 193 THR 193 193 193 THR THR A . n +A 1 194 VAL 194 194 194 VAL VAL A . n +A 1 195 THR 195 195 195 THR THR A . n +A 1 196 ILE 196 196 196 ILE ILE A . n +A 1 197 PHE 197 197 197 PHE PHE A . n +A 1 198 GLY 198 198 198 GLY GLY A . n +A 1 199 GLU 199 199 199 GLU GLU A . n +A 1 200 SER 200 200 200 SER SER A . n +A 1 201 ALA 201 201 201 ALA ALA A . n +A 1 202 GLY 202 202 202 GLY GLY A . n +A 1 203 GLY 203 203 203 GLY GLY A . n +A 1 204 ALA 204 204 204 ALA ALA A . n +A 1 205 SER 205 205 205 SER SER A . n +A 1 206 VAL 206 206 206 VAL VAL A . n +A 1 207 GLY 207 207 207 GLY GLY A . n +A 1 208 MET 208 208 208 MET MET A . n +A 1 209 HIS 209 209 209 HIS HIS A . n +A 1 210 ILE 210 210 210 ILE ILE A . n +A 1 211 LEU 211 211 211 LEU LEU A . n +A 1 212 SER 212 212 212 SER SER A . n +A 1 213 PRO 213 213 213 PRO PRO A . n +A 1 214 GLY 214 214 214 GLY GLY A . n +A 1 215 SER 215 215 215 SER SER A . n +A 1 216 ARG 216 216 216 ARG ARG A . n +A 1 217 ASP 217 217 217 ASP ASP A . n +A 1 218 LEU 218 218 218 LEU LEU A . n +A 1 219 PHE 219 219 219 PHE PHE A . n +A 1 220 ARG 220 220 220 ARG ARG A . n +A 1 221 ARG 221 221 221 ARG ARG A . n +A 1 222 ALA 222 222 222 ALA ALA A . n +A 1 223 ILE 223 223 223 ILE ILE A . n +A 1 224 LEU 224 224 224 LEU LEU A . n +A 1 225 GLN 225 225 225 GLN GLN A . n +A 1 226 SER 226 226 226 SER SER A . n +A 1 227 GLY 227 227 227 GLY GLY A . n +A 1 228 SER 228 228 228 SER SER A . n +A 1 229 PRO 229 229 229 PRO PRO A . n +A 1 230 ASN 230 230 230 ASN ASN A . n +A 1 231 CYS 231 231 231 CYS CYS A . n +A 1 232 PRO 232 232 232 PRO PRO A . n +A 1 233 TRP 233 233 233 TRP TRP A . n +A 1 234 ALA 234 234 234 ALA ALA A . n +A 1 235 SER 235 235 235 SER SER A . n +A 1 236 VAL 236 236 236 VAL VAL A . n +A 1 237 SER 237 237 237 SER SER A . n +A 1 238 VAL 238 238 238 VAL VAL A . n +A 1 239 ALA 239 239 239 ALA ALA A . n +A 1 240 GLU 240 240 240 GLU GLU A . n +A 1 241 GLY 241 241 241 GLY GLY A . n +A 1 242 ARG 242 242 242 ARG ARG A . n +A 1 243 ARG 243 243 243 ARG ARG A . n +A 1 244 ARG 244 244 244 ARG ARG A . n +A 1 245 ALA 245 245 245 ALA ALA A . n +A 1 246 VAL 246 246 246 VAL VAL A . n +A 1 247 GLU 247 247 247 GLU GLU A . n +A 1 248 LEU 248 248 248 LEU LEU A . n +A 1 249 GLY 249 249 249 GLY GLY A . n +A 1 250 ARG 250 250 250 ARG ARG A . n +A 1 251 ASN 251 251 251 ASN ASN A . n +A 1 252 LEU 252 252 252 LEU LEU A . n +A 1 253 ASN 253 253 253 ASN ASN A . n +A 1 254 CYS 254 254 254 CYS CYS A . n +A 1 255 ASN 255 255 255 ASN ASN A . n +A 1 256 LEU 256 256 256 LEU LEU A . n +A 1 257 ASN 257 257 257 ASN ASN A . n +A 1 258 SER 258 258 258 SER SER A . n +A 1 259 ASP 259 259 259 ASP ASP A . n +A 1 260 GLU 260 260 260 GLU GLU A . n +A 1 261 GLU 261 261 261 GLU GLU A . n +A 1 262 LEU 262 262 262 LEU LEU A . n +A 1 263 ILE 263 263 263 ILE ILE A . n +A 1 264 HIS 264 264 264 HIS HIS A . n +A 1 265 CYS 265 265 265 CYS CYS A . n +A 1 266 LEU 266 266 266 LEU LEU A . n +A 1 267 ARG 267 267 267 ARG ARG A . n +A 1 268 GLU 268 268 268 GLU GLU A . n +A 1 269 LYS 269 269 269 LYS LYS A . n +A 1 270 LYS 270 270 270 LYS LYS A . n +A 1 271 PRO 271 271 271 PRO PRO A . n +A 1 272 GLN 272 272 272 GLN GLN A . n +A 1 273 GLU 273 273 273 GLU GLU A . n +A 1 274 LEU 274 274 274 LEU LEU A . n +A 1 275 ILE 275 275 275 ILE ILE A . n +A 1 276 ASP 276 276 276 ASP ASP A . n +A 1 277 VAL 277 277 277 VAL VAL A . n +A 1 278 GLU 278 278 278 GLU GLU A . n +A 1 279 TRP 279 279 279 TRP TRP A . n +A 1 280 ASN 280 280 280 ASN ASN A . n +A 1 281 VAL 281 281 281 VAL VAL A . n +A 1 282 LEU 282 282 282 LEU LEU A . n +A 1 283 PRO 283 283 283 PRO PRO A . n +A 1 284 PHE 284 284 284 PHE PHE A . n +A 1 285 ASP 285 285 285 ASP ASP A . n +A 1 286 SER 286 286 286 SER SER A . n +A 1 287 ILE 287 287 287 ILE ILE A . n +A 1 288 PHE 288 288 288 PHE PHE A . n +A 1 289 ARG 289 289 289 ARG ARG A . n +A 1 290 PHE 290 290 290 PHE PHE A . n +A 1 291 SER 291 291 291 SER SER A . n +A 1 292 PHE 292 292 292 PHE PHE A . n +A 1 293 VAL 293 293 293 VAL VAL A . n +A 1 294 PRO 294 294 294 PRO PRO A . n +A 1 295 VAL 295 295 295 VAL VAL A . n +A 1 296 ILE 296 296 296 ILE ILE A . n +A 1 297 ASP 297 297 297 ASP ASP A . n +A 1 298 GLY 298 298 298 GLY GLY A . n +A 1 299 GLU 299 299 299 GLU GLU A . n +A 1 300 PHE 300 300 300 PHE PHE A . n +A 1 301 PHE 301 301 301 PHE PHE A . n +A 1 302 PRO 302 302 302 PRO PRO A . n +A 1 303 THR 303 303 303 THR THR A . n +A 1 304 SER 304 304 304 SER SER A . n +A 1 305 LEU 305 305 305 LEU LEU A . n +A 1 306 GLU 306 306 306 GLU GLU A . n +A 1 307 SER 307 307 307 SER SER A . n +A 1 308 MET 308 308 308 MET MET A . n +A 1 309 LEU 309 309 309 LEU LEU A . n +A 1 310 ASN 310 310 310 ASN ASN A . n +A 1 311 SER 311 311 311 SER SER A . n +A 1 312 GLY 312 312 312 GLY GLY A . n +A 1 313 ASN 313 313 313 ASN ASN A . n +A 1 314 PHE 314 314 314 PHE PHE A . n +A 1 315 LYS 315 315 315 LYS LYS A . n +A 1 316 LYS 316 316 316 LYS LYS A . n +A 1 317 THR 317 317 317 THR THR A . n +A 1 318 GLN 318 318 318 GLN GLN A . n +A 1 319 ILE 319 319 319 ILE ILE A . n +A 1 320 LEU 320 320 320 LEU LEU A . n +A 1 321 LEU 321 321 321 LEU LEU A . n +A 1 322 GLY 322 322 322 GLY GLY A . n +A 1 323 VAL 323 323 323 VAL VAL A . n +A 1 324 ASN 324 324 324 ASN ASN A . n +A 1 325 LYS 325 325 325 LYS LYS A . n +A 1 326 ASP 326 326 326 ASP ASP A . n +A 1 327 GLU 327 327 327 GLU GLU A . n +A 1 328 GLY 328 328 328 GLY GLY A . n +A 1 329 SER 329 329 329 SER SER A . n +A 1 330 PHE 330 330 330 PHE PHE A . n +A 1 331 PHE 331 331 331 PHE PHE A . n +A 1 332 LEU 332 332 332 LEU LEU A . n +A 1 333 LEU 333 333 333 LEU LEU A . n +A 1 334 TYR 334 334 334 TYR TYR A . n +A 1 335 GLY 335 335 335 GLY GLY A . n +A 1 336 ALA 336 336 336 ALA ALA A . n +A 1 337 PRO 337 337 337 PRO PRO A . n +A 1 338 GLY 338 338 338 GLY GLY A . n +A 1 339 PHE 339 339 339 PHE PHE A . n +A 1 340 SER 340 340 340 SER SER A . n +A 1 341 LYS 341 341 341 LYS LYS A . n +A 1 342 ASP 342 342 342 ASP ASP A . n +A 1 343 SER 343 343 343 SER SER A . n +A 1 344 GLU 344 344 344 GLU GLU A . n +A 1 345 SER 345 345 345 SER SER A . n +A 1 346 LYS 346 346 346 LYS LYS A . n +A 1 347 ILE 347 347 347 ILE ILE A . n +A 1 348 SER 348 348 348 SER SER A . n +A 1 349 ARG 349 349 349 ARG ARG A . n +A 1 350 GLU 350 350 350 GLU GLU A . n +A 1 351 ASP 351 351 351 ASP ASP A . n +A 1 352 PHE 352 352 352 PHE PHE A . n +A 1 353 MET 353 353 353 MET MET A . n +A 1 354 SER 354 354 354 SER SER A . n +A 1 355 GLY 355 355 355 GLY GLY A . n +A 1 356 VAL 356 356 356 VAL VAL A . n +A 1 357 LYS 357 357 357 LYS LYS A . n +A 1 358 LEU 358 358 358 LEU LEU A . n +A 1 359 SER 359 359 359 SER SER A . n +A 1 360 VAL 360 360 360 VAL VAL A . n +A 1 361 PRO 361 361 361 PRO PRO A . n +A 1 362 HIS 362 362 362 HIS HIS A . n +A 1 363 ALA 363 363 363 ALA ALA A . n +A 1 364 ASN 364 364 364 ASN ASN A . n +A 1 365 ASP 365 365 365 ASP ASP A . n +A 1 366 LEU 366 366 366 LEU LEU A . n +A 1 367 GLY 367 367 367 GLY GLY A . n +A 1 368 LEU 368 368 368 LEU LEU A . n +A 1 369 ASP 369 369 369 ASP ASP A . n +A 1 370 ALA 370 370 370 ALA ALA A . n +A 1 371 VAL 371 371 371 VAL VAL A . n +A 1 372 THR 372 372 372 THR THR A . n +A 1 373 LEU 373 373 373 LEU LEU A . n +A 1 374 GLN 374 374 374 GLN GLN A . n +A 1 375 TYR 375 375 375 TYR TYR A . n +A 1 376 THR 376 376 376 THR THR A . n +A 1 377 ASP 377 377 377 ASP ASP A . n +A 1 378 TRP 378 378 378 TRP TRP A . n +A 1 379 MET 379 379 379 MET MET A . n +A 1 380 ASP 380 380 380 ASP ASP A . n +A 1 381 ASP 381 381 381 ASP ASP A . n +A 1 382 ASN 382 382 382 ASN ASN A . n +A 1 383 ASN 383 383 383 ASN ASN A . n +A 1 384 GLY 384 384 384 GLY GLY A . n +A 1 385 ILE 385 385 385 ILE ILE A . n +A 1 386 LYS 386 386 386 LYS LYS A . n +A 1 387 ASN 387 387 387 ASN ASN A . n +A 1 388 ARG 388 388 388 ARG ARG A . n +A 1 389 ASP 389 389 389 ASP ASP A . n +A 1 390 GLY 390 390 390 GLY GLY A . n +A 1 391 LEU 391 391 391 LEU LEU A . n +A 1 392 ASP 392 392 392 ASP ASP A . n +A 1 393 ASP 393 393 393 ASP ASP A . n +A 1 394 ILE 394 394 394 ILE ILE A . n +A 1 395 VAL 395 395 395 VAL VAL A . n +A 1 396 GLY 396 396 396 GLY GLY A . n +A 1 397 ASP 397 397 397 ASP ASP A . n +A 1 398 HIS 398 398 398 HIS HIS A . n +A 1 399 ASN 399 399 399 ASN ASN A . n +A 1 400 VAL 400 400 400 VAL VAL A . n +A 1 401 ILE 401 401 401 ILE ILE A . n +A 1 402 CYS 402 402 402 CYS CYS A . n +A 1 403 PRO 403 403 403 PRO PRO A . n +A 1 404 LEU 404 404 404 LEU LEU A . n +A 1 405 MET 405 405 405 MET MET A . n +A 1 406 HIS 406 406 406 HIS HIS A . n +A 1 407 PHE 407 407 407 PHE PHE A . n +A 1 408 VAL 408 408 408 VAL VAL A . n +A 1 409 ASN 409 409 409 ASN ASN A . n +A 1 410 LYS 410 410 410 LYS LYS A . n +A 1 411 TYR 411 411 411 TYR TYR A . n +A 1 412 THR 412 412 412 THR THR A . n +A 1 413 LYS 413 413 413 LYS LYS A . n +A 1 414 PHE 414 414 414 PHE PHE A . n +A 1 415 GLY 415 415 415 GLY GLY A . n +A 1 416 ASN 416 416 416 ASN ASN A . n +A 1 417 GLY 417 417 417 GLY GLY A . n +A 1 418 THR 418 418 418 THR THR A . n +A 1 419 TYR 419 419 419 TYR TYR A . n +A 1 420 LEU 420 420 420 LEU LEU A . n +A 1 421 TYR 421 421 421 TYR TYR A . n +A 1 422 PHE 422 422 422 PHE PHE A . n +A 1 423 PHE 423 423 423 PHE PHE A . n +A 1 424 ASN 424 424 424 ASN ASN A . n +A 1 425 HIS 425 425 425 HIS HIS A . n +A 1 426 ARG 426 426 426 ARG ARG A . n +A 1 427 ALA 427 427 427 ALA ALA A . n +A 1 428 SER 428 428 428 SER SER A . n +A 1 429 ASN 429 429 429 ASN ASN A . n +A 1 430 LEU 430 430 430 LEU LEU A . n +A 1 431 VAL 431 431 431 VAL VAL A . n +A 1 432 TRP 432 432 432 TRP TRP A . n +A 1 433 PRO 433 433 433 PRO PRO A . n +A 1 434 GLU 434 434 434 GLU GLU A . n +A 1 435 TRP 435 435 435 TRP TRP A . n +A 1 436 MET 436 436 436 MET MET A . n +A 1 437 GLY 437 437 437 GLY GLY A . n +A 1 438 VAL 438 438 438 VAL VAL A . n +A 1 439 ILE 439 439 439 ILE ILE A . n +A 1 440 HIS 440 440 440 HIS HIS A . n +A 1 441 GLY 441 441 441 GLY GLY A . n +A 1 442 TYR 442 442 442 TYR TYR A . n +A 1 443 GLU 443 443 443 GLU GLU A . n +A 1 444 ILE 444 444 444 ILE ILE A . n +A 1 445 GLU 445 445 445 GLU GLU A . n +A 1 446 PHE 446 446 446 PHE PHE A . n +A 1 447 VAL 447 447 447 VAL VAL A . n +A 1 448 PHE 448 448 448 PHE PHE A . n +A 1 449 GLY 449 449 449 GLY GLY A . n +A 1 450 LEU 450 450 450 LEU LEU A . n +A 1 451 PRO 451 451 451 PRO PRO A . n +A 1 452 LEU 452 452 452 LEU LEU A . n +A 1 453 VAL 453 453 453 VAL VAL A . n +A 1 454 LYS 454 454 454 LYS LYS A . n +A 1 455 GLU 455 455 455 GLU GLU A . n +A 1 456 LEU 456 456 456 LEU LEU A . n +A 1 457 ASN 457 457 457 ASN ASN A . n +A 1 458 TYR 458 458 458 TYR TYR A . n +A 1 459 THR 459 459 459 THR THR A . n +A 1 460 ALA 460 460 460 ALA ALA A . n +A 1 461 GLU 461 461 461 GLU GLU A . n +A 1 462 GLU 462 462 462 GLU GLU A . n +A 1 463 GLU 463 463 463 GLU GLU A . n +A 1 464 ALA 464 464 464 ALA ALA A . n +A 1 465 LEU 465 465 465 LEU LEU A . n +A 1 466 SER 466 466 466 SER SER A . n +A 1 467 ARG 467 467 467 ARG ARG A . n +A 1 468 ARG 468 468 468 ARG ARG A . n +A 1 469 ILE 469 469 469 ILE ILE A . n +A 1 470 MET 470 470 470 MET MET A . n +A 1 471 HIS 471 471 471 HIS HIS A . n +A 1 472 TYR 472 472 472 TYR TYR A . n +A 1 473 TRP 473 473 473 TRP TRP A . n +A 1 474 ALA 474 474 474 ALA ALA A . n +A 1 475 THR 475 475 475 THR THR A . n +A 1 476 PHE 476 476 476 PHE PHE A . n +A 1 477 ALA 477 477 477 ALA ALA A . n +A 1 478 LYS 478 478 478 LYS LYS A . n +A 1 479 THR 479 479 479 THR THR A . n +A 1 480 GLY 480 480 480 GLY GLY A . n +A 1 481 ASN 481 481 481 ASN ASN A . n +A 1 482 PRO 482 482 482 PRO PRO A . n +A 1 483 ASN 483 483 483 ASN ASN A . n +A 1 484 GLU 484 484 484 GLU GLU A . n +A 1 485 PRO 485 485 485 PRO PRO A . n +A 1 486 HIS 486 486 . . . A . n +A 1 487 SER 487 487 . . . A . n +A 1 488 GLN 488 488 . . . A . n +A 1 489 GLU 489 489 . . . A . n +A 1 490 SER 490 490 490 SER SER A . n +A 1 491 LYS 491 491 491 LYS LYS A . n +A 1 492 TRP 492 492 492 TRP TRP A . n +A 1 493 PRO 493 493 493 PRO PRO A . n +A 1 494 LEU 494 494 494 LEU LEU A . n +A 1 495 PHE 495 495 495 PHE PHE A . n +A 1 496 THR 496 496 496 THR THR A . n +A 1 497 THR 497 497 497 THR THR A . n +A 1 498 LYS 498 498 498 LYS LYS A . n +A 1 499 GLU 499 499 499 GLU GLU A . n +A 1 500 GLN 500 500 500 GLN GLN A . n +A 1 501 LYS 501 501 501 LYS LYS A . n +A 1 502 PHE 502 502 502 PHE PHE A . n +A 1 503 ILE 503 503 503 ILE ILE A . n +A 1 504 ASP 504 504 504 ASP ASP A . n +A 1 505 LEU 505 505 505 LEU LEU A . n +A 1 506 ASN 506 506 506 ASN ASN A . n +A 1 507 THR 507 507 507 THR THR A . n +A 1 508 GLU 508 508 508 GLU GLU A . n +A 1 509 PRO 509 509 509 PRO PRO A . n +A 1 510 MET 510 510 510 MET MET A . n +A 1 511 LYS 511 511 511 LYS LYS A . n +A 1 512 VAL 512 512 512 VAL VAL A . n +A 1 513 HIS 513 513 513 HIS HIS A . n +A 1 514 GLN 514 514 514 GLN GLN A . n +A 1 515 ARG 515 515 515 ARG ARG A . n +A 1 516 LEU 516 516 516 LEU LEU A . n +A 1 517 ARG 517 517 517 ARG ARG A . n +A 1 518 VAL 518 518 518 VAL VAL A . n +A 1 519 GLN 519 519 519 GLN GLN A . n +A 1 520 MET 520 520 520 MET MET A . n +A 1 521 CYS 521 521 521 CYS CYS A . n +A 1 522 VAL 522 522 522 VAL VAL A . n +A 1 523 PHE 523 523 523 PHE PHE A . n +A 1 524 TRP 524 524 524 TRP TRP A . n +A 1 525 ASN 525 525 525 ASN ASN A . n +A 1 526 GLN 526 526 526 GLN GLN A . n +A 1 527 PHE 527 527 527 PHE PHE A . n +A 1 528 LEU 528 528 528 LEU LEU A . n +A 1 529 PRO 529 529 529 PRO PRO A . n +A 1 530 LYS 530 530 530 LYS LYS A . n +A 1 531 LEU 531 531 531 LEU LEU A . n +A 1 532 LEU 532 532 532 LEU LEU A . n +A 1 533 ASN 533 533 533 ASN ASN A . n +A 1 534 ALA 534 534 534 ALA ALA A . n +A 1 535 THR 535 535 535 THR THR A . n +A 1 536 GLU 536 536 . . . A . n +A 1 537 THR 537 537 . . . A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 THA A 1 999 999 THA THA . +C 3 HOH A 1 601 601 HOH HOH . +C 3 HOH A 2 602 602 HOH HOH . +C 3 HOH A 3 603 603 HOH HOH . +C 3 HOH A 4 604 604 HOH HOH . +C 3 HOH A 5 605 605 HOH HOH . +C 3 HOH A 6 606 606 HOH HOH . +C 3 HOH A 7 607 607 HOH HOH . +C 3 HOH A 8 608 608 HOH HOH . +C 3 HOH A 9 609 609 HOH HOH . +C 3 HOH A 10 610 610 HOH HOH . +C 3 HOH A 11 611 611 HOH HOH . +C 3 HOH A 12 612 612 HOH HOH . +C 3 HOH A 13 613 613 HOH HOH . +C 3 HOH A 14 614 614 HOH HOH . +C 3 HOH A 15 615 615 HOH HOH . +C 3 HOH A 16 616 616 HOH HOH . +C 3 HOH A 17 617 617 HOH HOH . +C 3 HOH A 18 618 618 HOH HOH . +C 3 HOH A 19 619 619 HOH HOH . +C 3 HOH A 20 620 620 HOH HOH . +C 3 HOH A 21 621 621 HOH HOH . +C 3 HOH A 22 622 622 HOH HOH . +C 3 HOH A 23 623 623 HOH HOH . +C 3 HOH A 24 624 624 HOH HOH . +C 3 HOH A 25 625 625 HOH HOH . +C 3 HOH A 26 626 626 HOH HOH . +C 3 HOH A 27 627 627 HOH HOH . +C 3 HOH A 28 628 628 HOH HOH . +C 3 HOH A 29 629 629 HOH HOH . +C 3 HOH A 30 630 630 HOH HOH . +C 3 HOH A 31 631 631 HOH HOH . +C 3 HOH A 32 632 632 HOH HOH . +C 3 HOH A 33 633 633 HOH HOH . +C 3 HOH A 34 634 634 HOH HOH . +C 3 HOH A 35 635 635 HOH HOH . +C 3 HOH A 36 636 636 HOH HOH . +C 3 HOH A 37 637 637 HOH HOH . +C 3 HOH A 38 638 638 HOH HOH . +C 3 HOH A 39 639 639 HOH HOH . +C 3 HOH A 40 640 640 HOH HOH . +C 3 HOH A 41 641 641 HOH HOH . +C 3 HOH A 42 642 642 HOH HOH . +C 3 HOH A 43 643 643 HOH HOH . +C 3 HOH A 44 644 644 HOH HOH . +C 3 HOH A 45 645 645 HOH HOH . +C 3 HOH A 46 646 646 HOH HOH . +C 3 HOH A 47 647 647 HOH HOH . +C 3 HOH A 48 648 648 HOH HOH . +C 3 HOH A 49 649 649 HOH HOH . +C 3 HOH A 50 650 650 HOH HOH . +C 3 HOH A 51 651 651 HOH HOH . +C 3 HOH A 52 652 652 HOH HOH . +C 3 HOH A 53 653 653 HOH HOH . +C 3 HOH A 54 654 654 HOH HOH . +C 3 HOH A 55 655 655 HOH HOH . +C 3 HOH A 56 656 656 HOH HOH . +C 3 HOH A 57 657 657 HOH HOH . +C 3 HOH A 58 658 658 HOH HOH . +C 3 HOH A 59 659 659 HOH HOH . +C 3 HOH A 60 660 660 HOH HOH . +C 3 HOH A 61 661 661 HOH HOH . +C 3 HOH A 62 662 662 HOH HOH . +C 3 HOH A 63 663 663 HOH HOH . +C 3 HOH A 64 664 664 HOH HOH . +C 3 HOH A 65 665 665 HOH HOH . +C 3 HOH A 66 666 666 HOH HOH . +C 3 HOH A 67 667 667 HOH HOH . +C 3 HOH A 68 668 668 HOH HOH . +C 3 HOH A 69 669 669 HOH HOH . +C 3 HOH A 70 670 670 HOH HOH . +C 3 HOH A 71 671 671 HOH HOH . +C 3 HOH A 72 672 672 HOH HOH . +C 3 HOH A 73 673 673 HOH HOH . +C 3 HOH A 74 674 674 HOH HOH . +C 3 HOH A 75 675 675 HOH HOH . +C 3 HOH A 76 676 676 HOH HOH . +C 3 HOH A 77 677 677 HOH HOH . +C 3 HOH A 78 678 678 HOH HOH . +C 3 HOH A 79 679 679 HOH HOH . +C 3 HOH A 80 680 680 HOH HOH . +C 3 HOH A 81 681 681 HOH HOH . +C 3 HOH A 82 682 682 HOH HOH . +# +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B,C +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 2940 . +1 MORE -12 . +1 'SSA (A^2)' 35930 . +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1 0 0 0 1 0 0 0 1 0 0 0 +2 'crystal symmetry operation' 4_556 y,x,-z+1 -0.5 0.866025 0 0.866025 0.5 0 0 0 -1 0 0 138.1 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1994-08-31 +2 'Structure model' 1 1 2008-03-03 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2016-06-29 +5 'Structure model' 1 4 2021-08-25 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +_pdbx_audit_revision_details.details . +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Derived calculations' +4 5 'Structure model' 'Database references' +5 5 'Structure model' 'Derived calculations' +6 5 'Structure model' Other +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 5 'Structure model' database_2 +2 5 'Structure model' pdbx_database_status +3 5 'Structure model' struct_site +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 5 'Structure model' '_database_2.pdbx_DOI' +2 5 'Structure model' '_database_2.pdbx_database_accession' +3 5 'Structure model' '_pdbx_database_status.process_site' +4 5 'Structure model' '_struct_site.pdbx_auth_asym_id' +5 5 'Structure model' '_struct_site.pdbx_auth_comp_id' +6 5 'Structure model' '_struct_site.pdbx_auth_seq_id' +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +'model building' . . X-PLOR . . 1 +refinement . . X-PLOR . . 2 +phasing . . X-PLOR . . 3 +# +_pdbx_entry_details.entry_id 1ACJ +_pdbx_entry_details.compound_details . +_pdbx_entry_details.source_details . +_pdbx_entry_details.nonpolymer_details 'RESIDUE THA 999 IS BOUND NON-COVALENTLY IN THE ACTIVE SITE.' +_pdbx_entry_details.sequence_details . +_pdbx_entry_details.has_ligand_of_interest . +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 CE2 A TRP 54 . . CD2 A TRP 54 . . 1.485 1.409 0.076 0.012 N +2 1 CG A HIS 159 . . CD2 A HIS 159 . . 1.414 1.354 0.06 0.009000000000000001 N +3 1 CE2 A TRP 179 . . CD2 A TRP 179 . . 1.488 1.409 0.079 0.012 N +4 1 CG A HIS 181 . . CD2 A HIS 181 . . 1.42 1.354 0.066 0.009000000000000001 N +5 1 CG A HIS 209 . . CD2 A HIS 209 . . 1.418 1.354 0.064 0.009000000000000001 N +6 1 CE2 A TRP 233 . . CD2 A TRP 233 . . 1.486 1.409 0.077 0.012 N +7 1 CG A HIS 264 . . CD2 A HIS 264 . . 1.422 1.354 0.068 0.009000000000000001 N +8 1 CE2 A TRP 279 . . CD2 A TRP 279 . . 1.488 1.409 0.079 0.012 N +9 1 CG A HIS 362 . . CD2 A HIS 362 . . 1.411 1.354 0.057 0.009000000000000001 N +10 1 CG A HIS 398 . . CD2 A HIS 398 . . 1.42 1.354 0.066 0.009000000000000001 N +11 1 CG A HIS 406 . . CD2 A HIS 406 . . 1.414 1.354 0.06 0.009000000000000001 N +12 1 CG A HIS 425 . . CD2 A HIS 425 . . 1.414 1.354 0.06 0.009000000000000001 N +13 1 CE2 A TRP 432 . . CD2 A TRP 432 . . 1.483 1.409 0.074 0.012 N +14 1 CE2 A TRP 435 . . CD2 A TRP 435 . . 1.484 1.409 0.075 0.012 N +15 1 CG A HIS 440 . . CD2 A HIS 440 . . 1.418 1.354 0.064 0.009000000000000001 N +16 1 CG A HIS 471 . . CD2 A HIS 471 . . 1.415 1.354 0.061 0.009000000000000001 N +17 1 CE2 A TRP 473 . . CD2 A TRP 473 . . 1.481 1.409 0.07200000000000001 0.012 N +18 1 CG A HIS 513 . . CD2 A HIS 513 . . 1.417 1.354 0.063 0.009000000000000001 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 NE A ARG 47 . . CZ A ARG 47 . . NH1 A ARG 47 . . 124.59 120.30000000000001 4.29 0.5 N +2 1 NE A ARG 47 . . CZ A ARG 47 . . NH2 A ARG 47 . . 112.62 120.30000000000001 -7.68 0.5 N +3 1 NE A ARG 216 . . CZ A ARG 216 . . NH2 A ARG 216 . . 116.98 120.30000000000001 -3.3200000000000003 0.5 N +4 1 NE A ARG 267 . . CZ A ARG 267 . . NH1 A ARG 267 . . 123.38000000000001 120.30000000000001 3.08 0.5 N +5 1 N A SER 343 . . CA A SER 343 . . CB A SER 343 . . 101.02 110.5 -9.48 1.5 N +6 1 CB A PHE 414 . . CG A PHE 414 . . CD2 A PHE 414 . . 114.47 120.80000000000001 -6.33 0.7000000000000001 N +7 1 CB A PHE 414 . . CG A PHE 414 . . CD1 A PHE 414 . . 128.77 120.80000000000001 7.97 0.7000000000000001 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 GLU A 5 . . 82.74 -54.44 +2 1 LEU A 23 . . 58.24 -117.52 +3 1 SER A 25 . . -130.9 -148.71 +4 1 PHE A 45 . . 77.9 -13 +5 1 ALA A 60 . . -114.64 54.33 +6 1 CYS A 94 . . -140.13 10.02 +7 1 PHE A 120 . . 71.73 -7.55 +8 1 HIS A 159 . . -18.740000000000002 -71.17 +9 1 ASN A 167 . . 45.27 18.23 +10 1 ASN A 183 . . -150.41 -2.07 +11 1 THR A 193 . . -142.72 51.160000000000004 +12 1 SER A 200 . . 61.050000000000004 -122.35000000000001 +13 1 ARG A 220 . . -99.61 -67.37 +14 1 GLU A 299 . . -107.66 -76.18 +15 1 ASP A 326 . . -116.39 78.45 +16 1 SER A 329 . . -24.13 -63.42 +17 1 SER A 345 . . 30.02 69.41 +18 1 VAL A 360 . . -118.47 65.15 +19 1 ASP A 380 . . -162.16 30.810000000000002 +20 1 ASP A 381 . . -23.32 -55.24 +21 1 VAL A 400 . . -133.32 -54.2 +22 1 ASN A 416 . . -109.87 40.81 +23 1 LYS A 498 . . -69.78 -73.98 +24 1 GLN A 500 . . -63.7 73.98 +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.label_alt_id +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 TYR A 442 . . 0.063 'SIDE CHAIN' +2 1 TYR A 458 . . 0.07 'SIDE CHAIN' +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A ARG 19 . NE . A ARG 19 NE +2 1 Y 1 A ARG 19 . CZ . A ARG 19 CZ +3 1 Y 1 A ARG 19 . NH1 . A ARG 19 NH1 +4 1 Y 1 A ARG 19 . NH2 . A ARG 19 NH2 +5 1 Y 1 A HIS 26 . CG . A HIS 26 CG +6 1 Y 1 A HIS 26 . ND1 . A HIS 26 ND1 +7 1 Y 1 A HIS 26 . CD2 . A HIS 26 CD2 +8 1 Y 1 A HIS 26 . CE1 . A HIS 26 CE1 +9 1 Y 1 A HIS 26 . NE2 . A HIS 26 NE2 +10 1 Y 1 A ASN 42 . CG . A ASN 42 CG +11 1 Y 1 A ASN 42 . OD1 . A ASN 42 OD1 +12 1 Y 1 A ASN 42 . ND2 . A ASN 42 ND2 +13 1 Y 1 A ARG 46 . CZ . A ARG 46 CZ +14 1 Y 1 A ARG 46 . NH1 . A ARG 46 NH1 +15 1 Y 1 A ARG 46 . NH2 . A ARG 46 NH2 +16 1 Y 1 A GLN 74 . OE1 . A GLN 74 OE1 +17 1 Y 1 A GLN 74 . NE2 . A GLN 74 NE2 +18 1 Y 1 A ARG 88 . NH1 . A ARG 88 NH1 +19 1 Y 1 A ARG 88 . NH2 . A ARG 88 NH2 +20 1 Y 1 A GLU 89 . CD . A GLU 89 CD +21 1 Y 1 A GLU 89 . OE1 . A GLU 89 OE1 +22 1 Y 1 A GLU 89 . OE2 . A GLU 89 OE2 +23 1 Y 1 A LYS 107 . CG . A LYS 107 CG +24 1 Y 1 A LYS 107 . CD . A LYS 107 CD +25 1 Y 1 A LYS 107 . CE . A LYS 107 CE +26 1 Y 1 A LYS 107 . NZ . A LYS 107 NZ +27 1 Y 1 A GLN 162 . CD . A GLN 162 CD +28 1 Y 1 A GLN 162 . OE1 . A GLN 162 OE1 +29 1 Y 1 A GLN 162 . NE2 . A GLN 162 NE2 +30 1 Y 1 A GLU 163 . OE1 . A GLU 163 OE1 +31 1 Y 1 A GLU 163 . OE2 . A GLU 163 OE2 +32 1 Y 1 A ASN 253 . OD1 . A ASN 253 OD1 +33 1 Y 1 A ASN 253 . ND2 . A ASN 253 ND2 +34 1 Y 1 A ASN 257 . CG . A ASN 257 CG +35 1 Y 1 A ASN 257 . OD1 . A ASN 257 OD1 +36 1 Y 1 A ASN 257 . ND2 . A ASN 257 ND2 +37 1 Y 1 A GLU 260 . CG . A GLU 260 CG +38 1 Y 1 A GLU 260 . CD . A GLU 260 CD +39 1 Y 1 A GLU 260 . OE1 . A GLU 260 OE1 +40 1 Y 1 A GLU 260 . OE2 . A GLU 260 OE2 +41 1 Y 1 A GLU 261 . CD . A GLU 261 CD +42 1 Y 1 A GLU 261 . OE1 . A GLU 261 OE1 +43 1 Y 1 A GLU 261 . OE2 . A GLU 261 OE2 +44 1 Y 1 A GLU 268 . CD . A GLU 268 CD +45 1 Y 1 A GLU 268 . OE1 . A GLU 268 OE1 +46 1 Y 1 A GLU 268 . OE2 . A GLU 268 OE2 +47 1 Y 1 A LYS 270 . CD . A LYS 270 CD +48 1 Y 1 A LYS 270 . CE . A LYS 270 CE +49 1 Y 1 A LYS 270 . NZ . A LYS 270 NZ +50 1 Y 1 A PHE 284 . CD1 . A PHE 284 CD1 +51 1 Y 1 A PHE 284 . CD2 . A PHE 284 CD2 +52 1 Y 1 A PHE 284 . CE1 . A PHE 284 CE1 +53 1 Y 1 A PHE 284 . CE2 . A PHE 284 CE2 +54 1 Y 1 A PHE 284 . CZ . A PHE 284 CZ +55 1 Y 1 A SER 286 . OG . A SER 286 OG +56 1 Y 1 A GLU 299 . CD . A GLU 299 CD +57 1 Y 1 A GLU 299 . OE1 . A GLU 299 OE1 +58 1 Y 1 A GLU 299 . OE2 . A GLU 299 OE2 +59 1 Y 1 A ASN 310 . CG . A ASN 310 CG +60 1 Y 1 A ASN 310 . OD1 . A ASN 310 OD1 +61 1 Y 1 A ASN 310 . ND2 . A ASN 310 ND2 +62 1 Y 1 A LYS 325 . NZ . A LYS 325 NZ +63 1 Y 1 A GLU 344 . CD . A GLU 344 CD +64 1 Y 1 A GLU 344 . OE1 . A GLU 344 OE1 +65 1 Y 1 A GLU 344 . OE2 . A GLU 344 OE2 +66 1 Y 1 A GLU 350 . CD . A GLU 350 CD +67 1 Y 1 A GLU 350 . OE1 . A GLU 350 OE1 +68 1 Y 1 A GLU 350 . OE2 . A GLU 350 OE2 +69 1 Y 1 A MET 353 . SD . A MET 353 SD +70 1 Y 1 A MET 353 . CE . A MET 353 CE +71 1 Y 1 A ASP 365 . CG . A ASP 365 CG +72 1 Y 1 A ASP 365 . OD1 . A ASP 365 OD1 +73 1 Y 1 A ASP 365 . OD2 . A ASP 365 OD2 +74 1 Y 1 A ASN 382 . CG . A ASN 382 CG +75 1 Y 1 A ASN 382 . OD1 . A ASN 382 OD1 +76 1 Y 1 A ASN 382 . ND2 . A ASN 382 ND2 +77 1 Y 1 A LYS 413 . CE . A LYS 413 CE +78 1 Y 1 A LYS 413 . NZ . A LYS 413 NZ +79 1 Y 1 A GLU 434 . CD . A GLU 434 CD +80 1 Y 1 A GLU 434 . OE1 . A GLU 434 OE1 +81 1 Y 1 A GLU 434 . OE2 . A GLU 434 OE2 +82 1 Y 1 A GLU 455 . CG . A GLU 455 CG +83 1 Y 1 A GLU 455 . CD . A GLU 455 CD +84 1 Y 1 A GLU 455 . OE1 . A GLU 455 OE1 +85 1 Y 1 A GLU 455 . OE2 . A GLU 455 OE2 +86 1 Y 1 A GLU 461 . CD . A GLU 461 CD +87 1 Y 1 A GLU 461 . OE1 . A GLU 461 OE1 +88 1 Y 1 A GLU 461 . OE2 . A GLU 461 OE2 +89 1 Y 1 A LYS 478 . CE . A LYS 478 CE +90 1 Y 1 A LYS 478 . NZ . A LYS 478 NZ +91 1 Y 1 A GLU 484 . CD . A GLU 484 CD +92 1 Y 1 A GLU 484 . OE1 . A GLU 484 OE1 +93 1 Y 1 A GLU 484 . OE2 . A GLU 484 OE2 +94 1 Y 1 A LYS 498 . CG . A LYS 498 CG +95 1 Y 1 A LYS 498 . CD . A LYS 498 CD +96 1 Y 1 A LYS 498 . CE . A LYS 498 CE +97 1 Y 1 A LYS 498 . NZ . A LYS 498 NZ +98 1 Y 1 A GLU 499 . CD . A GLU 499 CD +99 1 Y 1 A GLU 499 . OE1 . A GLU 499 OE1 +100 1 Y 1 A GLU 499 . OE2 . A GLU 499 OE2 +101 1 Y 1 A GLU 508 . CD . A GLU 508 CD +102 1 Y 1 A GLU 508 . OE1 . A GLU 508 OE1 +103 1 Y 1 A GLU 508 . OE2 . A GLU 508 OE2 +104 1 Y 1 A LYS 511 . CD . A LYS 511 CD +105 1 Y 1 A LYS 511 . CE . A LYS 511 CE +106 1 Y 1 A LYS 511 . NZ . A LYS 511 NZ +107 1 Y 1 A ARG 515 . CZ . A ARG 515 CZ +108 1 Y 1 A ARG 515 . NH1 . A ARG 515 NH1 +109 1 Y 1 A ARG 515 . NH2 . A ARG 515 NH2 +110 1 Y 1 A GLN 526 . CD . A GLN 526 CD +111 1 Y 1 A GLN 526 . OE1 . A GLN 526 OE1 +112 1 Y 1 A GLN 526 . NE2 . A GLN 526 NE2 +113 1 Y 1 A ASN 533 . CG . A ASN 533 CG +114 1 Y 1 A ASN 533 . OD1 . A ASN 533 OD1 +115 1 Y 1 A ASN 533 . ND2 . A ASN 533 ND2 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 y 1 1 A ASP 1 ? A ASP 1 +2 y 1 1 A ASP 2 ? A ASP 2 +3 y 1 1 A HIS 3 ? A HIS 3 +4 y 1 1 A HIS 486 ? A HIS 486 +5 y 1 1 A SER 487 ? A SER 487 +6 y 1 1 A GLN 488 ? A GLN 488 +7 y 1 1 A GLU 489 ? A GLU 489 +8 y 1 1 A GLU 536 ? A GLU 536 +9 y 1 1 A THR 537 ? A THR 537 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.name +2 THA TACRINE +3 HOH water # -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 36 +_model_server_stats.io_time_ms 5 +_model_server_stats.parse_time_ms 54 +_model_server_stats.create_model_time_ms 37 +_model_server_stats.query_time_ms 234 +_model_server_stats.encode_time_ms 110 +_model_server_stats.element_count 4192 # diff --git a/src/test/resources/cif/1acj.cif.gz b/src/test/resources/cif/1acj.cif.gz index 2a698635b..7ff3be262 100644 Binary files a/src/test/resources/cif/1acj.cif.gz and b/src/test/resources/cif/1acj.cif.gz differ diff --git a/src/test/resources/cif/1j59.cif b/src/test/resources/cif/1j59.cif index 73b29167a..5d09a6444 100644 --- a/src/test/resources/cif/1j59.cif +++ b/src/test/resources/cif/1j59.cif @@ -1,1457 +1,1019 @@ data_1J59 # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:40:47' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id dkWGW_i5doR8jGjpmdxTBw +_model_server_result.datetime_utc '2022-06-14 23:43:44' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 1j59 # _entry.id 1J59 # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.2860000000000005 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer syn "5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)-3'" ? ? . ? ? ? -2 polymer syn "5'-D(*AP*TP*AP*TP*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G )-3'" ? ? . ? ? ? -3 polymer man 'CATABOLITE GENE ACTIVATOR PROTEIN (CAP)' ? ? . ? ? ? -4 non-polymer syn "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" ? ? . ? ? ? -5 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 1J59 +ndb PD0299 +rcsb RCSB001694 +wwpdb D_1000001694 # -_exptl.entry_id 1J59 -_exptl.method 'X-ray diffraction' +_pdbx_database_PDB_obs_spr.id SPRSDE +_pdbx_database_PDB_obs_spr.pdb_id 1J59 +_pdbx_database_PDB_obs_spr.replace_pdb_id 1BER +_pdbx_database_PDB_obs_spr.date 2002-03-01 +_pdbx_database_PDB_obs_spr.details . # -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 THR E 10 . HIS E 17 . THR A 10 HIS A 17 1 ? 8 -HELX_P HELX_P2 2 TYR E 99 . ILE E 106 . TYR A 99 ILE A 106 1 ? 8 -HELX_P HELX_P3 3 PRO E 110 . PHE E 136 . PRO A 110 PHE A 136 5 ? 27 -HELX_P HELX_P4 4 VAL E 139 . LYS E 152 . VAL A 139 LYS A 152 1 ? 14 -HELX_P HELX_P5 5 ARG E 169 . VAL E 176 . ARG A 169 VAL A 176 1 ? 8 -HELX_P HELX_P6 6 ARG E 180 . ASP E 192 . ARG A 180 ASP A 192 1 ? 13 -HELX_P HELX_P7 7 THR F 10 . SER F 16 . THR B 10 SER B 16 1 ? 7 -HELX_P HELX_P8 8 GLY F 74 . PHE F 76 . GLY B 74 PHE B 76 5 ? 3 -HELX_P HELX_P9 9 TYR F 99 . VAL F 108 . TYR B 99 VAL B 108 1 ? 10 -HELX_P HELX_P10 10 PRO F 110 . PHE F 136 . PRO B 110 PHE B 136 1 ? 27 -HELX_P HELX_P11 11 VAL F 139 . LEU F 150 . VAL B 139 LEU B 150 1 ? 12 -HELX_P HELX_P12 12 ARG F 169 . VAL F 176 . ARG B 169 VAL B 176 1 ? 8 -HELX_P HELX_P13 13 ARG F 180 . GLU F 191 . ARG B 180 GLU B 191 1 ? 12 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 1J59 +_pdbx_database_status.recvd_initial_deposition_date 2002-03-01 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -F 1 THR E 38 . LYS E 44 . ? THR A 38 LYS A 44 -A 2 VAL E 47 . LYS E 52 . ? VAL A 47 LYS A 52 -A 3 GLU E 58 . LEU E 64 . ? GLU A 58 LEU A 64 -A 1 TRP E 85 . ALA E 88 . ? TRP A 85 ALA A 88 -F 2 GLU E 93 . SER E 98 . ? GLU A 93 SER A 98 -B 1 MET E 163 . LYS E 166 . ? MET A 163 LYS A 166 -B 3 ILE E 196 . ALA E 198 . ? ILE A 196 ALA A 198 -B 2 LYS E 201 . VAL E 204 . ? LYS A 201 VAL A 204 -C 1 HIS F 19 . TYR F 23 . ? HIS B 19 TYR B 23 -C 3 THR F 38 . LYS F 44 . ? THR B 38 LYS B 44 -D 2 SER F 46 . LYS F 52 . ? SER B 46 LYS B 52 -D 3 GLU F 58 . ASN F 65 . ? GLU B 58 ASN B 65 -D 1 TRP F 85 . ALA F 88 . ? TRP B 85 ALA B 88 -C 2 CYS F 92 . SER F 98 . ? CYS B 92 SER B 98 -E 1 ILE F 196 . HIS F 199 . ? ILE B 196 HIS B 199 -E 2 LYS F 201 . VAL F 204 . ? LYS B 201 VAL B 204 +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Parkinson, G.' 1 . +'Wilson, C.' 2 . +'Gunasekera, A.' 3 . +'Ebright, Y.W.' 4 . +'Ebright, R.H.' 5 . +'Berman, H.M.' 6 . # -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details hexameric -_pdbx_struct_assembly.oligomeric_count 6 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N +_citation.book_publisher ? +_citation.country UK +_citation.id primary +_citation.journal_abbrev J.Mol.Biol. +_citation.journal_id_ASTM JMOBAK +_citation.journal_id_CSD 70 +_citation.journal_id_ISSN 0022-2836 +_citation.journal_volume 260 +_citation.page_first 395 +_citation.page_last 408 +_citation.title 'Structure of the CAP-DNA complex at 2.5 angstroms resolution: a complete picture of the protein-DNA interface.' +_citation.year 1996 +_citation.pdbx_database_id_DOI 10.1006/jmbi.1996.0409 +_citation.pdbx_database_id_PubMed 8757802 # -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1 -_pdbx_struct_oper_list.matrix[1][2] 0 -_pdbx_struct_oper_list.matrix[1][3] 0 -_pdbx_struct_oper_list.vector[1] 0 -_pdbx_struct_oper_list.matrix[2][1] 0 -_pdbx_struct_oper_list.matrix[2][2] 1 -_pdbx_struct_oper_list.matrix[2][3] 0 -_pdbx_struct_oper_list.vector[2] 0 -_pdbx_struct_oper_list.matrix[3][1] 0 -_pdbx_struct_oper_list.matrix[3][2] 0 -_pdbx_struct_oper_list.matrix[3][3] 1 -_pdbx_struct_oper_list.vector[3] 0 +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Parkinson, G.' 1 +primary 'Wilson, C.' 2 +primary 'Gunasekera, A.' 3 +primary 'Ebright, Y.W.' 4 +primary 'Ebright, R.E.' 5 +primary 'Berman, H.M.' 6 # +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 90 _cell.entry_id 1J59 _cell.length_a 136.99 _cell.length_b 152.8 _cell.length_c 76.06 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 90 _cell.Z_PDB 16 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 1J59 -_symmetry.space_group_name_H-M 'C 2 2 21' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 20 -_symmetry.space_group_name_Hall . +_symmetry.entry_id 1J59 +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 20 +_symmetry.space_group_name_Hall . +_symmetry.space_group_name_H-M 'C 2 2 21' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 4353.854 1 syn polymer "5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)-3'" 2 ? ? ? +? 5152.358 2 syn polymer "5'-D(*AP*TP*AP*TP*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G )-3'" 2 ? ? ? +? 23541.242 3 man polymer 'CATABOLITE GENE ACTIVATOR PROTEIN (CAP)' 2 ? ? ? +? 329.206 4 syn non-polymer "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" 2 ? ? ? +? 18.015 5 nat water water 286 ? ? ? # loop_ _entity_poly.entity_id -_entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer +_entity_poly.type +_entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -1 polydeoxyribonucleotide no no (DG)(DC)(DG)(DA)(DA)(DA)(DA)(DG)(DT)(DG)(DT)(DG)(DA)(DC) GCGAAAAGTGTGAC C,E -2 polydeoxyribonucleotide no no (DA)(DT)(DA)(DT)(DG)(DT)(DC)(DA)(DC)(DA)(DC)(DT)(DT)(DT)(DT)(DC)(DG) ATATGTCACACTTTTCG D,F -3 polypeptide(L) no no +_entity_poly.pdbx_target_identifier +1 no no polydeoxyribonucleotide C,E (DG)(DC)(DG)(DA)(DA)(DA)(DA)(DG)(DT)(DG)(DT)(DG)(DA)(DC) GCGAAAAGTGTGAC ? +2 no no polydeoxyribonucleotide D,F (DA)(DT)(DA)(DT)(DG)(DT)(DC)(DA)(DC)(DA)(DC)(DT)(DT)(DT)(DT)(DC)(DG) ATATGTCACACTTTTCG ? +3 no no polypeptide(L) A,B ;VLGKPQTDPTLEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQ ERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHP DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYGTR -; +; ;VLGKPQTDPTLEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQ ERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHP DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYGTR -; -A,B +; +? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 DG n -1 2 DC n -1 3 DG n -1 4 DA n -1 5 DA n -1 6 DA n -1 7 DA n -1 8 DG n -1 9 DT n -1 10 DG n -1 11 DT n -1 12 DG n -1 13 DA n -1 14 DC n -2 1 DA n -2 2 DT n -2 3 DA n -2 4 DT n -2 5 DG n -2 6 DT n -2 7 DC n -2 8 DA n -2 9 DC n -2 10 DA n -2 11 DC n -2 12 DT n -2 13 DT n -2 14 DT n -2 15 DT n -2 16 DC n -2 17 DG n -3 1 VAL n -3 2 LEU n -3 3 GLY n -3 4 LYS n -3 5 PRO n -3 6 GLN n -3 7 THR n -3 8 ASP n -3 9 PRO n -3 10 THR n -3 11 LEU n -3 12 GLU n -3 13 TRP n -3 14 PHE n -3 15 LEU n -3 16 SER n -3 17 HIS n -3 18 CYS n -3 19 HIS n -3 20 ILE n -3 21 HIS n -3 22 LYS n -3 23 TYR n -3 24 PRO n -3 25 SER n -3 26 LYS n -3 27 SER n -3 28 THR n -3 29 LEU n -3 30 ILE n -3 31 HIS n -3 32 GLN n -3 33 GLY n -3 34 GLU n -3 35 LYS n -3 36 ALA n -3 37 GLU n -3 38 THR n -3 39 LEU n -3 40 TYR n -3 41 TYR n -3 42 ILE n -3 43 VAL n -3 44 LYS n -3 45 GLY n -3 46 SER n -3 47 VAL n -3 48 ALA n -3 49 VAL n -3 50 LEU n -3 51 ILE n -3 52 LYS n -3 53 ASP n -3 54 GLU n -3 55 GLU n -3 56 GLY n -3 57 LYS n -3 58 GLU n -3 59 MET n -3 60 ILE n -3 61 LEU n -3 62 SER n -3 63 TYR n -3 64 LEU n -3 65 ASN n -3 66 GLN n -3 67 GLY n -3 68 ASP n -3 69 PHE n -3 70 ILE n -3 71 GLY n -3 72 GLU n -3 73 LEU n -3 74 GLY n -3 75 LEU n -3 76 PHE n -3 77 GLU n -3 78 GLU n -3 79 GLY n -3 80 GLN n -3 81 GLU n -3 82 ARG n -3 83 SER n -3 84 ALA n -3 85 TRP n -3 86 VAL n -3 87 ARG n -3 88 ALA n -3 89 LYS n -3 90 THR n -3 91 ALA n -3 92 CYS n -3 93 GLU n -3 94 VAL n -3 95 ALA n -3 96 GLU n -3 97 ILE n -3 98 SER n -3 99 TYR n -3 100 LYS n -3 101 LYS n -3 102 PHE n -3 103 ARG n -3 104 GLN n -3 105 LEU n -3 106 ILE n -3 107 GLN n -3 108 VAL n -3 109 ASN n -3 110 PRO n -3 111 ASP n -3 112 ILE n -3 113 LEU n -3 114 MET n -3 115 ARG n -3 116 LEU n -3 117 SER n -3 118 ALA n -3 119 GLN n -3 120 MET n -3 121 ALA n -3 122 ARG n -3 123 ARG n -3 124 LEU n -3 125 GLN n -3 126 VAL n -3 127 THR n -3 128 SER n -3 129 GLU n -3 130 LYS n -3 131 VAL n -3 132 GLY n -3 133 ASN n -3 134 LEU n -3 135 ALA n -3 136 PHE n -3 137 LEU n -3 138 ASP n -3 139 VAL n -3 140 THR n -3 141 GLY n -3 142 ARG n -3 143 ILE n -3 144 ALA n -3 145 GLN n -3 146 THR n -3 147 LEU n -3 148 LEU n -3 149 ASN n -3 150 LEU n -3 151 ALA n -3 152 LYS n -3 153 GLN n -3 154 PRO n -3 155 ASP n -3 156 ALA n -3 157 MET n -3 158 THR n -3 159 HIS n -3 160 PRO n -3 161 ASP n -3 162 GLY n -3 163 MET n -3 164 GLN n -3 165 ILE n -3 166 LYS n -3 167 ILE n -3 168 THR n -3 169 ARG n -3 170 GLN n -3 171 GLU n -3 172 ILE n -3 173 GLY n -3 174 GLN n -3 175 ILE n -3 176 VAL n -3 177 GLY n -3 178 CYS n -3 179 SER n -3 180 ARG n -3 181 GLU n -3 182 THR n -3 183 VAL n -3 184 GLY n -3 185 ARG n -3 186 ILE n -3 187 LEU n -3 188 LYS n -3 189 MET n -3 190 LEU n -3 191 GLU n -3 192 ASP n -3 193 GLN n -3 194 ASN n -3 195 LEU n -3 196 ILE n -3 197 SER n -3 198 ALA n -3 199 HIS n -3 200 GLY n -3 201 LYS n -3 202 THR n -3 203 ILE n -3 204 VAL n -3 205 VAL n -3 206 TYR n -3 207 GLY n -3 208 THR n -3 209 ARG n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DG 1 +1 n DC 2 +1 n DG 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DT 9 +1 n DG 10 +1 n DT 11 +1 n DG 12 +1 n DA 13 +1 n DC 14 +2 n DA 1 +2 n DT 2 +2 n DA 3 +2 n DT 4 +2 n DG 5 +2 n DT 6 +2 n DC 7 +2 n DA 8 +2 n DC 9 +2 n DA 10 +2 n DC 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DT 15 +2 n DC 16 +2 n DG 17 +3 n VAL 1 +3 n LEU 2 +3 n GLY 3 +3 n LYS 4 +3 n PRO 5 +3 n GLN 6 +3 n THR 7 +3 n ASP 8 +3 n PRO 9 +3 n THR 10 +3 n LEU 11 +3 n GLU 12 +3 n TRP 13 +3 n PHE 14 +3 n LEU 15 +3 n SER 16 +3 n HIS 17 +3 n CYS 18 +3 n HIS 19 +3 n ILE 20 +3 n HIS 21 +3 n LYS 22 +3 n TYR 23 +3 n PRO 24 +3 n SER 25 +3 n LYS 26 +3 n SER 27 +3 n THR 28 +3 n LEU 29 +3 n ILE 30 +3 n HIS 31 +3 n GLN 32 +3 n GLY 33 +3 n GLU 34 +3 n LYS 35 +3 n ALA 36 +3 n GLU 37 +3 n THR 38 +3 n LEU 39 +3 n TYR 40 +3 n TYR 41 +3 n ILE 42 +3 n VAL 43 +3 n LYS 44 +3 n GLY 45 +3 n SER 46 +3 n VAL 47 +3 n ALA 48 +3 n VAL 49 +3 n LEU 50 +3 n ILE 51 +3 n LYS 52 +3 n ASP 53 +3 n GLU 54 +3 n GLU 55 +3 n GLY 56 +3 n LYS 57 +3 n GLU 58 +3 n MET 59 +3 n ILE 60 +3 n LEU 61 +3 n SER 62 +3 n TYR 63 +3 n LEU 64 +3 n ASN 65 +3 n GLN 66 +3 n GLY 67 +3 n ASP 68 +3 n PHE 69 +3 n ILE 70 +3 n GLY 71 +3 n GLU 72 +3 n LEU 73 +3 n GLY 74 +3 n LEU 75 +3 n PHE 76 +3 n GLU 77 +3 n GLU 78 +3 n GLY 79 +3 n GLN 80 +3 n GLU 81 +3 n ARG 82 +3 n SER 83 +3 n ALA 84 +3 n TRP 85 +3 n VAL 86 +3 n ARG 87 +3 n ALA 88 +3 n LYS 89 +3 n THR 90 +3 n ALA 91 +3 n CYS 92 +3 n GLU 93 +3 n VAL 94 +3 n ALA 95 +3 n GLU 96 +3 n ILE 97 +3 n SER 98 +3 n TYR 99 +3 n LYS 100 +3 n LYS 101 +3 n PHE 102 +3 n ARG 103 +3 n GLN 104 +3 n LEU 105 +3 n ILE 106 +3 n GLN 107 +3 n VAL 108 +3 n ASN 109 +3 n PRO 110 +3 n ASP 111 +3 n ILE 112 +3 n LEU 113 +3 n MET 114 +3 n ARG 115 +3 n LEU 116 +3 n SER 117 +3 n ALA 118 +3 n GLN 119 +3 n MET 120 +3 n ALA 121 +3 n ARG 122 +3 n ARG 123 +3 n LEU 124 +3 n GLN 125 +3 n VAL 126 +3 n THR 127 +3 n SER 128 +3 n GLU 129 +3 n LYS 130 +3 n VAL 131 +3 n GLY 132 +3 n ASN 133 +3 n LEU 134 +3 n ALA 135 +3 n PHE 136 +3 n LEU 137 +3 n ASP 138 +3 n VAL 139 +3 n THR 140 +3 n GLY 141 +3 n ARG 142 +3 n ILE 143 +3 n ALA 144 +3 n GLN 145 +3 n THR 146 +3 n LEU 147 +3 n LEU 148 +3 n ASN 149 +3 n LEU 150 +3 n ALA 151 +3 n LYS 152 +3 n GLN 153 +3 n PRO 154 +3 n ASP 155 +3 n ALA 156 +3 n MET 157 +3 n THR 158 +3 n HIS 159 +3 n PRO 160 +3 n ASP 161 +3 n GLY 162 +3 n MET 163 +3 n GLN 164 +3 n ILE 165 +3 n LYS 166 +3 n ILE 167 +3 n THR 168 +3 n ARG 169 +3 n GLN 170 +3 n GLU 171 +3 n ILE 172 +3 n GLY 173 +3 n GLN 174 +3 n ILE 175 +3 n VAL 176 +3 n GLY 177 +3 n CYS 178 +3 n SER 179 +3 n ARG 180 +3 n GLU 181 +3 n THR 182 +3 n VAL 183 +3 n GLY 184 +3 n ARG 185 +3 n ILE 186 +3 n LEU 187 +3 n LYS 188 +3 n MET 189 +3 n LEU 190 +3 n GLU 191 +3 n ASP 192 +3 n GLN 193 +3 n ASN 194 +3 n LEU 195 +3 n ILE 196 +3 n SER 197 +3 n ALA 198 +3 n HIS 199 +3 n GLY 200 +3 n LYS 201 +3 n THR 202 +3 n ILE 203 +3 n VAL 204 +3 n VAL 205 +3 n TYR 206 +3 n GLY 207 +3 n THR 208 +3 n ARG 209 +# +_entity_src_gen.entity_id 3 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? # loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +1 UNP CRP_ECOLI 3 . . P0ACJ8 . +2 PDB 1J59 1 . . 1J59 . +3 PDB 1J59 2 . . 1J59 . +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1J59 A 1 . 209 . P0ACJ8 2 . 210 . 1 209 +2 1 1J59 B 1 . 209 . P0ACJ8 2 . 210 . 1 209 +3 2 1J59 C 1 . 14 . 1J59 -5 . 9 . -5 9 +4 3 1J59 D 1 . 17 . 1J59 10 . 26 . 10 26 +5 2 1J59 E 1 . 14 . 1J59 27 . 14 . 27 14 +6 3 1J59 F 1 . 17 . 1J59 13 . -4 . 13 -4 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? +'C10 H12 N5 O6 P' 329.206 CMP . "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" non-polymer 'CYCLIC AMP;CAMP' +'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? +'C10 H14 N5 O6 P' 331.222 DA y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" 'dna linking' ? +'C9 H14 N3 O7 P' 307.197 DC y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" 'dna linking' ? +'C10 H14 N5 O7 P' 347.221 DG y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" 'dna linking' ? +'C10 H15 N2 O8 P' 322.208 DT y "THYMIDINE-5'-MONOPHOSPHATE" 'dna linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? +'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? +# +_exptl.entry_id 1J59 +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 3.5 +_exptl_crystal.density_percent_sol 58.71 +_exptl_crystal.description . +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method . +_exptl_crystal_grow.temp . +_exptl_crystal_grow.temp_details . +_exptl_crystal_grow.pH 6.5 +_exptl_crystal_grow.pdbx_details 'pH 6.50' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp . +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type FUJI +_diffrn_detector.pdbx_collection_date 1992-11-01 +_diffrn_detector.details . +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.91 +_diffrn_radiation_wavelength.wt 1 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'CHESS BEAMLINE F1' +_diffrn_source.pdbx_synchrotron_site CHESS +_diffrn_source.pdbx_synchrotron_beamline F1 +_diffrn_source.pdbx_wavelength 0.91 +_diffrn_source.pdbx_wavelength_list . +# +_reflns.entry_id 1J59 +_reflns.observed_criterion_sigma_I . +_reflns.observed_criterion_sigma_F . +_reflns.d_resolution_low 30 +_reflns.d_resolution_high 2.5 +_reflns.number_obs 23876 +_reflns.number_all . +_reflns.percent_possible_obs 85.4 +_reflns.pdbx_Rmerge_I_obs 0.1147 +_reflns.pdbx_Rsym_value . +_reflns.pdbx_netI_over_sigmaI 2 +_reflns.B_iso_Wilson_estimate . +_reflns.pdbx_redundancy . +_reflns.R_free_details . +_reflns.limit_h_max . +_reflns.limit_h_min . +_reflns.limit_k_max . +_reflns.limit_k_min . +_reflns.limit_l_max . +_reflns.limit_l_min . +_reflns.observed_criterion_F_max . +_reflns.observed_criterion_F_min . +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_refine.entry_id 1J59 +_refine.ls_number_reflns_obs 23644 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F 2 +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 10 +_refine.ls_d_res_high 2.5 +_refine.ls_percent_reflns_obs 86 +_refine.ls_R_factor_obs 0.199 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work 0.199 +_refine.ls_R_factor_R_free 0.279 +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free . +_refine.ls_number_reflns_R_free . +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.B_iso_mean 30.900000000000002 +_refine.aniso_B[1][1] . +_refine.aniso_B[2][2] . +_refine.aniso_B[3][3] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][3] . +_refine.solvent_model_details . +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_solvent_vdw_probe_radii . +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii . +_refine.pdbx_ls_cross_valid_method . +_refine.details . +_refine.pdbx_starting_model . +_refine.pdbx_method_to_determine_struct . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.overall_SU_ML . +_refine.overall_SU_B . +_refine.ls_redundancy_reflns_obs . +_refine.overall_SU_R_Cruickshank_DPI . +_refine.overall_SU_R_free . +_refine.B_iso_min . +_refine.B_iso_max . +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag . +_refine.pdbx_overall_phase_error . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 3128 +_refine_hist.pdbx_number_atoms_nucleic_acid 1262 +_refine_hist.pdbx_number_atoms_ligand 42 +_refine_hist.number_atoms_solvent 286 +_refine_hist.number_atoms_total 4718 +_refine_hist.d_res_high 2.5 +_refine_hist.d_res_low 10 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.017 . . . 'X-RAY DIFFRACTION' . +x_bond_d_na . . . . 'X-RAY DIFFRACTION' . +x_bond_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_d . . . . 'X-RAY DIFFRACTION' . +x_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_deg 2.27 . . . 'X-RAY DIFFRACTION' . +x_angle_deg_na . . . . 'X-RAY DIFFRACTION' . +x_angle_deg_prot . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d 22.900000000000002 . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d 1.4000000000000001 . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_mcbond_it . . . . 'X-RAY DIFFRACTION' . +x_mcangle_it . . . . 'X-RAY DIFFRACTION' . +x_scbond_it . . . . 'X-RAY DIFFRACTION' . +x_scangle_it . . . . 'X-RAY DIFFRACTION' . +# +_struct.entry_id 1J59 +_struct.title "CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" +_struct.pdbx_descriptor "CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA Complex, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" +# +_struct_keywords.entry_id 1J59 +_struct_keywords.text 'PROTEIN-DNA COMPLEX,GENE-REGULATORY,GENE REGULATION-DNA COMPLEX' +_struct_keywords.pdbx_keywords 'GENE REGULATION/DNA' +# +loop_ +_struct_asym.details +_struct_asym.entity_id _struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' -C N Y 1 'Might not contain all original atoms depending on the query used' -D N Y 2 'Might not contain all original atoms depending on the query used' -E N Y 3 'Might not contain all original atoms depending on the query used' -F N Y 3 'Might not contain all original atoms depending on the query used' -G N Y 4 'Might not contain all original atoms depending on the query used' -H N Y 4 'Might not contain all original atoms depending on the query used' -I N Y 5 'Might not contain all original atoms depending on the query used' -J N Y 5 'Might not contain all original atoms depending on the query used' -K N Y 5 'Might not contain all original atoms depending on the query used' -L N Y 5 'Might not contain all original atoms depending on the query used' -M N Y 5 'Might not contain all original atoms depending on the query used' -N N Y 5 'Might not contain all original atoms depending on the query used' +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +? 1 C N N +? 2 D N N +? 3 E N N +? 3 F N N +? 4 G N N +? 4 H N N +? 5 I N N +? 5 J N N +? 5 K N N +? 5 L N N +? 5 M N N +? 5 N N N +# +_struct_biol.id 1 +_struct_biol.pdbx_parent_biol_id . +_struct_biol.details . +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_entity_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_auth_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.end_label_asym_id +_struct_conf.end_label_entity_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_auth_asym_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +helx_p helx_p1 THR 10 . E 3 THR 10 A HIS 17 . E 3 HIS 17 A 1 ? 8 +helx_p helx_p2 TYR 99 . E 3 TYR 99 A ILE 106 . E 3 ILE 106 A 1 ? 8 +helx_p helx_p3 PRO 110 . E 3 PRO 110 A PHE 136 . E 3 PHE 136 A 5 ? 27 +helx_p helx_p4 VAL 139 . E 3 VAL 139 A LYS 152 . E 3 LYS 152 A 1 ? 14 +helx_p helx_p5 ARG 169 . E 3 ARG 169 A VAL 176 . E 3 VAL 176 A 1 ? 8 +helx_p helx_p6 ARG 180 . E 3 ARG 180 A ASP 192 . E 3 ASP 192 A 1 ? 13 +helx_p helx_p7 THR 10 . F 3 THR 10 B SER 16 . F 3 SER 16 B 1 ? 7 +helx_p helx_p8 GLY 74 . F 3 GLY 74 B PHE 76 . F 3 PHE 76 B 5 ? 3 +helx_p helx_p9 TYR 99 . F 3 TYR 99 B VAL 108 . F 3 VAL 108 B 1 ? 10 +helx_p helx_p10 PRO 110 . F 3 PRO 110 B PHE 136 . F 3 PHE 136 B 1 ? 27 +helx_p helx_p11 VAL 139 . F 3 VAL 139 B LEU 150 . F 3 LEU 150 B 1 ? 12 +helx_p helx_p12 ARG 169 . F 3 ARG 169 B VAL 176 . F 3 VAL 176 B 1 ? 8 +helx_p helx_p13 ARG 180 . F 3 ARG 180 B GLU 191 . F 3 GLU 191 B 1 ? 12 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . # loop_ -_struct_conn.id _struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id +_struct_conn.details +_struct_conn.id _struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details +_struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order -hydrog1 hydrog ? A DC 2 N3 ? ? ? 1_555 D DG 17 N1 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog2 hydrog ? A DC 2 N4 ? ? ? 1_555 D DG 17 O6 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog3 hydrog ? A DC 2 O2 ? ? ? 1_555 D DG 17 N2 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog4 hydrog ? A DG 3 N1 ? ? ? 1_555 D DC 16 N3 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog5 hydrog ? A DG 3 N2 ? ? ? 1_555 D DC 16 O2 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog6 hydrog ? A DG 3 O6 ? ? ? 1_555 D DC 16 N4 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog7 hydrog ? A DA 4 N1 ? ? ? 1_555 D DT 15 N3 ? ? C DA -2 F DT -2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog8 hydrog ? A DA 4 N6 ? ? ? 1_555 D DT 15 O4 ? ? C DA -2 F DT -2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog9 hydrog ? A DA 5 N1 ? ? ? 1_555 D DT 14 N3 ? ? C DA -1 F DT -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog10 hydrog ? A DA 5 N6 ? ? ? 1_555 D DT 14 O4 ? ? C DA -1 F DT -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog11 hydrog ? A DA 6 N1 ? ? ? 1_555 D DT 13 N3 ? ? C DA 1 F DT 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog12 hydrog ? A DA 6 N6 ? ? ? 1_555 D DT 13 O4 ? ? C DA 1 F DT 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog13 hydrog ? A DA 7 N1 ? ? ? 1_555 D DT 12 N3 ? ? C DA 2 F DT 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog14 hydrog ? A DA 7 N6 ? ? ? 1_555 D DT 12 O4 ? ? C DA 2 F DT 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog15 hydrog ? A DG 8 N1 ? ? ? 1_555 D DC 11 N3 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog16 hydrog ? A DG 8 N2 ? ? ? 1_555 D DC 11 O2 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog17 hydrog ? A DG 8 O6 ? ? ? 1_555 D DC 11 N4 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog18 hydrog ? A DT 9 N3 ? ? ? 1_555 D DA 10 N1 ? ? C DT 4 F DA 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog19 hydrog ? A DT 9 O4 ? ? ? 1_555 D DA 10 N6 ? ? C DT 4 F DA 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog20 hydrog ? A DG 10 N1 ? ? ? 1_555 D DC 9 N3 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog21 hydrog ? A DG 10 N2 ? ? ? 1_555 D DC 9 O2 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog22 hydrog ? A DG 10 O6 ? ? ? 1_555 D DC 9 N4 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog23 hydrog ? A DT 11 N3 ? ? ? 1_555 D DA 8 N1 ? ? C DT 6 F DA 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog24 hydrog ? A DT 11 O4 ? ? ? 1_555 D DA 8 N6 ? ? C DT 6 F DA 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog25 hydrog ? A DG 12 N1 ? ? ? 1_555 D DC 7 N3 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog26 hydrog ? A DG 12 N2 ? ? ? 1_555 D DC 7 O2 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog27 hydrog ? A DG 12 O6 ? ? ? 1_555 D DC 7 N4 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog28 hydrog ? A DA 13 N1 ? ? ? 1_555 D DT 6 N3 ? ? C DA 8 F DT 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog29 hydrog ? A DA 13 N6 ? ? ? 1_555 D DT 6 O4 ? ? C DA 8 F DT 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog30 hydrog ? A DC 14 N3 ? ? ? 1_555 D DG 5 N1 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog31 hydrog ? A DC 14 N4 ? ? ? 1_555 D DG 5 O6 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog32 hydrog ? A DC 14 O2 ? ? ? 1_555 D DG 5 N2 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog33 hydrog ? B DA 1 N1 ? ? ? 1_555 D DT 4 N3 ? ? D DA 10 F DT 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog34 hydrog ? B DA 1 N6 ? ? ? 1_555 D DT 4 O4 ? ? D DA 10 F DT 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog35 hydrog ? B DT 2 N3 ? ? ? 1_555 D DA 3 N1 ? ? D DT 11 F DA 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog36 hydrog ? B DT 2 O4 ? ? ? 1_555 D DA 3 N6 ? ? D DT 11 F DA 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog37 hydrog ? B DA 3 N6 ? ? ? 1_555 D DA 1 N1 ? ? D DA 12 F DA 13 1_555 ? ? ? ? ? ? 'DA-DA MISPAIR' ? ? -hydrog38 hydrog ? B DA 3 N1 ? ? ? 1_555 D DT 2 N3 ? ? D DA 12 F DT 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog39 hydrog ? B DA 3 N6 ? ? ? 1_555 D DT 2 O4 ? ? D DA 12 F DT 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog40 hydrog ? B DT 4 N3 ? ? ? 1_555 D DA 1 N1 ? ? D DT 13 F DA 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog41 hydrog ? B DT 4 O4 ? ? ? 1_555 D DA 1 N6 ? ? D DT 13 F DA 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog42 hydrog ? B DG 5 N1 ? ? ? 1_555 C DC 14 N3 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog43 hydrog ? B DG 5 N2 ? ? ? 1_555 C DC 14 O2 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog44 hydrog ? B DG 5 O6 ? ? ? 1_555 C DC 14 N4 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog45 hydrog ? B DT 6 N3 ? ? ? 1_555 C DA 13 N1 ? ? D DT 15 E DA 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog46 hydrog ? B DT 6 O4 ? ? ? 1_555 C DA 13 N6 ? ? D DT 15 E DA 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog47 hydrog ? B DC 7 N3 ? ? ? 1_555 C DG 12 N1 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog48 hydrog ? B DC 7 N4 ? ? ? 1_555 C DG 12 O6 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog49 hydrog ? B DC 7 O2 ? ? ? 1_555 C DG 12 N2 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog50 hydrog ? B DA 8 N1 ? ? ? 1_555 C DT 11 N3 ? ? D DA 17 E DT 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog51 hydrog ? B DA 8 N6 ? ? ? 1_555 C DT 11 O4 ? ? D DA 17 E DT 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog52 hydrog ? B DC 9 N4 ? ? ? 1_555 C DT 9 O4 ? ? D DC 18 E DT 19 1_555 ? ? ? ? ? ? 'DC-DT MISPAIR' ? ? -hydrog53 hydrog ? B DC 9 N3 ? ? ? 1_555 C DG 10 N1 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog54 hydrog ? B DC 9 N4 ? ? ? 1_555 C DG 10 O6 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog55 hydrog ? B DC 9 O2 ? ? ? 1_555 C DG 10 N2 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog56 hydrog ? B DA 10 N1 ? ? ? 1_555 C DT 9 N3 ? ? D DA 19 E DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog57 hydrog ? B DA 10 N6 ? ? ? 1_555 C DT 9 O4 ? ? D DA 19 E DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog58 hydrog ? B DC 11 N3 ? ? ? 1_555 C DA 7 N6 ? ? D DC 20 E DA 21 1_555 ? ? ? ? ? ? 'DC-DA MISPAIR' ? ? -hydrog59 hydrog ? B DC 11 N3 ? ? ? 1_555 C DG 8 N1 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog60 hydrog ? B DC 11 N4 ? ? ? 1_555 C DG 8 O6 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog61 hydrog ? B DC 11 O2 ? ? ? 1_555 C DG 8 N2 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog62 hydrog ? B DT 12 O4 ? ? ? 1_555 C DA 6 N6 ? ? D DT 21 E DA 22 1_555 ? ? ? ? ? ? 'DT-DA PAIR' ? ? -hydrog63 hydrog ? B DT 12 N3 ? ? ? 1_555 C DA 7 N1 ? ? D DT 21 E DA 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog64 hydrog ? B DT 12 O4 ? ? ? 1_555 C DA 7 N6 ? ? D DT 21 E DA 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog65 hydrog ? B DT 13 O4 ? ? ? 1_555 C DA 5 N6 ? ? D DT 22 E DA 23 1_555 ? ? ? ? ? ? 'DT-DA PAIR' ? ? -hydrog66 hydrog ? B DT 13 N3 ? ? ? 1_555 C DA 6 N1 ? ? D DT 22 E DA 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog67 hydrog ? B DT 13 O4 ? ? ? 1_555 C DA 6 N6 ? ? D DT 22 E DA 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog68 hydrog ? B DT 14 N3 ? ? ? 1_555 C DA 5 N1 ? ? D DT 23 E DA 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog69 hydrog ? B DT 14 O4 ? ? ? 1_555 C DA 5 N6 ? ? D DT 23 E DA 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog70 hydrog ? B DT 15 N3 ? ? ? 1_555 C DA 4 N1 ? ? D DT 24 E DA 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog71 hydrog ? B DT 15 O4 ? ? ? 1_555 C DA 4 N6 ? ? D DT 24 E DA 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog72 hydrog ? B DC 16 N3 ? ? ? 1_555 C DG 3 N1 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog73 hydrog ? B DC 16 N4 ? ? ? 1_555 C DG 3 O6 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog74 hydrog ? B DC 16 O2 ? ? ? 1_555 C DG 3 N2 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog75 hydrog ? B DG 17 N1 ? ? ? 1_555 C DC 2 N3 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog76 hydrog ? B DG 17 N2 ? ? ? 1_555 C DC 2 O2 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog77 hydrog ? B DG 17 O6 ? ? ? 1_555 C DC 2 N4 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? +hydrog WATSON-CRICK hydrog1 A N3 DC 2 C DC -4 1_555 D N1 DG 17 F DG -4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog2 A N4 DC 2 C DC -4 1_555 D O6 DG 17 F DG -4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog3 A O2 DC 2 C DC -4 1_555 D N2 DG 17 F DG -4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog4 A N1 DG 3 C DG -3 1_555 D N3 DC 16 F DC -3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog5 A N2 DG 3 C DG -3 1_555 D O2 DC 16 F DC -3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog6 A O6 DG 3 C DG -3 1_555 D N4 DC 16 F DC -3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog7 A N1 DA 4 C DA -2 1_555 D N3 DT 15 F DT -2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog8 A N6 DA 4 C DA -2 1_555 D O4 DT 15 F DT -2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog9 A N1 DA 5 C DA -1 1_555 D N3 DT 14 F DT -1 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog10 A N6 DA 5 C DA -1 1_555 D O4 DT 14 F DT -1 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog11 A N1 DA 6 C DA 1 1_555 D N3 DT 13 F DT 1 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog12 A N6 DA 6 C DA 1 1_555 D O4 DT 13 F DT 1 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog13 A N1 DA 7 C DA 2 1_555 D N3 DT 12 F DT 2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog14 A N6 DA 7 C DA 2 1_555 D O4 DT 12 F DT 2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog15 A N1 DG 8 C DG 3 1_555 D N3 DC 11 F DC 3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog16 A N2 DG 8 C DG 3 1_555 D O2 DC 11 F DC 3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog17 A O6 DG 8 C DG 3 1_555 D N4 DC 11 F DC 3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog18 A N3 DT 9 C DT 4 1_555 D N1 DA 10 F DA 4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog19 A O4 DT 9 C DT 4 1_555 D N6 DA 10 F DA 4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog20 A N1 DG 10 C DG 5 1_555 D N3 DC 9 F DC 5 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog21 A N2 DG 10 C DG 5 1_555 D O2 DC 9 F DC 5 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog22 A O6 DG 10 C DG 5 1_555 D N4 DC 9 F DC 5 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog23 A N3 DT 11 C DT 6 1_555 D N1 DA 8 F DA 6 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog24 A O4 DT 11 C DT 6 1_555 D N6 DA 8 F DA 6 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog25 A N1 DG 12 C DG 7 1_555 D N3 DC 7 F DC 7 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog26 A N2 DG 12 C DG 7 1_555 D O2 DC 7 F DC 7 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog27 A O6 DG 12 C DG 7 1_555 D N4 DC 7 F DC 7 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog28 A N1 DA 13 C DA 8 1_555 D N3 DT 6 F DT 8 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog29 A N6 DA 13 C DA 8 1_555 D O4 DT 6 F DT 8 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog30 A N3 DC 14 C DC 9 1_555 D N1 DG 5 F DG 9 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog31 A N4 DC 14 C DC 9 1_555 D O6 DG 5 F DG 9 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog32 A O2 DC 14 C DC 9 1_555 D N2 DG 5 F DG 9 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog33 B N1 DA 1 D DA 10 1_555 D N3 DT 4 F DT 10 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog34 B N6 DA 1 D DA 10 1_555 D O4 DT 4 F DT 10 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog35 B N3 DT 2 D DT 11 1_555 D N1 DA 3 F DA 11 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog36 B O4 DT 2 D DT 11 1_555 D N6 DA 3 F DA 11 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DA-DA MISPAIR' hydrog37 B N6 DA 3 D DA 12 1_555 D N1 DA 1 F DA 13 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog38 B N1 DA 3 D DA 12 1_555 D N3 DT 2 F DT 12 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog39 B N6 DA 3 D DA 12 1_555 D O4 DT 2 F DT 12 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog40 B N3 DT 4 D DT 13 1_555 D N1 DA 1 F DA 13 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog41 B O4 DT 4 D DT 13 1_555 D N6 DA 1 F DA 13 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog42 B N1 DG 5 D DG 14 1_555 C N3 DC 14 E DC 14 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog43 B N2 DG 5 D DG 14 1_555 C O2 DC 14 E DC 14 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog44 B O6 DG 5 D DG 14 1_555 C N4 DC 14 E DC 14 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog45 B N3 DT 6 D DT 15 1_555 C N1 DA 13 E DA 15 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog46 B O4 DT 6 D DT 15 1_555 C N6 DA 13 E DA 15 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog47 B N3 DC 7 D DC 16 1_555 C N1 DG 12 E DG 16 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog48 B N4 DC 7 D DC 16 1_555 C O6 DG 12 E DG 16 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog49 B O2 DC 7 D DC 16 1_555 C N2 DG 12 E DG 16 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog50 B N1 DA 8 D DA 17 1_555 C N3 DT 11 E DT 17 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog51 B N6 DA 8 D DA 17 1_555 C O4 DT 11 E DT 17 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DC-DT MISPAIR' hydrog52 B N4 DC 9 D DC 18 1_555 C O4 DT 9 E DT 19 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog53 B N3 DC 9 D DC 18 1_555 C N1 DG 10 E DG 18 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog54 B N4 DC 9 D DC 18 1_555 C O6 DG 10 E DG 18 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog55 B O2 DC 9 D DC 18 1_555 C N2 DG 10 E DG 18 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog56 B N1 DA 10 D DA 19 1_555 C N3 DT 9 E DT 19 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog57 B N6 DA 10 D DA 19 1_555 C O4 DT 9 E DT 19 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DC-DA MISPAIR' hydrog58 B N3 DC 11 D DC 20 1_555 C N6 DA 7 E DA 21 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog59 B N3 DC 11 D DC 20 1_555 C N1 DG 8 E DG 20 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog60 B N4 DC 11 D DC 20 1_555 C O6 DG 8 E DG 20 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog61 B O2 DC 11 D DC 20 1_555 C N2 DG 8 E DG 20 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DT-DA PAIR' hydrog62 B O4 DT 12 D DT 21 1_555 C N6 DA 6 E DA 22 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog63 B N3 DT 12 D DT 21 1_555 C N1 DA 7 E DA 21 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog64 B O4 DT 12 D DT 21 1_555 C N6 DA 7 E DA 21 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DT-DA PAIR' hydrog65 B O4 DT 13 D DT 22 1_555 C N6 DA 5 E DA 23 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog66 B N3 DT 13 D DT 22 1_555 C N1 DA 6 E DA 22 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog67 B O4 DT 13 D DT 22 1_555 C N6 DA 6 E DA 22 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog68 B N3 DT 14 D DT 23 1_555 C N1 DA 5 E DA 23 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog69 B O4 DT 14 D DT 23 1_555 C N6 DA 5 E DA 23 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog70 B N3 DT 15 D DT 24 1_555 C N1 DA 4 E DA 24 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog71 B O4 DT 15 D DT 24 1_555 C N6 DA 4 E DA 24 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog72 B N3 DC 16 D DC 25 1_555 C N1 DG 3 E DG 25 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog73 B N4 DC 16 D DC 25 1_555 C O6 DG 3 E DG 25 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog74 B O2 DC 16 D DC 25 1_555 C N2 DG 3 E DG 25 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog75 B N1 DG 17 D DG 26 1_555 C N3 DC 2 E DC 26 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog76 B N2 DG 17 D DG 26 1_555 C O2 DC 2 E DC 26 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog77 B O6 DG 17 D DG 26 1_555 C N4 DC 2 E DC 26 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? # -_struct_conn_type.id hydrog _struct_conn_type.criteria ? +_struct_conn_type.id hydrog _struct_conn_type.reference ? # loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ARG N 1 N N CA SING -ARG N 2 N N H SING -ARG N 3 N N H2 SING -ARG N 4 N CA C SING -ARG N 5 N CA CB SING -ARG N 6 N CA HA SING -ARG N 7 N C O DOUB -ARG N 8 N C OXT SING -ARG N 9 N CB CG SING -ARG N 10 N CB HB2 SING -ARG N 11 N CB HB3 SING -ARG N 12 N CG CD SING -ARG N 13 N CG HG2 SING -ARG N 14 N CG HG3 SING -ARG N 15 N CD NE SING -ARG N 16 N CD HD2 SING -ARG N 17 N CD HD3 SING -ARG N 18 N NE CZ SING -ARG N 19 N NE HE SING -ARG N 20 N CZ NH1 SING -ARG N 21 N CZ NH2 DOUB -ARG N 22 N NH1 HH11 SING -ARG N 23 N NH1 HH12 SING -ARG N 24 N NH2 HH21 SING -ARG N 25 N NH2 HH22 SING -ARG N 26 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -ASP N 1 N N CA SING -ASP N 2 N N H SING -ASP N 3 N N H2 SING -ASP N 4 N CA C SING -ASP N 5 N CA CB SING -ASP N 6 N CA HA SING -ASP N 7 N C O DOUB -ASP N 8 N C OXT SING -ASP N 9 N CB CG SING -ASP N 10 N CB HB2 SING -ASP N 11 N CB HB3 SING -ASP N 12 N CG OD1 DOUB -ASP N 13 N CG OD2 SING -ASP N 14 N OD2 HD2 SING -ASP N 15 N OXT HXT SING -CMP N 1 N P O1P DOUB -CMP N 2 N P O2P SING -CMP N 3 N P O5' SING -CMP N 4 N P O3' SING -CMP N 5 N O2P HOP2 SING -CMP N 6 N O5' C5' SING -CMP N 7 N C5' C4' SING -CMP N 8 N C5' "H5'1" SING -CMP N 9 N C5' "H5'2" SING -CMP N 10 N C4' O4' SING -CMP N 11 N C4' C3' SING -CMP N 12 N C4' H4' SING -CMP N 13 N O4' C1' SING -CMP N 14 N C3' O3' SING -CMP N 15 N C3' C2' SING -CMP N 16 N C3' H3' SING -CMP N 17 N C2' O2' SING -CMP N 18 N C2' C1' SING -CMP N 19 N C2' H2' SING -CMP N 20 N O2' HO2' SING -CMP N 21 N C1' N9 SING -CMP N 22 N C1' H1' SING -CMP N 23 Y N9 C8 SING -CMP N 24 Y N9 C4 SING -CMP N 25 Y C8 N7 DOUB -CMP N 26 N C8 H8 SING -CMP N 27 Y N7 C5 SING -CMP N 28 Y C5 C6 SING -CMP N 29 Y C5 C4 DOUB -CMP N 30 N C6 N6 SING -CMP N 31 Y C6 N1 DOUB -CMP N 32 N N6 HN61 SING -CMP N 33 N N6 HN62 SING -CMP N 34 Y N1 C2 SING -CMP N 35 Y C2 N3 DOUB -CMP N 36 N C2 H2 SING -CMP N 37 Y N3 C4 SING -CYS N 1 N N CA SING -CYS N 2 N N H SING -CYS N 3 N N H2 SING -CYS N 4 N CA C SING -CYS N 5 N CA CB SING -CYS N 6 N CA HA SING -CYS N 7 N C O DOUB -CYS N 8 N C OXT SING -CYS N 9 N CB SG SING -CYS N 10 N CB HB2 SING -CYS N 11 N CB HB3 SING -CYS N 12 N SG HG SING -CYS N 13 N OXT HXT SING -DA N 1 N OP3 P SING -DA N 2 N OP3 HOP3 SING -DA N 3 N P OP1 DOUB -DA N 4 N P OP2 SING -DA N 5 N P O5' SING -DA N 6 N OP2 HOP2 SING -DA N 7 N O5' C5' SING -DA N 8 N C5' C4' SING -DA N 9 N C5' H5' SING -DA N 10 N C5' "H5''" SING -DA N 11 N C4' O4' SING -DA N 12 N C4' C3' SING -DA N 13 N C4' H4' SING -DA N 14 N O4' C1' SING -DA N 15 N C3' O3' SING -DA N 16 N C3' C2' SING -DA N 17 N C3' H3' SING -DA N 18 N O3' HO3' SING -DA N 19 N C2' C1' SING -DA N 20 N C2' H2' SING -DA N 21 N C2' "H2''" SING -DA N 22 N C1' N9 SING -DA N 23 N C1' H1' SING -DA N 24 Y N9 C8 SING -DA N 25 Y N9 C4 SING -DA N 26 Y C8 N7 DOUB -DA N 27 N C8 H8 SING -DA N 28 Y N7 C5 SING -DA N 29 Y C5 C6 SING -DA N 30 Y C5 C4 DOUB -DA N 31 N C6 N6 SING -DA N 32 Y C6 N1 DOUB -DA N 33 N N6 H61 SING -DA N 34 N N6 H62 SING -DA N 35 Y N1 C2 SING -DA N 36 Y C2 N3 DOUB -DA N 37 N C2 H2 SING -DA N 38 Y N3 C4 SING -DC N 1 N OP3 P SING -DC N 2 N OP3 HOP3 SING -DC N 3 N P OP1 DOUB -DC N 4 N P OP2 SING -DC N 5 N P O5' SING -DC N 6 N OP2 HOP2 SING -DC N 7 N O5' C5' SING -DC N 8 N C5' C4' SING -DC N 9 N C5' H5' SING -DC N 10 N C5' "H5''" SING -DC N 11 N C4' O4' SING -DC N 12 N C4' C3' SING -DC N 13 N C4' H4' SING -DC N 14 N O4' C1' SING -DC N 15 N C3' O3' SING -DC N 16 N C3' C2' SING -DC N 17 N C3' H3' SING -DC N 18 N O3' HO3' SING -DC N 19 N C2' C1' SING -DC N 20 N C2' H2' SING -DC N 21 N C2' "H2''" SING -DC N 22 N C1' N1 SING -DC N 23 N C1' H1' SING -DC N 24 N N1 C2 SING -DC N 25 N N1 C6 SING -DC N 26 N C2 O2 DOUB -DC N 27 N C2 N3 SING -DC N 28 N N3 C4 DOUB -DC N 29 N C4 N4 SING -DC N 30 N C4 C5 SING -DC N 31 N N4 H41 SING -DC N 32 N N4 H42 SING -DC N 33 N C5 C6 DOUB -DC N 34 N C5 H5 SING -DC N 35 N C6 H6 SING -DG N 1 N OP3 P SING -DG N 2 N OP3 HOP3 SING -DG N 3 N P OP1 DOUB -DG N 4 N P OP2 SING -DG N 5 N P O5' SING -DG N 6 N OP2 HOP2 SING -DG N 7 N O5' C5' SING -DG N 8 N C5' C4' SING -DG N 9 N C5' H5' SING -DG N 10 N C5' "H5''" SING -DG N 11 N C4' O4' SING -DG N 12 N C4' C3' SING -DG N 13 N C4' H4' SING -DG N 14 N O4' C1' SING -DG N 15 N C3' O3' SING -DG N 16 N C3' C2' SING -DG N 17 N C3' H3' SING -DG N 18 N O3' HO3' SING -DG N 19 N C2' C1' SING -DG N 20 N C2' H2' SING -DG N 21 N C2' "H2''" SING -DG N 22 N C1' N9 SING -DG N 23 N C1' H1' SING -DG N 24 Y N9 C8 SING -DG N 25 Y N9 C4 SING -DG N 26 Y C8 N7 DOUB -DG N 27 N C8 H8 SING -DG N 28 Y N7 C5 SING -DG N 29 N C5 C6 SING -DG N 30 Y C5 C4 DOUB -DG N 31 N C6 O6 DOUB -DG N 32 N C6 N1 SING -DG N 33 N N1 C2 SING -DG N 34 N N1 H1 SING -DG N 35 N C2 N2 SING -DG N 36 N C2 N3 DOUB -DG N 37 N N2 H21 SING -DG N 38 N N2 H22 SING -DG N 39 N N3 C4 SING -DT N 1 N OP3 P SING -DT N 2 N OP3 HOP3 SING -DT N 3 N P OP1 DOUB -DT N 4 N P OP2 SING -DT N 5 N P O5' SING -DT N 6 N OP2 HOP2 SING -DT N 7 N O5' C5' SING -DT N 8 N C5' C4' SING -DT N 9 N C5' H5' SING -DT N 10 N C5' "H5''" SING -DT N 11 N C4' O4' SING -DT N 12 N C4' C3' SING -DT N 13 N C4' H4' SING -DT N 14 N O4' C1' SING -DT N 15 N C3' O3' SING -DT N 16 N C3' C2' SING -DT N 17 N C3' H3' SING -DT N 18 N O3' HO3' SING -DT N 19 N C2' C1' SING -DT N 20 N C2' H2' SING -DT N 21 N C2' "H2''" SING -DT N 22 N C1' N1 SING -DT N 23 N C1' H1' SING -DT N 24 N N1 C2 SING -DT N 25 N N1 C6 SING -DT N 26 N C2 O2 DOUB -DT N 27 N C2 N3 SING -DT N 28 N N3 C4 SING -DT N 29 N N3 H3 SING -DT N 30 N C4 O4 DOUB -DT N 31 N C4 C5 SING -DT N 32 N C5 C7 SING -DT N 33 N C5 C6 DOUB -DT N 34 N C7 H71 SING -DT N 35 N C7 H72 SING -DT N 36 N C7 H73 SING -DT N 37 N C6 H6 SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HIS N 1 N N CA SING -HIS N 2 N N H SING -HIS N 3 N N H2 SING -HIS N 4 N CA C SING -HIS N 5 N CA CB SING -HIS N 6 N CA HA SING -HIS N 7 N C O DOUB -HIS N 8 N C OXT SING -HIS N 9 N CB CG SING -HIS N 10 N CB HB2 SING -HIS N 11 N CB HB3 SING -HIS N 12 Y CG ND1 SING -HIS N 13 Y CG CD2 DOUB -HIS N 14 Y ND1 CE1 DOUB -HIS N 15 N ND1 HD1 SING -HIS N 16 Y CD2 NE2 SING -HIS N 17 N CD2 HD2 SING -HIS N 18 Y CE1 NE2 SING -HIS N 19 N CE1 HE1 SING -HIS N 20 N NE2 HE2 SING -HIS N 21 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -MET N 1 N N CA SING -MET N 2 N N H SING -MET N 3 N N H2 SING -MET N 4 N CA C SING -MET N 5 N CA CB SING -MET N 6 N CA HA SING -MET N 7 N C O DOUB -MET N 8 N C OXT SING -MET N 9 N CB CG SING -MET N 10 N CB HB2 SING -MET N 11 N CB HB3 SING -MET N 12 N CG SD SING -MET N 13 N CG HG2 SING -MET N 14 N CG HG3 SING -MET N 15 N SD CE SING -MET N 16 N CE HE1 SING -MET N 17 N CE HE2 SING -MET N 18 N CE HE3 SING -MET N 19 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -PRO N 1 N N CA SING -PRO N 2 N N CD SING -PRO N 3 N N H SING -PRO N 4 N CA C SING -PRO N 5 N CA CB SING -PRO N 6 N CA HA SING -PRO N 7 N C O DOUB -PRO N 8 N C OXT SING -PRO N 9 N CB CG SING -PRO N 10 N CB HB2 SING -PRO N 11 N CB HB3 SING -PRO N 12 N CG CD SING -PRO N 13 N CG HG2 SING -PRO N 14 N CG HG3 SING -PRO N 15 N CD HD2 SING -PRO N 16 N CD HD3 SING -PRO N 17 N OXT HXT SING -SER N 1 N N CA SING -SER N 2 N N H SING -SER N 3 N N H2 SING -SER N 4 N CA C SING -SER N 5 N CA CB SING -SER N 6 N CA HA SING -SER N 7 N C O DOUB -SER N 8 N C OXT SING -SER N 9 N CB OG SING -SER N 10 N CB HB2 SING -SER N 11 N CB HB3 SING -SER N 12 N OG HG SING -SER N 13 N OXT HXT SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TRP N 1 N N CA SING -TRP N 2 N N H SING -TRP N 3 N N H2 SING -TRP N 4 N CA C SING -TRP N 5 N CA CB SING -TRP N 6 N CA HA SING -TRP N 7 N C O DOUB -TRP N 8 N C OXT SING -TRP N 9 N CB CG SING -TRP N 10 N CB HB2 SING -TRP N 11 N CB HB3 SING -TRP N 12 Y CG CD1 DOUB -TRP N 13 Y CG CD2 SING -TRP N 14 Y CD1 NE1 SING -TRP N 15 N CD1 HD1 SING -TRP N 16 Y CD2 CE2 DOUB -TRP N 17 Y CD2 CE3 SING -TRP N 18 Y NE1 CE2 SING -TRP N 19 N NE1 HE1 SING -TRP N 20 Y CE2 CZ2 SING -TRP N 21 Y CE3 CZ3 DOUB -TRP N 22 N CE3 HE3 SING -TRP N 23 Y CZ2 CH2 DOUB -TRP N 24 N CZ2 HZ2 SING -TRP N 25 Y CZ3 CH2 SING -TRP N 26 N CZ3 HZ3 SING -TRP N 27 N CH2 HH2 SING -TRP N 28 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A . 3 . +B . 3 . +C . 3 . +D . 3 . +E . 2 . +F . 2 . +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 . anti-parallel +A 2 3 . anti-parallel +B 1 2 . anti-parallel +B 2 3 . anti-parallel +C 1 2 . anti-parallel +C 2 3 . anti-parallel +D 1 2 . anti-parallel +D 2 3 . anti-parallel +E 1 2 . anti-parallel +F 1 2 . anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_entity_id +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_entity_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_seq_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.symmetry +A 1 VAL 47 . E 3 VAL 47 A LYS 52 . E 3 LYS 52 A ? +A 2 GLU 58 . E 3 GLU 58 A LEU 64 . E 3 LEU 64 A ? +A 3 TRP 85 . E 3 TRP 85 A ALA 88 . E 3 ALA 88 A ? +B 4 MET 163 . E 3 MET 163 A LYS 166 . E 3 LYS 166 A ? +B 5 ILE 196 . E 3 ILE 196 A ALA 198 . E 3 ALA 198 A ? +B 6 LYS 201 . E 3 LYS 201 A VAL 204 . E 3 VAL 204 A ? +C 7 HIS 19 . F 3 HIS 19 B TYR 23 . F 3 TYR 23 B ? +C 8 THR 38 . F 3 THR 38 B LYS 44 . F 3 LYS 44 B ? +C 9 CYS 92 . F 3 CYS 92 B SER 98 . F 3 SER 98 B ? +D 10 SER 46 . F 3 SER 46 B LYS 52 . F 3 LYS 52 B ? +D 11 GLU 58 . F 3 GLU 58 B ASN 65 . F 3 ASN 65 B ? +D 12 TRP 85 . F 3 TRP 85 B ALA 88 . F 3 ALA 88 B ? +E 13 ILE 196 . F 3 ILE 196 B HIS 199 . F 3 HIS 199 B ? +E 14 LYS 201 . F 3 LYS 201 B VAL 204 . F 3 VAL 204 B ? +F 15 THR 38 . E 3 THR 38 A LYS 44 . E 3 LYS 44 A ? +F 16 GLU 93 . E 3 GLU 93 A SER 98 . E 3 SER 98 A ? +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O TRP E 85 . O TRP A 85 N LEU E 50 . N LEU A 50 +A 2 3 O VAL E 47 . O VAL A 47 N LEU E 64 . N LEU A 64 +B 1 2 O MET E 163 . O MET A 163 N VAL E 204 . N VAL A 204 +B 2 3 O ILE E 203 . O ILE A 203 N SER E 197 . N SER A 197 +C 1 2 O HIS F 19 . O HIS B 19 N GLU F 96 . N GLU B 96 +C 2 3 O GLU F 93 . O GLU B 93 N LYS F 44 . N LYS B 44 +D 1 2 O TRP F 85 . O TRP B 85 N LEU F 50 . N LEU B 50 +D 2 3 O VAL F 47 . O VAL B 47 N LEU F 64 . N LEU B 64 +E 1 2 O SER F 197 . O SER B 197 N ILE F 203 . N ILE B 203 +F 1 2 O LEU E 39 . O LEU A 39 N ILE E 97 . N ILE A 97 +# +loop_ +_struct_site.details +_struct_site.id +_struct_site.pdbx_num_residues +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +'BINDING SITE FOR RESIDUE CMP B 761' AC1 10 Software ? ? ? ? +'BINDING SITE FOR RESIDUE CMP A 762' AC2 11 Software ? ? ? ? +# +loop_ +_struct_site_gen.details +_struct_site_gen.id +_struct_site_gen.label_alt_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_comp_id +_struct_site_gen.label_seq_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_seq_id +_struct_site_gen.site_id +_struct_site_gen.symmetry +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.pdbx_num_res +? 1 ? E . LEU 124 A LEU 124 AC1 1_555 ? 10 +? 2 ? E . SER 128 A SER 128 AC1 1_555 ? 10 +? 3 ? F . VAL 49 B VAL 49 AC1 1_555 ? 10 +? 4 ? F . GLY 71 B GLY 71 AC1 1_555 ? 10 +? 5 ? F . GLU 72 B GLU 72 AC1 1_555 ? 10 +? 6 ? F . LEU 73 B LEU 73 AC1 1_555 ? 10 +? 7 ? F . ARG 82 B ARG 82 AC1 1_555 ? 10 +? 8 ? F . SER 83 B SER 83 AC1 1_555 ? 10 +? 9 ? F . ALA 84 B ALA 84 AC1 1_555 ? 10 +? 10 ? F . THR 127 B THR 127 AC1 1_555 ? 10 +? 11 ? E . ILE 30 A ILE 30 AC2 1_555 ? 11 +? 12 ? E . VAL 49 A VAL 49 AC2 1_555 ? 11 +? 13 ? E . LEU 61 A LEU 61 AC2 1_555 ? 11 +? 14 ? E . GLY 71 A GLY 71 AC2 1_555 ? 11 +? 15 ? E . GLU 72 A GLU 72 AC2 1_555 ? 11 +? 16 ? E . LEU 73 A LEU 73 AC2 1_555 ? 11 +? 17 ? E . ARG 82 A ARG 82 AC2 1_555 ? 11 +? 18 ? E . SER 83 A SER 83 AC2 1_555 ? 11 +? 19 ? E . THR 127 A THR 127 AC2 1_555 ? 11 +? 20 ? F . LEU 124 B LEU 124 AC2 1_555 ? 11 +? 21 ? F . SER 128 B SER 128 AC2 1_555 ? 11 +# +_database_PDB_matrix.entry_id 1J59 +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 1J59 _atom_sites.fract_transf_matrix[1][1] 0.007299 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.006544 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.013147 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -G 4 CMP 1 762 762 CMP CMP A . -H 4 CMP 1 761 761 CMP CMP B . -I 5 HOH 1 497 497 HOH HOH C . -I 5 HOH 2 498 498 HOH HOH C . -I 5 HOH 3 499 499 HOH HOH C . -I 5 HOH 4 500 500 HOH HOH C . -I 5 HOH 5 502 502 HOH HOH C . -I 5 HOH 6 505 505 HOH HOH C . -I 5 HOH 7 506 506 HOH HOH C . -I 5 HOH 8 511 511 HOH HOH C . -I 5 HOH 9 545 545 HOH HOH C . -I 5 HOH 10 546 546 HOH HOH C . -I 5 HOH 11 561 561 HOH HOH C . -I 5 HOH 12 562 562 HOH HOH C . -I 5 HOH 13 565 565 HOH HOH C . -I 5 HOH 14 568 568 HOH HOH C . -I 5 HOH 15 569 569 HOH HOH C . -I 5 HOH 16 572 572 HOH HOH C . -I 5 HOH 17 573 573 HOH HOH C . -I 5 HOH 18 574 574 HOH HOH C . -I 5 HOH 19 576 576 HOH HOH C . -I 5 HOH 20 593 593 HOH HOH C . -I 5 HOH 21 594 594 HOH HOH C . -I 5 HOH 22 595 595 HOH HOH C . -I 5 HOH 23 597 597 HOH HOH C . -I 5 HOH 24 598 598 HOH HOH C . -I 5 HOH 25 600 600 HOH HOH C . -I 5 HOH 26 609 609 HOH HOH C . -I 5 HOH 27 612 612 HOH HOH C . -I 5 HOH 28 631 631 HOH HOH C . -I 5 HOH 29 635 635 HOH HOH C . -I 5 HOH 30 636 636 HOH HOH C . -I 5 HOH 31 645 645 HOH HOH C . -I 5 HOH 32 652 652 HOH HOH C . -I 5 HOH 33 655 655 HOH HOH C . -I 5 HOH 34 656 656 HOH HOH C . -I 5 HOH 35 659 659 HOH HOH C . -I 5 HOH 36 660 660 HOH HOH C . -I 5 HOH 37 672 672 HOH HOH C . -I 5 HOH 38 677 677 HOH HOH C . -I 5 HOH 39 692 692 HOH HOH C . -I 5 HOH 40 699 699 HOH HOH C . -I 5 HOH 41 700 700 HOH HOH C . -I 5 HOH 42 701 701 HOH HOH C . -I 5 HOH 43 702 702 HOH HOH C . -I 5 HOH 44 706 706 HOH HOH C . -I 5 HOH 45 707 707 HOH HOH C . -I 5 HOH 46 708 708 HOH HOH C . -I 5 HOH 47 709 709 HOH HOH C . -I 5 HOH 48 710 710 HOH HOH C . -I 5 HOH 49 715 715 HOH HOH C . -I 5 HOH 50 724 724 HOH HOH C . -J 5 HOH 1 475 475 HOH HOH D . -J 5 HOH 2 476 476 HOH HOH D . -J 5 HOH 3 477 477 HOH HOH D . -J 5 HOH 4 478 478 HOH HOH D . -J 5 HOH 5 479 479 HOH HOH D . -J 5 HOH 6 480 480 HOH HOH D . -J 5 HOH 7 481 481 HOH HOH D . -J 5 HOH 8 482 482 HOH HOH D . -J 5 HOH 9 485 485 HOH HOH D . -J 5 HOH 10 486 486 HOH HOH D . -J 5 HOH 11 489 489 HOH HOH D . -J 5 HOH 12 490 490 HOH HOH D . -J 5 HOH 13 493 493 HOH HOH D . -J 5 HOH 14 512 512 HOH HOH D . -J 5 HOH 15 517 517 HOH HOH D . -J 5 HOH 16 518 518 HOH HOH D . -J 5 HOH 17 524 524 HOH HOH D . -J 5 HOH 18 525 525 HOH HOH D . -J 5 HOH 19 529 529 HOH HOH D . -J 5 HOH 20 530 530 HOH HOH D . -J 5 HOH 21 533 533 HOH HOH D . -J 5 HOH 22 534 534 HOH HOH D . -J 5 HOH 23 535 535 HOH HOH D . -J 5 HOH 24 538 538 HOH HOH D . -J 5 HOH 25 539 539 HOH HOH D . -J 5 HOH 26 540 540 HOH HOH D . -J 5 HOH 27 547 547 HOH HOH D . -J 5 HOH 28 548 548 HOH HOH D . -J 5 HOH 29 549 549 HOH HOH D . -J 5 HOH 30 550 550 HOH HOH D . -J 5 HOH 31 551 551 HOH HOH D . -J 5 HOH 32 552 552 HOH HOH D . -J 5 HOH 33 553 553 HOH HOH D . -J 5 HOH 34 554 554 HOH HOH D . -J 5 HOH 35 556 556 HOH HOH D . -J 5 HOH 36 557 557 HOH HOH D . -J 5 HOH 37 558 558 HOH HOH D . -J 5 HOH 38 567 567 HOH HOH D . -J 5 HOH 39 582 582 HOH HOH D . -J 5 HOH 40 584 584 HOH HOH D . -J 5 HOH 41 585 585 HOH HOH D . -J 5 HOH 42 586 586 HOH HOH D . -J 5 HOH 43 587 587 HOH HOH D . -J 5 HOH 44 588 588 HOH HOH D . -J 5 HOH 45 591 591 HOH HOH D . -J 5 HOH 46 601 601 HOH HOH D . -J 5 HOH 47 607 607 HOH HOH D . -J 5 HOH 48 617 617 HOH HOH D . -J 5 HOH 49 621 621 HOH HOH D . -J 5 HOH 50 622 622 HOH HOH D . -J 5 HOH 51 624 624 HOH HOH D . -J 5 HOH 52 626 626 HOH HOH D . -J 5 HOH 53 633 633 HOH HOH D . -J 5 HOH 54 642 642 HOH HOH D . -J 5 HOH 55 643 643 HOH HOH D . -J 5 HOH 56 644 644 HOH HOH D . -J 5 HOH 57 666 666 HOH HOH D . -J 5 HOH 58 667 667 HOH HOH D . -J 5 HOH 59 668 668 HOH HOH D . -J 5 HOH 60 669 669 HOH HOH D . -J 5 HOH 61 683 683 HOH HOH D . -J 5 HOH 62 695 695 HOH HOH D . -J 5 HOH 63 696 696 HOH HOH D . -J 5 HOH 64 697 697 HOH HOH D . -J 5 HOH 65 713 713 HOH HOH D . -J 5 HOH 66 714 714 HOH HOH D . -J 5 HOH 67 742 742 HOH HOH D . -J 5 HOH 68 749 749 HOH HOH D . -J 5 HOH 69 752 752 HOH HOH D . -J 5 HOH 70 753 753 HOH HOH D . -J 5 HOH 71 755 755 HOH HOH D . -K 5 HOH 1 483 483 HOH HOH E . -K 5 HOH 2 484 484 HOH HOH E . -K 5 HOH 3 487 487 HOH HOH E . -K 5 HOH 4 488 488 HOH HOH E . -K 5 HOH 5 515 515 HOH HOH E . -K 5 HOH 6 516 516 HOH HOH E . -K 5 HOH 7 519 519 HOH HOH E . -K 5 HOH 8 520 520 HOH HOH E . -K 5 HOH 9 521 521 HOH HOH E . -K 5 HOH 10 531 531 HOH HOH E . -K 5 HOH 11 536 536 HOH HOH E . -K 5 HOH 12 537 537 HOH HOH E . -K 5 HOH 13 543 543 HOH HOH E . -K 5 HOH 14 544 544 HOH HOH E . -K 5 HOH 15 566 566 HOH HOH E . -K 5 HOH 16 570 570 HOH HOH E . -K 5 HOH 17 571 571 HOH HOH E . -K 5 HOH 18 577 577 HOH HOH E . -K 5 HOH 19 578 578 HOH HOH E . -K 5 HOH 20 579 579 HOH HOH E . -K 5 HOH 21 580 580 HOH HOH E . -K 5 HOH 22 581 581 HOH HOH E . -K 5 HOH 23 583 583 HOH HOH E . -K 5 HOH 24 590 590 HOH HOH E . -K 5 HOH 25 604 604 HOH HOH E . -K 5 HOH 26 605 605 HOH HOH E . -K 5 HOH 27 606 606 HOH HOH E . -K 5 HOH 28 618 618 HOH HOH E . -K 5 HOH 29 619 619 HOH HOH E . -K 5 HOH 30 620 620 HOH HOH E . -K 5 HOH 31 623 623 HOH HOH E . -K 5 HOH 32 625 625 HOH HOH E . -K 5 HOH 33 639 639 HOH HOH E . -K 5 HOH 34 640 640 HOH HOH E . -K 5 HOH 35 641 641 HOH HOH E . -K 5 HOH 36 646 646 HOH HOH E . -K 5 HOH 37 647 647 HOH HOH E . -K 5 HOH 38 684 684 HOH HOH E . -K 5 HOH 39 685 685 HOH HOH E . -K 5 HOH 40 686 686 HOH HOH E . -K 5 HOH 41 687 687 HOH HOH E . -K 5 HOH 42 688 688 HOH HOH E . -K 5 HOH 43 743 743 HOH HOH E . -K 5 HOH 44 750 750 HOH HOH E . -K 5 HOH 45 751 751 HOH HOH E . -K 5 HOH 46 754 754 HOH HOH E . -K 5 HOH 47 756 756 HOH HOH E . -L 5 HOH 1 491 491 HOH HOH F . -L 5 HOH 2 492 492 HOH HOH F . -L 5 HOH 3 494 494 HOH HOH F . -L 5 HOH 4 495 495 HOH HOH F . -L 5 HOH 5 496 496 HOH HOH F . -L 5 HOH 6 501 501 HOH HOH F . -L 5 HOH 7 503 503 HOH HOH F . -L 5 HOH 8 504 504 HOH HOH F . -L 5 HOH 9 507 507 HOH HOH F . -L 5 HOH 10 508 508 HOH HOH F . -L 5 HOH 11 509 509 HOH HOH F . -L 5 HOH 12 510 510 HOH HOH F . -L 5 HOH 13 513 513 HOH HOH F . -L 5 HOH 14 514 514 HOH HOH F . -L 5 HOH 15 522 522 HOH HOH F . -L 5 HOH 16 523 523 HOH HOH F . -L 5 HOH 17 526 526 HOH HOH F . -L 5 HOH 18 527 527 HOH HOH F . -L 5 HOH 19 528 528 HOH HOH F . -L 5 HOH 20 541 541 HOH HOH F . -L 5 HOH 21 542 542 HOH HOH F . -L 5 HOH 22 559 559 HOH HOH F . -L 5 HOH 23 560 560 HOH HOH F . -L 5 HOH 24 563 563 HOH HOH F . -L 5 HOH 25 564 564 HOH HOH F . -L 5 HOH 26 575 575 HOH HOH F . -L 5 HOH 27 589 589 HOH HOH F . -L 5 HOH 28 592 592 HOH HOH F . -L 5 HOH 29 596 596 HOH HOH F . -L 5 HOH 30 599 599 HOH HOH F . -L 5 HOH 31 602 602 HOH HOH F . -L 5 HOH 32 603 603 HOH HOH F . -L 5 HOH 33 608 608 HOH HOH F . -L 5 HOH 34 610 610 HOH HOH F . -L 5 HOH 35 613 613 HOH HOH F . -L 5 HOH 36 614 614 HOH HOH F . -L 5 HOH 37 615 615 HOH HOH F . -L 5 HOH 38 616 616 HOH HOH F . -L 5 HOH 39 627 627 HOH HOH F . -L 5 HOH 40 628 628 HOH HOH F . -L 5 HOH 41 629 629 HOH HOH F . -L 5 HOH 42 630 630 HOH HOH F . -L 5 HOH 43 632 632 HOH HOH F . -L 5 HOH 44 634 634 HOH HOH F . -L 5 HOH 45 637 637 HOH HOH F . -L 5 HOH 46 648 648 HOH HOH F . -L 5 HOH 47 649 649 HOH HOH F . -L 5 HOH 48 650 650 HOH HOH F . -L 5 HOH 49 651 651 HOH HOH F . -L 5 HOH 50 653 653 HOH HOH F . -L 5 HOH 51 658 658 HOH HOH F . -L 5 HOH 52 661 661 HOH HOH F . -L 5 HOH 53 662 662 HOH HOH F . -L 5 HOH 54 663 663 HOH HOH F . -L 5 HOH 55 670 670 HOH HOH F . -L 5 HOH 56 671 671 HOH HOH F . -L 5 HOH 57 673 673 HOH HOH F . -L 5 HOH 58 674 674 HOH HOH F . -L 5 HOH 59 675 675 HOH HOH F . -L 5 HOH 60 676 676 HOH HOH F . -L 5 HOH 61 678 678 HOH HOH F . -L 5 HOH 62 679 679 HOH HOH F . -L 5 HOH 63 681 681 HOH HOH F . -L 5 HOH 64 682 682 HOH HOH F . -L 5 HOH 65 689 689 HOH HOH F . -L 5 HOH 66 690 690 HOH HOH F . -L 5 HOH 67 691 691 HOH HOH F . -L 5 HOH 68 693 693 HOH HOH F . -L 5 HOH 69 703 703 HOH HOH F . -L 5 HOH 70 704 704 HOH HOH F . -L 5 HOH 71 711 711 HOH HOH F . -L 5 HOH 72 712 712 HOH HOH F . -L 5 HOH 73 716 716 HOH HOH F . -L 5 HOH 74 718 718 HOH HOH F . -L 5 HOH 75 748 748 HOH HOH F . -M 5 HOH 1 611 611 HOH HOH A . -M 5 HOH 2 654 654 HOH HOH A . -M 5 HOH 3 657 657 HOH HOH A . -M 5 HOH 4 705 705 HOH HOH A . -M 5 HOH 5 717 717 HOH HOH A . -M 5 HOH 6 719 719 HOH HOH A . -M 5 HOH 7 720 720 HOH HOH A . -M 5 HOH 8 721 721 HOH HOH A . -M 5 HOH 9 722 722 HOH HOH A . -M 5 HOH 10 723 723 HOH HOH A . -M 5 HOH 11 725 725 HOH HOH A . -M 5 HOH 12 726 726 HOH HOH A . -M 5 HOH 13 734 734 HOH HOH A . -M 5 HOH 14 735 735 HOH HOH A . -M 5 HOH 15 736 736 HOH HOH A . -M 5 HOH 16 737 737 HOH HOH A . -M 5 HOH 17 738 738 HOH HOH A . -M 5 HOH 18 744 744 HOH HOH A . -M 5 HOH 19 745 745 HOH HOH A . -M 5 HOH 20 746 746 HOH HOH A . -M 5 HOH 21 747 747 HOH HOH A . -N 5 HOH 1 532 532 HOH HOH B . -N 5 HOH 2 555 555 HOH HOH B . -N 5 HOH 3 638 638 HOH HOH B . -N 5 HOH 4 664 664 HOH HOH B . -N 5 HOH 5 665 665 HOH HOH B . -N 5 HOH 6 680 680 HOH HOH B . -N 5 HOH 7 694 694 HOH HOH B . -N 5 HOH 8 698 698 HOH HOH B . -N 5 HOH 9 727 727 HOH HOH B . -N 5 HOH 10 728 728 HOH HOH B . -N 5 HOH 11 729 729 HOH HOH B . -N 5 HOH 12 730 730 HOH HOH B . -N 5 HOH 13 731 731 HOH HOH B . -N 5 HOH 14 732 732 HOH HOH B . -N 5 HOH 15 733 733 HOH HOH B . -N 5 HOH 16 739 739 HOH HOH B . -N 5 HOH 17 740 740 HOH HOH B . -N 5 HOH 18 741 741 HOH HOH B . -N 5 HOH 19 757 757 HOH HOH B . -N 5 HOH 20 758 758 HOH HOH B . -N 5 HOH 21 759 759 HOH HOH B . -N 5 HOH 22 760 760 HOH HOH B . +_atom_type.symbol +C +N +O +P +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -1460,4731 +1022,5925 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 O O5' . DG A 1 1 . -5.513 61.883 -25.68 1 38.64 ? O5' DG C -5 1 -ATOM 2 C C5' . DG A 1 1 . -4.32 62.508 -25.164 1 41.72 ? C5' DG C -5 1 -ATOM 3 C C4' . DG A 1 1 . -4.328 63.985 -25.475 1 38.99 ? C4' DG C -5 1 -ATOM 4 O O4' . DG A 1 1 . -4.443 64.782 -24.264 1 30.81 ? O4' DG C -5 1 -ATOM 5 C C3' . DG A 1 1 . -3.102 64.474 -26.247 1 36.45 ? C3' DG C -5 1 -ATOM 6 O O3' . DG A 1 1 . -3.629 65.218 -27.36 1 46.52 ? O3' DG C -5 1 -ATOM 7 C C2' . DG A 1 1 . -2.32 65.297 -25.223 1 36.24 ? C2' DG C -5 1 -ATOM 8 C C1' . DG A 1 1 . -3.319 65.65 -24.112 1 38.95 ? C1' DG C -5 1 -ATOM 9 N N9 . DG A 1 1 . -2.861 65.541 -22.717 1 36.28 ? N9 DG C -5 1 -ATOM 10 C C8 . DG A 1 1 . -2.739 64.397 -21.97 1 33.98 ? C8 DG C -5 1 -ATOM 11 N N7 . DG A 1 1 . -2.338 64.624 -20.741 1 39.95 ? N7 DG C -5 1 -ATOM 12 C C5 . DG A 1 1 . -2.185 66.002 -20.669 1 35.4 ? C5 DG C -5 1 -ATOM 13 C C6 . DG A 1 1 . -1.775 66.862 -19.573 1 38.15 ? C6 DG C -5 1 -ATOM 14 O O6 . DG A 1 1 . -1.507 66.565 -18.403 1 32.94 ? O6 DG C -5 1 -ATOM 15 N N1 . DG A 1 1 . -1.712 68.193 -19.962 1 38.66 ? N1 DG C -5 1 -ATOM 16 C C2 . DG A 1 1 . -2.019 68.662 -21.202 1 43.52 ? C2 DG C -5 1 -ATOM 17 N N2 . DG A 1 1 . -1.892 69.982 -21.387 1 40.44 ? N2 DG C -5 1 -ATOM 18 N N3 . DG A 1 1 . -2.423 67.893 -22.212 1 46.07 ? N3 DG C -5 1 -ATOM 19 C C4 . DG A 1 1 . -2.482 66.586 -21.881 1 37.8 ? C4 DG C -5 1 -ATOM 20 P P . DC A 1 2 . -2.672 65.8 -28.514 1 43.99 ? P DC C -4 1 -ATOM 21 O OP1 . DC A 1 2 . -3.635 66.486 -29.432 1 41.89 ? OP1 DC C -4 1 -ATOM 22 O OP2 . DC A 1 2 . -1.774 64.742 -29.034 1 42.54 ? OP2 DC C -4 1 -ATOM 23 O O5' . DC A 1 2 . -1.839 66.949 -27.763 1 49.52 ? O5' DC C -4 1 -ATOM 24 C C5' . DC A 1 2 . -2.502 68.023 -27.042 1 39.42 ? C5' DC C -4 1 -ATOM 25 C C4' . DC A 1 2 . -2.448 69.314 -27.835 1 45.05 ? C4' DC C -4 1 -ATOM 26 O O4' . DC A 1 2 . -2.052 70.421 -26.997 1 38.1 ? O4' DC C -4 1 -ATOM 27 C C3' . DC A 1 2 . -1.383 69.287 -28.922 1 48.1 ? C3' DC C -4 1 -ATOM 28 O O3' . DC A 1 2 . -1.717 70.209 -29.944 1 53.24 ? O3' DC C -4 1 -ATOM 29 C C2' . DC A 1 2 . -0.129 69.756 -28.208 1 50.54 ? C2' DC C -4 1 -ATOM 30 C C1' . DC A 1 2 . -0.629 70.414 -26.93 1 46.09 ? C1' DC C -4 1 -ATOM 31 N N1 . DC A 1 2 . -0.27 69.624 -25.759 1 45.78 ? N1 DC C -4 1 -ATOM 32 C C2 . DC A 1 2 . -0.169 70.27 -24.535 1 49.94 ? C2 DC C -4 1 -ATOM 33 O O2 . DC A 1 2 . -0.365 71.498 -24.495 1 55 ? O2 DC C -4 1 -ATOM 34 N N3 . DC A 1 2 . 0.137 69.555 -23.425 1 45.26 ? N3 DC C -4 1 -ATOM 35 C C4 . DC A 1 2 . 0.342 68.242 -23.523 1 45.88 ? C4 DC C -4 1 -ATOM 36 N N4 . DC A 1 2 . 0.631 67.562 -22.396 1 39.63 ? N4 DC C -4 1 -ATOM 37 C C5 . DC A 1 2 . 0.257 67.561 -24.78 1 47.94 ? C5 DC C -4 1 -ATOM 38 C C6 . DC A 1 2 . -0.046 68.283 -25.858 1 38.54 ? C6 DC C -4 1 -ATOM 39 P P . DG A 1 3 . -1.047 70.066 -31.388 1 48.45 ? P DG C -3 1 -ATOM 40 O OP1 . DG A 1 3 . -2.067 70.399 -32.445 1 50.01 ? OP1 DG C -3 1 -ATOM 41 O OP2 . DG A 1 3 . -0.415 68.728 -31.365 1 51.07 ? OP2 DG C -3 1 -ATOM 42 O O5' . DG A 1 3 . 0.05 71.208 -31.389 1 45.6 ? O5' DG C -3 1 -ATOM 43 C C5' . DG A 1 3 . 1.345 70.968 -30.881 1 45.65 ? C5' DG C -3 1 -ATOM 44 C C4' . DG A 1 3 . 1.892 72.247 -30.307 1 48.82 ? C4' DG C -3 1 -ATOM 45 O O4' . DG A 1 3 . 2.096 72.061 -28.896 1 49.02 ? O4' DG C -3 1 -ATOM 46 C C3' . DG A 1 3 . 3.254 72.61 -30.848 1 49.88 ? C3' DG C -3 1 -ATOM 47 O O3' . DG A 1 3 . 3.435 74.032 -30.679 1 50.46 ? O3' DG C -3 1 -ATOM 48 C C2' . DG A 1 3 . 4.171 71.762 -29.973 1 48.77 ? C2' DG C -3 1 -ATOM 49 C C1' . DG A 1 3 . 3.481 71.831 -28.626 1 53.28 ? C1' DG C -3 1 -ATOM 50 N N9 . DG A 1 3 . 3.584 70.642 -27.768 1 54.83 ? N9 DG C -3 1 -ATOM 51 C C8 . DG A 1 3 . 3.54 69.321 -28.143 1 49.73 ? C8 DG C -3 1 -ATOM 52 N N7 . DG A 1 3 . 3.646 68.501 -27.13 1 48.47 ? N7 DG C -3 1 -ATOM 53 C C5 . DG A 1 3 . 3.773 69.325 -26.023 1 44.64 ? C5 DG C -3 1 -ATOM 54 C C6 . DG A 1 3 . 3.926 69.011 -24.665 1 40.91 ? C6 DG C -3 1 -ATOM 55 O O6 . DG A 1 3 . 4.003 67.922 -24.135 1 39.8 ? O6 DG C -3 1 -ATOM 56 N N1 . DG A 1 3 . 4.003 70.138 -23.89 1 45.45 ? N1 DG C -3 1 -ATOM 57 C C2 . DG A 1 3 . 3.958 71.419 -24.353 1 43.65 ? C2 DG C -3 1 -ATOM 58 N N2 . DG A 1 3 . 4.056 72.375 -23.425 1 47.81 ? N2 DG C -3 1 -ATOM 59 N N3 . DG A 1 3 . 3.827 71.741 -25.613 1 45.65 ? N3 DG C -3 1 -ATOM 60 C C4 . DG A 1 3 . 3.738 70.649 -26.393 1 49.55 ? C4 DG C -3 1 -ATOM 61 P P . DA A 1 4 . 4.3 74.86 -31.757 1 52.22 ? P DA C -2 1 -ATOM 62 O OP1 . DA A 1 4 . 3.369 75.612 -32.671 1 48.13 ? OP1 DA C -2 1 -ATOM 63 O OP2 . DA A 1 4 . 5.338 73.94 -32.351 1 46.12 ? OP2 DA C -2 1 -ATOM 64 O O5' . DA A 1 4 . 5.135 75.903 -30.884 1 51.19 ? O5' DA C -2 1 -ATOM 65 C C5' . DA A 1 4 . 4.504 76.78 -29.973 1 42.96 ? C5' DA C -2 1 -ATOM 66 C C4' . DA A 1 4 . 5.313 76.844 -28.701 1 51.9 ? C4' DA C -2 1 -ATOM 67 O O4' . DA A 1 4 . 5.377 75.524 -28.094 1 55 ? O4' DA C -2 1 -ATOM 68 C C3' . DA A 1 4 . 6.766 77.289 -28.867 1 49.76 ? C3' DA C -2 1 -ATOM 69 O O3' . DA A 1 4 . 7.103 78.034 -27.673 1 45.65 ? O3' DA C -2 1 -ATOM 70 C C2' . DA A 1 4 . 7.501 75.95 -28.92 1 50.32 ? C2' DA C -2 1 -ATOM 71 C C1' . DA A 1 4 . 6.726 75.133 -27.892 1 51.61 ? C1' DA C -2 1 -ATOM 72 N N9 . DA A 1 4 . 6.781 73.667 -28.011 1 54.31 ? N9 DA C -2 1 -ATOM 73 C C8 . DA A 1 4 . 6.819 72.889 -29.157 1 54.67 ? C8 DA C -2 1 -ATOM 74 N N7 . DA A 1 4 . 6.846 71.59 -28.921 1 47.83 ? N7 DA C -2 1 -ATOM 75 C C5 . DA A 1 4 . 6.833 71.505 -27.533 1 46.09 ? C5 DA C -2 1 -ATOM 76 C C6 . DA A 1 4 . 6.857 70.4 -26.641 1 40.88 ? C6 DA C -2 1 -ATOM 77 N N6 . DA A 1 4 . 6.89 69.123 -27.018 1 40.41 ? N6 DA C -2 1 -ATOM 78 N N1 . DA A 1 4 . 6.842 70.664 -25.328 1 42.95 ? N1 DA C -2 1 -ATOM 79 C C2 . DA A 1 4 . 6.801 71.942 -24.937 1 45.27 ? C2 DA C -2 1 -ATOM 80 N N3 . DA A 1 4 . 6.775 73.06 -25.664 1 40.58 ? N3 DA C -2 1 -ATOM 81 C C4 . DA A 1 4 . 6.794 72.775 -26.963 1 47.4 ? C4 DA C -2 1 -ATOM 82 P P . DA A 1 5 . 8.207 79.196 -27.713 1 46.03 ? P DA C -1 1 -ATOM 83 O OP1 . DA A 1 5 . 7.595 80.446 -27.189 1 40.78 ? OP1 DA C -1 1 -ATOM 84 O OP2 . DA A 1 5 . 8.77 79.127 -29.092 1 45.36 ? OP2 DA C -1 1 -ATOM 85 O O5' . DA A 1 5 . 9.336 78.745 -26.679 1 46.41 ? O5' DA C -1 1 -ATOM 86 C C5' . DA A 1 5 . 9.09 78.817 -25.27 1 52.5 ? C5' DA C -1 1 -ATOM 87 C C4' . DA A 1 5 . 9.985 77.875 -24.475 1 47.09 ? C4' DA C -1 1 -ATOM 88 O O4' . DA A 1 5 . 9.776 76.472 -24.743 1 51.83 ? O4' DA C -1 1 -ATOM 89 C C3' . DA A 1 5 . 11.483 78.094 -24.532 1 37.18 ? C3' DA C -1 1 -ATOM 90 O O3' . DA A 1 5 . 11.827 78.105 -23.191 1 39.85 ? O3' DA C -1 1 -ATOM 91 C C2' . DA A 1 5 . 12.035 76.871 -25.245 1 38.58 ? C2' DA C -1 1 -ATOM 92 C C1' . DA A 1 5 . 11.022 75.795 -24.899 1 48.8 ? C1' DA C -1 1 -ATOM 93 N N9 . DA A 1 5 . 10.78 74.723 -25.877 1 46.32 ? N9 DA C -1 1 -ATOM 94 C C8 . DA A 1 5 . 10.462 74.789 -27.21 1 51.01 ? C8 DA C -1 1 -ATOM 95 N N7 . DA A 1 5 . 10.279 73.613 -27.776 1 48.57 ? N7 DA C -1 1 -ATOM 96 C C5 . DA A 1 5 . 10.499 72.718 -26.751 1 48.85 ? C5 DA C -1 1 -ATOM 97 C C6 . DA A 1 5 . 10.431 71.323 -26.688 1 48.01 ? C6 DA C -1 1 -ATOM 98 N N6 . DA A 1 5 . 10.155 70.53 -27.723 1 53.37 ? N6 DA C -1 1 -ATOM 99 N N1 . DA A 1 5 . 10.668 70.748 -25.506 1 49.06 ? N1 DA C -1 1 -ATOM 100 C C2 . DA A 1 5 . 10.966 71.521 -24.456 1 51.75 ? C2 DA C -1 1 -ATOM 101 N N3 . DA A 1 5 . 11.071 72.84 -24.381 1 51.23 ? N3 DA C -1 1 -ATOM 102 C C4 . DA A 1 5 . 10.815 73.385 -25.577 1 50.45 ? C4 DA C -1 1 -ATOM 103 P P . DA A 1 6 . 13.35 78.05 -22.773 1 47.45 ? P DA C 1 1 -ATOM 104 O OP1 . DA A 1 6 . 13.469 78.954 -21.582 1 45.49 ? OP1 DA C 1 1 -ATOM 105 O OP2 . DA A 1 6 . 14.274 78.193 -23.934 1 42.5 ? OP2 DA C 1 1 -ATOM 106 O O5' . DA A 1 6 . 13.498 76.545 -22.326 1 48.52 ? O5' DA C 1 1 -ATOM 107 C C5' . DA A 1 6 . 12.567 75.958 -21.444 1 43.66 ? C5' DA C 1 1 -ATOM 108 C C4' . DA A 1 6 . 13.127 74.642 -20.987 1 45.75 ? C4' DA C 1 1 -ATOM 109 O O4' . DA A 1 6 . 13.034 73.74 -22.116 1 39.86 ? O4' DA C 1 1 -ATOM 110 C C3' . DA A 1 6 . 14.615 74.72 -20.604 1 45.3 ? C3' DA C 1 1 -ATOM 111 O O3' . DA A 1 6 . 14.788 74.066 -19.312 1 47.29 ? O3' DA C 1 1 -ATOM 112 C C2' . DA A 1 6 . 15.331 74.106 -21.803 1 40.69 ? C2' DA C 1 1 -ATOM 113 C C1' . DA A 1 6 . 14.294 73.152 -22.379 1 40.17 ? C1' DA C 1 1 -ATOM 114 N N9 . DA A 1 6 . 14.311 72.882 -23.814 1 43.03 ? N9 DA C 1 1 -ATOM 115 C C8 . DA A 1 6 . 14.56 73.738 -24.843 1 47.38 ? C8 DA C 1 1 -ATOM 116 N N7 . DA A 1 6 . 14.454 73.186 -26.03 1 46.14 ? N7 DA C 1 1 -ATOM 117 C C5 . DA A 1 6 . 14.118 71.871 -25.758 1 42.97 ? C5 DA C 1 1 -ATOM 118 C C6 . DA A 1 6 . 13.824 70.756 -26.604 1 47.73 ? C6 DA C 1 1 -ATOM 119 N N6 . DA A 1 6 . 13.851 70.79 -27.945 1 44.81 ? N6 DA C 1 1 -ATOM 120 N N1 . DA A 1 6 . 13.494 69.592 -26.006 1 51.72 ? N1 DA C 1 1 -ATOM 121 C C2 . DA A 1 6 . 13.464 69.553 -24.654 1 55 ? C2 DA C 1 1 -ATOM 122 N N3 . DA A 1 6 . 13.717 70.525 -23.768 1 45.64 ? N3 DA C 1 1 -ATOM 123 C C4 . DA A 1 6 . 14.039 71.668 -24.393 1 43.59 ? C4 DA C 1 1 -ATOM 124 P P . DA A 1 7 . 16.253 73.696 -18.748 1 45.8 ? P DA C 2 1 -ATOM 125 O OP1 . DA A 1 7 . 16.183 73.492 -17.271 1 44.06 ? OP1 DA C 2 1 -ATOM 126 O OP2 . DA A 1 7 . 17.314 74.543 -19.344 1 42.72 ? OP2 DA C 2 1 -ATOM 127 O O5' . DA A 1 7 . 16.478 72.24 -19.326 1 51.3 ? O5' DA C 2 1 -ATOM 128 C C5' . DA A 1 7 . 15.493 71.236 -19.112 1 47.61 ? C5' DA C 2 1 -ATOM 129 C C4' . DA A 1 7 . 15.922 69.943 -19.763 1 42.19 ? C4' DA C 2 1 -ATOM 130 O O4' . DA A 1 7 . 15.79 70.056 -21.196 1 39.05 ? O4' DA C 2 1 -ATOM 131 C C3' . DA A 1 7 . 17.371 69.56 -19.486 1 34.23 ? C3' DA C 2 1 -ATOM 132 O O3' . DA A 1 7 . 17.34 68.254 -18.878 1 29.13 ? O3' DA C 2 1 -ATOM 133 C C2' . DA A 1 7 . 18.022 69.64 -20.861 1 30.35 ? C2' DA C 2 1 -ATOM 134 C C1' . DA A 1 7 . 16.863 69.442 -21.807 1 30.17 ? C1' DA C 2 1 -ATOM 135 N N9 . DA A 1 7 . 17.041 70.086 -23.087 1 28.16 ? N9 DA C 2 1 -ATOM 136 C C8 . DA A 1 7 . 17.331 71.391 -23.351 1 37.58 ? C8 DA C 2 1 -ATOM 137 N N7 . DA A 1 7 . 17.451 71.662 -24.618 1 35.88 ? N7 DA C 2 1 -ATOM 138 C C5 . DA A 1 7 . 17.221 70.435 -25.233 1 39.4 ? C5 DA C 2 1 -ATOM 139 C C6 . DA A 1 7 . 17.271 70.012 -26.579 1 38.39 ? C6 DA C 2 1 -ATOM 140 N N6 . DA A 1 7 . 17.514 70.816 -27.604 1 42.42 ? N6 DA C 2 1 -ATOM 141 N N1 . DA A 1 7 . 17.058 68.71 -26.831 1 37.24 ? N1 DA C 2 1 -ATOM 142 C C2 . DA A 1 7 . 16.808 67.89 -25.803 1 38.7 ? C2 DA C 2 1 -ATOM 143 N N3 . DA A 1 7 . 16.734 68.161 -24.52 1 34.87 ? N3 DA C 2 1 -ATOM 144 C C4 . DA A 1 7 . 16.957 69.467 -24.293 1 34.26 ? C4 DA C 2 1 -ATOM 145 P P . DG A 1 8 . 18.711 67.431 -18.615 1 18.93 ? P DG C 3 1 -ATOM 146 O OP1 . DG A 1 8 . 18.258 66.503 -17.501 1 17.51 ? OP1 DG C 3 1 -ATOM 147 O OP2 . DG A 1 8 . 19.981 68.214 -18.499 1 15.92 ? OP2 DG C 3 1 -ATOM 148 O O5' . DG A 1 8 . 18.863 66.613 -19.967 1 22.62 ? O5' DG C 3 1 -ATOM 149 C C5' . DG A 1 8 . 17.817 65.715 -20.388 1 19.89 ? C5' DG C 3 1 -ATOM 150 C C4' . DG A 1 8 . 18.278 64.931 -21.585 1 10.77 ? C4' DG C 3 1 -ATOM 151 O O4' . DG A 1 8 . 18.382 65.896 -22.634 1 13.32 ? O4' DG C 3 1 -ATOM 152 C C3' . DG A 1 8 . 19.678 64.313 -21.451 1 12.75 ? C3' DG C 3 1 -ATOM 153 O O3' . DG A 1 8 . 19.583 62.928 -21.708 1 14.83 ? O3' DG C 3 1 -ATOM 154 C C2' . DG A 1 8 . 20.508 65.046 -22.477 1 6 ? C2' DG C 3 1 -ATOM 155 C C1' . DG A 1 8 . 19.427 65.526 -23.434 1 14.49 ? C1' DG C 3 1 -ATOM 156 N N9 . DG A 1 8 . 19.855 66.655 -24.243 1 21.27 ? N9 DG C 3 1 -ATOM 157 C C8 . DG A 1 8 . 20.562 67.748 -23.802 1 30.68 ? C8 DG C 3 1 -ATOM 158 N N7 . DG A 1 8 . 20.895 68.569 -24.76 1 31.53 ? N7 DG C 3 1 -ATOM 159 C C5 . DG A 1 8 . 20.359 67.993 -25.906 1 32.34 ? C5 DG C 3 1 -ATOM 160 C C6 . DG A 1 8 . 20.455 68.399 -27.28 1 31.35 ? C6 DG C 3 1 -ATOM 161 O O6 . DG A 1 8 . 21.035 69.435 -27.791 1 26.87 ? O6 DG C 3 1 -ATOM 162 N N1 . DG A 1 8 . 19.8 67.489 -28.115 1 33.43 ? N1 DG C 3 1 -ATOM 163 C C2 . DG A 1 8 . 19.146 66.362 -27.705 1 35.48 ? C2 DG C 3 1 -ATOM 164 N N2 . DG A 1 8 . 18.574 65.651 -28.702 1 34.59 ? N2 DG C 3 1 -ATOM 165 N N3 . DG A 1 8 . 19.058 65.967 -26.43 1 28.62 ? N3 DG C 3 1 -ATOM 166 C C4 . DG A 1 8 . 19.686 66.821 -25.596 1 23.64 ? C4 DG C 3 1 -ATOM 167 P P . DT A 1 9 . 20.899 62.044 -21.929 1 17.48 ? P DT C 4 1 -ATOM 168 O OP1 . DT A 1 9 . 20.504 60.642 -21.676 1 28.44 ? OP1 DT C 4 1 -ATOM 169 O OP2 . DT A 1 9 . 22.214 62.555 -21.389 1 21.5 ? OP2 DT C 4 1 -ATOM 170 O O5' . DT A 1 9 . 21.133 62.257 -23.491 1 28.24 ? O5' DT C 4 1 -ATOM 171 C C5' . DT A 1 9 . 20.299 61.671 -24.463 1 17.17 ? C5' DT C 4 1 -ATOM 172 C C4' . DT A 1 9 . 21.077 61.568 -25.744 1 21.82 ? C4' DT C 4 1 -ATOM 173 O O4' . DT A 1 9 . 21.197 62.933 -26.189 1 25.33 ? O4' DT C 4 1 -ATOM 174 C C3' . DT A 1 9 . 22.517 61.03 -25.571 1 24.78 ? C3' DT C 4 1 -ATOM 175 O O3' . DT A 1 9 . 22.744 59.961 -26.509 1 19.15 ? O3' DT C 4 1 -ATOM 176 C C2' . DT A 1 9 . 23.425 62.234 -25.783 1 22.8 ? C2' DT C 4 1 -ATOM 177 C C1' . DT A 1 9 . 22.531 63.164 -26.598 1 26.79 ? C1' DT C 4 1 -ATOM 178 N N1 . DT A 1 9 . 22.802 64.613 -26.484 1 27.98 ? N1 DT C 4 1 -ATOM 179 C C2 . DT A 1 9 . 22.857 65.297 -27.679 1 23.63 ? C2 DT C 4 1 -ATOM 180 O O2 . DT A 1 9 . 22.666 64.738 -28.745 1 29.11 ? O2 DT C 4 1 -ATOM 181 N N3 . DT A 1 9 . 23.139 66.653 -27.586 1 18.52 ? N3 DT C 4 1 -ATOM 182 C C4 . DT A 1 9 . 23.365 67.368 -26.418 1 26.6 ? C4 DT C 4 1 -ATOM 183 O O4 . DT A 1 9 . 23.613 68.594 -26.49 1 18.4 ? O4 DT C 4 1 -ATOM 184 C C5 . DT A 1 9 . 23.281 66.557 -25.168 1 15.09 ? C5 DT C 4 1 -ATOM 185 C C7 . DT A 1 9 . 23.523 67.217 -23.857 1 17.01 ? C7 DT C 4 1 -ATOM 186 C C6 . DT A 1 9 . 23.003 65.249 -25.272 1 21.89 ? C6 DT C 4 1 -ATOM 187 P P . DG A 1 10 . 24.22 59.323 -26.711 1 25.35 ? P DG C 5 1 -ATOM 188 O OP1 . DG A 1 10 . 23.806 57.932 -26.932 1 24.62 ? OP1 DG C 5 1 -ATOM 189 O OP2 . DG A 1 10 . 25.315 59.649 -25.757 1 23.48 ? OP2 DG C 5 1 -ATOM 190 O O5' . DG A 1 10 . 24.653 59.869 -28.138 1 32.8 ? O5' DG C 5 1 -ATOM 191 C C5' . DG A 1 10 . 23.752 59.614 -29.225 1 36.5 ? C5' DG C 5 1 -ATOM 192 C C4' . DG A 1 10 . 24.415 59.818 -30.556 1 25.94 ? C4' DG C 5 1 -ATOM 193 O O4' . DG A 1 10 . 24.753 61.197 -30.595 1 28.89 ? O4' DG C 5 1 -ATOM 194 C C3' . DG A 1 10 . 25.685 59.022 -30.785 1 34.63 ? C3' DG C 5 1 -ATOM 195 O O3' . DG A 1 10 . 25.62 58.394 -32.092 1 32.43 ? O3' DG C 5 1 -ATOM 196 C C2' . DG A 1 10 . 26.799 60.023 -30.503 1 33.78 ? C2' DG C 5 1 -ATOM 197 C C1' . DG A 1 10 . 26.143 61.394 -30.612 1 35.99 ? C1' DG C 5 1 -ATOM 198 N N9 . DG A 1 10 . 26.408 62.369 -29.558 1 40.06 ? N9 DG C 5 1 -ATOM 199 C C8 . DG A 1 10 . 26.645 62.115 -28.231 1 35.11 ? C8 DG C 5 1 -ATOM 200 N N7 . DG A 1 10 . 26.819 63.202 -27.521 1 33.83 ? N7 DG C 5 1 -ATOM 201 C C5 . DG A 1 10 . 26.69 64.246 -28.429 1 37.23 ? C5 DG C 5 1 -ATOM 202 C C6 . DG A 1 10 . 26.781 65.665 -28.231 1 33.12 ? C6 DG C 5 1 -ATOM 203 O O6 . DG A 1 10 . 26.979 66.277 -27.196 1 36.14 ? O6 DG C 5 1 -ATOM 204 N N1 . DG A 1 10 . 26.61 66.365 -29.415 1 35.63 ? N1 DG C 5 1 -ATOM 205 C C2 . DG A 1 10 . 26.384 65.789 -30.646 1 38.08 ? C2 DG C 5 1 -ATOM 206 N N2 . DG A 1 10 . 26.275 66.639 -31.649 1 35.21 ? N2 DG C 5 1 -ATOM 207 N N3 . DG A 1 10 . 26.281 64.466 -30.863 1 37.93 ? N3 DG C 5 1 -ATOM 208 C C4 . DG A 1 10 . 26.445 63.757 -29.704 1 41.91 ? C4 DG C 5 1 -ATOM 209 P P . DT A 1 11 . 26.965 58.071 -32.91 1 40.56 ? P DT C 6 1 -ATOM 210 O OP1 . DT A 1 11 . 26.564 57.966 -34.31 1 35.2 ? OP1 DT C 6 1 -ATOM 211 O OP2 . DT A 1 11 . 27.79 56.985 -32.319 1 36 ? OP2 DT C 6 1 -ATOM 212 O O5' . DT A 1 11 . 27.764 59.412 -32.739 1 33.05 ? O5' DT C 6 1 -ATOM 213 C C5' . DT A 1 11 . 27.4 60.519 -33.495 1 25.39 ? C5' DT C 6 1 -ATOM 214 C C4' . DT A 1 11 . 28.601 60.978 -34.243 1 33.42 ? C4' DT C 6 1 -ATOM 215 O O4' . DT A 1 11 . 29.078 62.13 -33.549 1 33.86 ? O4' DT C 6 1 -ATOM 216 C C3' . DT A 1 11 . 29.747 59.969 -34.226 1 43.29 ? C3' DT C 6 1 -ATOM 217 O O3' . DT A 1 11 . 30.483 60.179 -35.44 1 54.14 ? O3' DT C 6 1 -ATOM 218 C C2' . DT A 1 11 . 30.549 60.369 -32.992 1 37.21 ? C2' DT C 6 1 -ATOM 219 C C1' . DT A 1 11 . 30.302 61.878 -32.866 1 37.56 ? C1' DT C 6 1 -ATOM 220 N N1 . DT A 1 11 . 30.084 62.366 -31.495 1 38.76 ? N1 DT C 6 1 -ATOM 221 C C2 . DT A 1 11 . 29.879 63.727 -31.286 1 38.07 ? C2 DT C 6 1 -ATOM 222 O O2 . DT A 1 11 . 29.906 64.568 -32.164 1 37.79 ? O2 DT C 6 1 -ATOM 223 N N3 . DT A 1 11 . 29.643 64.073 -29.991 1 42.06 ? N3 DT C 6 1 -ATOM 224 C C4 . DT A 1 11 . 29.6 63.23 -28.901 1 43.79 ? C4 DT C 6 1 -ATOM 225 O O4 . DT A 1 11 . 29.371 63.699 -27.79 1 42.64 ? O4 DT C 6 1 -ATOM 226 C C5 . DT A 1 11 . 29.841 61.814 -29.195 1 42.21 ? C5 DT C 6 1 -ATOM 227 C C7 . DT A 1 11 . 29.822 60.814 -28.086 1 42.65 ? C7 DT C 6 1 -ATOM 228 C C6 . DT A 1 11 . 30.069 61.47 -30.457 1 37.01 ? C6 DT C 6 1 -ATOM 229 P P . DG A 1 12 . 31.343 59.002 -36.098 1 53.86 ? P DG C 7 1 -ATOM 230 O OP1 . DG A 1 12 . 31.126 59.181 -37.584 1 47.74 ? OP1 DG C 7 1 -ATOM 231 O OP2 . DG A 1 12 . 31.029 57.678 -35.465 1 55 ? OP2 DG C 7 1 -ATOM 232 O O5' . DG A 1 12 . 32.825 59.451 -35.688 1 52.23 ? O5' DG C 7 1 -ATOM 233 C C5' . DG A 1 12 . 33.372 60.676 -36.214 1 51.25 ? C5' DG C 7 1 -ATOM 234 C C4' . DG A 1 12 . 34.721 61.016 -35.603 1 50.7 ? C4' DG C 7 1 -ATOM 235 O O4' . DG A 1 12 . 34.534 61.717 -34.355 1 49.07 ? O4' DG C 7 1 -ATOM 236 C C3' . DG A 1 12 . 35.666 59.854 -35.291 1 53.77 ? C3' DG C 7 1 -ATOM 237 O O3' . DG A 1 12 . 37.034 60.28 -35.526 1 50.25 ? O3' DG C 7 1 -ATOM 238 C C2' . DG A 1 12 . 35.403 59.617 -33.808 1 54.16 ? C2' DG C 7 1 -ATOM 239 C C1' . DG A 1 12 . 35.221 61.043 -33.315 1 52.84 ? C1' DG C 7 1 -ATOM 240 N N9 . DG A 1 12 . 34.427 61.208 -32.107 1 49.18 ? N9 DG C 7 1 -ATOM 241 C C8 . DG A 1 12 . 33.357 60.46 -31.688 1 49.23 ? C8 DG C 7 1 -ATOM 242 N N7 . DG A 1 12 . 32.859 60.885 -30.559 1 49.36 ? N7 DG C 7 1 -ATOM 243 C C5 . DG A 1 12 . 33.658 61.972 -30.223 1 45.61 ? C5 DG C 7 1 -ATOM 244 C C6 . DG A 1 12 . 33.595 62.855 -29.12 1 43.93 ? C6 DG C 7 1 -ATOM 245 O O6 . DG A 1 12 . 32.817 62.849 -28.181 1 48.29 ? O6 DG C 7 1 -ATOM 246 N N1 . DG A 1 12 . 34.572 63.828 -29.184 1 48.24 ? N1 DG C 7 1 -ATOM 247 C C2 . DG A 1 12 . 35.501 63.943 -30.187 1 51.08 ? C2 DG C 7 1 -ATOM 248 N N2 . DG A 1 12 . 36.385 64.954 -30.084 1 48.89 ? N2 DG C 7 1 -ATOM 249 N N3 . DG A 1 12 . 35.566 63.129 -31.218 1 51.58 ? N3 DG C 7 1 -ATOM 250 C C4 . DG A 1 12 . 34.622 62.174 -31.171 1 45.71 ? C4 DG C 7 1 -ATOM 251 P P . DA A 1 13 . 38.033 59.37 -36.407 1 50.53 ? P DA C 8 1 -ATOM 252 O OP1 . DA A 1 13 . 37.594 59.4 -37.818 1 54.92 ? OP1 DA C 8 1 -ATOM 253 O OP2 . DA A 1 13 . 38.282 58.052 -35.74 1 48.74 ? OP2 DA C 8 1 -ATOM 254 O O5' . DA A 1 13 . 39.371 60.212 -36.338 1 53.18 ? O5' DA C 8 1 -ATOM 255 C C5' . DA A 1 13 . 39.365 61.593 -36.705 1 48.77 ? C5' DA C 8 1 -ATOM 256 C C4' . DA A 1 13 . 40.338 62.376 -35.849 1 50.89 ? C4' DA C 8 1 -ATOM 257 O O4' . DA A 1 13 . 39.68 62.759 -34.612 1 54 ? O4' DA C 8 1 -ATOM 258 C C3' . DA A 1 13 . 41.61 61.6 -35.469 1 49.06 ? C3' DA C 8 1 -ATOM 259 O O3' . DA A 1 13 . 42.807 62.293 -35.881 1 50.06 ? O3' DA C 8 1 -ATOM 260 C C2' . DA A 1 13 . 41.509 61.35 -33.967 1 49.82 ? C2' DA C 8 1 -ATOM 261 C C1' . DA A 1 13 . 40.409 62.289 -33.477 1 49.02 ? C1' DA C 8 1 -ATOM 262 N N9 . DA A 1 13 . 39.451 61.633 -32.614 1 42.96 ? N9 DA C 8 1 -ATOM 263 C C8 . DA A 1 13 . 38.713 60.51 -32.851 1 44.89 ? C8 DA C 8 1 -ATOM 264 N N7 . DA A 1 13 . 37.921 60.181 -31.86 1 46.16 ? N7 DA C 8 1 -ATOM 265 C C5 . DA A 1 13 . 38.16 61.165 -30.899 1 47.1 ? C5 DA C 8 1 -ATOM 266 C C6 . DA A 1 13 . 37.648 61.391 -29.589 1 41.87 ? C6 DA C 8 1 -ATOM 267 N N6 . DA A 1 13 . 36.742 60.623 -28.96 1 44.15 ? N6 DA C 8 1 -ATOM 268 N N1 . DA A 1 13 . 38.122 62.46 -28.929 1 47.7 ? N1 DA C 8 1 -ATOM 269 C C2 . DA A 1 13 . 39.055 63.243 -29.525 1 49.8 ? C2 DA C 8 1 -ATOM 270 N N3 . DA A 1 13 . 39.609 63.127 -30.722 1 43.83 ? N3 DA C 8 1 -ATOM 271 C C4 . DA A 1 13 . 39.109 62.061 -31.364 1 44.77 ? C4 DA C 8 1 -ATOM 272 P P . DC A 1 14 . 43.209 63.711 -35.215 1 55 ? P DC C 9 1 -ATOM 273 O OP1 . DC A 1 14 . 42.187 64.272 -34.22 1 45.38 ? OP1 DC C 9 1 -ATOM 274 O OP2 . DC A 1 14 . 43.64 64.57 -36.356 1 55 ? OP2 DC C 9 1 -ATOM 275 O O5' . DC A 1 14 . 44.591 63.333 -34.488 1 55 ? O5' DC C 9 1 -ATOM 276 C C5' . DC A 1 14 . 44.629 62.522 -33.292 1 55 ? C5' DC C 9 1 -ATOM 277 C C4' . DC A 1 14 . 44.806 63.399 -32.071 1 55 ? C4' DC C 9 1 -ATOM 278 O O4' . DC A 1 14 . 43.485 63.682 -31.53 1 55 ? O4' DC C 9 1 -ATOM 279 C C3' . DC A 1 14 . 45.575 62.759 -30.908 1 55 ? C3' DC C 9 1 -ATOM 280 O O3' . DC A 1 14 . 47.034 62.836 -30.939 1 51.34 ? O3' DC C 9 1 -ATOM 281 C C2' . DC A 1 14 . 45.014 63.518 -29.719 1 53.94 ? C2' DC C 9 1 -ATOM 282 C C1' . DC A 1 14 . 43.543 63.632 -30.101 1 55 ? C1' DC C 9 1 -ATOM 283 N N1 . DC A 1 14 . 42.749 62.473 -29.677 1 53.8 ? N1 DC C 9 1 -ATOM 284 C C2 . DC A 1 14 . 41.948 62.577 -28.531 1 55 ? C2 DC C 9 1 -ATOM 285 O O2 . DC A 1 14 . 41.933 63.659 -27.875 1 51.65 ? O2 DC C 9 1 -ATOM 286 N N3 . DC A 1 14 . 41.209 61.505 -28.16 1 55 ? N3 DC C 9 1 -ATOM 287 C C4 . DC A 1 14 . 41.251 60.373 -28.874 1 51.33 ? C4 DC C 9 1 -ATOM 288 N N4 . DC A 1 14 . 40.49 59.342 -28.467 1 50.82 ? N4 DC C 9 1 -ATOM 289 C C5 . DC A 1 14 . 42.063 60.246 -30.03 1 47.38 ? C5 DC C 9 1 -ATOM 290 C C6 . DC A 1 14 . 42.788 61.309 -30.393 1 50.58 ? C6 DC C 9 1 -ATOM 291 O O5' . DA B 2 1 . 47.624 63.612 -28.26 1 40.15 ? O5' DA D 10 1 -ATOM 292 C C5' . DA B 2 1 . 47.713 64.975 -27.773 1 41.23 ? C5' DA D 10 1 -ATOM 293 C C4' . DA B 2 1 . 46.511 65.414 -26.963 1 41.91 ? C4' DA D 10 1 -ATOM 294 O O4' . DA B 2 1 . 45.415 64.503 -27.278 1 34.07 ? O4' DA D 10 1 -ATOM 295 C C3' . DA B 2 1 . 46.73 65.371 -25.439 1 41.1 ? C3' DA D 10 1 -ATOM 296 O O3' . DA B 2 1 . 46.21 66.592 -24.792 1 47.1 ? O3' DA D 10 1 -ATOM 297 C C2' . DA B 2 1 . 45.982 64.101 -25.023 1 41.97 ? C2' DA D 10 1 -ATOM 298 C C1' . DA B 2 1 . 44.923 63.855 -26.101 1 38.41 ? C1' DA D 10 1 -ATOM 299 N N9 . DA B 2 1 . 44.675 62.435 -26.414 1 38.72 ? N9 DA D 10 1 -ATOM 300 C C8 . DA B 2 1 . 45.173 61.679 -27.472 1 40.02 ? C8 DA D 10 1 -ATOM 301 N N7 . DA B 2 1 . 44.754 60.422 -27.482 1 39.04 ? N7 DA D 10 1 -ATOM 302 C C5 . DA B 2 1 . 43.933 60.329 -26.356 1 40.81 ? C5 DA D 10 1 -ATOM 303 C C6 . DA B 2 1 . 43.157 59.246 -25.793 1 40.05 ? C6 DA D 10 1 -ATOM 304 N N6 . DA B 2 1 . 43.119 58.008 -26.271 1 40.66 ? N6 DA D 10 1 -ATOM 305 N N1 . DA B 2 1 . 42.421 59.506 -24.697 1 40.43 ? N1 DA D 10 1 -ATOM 306 C C2 . DA B 2 1 . 42.46 60.76 -24.175 1 41.52 ? C2 DA D 10 1 -ATOM 307 N N3 . DA B 2 1 . 43.15 61.851 -24.587 1 42.57 ? N3 DA D 10 1 -ATOM 308 C C4 . DA B 2 1 . 43.872 61.57 -25.689 1 42.7 ? C4 DA D 10 1 -ATOM 309 P P . DT B 2 2 . 46.893 67.211 -23.404 1 55 ? P DT D 11 1 -ATOM 310 O OP1 . DT B 2 2 . 46.017 68.337 -22.865 1 42.8 ? OP1 DT D 11 1 -ATOM 311 O OP2 . DT B 2 2 . 48.38 67.461 -23.583 1 51.84 ? OP2 DT D 11 1 -ATOM 312 O O5' . DT B 2 2 . 46.747 66.066 -22.299 1 53.94 ? O5' DT D 11 1 -ATOM 313 C C5' . DT B 2 2 . 45.46 65.552 -21.952 1 52.33 ? C5' DT D 11 1 -ATOM 314 C C4' . DT B 2 2 . 45.559 64.731 -20.697 1 44.09 ? C4' DT D 11 1 -ATOM 315 O O4' . DT B 2 2 . 45.421 63.329 -20.962 1 45.97 ? O4' DT D 11 1 -ATOM 316 C C3' . DT B 2 2 . 46.866 64.88 -19.959 1 46.39 ? C3' DT D 11 1 -ATOM 317 O O3' . DT B 2 2 . 46.407 64.961 -18.616 1 41.22 ? O3' DT D 11 1 -ATOM 318 C C2' . DT B 2 2 . 47.68 63.644 -20.388 1 40.78 ? C2' DT D 11 1 -ATOM 319 C C1' . DT B 2 2 . 46.633 62.582 -20.733 1 43.45 ? C1' DT D 11 1 -ATOM 320 N N1 . DT B 2 2 . 46.771 61.687 -21.943 1 38.73 ? N1 DT D 11 1 -ATOM 321 C C2 . DT B 2 2 . 45.775 60.732 -22.043 1 40.38 ? C2 DT D 11 1 -ATOM 322 O O2 . DT B 2 2 . 44.912 60.601 -21.21 1 45.18 ? O2 DT D 11 1 -ATOM 323 N N3 . DT B 2 2 . 45.812 59.921 -23.163 1 44.88 ? N3 DT D 11 1 -ATOM 324 C C4 . DT B 2 2 . 46.732 59.959 -24.189 1 48.9 ? C4 DT D 11 1 -ATOM 325 O O4 . DT B 2 2 . 46.609 59.153 -25.135 1 51.75 ? O4 DT D 11 1 -ATOM 326 C C5 . DT B 2 2 . 47.782 60.975 -24.031 1 50.82 ? C5 DT D 11 1 -ATOM 327 C C7 . DT B 2 2 . 48.832 61.097 -25.085 1 46.89 ? C7 DT D 11 1 -ATOM 328 C C6 . DT B 2 2 . 47.752 61.775 -22.92 1 48.86 ? C6 DT D 11 1 -ATOM 329 P P . DA B 2 3 . 47.427 65.166 -17.409 1 44.05 ? P DA D 12 1 -ATOM 330 O OP1 . DA B 2 3 . 46.773 66.296 -16.675 1 51.19 ? OP1 DA D 12 1 -ATOM 331 O OP2 . DA B 2 3 . 48.846 65.29 -17.819 1 39.32 ? OP2 DA D 12 1 -ATOM 332 O O5' . DA B 2 3 . 47.222 63.798 -16.631 1 41.66 ? O5' DA D 12 1 -ATOM 333 C C5' . DA B 2 3 . 45.897 63.395 -16.308 1 42.93 ? C5' DA D 12 1 -ATOM 334 C C4' . DA B 2 3 . 45.846 61.943 -15.907 1 40.3 ? C4' DA D 12 1 -ATOM 335 O O4' . DA B 2 3 . 46.015 61.104 -17.065 1 38.86 ? O4' DA D 12 1 -ATOM 336 C C3' . DA B 2 3 . 46.886 61.483 -14.878 1 36.09 ? C3' DA D 12 1 -ATOM 337 O O3' . DA B 2 3 . 46.159 60.565 -14.029 1 39.85 ? O3' DA D 12 1 -ATOM 338 C C2' . DA B 2 3 . 47.912 60.794 -15.755 1 29.38 ? C2' DA D 12 1 -ATOM 339 C C1' . DA B 2 3 . 46.982 60.146 -16.754 1 33.47 ? C1' DA D 12 1 -ATOM 340 N N9 . DA B 2 3 . 47.602 59.72 -17.989 1 37.85 ? N9 DA D 12 1 -ATOM 341 C C8 . DA B 2 3 . 48.522 60.341 -18.785 1 43.89 ? C8 DA D 12 1 -ATOM 342 N N7 . DA B 2 3 . 48.875 59.629 -19.823 1 41.94 ? N7 DA D 12 1 -ATOM 343 C C5 . DA B 2 3 . 48.122 58.462 -19.688 1 44.73 ? C5 DA D 12 1 -ATOM 344 C C6 . DA B 2 3 . 48.045 57.276 -20.442 1 50.44 ? C6 DA D 12 1 -ATOM 345 N N6 . DA B 2 3 . 48.771 57.045 -21.548 1 55 ? N6 DA D 12 1 -ATOM 346 N N1 . DA B 2 3 . 47.195 56.316 -20.021 1 43.24 ? N1 DA D 12 1 -ATOM 347 C C2 . DA B 2 3 . 46.503 56.525 -18.937 1 46.08 ? C2 DA D 12 1 -ATOM 348 N N3 . DA B 2 3 . 46.498 57.577 -18.141 1 48.18 ? N3 DA D 12 1 -ATOM 349 C C4 . DA B 2 3 . 47.339 58.519 -18.579 1 37.62 ? C4 DA D 12 1 -ATOM 350 P P . DT B 2 4 . 46.63 60.215 -12.517 1 37.63 ? P DT D 13 1 -ATOM 351 O OP1 . DT B 2 4 . 45.32 60.118 -11.796 1 40.97 ? OP1 DT D 13 1 -ATOM 352 O OP2 . DT B 2 4 . 47.701 61.144 -11.966 1 22.15 ? OP2 DT D 13 1 -ATOM 353 O O5' . DT B 2 4 . 47.057 58.681 -12.665 1 29.87 ? O5' DT D 13 1 -ATOM 354 C C5' . DT B 2 4 . 46.044 57.752 -13.089 1 23.04 ? C5' DT D 13 1 -ATOM 355 C C4' . DT B 2 4 . 46.589 56.352 -13.196 1 33.54 ? C4' DT D 13 1 -ATOM 356 O O4' . DT B 2 4 . 46.901 56.124 -14.582 1 27.11 ? O4' DT D 13 1 -ATOM 357 C C3' . DT B 2 4 . 47.851 56.097 -12.374 1 31.73 ? C3' DT D 13 1 -ATOM 358 O O3' . DT B 2 4 . 47.609 55.118 -11.307 1 32.77 ? O3' DT D 13 1 -ATOM 359 C C2' . DT B 2 4 . 48.917 55.748 -13.394 1 26.91 ? C2' DT D 13 1 -ATOM 360 C C1' . DT B 2 4 . 48.162 55.533 -14.709 1 37.09 ? C1' DT D 13 1 -ATOM 361 N N1 . DT B 2 4 . 48.866 56.08 -15.935 1 37.48 ? N1 DT D 13 1 -ATOM 362 C C2 . DT B 2 4 . 48.681 55.389 -17.089 1 36.31 ? C2 DT D 13 1 -ATOM 363 O O2 . DT B 2 4 . 47.917 54.437 -17.143 1 29.73 ? O2 DT D 13 1 -ATOM 364 N N3 . DT B 2 4 . 49.412 55.865 -18.187 1 39.84 ? N3 DT D 13 1 -ATOM 365 C C4 . DT B 2 4 . 50.278 56.982 -18.213 1 33.61 ? C4 DT D 13 1 -ATOM 366 O O4 . DT B 2 4 . 50.897 57.29 -19.284 1 29.75 ? O4 DT D 13 1 -ATOM 367 C C5 . DT B 2 4 . 50.371 57.686 -16.944 1 32.94 ? C5 DT D 13 1 -ATOM 368 C C7 . DT B 2 4 . 51.219 58.911 -16.841 1 30.73 ? C7 DT D 13 1 -ATOM 369 C C6 . DT B 2 4 . 49.678 57.204 -15.897 1 32.29 ? C6 DT D 13 1 -ATOM 370 P P . DG B 2 5 . 48.141 53.58 -11.406 1 34.52 ? P DG D 14 1 -ATOM 371 O OP1 . DG B 2 5 . 47.664 52.986 -10.144 1 43.03 ? OP1 DG D 14 1 -ATOM 372 O OP2 . DG B 2 5 . 49.567 53.367 -11.832 1 34.75 ? OP2 DG D 14 1 -ATOM 373 O O5' . DG B 2 5 . 47.186 52.961 -12.492 1 34.22 ? O5' DG D 14 1 -ATOM 374 C C5' . DG B 2 5 . 46.685 51.656 -12.361 1 20.6 ? C5' DG D 14 1 -ATOM 375 C C4' . DG B 2 5 . 47.259 50.79 -13.454 1 33.01 ? C4' DG D 14 1 -ATOM 376 O O4' . DG B 2 5 . 47.979 51.564 -14.462 1 35.41 ? O4' DG D 14 1 -ATOM 377 C C3' . DG B 2 5 . 48.234 49.764 -12.908 1 29.23 ? C3' DG D 14 1 -ATOM 378 O O3' . DG B 2 5 . 47.763 48.513 -13.393 1 35.76 ? O3' DG D 14 1 -ATOM 379 C C2' . DG B 2 5 . 49.564 50.178 -13.524 1 25.97 ? C2' DG D 14 1 -ATOM 380 C C1' . DG B 2 5 . 49.192 50.926 -14.789 1 28.17 ? C1' DG D 14 1 -ATOM 381 N N9 . DG B 2 5 . 50.184 51.952 -15.1 1 34.28 ? N9 DG D 14 1 -ATOM 382 C C8 . DG B 2 5 . 50.616 52.906 -14.226 1 34.34 ? C8 DG D 14 1 -ATOM 383 N N7 . DG B 2 5 . 51.52 53.693 -14.74 1 39.87 ? N7 DG D 14 1 -ATOM 384 C C5 . DG B 2 5 . 51.701 53.232 -16.042 1 35.52 ? C5 DG D 14 1 -ATOM 385 C C6 . DG B 2 5 . 52.591 53.677 -17.075 1 39.91 ? C6 DG D 14 1 -ATOM 386 O O6 . DG B 2 5 . 53.418 54.608 -17.053 1 55 ? O6 DG D 14 1 -ATOM 387 N N1 . DG B 2 5 . 52.481 52.928 -18.241 1 39.09 ? N1 DG D 14 1 -ATOM 388 C C2 . DG B 2 5 . 51.646 51.909 -18.417 1 44.38 ? C2 DG D 14 1 -ATOM 389 N N2 . DG B 2 5 . 51.727 51.366 -19.66 1 29.85 ? N2 DG D 14 1 -ATOM 390 N N3 . DG B 2 5 . 50.8 51.453 -17.458 1 45.72 ? N3 DG D 14 1 -ATOM 391 C C4 . DG B 2 5 . 50.888 52.17 -16.3 1 35.9 ? C4 DG D 14 1 -ATOM 392 P P . DT B 2 6 . 48.194 47.114 -12.7 1 35.88 ? P DT D 15 1 -ATOM 393 O OP1 . DT B 2 6 . 46.932 46.335 -12.89 1 37.64 ? OP1 DT D 15 1 -ATOM 394 O OP2 . DT B 2 6 . 48.824 47.131 -11.354 1 25.79 ? OP2 DT D 15 1 -ATOM 395 O O5' . DT B 2 6 . 49.325 46.567 -13.699 1 32.23 ? O5' DT D 15 1 -ATOM 396 C C5' . DT B 2 6 . 49.189 46.644 -15.134 1 31.46 ? C5' DT D 15 1 -ATOM 397 C C4' . DT B 2 6 . 50.328 45.904 -15.799 1 34.61 ? C4' DT D 15 1 -ATOM 398 O O4' . DT B 2 6 . 51.295 46.824 -16.398 1 25.68 ? O4' DT D 15 1 -ATOM 399 C C3' . DT B 2 6 . 51.103 45.072 -14.788 1 31.64 ? C3' DT D 15 1 -ATOM 400 O O3' . DT B 2 6 . 51.522 43.854 -15.422 1 40.68 ? O3' DT D 15 1 -ATOM 401 C C2' . DT B 2 6 . 52.257 45.992 -14.432 1 32.75 ? C2' DT D 15 1 -ATOM 402 C C1' . DT B 2 6 . 52.526 46.775 -15.722 1 28.85 ? C1' DT D 15 1 -ATOM 403 N N1 . DT B 2 6 . 53.037 48.171 -15.524 1 30.96 ? N1 DT D 15 1 -ATOM 404 C C2 . DT B 2 6 . 53.943 48.681 -16.421 1 32.87 ? C2 DT D 15 1 -ATOM 405 O O2 . DT B 2 6 . 54.319 48.061 -17.399 1 35.12 ? O2 DT D 15 1 -ATOM 406 N N3 . DT B 2 6 . 54.391 49.968 -16.132 1 30.06 ? N3 DT D 15 1 -ATOM 407 C C4 . DT B 2 6 . 54 50.779 -15.053 1 34.39 ? C4 DT D 15 1 -ATOM 408 O O4 . DT B 2 6 . 54.48 51.93 -14.885 1 32.34 ? O4 DT D 15 1 -ATOM 409 C C5 . DT B 2 6 . 53.046 50.202 -14.198 1 29.25 ? C5 DT D 15 1 -ATOM 410 C C7 . DT B 2 6 . 52.557 51.028 -13.072 1 23.55 ? C7 DT D 15 1 -ATOM 411 C C6 . DT B 2 6 . 52.619 48.941 -14.45 1 36.88 ? C6 DT D 15 1 -ATOM 412 P P . DC B 2 7 . 51.886 42.548 -14.537 1 47.56 ? P DC D 16 1 -ATOM 413 O OP1 . DC B 2 7 . 50.93 41.546 -15.049 1 52.01 ? OP1 DC D 16 1 -ATOM 414 O OP2 . DC B 2 7 . 51.911 42.85 -13.066 1 39.57 ? OP2 DC D 16 1 -ATOM 415 O O5' . DC B 2 7 . 53.354 42.173 -15.069 1 43.85 ? O5' DC D 16 1 -ATOM 416 C C5' . DC B 2 7 . 53.968 43.038 -16.048 1 45.5 ? C5' DC D 16 1 -ATOM 417 C C4' . DC B 2 7 . 55.329 42.566 -16.521 1 41.4 ? C4' DC D 16 1 -ATOM 418 O O4' . DC B 2 7 . 55.842 43.779 -17.142 1 40.11 ? O4' DC D 16 1 -ATOM 419 C C3' . DC B 2 7 . 56.379 42.159 -15.469 1 42.83 ? C3' DC D 16 1 -ATOM 420 O O3' . DC B 2 7 . 56.617 40.705 -15.443 1 50.5 ? O3' DC D 16 1 -ATOM 421 C C2' . DC B 2 7 . 57.626 42.945 -15.872 1 43.83 ? C2' DC D 16 1 -ATOM 422 C C1' . DC B 2 7 . 57.063 44.199 -16.542 1 43.62 ? C1' DC D 16 1 -ATOM 423 N N1 . DC B 2 7 . 56.781 45.377 -15.651 1 48.11 ? N1 DC D 16 1 -ATOM 424 C C2 . DC B 2 7 . 56.961 46.695 -16.157 1 49.75 ? C2 DC D 16 1 -ATOM 425 O O2 . DC B 2 7 . 57.343 46.843 -17.334 1 52.85 ? O2 DC D 16 1 -ATOM 426 N N3 . DC B 2 7 . 56.705 47.765 -15.344 1 47.43 ? N3 DC D 16 1 -ATOM 427 C C4 . DC B 2 7 . 56.288 47.569 -14.094 1 47.79 ? C4 DC D 16 1 -ATOM 428 N N4 . DC B 2 7 . 56.049 48.633 -13.353 1 48.62 ? N4 DC D 16 1 -ATOM 429 C C5 . DC B 2 7 . 56.097 46.262 -13.551 1 48.58 ? C5 DC D 16 1 -ATOM 430 C C6 . DC B 2 7 . 56.351 45.207 -14.352 1 47.19 ? C6 DC D 16 1 -ATOM 431 P P . DA B 2 8 . 57.265 39.99 -14.116 1 50.88 ? P DA D 17 1 -ATOM 432 O OP1 . DA B 2 8 . 57.14 38.503 -14.12 1 52.42 ? OP1 DA D 17 1 -ATOM 433 O OP2 . DA B 2 8 . 56.8 40.755 -12.911 1 53.33 ? OP2 DA D 17 1 -ATOM 434 O O5' . DA B 2 8 . 58.823 40.25 -14.254 1 47.97 ? O5' DA D 17 1 -ATOM 435 C C5' . DA B 2 8 . 59.486 40.108 -15.506 1 50.6 ? C5' DA D 17 1 -ATOM 436 C C4' . DA B 2 8 . 60.971 40.244 -15.279 1 54.94 ? C4' DA D 17 1 -ATOM 437 O O4' . DA B 2 8 . 61.309 41.644 -15.121 1 53.71 ? O4' DA D 17 1 -ATOM 438 C C3' . DA B 2 8 . 61.36 39.544 -13.981 1 51.07 ? C3' DA D 17 1 -ATOM 439 O O3' . DA B 2 8 . 62.073 38.361 -14.358 1 55 ? O3' DA D 17 1 -ATOM 440 C C2' . DA B 2 8 . 62.175 40.569 -13.204 1 47.55 ? C2' DA D 17 1 -ATOM 441 C C1' . DA B 2 8 . 61.807 41.915 -13.816 1 50.35 ? C1' DA D 17 1 -ATOM 442 N N9 . DA B 2 8 . 60.813 42.765 -13.133 1 53.31 ? N9 DA D 17 1 -ATOM 443 C C8 . DA B 2 8 . 59.602 42.451 -12.564 1 51.71 ? C8 DA D 17 1 -ATOM 444 N N7 . DA B 2 8 . 58.974 43.49 -12.051 1 48.2 ? N7 DA D 17 1 -ATOM 445 C C5 . DA B 2 8 . 59.828 44.558 -12.296 1 49.79 ? C5 DA D 17 1 -ATOM 446 C C6 . DA B 2 8 . 59.745 45.973 -12.026 1 48.14 ? C6 DA D 17 1 -ATOM 447 N N6 . DA B 2 8 . 58.717 46.617 -11.406 1 53.16 ? N6 DA D 17 1 -ATOM 448 N N1 . DA B 2 8 . 60.784 46.73 -12.432 1 50.75 ? N1 DA D 17 1 -ATOM 449 C C2 . DA B 2 8 . 61.818 46.14 -13.058 1 55 ? C2 DA D 17 1 -ATOM 450 N N3 . DA B 2 8 . 62.003 44.864 -13.366 1 55 ? N3 DA D 17 1 -ATOM 451 C C4 . DA B 2 8 . 60.967 44.12 -12.956 1 53.56 ? C4 DA D 17 1 -ATOM 452 P P . DC B 2 9 . 62.881 37.531 -13.257 1 55 ? P DC D 18 1 -ATOM 453 O OP1 . DC B 2 9 . 63.806 36.569 -13.918 1 55 ? OP1 DC D 18 1 -ATOM 454 O OP2 . DC B 2 9 . 61.792 37.023 -12.363 1 55 ? OP2 DC D 18 1 -ATOM 455 O O5' . DC B 2 9 . 63.725 38.668 -12.481 1 55 ? O5' DC D 18 1 -ATOM 456 C C5' . DC B 2 9 . 64.72 39.484 -13.16 1 55 ? C5' DC D 18 1 -ATOM 457 C C4' . DC B 2 9 . 65.301 40.571 -12.257 1 55 ? C4' DC D 18 1 -ATOM 458 O O4' . DC B 2 9 . 64.345 41.579 -11.831 1 55 ? O4' DC D 18 1 -ATOM 459 C C3' . DC B 2 9 . 66.076 40.169 -10.994 1 55 ? C3' DC D 18 1 -ATOM 460 O O3' . DC B 2 9 . 67.376 40.771 -11.129 1 55 ? O3' DC D 18 1 -ATOM 461 C C2' . DC B 2 9 . 65.303 40.845 -9.857 1 51.99 ? C2' DC D 18 1 -ATOM 462 C C1' . DC B 2 9 . 64.743 42.076 -10.55 1 55 ? C1' DC D 18 1 -ATOM 463 N N1 . DC B 2 9 . 63.562 42.707 -9.91 1 55 ? N1 DC D 18 1 -ATOM 464 C C2 . DC B 2 9 . 63.568 44.106 -9.608 1 51.8 ? C2 DC D 18 1 -ATOM 465 O O2 . DC B 2 9 . 64.563 44.8 -9.87 1 52.18 ? O2 DC D 18 1 -ATOM 466 N N3 . DC B 2 9 . 62.487 44.665 -9.035 1 49.03 ? N3 DC D 18 1 -ATOM 467 C C4 . DC B 2 9 . 61.425 43.911 -8.75 1 55 ? C4 DC D 18 1 -ATOM 468 N N4 . DC B 2 9 . 60.38 44.507 -8.169 1 55 ? N4 DC D 18 1 -ATOM 469 C C5 . DC B 2 9 . 61.388 42.509 -9.043 1 54.12 ? C5 DC D 18 1 -ATOM 470 C C6 . DC B 2 9 . 62.465 41.955 -9.613 1 53.62 ? C6 DC D 18 1 -ATOM 471 P P . DA B 2 10 . 68.687 40.114 -10.431 1 55 ? P DA D 19 1 -ATOM 472 O OP1 . DA B 2 10 . 69.5 39.617 -11.583 1 55 ? OP1 DA D 19 1 -ATOM 473 O OP2 . DA B 2 10 . 68.295 39.146 -9.339 1 55 ? OP2 DA D 19 1 -ATOM 474 O O5' . DA B 2 10 . 69.436 41.395 -9.753 1 55 ? O5' DA D 19 1 -ATOM 475 C C5' . DA B 2 10 . 70.018 42.508 -10.539 1 55 ? C5' DA D 19 1 -ATOM 476 C C4' . DA B 2 10 . 70.291 43.743 -9.682 1 51.18 ? C4' DA D 19 1 -ATOM 477 O O4' . DA B 2 10 . 69.052 44.281 -9.155 1 50.47 ? O4' DA D 19 1 -ATOM 478 C C3' . DA B 2 10 . 71.18 43.592 -8.442 1 53.79 ? C3' DA D 19 1 -ATOM 479 O O3' . DA B 2 10 . 71.855 44.86 -8.195 1 50.52 ? O3' DA D 19 1 -ATOM 480 C C2' . DA B 2 10 . 70.168 43.222 -7.356 1 45.35 ? C2' DA D 19 1 -ATOM 481 C C1' . DA B 2 10 . 68.963 44.086 -7.718 1 47.95 ? C1' DA D 19 1 -ATOM 482 N N9 . DA B 2 10 . 67.6 43.579 -7.403 1 47.99 ? N9 DA D 19 1 -ATOM 483 C C8 . DA B 2 10 . 67.112 42.28 -7.331 1 43.37 ? C8 DA D 19 1 -ATOM 484 N N7 . DA B 2 10 . 65.819 42.211 -7.053 1 42.86 ? N7 DA D 19 1 -ATOM 485 C C5 . DA B 2 10 . 65.434 43.543 -6.932 1 46.5 ? C5 DA D 19 1 -ATOM 486 C C6 . DA B 2 10 . 64.194 44.152 -6.688 1 43.94 ? C6 DA D 19 1 -ATOM 487 N N6 . DA B 2 10 . 63.06 43.485 -6.494 1 46 ? N6 DA D 19 1 -ATOM 488 N N1 . DA B 2 10 . 64.149 45.503 -6.651 1 47.67 ? N1 DA D 19 1 -ATOM 489 C C2 . DA B 2 10 . 65.282 46.199 -6.845 1 46.77 ? C2 DA D 19 1 -ATOM 490 N N3 . DA B 2 10 . 66.496 45.75 -7.088 1 55 ? N3 DA D 19 1 -ATOM 491 C C4 . DA B 2 10 . 66.513 44.396 -7.127 1 51 ? C4 DA D 19 1 -ATOM 492 P P . DC B 2 11 . 71.782 45.583 -6.725 1 55 ? P DC D 20 1 -ATOM 493 O OP1 . DC B 2 11 . 72.849 46.633 -6.709 1 50.91 ? OP1 DC D 20 1 -ATOM 494 O OP2 . DC B 2 11 . 71.733 44.569 -5.607 1 54.46 ? OP2 DC D 20 1 -ATOM 495 O O5' . DC B 2 11 . 70.374 46.362 -6.683 1 54.73 ? O5' DC D 20 1 -ATOM 496 C C5' . DC B 2 11 . 70.238 47.71 -7.197 1 54.18 ? C5' DC D 20 1 -ATOM 497 C C4' . DC B 2 11 . 69.47 48.622 -6.247 1 55 ? C4' DC D 20 1 -ATOM 498 O O4' . DC B 2 11 . 68.151 48.087 -5.925 1 55 ? O4' DC D 20 1 -ATOM 499 C C3' . DC B 2 11 . 70.163 48.947 -4.917 1 55 ? C3' DC D 20 1 -ATOM 500 O O3' . DC B 2 11 . 70.024 50.339 -4.587 1 55 ? O3' DC D 20 1 -ATOM 501 C C2' . DC B 2 11 . 69.41 48.117 -3.899 1 55 ? C2' DC D 20 1 -ATOM 502 C C1' . DC B 2 11 . 68.015 47.916 -4.509 1 55 ? C1' DC D 20 1 -ATOM 503 N N1 . DC B 2 11 . 67.541 46.535 -4.23 1 55 ? N1 DC D 20 1 -ATOM 504 C C2 . DC B 2 11 . 66.58 46.357 -3.257 1 54.91 ? C2 DC D 20 1 -ATOM 505 O O2 . DC B 2 11 . 66.142 47.354 -2.675 1 54.11 ? O2 DC D 20 1 -ATOM 506 N N3 . DC B 2 11 . 66.146 45.093 -2.962 1 53.87 ? N3 DC D 20 1 -ATOM 507 C C4 . DC B 2 11 . 66.654 44.033 -3.611 1 52.79 ? C4 DC D 20 1 -ATOM 508 N N4 . DC B 2 11 . 66.201 42.805 -3.284 1 46.47 ? N4 DC D 20 1 -ATOM 509 C C5 . DC B 2 11 . 67.639 44.185 -4.619 1 53.77 ? C5 DC D 20 1 -ATOM 510 C C6 . DC B 2 11 . 68.05 45.443 -4.9 1 55 ? C6 DC D 20 1 -ATOM 511 P P . DT B 2 12 . 71.349 51.237 -4.34 1 55 ? P DT D 21 1 -ATOM 512 O OP1 . DT B 2 12 . 71.08 52.675 -4.656 1 55 ? OP1 DT D 21 1 -ATOM 513 O OP2 . DT B 2 12 . 72.436 50.523 -5.06 1 55 ? OP2 DT D 21 1 -ATOM 514 O O5' . DT B 2 12 . 71.581 51.181 -2.754 1 55 ? O5' DT D 21 1 -ATOM 515 C C5' . DT B 2 12 . 70.648 50.509 -1.877 1 55 ? C5' DT D 21 1 -ATOM 516 C C4' . DT B 2 12 . 69.353 51.288 -1.725 1 53.47 ? C4' DT D 21 1 -ATOM 517 O O4' . DT B 2 12 . 68.269 50.356 -1.985 1 45.29 ? O4' DT D 21 1 -ATOM 518 C C3' . DT B 2 12 . 69.132 51.821 -0.294 1 50.57 ? C3' DT D 21 1 -ATOM 519 O O3' . DT B 2 12 . 68.418 53.056 -0.162 1 48.03 ? O3' DT D 21 1 -ATOM 520 C C2' . DT B 2 12 . 68.217 50.815 0.36 1 44.89 ? C2' DT D 21 1 -ATOM 521 C C1' . DT B 2 12 . 67.47 50.164 -0.793 1 52.73 ? C1' DT D 21 1 -ATOM 522 N N1 . DT B 2 12 . 67.497 48.771 -0.422 1 51.45 ? N1 DT D 21 1 -ATOM 523 C C2 . DT B 2 12 . 66.672 48.363 0.611 1 54.31 ? C2 DT D 21 1 -ATOM 524 O O2 . DT B 2 12 . 65.925 49.113 1.192 1 52.35 ? O2 DT D 21 1 -ATOM 525 N N3 . DT B 2 12 . 66.763 47.051 0.943 1 53.29 ? N3 DT D 21 1 -ATOM 526 C C4 . DT B 2 12 . 67.578 46.118 0.362 1 55 ? C4 DT D 21 1 -ATOM 527 O O4 . DT B 2 12 . 67.545 44.972 0.776 1 52.9 ? O4 DT D 21 1 -ATOM 528 C C5 . DT B 2 12 . 68.436 46.62 -0.742 1 55 ? C5 DT D 21 1 -ATOM 529 C C7 . DT B 2 12 . 69.384 45.692 -1.451 1 55 ? C7 DT D 21 1 -ATOM 530 C C6 . DT B 2 12 . 68.333 47.908 -1.067 1 55 ? C6 DT D 21 1 -ATOM 531 P P . DT B 2 13 . 68.253 53.679 1.316 1 49.59 ? P DT D 22 1 -ATOM 532 O OP1 . DT B 2 13 . 68.957 54.996 1.229 1 53.2 ? OP1 DT D 22 1 -ATOM 533 O OP2 . DT B 2 13 . 68.737 52.641 2.294 1 52.51 ? OP2 DT D 22 1 -ATOM 534 O O5' . DT B 2 13 . 66.702 53.944 1.661 1 45.11 ? O5' DT D 22 1 -ATOM 535 C C5' . DT B 2 13 . 65.685 52.982 1.408 1 43.34 ? C5' DT D 22 1 -ATOM 536 C C4' . DT B 2 13 . 65.109 52.358 2.669 1 37.37 ? C4' DT D 22 1 -ATOM 537 O O4' . DT B 2 13 . 65.516 50.978 2.621 1 47.19 ? O4' DT D 22 1 -ATOM 538 C C3' . DT B 2 13 . 65.387 52.816 4.118 1 36.43 ? C3' DT D 22 1 -ATOM 539 O O3' . DT B 2 13 . 64.163 52.776 4.859 1 28.16 ? O3' DT D 22 1 -ATOM 540 C C2' . DT B 2 13 . 66.218 51.675 4.691 1 41.19 ? C2' DT D 22 1 -ATOM 541 C C1' . DT B 2 13 . 65.635 50.506 3.941 1 46.69 ? C1' DT D 22 1 -ATOM 542 N N1 . DT B 2 13 . 66.456 49.288 3.912 1 47.59 ? N1 DT D 22 1 -ATOM 543 C C2 . DT B 2 13 . 65.896 48.14 4.438 1 45.6 ? C2 DT D 22 1 -ATOM 544 O O2 . DT B 2 13 . 64.774 48.11 4.905 1 41.73 ? O2 DT D 22 1 -ATOM 545 N N3 . DT B 2 13 . 66.697 47.032 4.397 1 41.54 ? N3 DT D 22 1 -ATOM 546 C C4 . DT B 2 13 . 67.978 46.954 3.893 1 44.41 ? C4 DT D 22 1 -ATOM 547 O O4 . DT B 2 13 . 68.587 45.869 3.937 1 37.35 ? O4 DT D 22 1 -ATOM 548 C C5 . DT B 2 13 . 68.506 48.214 3.342 1 49.96 ? C5 DT D 22 1 -ATOM 549 C C7 . DT B 2 13 . 69.886 48.243 2.759 1 44.67 ? C7 DT D 22 1 -ATOM 550 C C6 . DT B 2 13 . 67.723 49.298 3.384 1 46.06 ? C6 DT D 22 1 -ATOM 551 P P . DT B 2 14 . 64.136 53.102 6.438 1 30.14 ? P DT D 23 1 -ATOM 552 O OP1 . DT B 2 14 . 63.002 53.996 6.721 1 33.73 ? OP1 DT D 23 1 -ATOM 553 O OP2 . DT B 2 14 . 65.479 53.374 7.043 1 26.43 ? OP2 DT D 23 1 -ATOM 554 O O5' . DT B 2 14 . 63.574 51.803 7.119 1 32.66 ? O5' DT D 23 1 -ATOM 555 C C5' . DT B 2 14 . 62.265 51.408 6.852 1 27.71 ? C5' DT D 23 1 -ATOM 556 C C4' . DT B 2 14 . 62.073 50.019 7.381 1 29.7 ? C4' DT D 23 1 -ATOM 557 O O4' . DT B 2 14 . 63.121 49.183 6.843 1 27.87 ? O4' DT D 23 1 -ATOM 558 C C3' . DT B 2 14 . 62.231 49.961 8.896 1 29.01 ? C3' DT D 23 1 -ATOM 559 O O3' . DT B 2 14 . 61.095 49.263 9.374 1 28.89 ? O3' DT D 23 1 -ATOM 560 C C2' . DT B 2 14 . 63.515 49.178 9.113 1 25.76 ? C2' DT D 23 1 -ATOM 561 C C1' . DT B 2 14 . 63.553 48.33 7.869 1 28.79 ? C1' DT D 23 1 -ATOM 562 N N1 . DT B 2 14 . 64.885 47.842 7.529 1 23.69 ? N1 DT D 23 1 -ATOM 563 C C2 . DT B 2 14 . 65.082 46.487 7.441 1 25.02 ? C2 DT D 23 1 -ATOM 564 O O2 . DT B 2 14 . 64.187 45.652 7.618 1 21.8 ? O2 DT D 23 1 -ATOM 565 N N3 . DT B 2 14 . 66.342 46.121 7.152 1 13.78 ? N3 DT D 23 1 -ATOM 566 C C4 . DT B 2 14 . 67.397 46.933 6.966 1 25.71 ? C4 DT D 23 1 -ATOM 567 O O4 . DT B 2 14 . 68.498 46.449 6.756 1 21.25 ? O4 DT D 23 1 -ATOM 568 C C5 . DT B 2 14 . 67.123 48.343 7.05 1 29.34 ? C5 DT D 23 1 -ATOM 569 C C7 . DT B 2 14 . 68.238 49.322 6.829 1 27.25 ? C7 DT D 23 1 -ATOM 570 C C6 . DT B 2 14 . 65.889 48.719 7.324 1 27.44 ? C6 DT D 23 1 -ATOM 571 P P . DT B 2 15 . 60.906 48.976 10.95 1 45.19 ? P DT D 24 1 -ATOM 572 O OP1 . DT B 2 15 . 59.441 49.265 11.231 1 39.14 ? OP1 DT D 24 1 -ATOM 573 O OP2 . DT B 2 15 . 61.973 49.682 11.755 1 35.46 ? OP2 DT D 24 1 -ATOM 574 O O5' . DT B 2 15 . 61.155 47.4 11.043 1 41.5 ? O5' DT D 24 1 -ATOM 575 C C5' . DT B 2 15 . 60.261 46.509 10.396 1 47.88 ? C5' DT D 24 1 -ATOM 576 C C4' . DT B 2 15 . 60.825 45.111 10.372 1 47.86 ? C4' DT D 24 1 -ATOM 577 O O4' . DT B 2 15 . 62.109 45.167 9.716 1 52.37 ? O4' DT D 24 1 -ATOM 578 C C3' . DT B 2 15 . 61.119 44.541 11.751 1 46.21 ? C3' DT D 24 1 -ATOM 579 O O3' . DT B 2 15 . 59.989 43.851 12.28 1 40.45 ? O3' DT D 24 1 -ATOM 580 C C2' . DT B 2 15 . 62.247 43.566 11.481 1 48.38 ? C2' DT D 24 1 -ATOM 581 C C1' . DT B 2 15 . 62.933 44.136 10.258 1 48.35 ? C1' DT D 24 1 -ATOM 582 N N1 . DT B 2 15 . 64.276 44.682 10.479 1 44.35 ? N1 DT D 24 1 -ATOM 583 C C2 . DT B 2 15 . 65.343 43.799 10.361 1 46.14 ? C2 DT D 24 1 -ATOM 584 O O2 . DT B 2 15 . 65.233 42.588 10.132 1 43.07 ? O2 DT D 24 1 -ATOM 585 N N3 . DT B 2 15 . 66.555 44.381 10.526 1 49.95 ? N3 DT D 24 1 -ATOM 586 C C4 . DT B 2 15 . 66.807 45.733 10.814 1 42.83 ? C4 DT D 24 1 -ATOM 587 O O4 . DT B 2 15 . 67.958 46.144 10.939 1 37.01 ? O4 DT D 24 1 -ATOM 588 C C5 . DT B 2 15 . 65.681 46.569 10.948 1 50.44 ? C5 DT D 24 1 -ATOM 589 C C7 . DT B 2 15 . 65.917 48.008 11.275 1 46.54 ? C7 DT D 24 1 -ATOM 590 C C6 . DT B 2 15 . 64.472 46.018 10.774 1 55 ? C6 DT D 24 1 -ATOM 591 P P . DC B 2 16 . 59.823 43.757 13.862 1 45.23 ? P DC D 25 1 -ATOM 592 O OP1 . DC B 2 16 . 58.552 43.027 14.152 1 51.17 ? OP1 DC D 25 1 -ATOM 593 O OP2 . DC B 2 16 . 60.052 45.094 14.466 1 55 ? OP2 DC D 25 1 -ATOM 594 O O5' . DC B 2 16 . 61.082 42.915 14.316 1 43.4 ? O5' DC D 25 1 -ATOM 595 C C5' . DC B 2 16 . 61.259 41.597 13.863 1 44.9 ? C5' DC D 25 1 -ATOM 596 C C4' . DC B 2 16 . 62.596 41.073 14.327 1 48.98 ? C4' DC D 25 1 -ATOM 597 O O4' . DC B 2 16 . 63.644 41.993 13.944 1 49.36 ? O4' DC D 25 1 -ATOM 598 C C3' . DC B 2 16 . 62.752 40.851 15.838 1 55 ? C3' DC D 25 1 -ATOM 599 O O3' . DC B 2 16 . 63.248 39.495 16.003 1 55 ? O3' DC D 25 1 -ATOM 600 C C2' . DC B 2 16 . 63.778 41.91 16.252 1 49 ? C2' DC D 25 1 -ATOM 601 C C1' . DC B 2 16 . 64.6 42.047 14.978 1 48.81 ? C1' DC D 25 1 -ATOM 602 N N1 . DC B 2 16 . 65.363 43.291 14.797 1 48.4 ? N1 DC D 25 1 -ATOM 603 C C2 . DC B 2 16 . 66.62 43.227 14.136 1 46.96 ? C2 DC D 25 1 -ATOM 604 O O2 . DC B 2 16 . 67.067 42.118 13.721 1 41.01 ? O2 DC D 25 1 -ATOM 605 N N3 . DC B 2 16 . 67.318 44.357 13.966 1 45.61 ? N3 DC D 25 1 -ATOM 606 C C4 . DC B 2 16 . 66.806 45.518 14.418 1 45.62 ? C4 DC D 25 1 -ATOM 607 N N4 . DC B 2 16 . 67.531 46.619 14.21 1 40.43 ? N4 DC D 25 1 -ATOM 608 C C5 . DC B 2 16 . 65.551 45.599 15.087 1 45.76 ? C5 DC D 25 1 -ATOM 609 C C6 . DC B 2 16 . 64.873 44.484 15.253 1 42.16 ? C6 DC D 25 1 -ATOM 610 P P . DG B 2 17 . 62.654 38.505 17.163 1 49.77 ? P DG D 26 1 -ATOM 611 O OP1 . DG B 2 17 . 61.433 37.732 16.764 1 52.71 ? OP1 DG D 26 1 -ATOM 612 O OP2 . DG B 2 17 . 62.61 39.303 18.437 1 55 ? OP2 DG D 26 1 -ATOM 613 O O5' . DG B 2 17 . 63.794 37.398 17.153 1 47.44 ? O5' DG D 26 1 -ATOM 614 C C5' . DG B 2 17 . 64.187 36.792 15.925 1 42.09 ? C5' DG D 26 1 -ATOM 615 C C4' . DG B 2 17 . 65.614 36.362 16.046 1 43.6 ? C4' DG D 26 1 -ATOM 616 O O4' . DG B 2 17 . 66.473 37.546 16.005 1 51.4 ? O4' DG D 26 1 -ATOM 617 C C3' . DG B 2 17 . 65.827 35.763 17.424 1 43.5 ? C3' DG D 26 1 -ATOM 618 O O3' . DG B 2 17 . 66.828 34.741 17.32 1 52.09 ? O3' DG D 26 1 -ATOM 619 C C2' . DG B 2 17 . 66.255 36.976 18.265 1 47.87 ? C2' DG D 26 1 -ATOM 620 C C1' . DG B 2 17 . 67.109 37.773 17.286 1 48.54 ? C1' DG D 26 1 -ATOM 621 N N9 . DG B 2 17 . 67.25 39.228 17.427 1 38.12 ? N9 DG D 26 1 -ATOM 622 C C8 . DG B 2 17 . 66.246 40.14 17.64 1 43.8 ? C8 DG D 26 1 -ATOM 623 N N7 . DG B 2 17 . 66.661 41.38 17.642 1 36.92 ? N7 DG D 26 1 -ATOM 624 C C5 . DG B 2 17 . 68.033 41.284 17.435 1 41.01 ? C5 DG D 26 1 -ATOM 625 C C6 . DG B 2 17 . 69.063 42.328 17.27 1 44.75 ? C6 DG D 26 1 -ATOM 626 O O6 . DG B 2 17 . 68.95 43.573 17.314 1 47.53 ? O6 DG D 26 1 -ATOM 627 N N1 . DG B 2 17 . 70.312 41.778 17.032 1 43.5 ? N1 DG D 26 1 -ATOM 628 C C2 . DG B 2 17 . 70.57 40.445 16.958 1 42.91 ? C2 DG D 26 1 -ATOM 629 N N2 . DG B 2 17 . 71.853 40.155 16.729 1 53.81 ? N2 DG D 26 1 -ATOM 630 N N3 . DG B 2 17 . 69.652 39.471 17.097 1 35.37 ? N3 DG D 26 1 -ATOM 631 C C4 . DG B 2 17 . 68.418 39.958 17.325 1 36.11 ? C4 DG D 26 1 -ATOM 632 O O5' . DG C 1 1 . 76.815 50.937 20.413 1 52.03 ? O5' DG E 27 1 -ATOM 633 C C5' . DG C 1 1 . 76.054 50.947 19.139 1 53.94 ? C5' DG E 27 1 -ATOM 634 C C4' . DG C 1 1 . 75.889 49.574 18.513 1 51.38 ? C4' DG E 27 1 -ATOM 635 O O4' . DG C 1 1 . 74.911 48.814 19.274 1 46.86 ? O4' DG E 27 1 -ATOM 636 C C3' . DG C 1 1 . 75.394 49.567 17.056 1 51.37 ? C3' DG E 27 1 -ATOM 637 O O3' . DG C 1 1 . 75.926 48.411 16.35 1 50.51 ? O3' DG E 27 1 -ATOM 638 C C2' . DG C 1 1 . 73.899 49.383 17.243 1 43.52 ? C2' DG E 27 1 -ATOM 639 C C1' . DG C 1 1 . 73.922 48.381 18.38 1 44.32 ? C1' DG E 27 1 -ATOM 640 N N9 . DG C 1 1 . 72.671 48.258 19.097 1 45.59 ? N9 DG E 27 1 -ATOM 641 C C8 . DG C 1 1 . 71.886 49.247 19.62 1 44.53 ? C8 DG E 27 1 -ATOM 642 N N7 . DG C 1 1 . 70.8 48.789 20.181 1 42.86 ? N7 DG E 27 1 -ATOM 643 C C5 . DG C 1 1 . 70.888 47.416 20.018 1 44.9 ? C5 DG E 27 1 -ATOM 644 C C6 . DG C 1 1 . 69.997 46.398 20.364 1 40.74 ? C6 DG E 27 1 -ATOM 645 O O6 . DG C 1 1 . 68.912 46.488 20.927 1 37.4 ? O6 DG E 27 1 -ATOM 646 N N1 . DG C 1 1 . 70.472 45.144 19.975 1 48.9 ? N1 DG E 27 1 -ATOM 647 C C2 . DG C 1 1 . 71.645 44.91 19.33 1 43.29 ? C2 DG E 27 1 -ATOM 648 N N2 . DG C 1 1 . 71.934 43.644 19.044 1 46.92 ? N2 DG E 27 1 -ATOM 649 N N3 . DG C 1 1 . 72.481 45.855 18.991 1 48.53 ? N3 DG E 27 1 -ATOM 650 C C4 . DG C 1 1 . 72.041 47.079 19.362 1 48.5 ? C4 DG E 27 1 -ATOM 651 P P . DC C 1 2 . 77.243 48.546 15.372 1 55 ? P DC E 26 1 -ATOM 652 O OP1 . DC C 1 2 . 78.447 49.313 15.988 1 49.85 ? OP1 DC E 26 1 -ATOM 653 O OP2 . DC C 1 2 . 76.668 48.997 14.044 1 51.68 ? OP2 DC E 26 1 -ATOM 654 O O5' . DC C 1 2 . 77.71 47.015 15.131 1 55 ? O5' DC E 26 1 -ATOM 655 C C5' . DC C 1 2 . 77.827 46.054 16.232 1 55 ? C5' DC E 26 1 -ATOM 656 C C4' . DC C 1 2 . 77.505 44.639 15.778 1 51.81 ? C4' DC E 26 1 -ATOM 657 O O4' . DC C 1 2 . 76.285 44.147 16.368 1 51.44 ? O4' DC E 26 1 -ATOM 658 C C3' . DC C 1 2 . 77.301 44.546 14.29 1 49.35 ? C3' DC E 26 1 -ATOM 659 O O3' . DC C 1 2 . 78.538 44.108 13.821 1 54.36 ? O3' DC E 26 1 -ATOM 660 C C2' . DC C 1 2 . 76.171 43.547 14.091 1 48.19 ? C2' DC E 26 1 -ATOM 661 C C1' . DC C 1 2 . 75.409 43.551 15.403 1 49.02 ? C1' DC E 26 1 -ATOM 662 N N1 . DC C 1 2 . 74.121 44.276 15.515 1 51.88 ? N1 DC E 26 1 -ATOM 663 C C2 . DC C 1 2 . 73 43.598 16.103 1 53.04 ? C2 DC E 26 1 -ATOM 664 O O2 . DC C 1 2 . 73.11 42.407 16.459 1 47.84 ? O2 DC E 26 1 -ATOM 665 N N3 . DC C 1 2 . 71.828 44.278 16.261 1 52.98 ? N3 DC E 26 1 -ATOM 666 C C4 . DC C 1 2 . 71.73 45.558 15.859 1 51.67 ? C4 DC E 26 1 -ATOM 667 N N4 . DC C 1 2 . 70.567 46.165 16.047 1 43.98 ? N4 DC E 26 1 -ATOM 668 C C5 . DC C 1 2 . 72.83 46.257 15.249 1 49.23 ? C5 DC E 26 1 -ATOM 669 C C6 . DC C 1 2 . 73.993 45.583 15.094 1 50.39 ? C6 DC E 26 1 -ATOM 670 P P . DG C 1 3 . 79.173 44.843 12.573 1 55 ? P DG E 25 1 -ATOM 671 O OP1 . DG C 1 3 . 80.584 44.328 12.444 1 55 ? OP1 DG E 25 1 -ATOM 672 O OP2 . DG C 1 3 . 78.966 46.306 12.897 1 55 ? OP2 DG E 25 1 -ATOM 673 O O5' . DG C 1 3 . 78.196 44.364 11.359 1 55 ? O5' DG E 25 1 -ATOM 674 C C5' . DG C 1 3 . 78.478 43.209 10.495 1 52.26 ? C5' DG E 25 1 -ATOM 675 C C4' . DG C 1 3 . 77.452 42.082 10.656 1 54.91 ? C4' DG E 25 1 -ATOM 676 O O4' . DG C 1 3 . 76.352 42.332 11.592 1 52.47 ? O4' DG E 25 1 -ATOM 677 C C3' . DG C 1 3 . 76.787 41.631 9.357 1 52.97 ? C3' DG E 25 1 -ATOM 678 O O3' . DG C 1 3 . 76.872 40.204 9.195 1 55 ? O3' DG E 25 1 -ATOM 679 C C2' . DG C 1 3 . 75.325 42.029 9.526 1 46.88 ? C2' DG E 25 1 -ATOM 680 C C1' . DG C 1 3 . 75.059 42.062 11.019 1 45.56 ? C1' DG E 25 1 -ATOM 681 N N9 . DG C 1 3 . 74.155 43.181 11.354 1 49.9 ? N9 DG E 25 1 -ATOM 682 C C8 . DG C 1 3 . 74.374 44.512 10.982 1 48.23 ? C8 DG E 25 1 -ATOM 683 N N7 . DG C 1 3 . 73.428 45.341 11.395 1 54.11 ? N7 DG E 25 1 -ATOM 684 C C5 . DG C 1 3 . 72.508 44.523 12.092 1 53.48 ? C5 DG E 25 1 -ATOM 685 C C6 . DG C 1 3 . 71.237 44.842 12.755 1 51.42 ? C6 DG E 25 1 -ATOM 686 O O6 . DG C 1 3 . 70.631 45.91 12.948 1 54.79 ? O6 DG E 25 1 -ATOM 687 N N1 . DG C 1 3 . 70.59 43.717 13.342 1 51.03 ? N1 DG E 25 1 -ATOM 688 C C2 . DG C 1 3 . 71.13 42.43 13.246 1 48.33 ? C2 DG E 25 1 -ATOM 689 N N2 . DG C 1 3 . 70.361 41.479 13.843 1 51.08 ? N2 DG E 25 1 -ATOM 690 N N3 . DG C 1 3 . 72.305 42.1 12.63 1 55 ? N3 DG E 25 1 -ATOM 691 C C4 . DG C 1 3 . 72.933 43.175 12.079 1 55 ? C4 DG E 25 1 -ATOM 692 P P . DA C 1 4 . 75.959 39.437 8.054 1 55 ? P DA E 24 1 -ATOM 693 O OP1 . DA C 1 4 . 76.876 38.575 7.24 1 55 ? OP1 DA E 24 1 -ATOM 694 O OP2 . DA C 1 4 . 74.999 40.347 7.343 1 55 ? OP2 DA E 24 1 -ATOM 695 O O5' . DA C 1 4 . 74.998 38.491 8.907 1 55 ? O5' DA E 24 1 -ATOM 696 C C5' . DA C 1 4 . 74.545 37.267 8.371 1 49.21 ? C5' DA E 24 1 -ATOM 697 C C4' . DA C 1 4 . 73.08 37.354 8.023 1 53.41 ? C4' DA E 24 1 -ATOM 698 O O4' . DA C 1 4 . 72.543 38.61 8.503 1 55 ? O4' DA E 24 1 -ATOM 699 C C3' . DA C 1 4 . 72.777 37.314 6.525 1 53.84 ? C3' DA E 24 1 -ATOM 700 O O3' . DA C 1 4 . 72.005 36.138 6.223 1 55 ? O3' DA E 24 1 -ATOM 701 C C2' . DA C 1 4 . 71.991 38.601 6.269 1 51.21 ? C2' DA E 24 1 -ATOM 702 C C1' . DA C 1 4 . 71.495 39.001 7.641 1 53.09 ? C1' DA E 24 1 -ATOM 703 N N9 . DA C 1 4 . 71.258 40.434 7.851 1 51.31 ? N9 DA E 24 1 -ATOM 704 C C8 . DA C 1 4 . 71.943 41.479 7.286 1 50.95 ? C8 DA E 24 1 -ATOM 705 N N7 . DA C 1 4 . 71.514 42.663 7.669 1 50.11 ? N7 DA E 24 1 -ATOM 706 C C5 . DA C 1 4 . 70.476 42.382 8.549 1 49.64 ? C5 DA E 24 1 -ATOM 707 C C6 . DA C 1 4 . 69.595 43.218 9.293 1 46.44 ? C6 DA E 24 1 -ATOM 708 N N6 . DA C 1 4 . 69.656 44.541 9.291 1 45.03 ? N6 DA E 24 1 -ATOM 709 N N1 . DA C 1 4 . 68.649 42.627 10.048 1 45.59 ? N1 DA E 24 1 -ATOM 710 C C2 . DA C 1 4 . 68.59 41.29 10.062 1 47.74 ? C2 DA E 24 1 -ATOM 711 N N3 . DA C 1 4 . 69.356 40.395 9.419 1 50.88 ? N3 DA E 24 1 -ATOM 712 C C4 . DA C 1 4 . 70.296 41.013 8.669 1 52.45 ? C4 DA E 24 1 -ATOM 713 P P . DA C 1 5 . 71.714 35.715 4.677 1 54.54 ? P DA E 23 1 -ATOM 714 O OP1 . DA C 1 5 . 72.718 34.754 4.1 1 49.35 ? OP1 DA E 23 1 -ATOM 715 O OP2 . DA C 1 5 . 71.403 36.956 3.919 1 55 ? OP2 DA E 23 1 -ATOM 716 O O5' . DA C 1 5 . 70.316 34.963 4.838 1 55 ? O5' DA E 23 1 -ATOM 717 C C5' . DA C 1 5 . 69.127 35.548 4.284 1 55 ? C5' DA E 23 1 -ATOM 718 C C4' . DA C 1 5 . 68.169 35.984 5.37 1 55 ? C4' DA E 23 1 -ATOM 719 O O4' . DA C 1 5 . 68.656 37.171 6.062 1 55 ? O4' DA E 23 1 -ATOM 720 C C3' . DA C 1 5 . 66.821 36.393 4.764 1 55 ? C3' DA E 23 1 -ATOM 721 O O3' . DA C 1 5 . 65.731 36.062 5.641 1 53.81 ? O3' DA E 23 1 -ATOM 722 C C2' . DA C 1 5 . 66.94 37.894 4.704 1 51.47 ? C2' DA E 23 1 -ATOM 723 C C1' . DA C 1 5 . 67.585 38.1 6.055 1 55 ? C1' DA E 23 1 -ATOM 724 N N9 . DA C 1 5 . 68.118 39.441 6.145 1 52.72 ? N9 DA E 23 1 -ATOM 725 C C8 . DA C 1 5 . 69.365 39.874 5.813 1 54.03 ? C8 DA E 23 1 -ATOM 726 N N7 . DA C 1 5 . 69.536 41.161 5.982 1 53.57 ? N7 DA E 23 1 -ATOM 727 C C5 . DA C 1 5 . 68.306 41.601 6.463 1 54.44 ? C5 DA E 23 1 -ATOM 728 C C6 . DA C 1 5 . 67.842 42.879 6.823 1 53.98 ? C6 DA E 23 1 -ATOM 729 N N6 . DA C 1 5 . 68.618 43.955 6.763 1 45.51 ? N6 DA E 23 1 -ATOM 730 N N1 . DA C 1 5 . 66.557 43 7.249 1 53.5 ? N1 DA E 23 1 -ATOM 731 C C2 . DA C 1 5 . 65.801 41.87 7.314 1 50.02 ? C2 DA E 23 1 -ATOM 732 N N3 . DA C 1 5 . 66.139 40.608 7.005 1 47.55 ? N3 DA E 23 1 -ATOM 733 C C4 . DA C 1 5 . 67.423 40.547 6.576 1 51.14 ? C4 DA E 23 1 -ATOM 734 P P . DA C 1 6 . 64.302 35.689 5.007 1 53.92 ? P DA E 22 1 -ATOM 735 O OP1 . DA C 1 6 . 63.736 34.474 5.679 1 49.17 ? OP1 DA E 22 1 -ATOM 736 O OP2 . DA C 1 6 . 64.476 35.72 3.504 1 51.84 ? OP2 DA E 22 1 -ATOM 737 O O5' . DA C 1 6 . 63.365 36.935 5.359 1 55 ? O5' DA E 22 1 -ATOM 738 C C5' . DA C 1 6 . 63.127 37.367 6.715 1 46.95 ? C5' DA E 22 1 -ATOM 739 C C4' . DA C 1 6 . 62.418 38.71 6.735 1 45.04 ? C4' DA E 22 1 -ATOM 740 O O4' . DA C 1 6 . 63.347 39.798 6.439 1 47.43 ? O4' DA E 22 1 -ATOM 741 C C3' . DA C 1 6 . 61.279 38.817 5.729 1 38.46 ? C3' DA E 22 1 -ATOM 742 O O3' . DA C 1 6 . 60.065 39.212 6.372 1 38.57 ? O3' DA E 22 1 -ATOM 743 C C2' . DA C 1 6 . 61.767 39.813 4.677 1 47.54 ? C2' DA E 22 1 -ATOM 744 C C1' . DA C 1 6 . 62.889 40.611 5.347 1 47.32 ? C1' DA E 22 1 -ATOM 745 N N9 . DA C 1 6 . 64.064 40.975 4.511 1 44.09 ? N9 DA E 22 1 -ATOM 746 C C8 . DA C 1 6 . 64.814 40.206 3.639 1 43.81 ? C8 DA E 22 1 -ATOM 747 N N7 . DA C 1 6 . 65.809 40.852 3.078 1 34.03 ? N7 DA E 22 1 -ATOM 748 C C5 . DA C 1 6 . 65.714 42.126 3.599 1 35.7 ? C5 DA E 22 1 -ATOM 749 C C6 . DA C 1 6 . 66.49 43.303 3.408 1 42.53 ? C6 DA E 22 1 -ATOM 750 N N6 . DA C 1 6 . 67.561 43.378 2.626 1 31.47 ? N6 DA E 22 1 -ATOM 751 N N1 . DA C 1 6 . 66.115 44.416 4.078 1 45.66 ? N1 DA E 22 1 -ATOM 752 C C2 . DA C 1 6 . 65.041 44.339 4.896 1 49.43 ? C2 DA E 22 1 -ATOM 753 N N3 . DA C 1 6 . 64.248 43.3 5.167 1 41.35 ? N3 DA E 22 1 -ATOM 754 C C4 . DA C 1 6 . 64.64 42.221 4.48 1 42.45 ? C4 DA E 22 1 -ATOM 755 P P . DA C 1 7 . 58.67 39.179 5.549 1 44.62 ? P DA E 21 1 -ATOM 756 O OP1 . DA C 1 7 . 57.556 38.836 6.486 1 32.06 ? OP1 DA E 21 1 -ATOM 757 O OP2 . DA C 1 7 . 58.857 38.382 4.286 1 46.37 ? OP2 DA E 21 1 -ATOM 758 O O5' . DA C 1 7 . 58.475 40.712 5.107 1 42.28 ? O5' DA E 21 1 -ATOM 759 C C5' . DA C 1 7 . 59.597 41.523 4.708 1 38.93 ? C5' DA E 21 1 -ATOM 760 C C4' . DA C 1 7 . 59.318 42.993 4.955 1 41.83 ? C4' DA E 21 1 -ATOM 761 O O4' . DA C 1 7 . 60.555 43.697 4.734 1 32.73 ? O4' DA E 21 1 -ATOM 762 C C3' . DA C 1 7 . 58.295 43.629 3.997 1 41.75 ? C3' DA E 21 1 -ATOM 763 O O3' . DA C 1 7 . 57.548 44.734 4.575 1 39.58 ? O3' DA E 21 1 -ATOM 764 C C2' . DA C 1 7 . 59.157 44.133 2.869 1 39.3 ? C2' DA E 21 1 -ATOM 765 C C1' . DA C 1 7 . 60.468 44.469 3.546 1 39.63 ? C1' DA E 21 1 -ATOM 766 N N9 . DA C 1 7 . 61.565 44.068 2.695 1 38.52 ? N9 DA E 21 1 -ATOM 767 C C8 . DA C 1 7 . 61.926 42.789 2.346 1 38.92 ? C8 DA E 21 1 -ATOM 768 N N7 . DA C 1 7 . 62.978 42.73 1.564 1 43.3 ? N7 DA E 21 1 -ATOM 769 C C5 . DA C 1 7 . 63.326 44.063 1.383 1 38.01 ? C5 DA E 21 1 -ATOM 770 C C6 . DA C 1 7 . 64.335 44.671 0.64 1 38.24 ? C6 DA E 21 1 -ATOM 771 N N6 . DA C 1 7 . 65.22 43.983 -0.069 1 37.92 ? N6 DA E 21 1 -ATOM 772 N N1 . DA C 1 7 . 64.398 46.027 0.648 1 37.53 ? N1 DA E 21 1 -ATOM 773 C C2 . DA C 1 7 . 63.49 46.703 1.367 1 42.33 ? C2 DA E 21 1 -ATOM 774 N N3 . DA C 1 7 . 62.477 46.234 2.116 1 41.43 ? N3 DA E 21 1 -ATOM 775 C C4 . DA C 1 7 . 62.456 44.894 2.077 1 41.22 ? C4 DA E 21 1 -ATOM 776 P P . DG C 1 8 . 56.496 45.563 3.651 1 35.88 ? P DG E 20 1 -ATOM 777 O OP1 . DG C 1 8 . 55.614 46.437 4.478 1 31.43 ? OP1 DG E 20 1 -ATOM 778 O OP2 . DG C 1 8 . 55.882 44.663 2.625 1 35.43 ? OP2 DG E 20 1 -ATOM 779 O O5' . DG C 1 8 . 57.478 46.525 2.901 1 29.98 ? O5' DG E 20 1 -ATOM 780 C C5' . DG C 1 8 . 58.003 47.636 3.583 1 34.54 ? C5' DG E 20 1 -ATOM 781 C C4' . DG C 1 8 . 58.814 48.442 2.615 1 33.02 ? C4' DG E 20 1 -ATOM 782 O O4' . DG C 1 8 . 59.779 47.534 2.041 1 34.59 ? O4' DG E 20 1 -ATOM 783 C C3' . DG C 1 8 . 58.001 48.962 1.445 1 28.18 ? C3' DG E 20 1 -ATOM 784 O O3' . DG C 1 8 . 58.368 50.304 1.267 1 31.84 ? O3' DG E 20 1 -ATOM 785 C C2' . DG C 1 8 . 58.427 48.09 0.274 1 24.01 ? C2' DG E 20 1 -ATOM 786 C C1' . DG C 1 8 . 59.843 47.766 0.673 1 33.7 ? C1' DG E 20 1 -ATOM 787 N N9 . DG C 1 8 . 60.511 46.625 0.038 1 39.7 ? N9 DG E 20 1 -ATOM 788 C C8 . DG C 1 8 . 60.16 45.31 0.064 1 41.86 ? C8 DG E 20 1 -ATOM 789 N N7 . DG C 1 8 . 60.971 44.562 -0.622 1 40.21 ? N7 DG E 20 1 -ATOM 790 C C5 . DG C 1 8 . 61.912 45.439 -1.129 1 39.46 ? C5 DG E 20 1 -ATOM 791 C C6 . DG C 1 8 . 63.023 45.219 -1.978 1 42.77 ? C6 DG E 20 1 -ATOM 792 O O6 . DG C 1 8 . 63.435 44.136 -2.462 1 48.02 ? O6 DG E 20 1 -ATOM 793 N N1 . DG C 1 8 . 63.694 46.413 -2.267 1 47.66 ? N1 DG E 20 1 -ATOM 794 C C2 . DG C 1 8 . 63.346 47.647 -1.798 1 43.49 ? C2 DG E 20 1 -ATOM 795 N N2 . DG C 1 8 . 64.09 48.708 -2.155 1 41.39 ? N2 DG E 20 1 -ATOM 796 N N3 . DG C 1 8 . 62.322 47.846 -1.018 1 51.55 ? N3 DG E 20 1 -ATOM 797 C C4 . DG C 1 8 . 61.65 46.708 -0.727 1 43.3 ? C4 DG E 20 1 -ATOM 798 P P . DT C 1 9 . 57.518 51.213 0.287 1 37.34 ? P DT E 19 1 -ATOM 799 O OP1 . DT C 1 9 . 57.389 52.564 0.903 1 34.68 ? OP1 DT E 19 1 -ATOM 800 O OP2 . DT C 1 9 . 56.285 50.421 -0.01 1 32.52 ? OP2 DT E 19 1 -ATOM 801 O O5' . DT C 1 9 . 58.517 51.354 -0.946 1 35.58 ? O5' DT E 19 1 -ATOM 802 C C5' . DT C 1 9 . 59.918 51.272 -0.69 1 37.61 ? C5' DT E 19 1 -ATOM 803 C C4' . DT C 1 9 . 60.731 51.616 -1.914 1 36.56 ? C4' DT E 19 1 -ATOM 804 O O4' . DT C 1 9 . 61.488 50.495 -2.457 1 36.16 ? O4' DT E 19 1 -ATOM 805 C C3' . DT C 1 9 . 59.941 52.19 -3.054 1 31.27 ? C3' DT E 19 1 -ATOM 806 O O3' . DT C 1 9 . 60.782 53.199 -3.511 1 35.91 ? O3' DT E 19 1 -ATOM 807 C C2' . DT C 1 9 . 59.875 51.04 -4.044 1 32.28 ? C2' DT E 19 1 -ATOM 808 C C1' . DT C 1 9 . 61.204 50.309 -3.831 1 34.74 ? C1' DT E 19 1 -ATOM 809 N N1 . DT C 1 9 . 61.139 48.823 -4.108 1 39.24 ? N1 DT E 19 1 -ATOM 810 C C2 . DT C 1 9 . 62.056 48.231 -4.969 1 39.34 ? C2 DT E 19 1 -ATOM 811 O O2 . DT C 1 9 . 62.968 48.836 -5.511 1 33.32 ? O2 DT E 19 1 -ATOM 812 N N3 . DT C 1 9 . 61.864 46.875 -5.172 1 39.91 ? N3 DT E 19 1 -ATOM 813 C C4 . DT C 1 9 . 60.905 46.074 -4.622 1 37.4 ? C4 DT E 19 1 -ATOM 814 O O4 . DT C 1 9 . 60.866 44.887 -4.925 1 38.1 ? O4 DT E 19 1 -ATOM 815 C C5 . DT C 1 9 . 59.999 46.742 -3.713 1 35.96 ? C5 DT E 19 1 -ATOM 816 C C7 . DT C 1 9 . 58.931 45.956 -3.036 1 41.93 ? C7 DT E 19 1 -ATOM 817 C C6 . DT C 1 9 . 60.158 48.058 -3.51 1 34.58 ? C6 DT E 19 1 -ATOM 818 P P . DG C 1 10 . 60.27 54.206 -4.605 1 42.65 ? P DG E 18 1 -ATOM 819 O OP1 . DG C 1 10 . 60.467 55.571 -4.029 1 41.97 ? OP1 DG E 18 1 -ATOM 820 O OP2 . DG C 1 10 . 58.901 53.746 -4.944 1 47.76 ? OP2 DG E 18 1 -ATOM 821 O O5' . DG C 1 10 . 61.246 53.943 -5.856 1 38.01 ? O5' DG E 18 1 -ATOM 822 C C5' . DG C 1 10 . 62.638 54.19 -5.723 1 38.48 ? C5' DG E 18 1 -ATOM 823 C C4' . DG C 1 10 . 63.356 54.187 -7.058 1 46.55 ? C4' DG E 18 1 -ATOM 824 O O4' . DG C 1 10 . 63.45 52.866 -7.644 1 48.23 ? O4' DG E 18 1 -ATOM 825 C C3' . DG C 1 10 . 62.878 55.078 -8.196 1 45.63 ? C3' DG E 18 1 -ATOM 826 O O3' . DG C 1 10 . 64.092 55.339 -8.943 1 50.8 ? O3' DG E 18 1 -ATOM 827 C C2' . DG C 1 10 . 61.938 54.136 -8.937 1 49.45 ? C2' DG E 18 1 -ATOM 828 C C1' . DG C 1 10 . 62.673 52.795 -8.845 1 48.5 ? C1' DG E 18 1 -ATOM 829 N N9 . DG C 1 10 . 61.814 51.654 -8.633 1 44.58 ? N9 DG E 18 1 -ATOM 830 C C8 . DG C 1 10 . 60.501 51.661 -8.245 1 46.93 ? C8 DG E 18 1 -ATOM 831 N N7 . DG C 1 10 . 60.013 50.466 -8.078 1 48.45 ? N7 DG E 18 1 -ATOM 832 C C5 . DG C 1 10 . 61.073 49.631 -8.385 1 42.07 ? C5 DG E 18 1 -ATOM 833 C C6 . DG C 1 10 . 61.136 48.247 -8.372 1 44.13 ? C6 DG E 18 1 -ATOM 834 O O6 . DG C 1 10 . 60.232 47.444 -8.068 1 52.69 ? O6 DG E 18 1 -ATOM 835 N N1 . DG C 1 10 . 62.394 47.786 -8.759 1 44.83 ? N1 DG E 18 1 -ATOM 836 C C2 . DG C 1 10 . 63.453 48.598 -9.117 1 45.97 ? C2 DG E 18 1 -ATOM 837 N N2 . DG C 1 10 . 64.607 47.959 -9.477 1 51.61 ? N2 DG E 18 1 -ATOM 838 N N3 . DG C 1 10 . 63.39 49.917 -9.125 1 40.76 ? N3 DG E 18 1 -ATOM 839 C C4 . DG C 1 10 . 62.179 50.356 -8.746 1 39.81 ? C4 DG E 18 1 -ATOM 840 P P . DT C 1 11 . 64.052 55.714 -10.514 1 47.33 ? P DT E 17 1 -ATOM 841 O OP1 . DT C 1 11 . 65.46 55.897 -10.979 1 48.13 ? OP1 DT E 17 1 -ATOM 842 O OP2 . DT C 1 11 . 63.021 56.776 -10.74 1 44.36 ? OP2 DT E 17 1 -ATOM 843 O O5' . DT C 1 11 . 63.54 54.442 -11.307 1 48.33 ? O5' DT E 17 1 -ATOM 844 C C5' . DT C 1 11 . 63.404 54.526 -12.733 1 50.22 ? C5' DT E 17 1 -ATOM 845 C C4' . DT C 1 11 . 64.334 53.542 -13.396 1 46.62 ? C4' DT E 17 1 -ATOM 846 O O4' . DT C 1 11 . 64.194 52.341 -12.61 1 45.1 ? O4' DT E 17 1 -ATOM 847 C C3' . DT C 1 11 . 64.002 53.192 -14.862 1 49.85 ? C3' DT E 17 1 -ATOM 848 O O3' . DT C 1 11 . 65.184 53.012 -15.661 1 52.17 ? O3' DT E 17 1 -ATOM 849 C C2' . DT C 1 11 . 63.278 51.86 -14.784 1 45.71 ? C2' DT E 17 1 -ATOM 850 C C1' . DT C 1 11 . 63.541 51.335 -13.356 1 47.17 ? C1' DT E 17 1 -ATOM 851 N N1 . DT C 1 11 . 62.264 50.996 -12.698 1 47.14 ? N1 DT E 17 1 -ATOM 852 C C2 . DT C 1 11 . 62.1 49.681 -12.303 1 51.28 ? C2 DT E 17 1 -ATOM 853 O O2 . DT C 1 11 . 63.003 48.825 -12.412 1 48.33 ? O2 DT E 17 1 -ATOM 854 N N3 . DT C 1 11 . 60.846 49.399 -11.771 1 43.49 ? N3 DT E 17 1 -ATOM 855 C C4 . DT C 1 11 . 59.774 50.291 -11.592 1 46.51 ? C4 DT E 17 1 -ATOM 856 O O4 . DT C 1 11 . 58.658 49.863 -11.14 1 39.29 ? O4 DT E 17 1 -ATOM 857 C C5 . DT C 1 11 . 60.068 51.671 -11.981 1 42.35 ? C5 DT E 17 1 -ATOM 858 C C7 . DT C 1 11 . 59.032 52.728 -11.773 1 44.19 ? C7 DT E 17 1 -ATOM 859 C C6 . DT C 1 11 . 61.268 51.94 -12.51 1 40.37 ? C6 DT E 17 1 -ATOM 860 P P . DG C 1 12 . 66.107 54.281 -16.042 1 55 ? P DG E 16 1 -ATOM 861 O OP1 . DG C 1 12 . 67.342 53.808 -16.739 1 53.75 ? OP1 DG E 16 1 -ATOM 862 O OP2 . DG C 1 12 . 66.211 55.25 -14.921 1 48.58 ? OP2 DG E 16 1 -ATOM 863 O O5' . DG C 1 12 . 65.2 55.084 -17.037 1 49.31 ? O5' DG E 16 1 -ATOM 864 C C5' . DG C 1 12 . 63.824 54.899 -16.964 1 46.94 ? C5' DG E 16 1 -ATOM 865 C C4' . DG C 1 12 . 63.473 53.775 -17.889 1 47.78 ? C4' DG E 16 1 -ATOM 866 O O4' . DG C 1 12 . 62.696 52.796 -17.186 1 46.1 ? O4' DG E 16 1 -ATOM 867 C C3' . DG C 1 12 . 62.662 54.272 -19.081 1 47.58 ? C3' DG E 16 1 -ATOM 868 O O3' . DG C 1 12 . 63.271 53.787 -20.284 1 51.79 ? O3' DG E 16 1 -ATOM 869 C C2' . DG C 1 12 . 61.261 53.74 -18.844 1 38.47 ? C2' DG E 16 1 -ATOM 870 C C1' . DG C 1 12 . 61.452 52.636 -17.824 1 45.43 ? C1' DG E 16 1 -ATOM 871 N N9 . DG C 1 12 . 60.446 52.622 -16.785 1 42.31 ? N9 DG E 16 1 -ATOM 872 C C8 . DG C 1 12 . 59.905 53.658 -16.07 1 40.73 ? C8 DG E 16 1 -ATOM 873 N N7 . DG C 1 12 . 59.002 53.254 -15.207 1 48.69 ? N7 DG E 16 1 -ATOM 874 C C5 . DG C 1 12 . 58.967 51.862 -15.384 1 49.32 ? C5 DG E 16 1 -ATOM 875 C C6 . DG C 1 12 . 58.199 50.811 -14.717 1 48.44 ? C6 DG E 16 1 -ATOM 876 O O6 . DG C 1 12 . 57.352 50.905 -13.824 1 55 ? O6 DG E 16 1 -ATOM 877 N N1 . DG C 1 12 . 58.528 49.552 -15.211 1 42.76 ? N1 DG E 16 1 -ATOM 878 C C2 . DG C 1 12 . 59.468 49.308 -16.187 1 45.9 ? C2 DG E 16 1 -ATOM 879 N N2 . DG C 1 12 . 59.707 47.991 -16.545 1 48.7 ? N2 DG E 16 1 -ATOM 880 N N3 . DG C 1 12 . 60.156 50.259 -16.794 1 44.2 ? N3 DG E 16 1 -ATOM 881 C C4 . DG C 1 12 . 59.858 51.484 -16.35 1 46.58 ? C4 DG E 16 1 -ATOM 882 P P . DA C 1 13 . 63.219 54.667 -21.63 1 48.78 ? P DA E 15 1 -ATOM 883 O OP1 . DA C 1 13 . 64.491 54.334 -22.319 1 49.49 ? OP1 DA E 15 1 -ATOM 884 O OP2 . DA C 1 13 . 62.9 56.072 -21.368 1 47.04 ? OP2 DA E 15 1 -ATOM 885 O O5' . DA C 1 13 . 62.003 53.956 -22.388 1 50.35 ? O5' DA E 15 1 -ATOM 886 C C5' . DA C 1 13 . 62.193 52.587 -22.847 1 55 ? C5' DA E 15 1 -ATOM 887 C C4' . DA C 1 13 . 60.884 51.882 -23.146 1 54.07 ? C4' DA E 15 1 -ATOM 888 O O4' . DA C 1 13 . 60.057 51.856 -21.951 1 55 ? O4' DA E 15 1 -ATOM 889 C C3' . DA C 1 13 . 60.03 52.506 -24.249 1 55 ? C3' DA E 15 1 -ATOM 890 O O3' . DA C 1 13 . 59.366 51.441 -24.985 1 54.15 ? O3' DA E 15 1 -ATOM 891 C C2' . DA C 1 13 . 59.06 53.372 -23.439 1 55 ? C2' DA E 15 1 -ATOM 892 C C1' . DA C 1 13 . 58.828 52.537 -22.177 1 55 ? C1' DA E 15 1 -ATOM 893 N N9 . DA C 1 13 . 58.442 53.214 -20.916 1 55 ? N9 DA E 15 1 -ATOM 894 C C8 . DA C 1 13 . 58.819 54.415 -20.354 1 55 ? C8 DA E 15 1 -ATOM 895 N N7 . DA C 1 13 . 58.245 54.659 -19.183 1 55 ? N7 DA E 15 1 -ATOM 896 C C5 . DA C 1 13 . 57.441 53.549 -18.966 1 55 ? C5 DA E 15 1 -ATOM 897 C C6 . DA C 1 13 . 56.567 53.166 -17.897 1 55 ? C6 DA E 15 1 -ATOM 898 N N6 . DA C 1 13 . 56.336 53.876 -16.772 1 55 ? N6 DA E 15 1 -ATOM 899 N N1 . DA C 1 13 . 55.919 51.984 -18.024 1 51.06 ? N1 DA E 15 1 -ATOM 900 C C2 . DA C 1 13 . 56.134 51.243 -19.125 1 52.9 ? C2 DA E 15 1 -ATOM 901 N N3 . DA C 1 13 . 56.918 51.484 -20.17 1 54.93 ? N3 DA E 15 1 -ATOM 902 C C4 . DA C 1 13 . 57.548 52.658 -20.028 1 55 ? C4 DA E 15 1 -ATOM 903 P P . DC C 1 14 . 59.195 51.524 -26.604 1 55 ? P DC E 14 1 -ATOM 904 O OP1 . DC C 1 14 . 60.535 51.396 -27.248 1 55 ? OP1 DC E 14 1 -ATOM 905 O OP2 . DC C 1 14 . 58.305 52.667 -26.991 1 47.13 ? OP2 DC E 14 1 -ATOM 906 O O5' . DC C 1 14 . 58.337 50.217 -26.93 1 55 ? O5' DC E 14 1 -ATOM 907 C C5' . DC C 1 14 . 56.944 50.331 -27.221 1 55 ? C5' DC E 14 1 -ATOM 908 C C4' . DC C 1 14 . 56.087 49.951 -26.023 1 55 ? C4' DC E 14 1 -ATOM 909 O O4' . DC C 1 14 . 56.365 50.736 -24.811 1 55 ? O4' DC E 14 1 -ATOM 910 C C3' . DC C 1 14 . 54.592 50.189 -26.301 1 55 ? C3' DC E 14 1 -ATOM 911 O O3' . DC C 1 14 . 53.817 49.077 -26.83 1 55 ? O3' DC E 14 1 -ATOM 912 C C2' . DC C 1 14 . 54.029 50.72 -24.984 1 55 ? C2' DC E 14 1 -ATOM 913 C C1' . DC C 1 14 . 55.192 50.605 -23.992 1 55 ? C1' DC E 14 1 -ATOM 914 N N1 . DC C 1 14 . 55.148 51.659 -22.944 1 55 ? N1 DC E 14 1 -ATOM 915 C C2 . DC C 1 14 . 54.368 51.408 -21.78 1 52.47 ? C2 DC E 14 1 -ATOM 916 O O2 . DC C 1 14 . 53.796 50.317 -21.678 1 52.63 ? O2 DC E 14 1 -ATOM 917 N N3 . DC C 1 14 . 54.268 52.375 -20.795 1 55 ? N3 DC E 14 1 -ATOM 918 C C4 . DC C 1 14 . 54.927 53.543 -20.939 1 55 ? C4 DC E 14 1 -ATOM 919 N N4 . DC C 1 14 . 54.818 54.47 -19.936 1 54.4 ? N4 DC E 14 1 -ATOM 920 C C5 . DC C 1 14 . 55.733 53.817 -22.108 1 52.28 ? C5 DC E 14 1 -ATOM 921 C C6 . DC C 1 14 . 55.815 52.856 -23.074 1 51.39 ? C6 DC E 14 1 -ATOM 922 O O5' . DA D 2 1 . 52.196 46.541 -24.451 1 31.3 ? O5' DA F 13 1 -ATOM 923 C C5' . DA D 2 1 . 51.581 46.001 -23.228 1 41.3 ? C5' DA F 13 1 -ATOM 924 C C4' . DA D 2 1 . 50.321 46.697 -22.75 1 42.45 ? C4' DA F 13 1 -ATOM 925 O O4' . DA D 2 1 . 50.662 47.98 -22.131 1 45.17 ? O4' DA F 13 1 -ATOM 926 C C3' . DA D 2 1 . 49.321 47.004 -23.875 1 44.98 ? C3' DA F 13 1 -ATOM 927 O O3' . DA D 2 1 . 48.046 46.436 -23.524 1 46.35 ? O3' DA F 13 1 -ATOM 928 C C2' . DA D 2 1 . 49.338 48.533 -23.993 1 35.4 ? C2' DA F 13 1 -ATOM 929 C C1' . DA D 2 1 . 49.751 48.987 -22.598 1 38.85 ? C1' DA F 13 1 -ATOM 930 N N9 . DA D 2 1 . 50.387 50.318 -22.455 1 38.98 ? N9 DA F 13 1 -ATOM 931 C C8 . DA D 2 1 . 51.613 50.722 -22.895 1 40.38 ? C8 DA F 13 1 -ATOM 932 N N7 . DA D 2 1 . 51.899 51.977 -22.596 1 42.52 ? N7 DA F 13 1 -ATOM 933 C C5 . DA D 2 1 . 50.785 52.437 -21.92 1 40.69 ? C5 DA F 13 1 -ATOM 934 C C6 . DA D 2 1 . 50.474 53.682 -21.298 1 37.34 ? C6 DA F 13 1 -ATOM 935 N N6 . DA D 2 1 . 51.265 54.771 -21.281 1 31.64 ? N6 DA F 13 1 -ATOM 936 N N1 . DA D 2 1 . 49.295 53.785 -20.671 1 36.19 ? N1 DA F 13 1 -ATOM 937 C C2 . DA D 2 1 . 48.483 52.726 -20.664 1 31.26 ? C2 DA F 13 1 -ATOM 938 N N3 . DA D 2 1 . 48.648 51.525 -21.195 1 36.31 ? N3 DA F 13 1 -ATOM 939 C C4 . DA D 2 1 . 49.837 51.433 -21.821 1 42.68 ? C4 DA F 13 1 -ATOM 940 P P . DT D 2 2 . 46.728 46.691 -24.46 1 55 ? P DT F 12 1 -ATOM 941 O OP1 . DT D 2 2 . 45.971 45.42 -24.764 1 53.9 ? OP1 DT F 12 1 -ATOM 942 O OP2 . DT D 2 2 . 47.107 47.604 -25.59 1 52.04 ? OP2 DT F 12 1 -ATOM 943 O O5' . DT D 2 2 . 45.732 47.449 -23.461 1 55 ? O5' DT F 12 1 -ATOM 944 C C5' . DT D 2 2 . 46.145 47.837 -22.12 1 55 ? C5' DT F 12 1 -ATOM 945 C C4' . DT D 2 2 . 45.278 48.98 -21.632 1 52.68 ? C4' DT F 12 1 -ATOM 946 O O4' . DT D 2 2 . 46.029 50.159 -21.256 1 49.1 ? O4' DT F 12 1 -ATOM 947 C C3' . DT D 2 2 . 44.387 49.439 -22.765 1 51.1 ? C3' DT F 12 1 -ATOM 948 O O3' . DT D 2 2 . 43.335 48.484 -22.774 1 45.01 ? O3' DT F 12 1 -ATOM 949 C C2' . DT D 2 2 . 44.076 50.889 -22.424 1 46.07 ? C2' DT F 12 1 -ATOM 950 C C1' . DT D 2 2 . 45.256 51.319 -21.546 1 47.38 ? C1' DT F 12 1 -ATOM 951 N N1 . DT D 2 2 . 46.145 52.344 -22.134 1 52.18 ? N1 DT F 12 1 -ATOM 952 C C2 . DT D 2 2 . 46.13 53.608 -21.549 1 50.13 ? C2 DT F 12 1 -ATOM 953 O O2 . DT D 2 2 . 45.438 53.903 -20.582 1 51.28 ? O2 DT F 12 1 -ATOM 954 N N3 . DT D 2 2 . 46.956 54.519 -22.132 1 46.57 ? N3 DT F 12 1 -ATOM 955 C C4 . DT D 2 2 . 47.789 54.326 -23.192 1 55 ? C4 DT F 12 1 -ATOM 956 O O4 . DT D 2 2 . 48.458 55.256 -23.575 1 55 ? O4 DT F 12 1 -ATOM 957 C C5 . DT D 2 2 . 47.783 52.971 -23.769 1 55 ? C5 DT F 12 1 -ATOM 958 C C7 . DT D 2 2 . 48.68 52.654 -24.93 1 50.79 ? C7 DT F 12 1 -ATOM 959 C C6 . DT D 2 2 . 46.96 52.063 -23.214 1 54.47 ? C6 DT F 12 1 -ATOM 960 P P . DA D 2 3 . 41.836 48.933 -22.564 1 46.55 ? P DA F 11 1 -ATOM 961 O OP1 . DA D 2 3 . 41.275 47.776 -21.806 1 55 ? OP1 DA F 11 1 -ATOM 962 O OP2 . DA D 2 3 . 41.274 49.315 -23.894 1 39.55 ? OP2 DA F 11 1 -ATOM 963 O O5' . DA D 2 3 . 41.856 50.207 -21.604 1 48.88 ? O5' DA F 11 1 -ATOM 964 C C5' . DA D 2 3 . 41.417 50.113 -20.25 1 42.78 ? C5' DA F 11 1 -ATOM 965 C C4' . DA D 2 3 . 40.939 51.457 -19.738 1 35.19 ? C4' DA F 11 1 -ATOM 966 O O4' . DA D 2 3 . 41.801 52.552 -20.135 1 29.52 ? O4' DA F 11 1 -ATOM 967 C C3' . DA D 2 3 . 39.522 51.866 -20.11 1 23.23 ? C3' DA F 11 1 -ATOM 968 O O3' . DA D 2 3 . 39.007 52.433 -18.92 1 21.96 ? O3' DA F 11 1 -ATOM 969 C C2' . DA D 2 3 . 39.746 52.907 -21.207 1 33.06 ? C2' DA F 11 1 -ATOM 970 C C1' . DA D 2 3 . 41.085 53.558 -20.853 1 34.91 ? C1' DA F 11 1 -ATOM 971 N N9 . DA D 2 3 . 41.957 53.988 -21.964 1 40.51 ? N9 DA F 11 1 -ATOM 972 C C8 . DA D 2 3 . 42.041 53.474 -23.229 1 40.12 ? C8 DA F 11 1 -ATOM 973 N N7 . DA D 2 3 . 42.957 54.053 -23.979 1 33.1 ? N7 DA F 11 1 -ATOM 974 C C5 . DA D 2 3 . 43.511 55.022 -23.157 1 32.05 ? C5 DA F 11 1 -ATOM 975 C C6 . DA D 2 3 . 44.559 55.998 -23.355 1 30.22 ? C6 DA F 11 1 -ATOM 976 N N6 . DA D 2 3 . 45.285 56.17 -24.469 1 32.82 ? N6 DA F 11 1 -ATOM 977 N N1 . DA D 2 3 . 44.841 56.817 -22.32 1 37.16 ? N1 DA F 11 1 -ATOM 978 C C2 . DA D 2 3 . 44.136 56.665 -21.167 1 40.96 ? C2 DA F 11 1 -ATOM 979 N N3 . DA D 2 3 . 43.164 55.802 -20.872 1 38.91 ? N3 DA F 11 1 -ATOM 980 C C4 . DA D 2 3 . 42.894 55.004 -21.914 1 34.63 ? C4 DA F 11 1 -ATOM 981 P P . DT D 2 4 . 37.444 52.492 -18.639 1 25.31 ? P DT F 10 1 -ATOM 982 O OP1 . DT D 2 4 . 37.439 52.255 -17.212 1 21.49 ? OP1 DT F 10 1 -ATOM 983 O OP2 . DT D 2 4 . 36.623 51.611 -19.507 1 24.13 ? OP2 DT F 10 1 -ATOM 984 O O5' . DT D 2 4 . 37.177 54.041 -18.904 1 29.28 ? O5' DT F 10 1 -ATOM 985 C C5' . DT D 2 4 . 38.141 54.937 -18.368 1 27.46 ? C5' DT F 10 1 -ATOM 986 C C4' . DT D 2 4 . 37.919 56.362 -18.795 1 23.29 ? C4' DT F 10 1 -ATOM 987 O O4' . DT D 2 4 . 38.799 56.73 -19.866 1 30.99 ? O4' DT F 10 1 -ATOM 988 C C3' . DT D 2 4 . 36.546 56.885 -19.166 1 29.2 ? C3' DT F 10 1 -ATOM 989 O O3' . DT D 2 4 . 36.486 58.027 -18.26 1 28.19 ? O3' DT F 10 1 -ATOM 990 C C2' . DT D 2 4 . 36.656 57.13 -20.684 1 26.83 ? C2' DT F 10 1 -ATOM 991 C C1' . DT D 2 4 . 38.122 57.472 -20.906 1 27.54 ? C1' DT F 10 1 -ATOM 992 N N1 . DT D 2 4 . 38.894 57.151 -22.187 1 38.03 ? N1 DT F 10 1 -ATOM 993 C C2 . DT D 2 4 . 39.951 58.016 -22.554 1 41.72 ? C2 DT F 10 1 -ATOM 994 O O2 . DT D 2 4 . 40.216 59.054 -21.967 1 43.8 ? O2 DT F 10 1 -ATOM 995 N N3 . DT D 2 4 . 40.686 57.607 -23.641 1 38.13 ? N3 DT F 10 1 -ATOM 996 C C4 . DT D 2 4 . 40.495 56.485 -24.393 1 27.21 ? C4 DT F 10 1 -ATOM 997 O O4 . DT D 2 4 . 41.268 56.252 -25.297 1 34.86 ? O4 DT F 10 1 -ATOM 998 C C5 . DT D 2 4 . 39.364 55.656 -24.018 1 28.27 ? C5 DT F 10 1 -ATOM 999 C C7 . DT D 2 4 . 39.06 54.429 -24.814 1 28.01 ? C7 DT F 10 1 -ATOM 1000 C C6 . DT D 2 4 . 38.624 56.027 -22.956 1 34.11 ? C6 DT F 10 1 -ATOM 1001 P P . DG D 2 5 . 35.672 59.367 -18.605 1 19.85 ? P DG F 9 1 -ATOM 1002 O OP1 . DG D 2 5 . 35.538 59.937 -17.258 1 29.14 ? OP1 DG F 9 1 -ATOM 1003 O OP2 . DG D 2 5 . 34.423 59.2 -19.435 1 19.55 ? OP2 DG F 9 1 -ATOM 1004 O O5' . DG D 2 5 . 36.811 60.228 -19.246 1 22.89 ? O5' DG F 9 1 -ATOM 1005 C C5' . DG D 2 5 . 37.757 60.811 -18.379 1 29.57 ? C5' DG F 9 1 -ATOM 1006 C C4' . DG D 2 5 . 38.074 62.225 -18.806 1 25.07 ? C4' DG F 9 1 -ATOM 1007 O O4' . DG D 2 5 . 38.736 62.193 -20.087 1 20.95 ? O4' DG F 9 1 -ATOM 1008 C C3' . DG D 2 5 . 36.879 63.148 -18.993 1 23.23 ? C3' DG F 9 1 -ATOM 1009 O O3' . DG D 2 5 . 37.364 64.488 -18.898 1 34.69 ? O3' DG F 9 1 -ATOM 1010 C C2' . DG D 2 5 . 36.502 62.869 -20.419 1 21.51 ? C2' DG F 9 1 -ATOM 1011 C C1' . DG D 2 5 . 37.871 62.686 -21.036 1 21.86 ? C1' DG F 9 1 -ATOM 1012 N N9 . DG D 2 5 . 37.826 61.772 -22.142 1 22.16 ? N9 DG F 9 1 -ATOM 1013 C C8 . DG D 2 5 . 37.06 60.675 -22.294 1 18.22 ? C8 DG F 9 1 -ATOM 1014 N N7 . DG D 2 5 . 37.229 60.095 -23.444 1 29.66 ? N7 DG F 9 1 -ATOM 1015 C C5 . DG D 2 5 . 38.179 60.875 -24.077 1 32.74 ? C5 DG F 9 1 -ATOM 1016 C C6 . DG D 2 5 . 38.746 60.773 -25.351 1 36.61 ? C6 DG F 9 1 -ATOM 1017 O O6 . DG D 2 5 . 38.503 59.939 -26.236 1 37.57 ? O6 DG F 9 1 -ATOM 1018 N N1 . DG D 2 5 . 39.686 61.78 -25.58 1 33.84 ? N1 DG F 9 1 -ATOM 1019 C C2 . DG D 2 5 . 40.027 62.77 -24.68 1 39.28 ? C2 DG F 9 1 -ATOM 1020 N N2 . DG D 2 5 . 40.984 63.67 -25.035 1 37.76 ? N2 DG F 9 1 -ATOM 1021 N N3 . DG D 2 5 . 39.474 62.877 -23.5 1 37.04 ? N3 DG F 9 1 -ATOM 1022 C C4 . DG D 2 5 . 38.566 61.899 -23.271 1 33.89 ? C4 DG F 9 1 -ATOM 1023 P P . DT D 2 6 . 36.4 65.721 -19.21 1 36.67 ? P DT F 8 1 -ATOM 1024 O OP1 . DT D 2 6 . 36.894 66.806 -18.292 1 36.61 ? OP1 DT F 8 1 -ATOM 1025 O OP2 . DT D 2 6 . 34.989 65.228 -19.094 1 27.67 ? OP2 DT F 8 1 -ATOM 1026 O O5' . DT D 2 6 . 36.698 66.089 -20.755 1 39.41 ? O5' DT F 8 1 -ATOM 1027 C C5' . DT D 2 6 . 38.05 66.099 -21.274 1 39.26 ? C5' DT F 8 1 -ATOM 1028 C C4' . DT D 2 6 . 38.192 67.018 -22.471 1 33.08 ? C4' DT F 8 1 -ATOM 1029 O O4' . DT D 2 6 . 38.414 66.244 -23.683 1 31.25 ? O4' DT F 8 1 -ATOM 1030 C C3' . DT D 2 6 . 36.968 67.883 -22.727 1 32.96 ? C3' DT F 8 1 -ATOM 1031 O O3' . DT D 2 6 . 37.319 69.115 -23.352 1 34.95 ? O3' DT F 8 1 -ATOM 1032 C C2' . DT D 2 6 . 36.193 67.06 -23.714 1 32.42 ? C2' DT F 8 1 -ATOM 1033 C C1' . DT D 2 6 . 37.288 66.371 -24.525 1 33.16 ? C1' DT F 8 1 -ATOM 1034 N N1 . DT D 2 6 . 36.805 65.033 -24.971 1 28.95 ? N1 DT F 8 1 -ATOM 1035 C C2 . DT D 2 6 . 37.477 64.342 -25.924 1 29.83 ? C2 DT F 8 1 -ATOM 1036 O O2 . DT D 2 6 . 38.498 64.732 -26.403 1 40.47 ? O2 DT F 8 1 -ATOM 1037 N N3 . DT D 2 6 . 36.91 63.171 -26.298 1 28.22 ? N3 DT F 8 1 -ATOM 1038 C C4 . DT D 2 6 . 35.758 62.623 -25.816 1 26.31 ? C4 DT F 8 1 -ATOM 1039 O O4 . DT D 2 6 . 35.362 61.579 -26.263 1 33.65 ? O4 DT F 8 1 -ATOM 1040 C C5 . DT D 2 6 . 35.1 63.369 -24.793 1 28.16 ? C5 DT F 8 1 -ATOM 1041 C C7 . DT D 2 6 . 33.83 62.824 -24.188 1 24.72 ? C7 DT F 8 1 -ATOM 1042 C C6 . DT D 2 6 . 35.652 64.527 -24.42 1 27.42 ? C6 DT F 8 1 -ATOM 1043 P P . DC D 2 7 . 36.433 70.448 -23.065 1 41.78 ? P DC F 7 1 -ATOM 1044 O OP1 . DC D 2 7 . 37.409 71.404 -22.521 1 42.03 ? OP1 DC F 7 1 -ATOM 1045 O OP2 . DC D 2 7 . 35.115 70.273 -22.361 1 33.42 ? OP2 DC F 7 1 -ATOM 1046 O O5' . DC D 2 7 . 36.07 70.94 -24.525 1 36.89 ? O5' DC F 7 1 -ATOM 1047 C C5' . DC D 2 7 . 37.074 71.156 -25.522 1 28.88 ? C5' DC F 7 1 -ATOM 1048 C C4' . DC D 2 7 . 36.363 71.298 -26.83 1 30.64 ? C4' DC F 7 1 -ATOM 1049 O O4' . DC D 2 7 . 36.028 69.937 -27.246 1 25.93 ? O4' DC F 7 1 -ATOM 1050 C C3' . DC D 2 7 . 35.039 72.004 -26.488 1 38.23 ? C3' DC F 7 1 -ATOM 1051 O O3' . DC D 2 7 . 34.697 73.146 -27.282 1 43.55 ? O3' DC F 7 1 -ATOM 1052 C C2' . DC D 2 7 . 33.981 70.932 -26.586 1 38.97 ? C2' DC F 7 1 -ATOM 1053 C C1' . DC D 2 7 . 34.618 69.853 -27.453 1 40.17 ? C1' DC F 7 1 -ATOM 1054 N N1 . DC D 2 7 . 34.074 68.496 -27.113 1 38.99 ? N1 DC F 7 1 -ATOM 1055 C C2 . DC D 2 7 . 34.634 67.312 -27.657 1 39.07 ? C2 DC F 7 1 -ATOM 1056 O O2 . DC D 2 7 . 35.623 67.386 -28.434 1 45.21 ? O2 DC F 7 1 -ATOM 1057 N N3 . DC D 2 7 . 34.066 66.115 -27.324 1 27.67 ? N3 DC F 7 1 -ATOM 1058 C C4 . DC D 2 7 . 33.017 66.081 -26.524 1 29.36 ? C4 DC F 7 1 -ATOM 1059 N N4 . DC D 2 7 . 32.503 64.931 -26.254 1 28.91 ? N4 DC F 7 1 -ATOM 1060 C C5 . DC D 2 7 . 32.447 67.243 -25.967 1 40.15 ? C5 DC F 7 1 -ATOM 1061 C C6 . DC D 2 7 . 32.994 68.41 -26.273 1 40.85 ? C6 DC F 7 1 -ATOM 1062 P P . DA D 2 8 . 33.414 74.059 -26.862 1 53.93 ? P DA F 6 1 -ATOM 1063 O OP1 . DA D 2 8 . 34.057 75.392 -26.618 1 55 ? OP1 DA F 6 1 -ATOM 1064 O OP2 . DA D 2 8 . 32.496 73.443 -25.823 1 39.57 ? OP2 DA F 6 1 -ATOM 1065 O O5' . DA D 2 8 . 32.554 74.101 -28.196 1 46.92 ? O5' DA F 6 1 -ATOM 1066 C C5' . DA D 2 8 . 33.167 73.698 -29.403 1 42.42 ? C5' DA F 6 1 -ATOM 1067 C C4' . DA D 2 8 . 32.126 73.396 -30.447 1 50.7 ? C4' DA F 6 1 -ATOM 1068 O O4' . DA D 2 8 . 31.749 72.009 -30.415 1 49.45 ? O4' DA F 6 1 -ATOM 1069 C C3' . DA D 2 8 . 30.829 74.166 -30.296 1 47.93 ? C3' DA F 6 1 -ATOM 1070 O O3' . DA D 2 8 . 30.318 74.255 -31.642 1 53.68 ? O3' DA F 6 1 -ATOM 1071 C C2' . DA D 2 8 . 30.033 73.228 -29.398 1 47.48 ? C2' DA F 6 1 -ATOM 1072 C C1' . DA D 2 8 . 30.399 71.884 -29.994 1 53.11 ? C1' DA F 6 1 -ATOM 1073 N N9 . DA D 2 8 . 30.361 70.722 -29.116 1 51.97 ? N9 DA F 6 1 -ATOM 1074 C C8 . DA D 2 8 . 30.682 70.603 -27.79 1 42.75 ? C8 DA F 6 1 -ATOM 1075 N N7 . DA D 2 8 . 30.56 69.386 -27.331 1 47.98 ? N7 DA F 6 1 -ATOM 1076 C C5 . DA D 2 8 . 30.124 68.657 -28.434 1 53.16 ? C5 DA F 6 1 -ATOM 1077 C C6 . DA D 2 8 . 29.817 67.295 -28.615 1 55 ? C6 DA F 6 1 -ATOM 1078 N N6 . DA D 2 8 . 29.913 66.396 -27.634 1 55 ? N6 DA F 6 1 -ATOM 1079 N N1 . DA D 2 8 . 29.407 66.886 -29.851 1 52.93 ? N1 DA F 6 1 -ATOM 1080 C C2 . DA D 2 8 . 29.322 67.794 -30.821 1 44.78 ? C2 DA F 6 1 -ATOM 1081 N N3 . DA D 2 8 . 29.59 69.102 -30.771 1 54.97 ? N3 DA F 6 1 -ATOM 1082 C C4 . DA D 2 8 . 29.99 69.469 -29.533 1 53.44 ? C4 DA F 6 1 -ATOM 1083 P P . DC D 2 9 . 29.468 75.536 -32.143 1 46.67 ? P DC F 5 1 -ATOM 1084 O OP1 . DC D 2 9 . 30.257 75.987 -33.325 1 50.45 ? OP1 DC F 5 1 -ATOM 1085 O OP2 . DC D 2 9 . 29.119 76.521 -31.047 1 49.02 ? OP2 DC F 5 1 -ATOM 1086 O O5' . DC D 2 9 . 28.13 74.833 -32.651 1 41.87 ? O5' DC F 5 1 -ATOM 1087 C C5' . DC D 2 9 . 28.21 73.631 -33.429 1 45.32 ? C5' DC F 5 1 -ATOM 1088 C C4' . DC D 2 9 . 26.855 72.979 -33.548 1 42.97 ? C4' DC F 5 1 -ATOM 1089 O O4' . DC D 2 9 . 26.819 71.829 -32.685 1 49.2 ? O4' DC F 5 1 -ATOM 1090 C C3' . DC D 2 9 . 25.672 73.85 -33.143 1 42.69 ? C3' DC F 5 1 -ATOM 1091 O O3' . DC D 2 9 . 24.552 73.544 -34.01 1 50.45 ? O3' DC F 5 1 -ATOM 1092 C C2' . DC D 2 9 . 25.412 73.42 -31.696 1 44.72 ? C2' DC F 5 1 -ATOM 1093 C C1' . DC D 2 9 . 25.736 71.926 -31.738 1 50.94 ? C1' DC F 5 1 -ATOM 1094 N N1 . DC D 2 9 . 26.172 71.245 -30.469 1 46.13 ? N1 DC F 5 1 -ATOM 1095 C C2 . DC D 2 9 . 26.309 69.818 -30.451 1 51.37 ? C2 DC F 5 1 -ATOM 1096 O O2 . DC D 2 9 . 26.042 69.165 -31.466 1 53.46 ? O2 DC F 5 1 -ATOM 1097 N N3 . DC D 2 9 . 26.727 69.192 -29.32 1 54.36 ? N3 DC F 5 1 -ATOM 1098 C C4 . DC D 2 9 . 27 69.907 -28.228 1 54.99 ? C4 DC F 5 1 -ATOM 1099 N N4 . DC D 2 9 . 27.414 69.243 -27.139 1 46.19 ? N4 DC F 5 1 -ATOM 1100 C C5 . DC D 2 9 . 26.863 71.338 -28.204 1 52.13 ? C5 DC F 5 1 -ATOM 1101 C C6 . DC D 2 9 . 26.449 71.958 -29.335 1 49.39 ? C6 DC F 5 1 -ATOM 1102 P P . DA D 2 10 . 24.433 74.19 -35.511 1 45.95 ? P DA F 4 1 -ATOM 1103 O OP1 . DA D 2 10 . 25.683 74.053 -36.303 1 34.48 ? OP1 DA F 4 1 -ATOM 1104 O OP2 . DA D 2 10 . 23.812 75.534 -35.333 1 39.41 ? OP2 DA F 4 1 -ATOM 1105 O O5' . DA D 2 10 . 23.388 73.213 -36.229 1 42.5 ? O5' DA F 4 1 -ATOM 1106 C C5' . DA D 2 10 . 23.835 72.267 -37.213 1 38.52 ? C5' DA F 4 1 -ATOM 1107 C C4' . DA D 2 10 . 23.231 70.892 -36.991 1 35.99 ? C4' DA F 4 1 -ATOM 1108 O O4' . DA D 2 10 . 23.53 70.482 -35.643 1 37.73 ? O4' DA F 4 1 -ATOM 1109 C C3' . DA D 2 10 . 21.723 70.673 -37.2 1 35.99 ? C3' DA F 4 1 -ATOM 1110 O O3' . DA D 2 10 . 21.567 69.482 -38.026 1 35.44 ? O3' DA F 4 1 -ATOM 1111 C C2' . DA D 2 10 . 21.18 70.516 -35.785 1 33.37 ? C2' DA F 4 1 -ATOM 1112 C C1' . DA D 2 10 . 22.375 70.004 -34.966 1 38.01 ? C1' DA F 4 1 -ATOM 1113 N N9 . DA D 2 10 . 22.524 70.426 -33.556 1 38.99 ? N9 DA F 4 1 -ATOM 1114 C C8 . DA D 2 10 . 22.369 71.682 -33.021 1 43.06 ? C8 DA F 4 1 -ATOM 1115 N N7 . DA D 2 10 . 22.607 71.748 -31.718 1 42.94 ? N7 DA F 4 1 -ATOM 1116 C C5 . DA D 2 10 . 22.936 70.456 -31.37 1 44.85 ? C5 DA F 4 1 -ATOM 1117 C C6 . DA D 2 10 . 23.314 69.859 -30.12 1 47.21 ? C6 DA F 4 1 -ATOM 1118 N N6 . DA D 2 10 . 23.425 70.512 -28.951 1 39.79 ? N6 DA F 4 1 -ATOM 1119 N N1 . DA D 2 10 . 23.58 68.533 -30.121 1 47.12 ? N1 DA F 4 1 -ATOM 1120 C C2 . DA D 2 10 . 23.469 67.861 -31.305 1 47.74 ? C2 DA F 4 1 -ATOM 1121 N N3 . DA D 2 10 . 23.13 68.307 -32.522 1 40.17 ? N3 DA F 4 1 -ATOM 1122 C C4 . DA D 2 10 . 22.878 69.62 -32.491 1 44.31 ? C4 DA F 4 1 -ATOM 1123 P P . DC D 2 11 . 20.095 68.958 -38.513 1 47.89 ? P DC F 3 1 -ATOM 1124 O OP1 . DC D 2 11 . 20.241 68.29 -39.818 1 36.78 ? OP1 DC F 3 1 -ATOM 1125 O OP2 . DC D 2 11 . 19.014 69.985 -38.333 1 39.32 ? OP2 DC F 3 1 -ATOM 1126 O O5' . DC D 2 11 . 19.816 67.764 -37.506 1 45.4 ? O5' DC F 3 1 -ATOM 1127 C C5' . DC D 2 11 . 20.904 67.079 -36.902 1 41.57 ? C5' DC F 3 1 -ATOM 1128 C C4' . DC D 2 11 . 20.377 66.265 -35.761 1 39.86 ? C4' DC F 3 1 -ATOM 1129 O O4' . DC D 2 11 . 20.571 67.009 -34.539 1 38.8 ? O4' DC F 3 1 -ATOM 1130 C C3' . DC D 2 11 . 18.867 66.061 -35.924 1 38.18 ? C3' DC F 3 1 -ATOM 1131 O O3' . DC D 2 11 . 18.538 64.677 -35.799 1 41.93 ? O3' DC F 3 1 -ATOM 1132 C C2' . DC D 2 11 . 18.252 66.909 -34.824 1 34.44 ? C2' DC F 3 1 -ATOM 1133 C C1' . DC D 2 11 . 19.36 66.955 -33.78 1 44.33 ? C1' DC F 3 1 -ATOM 1134 N N1 . DC D 2 11 . 19.335 68.103 -32.828 1 44.31 ? N1 DC F 3 1 -ATOM 1135 C C2 . DC D 2 11 . 19.13 67.874 -31.472 1 36.7 ? C2 DC F 3 1 -ATOM 1136 O O2 . DC D 2 11 . 18.968 66.738 -31.036 1 32.6 ? O2 DC F 3 1 -ATOM 1137 N N3 . DC D 2 11 . 19.122 68.905 -30.647 1 37.26 ? N3 DC F 3 1 -ATOM 1138 C C4 . DC D 2 11 . 19.315 70.137 -31.089 1 35.75 ? C4 DC F 3 1 -ATOM 1139 N N4 . DC D 2 11 . 19.324 71.093 -30.184 1 38.64 ? N4 DC F 3 1 -ATOM 1140 C C5 . DC D 2 11 . 19.512 70.419 -32.437 1 37.1 ? C5 DC F 3 1 -ATOM 1141 C C6 . DC D 2 11 . 19.516 69.381 -33.275 1 46.31 ? C6 DC F 3 1 -ATOM 1142 P P . DT D 2 12 . 16.998 64.236 -35.654 1 50.71 ? P DT F 2 1 -ATOM 1143 O OP1 . DT D 2 12 . 16.766 62.963 -36.394 1 53.39 ? OP1 DT F 2 1 -ATOM 1144 O OP2 . DT D 2 12 . 16.169 65.423 -35.958 1 48.71 ? OP2 DT F 2 1 -ATOM 1145 O O5' . DT D 2 12 . 16.793 63.922 -34.088 1 55 ? O5' DT F 2 1 -ATOM 1146 C C5' . DT D 2 12 . 17.625 62.959 -33.412 1 45.84 ? C5' DT F 2 1 -ATOM 1147 C C4' . DT D 2 12 . 17.117 62.673 -32.016 1 42.4 ? C4' DT F 2 1 -ATOM 1148 O O4' . DT D 2 12 . 17.342 63.812 -31.161 1 41.36 ? O4' DT F 2 1 -ATOM 1149 C C3' . DT D 2 12 . 15.64 62.293 -31.869 1 43.22 ? C3' DT F 2 1 -ATOM 1150 O O3' . DT D 2 12 . 15.595 61.14 -30.989 1 31.01 ? O3' DT F 2 1 -ATOM 1151 C C2' . DT D 2 12 . 15.006 63.56 -31.304 1 37.22 ? C2' DT F 2 1 -ATOM 1152 C C1' . DT D 2 12 . 16.144 64.164 -30.494 1 42.95 ? C1' DT F 2 1 -ATOM 1153 N N1 . DT D 2 12 . 16.141 65.626 -30.366 1 40.49 ? N1 DT F 2 1 -ATOM 1154 C C2 . DT D 2 12 . 16.151 66.163 -29.115 1 43.06 ? C2 DT F 2 1 -ATOM 1155 O O2 . DT D 2 12 . 16.173 65.484 -28.112 1 47.23 ? O2 DT F 2 1 -ATOM 1156 N N3 . DT D 2 12 . 16.142 67.531 -29.071 1 46.85 ? N3 DT F 2 1 -ATOM 1157 C C4 . DT D 2 12 . 16.132 68.391 -30.137 1 48.2 ? C4 DT F 2 1 -ATOM 1158 O O4 . DT D 2 12 . 16.113 69.595 -29.945 1 43.15 ? O4 DT F 2 1 -ATOM 1159 C C5 . DT D 2 12 . 16.141 67.755 -31.433 1 48.16 ? C5 DT F 2 1 -ATOM 1160 C C7 . DT D 2 12 . 16.164 68.603 -32.665 1 53.06 ? C7 DT F 2 1 -ATOM 1161 C C6 . DT D 2 12 . 16.134 66.42 -31.478 1 43.85 ? C6 DT F 2 1 -ATOM 1162 P P . DT D 2 13 . 14.211 60.367 -30.683 1 37.37 ? P DT F 1 1 -ATOM 1163 O OP1 . DT D 2 13 . 14.67 58.976 -30.506 1 37.79 ? OP1 DT F 1 1 -ATOM 1164 O OP2 . DT D 2 13 . 13.087 60.673 -31.585 1 41.13 ? OP2 DT F 1 1 -ATOM 1165 O O5' . DT D 2 13 . 13.816 60.894 -29.251 1 39.3 ? O5' DT F 1 1 -ATOM 1166 C C5' . DT D 2 13 . 14.78 60.741 -28.217 1 44.59 ? C5' DT F 1 1 -ATOM 1167 C C4' . DT D 2 13 . 14.428 61.566 -27.007 1 43.29 ? C4' DT F 1 1 -ATOM 1168 O O4' . DT D 2 13 . 14.473 62.95 -27.389 1 40.87 ? O4' DT F 1 1 -ATOM 1169 C C3' . DT D 2 13 . 13.051 61.303 -26.387 1 35.48 ? C3' DT F 1 1 -ATOM 1170 O O3' . DT D 2 13 . 13.27 60.727 -25.087 1 27.2 ? O3' DT F 1 1 -ATOM 1171 C C2' . DT D 2 13 . 12.371 62.674 -26.395 1 38.9 ? C2' DT F 1 1 -ATOM 1172 C C1' . DT D 2 13 . 13.505 63.655 -26.648 1 39.45 ? C1' DT F 1 1 -ATOM 1173 N N1 . DT D 2 13 . 13.227 64.908 -27.39 1 45.13 ? N1 DT F 1 1 -ATOM 1174 C C2 . DT D 2 13 . 12.983 66.063 -26.645 1 47.04 ? C2 DT F 1 1 -ATOM 1175 O O2 . DT D 2 13 . 12.954 66.077 -25.422 1 45.09 ? O2 DT F 1 1 -ATOM 1176 N N3 . DT D 2 13 . 12.777 67.215 -27.393 1 48.66 ? N3 DT F 1 1 -ATOM 1177 C C4 . DT D 2 13 . 12.788 67.338 -28.778 1 45.61 ? C4 DT F 1 1 -ATOM 1178 O O4 . DT D 2 13 . 12.612 68.462 -29.282 1 42.66 ? O4 DT F 1 1 -ATOM 1179 C C5 . DT D 2 13 . 13.029 66.055 -29.519 1 46.36 ? C5 DT F 1 1 -ATOM 1180 C C7 . DT D 2 13 . 13.038 66.047 -31.023 1 32.8 ? C7 DT F 1 1 -ATOM 1181 C C6 . DT D 2 13 . 13.23 64.933 -28.786 1 42.1 ? C6 DT F 1 1 -ATOM 1182 P P . DT D 2 14 . 12.041 60.373 -24.103 1 29.86 ? P DT F -1 1 -ATOM 1183 O OP1 . DT D 2 14 . 12.653 59.369 -23.228 1 32.32 ? OP1 DT F -1 1 -ATOM 1184 O OP2 . DT D 2 14 . 10.742 60.052 -24.723 1 26.97 ? OP2 DT F -1 1 -ATOM 1185 O O5' . DT D 2 14 . 11.836 61.724 -23.286 1 29.26 ? O5' DT F -1 1 -ATOM 1186 C C5' . DT D 2 14 . 12.94 62.296 -22.597 1 26.87 ? C5' DT F -1 1 -ATOM 1187 C C4' . DT D 2 14 . 12.53 63.513 -21.795 1 34.36 ? C4' DT F -1 1 -ATOM 1188 O O4' . DT D 2 14 . 12.483 64.727 -22.577 1 33.07 ? O4' DT F -1 1 -ATOM 1189 C C3' . DT D 2 14 . 11.238 63.454 -20.975 1 25.9 ? C3' DT F -1 1 -ATOM 1190 O O3' . DT D 2 14 . 11.638 63.91 -19.689 1 29.62 ? O3' DT F -1 1 -ATOM 1191 C C2' . DT D 2 14 . 10.336 64.462 -21.654 1 26.94 ? C2' DT F -1 1 -ATOM 1192 C C1' . DT D 2 14 . 11.327 65.492 -22.217 1 37 ? C1' DT F -1 1 -ATOM 1193 N N1 . DT D 2 14 . 10.823 66.158 -23.458 1 39.62 ? N1 DT F -1 1 -ATOM 1194 C C2 . DT D 2 14 . 10.977 67.524 -23.72 1 31.97 ? C2 DT F -1 1 -ATOM 1195 O O2 . DT D 2 14 . 11.529 68.329 -23.004 1 23.3 ? O2 DT F -1 1 -ATOM 1196 N N3 . DT D 2 14 . 10.44 67.908 -24.903 1 38.09 ? N3 DT F -1 1 -ATOM 1197 C C4 . DT D 2 14 . 9.791 67.126 -25.835 1 36.94 ? C4 DT F -1 1 -ATOM 1198 O O4 . DT D 2 14 . 9.379 67.645 -26.859 1 43.13 ? O4 DT F -1 1 -ATOM 1199 C C5 . DT D 2 14 . 9.666 65.742 -25.503 1 33.31 ? C5 DT F -1 1 -ATOM 1200 C C7 . DT D 2 14 . 8.969 64.811 -26.435 1 33.24 ? C7 DT F -1 1 -ATOM 1201 C C6 . DT D 2 14 . 10.18 65.338 -24.359 1 39.53 ? C6 DT F -1 1 -ATOM 1202 P P . DT D 2 15 . 10.635 63.887 -18.449 1 33.08 ? P DT F -2 1 -ATOM 1203 O OP1 . DT D 2 15 . 11.466 63.544 -17.268 1 35.7 ? OP1 DT F -2 1 -ATOM 1204 O OP2 . DT D 2 15 . 9.448 63.059 -18.777 1 22.39 ? OP2 DT F -2 1 -ATOM 1205 O O5' . DT D 2 15 . 10.324 65.44 -18.32 1 39.52 ? O5' DT F -2 1 -ATOM 1206 C C5' . DT D 2 15 . 11.407 66.369 -18.33 1 37.29 ? C5' DT F -2 1 -ATOM 1207 C C4' . DT D 2 15 . 10.894 67.779 -18.48 1 38.91 ? C4' DT F -2 1 -ATOM 1208 O O4' . DT D 2 15 . 10.477 68.026 -19.835 1 37.89 ? O4' DT F -2 1 -ATOM 1209 C C3' . DT D 2 15 . 9.705 68.158 -17.602 1 35.31 ? C3' DT F -2 1 -ATOM 1210 O O3' . DT D 2 15 . 10.103 69.353 -16.945 1 37.19 ? O3' DT F -2 1 -ATOM 1211 C C2' . DT D 2 15 . 8.556 68.387 -18.593 1 32.7 ? C2' DT F -2 1 -ATOM 1212 C C1' . DT D 2 15 . 9.26 68.79 -19.87 1 29.02 ? C1' DT F -2 1 -ATOM 1213 N N1 . DT D 2 15 . 8.613 68.484 -21.196 1 33.93 ? N1 DT F -2 1 -ATOM 1214 C C2 . DT D 2 15 . 8.593 69.436 -22.228 1 26.19 ? C2 DT F -2 1 -ATOM 1215 O O2 . DT D 2 15 . 9.008 70.557 -22.115 1 19.7 ? O2 DT F -2 1 -ATOM 1216 N N3 . DT D 2 15 . 8.041 68.994 -23.399 1 28.92 ? N3 DT F -2 1 -ATOM 1217 C C4 . DT D 2 15 . 7.494 67.749 -23.642 1 35.65 ? C4 DT F -2 1 -ATOM 1218 O O4 . DT D 2 15 . 7.04 67.503 -24.734 1 36.13 ? O4 DT F -2 1 -ATOM 1219 C C5 . DT D 2 15 . 7.518 66.826 -22.522 1 39.74 ? C5 DT F -2 1 -ATOM 1220 C C7 . DT D 2 15 . 6.937 65.459 -22.67 1 41.57 ? C7 DT F -2 1 -ATOM 1221 C C6 . DT D 2 15 . 8.067 67.234 -21.381 1 40.75 ? C6 DT F -2 1 -ATOM 1222 P P . DC D 2 16 . 9.409 69.808 -15.583 1 39.34 ? P DC F -3 1 -ATOM 1223 O OP1 . DC D 2 16 . 10.513 70.651 -15.056 1 35.77 ? OP1 DC F -3 1 -ATOM 1224 O OP2 . DC D 2 16 . 8.834 68.721 -14.741 1 37.47 ? OP2 DC F -3 1 -ATOM 1225 O O5' . DC D 2 16 . 8.205 70.704 -16.113 1 41.02 ? O5' DC F -3 1 -ATOM 1226 C C5' . DC D 2 16 . 8.456 71.848 -16.926 1 42.31 ? C5' DC F -3 1 -ATOM 1227 C C4' . DC D 2 16 . 7.165 72.565 -17.188 1 40.83 ? C4' DC F -3 1 -ATOM 1228 O O4' . DC D 2 16 . 6.615 71.941 -18.376 1 45.26 ? O4' DC F -3 1 -ATOM 1229 C C3' . DC D 2 16 . 6.163 72.309 -16.059 1 44.39 ? C3' DC F -3 1 -ATOM 1230 O O3' . DC D 2 16 . 5.201 73.377 -15.861 1 50.43 ? O3' DC F -3 1 -ATOM 1231 C C2' . DC D 2 16 . 5.394 71.111 -16.6 1 48.55 ? C2' DC F -3 1 -ATOM 1232 C C1' . DC D 2 16 . 5.306 71.474 -18.084 1 44.37 ? C1' DC F -3 1 -ATOM 1233 N N1 . DC D 2 16 . 4.941 70.361 -19.023 1 45.6 ? N1 DC F -3 1 -ATOM 1234 C C2 . DC D 2 16 . 4.582 70.63 -20.387 1 40.09 ? C2 DC F -3 1 -ATOM 1235 O O2 . DC D 2 16 . 4.556 71.8 -20.817 1 41.42 ? O2 DC F -3 1 -ATOM 1236 N N3 . DC D 2 16 . 4.266 69.59 -21.19 1 40.43 ? N3 DC F -3 1 -ATOM 1237 C C4 . DC D 2 16 . 4.284 68.349 -20.717 1 36.71 ? C4 DC F -3 1 -ATOM 1238 N N4 . DC D 2 16 . 3.971 67.366 -21.539 1 43.96 ? N4 DC F -3 1 -ATOM 1239 C C5 . DC D 2 16 . 4.626 68.055 -19.382 1 42.37 ? C5 DC F -3 1 -ATOM 1240 C C6 . DC D 2 16 . 4.945 69.071 -18.575 1 45.7 ? C6 DC F -3 1 -ATOM 1241 P P . DG D 2 17 . 5.671 74.894 -15.672 1 43.19 ? P DG F -4 1 -ATOM 1242 O OP1 . DG D 2 17 . 6.963 75.115 -16.35 1 40.81 ? OP1 DG F -4 1 -ATOM 1243 O OP2 . DG D 2 17 . 5.511 75.198 -14.236 1 39.21 ? OP2 DG F -4 1 -ATOM 1244 O O5' . DG D 2 17 . 4.607 75.755 -16.475 1 38.47 ? O5' DG F -4 1 -ATOM 1245 C C5' . DG D 2 17 . 5.04 76.541 -17.577 1 43.61 ? C5' DG F -4 1 -ATOM 1246 C C4' . DG D 2 17 . 3.874 76.885 -18.474 1 38.71 ? C4' DG F -4 1 -ATOM 1247 O O4' . DG D 2 17 . 3.402 75.699 -19.149 1 44.69 ? O4' DG F -4 1 -ATOM 1248 C C3' . DG D 2 17 . 2.662 77.369 -17.7 1 37.32 ? C3' DG F -4 1 -ATOM 1249 O O3' . DG D 2 17 . 1.877 77.912 -18.773 1 24.26 ? O3' DG F -4 1 -ATOM 1250 C C2' . DG D 2 17 . 2.082 76.041 -17.251 1 37.46 ? C2' DG F -4 1 -ATOM 1251 C C1' . DG D 2 17 . 2.116 75.375 -18.604 1 41.04 ? C1' DG F -4 1 -ATOM 1252 N N9 . DG D 2 17 . 1.925 73.926 -18.685 1 40.79 ? N9 DG F -4 1 -ATOM 1253 C C8 . DG D 2 17 . 2.1 72.965 -17.731 1 36.59 ? C8 DG F -4 1 -ATOM 1254 N N7 . DG D 2 17 . 1.858 71.766 -18.176 1 36.33 ? N7 DG F -4 1 -ATOM 1255 C C5 . DG D 2 17 . 1.494 71.953 -19.497 1 41.94 ? C5 DG F -4 1 -ATOM 1256 C C6 . DG D 2 17 . 1.145 71.023 -20.505 1 45.23 ? C6 DG F -4 1 -ATOM 1257 O O6 . DG D 2 17 . 1.038 69.8 -20.42 1 51.56 ? O6 DG F -4 1 -ATOM 1258 N N1 . DG D 2 17 . 0.898 71.652 -21.726 1 44.14 ? N1 DG F -4 1 -ATOM 1259 C C2 . DG D 2 17 . 0.961 73.005 -21.946 1 44.21 ? C2 DG F -4 1 -ATOM 1260 N N2 . DG D 2 17 . 0.703 73.449 -23.193 1 43.56 ? N2 DG F -4 1 -ATOM 1261 N N3 . DG D 2 17 . 1.263 73.871 -21.012 1 48.86 ? N3 DG F -4 1 -ATOM 1262 C C4 . DG D 2 17 . 1.523 73.279 -19.822 1 43.52 ? C4 DG F -4 1 -ATOM 1263 N N . PRO E 3 9 . 2.133 51.592 15.835 1 51.36 ? N PRO A 9 1 -ATOM 1264 C CA . PRO E 3 9 . 3.6 51.747 16.013 1 51.53 ? CA PRO A 9 1 -ATOM 1265 C C . PRO E 3 9 . 3.942 53.171 16.474 1 47.65 ? C PRO A 9 1 -ATOM 1266 O O . PRO E 3 9 . 3.141 54.09 16.286 1 45.67 ? O PRO A 9 1 -ATOM 1267 C CB . PRO E 3 9 . 4.208 51.395 14.66 1 53.62 ? CB PRO A 9 1 -ATOM 1268 C CG . PRO E 3 9 . 3.317 50.225 14.266 1 46.46 ? CG PRO A 9 1 -ATOM 1269 C CD . PRO E 3 9 . 1.908 50.764 14.615 1 51.33 ? CD PRO A 9 1 -ATOM 1270 N N . THR E 3 10 . 5.127 53.369 17.041 1 46.94 ? N THR A 10 1 -ATOM 1271 C CA . THR E 3 10 . 5.474 54.683 17.538 1 45.64 ? CA THR A 10 1 -ATOM 1272 C C . THR E 3 10 . 6.099 55.589 16.5 1 47.57 ? C THR A 10 1 -ATOM 1273 O O . THR E 3 10 . 6.521 56.7 16.842 1 50.08 ? O THR A 10 1 -ATOM 1274 C CB . THR E 3 10 . 6.426 54.574 18.733 1 44.04 ? CB THR A 10 1 -ATOM 1275 O OG1 . THR E 3 10 . 7.592 53.82 18.382 1 49.75 ? OG1 THR A 10 1 -ATOM 1276 C CG2 . THR E 3 10 . 5.694 53.904 19.886 1 50.67 ? CG2 THR A 10 1 -ATOM 1277 N N . LEU E 3 11 . 6.175 55.148 15.243 1 46.46 ? N LEU A 11 1 -ATOM 1278 C CA . LEU E 3 11 . 6.693 56.06 14.236 1 45.92 ? CA LEU A 11 1 -ATOM 1279 C C . LEU E 3 11 . 5.674 57.172 14.21 1 48.19 ? C LEU A 11 1 -ATOM 1280 O O . LEU E 3 11 . 6.018 58.334 14.108 1 53.63 ? O LEU A 11 1 -ATOM 1281 C CB . LEU E 3 11 . 6.748 55.448 12.848 1 40.81 ? CB LEU A 11 1 -ATOM 1282 C CG . LEU E 3 11 . 7.149 53.988 12.77 1 49.49 ? CG LEU A 11 1 -ATOM 1283 C CD1 . LEU E 3 11 . 5.858 53.214 12.714 1 48.62 ? CD1 LEU A 11 1 -ATOM 1284 C CD2 . LEU E 3 11 . 7.965 53.656 11.529 1 41.29 ? CD2 LEU A 11 1 -ATOM 1285 N N . GLU E 3 12 . 4.4 56.798 14.329 1 50.85 ? N GLU A 12 1 -ATOM 1286 C CA . GLU E 3 12 . 3.323 57.779 14.333 1 49.39 ? CA GLU A 12 1 -ATOM 1287 C C . GLU E 3 12 . 3.464 58.617 15.594 1 48.42 ? C GLU A 12 1 -ATOM 1288 O O . GLU E 3 12 . 3.225 59.827 15.559 1 49.37 ? O GLU A 12 1 -ATOM 1289 C CB . GLU E 3 12 . 1.938 57.119 14.341 1 45.68 ? CB GLU A 12 1 -ATOM 1290 C CG . GLU E 3 12 . 1.673 56.066 13.283 1 50.07 ? CG GLU A 12 1 -ATOM 1291 C CD . GLU E 3 12 . 2.09 54.67 13.73 1 53.41 ? CD GLU A 12 1 -ATOM 1292 O OE1 . GLU E 3 12 . 1.184 53.844 14.003 1 55 ? OE1 GLU A 12 1 -ATOM 1293 O OE2 . GLU E 3 12 . 3.31 54.397 13.809 1 44.63 ? OE2 GLU A 12 1 -ATOM 1294 N N . TRP E 3 13 . 3.839 57.968 16.704 1 45.38 ? N TRP A 13 1 -ATOM 1295 C CA . TRP E 3 13 . 4.074 58.684 17.957 1 43.86 ? CA TRP A 13 1 -ATOM 1296 C C . TRP E 3 13 . 5.007 59.848 17.597 1 45.13 ? C TRP A 13 1 -ATOM 1297 O O . TRP E 3 13 . 4.818 61.022 17.981 1 39.27 ? O TRP A 13 1 -ATOM 1298 C CB . TRP E 3 13 . 4.753 57.763 18.998 1 39.96 ? CB TRP A 13 1 -ATOM 1299 C CG . TRP E 3 13 . 5.078 58.541 20.211 1 36.61 ? CG TRP A 13 1 -ATOM 1300 C CD1 . TRP E 3 13 . 4.186 59.088 21.082 1 29.86 ? CD1 TRP A 13 1 -ATOM 1301 C CD2 . TRP E 3 13 . 6.38 58.964 20.64 1 32.23 ? CD2 TRP A 13 1 -ATOM 1302 N NE1 . TRP E 3 13 . 4.851 59.837 22.007 1 36.47 ? NE1 TRP A 13 1 -ATOM 1303 C CE2 . TRP E 3 13 . 6.199 59.778 21.758 1 33.72 ? CE2 TRP A 13 1 -ATOM 1304 C CE3 . TRP E 3 13 . 7.681 58.74 20.173 1 36.93 ? CE3 TRP A 13 1 -ATOM 1305 C CZ2 . TRP E 3 13 . 7.274 60.372 22.43 1 38.16 ? CZ2 TRP A 13 1 -ATOM 1306 C CZ3 . TRP E 3 13 . 8.75 59.329 20.837 1 34.21 ? CZ3 TRP A 13 1 -ATOM 1307 C CH2 . TRP E 3 13 . 8.538 60.134 21.948 1 37.51 ? CH2 TRP A 13 1 -ATOM 1308 N N . PHE E 3 14 . 6.008 59.469 16.811 1 45.34 ? N PHE A 14 1 -ATOM 1309 C CA . PHE E 3 14 . 7.007 60.371 16.256 1 46.89 ? CA PHE A 14 1 -ATOM 1310 C C . PHE E 3 14 . 6.349 61.489 15.381 1 43.87 ? C PHE A 14 1 -ATOM 1311 O O . PHE E 3 14 . 6.315 62.645 15.809 1 42.96 ? O PHE A 14 1 -ATOM 1312 C CB . PHE E 3 14 . 8.006 59.501 15.447 1 43.26 ? CB PHE A 14 1 -ATOM 1313 C CG . PHE E 3 14 . 8.946 60.27 14.577 1 37.28 ? CG PHE A 14 1 -ATOM 1314 C CD1 . PHE E 3 14 . 10.274 60.392 14.922 1 33.31 ? CD1 PHE A 14 1 -ATOM 1315 C CD2 . PHE E 3 14 . 8.497 60.868 13.413 1 34.21 ? CD2 PHE A 14 1 -ATOM 1316 C CE1 . PHE E 3 14 . 11.139 61.105 14.117 1 35.28 ? CE1 PHE A 14 1 -ATOM 1317 C CE2 . PHE E 3 14 . 9.363 61.582 12.61 1 36.36 ? CE2 PHE A 14 1 -ATOM 1318 C CZ . PHE E 3 14 . 10.688 61.701 12.967 1 28.58 ? CZ PHE A 14 1 -ATOM 1319 N N . LEU E 3 15 . 5.818 61.161 14.197 1 36.46 ? N LEU A 15 1 -ATOM 1320 C CA . LEU E 3 15 . 5.219 62.18 13.324 1 40.53 ? CA LEU A 15 1 -ATOM 1321 C C . LEU E 3 15 . 4.239 63.082 14.101 1 39.5 ? C LEU A 15 1 -ATOM 1322 O O . LEU E 3 15 . 4.209 64.303 13.927 1 35.01 ? O LEU A 15 1 -ATOM 1323 C CB . LEU E 3 15 . 4.453 61.535 12.142 1 38.33 ? CB LEU A 15 1 -ATOM 1324 C CG . LEU E 3 15 . 5.128 61.048 10.828 1 39.33 ? CG LEU A 15 1 -ATOM 1325 C CD1 . LEU E 3 15 . 6.073 59.848 11.004 1 34.09 ? CD1 LEU A 15 1 -ATOM 1326 C CD2 . LEU E 3 15 . 3.956 60.627 9.91 1 30 ? CD2 LEU A 15 1 -ATOM 1327 N N . SER E 3 16 . 3.448 62.505 14.987 1 39.44 ? N SER A 16 1 -ATOM 1328 C CA . SER E 3 16 . 2.518 63.328 15.727 1 41.31 ? CA SER A 16 1 -ATOM 1329 C C . SER E 3 16 . 3.234 64.413 16.568 1 39.87 ? C SER A 16 1 -ATOM 1330 O O . SER E 3 16 . 2.585 65.272 17.15 1 45.16 ? O SER A 16 1 -ATOM 1331 C CB . SER E 3 16 . 1.662 62.395 16.601 1 46.58 ? CB SER A 16 1 -ATOM 1332 O OG . SER E 3 16 . 2.422 61.481 17.397 1 49.64 ? OG SER A 16 1 -ATOM 1333 N N . HIS E 3 17 . 4.567 64.357 16.612 1 39.83 ? N HIS A 17 1 -ATOM 1334 C CA . HIS E 3 17 . 5.494 65.281 17.319 1 40.97 ? CA HIS A 17 1 -ATOM 1335 C C . HIS E 3 17 . 6.246 66.135 16.299 1 41.79 ? C HIS A 17 1 -ATOM 1336 O O . HIS E 3 17 . 6.967 67.087 16.627 1 35.53 ? O HIS A 17 1 -ATOM 1337 C CB . HIS E 3 17 . 6.595 64.549 18.101 1 50.69 ? CB HIS A 17 1 -ATOM 1338 C CG . HIS E 3 17 . 6.293 64.266 19.539 1 48.46 ? CG HIS A 17 1 -ATOM 1339 N ND1 . HIS E 3 17 . 6.935 64.927 20.565 1 44.43 ? ND1 HIS A 17 1 -ATOM 1340 C CD2 . HIS E 3 17 . 5.466 63.368 20.124 1 43.77 ? CD2 HIS A 17 1 -ATOM 1341 C CE1 . HIS E 3 17 . 6.52 64.445 21.724 1 51.84 ? CE1 HIS A 17 1 -ATOM 1342 N NE2 . HIS E 3 17 . 5.63 63.498 21.484 1 48.72 ? NE2 HIS A 17 1 -ATOM 1343 N N . CYS E 3 18 . 6.161 65.677 15.068 1 40.25 ? N CYS A 18 1 -ATOM 1344 C CA . CYS E 3 18 . 6.811 66.297 13.953 1 42.07 ? CA CYS A 18 1 -ATOM 1345 C C . CYS E 3 18 . 5.923 67.302 13.279 1 45.28 ? C CYS A 18 1 -ATOM 1346 O O . CYS E 3 18 . 4.756 67.489 13.635 1 47.68 ? O CYS A 18 1 -ATOM 1347 C CB . CYS E 3 18 . 7.204 65.25 12.944 1 35.09 ? CB CYS A 18 1 -ATOM 1348 S SG . CYS E 3 18 . 8.937 65.027 12.939 1 43.22 ? SG CYS A 18 1 -ATOM 1349 N N . HIS E 3 19 . 6.508 67.928 12.268 1 48.59 ? N HIS A 19 1 -ATOM 1350 C CA . HIS E 3 19 . 5.824 68.896 11.447 1 48.73 ? CA HIS A 19 1 -ATOM 1351 C C . HIS E 3 19 . 6.272 68.764 9.993 1 46.16 ? C HIS A 19 1 -ATOM 1352 O O . HIS E 3 19 . 7.434 69.021 9.612 1 34.73 ? O HIS A 19 1 -ATOM 1353 C CB . HIS E 3 19 . 6.095 70.312 11.978 1 50.3 ? CB HIS A 19 1 -ATOM 1354 C CG . HIS E 3 19 . 7.468 70.517 12.543 1 53.51 ? CG HIS A 19 1 -ATOM 1355 N ND1 . HIS E 3 19 . 8.552 70.886 11.773 1 55 ? ND1 HIS A 19 1 -ATOM 1356 C CD2 . HIS E 3 19 . 7.919 70.438 13.819 1 50.77 ? CD2 HIS A 19 1 -ATOM 1357 C CE1 . HIS E 3 19 . 9.611 71.032 12.556 1 52.85 ? CE1 HIS A 19 1 -ATOM 1358 N NE2 . HIS E 3 19 . 9.254 70.765 13.798 1 48.71 ? NE2 HIS A 19 1 -ATOM 1359 N N . ILE E 3 20 . 5.29 68.311 9.22 1 37.32 ? N ILE A 20 1 -ATOM 1360 C CA . ILE E 3 20 . 5.394 68.061 7.795 1 39.29 ? CA ILE A 20 1 -ATOM 1361 C C . ILE E 3 20 . 5.763 69.335 7.001 1 41.39 ? C ILE A 20 1 -ATOM 1362 O O . ILE E 3 20 . 5.781 70.441 7.549 1 37.73 ? O ILE A 20 1 -ATOM 1363 C CB . ILE E 3 20 . 4.026 67.474 7.3 1 34.82 ? CB ILE A 20 1 -ATOM 1364 C CG1 . ILE E 3 20 . 3.897 66.043 7.802 1 31.81 ? CG1 ILE A 20 1 -ATOM 1365 C CG2 . ILE E 3 20 . 3.923 67.486 5.809 1 30.47 ? CG2 ILE A 20 1 -ATOM 1366 C CD1 . ILE E 3 20 . 3.842 65.955 9.295 1 34.02 ? CD1 ILE A 20 1 -ATOM 1367 N N . HIS E 3 21 . 6.095 69.137 5.726 1 43.94 ? N HIS A 21 1 -ATOM 1368 C CA . HIS E 3 21 . 6.392 70.178 4.74 1 46.4 ? CA HIS A 21 1 -ATOM 1369 C C . HIS E 3 21 . 6.383 69.559 3.345 1 43.38 ? C HIS A 21 1 -ATOM 1370 O O . HIS E 3 21 . 6.986 68.518 3.103 1 48.89 ? O HIS A 21 1 -ATOM 1371 C CB . HIS E 3 21 . 7.764 70.824 4.993 1 41.6 ? CB HIS A 21 1 -ATOM 1372 C CG . HIS E 3 21 . 7.742 71.921 6.017 1 47.02 ? CG HIS A 21 1 -ATOM 1373 N ND1 . HIS E 3 21 . 6.572 72.492 6.475 1 55 ? ND1 HIS A 21 1 -ATOM 1374 C CD2 . HIS E 3 21 . 8.746 72.571 6.65 1 51.14 ? CD2 HIS A 21 1 -ATOM 1375 C CE1 . HIS E 3 21 . 6.854 73.448 7.342 1 53.19 ? CE1 HIS A 21 1 -ATOM 1376 N NE2 . HIS E 3 21 . 8.167 73.515 7.467 1 55 ? NE2 HIS A 21 1 -ATOM 1377 N N . LYS E 3 22 . 5.636 70.198 2.454 1 42.96 ? N LYS A 22 1 -ATOM 1378 C CA . LYS E 3 22 . 5.471 69.786 1.065 1 41.6 ? CA LYS A 22 1 -ATOM 1379 C C . LYS E 3 22 . 6.516 70.492 0.188 1 40.47 ? C LYS A 22 1 -ATOM 1380 O O . LYS E 3 22 . 6.629 71.729 0.228 1 39.52 ? O LYS A 22 1 -ATOM 1381 C CB . LYS E 3 22 . 4.061 70.155 0.609 1 45.46 ? CB LYS A 22 1 -ATOM 1382 C CG . LYS E 3 22 . 3.714 69.847 -0.848 1 46.46 ? CG LYS A 22 1 -ATOM 1383 C CD . LYS E 3 22 . 2.393 70.536 -1.238 1 45.44 ? CD LYS A 22 1 -ATOM 1384 C CE . LYS E 3 22 . 2.526 72.064 -1.438 1 44.76 ? CE LYS A 22 1 -ATOM 1385 N NZ . LYS E 3 22 . 1.169 72.693 -1.504 1 48.13 ? NZ LYS A 22 1 -ATOM 1386 N N . TYR E 3 23 . 7.281 69.698 -0.566 1 32.15 ? N TYR A 23 1 -ATOM 1387 C CA . TYR E 3 23 . 8.305 70.188 -1.475 1 26.93 ? CA TYR A 23 1 -ATOM 1388 C C . TYR E 3 23 . 7.986 69.795 -2.898 1 29.4 ? C TYR A 23 1 -ATOM 1389 O O . TYR E 3 23 . 7.261 68.849 -3.11 1 40.19 ? O TYR A 23 1 -ATOM 1390 C CB . TYR E 3 23 . 9.636 69.6 -1.147 1 35.11 ? CB TYR A 23 1 -ATOM 1391 C CG . TYR E 3 23 . 10.246 70.141 0.081 1 46.49 ? CG TYR A 23 1 -ATOM 1392 C CD1 . TYR E 3 23 . 10.549 69.297 1.133 1 48.26 ? CD1 TYR A 23 1 -ATOM 1393 C CD2 . TYR E 3 23 . 10.575 71.487 0.178 1 41.35 ? CD2 TYR A 23 1 -ATOM 1394 C CE1 . TYR E 3 23 . 11.173 69.768 2.253 1 47.73 ? CE1 TYR A 23 1 -ATOM 1395 C CE2 . TYR E 3 23 . 11.198 71.97 1.293 1 45.86 ? CE2 TYR A 23 1 -ATOM 1396 C CZ . TYR E 3 23 . 11.499 71.1 2.328 1 45.09 ? CZ TYR A 23 1 -ATOM 1397 O OH . TYR E 3 23 . 12.158 71.538 3.447 1 54.73 ? OH TYR A 23 1 -ATOM 1398 N N . PRO E 3 24 . 8.519 70.505 -3.892 1 28.77 ? N PRO A 24 1 -ATOM 1399 C CA . PRO E 3 24 . 8.359 70.105 -5.284 1 32.12 ? CA PRO A 24 1 -ATOM 1400 C C . PRO E 3 24 . 9.661 69.524 -5.85 1 37.05 ? C PRO A 24 1 -ATOM 1401 O O . PRO E 3 24 . 10.722 69.687 -5.251 1 35.29 ? O PRO A 24 1 -ATOM 1402 C CB . PRO E 3 24 . 7.907 71.396 -5.955 1 29.14 ? CB PRO A 24 1 -ATOM 1403 C CG . PRO E 3 24 . 7.927 72.443 -4.811 1 25.38 ? CG PRO A 24 1 -ATOM 1404 C CD . PRO E 3 24 . 8.971 71.906 -3.896 1 34.82 ? CD PRO A 24 1 -ATOM 1405 N N . SER E 3 25 . 9.58 68.888 -7.023 1 35.44 ? N SER A 25 1 -ATOM 1406 C CA . SER E 3 25 . 10.746 68.289 -7.69 1 36.35 ? CA SER A 25 1 -ATOM 1407 C C . SER E 3 25 . 11.931 69.226 -7.728 1 34.98 ? C SER A 25 1 -ATOM 1408 O O . SER E 3 25 . 11.78 70.419 -7.594 1 40.3 ? O SER A 25 1 -ATOM 1409 C CB . SER E 3 25 . 10.446 67.919 -9.149 1 36.05 ? CB SER A 25 1 -ATOM 1410 O OG . SER E 3 25 . 9.524 66.849 -9.298 1 38.54 ? OG SER A 25 1 -ATOM 1411 N N . LYS E 3 26 . 13.11 68.652 -7.898 1 38.91 ? N LYS A 26 1 -ATOM 1412 C CA . LYS E 3 26 . 14.361 69.379 -8.066 1 43.4 ? CA LYS A 26 1 -ATOM 1413 C C . LYS E 3 26 . 14.684 70.381 -6.96 1 42.65 ? C LYS A 26 1 -ATOM 1414 O O . LYS E 3 26 . 15.727 71.03 -7.032 1 44.39 ? O LYS A 26 1 -ATOM 1415 C CB . LYS E 3 26 . 14.326 70.102 -9.419 1 48.32 ? CB LYS A 26 1 -ATOM 1416 C CG . LYS E 3 26 . 13.773 69.185 -10.538 1 55 ? CG LYS A 26 1 -ATOM 1417 C CD . LYS E 3 26 . 13.659 69.842 -11.912 1 55 ? CD LYS A 26 1 -ATOM 1418 C CE . LYS E 3 26 . 12.983 68.907 -12.927 1 52.54 ? CE LYS A 26 1 -ATOM 1419 N NZ . LYS E 3 26 . 11.515 68.689 -12.681 1 50.27 ? NZ LYS A 26 1 -ATOM 1420 N N . SER E 3 27 . 13.842 70.518 -5.938 1 44.08 ? N SER A 27 1 -ATOM 1421 C CA . SER E 3 27 . 14.147 71.491 -4.89 1 45.04 ? CA SER A 27 1 -ATOM 1422 C C . SER E 3 27 . 15.132 70.934 -3.855 1 42.88 ? C SER A 27 1 -ATOM 1423 O O . SER E 3 27 . 14.901 69.883 -3.271 1 48.86 ? O SER A 27 1 -ATOM 1424 C CB . SER E 3 27 . 12.841 71.941 -4.193 1 48.09 ? CB SER A 27 1 -ATOM 1425 O OG . SER E 3 27 . 12.187 70.914 -3.474 1 50.03 ? OG SER A 27 1 -ATOM 1426 N N . THR E 3 28 . 16.234 71.652 -3.646 1 38.52 ? N THR A 28 1 -ATOM 1427 C CA . THR E 3 28 . 17.302 71.277 -2.717 1 33.94 ? CA THR A 28 1 -ATOM 1428 C C . THR E 3 28 . 16.951 71.447 -1.231 1 33.13 ? C THR A 28 1 -ATOM 1429 O O . THR E 3 28 . 17.212 72.513 -0.654 1 25.29 ? O THR A 28 1 -ATOM 1430 C CB . THR E 3 28 . 18.52 72.094 -3.033 1 24.84 ? CB THR A 28 1 -ATOM 1431 O OG1 . THR E 3 28 . 18.094 73.307 -3.655 1 25.04 ? OG1 THR A 28 1 -ATOM 1432 C CG2 . THR E 3 28 . 19.459 71.33 -3.988 1 36.26 ? CG2 THR A 28 1 -ATOM 1433 N N . LEU E 3 29 . 16.406 70.376 -0.637 1 19.29 ? N LEU A 29 1 -ATOM 1434 C CA . LEU E 3 29 . 15.966 70.32 0.747 1 13.31 ? CA LEU A 29 1 -ATOM 1435 C C . LEU E 3 29 . 17.042 70.645 1.806 1 14.48 ? C LEU A 29 1 -ATOM 1436 O O . LEU E 3 29 . 16.647 71.213 2.819 1 17.2 ? O LEU A 29 1 -ATOM 1437 C CB . LEU E 3 29 . 15.39 68.945 1.007 1 10.9 ? CB LEU A 29 1 -ATOM 1438 C CG . LEU E 3 29 . 14.463 68.503 -0.145 1 15.99 ? CG LEU A 29 1 -ATOM 1439 C CD1 . LEU E 3 29 . 13.659 67.337 0.302 1 16.93 ? CD1 LEU A 29 1 -ATOM 1440 C CD2 . LEU E 3 29 . 13.484 69.552 -0.501 1 21.7 ? CD2 LEU A 29 1 -ATOM 1441 N N . ILE E 3 30 . 18.35 70.363 1.58 1 6.4 ? N ILE A 30 1 -ATOM 1442 C CA . ILE E 3 30 . 19.481 70.651 2.529 1 6 ? CA ILE A 30 1 -ATOM 1443 C C . ILE E 3 30 . 20.685 71.177 1.727 1 7.34 ? C ILE A 30 1 -ATOM 1444 O O . ILE E 3 30 . 20.682 70.918 0.536 1 20.38 ? O ILE A 30 1 -ATOM 1445 C CB . ILE E 3 30 . 19.889 69.335 3.292 1 7.78 ? CB ILE A 30 1 -ATOM 1446 C CG1 . ILE E 3 30 . 18.765 68.949 4.218 1 6 ? CG1 ILE A 30 1 -ATOM 1447 C CG2 . ILE E 3 30 . 21.148 69.512 4.092 1 6 ? CG2 ILE A 30 1 -ATOM 1448 C CD1 . ILE E 3 30 . 18.97 67.594 4.806 1 18.06 ? CD1 ILE A 30 1 -ATOM 1449 N N . HIS E 3 31 . 21.712 71.863 2.261 1 6 ? N HIS A 31 1 -ATOM 1450 C CA . HIS E 3 31 . 22.828 72.336 1.367 1 6 ? CA HIS A 31 1 -ATOM 1451 C C . HIS E 3 31 . 24.172 72.194 2.035 1 7.49 ? C HIS A 31 1 -ATOM 1452 O O . HIS E 3 31 . 24.26 72.538 3.182 1 26.83 ? O HIS A 31 1 -ATOM 1453 C CB . HIS E 3 31 . 22.624 73.788 1.009 1 23.36 ? CB HIS A 31 1 -ATOM 1454 C CG . HIS E 3 31 . 21.309 74.073 0.361 1 28.04 ? CG HIS A 31 1 -ATOM 1455 N ND1 . HIS E 3 31 . 20.107 73.878 1.006 1 29.13 ? ND1 HIS A 31 1 -ATOM 1456 C CD2 . HIS E 3 31 . 21.007 74.543 -0.871 1 24.71 ? CD2 HIS A 31 1 -ATOM 1457 C CE1 . HIS E 3 31 . 19.116 74.215 0.199 1 32.34 ? CE1 HIS A 31 1 -ATOM 1458 N NE2 . HIS E 3 31 . 19.637 74.621 -0.947 1 33.23 ? NE2 HIS A 31 1 -ATOM 1459 N N . GLN E 3 32 . 25.231 71.811 1.329 1 17.63 ? N GLN A 32 1 -ATOM 1460 C CA . GLN E 3 32 . 26.532 71.427 1.956 1 25.34 ? CA GLN A 32 1 -ATOM 1461 C C . GLN E 3 32 . 27.324 72.622 2.574 1 33.05 ? C GLN A 32 1 -ATOM 1462 O O . GLN E 3 32 . 28.359 73.073 2.017 1 36.48 ? O GLN A 32 1 -ATOM 1463 C CB . GLN E 3 32 . 27.485 70.752 0.948 1 22.58 ? CB GLN A 32 1 -ATOM 1464 C CG . GLN E 3 32 . 28.828 70.391 1.59 1 19.58 ? CG GLN A 32 1 -ATOM 1465 C CD . GLN E 3 32 . 29.864 69.858 0.642 1 33.4 ? CD GLN A 32 1 -ATOM 1466 O OE1 . GLN E 3 32 . 29.568 69.203 -0.371 1 30.23 ? OE1 GLN A 32 1 -ATOM 1467 N NE2 . GLN E 3 32 . 31.118 70.132 0.973 1 34.65 ? NE2 GLN A 32 1 -ATOM 1468 N N . GLY E 3 33 . 26.924 73.052 3.775 1 43.34 ? N GLY A 33 1 -ATOM 1469 C CA . GLY E 3 33 . 27.665 74.087 4.511 1 40.74 ? CA GLY A 33 1 -ATOM 1470 C C . GLY E 3 33 . 26.95 74.577 5.773 1 36.94 ? C GLY A 33 1 -ATOM 1471 O O . GLY E 3 33 . 27.582 74.917 6.789 1 38.11 ? O GLY A 33 1 -ATOM 1472 N N . GLU E 3 34 . 25.622 74.583 5.685 1 30.01 ? N GLU A 34 1 -ATOM 1473 C CA . GLU E 3 34 . 24.758 75.094 6.719 1 30.03 ? CA GLU A 34 1 -ATOM 1474 C C . GLU E 3 34 . 24.793 74.245 7.942 1 35.11 ? C GLU A 34 1 -ATOM 1475 O O . GLU E 3 34 . 25.306 73.137 7.881 1 39.63 ? O GLU A 34 1 -ATOM 1476 C CB . GLU E 3 34 . 23.369 75.199 6.143 1 28.77 ? CB GLU A 34 1 -ATOM 1477 C CG . GLU E 3 34 . 23.443 76.116 4.917 1 36.46 ? CG GLU A 34 1 -ATOM 1478 C CD . GLU E 3 34 . 22.106 76.575 4.396 1 42.77 ? CD GLU A 34 1 -ATOM 1479 O OE1 . GLU E 3 34 . 22.088 77.175 3.295 1 37.62 ? OE1 GLU A 34 1 -ATOM 1480 O OE2 . GLU E 3 34 . 21.089 76.341 5.091 1 43.2 ? OE2 GLU A 34 1 -ATOM 1481 N N . LYS E 3 35 . 24.295 74.786 9.056 1 26.7 ? N LYS A 35 1 -ATOM 1482 C CA . LYS E 3 35 . 24.335 74.085 10.336 1 26.96 ? CA LYS A 35 1 -ATOM 1483 C C . LYS E 3 35 . 23.241 73.049 10.512 1 32.69 ? C LYS A 35 1 -ATOM 1484 O O . LYS E 3 35 . 22.077 73.331 10.24 1 37 ? O LYS A 35 1 -ATOM 1485 C CB . LYS E 3 35 . 24.244 75.089 11.485 1 42.35 ? CB LYS A 35 1 -ATOM 1486 C CG . LYS E 3 35 . 25.571 75.562 12.101 1 42.72 ? CG LYS A 35 1 -ATOM 1487 C CD . LYS E 3 35 . 26.516 76.176 11.096 1 46.67 ? CD LYS A 35 1 -ATOM 1488 C CE . LYS E 3 35 . 27.373 75.155 10.344 1 52.49 ? CE LYS A 35 1 -ATOM 1489 N NZ . LYS E 3 35 . 28.418 74.537 11.25 1 55 ? NZ LYS A 35 1 -ATOM 1490 N N . ALA E 3 36 . 23.628 71.851 10.964 1 33.84 ? N ALA A 36 1 -ATOM 1491 C CA . ALA E 3 36 . 22.678 70.757 11.186 1 27.47 ? CA ALA A 36 1 -ATOM 1492 C C . ALA E 3 36 . 22.014 70.968 12.555 1 24.01 ? C ALA A 36 1 -ATOM 1493 O O . ALA E 3 36 . 22.718 71.151 13.551 1 6.55 ? O ALA A 36 1 -ATOM 1494 C CB . ALA E 3 36 . 23.432 69.445 11.131 1 6 ? CB ALA A 36 1 -ATOM 1495 N N . GLU E 3 37 . 20.676 70.898 12.601 1 24.57 ? N GLU A 37 1 -ATOM 1496 C CA . GLU E 3 37 . 19.877 71.172 13.806 1 27.42 ? CA GLU A 37 1 -ATOM 1497 C C . GLU E 3 37 . 18.461 70.57 13.745 1 31.32 ? C GLU A 37 1 -ATOM 1498 O O . GLU E 3 37 . 17.75 70.582 14.751 1 37 ? O GLU A 37 1 -ATOM 1499 C CB . GLU E 3 37 . 19.762 72.674 13.982 1 32.59 ? CB GLU A 37 1 -ATOM 1500 C CG . GLU E 3 37 . 18.775 73.254 12.954 1 36.79 ? CG GLU A 37 1 -ATOM 1501 C CD . GLU E 3 37 . 18.909 72.639 11.55 1 34.96 ? CD GLU A 37 1 -ATOM 1502 O OE1 . GLU E 3 37 . 20.009 72.58 10.957 1 34.45 ? OE1 GLU A 37 1 -ATOM 1503 O OE2 . GLU E 3 37 . 17.891 72.185 11.022 1 34.02 ? OE2 GLU A 37 1 -ATOM 1504 N N . THR E 3 38 . 18.061 70.099 12.561 1 31.87 ? N THR A 38 1 -ATOM 1505 C CA . THR E 3 38 . 16.763 69.45 12.254 1 27.46 ? CA THR A 38 1 -ATOM 1506 C C . THR E 3 38 . 17.103 68.08 11.662 1 21.46 ? C THR A 38 1 -ATOM 1507 O O . THR E 3 38 . 18.174 67.9 11.109 1 20.91 ? O THR A 38 1 -ATOM 1508 C CB . THR E 3 38 . 15.916 70.235 11.17 1 33.31 ? CB THR A 38 1 -ATOM 1509 O OG1 . THR E 3 38 . 15.691 71.56 11.632 1 36.18 ? OG1 THR A 38 1 -ATOM 1510 C CG2 . THR E 3 38 . 14.556 69.61 10.933 1 39.15 ? CG2 THR A 38 1 -ATOM 1511 N N . LEU E 3 39 . 16.175 67.149 11.736 1 14.76 ? N LEU A 39 1 -ATOM 1512 C CA . LEU E 3 39 . 16.364 65.794 11.292 1 18.37 ? CA LEU A 39 1 -ATOM 1513 C C . LEU E 3 39 . 15.127 65.494 10.543 1 23.98 ? C LEU A 39 1 -ATOM 1514 O O . LEU E 3 39 . 14.094 65.347 11.161 1 30.72 ? O LEU A 39 1 -ATOM 1515 C CB . LEU E 3 39 . 16.504 64.852 12.5 1 24.33 ? CB LEU A 39 1 -ATOM 1516 C CG . LEU E 3 39 . 16.183 63.373 12.289 1 27.54 ? CG LEU A 39 1 -ATOM 1517 C CD1 . LEU E 3 39 . 17.306 62.675 11.568 1 32.63 ? CD1 LEU A 39 1 -ATOM 1518 C CD2 . LEU E 3 39 . 15.996 62.735 13.609 1 30.74 ? CD2 LEU A 39 1 -ATOM 1519 N N . TYR E 3 40 . 15.208 65.437 9.218 1 26.1 ? N TYR A 40 1 -ATOM 1520 C CA . TYR E 3 40 . 14.026 65.199 8.385 1 26.88 ? CA TYR A 40 1 -ATOM 1521 C C . TYR E 3 40 . 13.616 63.74 8.387 1 25.83 ? C TYR A 40 1 -ATOM 1522 O O . TYR E 3 40 . 14.32 62.856 8.866 1 35.53 ? O TYR A 40 1 -ATOM 1523 C CB . TYR E 3 40 . 14.307 65.668 6.927 1 25.89 ? CB TYR A 40 1 -ATOM 1524 C CG . TYR E 3 40 . 14.768 67.12 6.856 1 31.74 ? CG TYR A 40 1 -ATOM 1525 C CD1 . TYR E 3 40 . 16.084 67.444 7.176 1 33.19 ? CD1 TYR A 40 1 -ATOM 1526 C CD2 . TYR E 3 40 . 13.894 68.166 6.501 1 23.12 ? CD2 TYR A 40 1 -ATOM 1527 C CE1 . TYR E 3 40 . 16.543 68.754 7.157 1 40.13 ? CE1 TYR A 40 1 -ATOM 1528 C CE2 . TYR E 3 40 . 14.347 69.497 6.481 1 30.05 ? CE2 TYR A 40 1 -ATOM 1529 C CZ . TYR E 3 40 . 15.688 69.784 6.814 1 39.57 ? CZ TYR A 40 1 -ATOM 1530 O OH . TYR E 3 40 . 16.232 71.069 6.805 1 43.94 ? OH TYR A 40 1 -ATOM 1531 N N . TYR E 3 41 . 12.473 63.512 7.783 1 18.85 ? N TYR A 41 1 -ATOM 1532 C CA . TYR E 3 41 . 11.884 62.195 7.647 1 17.23 ? CA TYR A 41 1 -ATOM 1533 C C . TYR E 3 41 . 11 62.26 6.388 1 20.33 ? C TYR A 41 1 -ATOM 1534 O O . TYR E 3 41 . 10.108 63.108 6.332 1 29.73 ? O TYR A 41 1 -ATOM 1535 C CB . TYR E 3 41 . 11.053 61.899 8.885 1 22.54 ? CB TYR A 41 1 -ATOM 1536 C CG . TYR E 3 41 . 10.404 60.566 8.775 1 23.25 ? CG TYR A 41 1 -ATOM 1537 C CD1 . TYR E 3 41 . 9.041 60.461 8.544 1 30.43 ? CD1 TYR A 41 1 -ATOM 1538 C CD2 . TYR E 3 41 . 11.149 59.405 8.846 1 28.35 ? CD2 TYR A 41 1 -ATOM 1539 C CE1 . TYR E 3 41 . 8.448 59.246 8.383 1 28.16 ? CE1 TYR A 41 1 -ATOM 1540 C CE2 . TYR E 3 41 . 10.558 58.182 8.685 1 26.29 ? CE2 TYR A 41 1 -ATOM 1541 C CZ . TYR E 3 41 . 9.214 58.115 8.451 1 26.78 ? CZ TYR A 41 1 -ATOM 1542 O OH . TYR E 3 41 . 8.613 56.899 8.245 1 40.04 ? OH TYR A 41 1 -ATOM 1543 N N . ILE E 3 42 . 11.223 61.384 5.407 1 25.22 ? N ILE A 42 1 -ATOM 1544 C CA . ILE E 3 42 . 10.508 61.418 4.113 1 29.55 ? CA ILE A 42 1 -ATOM 1545 C C . ILE E 3 42 . 9.097 60.766 4.072 1 30.5 ? C ILE A 42 1 -ATOM 1546 O O . ILE E 3 42 . 8.937 59.57 3.787 1 33.7 ? O ILE A 42 1 -ATOM 1547 C CB . ILE E 3 42 . 11.399 60.756 3.008 1 25.15 ? CB ILE A 42 1 -ATOM 1548 C CG1 . ILE E 3 42 . 12.791 61.393 2.982 1 27.91 ? CG1 ILE A 42 1 -ATOM 1549 C CG2 . ILE E 3 42 . 10.815 61.014 1.643 1 33.96 ? CG2 ILE A 42 1 -ATOM 1550 C CD1 . ILE E 3 42 . 13.62 60.983 1.766 1 21.39 ? CD1 ILE A 42 1 -ATOM 1551 N N . VAL E 3 43 . 8.067 61.573 4.305 1 25.63 ? N VAL A 43 1 -ATOM 1552 C CA . VAL E 3 43 . 6.711 61.072 4.319 1 24.7 ? CA VAL A 43 1 -ATOM 1553 C C . VAL E 3 43 . 6.4 60.453 2.991 1 26.36 ? C VAL A 43 1 -ATOM 1554 O O . VAL E 3 43 . 6.246 59.249 2.908 1 30.84 ? O VAL A 43 1 -ATOM 1555 C CB . VAL E 3 43 . 5.727 62.168 4.555 1 25.96 ? CB VAL A 43 1 -ATOM 1556 C CG1 . VAL E 3 43 . 4.342 61.56 4.745 1 31.89 ? CG1 VAL A 43 1 -ATOM 1557 C CG2 . VAL E 3 43 . 6.151 62.972 5.763 1 37.01 ? CG2 VAL A 43 1 -ATOM 1558 N N . LYS E 3 44 . 6.334 61.276 1.948 1 30.92 ? N LYS A 44 1 -ATOM 1559 C CA . LYS E 3 44 . 6.056 60.831 0.574 1 27.91 ? CA LYS A 44 1 -ATOM 1560 C C . LYS E 3 44 . 7.105 61.394 -0.353 1 31.55 ? C LYS A 44 1 -ATOM 1561 O O . LYS E 3 44 . 7.423 62.577 -0.232 1 37.24 ? O LYS A 44 1 -ATOM 1562 C CB . LYS E 3 44 . 4.689 61.324 0.116 1 33.1 ? CB LYS A 44 1 -ATOM 1563 C CG . LYS E 3 44 . 4.479 61.47 -1.403 1 39.56 ? CG LYS A 44 1 -ATOM 1564 C CD . LYS E 3 44 . 3.076 62.049 -1.709 1 43.2 ? CD LYS A 44 1 -ATOM 1565 C CE . LYS E 3 44 . 2.888 63.449 -1.052 1 51.21 ? CE LYS A 44 1 -ATOM 1566 N NZ . LYS E 3 44 . 1.512 64.075 -1.019 1 40.62 ? NZ LYS A 44 1 -ATOM 1567 N N . GLY E 3 45 . 7.669 60.545 -1.225 1 33.47 ? N GLY A 45 1 -ATOM 1568 C CA . GLY E 3 45 . 8.641 60.985 -2.223 1 33.84 ? CA GLY A 45 1 -ATOM 1569 C C . GLY E 3 45 . 10.026 60.354 -2.156 1 29.69 ? C GLY A 45 1 -ATOM 1570 O O . GLY E 3 45 . 10.291 59.471 -1.346 1 32.11 ? O GLY A 45 1 -ATOM 1571 N N . SER E 3 46 . 10.899 60.826 -3.043 1 16.92 ? N SER A 46 1 -ATOM 1572 C CA . SER E 3 46 . 12.294 60.422 -3.136 1 17.1 ? CA SER A 46 1 -ATOM 1573 C C . SER E 3 46 . 13.149 61.689 -3.264 1 15.96 ? C SER A 46 1 -ATOM 1574 O O . SER E 3 46 . 12.738 62.687 -3.893 1 20.03 ? O SER A 46 1 -ATOM 1575 C CB . SER E 3 46 . 12.548 59.564 -4.373 1 21.99 ? CB SER A 46 1 -ATOM 1576 O OG . SER E 3 46 . 11.518 58.611 -4.519 1 36 ? OG SER A 46 1 -ATOM 1577 N N . VAL E 3 47 . 14.357 61.602 -2.742 1 7.03 ? N VAL A 47 1 -ATOM 1578 C CA . VAL E 3 47 . 15.281 62.7 -2.706 1 6 ? CA VAL A 47 1 -ATOM 1579 C C . VAL E 3 47 . 16.665 62.189 -3.107 1 7.63 ? C VAL A 47 1 -ATOM 1580 O O . VAL E 3 47 . 16.897 60.989 -3.058 1 23.7 ? O VAL A 47 1 -ATOM 1581 C CB . VAL E 3 47 . 15.257 63.259 -1.282 1 17.01 ? CB VAL A 47 1 -ATOM 1582 C CG1 . VAL E 3 47 . 16.31 62.573 -0.442 1 18.43 ? CG1 VAL A 47 1 -ATOM 1583 C CG2 . VAL E 3 47 . 15.422 64.734 -1.334 1 27.34 ? CG2 VAL A 47 1 -ATOM 1584 N N . ALA E 3 48 . 17.598 63.039 -3.509 1 6.41 ? N ALA A 48 1 -ATOM 1585 C CA . ALA E 3 48 . 18.915 62.499 -3.868 1 7.21 ? CA ALA A 48 1 -ATOM 1586 C C . ALA E 3 48 . 20.034 63.166 -3.057 1 7.1 ? C ALA A 48 1 -ATOM 1587 O O . ALA E 3 48 . 20.008 64.34 -2.819 1 15.44 ? O ALA A 48 1 -ATOM 1588 C CB . ALA E 3 48 . 19.162 62.704 -5.362 1 9.69 ? CB ALA A 48 1 -ATOM 1589 N N . VAL E 3 49 . 21.006 62.412 -2.592 1 7.28 ? N VAL A 49 1 -ATOM 1590 C CA . VAL E 3 49 . 22.082 62.992 -1.825 1 6 ? CA VAL A 49 1 -ATOM 1591 C C . VAL E 3 49 . 23.231 63.077 -2.761 1 6 ? C VAL A 49 1 -ATOM 1592 O O . VAL E 3 49 . 23.531 62.076 -3.408 1 15.08 ? O VAL A 49 1 -ATOM 1593 C CB . VAL E 3 49 . 22.529 62.1 -0.605 1 6 ? CB VAL A 49 1 -ATOM 1594 C CG1 . VAL E 3 49 . 23.614 62.837 0.275 1 6.77 ? CG1 VAL A 49 1 -ATOM 1595 C CG2 . VAL E 3 49 . 21.35 61.778 0.21 1 6 ? CG2 VAL A 49 1 -ATOM 1596 N N . LEU E 3 50 . 23.882 64.231 -2.83 1 8.56 ? N LEU A 50 1 -ATOM 1597 C CA . LEU E 3 50 . 25.047 64.424 -3.708 1 9.23 ? CA LEU A 50 1 -ATOM 1598 C C . LEU E 3 50 . 25.957 65.53 -3.153 1 9.79 ? C LEU A 50 1 -ATOM 1599 O O . LEU E 3 50 . 25.537 66.375 -2.357 1 15.61 ? O LEU A 50 1 -ATOM 1600 C CB . LEU E 3 50 . 24.551 64.786 -5.113 1 12.64 ? CB LEU A 50 1 -ATOM 1601 C CG . LEU E 3 50 . 23.551 65.951 -5.265 1 13.96 ? CG LEU A 50 1 -ATOM 1602 C CD1 . LEU E 3 50 . 24.253 67.224 -5.68 1 15.34 ? CD1 LEU A 50 1 -ATOM 1603 C CD2 . LEU E 3 50 . 22.586 65.625 -6.337 1 11.99 ? CD2 LEU A 50 1 -ATOM 1604 N N . ILE E 3 51 . 27.212 65.472 -3.537 1 6 ? N ILE A 51 1 -ATOM 1605 C CA . ILE E 3 51 . 28.216 66.427 -3.141 1 11.11 ? CA ILE A 51 1 -ATOM 1606 C C . ILE E 3 51 . 28.655 67.136 -4.42 1 15.65 ? C ILE A 51 1 -ATOM 1607 O O . ILE E 3 51 . 28.068 66.92 -5.475 1 15.27 ? O ILE A 51 1 -ATOM 1608 C CB . ILE E 3 51 . 29.476 65.728 -2.475 1 17.15 ? CB ILE A 51 1 -ATOM 1609 C CG1 . ILE E 3 51 . 29.656 64.289 -3.023 1 14.36 ? CG1 ILE A 51 1 -ATOM 1610 C CG2 . ILE E 3 51 . 29.323 65.764 -0.992 1 23.73 ? CG2 ILE A 51 1 -ATOM 1611 C CD1 . ILE E 3 51 . 30.974 63.599 -2.695 1 6 ? CD1 ILE A 51 1 -ATOM 1612 N N . LYS E 3 52 . 29.693 67.959 -4.369 1 22.44 ? N LYS A 52 1 -ATOM 1613 C CA . LYS E 3 52 . 30.108 68.628 -5.596 1 20.38 ? CA LYS A 52 1 -ATOM 1614 C C . LYS E 3 52 . 31.587 68.725 -5.688 1 22.43 ? C LYS A 52 1 -ATOM 1615 O O . LYS E 3 52 . 32.302 68.658 -4.689 1 21.19 ? O LYS A 52 1 -ATOM 1616 C CB . LYS E 3 52 . 29.522 70.046 -5.682 1 28.41 ? CB LYS A 52 1 -ATOM 1617 C CG . LYS E 3 52 . 28.058 70.08 -6.134 1 31.04 ? CG LYS A 52 1 -ATOM 1618 C CD . LYS E 3 52 . 27.343 71.403 -5.92 1 36.18 ? CD LYS A 52 1 -ATOM 1619 C CE . LYS E 3 52 . 27.987 72.582 -6.629 1 41.84 ? CE LYS A 52 1 -ATOM 1620 N NZ . LYS E 3 52 . 27.03 73.73 -6.488 1 41.22 ? NZ LYS A 52 1 -ATOM 1621 N N . ASP E 3 53 . 32.008 68.837 -6.937 1 34.02 ? N ASP A 53 1 -ATOM 1622 C CA . ASP E 3 53 . 33.384 69.003 -7.35 1 40.67 ? CA ASP A 53 1 -ATOM 1623 C C . ASP E 3 53 . 33.751 70.462 -7.129 1 41.31 ? C ASP A 53 1 -ATOM 1624 O O . ASP E 3 53 . 32.881 71.326 -7.115 1 43.84 ? O ASP A 53 1 -ATOM 1625 C CB . ASP E 3 53 . 33.477 68.581 -8.823 1 47.56 ? CB ASP A 53 1 -ATOM 1626 C CG . ASP E 3 53 . 34.229 69.556 -9.693 1 51.22 ? CG ASP A 53 1 -ATOM 1627 O OD1 . ASP E 3 53 . 35.353 69.966 -9.336 1 55 ? OD1 ASP A 53 1 -ATOM 1628 O OD2 . ASP E 3 53 . 33.685 69.9 -10.761 1 52.6 ? OD2 ASP A 53 1 -ATOM 1629 N N . GLU E 3 54 . 35.036 70.744 -7.006 1 39.04 ? N GLU A 54 1 -ATOM 1630 C CA . GLU E 3 54 . 35.502 72.093 -6.731 1 43.86 ? CA GLU A 54 1 -ATOM 1631 C C . GLU E 3 54 . 34.884 73.156 -7.653 1 46.87 ? C GLU A 54 1 -ATOM 1632 O O . GLU E 3 54 . 34.958 74.366 -7.361 1 47.75 ? O GLU A 54 1 -ATOM 1633 C CB . GLU E 3 54 . 37.016 72.107 -6.852 1 45.27 ? CB GLU A 54 1 -ATOM 1634 C CG . GLU E 3 54 . 37.712 71.097 -5.923 1 50.95 ? CG GLU A 54 1 -ATOM 1635 C CD . GLU E 3 54 . 37.478 69.623 -6.307 1 51.54 ? CD GLU A 54 1 -ATOM 1636 O OE1 . GLU E 3 54 . 37.701 69.268 -7.49 1 48.23 ? OE1 GLU A 54 1 -ATOM 1637 O OE2 . GLU E 3 54 . 37.074 68.825 -5.427 1 54.62 ? OE2 GLU A 54 1 -ATOM 1638 N N . GLU E 3 55 . 34.269 72.694 -8.747 1 45.46 ? N GLU A 55 1 -ATOM 1639 C CA . GLU E 3 55 . 33.633 73.572 -9.719 1 42.78 ? CA GLU A 55 1 -ATOM 1640 C C . GLU E 3 55 . 32.198 73.153 -10.124 1 37.52 ? C GLU A 55 1 -ATOM 1641 O O . GLU E 3 55 . 31.67 73.617 -11.145 1 38.04 ? O GLU A 55 1 -ATOM 1642 C CB . GLU E 3 55 . 34.511 73.651 -10.982 1 45.25 ? CB GLU A 55 1 -ATOM 1643 C CG . GLU E 3 55 . 35.959 74.135 -10.752 1 53.87 ? CG GLU A 55 1 -ATOM 1644 C CD . GLU E 3 55 . 36.046 75.472 -10.019 1 49.85 ? CD GLU A 55 1 -ATOM 1645 O OE1 . GLU E 3 55 . 35.313 76.426 -10.387 1 48.93 ? OE1 GLU A 55 1 -ATOM 1646 O OE2 . GLU E 3 55 . 36.857 75.546 -9.068 1 51.97 ? OE2 GLU A 55 1 -ATOM 1647 N N . GLY E 3 56 . 31.555 72.273 -9.375 1 24.83 ? N GLY A 56 1 -ATOM 1648 C CA . GLY E 3 56 . 30.199 71.989 -9.762 1 24.43 ? CA GLY A 56 1 -ATOM 1649 C C . GLY E 3 56 . 29.922 70.586 -10.196 1 21.38 ? C GLY A 56 1 -ATOM 1650 O O . GLY E 3 56 . 28.78 70.191 -10.114 1 35.28 ? O GLY A 56 1 -ATOM 1651 N N . LYS E 3 57 . 30.884 69.822 -10.679 1 17.1 ? N LYS A 57 1 -ATOM 1652 C CA . LYS E 3 57 . 30.536 68.465 -11.059 1 12.63 ? CA LYS A 57 1 -ATOM 1653 C C . LYS E 3 57 . 29.951 67.777 -9.837 1 13.37 ? C LYS A 57 1 -ATOM 1654 O O . LYS E 3 57 . 30.558 67.721 -8.781 1 18.45 ? O LYS A 57 1 -ATOM 1655 C CB . LYS E 3 57 . 31.775 67.708 -11.537 1 25.65 ? CB LYS A 57 1 -ATOM 1656 C CG . LYS E 3 57 . 31.671 66.192 -11.77 1 37.17 ? CG LYS A 57 1 -ATOM 1657 C CD . LYS E 3 57 . 30.701 65.785 -12.899 1 49.62 ? CD LYS A 57 1 -ATOM 1658 C CE . LYS E 3 57 . 30.905 64.308 -13.371 1 47.06 ? CE LYS A 57 1 -ATOM 1659 N NZ . LYS E 3 57 . 30.004 63.9 -14.522 1 39.56 ? NZ LYS A 57 1 -ATOM 1660 N N . GLU E 3 58 . 28.727 67.311 -10 1 10.43 ? N GLU A 58 1 -ATOM 1661 C CA . GLU E 3 58 . 28.072 66.576 -8.966 1 11.37 ? CA GLU A 58 1 -ATOM 1662 C C . GLU E 3 58 . 28.541 65.125 -9.032 1 14.73 ? C GLU A 58 1 -ATOM 1663 O O . GLU E 3 58 . 29.151 64.735 -10.011 1 24.78 ? O GLU A 58 1 -ATOM 1664 C CB . GLU E 3 58 . 26.559 66.683 -9.166 1 25.3 ? CB GLU A 58 1 -ATOM 1665 C CG . GLU E 3 58 . 26.072 68.127 -9.195 1 29.25 ? CG GLU A 58 1 -ATOM 1666 C CD . GLU E 3 58 . 24.557 68.268 -9.137 1 36.69 ? CD GLU A 58 1 -ATOM 1667 O OE1 . GLU E 3 58 . 24.073 69.418 -9.133 1 36.06 ? OE1 GLU A 58 1 -ATOM 1668 O OE2 . GLU E 3 58 . 23.838 67.245 -9.077 1 40.91 ? OE2 GLU A 58 1 -ATOM 1669 N N . MET E 3 59 . 28.25 64.365 -7.981 1 9.85 ? N MET A 59 1 -ATOM 1670 C CA . MET E 3 59 . 28.563 62.946 -7.777 1 6 ? CA MET A 59 1 -ATOM 1671 C C . MET E 3 59 . 27.441 62.518 -6.871 1 7.8 ? C MET A 59 1 -ATOM 1672 O O . MET E 3 59 . 27.509 62.757 -5.683 1 27.55 ? O MET A 59 1 -ATOM 1673 C CB . MET E 3 59 . 29.885 62.741 -7.026 1 17.09 ? CB MET A 59 1 -ATOM 1674 C CG . MET E 3 59 . 30.725 61.395 -7.18 1 24.34 ? CG MET A 59 1 -ATOM 1675 S SD . MET E 3 59 . 29.955 59.781 -6.747 1 32.69 ? SD MET A 59 1 -ATOM 1676 C CE . MET E 3 59 . 30.903 58.743 -7.804 1 24.75 ? CE MET A 59 1 -ATOM 1677 N N . ILE E 3 60 . 26.345 61.996 -7.405 1 11.68 ? N ILE A 60 1 -ATOM 1678 C CA . ILE E 3 60 . 25.287 61.537 -6.52 1 8.06 ? CA ILE A 60 1 -ATOM 1679 C C . ILE E 3 60 . 25.776 60.408 -5.584 1 12.64 ? C ILE A 60 1 -ATOM 1680 O O . ILE E 3 60 . 26.314 59.405 -6.055 1 10.42 ? O ILE A 60 1 -ATOM 1681 C CB . ILE E 3 60 . 24.162 60.992 -7.29 1 7.69 ? CB ILE A 60 1 -ATOM 1682 C CG1 . ILE E 3 60 . 23.555 62.08 -8.158 1 6 ? CG1 ILE A 60 1 -ATOM 1683 C CG2 . ILE E 3 60 . 23.2 60.391 -6.325 1 8.49 ? CG2 ILE A 60 1 -ATOM 1684 C CD1 . ILE E 3 60 . 22.294 61.637 -8.806 1 6 ? CD1 ILE A 60 1 -ATOM 1685 N N . LEU E 3 61 . 25.606 60.576 -4.274 1 17.04 ? N LEU A 61 1 -ATOM 1686 C CA . LEU E 3 61 . 26.032 59.558 -3.287 1 14.85 ? CA LEU A 61 1 -ATOM 1687 C C . LEU E 3 61 . 25.047 58.442 -3.116 1 15.71 ? C LEU A 61 1 -ATOM 1688 O O . LEU E 3 61 . 25.488 57.314 -2.943 1 13.65 ? O LEU A 61 1 -ATOM 1689 C CB . LEU E 3 61 . 26.231 60.106 -1.869 1 7.01 ? CB LEU A 61 1 -ATOM 1690 C CG . LEU E 3 61 . 27.579 60.698 -1.564 1 9.87 ? CG LEU A 61 1 -ATOM 1691 C CD1 . LEU E 3 61 . 27.713 60.911 -0.077 1 6.62 ? CD1 LEU A 61 1 -ATOM 1692 C CD2 . LEU E 3 61 . 28.637 59.762 -2.054 1 11.64 ? CD2 LEU A 61 1 -ATOM 1693 N N . SER E 3 62 . 23.748 58.781 -3.081 1 13.52 ? N SER A 62 1 -ATOM 1694 C CA . SER E 3 62 . 22.621 57.837 -2.913 1 12.7 ? CA SER A 62 1 -ATOM 1695 C C . SER E 3 62 . 21.274 58.536 -3.104 1 14.27 ? C SER A 62 1 -ATOM 1696 O O . SER E 3 62 . 21.203 59.749 -3.002 1 21.89 ? O SER A 62 1 -ATOM 1697 C CB . SER E 3 62 . 22.678 57.216 -1.495 1 18.25 ? CB SER A 62 1 -ATOM 1698 O OG . SER E 3 62 . 21.555 56.392 -1.167 1 22.32 ? OG SER A 62 1 -ATOM 1699 N N . TYR E 3 63 . 20.211 57.803 -3.427 1 16.66 ? N TYR A 63 1 -ATOM 1700 C CA . TYR E 3 63 . 18.88 58.425 -3.463 1 17.17 ? CA TYR A 63 1 -ATOM 1701 C C . TYR E 3 63 . 18.262 57.974 -2.158 1 22.08 ? C TYR A 63 1 -ATOM 1702 O O . TYR E 3 63 . 18.661 56.939 -1.62 1 26.67 ? O TYR A 63 1 -ATOM 1703 C CB . TYR E 3 63 . 17.972 57.917 -4.611 1 25.46 ? CB TYR A 63 1 -ATOM 1704 C CG . TYR E 3 63 . 18.406 58.316 -6.006 1 26.6 ? CG TYR A 63 1 -ATOM 1705 C CD1 . TYR E 3 63 . 18.601 59.643 -6.354 1 27.88 ? CD1 TYR A 63 1 -ATOM 1706 C CD2 . TYR E 3 63 . 18.65 57.354 -6.977 1 29.79 ? CD2 TYR A 63 1 -ATOM 1707 C CE1 . TYR E 3 63 . 19.04 59.994 -7.643 1 30.6 ? CE1 TYR A 63 1 -ATOM 1708 C CE2 . TYR E 3 63 . 19.084 57.694 -8.262 1 30.5 ? CE2 TYR A 63 1 -ATOM 1709 C CZ . TYR E 3 63 . 19.28 59.008 -8.589 1 31.72 ? CZ TYR A 63 1 -ATOM 1710 O OH . TYR E 3 63 . 19.732 59.312 -9.854 1 23.33 ? OH TYR A 63 1 -ATOM 1711 N N . LEU E 3 64 . 17.295 58.717 -1.641 1 27.35 ? N LEU A 64 1 -ATOM 1712 C CA . LEU E 3 64 . 16.679 58.38 -0.365 1 26.74 ? CA LEU A 64 1 -ATOM 1713 C C . LEU E 3 64 . 15.184 58.367 -0.605 1 30.54 ? C LEU A 64 1 -ATOM 1714 O O . LEU E 3 64 . 14.69 59.34 -1.158 1 25.17 ? O LEU A 64 1 -ATOM 1715 C CB . LEU E 3 64 . 17.076 59.438 0.652 1 6.73 ? CB LEU A 64 1 -ATOM 1716 C CG . LEU E 3 64 . 17.895 59.013 1.845 1 6 ? CG LEU A 64 1 -ATOM 1717 C CD1 . LEU E 3 64 . 19.095 58.273 1.438 1 8.98 ? CD1 LEU A 64 1 -ATOM 1718 C CD2 . LEU E 3 64 . 18.322 60.189 2.555 1 6 ? CD2 LEU A 64 1 -ATOM 1719 N N . ASN E 3 65 . 14.477 57.292 -0.226 1 35.25 ? N ASN A 65 1 -ATOM 1720 C CA . ASN E 3 65 . 13.029 57.16 -0.498 1 30.63 ? CA ASN A 65 1 -ATOM 1721 C C . ASN E 3 65 . 12.106 57.385 0.73 1 28.38 ? C ASN A 65 1 -ATOM 1722 O O . ASN E 3 65 . 12.578 57.708 1.833 1 23.29 ? O ASN A 65 1 -ATOM 1723 C CB . ASN E 3 65 . 12.768 55.764 -1.093 1 29.39 ? CB ASN A 65 1 -ATOM 1724 C CG . ASN E 3 65 . 13.589 55.492 -2.353 1 22.64 ? CG ASN A 65 1 -ATOM 1725 O OD1 . ASN E 3 65 . 14.793 55.23 -2.286 1 22.55 ? OD1 ASN A 65 1 -ATOM 1726 N ND2 . ASN E 3 65 . 12.927 55.54 -3.508 1 21.44 ? ND2 ASN A 65 1 -ATOM 1727 N N . GLN E 3 66 . 10.794 57.196 0.562 1 22.94 ? N GLN A 66 1 -ATOM 1728 C CA . GLN E 3 66 . 9.914 57.467 1.68 1 22.12 ? CA GLN A 66 1 -ATOM 1729 C C . GLN E 3 66 . 10.164 56.488 2.766 1 27.93 ? C GLN A 66 1 -ATOM 1730 O O . GLN E 3 66 . 10.397 55.305 2.536 1 35.38 ? O GLN A 66 1 -ATOM 1731 C CB . GLN E 3 66 . 8.425 57.405 1.288 1 24.81 ? CB GLN A 66 1 -ATOM 1732 C CG . GLN E 3 66 . 7.767 56.099 0.817 1 23.84 ? CG GLN A 66 1 -ATOM 1733 C CD . GLN E 3 66 . 6.221 56.271 0.708 1 34.69 ? CD GLN A 66 1 -ATOM 1734 O OE1 . GLN E 3 66 . 5.548 55.659 -0.126 1 39.05 ? OE1 GLN A 66 1 -ATOM 1735 N NE2 . GLN E 3 66 . 5.667 57.121 1.563 1 31 ? NE2 GLN A 66 1 -ATOM 1736 N N . GLY E 3 67 . 10.133 56.997 3.977 1 28.63 ? N GLY A 67 1 -ATOM 1737 C CA . GLY E 3 67 . 10.386 56.138 5.09 1 26.95 ? CA GLY A 67 1 -ATOM 1738 C C . GLY E 3 67 . 11.853 56.192 5.355 1 27.89 ? C GLY A 67 1 -ATOM 1739 O O . GLY E 3 67 . 12.395 55.242 5.878 1 37.41 ? O GLY A 67 1 -ATOM 1740 N N . ASP E 3 68 . 12.517 57.28 4.983 1 24.35 ? N ASP A 68 1 -ATOM 1741 C CA . ASP E 3 68 . 13.945 57.4 5.301 1 26.61 ? CA ASP A 68 1 -ATOM 1742 C C . ASP E 3 68 . 14.165 58.634 6.184 1 23.54 ? C ASP A 68 1 -ATOM 1743 O O . ASP E 3 68 . 13.338 59.517 6.172 1 26.06 ? O ASP A 68 1 -ATOM 1744 C CB . ASP E 3 68 . 14.763 57.521 4.001 1 22.95 ? CB ASP A 68 1 -ATOM 1745 C CG . ASP E 3 68 . 15.496 56.224 3.626 1 24.75 ? CG ASP A 68 1 -ATOM 1746 O OD1 . ASP E 3 68 . 15.106 55.504 2.676 1 13.07 ? OD1 ASP A 68 1 -ATOM 1747 O OD2 . ASP E 3 68 . 16.5 55.935 4.305 1 30.67 ? OD2 ASP A 68 1 -ATOM 1748 N N . PHE E 3 69 . 15.213 58.681 6.998 1 20.68 ? N PHE A 69 1 -ATOM 1749 C CA . PHE E 3 69 . 15.493 59.879 7.797 1 19.92 ? CA PHE A 69 1 -ATOM 1750 C C . PHE E 3 69 . 16.525 60.739 7.053 1 20.69 ? C PHE A 69 1 -ATOM 1751 O O . PHE E 3 69 . 17.391 60.174 6.396 1 26.1 ? O PHE A 69 1 -ATOM 1752 C CB . PHE E 3 69 . 16.095 59.522 9.149 1 28.8 ? CB PHE A 69 1 -ATOM 1753 C CG . PHE E 3 69 . 15.138 58.927 10.137 1 34.08 ? CG PHE A 69 1 -ATOM 1754 C CD1 . PHE E 3 69 . 14.123 59.702 10.695 1 28.93 ? CD1 PHE A 69 1 -ATOM 1755 C CD2 . PHE E 3 69 . 15.277 57.587 10.539 1 38.04 ? CD2 PHE A 69 1 -ATOM 1756 C CE1 . PHE E 3 69 . 13.255 59.15 11.641 1 32.17 ? CE1 PHE A 69 1 -ATOM 1757 C CE2 . PHE E 3 69 . 14.425 57.023 11.476 1 30.56 ? CE2 PHE A 69 1 -ATOM 1758 C CZ . PHE E 3 69 . 13.403 57.81 12.031 1 32.26 ? CZ PHE A 69 1 -ATOM 1759 N N . ILE E 3 70 . 16.49 62.072 7.157 1 18.58 ? N ILE A 70 1 -ATOM 1760 C CA . ILE E 3 70 . 17.498 62.892 6.454 1 26.28 ? CA ILE A 70 1 -ATOM 1761 C C . ILE E 3 70 . 18.234 63.861 7.38 1 30.93 ? C ILE A 70 1 -ATOM 1762 O O . ILE E 3 70 . 17.638 64.501 8.238 1 43.35 ? O ILE A 70 1 -ATOM 1763 C CB . ILE E 3 70 . 16.92 63.804 5.355 1 34.75 ? CB ILE A 70 1 -ATOM 1764 C CG1 . ILE E 3 70 . 16.022 63.039 4.387 1 38.94 ? CG1 ILE A 70 1 -ATOM 1765 C CG2 . ILE E 3 70 . 18.074 64.35 4.546 1 37.06 ? CG2 ILE A 70 1 -ATOM 1766 C CD1 . ILE E 3 70 . 15.3 63.97 3.381 1 44.51 ? CD1 ILE A 70 1 -ATOM 1767 N N . GLY E 3 71 . 19.535 64.015 7.178 1 33.69 ? N GLY A 71 1 -ATOM 1768 C CA . GLY E 3 71 . 20.282 64.937 8.009 1 25.56 ? CA GLY A 71 1 -ATOM 1769 C C . GLY E 3 71 . 20.388 64.425 9.431 1 24.7 ? C GLY A 71 1 -ATOM 1770 O O . GLY E 3 71 . 20.198 65.192 10.371 1 29.91 ? O GLY A 71 1 -ATOM 1771 N N . GLU E 3 72 . 20.71 63.141 9.601 1 13.93 ? N GLU A 72 1 -ATOM 1772 C CA . GLU E 3 72 . 20.832 62.623 10.936 1 12.48 ? CA GLU A 72 1 -ATOM 1773 C C . GLU E 3 72 . 22.274 62.67 11.391 1 11.3 ? C GLU A 72 1 -ATOM 1774 O O . GLU E 3 72 . 22.589 62.2 12.474 1 17.78 ? O GLU A 72 1 -ATOM 1775 C CB . GLU E 3 72 . 20.317 61.171 11.013 1 13.01 ? CB GLU A 72 1 -ATOM 1776 C CG . GLU E 3 72 . 21.236 60.065 10.399 1 18.25 ? CG GLU A 72 1 -ATOM 1777 C CD . GLU E 3 72 . 21.276 60.043 8.866 1 16.76 ? CD GLU A 72 1 -ATOM 1778 O OE1 . GLU E 3 72 . 20.306 60.513 8.239 1 11.12 ? OE1 GLU A 72 1 -ATOM 1779 O OE2 . GLU E 3 72 . 22.277 59.551 8.294 1 15.76 ? OE2 GLU A 72 1 -ATOM 1780 N N . LEU E 3 73 . 23.179 63.23 10.607 1 9.81 ? N LEU A 73 1 -ATOM 1781 C CA . LEU E 3 73 . 24.587 63.222 11.057 1 13.82 ? CA LEU A 73 1 -ATOM 1782 C C . LEU E 3 73 . 24.964 64.32 12.05 1 17.22 ? C LEU A 73 1 -ATOM 1783 O O . LEU E 3 73 . 26.076 64.349 12.539 1 14.89 ? O LEU A 73 1 -ATOM 1784 C CB . LEU E 3 73 . 25.527 63.298 9.836 1 14.15 ? CB LEU A 73 1 -ATOM 1785 C CG . LEU E 3 73 . 25.782 61.937 9.125 1 14.99 ? CG LEU A 73 1 -ATOM 1786 C CD1 . LEU E 3 73 . 24.86 60.857 9.671 1 21.16 ? CD1 LEU A 73 1 -ATOM 1787 C CD2 . LEU E 3 73 . 25.495 62.078 7.629 1 8.97 ? CD2 LEU A 73 1 -ATOM 1788 N N . GLY E 3 74 . 24.038 65.217 12.375 1 30.27 ? N GLY A 74 1 -ATOM 1789 C CA . GLY E 3 74 . 24.353 66.27 13.328 1 33.67 ? CA GLY A 74 1 -ATOM 1790 C C . GLY E 3 74 . 23.872 65.896 14.713 1 34.03 ? C GLY A 74 1 -ATOM 1791 O O . GLY E 3 74 . 24.427 66.303 15.737 1 39.53 ? O GLY A 74 1 -ATOM 1792 N N . LEU E 3 75 . 22.829 65.08 14.708 1 26.27 ? N LEU A 75 1 -ATOM 1793 C CA . LEU E 3 75 . 22.162 64.571 15.881 1 23.17 ? CA LEU A 75 1 -ATOM 1794 C C . LEU E 3 75 . 23.062 64.115 17.022 1 25.64 ? C LEU A 75 1 -ATOM 1795 O O . LEU E 3 75 . 22.563 63.981 18.131 1 34.35 ? O LEU A 75 1 -ATOM 1796 C CB . LEU E 3 75 . 21.299 63.421 15.455 1 29.9 ? CB LEU A 75 1 -ATOM 1797 C CG . LEU E 3 75 . 20.41 62.799 16.499 1 40.14 ? CG LEU A 75 1 -ATOM 1798 C CD1 . LEU E 3 75 . 19.48 63.847 17.131 1 35.25 ? CD1 LEU A 75 1 -ATOM 1799 C CD2 . LEU E 3 75 . 19.632 61.691 15.802 1 46.55 ? CD2 LEU A 75 1 -ATOM 1800 N N . PHE E 3 76 . 24.351 63.863 16.776 1 29.39 ? N PHE A 76 1 -ATOM 1801 C CA . PHE E 3 76 . 25.232 63.328 17.823 1 30.43 ? CA PHE A 76 1 -ATOM 1802 C C . PHE E 3 76 . 26.43 64.224 18.119 1 33.08 ? C PHE A 76 1 -ATOM 1803 O O . PHE E 3 76 . 27.47 63.721 18.556 1 39.56 ? O PHE A 76 1 -ATOM 1804 C CB . PHE E 3 76 . 25.825 61.946 17.45 1 36.92 ? CB PHE A 76 1 -ATOM 1805 C CG . PHE E 3 76 . 24.898 61.037 16.711 1 38.34 ? CG PHE A 76 1 -ATOM 1806 C CD1 . PHE E 3 76 . 24.024 60.212 17.377 1 39.9 ? CD1 PHE A 76 1 -ATOM 1807 C CD2 . PHE E 3 76 . 24.899 61.026 15.33 1 38.51 ? CD2 PHE A 76 1 -ATOM 1808 C CE1 . PHE E 3 76 . 23.163 59.392 16.668 1 39.12 ? CE1 PHE A 76 1 -ATOM 1809 C CE2 . PHE E 3 76 . 24.045 60.211 14.625 1 34.14 ? CE2 PHE A 76 1 -ATOM 1810 C CZ . PHE E 3 76 . 23.179 59.4 15.298 1 25.35 ? CZ PHE A 76 1 -ATOM 1811 N N . GLU E 3 77 . 26.336 65.522 17.878 1 31.61 ? N GLU A 77 1 -ATOM 1812 C CA . GLU E 3 77 . 27.451 66.404 18.189 1 33.42 ? CA GLU A 77 1 -ATOM 1813 C C . GLU E 3 77 . 26.985 67.802 17.924 1 35.76 ? C GLU A 77 1 -ATOM 1814 O O . GLU E 3 77 . 25.972 67.976 17.278 1 46.52 ? O GLU A 77 1 -ATOM 1815 C CB . GLU E 3 77 . 28.675 66.042 17.322 1 34.97 ? CB GLU A 77 1 -ATOM 1816 C CG . GLU E 3 77 . 29.904 66.925 17.598 1 51.06 ? CG GLU A 77 1 -ATOM 1817 C CD . GLU E 3 77 . 31.263 66.279 17.279 1 55 ? CD GLU A 77 1 -ATOM 1818 O OE1 . GLU E 3 77 . 31.515 65.16 17.79 1 55 ? OE1 GLU A 77 1 -ATOM 1819 O OE2 . GLU E 3 77 . 32.085 66.893 16.549 1 54.67 ? OE2 GLU A 77 1 -ATOM 1820 N N . GLU E 3 78 . 27.679 68.809 18.42 1 41.85 ? N GLU A 78 1 -ATOM 1821 C CA . GLU E 3 78 . 27.189 70.174 18.243 1 44.81 ? CA GLU A 78 1 -ATOM 1822 C C . GLU E 3 78 . 27.858 70.93 17.107 1 45.88 ? C GLU A 78 1 -ATOM 1823 O O . GLU E 3 78 . 29.008 70.645 16.77 1 47.34 ? O GLU A 78 1 -ATOM 1824 C CB . GLU E 3 78 . 27.391 70.971 19.536 1 45.21 ? CB GLU A 78 1 -ATOM 1825 C CG . GLU E 3 78 . 26.689 70.419 20.792 1 45.88 ? CG GLU A 78 1 -ATOM 1826 C CD . GLU E 3 78 . 25.188 70.692 20.848 1 43.78 ? CD GLU A 78 1 -ATOM 1827 O OE1 . GLU E 3 78 . 24.748 71.674 20.201 1 43.55 ? OE1 GLU A 78 1 -ATOM 1828 O OE2 . GLU E 3 78 . 24.475 69.923 21.551 1 37.15 ? OE2 GLU A 78 1 -ATOM 1829 N N . GLY E 3 79 . 27.102 71.872 16.529 1 46.22 ? N GLY A 79 1 -ATOM 1830 C CA . GLY E 3 79 . 27.586 72.776 15.489 1 48.69 ? CA GLY A 79 1 -ATOM 1831 C C . GLY E 3 79 . 28.298 72.166 14.276 1 42.68 ? C GLY A 79 1 -ATOM 1832 O O . GLY E 3 79 . 29.325 72.698 13.778 1 30.47 ? O GLY A 79 1 -ATOM 1833 N N . GLN E 3 80 . 27.772 71.053 13.783 1 45.11 ? N GLN A 80 1 -ATOM 1834 C CA . GLN E 3 80 . 28.36 70.473 12.601 1 42.89 ? CA GLN A 80 1 -ATOM 1835 C C . GLN E 3 80 . 27.525 70.938 11.42 1 41.23 ? C GLN A 80 1 -ATOM 1836 O O . GLN E 3 80 . 26.302 71.124 11.541 1 39.58 ? O GLN A 80 1 -ATOM 1837 C CB . GLN E 3 80 . 28.359 68.94 12.715 1 46.42 ? CB GLN A 80 1 -ATOM 1838 C CG . GLN E 3 80 . 29.252 68.388 13.832 1 43.16 ? CG GLN A 80 1 -ATOM 1839 C CD . GLN E 3 80 . 29.474 66.891 13.706 1 48.16 ? CD GLN A 80 1 -ATOM 1840 O OE1 . GLN E 3 80 . 30.557 66.429 13.31 1 42.62 ? OE1 GLN A 80 1 -ATOM 1841 N NE2 . GLN E 3 80 . 28.443 66.121 14.028 1 46.28 ? NE2 GLN A 80 1 -ATOM 1842 N N . GLU E 3 81 . 28.186 71.163 10.293 1 36.87 ? N GLU A 81 1 -ATOM 1843 C CA . GLU E 3 81 . 27.487 71.603 9.083 1 35.83 ? CA GLU A 81 1 -ATOM 1844 C C . GLU E 3 81 . 26.672 70.453 8.445 1 36.6 ? C GLU A 81 1 -ATOM 1845 O O . GLU E 3 81 . 26.724 69.319 8.936 1 35.61 ? O GLU A 81 1 -ATOM 1846 C CB . GLU E 3 81 . 28.524 72.129 8.107 1 41.66 ? CB GLU A 81 1 -ATOM 1847 C CG . GLU E 3 81 . 29.51 73.051 8.809 1 44.03 ? CG GLU A 81 1 -ATOM 1848 C CD . GLU E 3 81 . 30.367 73.852 7.879 1 49.44 ? CD GLU A 81 1 -ATOM 1849 O OE1 . GLU E 3 81 . 30.417 75.076 8.086 1 55 ? OE1 GLU A 81 1 -ATOM 1850 O OE2 . GLU E 3 81 . 30.989 73.283 6.958 1 48.69 ? OE2 GLU A 81 1 -ATOM 1851 N N . ARG E 3 82 . 25.895 70.748 7.396 1 27.15 ? N ARG A 82 1 -ATOM 1852 C CA . ARG E 3 82 . 25.13 69.725 6.672 1 23.9 ? CA ARG A 82 1 -ATOM 1853 C C . ARG E 3 82 . 26.166 69.218 5.662 1 20.67 ? C ARG A 82 1 -ATOM 1854 O O . ARG E 3 82 . 26.767 70.046 4.983 1 27.73 ? O ARG A 82 1 -ATOM 1855 C CB . ARG E 3 82 . 23.936 70.359 5.96 1 20.29 ? CB ARG A 82 1 -ATOM 1856 C CG . ARG E 3 82 . 22.982 71.156 6.834 1 26.02 ? CG ARG A 82 1 -ATOM 1857 C CD . ARG E 3 82 . 21.699 70.447 7.165 1 18.92 ? CD ARG A 82 1 -ATOM 1858 N NE . ARG E 3 82 . 21.919 69.244 7.969 1 41.63 ? NE ARG A 82 1 -ATOM 1859 C CZ . ARG E 3 82 . 20.977 68.632 8.691 1 38.51 ? CZ ARG A 82 1 -ATOM 1860 N NH1 . ARG E 3 82 . 19.715 69.089 8.731 1 33.68 ? NH1 ARG A 82 1 -ATOM 1861 N NH2 . ARG E 3 82 . 21.307 67.555 9.387 1 38.07 ? NH2 ARG A 82 1 -ATOM 1862 N N . SER E 3 83 . 26.376 67.905 5.537 1 10.76 ? N SER A 83 1 -ATOM 1863 C CA . SER E 3 83 . 27.491 67.424 4.701 1 11.3 ? CA SER A 83 1 -ATOM 1864 C C . SER E 3 83 . 27.305 67.181 3.208 1 6.17 ? C SER A 83 1 -ATOM 1865 O O . SER E 3 83 . 28.297 66.884 2.547 1 8.1 ? O SER A 83 1 -ATOM 1866 C CB . SER E 3 83 . 28.08 66.115 5.275 1 6 ? CB SER A 83 1 -ATOM 1867 O OG . SER E 3 83 . 27.145 65.043 5.227 1 10.48 ? OG SER A 83 1 -ATOM 1868 N N . ALA E 3 84 . 26.112 67.312 2.666 1 6 ? N ALA A 84 1 -ATOM 1869 C CA . ALA E 3 84 . 25.907 67.047 1.234 1 13.33 ? CA ALA A 84 1 -ATOM 1870 C C . ALA E 3 84 . 24.703 67.799 0.768 1 14.8 ? C ALA A 84 1 -ATOM 1871 O O . ALA E 3 84 . 24.214 68.695 1.449 1 19.43 ? O ALA A 84 1 -ATOM 1872 C CB . ALA E 3 84 . 25.678 65.541 0.972 1 22.03 ? CB ALA A 84 1 -ATOM 1873 N N . TRP E 3 85 . 24.214 67.43 -0.394 1 11.47 ? N TRP A 85 1 -ATOM 1874 C CA . TRP E 3 85 . 23.019 68.068 -0.873 1 11.4 ? CA TRP A 85 1 -ATOM 1875 C C . TRP E 3 85 . 21.912 67.055 -1.014 1 10.37 ? C TRP A 85 1 -ATOM 1876 O O . TRP E 3 85 . 22.139 65.862 -1.158 1 20.14 ? O TRP A 85 1 -ATOM 1877 C CB . TRP E 3 85 . 23.3 68.713 -2.199 1 21.53 ? CB TRP A 85 1 -ATOM 1878 C CG . TRP E 3 85 . 23.682 70.12 -2.147 1 21.1 ? CG TRP A 85 1 -ATOM 1879 C CD1 . TRP E 3 85 . 22.833 71.166 -2.15 1 21.65 ? CD1 TRP A 85 1 -ATOM 1880 C CD2 . TRP E 3 85 . 24.991 70.665 -2.223 1 12.05 ? CD2 TRP A 85 1 -ATOM 1881 N NE1 . TRP E 3 85 . 23.526 72.342 -2.251 1 13.68 ? NE1 TRP A 85 1 -ATOM 1882 C CE2 . TRP E 3 85 . 24.856 72.063 -2.303 1 15.41 ? CE2 TRP A 85 1 -ATOM 1883 C CE3 . TRP E 3 85 . 26.257 70.115 -2.251 1 13.77 ? CE3 TRP A 85 1 -ATOM 1884 C CZ2 . TRP E 3 85 . 25.934 72.918 -2.411 1 6.21 ? CZ2 TRP A 85 1 -ATOM 1885 C CZ3 . TRP E 3 85 . 27.344 70.964 -2.357 1 15.3 ? CZ3 TRP A 85 1 -ATOM 1886 C CH2 . TRP E 3 85 . 27.172 72.349 -2.442 1 18.9 ? CH2 TRP A 85 1 -ATOM 1887 N N . VAL E 3 86 . 20.703 67.544 -1.041 1 6 ? N VAL A 86 1 -ATOM 1888 C CA . VAL E 3 86 . 19.566 66.691 -1.097 1 6 ? CA VAL A 86 1 -ATOM 1889 C C . VAL E 3 86 . 18.48 67.505 -1.788 1 13.05 ? C VAL A 86 1 -ATOM 1890 O O . VAL E 3 86 . 18.044 68.556 -1.278 1 19.1 ? O VAL A 86 1 -ATOM 1891 C CB . VAL E 3 86 . 19.164 66.285 0.351 1 6 ? CB VAL A 86 1 -ATOM 1892 C CG1 . VAL E 3 86 . 17.905 65.475 0.357 1 7.7 ? CG1 VAL A 86 1 -ATOM 1893 C CG2 . VAL E 3 86 . 20.252 65.488 0.952 1 6 ? CG2 VAL A 86 1 -ATOM 1894 N N . ARG E 3 87 . 18.078 67.02 -2.96 1 17.12 ? N ARG A 87 1 -ATOM 1895 C CA . ARG E 3 87 . 17.091 67.633 -3.828 1 19.39 ? CA ARG A 87 1 -ATOM 1896 C C . ARG E 3 87 . 15.949 66.657 -4.071 1 23.02 ? C ARG A 87 1 -ATOM 1897 O O . ARG E 3 87 . 16.187 65.5 -4.343 1 27.12 ? O ARG A 87 1 -ATOM 1898 C CB . ARG E 3 87 . 17.784 68.008 -5.14 1 14.28 ? CB ARG A 87 1 -ATOM 1899 C CG . ARG E 3 87 . 16.849 68.186 -6.314 1 29.5 ? CG ARG A 87 1 -ATOM 1900 C CD . ARG E 3 87 . 17.57 68.425 -7.657 1 30.53 ? CD ARG A 87 1 -ATOM 1901 N NE . ARG E 3 87 . 18.262 67.287 -8.268 1 37.35 ? NE ARG A 87 1 -ATOM 1902 C CZ . ARG E 3 87 . 19.565 67.275 -8.582 1 42.86 ? CZ ARG A 87 1 -ATOM 1903 N NH1 . ARG E 3 87 . 20.323 68.349 -8.33 1 35.93 ? NH1 ARG A 87 1 -ATOM 1904 N NH2 . ARG E 3 87 . 20.115 66.203 -9.179 1 27.91 ? NH2 ARG A 87 1 -ATOM 1905 N N . ALA E 3 88 . 14.71 67.11 -3.974 1 30.45 ? N ALA A 88 1 -ATOM 1906 C CA . ALA E 3 88 . 13.575 66.227 -4.192 1 32.4 ? CA ALA A 88 1 -ATOM 1907 C C . ALA E 3 88 . 13.623 65.688 -5.59 1 33.41 ? C ALA A 88 1 -ATOM 1908 O O . ALA E 3 88 . 13.683 66.465 -6.532 1 42.77 ? O ALA A 88 1 -ATOM 1909 C CB . ALA E 3 88 . 12.311 66.975 -4.006 1 31.17 ? CB ALA A 88 1 -ATOM 1910 N N . LYS E 3 89 . 13.631 64.37 -5.734 1 32.75 ? N LYS A 89 1 -ATOM 1911 C CA . LYS E 3 89 . 13.653 63.75 -7.061 1 34.42 ? CA LYS A 89 1 -ATOM 1912 C C . LYS E 3 89 . 12.225 63.831 -7.615 1 30.9 ? C LYS A 89 1 -ATOM 1913 O O . LYS E 3 89 . 11.98 63.888 -8.825 1 32.55 ? O LYS A 89 1 -ATOM 1914 C CB . LYS E 3 89 . 14.12 62.293 -6.93 1 35.68 ? CB LYS A 89 1 -ATOM 1915 C CG . LYS E 3 89 . 14.923 61.824 -8.113 1 36.56 ? CG LYS A 89 1 -ATOM 1916 C CD . LYS E 3 89 . 15.513 60.411 -7.969 1 34.14 ? CD LYS A 89 1 -ATOM 1917 C CE . LYS E 3 89 . 14.535 59.261 -8.223 1 36.64 ? CE LYS A 89 1 -ATOM 1918 N NZ . LYS E 3 89 . 13.699 58.787 -7.09 1 31.48 ? NZ LYS A 89 1 -ATOM 1919 N N . THR E 3 90 . 11.295 63.843 -6.665 1 30.89 ? N THR A 90 1 -ATOM 1920 C CA . THR E 3 90 . 9.86 63.965 -6.886 1 32.73 ? CA THR A 90 1 -ATOM 1921 C C . THR E 3 90 . 9.328 64.859 -5.788 1 33.54 ? C THR A 90 1 -ATOM 1922 O O . THR E 3 90 . 10.102 65.461 -5.047 1 40.04 ? O THR A 90 1 -ATOM 1923 C CB . THR E 3 90 . 9.112 62.62 -6.779 1 34.98 ? CB THR A 90 1 -ATOM 1924 O OG1 . THR E 3 90 . 9.45 62.011 -5.531 1 39.57 ? OG1 THR A 90 1 -ATOM 1925 C CG2 . THR E 3 90 . 9.454 61.702 -7.948 1 40.12 ? CG2 THR A 90 1 -ATOM 1926 N N . ALA E 3 91 . 8.018 64.961 -5.675 1 25.85 ? N ALA A 91 1 -ATOM 1927 C CA . ALA E 3 91 . 7.469 65.797 -4.633 1 27.82 ? CA ALA A 91 1 -ATOM 1928 C C . ALA E 3 91 . 7.696 65.15 -3.272 1 33.09 ? C ALA A 91 1 -ATOM 1929 O O . ALA E 3 91 . 7.71 63.934 -3.167 1 40.41 ? O ALA A 91 1 -ATOM 1930 C CB . ALA E 3 91 . 6.001 65.988 -4.906 1 33.09 ? CB ALA A 91 1 -ATOM 1931 N N . CYS E 3 92 . 7.856 65.918 -2.207 1 36.14 ? N CYS A 92 1 -ATOM 1932 C CA . CYS E 3 92 . 8.078 65.22 -0.961 1 44.77 ? CA CYS A 92 1 -ATOM 1933 C C . CYS E 3 92 . 7.499 65.844 0.302 1 51.16 ? C CYS A 92 1 -ATOM 1934 O O . CYS E 3 92 . 7.872 66.968 0.679 1 55 ? O CYS A 92 1 -ATOM 1935 C CB . CYS E 3 92 . 9.562 65.046 -0.727 1 45.43 ? CB CYS A 92 1 -ATOM 1936 S SG . CYS E 3 92 . 10.418 64.677 -2.19 1 41.87 ? SG CYS A 92 1 -ATOM 1937 N N . GLU E 3 93 . 6.573 65.131 0.942 1 45.15 ? N GLU A 93 1 -ATOM 1938 C CA . GLU E 3 93 . 6.115 65.568 2.247 1 40.07 ? CA GLU A 93 1 -ATOM 1939 C C . GLU E 3 93 . 7.268 65.124 3.163 1 38.57 ? C GLU A 93 1 -ATOM 1940 O O . GLU E 3 93 . 7.531 63.93 3.29 1 46 ? O GLU A 93 1 -ATOM 1941 C CB . GLU E 3 93 . 4.852 64.846 2.683 1 40.37 ? CB GLU A 93 1 -ATOM 1942 C CG . GLU E 3 93 . 3.622 65.062 1.879 1 43.07 ? CG GLU A 93 1 -ATOM 1943 C CD . GLU E 3 93 . 2.458 64.267 2.448 1 46.73 ? CD GLU A 93 1 -ATOM 1944 O OE1 . GLU E 3 93 . 2.482 63.886 3.656 1 45.91 ? OE1 GLU A 93 1 -ATOM 1945 O OE2 . GLU E 3 93 . 1.512 64.026 1.669 1 50.53 ? OE2 GLU A 93 1 -ATOM 1946 N N . VAL E 3 94 . 7.953 66.063 3.784 1 25.26 ? N VAL A 94 1 -ATOM 1947 C CA . VAL E 3 94 . 9.118 65.773 4.592 1 19.52 ? CA VAL A 94 1 -ATOM 1948 C C . VAL E 3 94 . 8.897 66.29 5.995 1 22.16 ? C VAL A 94 1 -ATOM 1949 O O . VAL E 3 94 . 8.955 67.495 6.223 1 27.41 ? O VAL A 94 1 -ATOM 1950 C CB . VAL E 3 94 . 10.345 66.451 3.948 1 27.22 ? CB VAL A 94 1 -ATOM 1951 C CG1 . VAL E 3 94 . 11.586 66.291 4.798 1 34.77 ? CG1 VAL A 94 1 -ATOM 1952 C CG2 . VAL E 3 94 . 10.571 65.836 2.611 1 34.72 ? CG2 VAL A 94 1 -ATOM 1953 N N . ALA E 3 95 . 8.633 65.384 6.932 1 21.55 ? N ALA A 95 1 -ATOM 1954 C CA . ALA E 3 95 . 8.413 65.749 8.331 1 19.89 ? CA ALA A 95 1 -ATOM 1955 C C . ALA E 3 95 . 9.648 66.317 8.977 1 17.88 ? C ALA A 95 1 -ATOM 1956 O O . ALA E 3 95 . 10.783 66.018 8.599 1 20.23 ? O ALA A 95 1 -ATOM 1957 C CB . ALA E 3 95 . 7.982 64.536 9.155 1 23.5 ? CB ALA A 95 1 -ATOM 1958 N N . GLU E 3 96 . 9.41 67.107 10.005 1 25.98 ? N GLU A 96 1 -ATOM 1959 C CA . GLU E 3 96 . 10.49 67.661 10.767 1 29.5 ? CA GLU A 96 1 -ATOM 1960 C C . GLU E 3 96 . 10.201 67.791 12.252 1 33.73 ? C GLU A 96 1 -ATOM 1961 O O . GLU E 3 96 . 9.084 68.046 12.689 1 35.78 ? O GLU A 96 1 -ATOM 1962 C CB . GLU E 3 96 . 10.866 69.051 10.274 1 27.63 ? CB GLU A 96 1 -ATOM 1963 C CG . GLU E 3 96 . 11.637 69.106 9.007 1 32.63 ? CG GLU A 96 1 -ATOM 1964 C CD . GLU E 3 96 . 10.858 69.759 7.912 1 44.18 ? CD GLU A 96 1 -ATOM 1965 O OE1 . GLU E 3 96 . 11.466 70.476 7.088 1 45.71 ? OE1 GLU A 96 1 -ATOM 1966 O OE2 . GLU E 3 96 . 9.629 69.551 7.882 1 53.2 ? OE2 GLU A 96 1 -ATOM 1967 N N . ILE E 3 97 . 11.291 67.564 12.971 1 36.22 ? N ILE A 97 1 -ATOM 1968 C CA . ILE E 3 97 . 11.52 67.749 14.392 1 37.13 ? CA ILE A 97 1 -ATOM 1969 C C . ILE E 3 97 . 12.756 68.579 14.553 1 35.72 ? C ILE A 97 1 -ATOM 1970 O O . ILE E 3 97 . 13.247 69.075 13.552 1 32.79 ? O ILE A 97 1 -ATOM 1971 C CB . ILE E 3 97 . 11.823 66.431 15.203 1 36.02 ? CB ILE A 97 1 -ATOM 1972 C CG1 . ILE E 3 97 . 11.163 65.223 14.564 1 35.7 ? CG1 ILE A 97 1 -ATOM 1973 C CG2 . ILE E 3 97 . 11.213 66.545 16.624 1 24.59 ? CG2 ILE A 97 1 -ATOM 1974 C CD1 . ILE E 3 97 . 11.442 63.942 15.305 1 39.9 ? CD1 ILE A 97 1 -ATOM 1975 N N . SER E 3 98 . 13.287 68.758 15.749 1 40.49 ? N SER A 98 1 -ATOM 1976 C CA . SER E 3 98 . 14.551 69.491 15.807 1 43.85 ? CA SER A 98 1 -ATOM 1977 C C . SER E 3 98 . 15.48 68.575 16.566 1 42.09 ? C SER A 98 1 -ATOM 1978 O O . SER E 3 98 . 15.022 67.554 17.113 1 41.2 ? O SER A 98 1 -ATOM 1979 C CB . SER E 3 98 . 14.391 70.858 16.548 1 42.58 ? CB SER A 98 1 -ATOM 1980 O OG . SER E 3 98 . 14.027 70.74 17.91 1 44.95 ? OG SER A 98 1 -ATOM 1981 N N . TYR E 3 99 . 16.764 68.873 16.614 1 35.58 ? N TYR A 99 1 -ATOM 1982 C CA . TYR E 3 99 . 17.617 67.921 17.281 1 38.18 ? CA TYR A 99 1 -ATOM 1983 C C . TYR E 3 99 . 17.2 67.637 18.724 1 41.1 ? C TYR A 99 1 -ATOM 1984 O O . TYR E 3 99 . 17.006 66.472 19.136 1 35.74 ? O TYR A 99 1 -ATOM 1985 C CB . TYR E 3 99 . 19.056 68.436 17.217 1 32.98 ? CB TYR A 99 1 -ATOM 1986 C CG . TYR E 3 99 . 19.697 68.18 15.859 1 25.49 ? CG TYR A 99 1 -ATOM 1987 C CD1 . TYR E 3 99 . 18.969 67.607 14.814 1 29.95 ? CD1 TYR A 99 1 -ATOM 1988 C CD2 . TYR E 3 99 . 21.021 68.488 15.627 1 22.03 ? CD2 TYR A 99 1 -ATOM 1989 C CE1 . TYR E 3 99 . 19.544 67.349 13.585 1 23.04 ? CE1 TYR A 99 1 -ATOM 1990 C CE2 . TYR E 3 99 . 21.607 68.239 14.409 1 19.43 ? CE2 TYR A 99 1 -ATOM 1991 C CZ . TYR E 3 99 . 20.866 67.666 13.384 1 22.99 ? CZ TYR A 99 1 -ATOM 1992 O OH . TYR E 3 99 . 21.449 67.402 12.167 1 22.8 ? OH TYR A 99 1 -ATOM 1993 N N . LYS E 3 100 . 16.998 68.708 19.48 1 45.21 ? N LYS A 100 1 -ATOM 1994 C CA . LYS E 3 100 . 16.676 68.561 20.889 1 43 ? CA LYS A 100 1 -ATOM 1995 C C . LYS E 3 100 . 15.34 67.917 21.12 1 40.2 ? C LYS A 100 1 -ATOM 1996 O O . LYS E 3 100 . 15.254 67.016 21.96 1 41.22 ? O LYS A 100 1 -ATOM 1997 C CB . LYS E 3 100 . 16.724 69.934 21.591 1 35.73 ? CB LYS A 100 1 -ATOM 1998 C CG . LYS E 3 100 . 18.161 70.482 21.72 1 29.76 ? CG LYS A 100 1 -ATOM 1999 C CD . LYS E 3 100 . 18.414 71.768 20.923 1 33.34 ? CD LYS A 100 1 -ATOM 2000 C CE . LYS E 3 100 . 18.21 71.711 19.371 1 32.98 ? CE LYS A 100 1 -ATOM 2001 N NZ . LYS E 3 100 . 16.791 71.664 18.855 1 32.31 ? NZ LYS A 100 1 -ATOM 2002 N N . LYS E 3 101 . 14.299 68.313 20.396 1 24.97 ? N LYS A 101 1 -ATOM 2003 C CA . LYS E 3 101 . 13.056 67.66 20.732 1 29.84 ? CA LYS A 101 1 -ATOM 2004 C C . LYS E 3 101 . 13.182 66.176 20.428 1 37.14 ? C LYS A 101 1 -ATOM 2005 O O . LYS E 3 101 . 12.539 65.33 21.077 1 41.51 ? O LYS A 101 1 -ATOM 2006 C CB . LYS E 3 101 . 11.893 68.258 19.947 1 37.74 ? CB LYS A 101 1 -ATOM 2007 C CG . LYS E 3 101 . 10.519 67.818 20.523 1 43.67 ? CG LYS A 101 1 -ATOM 2008 C CD . LYS E 3 101 . 10.494 68.057 22.042 1 43.49 ? CD LYS A 101 1 -ATOM 2009 C CE . LYS E 3 101 . 9.179 67.691 22.696 1 50.32 ? CE LYS A 101 1 -ATOM 2010 N NZ . LYS E 3 101 . 9.374 67.623 24.18 1 43.61 ? NZ LYS A 101 1 -ATOM 2011 N N . PHE E 3 102 . 14.044 65.86 19.463 1 45.97 ? N PHE A 102 1 -ATOM 2012 C CA . PHE E 3 102 . 14.285 64.473 19.109 1 40.49 ? CA PHE A 102 1 -ATOM 2013 C C . PHE E 3 102 . 14.964 63.738 20.278 1 33.92 ? C PHE A 102 1 -ATOM 2014 O O . PHE E 3 102 . 14.473 62.698 20.702 1 35.16 ? O PHE A 102 1 -ATOM 2015 C CB . PHE E 3 102 . 15.173 64.382 17.859 1 30.78 ? CB PHE A 102 1 -ATOM 2016 C CG . PHE E 3 102 . 15.397 62.981 17.421 1 19.48 ? CG PHE A 102 1 -ATOM 2017 C CD1 . PHE E 3 102 . 14.377 62.268 16.87 1 21.14 ? CD1 PHE A 102 1 -ATOM 2018 C CD2 . PHE E 3 102 . 16.623 62.382 17.582 1 26.31 ? CD2 PHE A 102 1 -ATOM 2019 C CE1 . PHE E 3 102 . 14.565 60.979 16.484 1 25.78 ? CE1 PHE A 102 1 -ATOM 2020 C CE2 . PHE E 3 102 . 16.836 61.075 17.197 1 28.19 ? CE2 PHE A 102 1 -ATOM 2021 C CZ . PHE E 3 102 . 15.816 60.372 16.646 1 25.6 ? CZ PHE A 102 1 -ATOM 2022 N N . ARG E 3 103 . 16.073 64.26 20.806 1 33.19 ? N ARG A 103 1 -ATOM 2023 C CA . ARG E 3 103 . 16.729 63.605 21.947 1 37.05 ? CA ARG A 103 1 -ATOM 2024 C C . ARG E 3 103 . 15.728 63.449 23.119 1 43.35 ? C ARG A 103 1 -ATOM 2025 O O . ARG E 3 103 . 15.731 62.435 23.839 1 43.03 ? O ARG A 103 1 -ATOM 2026 C CB . ARG E 3 103 . 17.916 64.432 22.421 1 33 ? CB ARG A 103 1 -ATOM 2027 C CG . ARG E 3 103 . 18.814 64.818 21.332 1 24.18 ? CG ARG A 103 1 -ATOM 2028 C CD . ARG E 3 103 . 19.932 65.615 21.893 1 28.95 ? CD ARG A 103 1 -ATOM 2029 N NE . ARG E 3 103 . 20.518 66.415 20.82 1 35.23 ? NE ARG A 103 1 -ATOM 2030 C CZ . ARG E 3 103 . 21.816 66.637 20.659 1 29.7 ? CZ ARG A 103 1 -ATOM 2031 N NH1 . ARG E 3 103 . 22.71 66.122 21.495 1 30.43 ? NH1 ARG A 103 1 -ATOM 2032 N NH2 . ARG E 3 103 . 22.221 67.395 19.658 1 38.48 ? NH2 ARG A 103 1 -ATOM 2033 N N . GLN E 3 104 . 14.892 64.474 23.302 1 36.81 ? N GLN A 104 1 -ATOM 2034 C CA . GLN E 3 104 . 13.846 64.47 24.308 1 35.02 ? CA GLN A 104 1 -ATOM 2035 C C . GLN E 3 104 . 12.879 63.373 23.94 1 32.89 ? C GLN A 104 1 -ATOM 2036 O O . GLN E 3 104 . 12.262 62.769 24.786 1 36.28 ? O GLN A 104 1 -ATOM 2037 C CB . GLN E 3 104 . 13.14 65.842 24.331 1 45.28 ? CB GLN A 104 1 -ATOM 2038 C CG . GLN E 3 104 . 13.956 66.951 25.042 1 47.48 ? CG GLN A 104 1 -ATOM 2039 C CD . GLN E 3 104 . 13.487 68.386 24.755 1 53.21 ? CD GLN A 104 1 -ATOM 2040 O OE1 . GLN E 3 104 . 12.301 68.727 24.868 1 48.25 ? OE1 GLN A 104 1 -ATOM 2041 N NE2 . GLN E 3 104 . 14.444 69.236 24.383 1 52.3 ? NE2 GLN A 104 1 -ATOM 2042 N N . LEU E 3 105 . 12.758 63.127 22.649 1 33.82 ? N LEU A 105 1 -ATOM 2043 C CA . LEU E 3 105 . 11.908 62.077 22.132 1 34.59 ? CA LEU A 105 1 -ATOM 2044 C C . LEU E 3 105 . 12.575 60.723 22.23 1 37.42 ? C LEU A 105 1 -ATOM 2045 O O . LEU E 3 105 . 11.919 59.709 21.962 1 42.68 ? O LEU A 105 1 -ATOM 2046 C CB . LEU E 3 105 . 11.579 62.342 20.677 1 45.85 ? CB LEU A 105 1 -ATOM 2047 C CG . LEU E 3 105 . 10.73 63.542 20.304 1 43.79 ? CG LEU A 105 1 -ATOM 2048 C CD1 . LEU E 3 105 . 10.92 63.884 18.835 1 50.06 ? CD1 LEU A 105 1 -ATOM 2049 C CD2 . LEU E 3 105 . 9.304 63.229 20.645 1 43.91 ? CD2 LEU A 105 1 -ATOM 2050 N N . ILE E 3 106 . 13.868 60.699 22.563 1 40.48 ? N ILE A 106 1 -ATOM 2051 C CA . ILE E 3 106 . 14.614 59.434 22.677 1 42.64 ? CA ILE A 106 1 -ATOM 2052 C C . ILE E 3 106 . 14.595 58.81 24.083 1 47.81 ? C ILE A 106 1 -ATOM 2053 O O . ILE E 3 106 . 14.244 57.625 24.228 1 51.24 ? O ILE A 106 1 -ATOM 2054 C CB . ILE E 3 106 . 16.105 59.544 22.372 1 36.82 ? CB ILE A 106 1 -ATOM 2055 C CG1 . ILE E 3 106 . 16.359 60.281 21.078 1 41.93 ? CG1 ILE A 106 1 -ATOM 2056 C CG2 . ILE E 3 106 . 16.661 58.133 22.176 1 42.11 ? CG2 ILE A 106 1 -ATOM 2057 C CD1 . ILE E 3 106 . 17.837 60.397 20.805 1 39.03 ? CD1 ILE A 106 1 -ATOM 2058 N N . GLN E 3 107 . 15.003 59.59 25.098 1 47.45 ? N GLN A 107 1 -ATOM 2059 C CA . GLN E 3 107 . 15.083 59.127 26.491 1 44.95 ? CA GLN A 107 1 -ATOM 2060 C C . GLN E 3 107 . 13.72 58.642 27.008 1 41.91 ? C GLN A 107 1 -ATOM 2061 O O . GLN E 3 107 . 13.572 58.302 28.181 1 47.41 ? O GLN A 107 1 -ATOM 2062 C CB . GLN E 3 107 . 15.637 60.284 27.346 1 52.08 ? CB GLN A 107 1 -ATOM 2063 C CG . GLN E 3 107 . 16.568 59.913 28.541 1 52.32 ? CG GLN A 107 1 -ATOM 2064 C CD . GLN E 3 107 . 15.862 59.661 29.885 1 55 ? CD GLN A 107 1 -ATOM 2065 O OE1 . GLN E 3 107 . 16.185 58.702 30.591 1 52.6 ? OE1 GLN A 107 1 -ATOM 2066 N NE2 . GLN E 3 107 . 14.917 60.537 30.251 1 52.61 ? NE2 GLN A 107 1 -ATOM 2067 N N . VAL E 3 108 . 12.712 58.676 26.142 1 38.72 ? N VAL A 108 1 -ATOM 2068 C CA . VAL E 3 108 . 11.36 58.338 26.538 1 41.32 ? CA VAL A 108 1 -ATOM 2069 C C . VAL E 3 108 . 11.091 56.989 25.817 1 48.15 ? C VAL A 108 1 -ATOM 2070 O O . VAL E 3 108 . 11.154 55.962 26.48 1 52.87 ? O VAL A 108 1 -ATOM 2071 C CB . VAL E 3 108 . 10.315 59.411 26.071 1 47.46 ? CB VAL A 108 1 -ATOM 2072 C CG1 . VAL E 3 108 . 8.914 59.04 26.584 1 52.09 ? CG1 VAL A 108 1 -ATOM 2073 C CG2 . VAL E 3 108 . 10.692 60.777 26.618 1 50.35 ? CG2 VAL A 108 1 -ATOM 2074 N N . ASN E 3 109 . 10.869 56.931 24.496 1 51.35 ? N ASN A 109 1 -ATOM 2075 C CA . ASN E 3 109 . 10.745 55.637 23.727 1 50.46 ? CA ASN A 109 1 -ATOM 2076 C C . ASN E 3 109 . 11.969 55.35 22.877 1 46.8 ? C ASN A 109 1 -ATOM 2077 O O . ASN E 3 109 . 12.034 55.776 21.729 1 52.04 ? O ASN A 109 1 -ATOM 2078 C CB . ASN E 3 109 . 9.546 55.532 22.769 1 54.74 ? CB ASN A 109 1 -ATOM 2079 C CG . ASN E 3 109 . 9.575 54.228 21.942 1 55 ? CG ASN A 109 1 -ATOM 2080 O OD1 . ASN E 3 109 . 10.471 53.395 22.102 1 50.39 ? OD1 ASN A 109 1 -ATOM 2081 N ND2 . ASN E 3 109 . 8.596 54.056 21.062 1 55 ? ND2 ASN A 109 1 -ATOM 2082 N N . PRO E 3 110 . 12.902 54.537 23.38 1 47.69 ? N PRO A 110 1 -ATOM 2083 C CA . PRO E 3 110 . 14.184 54.312 22.696 1 45.67 ? CA PRO A 110 1 -ATOM 2084 C C . PRO E 3 110 . 14.043 53.766 21.261 1 43.39 ? C PRO A 110 1 -ATOM 2085 O O . PRO E 3 110 . 14.993 53.821 20.47 1 38.25 ? O PRO A 110 1 -ATOM 2086 C CB . PRO E 3 110 . 14.914 53.371 23.652 1 44.78 ? CB PRO A 110 1 -ATOM 2087 C CG . PRO E 3 110 . 13.754 52.501 24.152 1 43.86 ? CG PRO A 110 1 -ATOM 2088 C CD . PRO E 3 110 . 12.804 53.626 24.564 1 46.08 ? CD PRO A 110 1 -ATOM 2089 N N . ASP E 3 111 . 12.848 53.311 20.904 1 37.97 ? N ASP A 111 1 -ATOM 2090 C CA . ASP E 3 111 . 12.653 52.671 19.625 1 39.63 ? CA ASP A 111 1 -ATOM 2091 C C . ASP E 3 111 . 13.221 53.406 18.418 1 44.48 ? C ASP A 111 1 -ATOM 2092 O O . ASP E 3 111 . 14.062 52.808 17.717 1 39.4 ? O ASP A 111 1 -ATOM 2093 C CB . ASP E 3 111 . 11.161 52.423 19.393 1 48.25 ? CB ASP A 111 1 -ATOM 2094 C CG . ASP E 3 111 . 10.895 51.126 18.591 1 48.08 ? CG ASP A 111 1 -ATOM 2095 O OD1 . ASP E 3 111 . 11.851 50.322 18.419 1 43.79 ? OD1 ASP A 111 1 -ATOM 2096 O OD2 . ASP E 3 111 . 9.738 50.901 18.145 1 47.39 ? OD2 ASP A 111 1 -ATOM 2097 N N . ILE E 3 112 . 12.816 54.667 18.167 1 48.35 ? N ILE A 112 1 -ATOM 2098 C CA . ILE E 3 112 . 13.295 55.373 16.956 1 44.75 ? CA ILE A 112 1 -ATOM 2099 C C . ILE E 3 112 . 14.773 55.701 16.961 1 41.87 ? C ILE A 112 1 -ATOM 2100 O O . ILE E 3 112 . 15.311 55.94 15.867 1 48.94 ? O ILE A 112 1 -ATOM 2101 C CB . ILE E 3 112 . 12.531 56.748 16.647 1 36.77 ? CB ILE A 112 1 -ATOM 2102 C CG1 . ILE E 3 112 . 12.367 57.586 17.918 1 37.3 ? CG1 ILE A 112 1 -ATOM 2103 C CG2 . ILE E 3 112 . 11.223 56.426 15.958 1 34.08 ? CG2 ILE A 112 1 -ATOM 2104 C CD1 . ILE E 3 112 . 13.649 58.261 18.423 1 36.8 ? CD1 ILE A 112 1 -ATOM 2105 N N . LEU E 3 113 . 15.446 55.745 18.113 1 31.61 ? N LEU A 113 1 -ATOM 2106 C CA . LEU E 3 113 . 16.881 55.939 17.971 1 27.12 ? CA LEU A 113 1 -ATOM 2107 C C . LEU E 3 113 . 17.323 54.705 17.234 1 27.97 ? C LEU A 113 1 -ATOM 2108 O O . LEU E 3 113 . 18.153 54.775 16.328 1 25.44 ? O LEU A 113 1 -ATOM 2109 C CB . LEU E 3 113 . 17.656 55.983 19.294 1 22.58 ? CB LEU A 113 1 -ATOM 2110 C CG . LEU E 3 113 . 19.141 56.235 18.988 1 18.06 ? CG LEU A 113 1 -ATOM 2111 C CD1 . LEU E 3 113 . 19.228 57.151 17.782 1 19.08 ? CD1 LEU A 113 1 -ATOM 2112 C CD2 . LEU E 3 113 . 19.853 56.889 20.172 1 20.1 ? CD2 LEU A 113 1 -ATOM 2113 N N . MET E 3 114 . 16.709 53.581 17.605 1 26.77 ? N MET A 114 1 -ATOM 2114 C CA . MET E 3 114 . 17.028 52.332 16.953 1 30.66 ? CA MET A 114 1 -ATOM 2115 C C . MET E 3 114 . 16.657 52.385 15.517 1 32.97 ? C MET A 114 1 -ATOM 2116 O O . MET E 3 114 . 17.494 52.024 14.703 1 45.97 ? O MET A 114 1 -ATOM 2117 C CB . MET E 3 114 . 16.3 51.13 17.575 1 33.3 ? CB MET A 114 1 -ATOM 2118 C CG . MET E 3 114 . 17.002 50.465 18.783 1 37.71 ? CG MET A 114 1 -ATOM 2119 S SD . MET E 3 114 . 18.657 49.73 18.472 1 45.94 ? SD MET A 114 1 -ATOM 2120 C CE . MET E 3 114 . 18.267 48.085 17.927 1 48.02 ? CE MET A 114 1 -ATOM 2121 N N . ARG E 3 115 . 15.449 52.827 15.17 1 34.44 ? N ARG A 115 1 -ATOM 2122 C CA . ARG E 3 115 . 15.096 52.839 13.735 1 34.05 ? CA ARG A 115 1 -ATOM 2123 C C . ARG E 3 115 . 15.974 53.78 12.918 1 25.98 ? C ARG A 115 1 -ATOM 2124 O O . ARG E 3 115 . 16.183 53.55 11.743 1 28.7 ? O ARG A 115 1 -ATOM 2125 C CB . ARG E 3 115 . 13.595 53.211 13.52 1 28.57 ? CB ARG A 115 1 -ATOM 2126 C CG . ARG E 3 115 . 12.626 51.996 13.837 1 24.98 ? CG ARG A 115 1 -ATOM 2127 C CD . ARG E 3 115 . 11.093 52.206 13.574 1 27.12 ? CD ARG A 115 1 -ATOM 2128 N NE . ARG E 3 115 . 10.28 51.531 14.598 1 28.89 ? NE ARG A 115 1 -ATOM 2129 C CZ . ARG E 3 115 . 8.998 51.138 14.498 1 35.35 ? CZ ARG A 115 1 -ATOM 2130 N NH1 . ARG E 3 115 . 8.269 51.314 13.393 1 27.17 ? NH1 ARG A 115 1 -ATOM 2131 N NH2 . ARG E 3 115 . 8.405 50.582 15.559 1 34.01 ? NH2 ARG A 115 1 -ATOM 2132 N N . LEU E 3 116 . 16.528 54.815 13.517 1 25.4 ? N LEU A 116 1 -ATOM 2133 C CA . LEU E 3 116 . 17.41 55.673 12.75 1 20.29 ? CA LEU A 116 1 -ATOM 2134 C C . LEU E 3 116 . 18.768 54.96 12.568 1 27.21 ? C LEU A 116 1 -ATOM 2135 O O . LEU E 3 116 . 19.22 54.727 11.451 1 37.2 ? O LEU A 116 1 -ATOM 2136 C CB . LEU E 3 116 . 17.569 56.99 13.497 1 24.72 ? CB LEU A 116 1 -ATOM 2137 C CG . LEU E 3 116 . 18.483 58.072 12.934 1 27.81 ? CG LEU A 116 1 -ATOM 2138 C CD1 . LEU E 3 116 . 17.667 59.205 12.381 1 33.13 ? CD1 LEU A 116 1 -ATOM 2139 C CD2 . LEU E 3 116 . 19.365 58.61 14.058 1 30.23 ? CD2 LEU A 116 1 -ATOM 2140 N N . SER E 3 117 . 19.415 54.578 13.662 1 38.07 ? N SER A 117 1 -ATOM 2141 C CA . SER E 3 117 . 20.719 53.884 13.625 1 36.79 ? CA SER A 117 1 -ATOM 2142 C C . SER E 3 117 . 20.775 52.74 12.617 1 37.19 ? C SER A 117 1 -ATOM 2143 O O . SER E 3 117 . 21.813 52.478 11.992 1 42.34 ? O SER A 117 1 -ATOM 2144 C CB . SER E 3 117 . 21.069 53.295 14.996 1 38.67 ? CB SER A 117 1 -ATOM 2145 O OG . SER E 3 117 . 21.44 54.306 15.913 1 36.02 ? OG SER A 117 1 -ATOM 2146 N N . ALA E 3 118 . 19.663 52.04 12.476 1 22.6 ? N ALA A 118 1 -ATOM 2147 C CA . ALA E 3 118 . 19.629 50.945 11.554 1 19.84 ? CA ALA A 118 1 -ATOM 2148 C C . ALA E 3 118 . 19.901 51.44 10.131 1 22.4 ? C ALA A 118 1 -ATOM 2149 O O . ALA E 3 118 . 20.735 50.855 9.421 1 27.22 ? O ALA A 118 1 -ATOM 2150 C CB . ALA E 3 118 . 18.265 50.268 11.648 1 24.15 ? CB ALA A 118 1 -ATOM 2151 N N . GLN E 3 119 . 19.221 52.526 9.727 1 28.22 ? N GLN A 119 1 -ATOM 2152 C CA . GLN E 3 119 . 19.362 53.105 8.372 1 24.21 ? CA GLN A 119 1 -ATOM 2153 C C . GLN E 3 119 . 20.757 53.58 8.133 1 23.19 ? C GLN A 119 1 -ATOM 2154 O O . GLN E 3 119 . 21.231 53.51 7.012 1 30.33 ? O GLN A 119 1 -ATOM 2155 C CB . GLN E 3 119 . 18.427 54.288 8.166 1 18.3 ? CB GLN A 119 1 -ATOM 2156 C CG . GLN E 3 119 . 16.947 53.888 8.132 1 17.35 ? CG GLN A 119 1 -ATOM 2157 C CD . GLN E 3 119 . 16.015 55.084 8.034 1 14.29 ? CD GLN A 119 1 -ATOM 2158 O OE1 . GLN E 3 119 . 16.451 56.249 7.981 1 17.8 ? OE1 GLN A 119 1 -ATOM 2159 N NE2 . GLN E 3 119 . 14.723 54.806 7.998 1 7.09 ? NE2 GLN A 119 1 -ATOM 2160 N N . MET E 3 120 . 21.414 54.052 9.186 1 19.53 ? N MET A 120 1 -ATOM 2161 C CA . MET E 3 120 . 22.786 54.523 9.091 1 14.14 ? CA MET A 120 1 -ATOM 2162 C C . MET E 3 120 . 23.732 53.344 9.01 1 14.33 ? C MET A 120 1 -ATOM 2163 O O . MET E 3 120 . 24.902 53.517 8.733 1 24.43 ? O MET A 120 1 -ATOM 2164 C CB . MET E 3 120 . 23.191 55.363 10.317 1 19.81 ? CB MET A 120 1 -ATOM 2165 C CG . MET E 3 120 . 22.223 56.439 10.763 1 19.08 ? CG MET A 120 1 -ATOM 2166 S SD . MET E 3 120 . 23.222 57.697 11.506 1 23.1 ? SD MET A 120 1 -ATOM 2167 C CE . MET E 3 120 . 23.537 57.081 13.075 1 10.79 ? CE MET A 120 1 -ATOM 2168 N N . ALA E 3 121 . 23.259 52.145 9.311 1 20.5 ? N ALA A 121 1 -ATOM 2169 C CA . ALA E 3 121 . 24.121 50.97 9.204 1 18.62 ? CA ALA A 121 1 -ATOM 2170 C C . ALA E 3 121 . 24.156 50.56 7.731 1 18.96 ? C ALA A 121 1 -ATOM 2171 O O . ALA E 3 121 . 25.211 50.337 7.152 1 15.12 ? O ALA A 121 1 -ATOM 2172 C CB . ALA E 3 121 . 23.56 49.851 10.061 1 17.1 ? CB ALA A 121 1 -ATOM 2173 N N . ARG E 3 122 . 22.987 50.464 7.119 1 20.5 ? N ARG A 122 1 -ATOM 2174 C CA . ARG E 3 122 . 22.92 50.153 5.698 1 18.16 ? CA ARG A 122 1 -ATOM 2175 C C . ARG E 3 122 . 23.799 51.131 4.94 1 21.1 ? C ARG A 122 1 -ATOM 2176 O O . ARG E 3 122 . 24.712 50.739 4.2 1 27.08 ? O ARG A 122 1 -ATOM 2177 C CB . ARG E 3 122 . 21.519 50.315 5.131 1 26.23 ? CB ARG A 122 1 -ATOM 2178 C CG . ARG E 3 122 . 20.632 49.118 4.997 1 32.55 ? CG ARG A 122 1 -ATOM 2179 C CD . ARG E 3 122 . 21.245 48.032 4.128 1 36.45 ? CD ARG A 122 1 -ATOM 2180 N NE . ARG E 3 122 . 22.133 47.193 4.924 1 29.17 ? NE ARG A 122 1 -ATOM 2181 C CZ . ARG E 3 122 . 21.705 46.407 5.904 1 31.31 ? CZ ARG A 122 1 -ATOM 2182 N NH1 . ARG E 3 122 . 20.404 46.36 6.189 1 15.69 ? NH1 ARG A 122 1 -ATOM 2183 N NH2 . ARG E 3 122 . 22.574 45.687 6.608 1 34.39 ? NH2 ARG A 122 1 -ATOM 2184 N N . ARG E 3 123 . 23.537 52.422 5.137 1 13.99 ? N ARG A 123 1 -ATOM 2185 C CA . ARG E 3 123 . 24.27 53.428 4.383 1 6 ? CA ARG A 123 1 -ATOM 2186 C C . ARG E 3 123 . 25.763 53.258 4.407 1 6 ? C ARG A 123 1 -ATOM 2187 O O . ARG E 3 123 . 26.442 53.5 3.42 1 15.85 ? O ARG A 123 1 -ATOM 2188 C CB . ARG E 3 123 . 23.933 54.805 4.895 1 6 ? CB ARG A 123 1 -ATOM 2189 C CG . ARG E 3 123 . 22.506 55.089 4.676 1 6 ? CG ARG A 123 1 -ATOM 2190 C CD . ARG E 3 123 . 22.106 56.403 5.197 1 10.26 ? CD ARG A 123 1 -ATOM 2191 N NE . ARG E 3 123 . 20.651 56.496 5.193 1 13.27 ? NE ARG A 123 1 -ATOM 2192 C CZ . ARG E 3 123 . 20.015 57.592 5.59 1 13.62 ? CZ ARG A 123 1 -ATOM 2193 N NH1 . ARG E 3 123 . 20.722 58.637 6.011 1 14.69 ? NH1 ARG A 123 1 -ATOM 2194 N NH2 . ARG E 3 123 . 18.689 57.658 5.531 1 16.88 ? NH2 ARG A 123 1 -ATOM 2195 N N . LEU E 3 124 . 26.319 52.814 5.505 1 9.91 ? N LEU A 124 1 -ATOM 2196 C CA . LEU E 3 124 . 27.761 52.718 5.489 1 11.28 ? CA LEU A 124 1 -ATOM 2197 C C . LEU E 3 124 . 28.113 51.476 4.713 1 10.41 ? C LEU A 124 1 -ATOM 2198 O O . LEU E 3 124 . 29.233 51.355 4.194 1 16.33 ? O LEU A 124 1 -ATOM 2199 C CB . LEU E 3 124 . 28.307 52.645 6.931 1 6.34 ? CB LEU A 124 1 -ATOM 2200 C CG . LEU E 3 124 . 29.815 52.737 7.161 1 12.65 ? CG LEU A 124 1 -ATOM 2201 C CD1 . LEU E 3 124 . 30.422 54.077 6.678 1 6 ? CD1 LEU A 124 1 -ATOM 2202 C CD2 . LEU E 3 124 . 30.005 52.537 8.664 1 16 ? CD2 LEU A 124 1 -ATOM 2203 N N . GLN E 3 125 . 27.19 50.518 4.66 1 7.92 ? N GLN A 125 1 -ATOM 2204 C CA . GLN E 3 125 . 27.51 49.324 3.878 1 8.94 ? CA GLN A 125 1 -ATOM 2205 C C . GLN E 3 125 . 27.444 49.722 2.431 1 8.42 ? C GLN A 125 1 -ATOM 2206 O O . GLN E 3 125 . 28.398 49.513 1.683 1 17.44 ? O GLN A 125 1 -ATOM 2207 C CB . GLN E 3 125 . 26.517 48.203 4.105 1 15.87 ? CB GLN A 125 1 -ATOM 2208 C CG . GLN E 3 125 . 26.741 47.346 5.288 1 16.47 ? CG GLN A 125 1 -ATOM 2209 C CD . GLN E 3 125 . 25.516 46.564 5.541 1 15.39 ? CD GLN A 125 1 -ATOM 2210 O OE1 . GLN E 3 125 . 24.528 47.149 5.871 1 21.61 ? OE1 GLN A 125 1 -ATOM 2211 N NE2 . GLN E 3 125 . 25.545 45.247 5.346 1 28.19 ? NE2 GLN A 125 1 -ATOM 2212 N N . VAL E 3 126 . 26.347 50.346 2.042 1 6 ? N VAL A 126 1 -ATOM 2213 C CA . VAL E 3 126 . 26.253 50.702 0.67 1 6 ? CA VAL A 126 1 -ATOM 2214 C C . VAL E 3 126 . 27.383 51.622 0.227 1 8.1 ? C VAL A 126 1 -ATOM 2215 O O . VAL E 3 126 . 27.978 51.406 -0.846 1 17.67 ? O VAL A 126 1 -ATOM 2216 C CB . VAL E 3 126 . 24.928 51.357 0.416 1 6 ? CB VAL A 126 1 -ATOM 2217 C CG1 . VAL E 3 126 . 24.803 51.78 -1.051 1 13.12 ? CG1 VAL A 126 1 -ATOM 2218 C CG2 . VAL E 3 126 . 23.849 50.36 0.749 1 7.74 ? CG2 VAL A 126 1 -ATOM 2219 N N . THR E 3 127 . 27.721 52.604 1.052 1 6 ? N THR A 127 1 -ATOM 2220 C CA . THR E 3 127 . 28.733 53.532 0.69 1 6 ? CA THR A 127 1 -ATOM 2221 C C . THR E 3 127 . 30.055 52.911 0.657 1 6 ? C THR A 127 1 -ATOM 2222 O O . THR E 3 127 . 30.918 53.374 -0.087 1 13.11 ? O THR A 127 1 -ATOM 2223 C CB . THR E 3 127 . 28.745 54.701 1.657 1 11.39 ? CB THR A 127 1 -ATOM 2224 O OG1 . THR E 3 127 . 27.427 55.255 1.683 1 13.01 ? OG1 THR A 127 1 -ATOM 2225 C CG2 . THR E 3 127 . 29.694 55.832 1.192 1 6 ? CG2 THR A 127 1 -ATOM 2226 N N . SER E 3 128 . 30.259 51.878 1.462 1 12.31 ? N SER A 128 1 -ATOM 2227 C CA . SER E 3 128 . 31.563 51.178 1.477 1 14.09 ? CA SER A 128 1 -ATOM 2228 C C . SER E 3 128 . 31.762 50.427 0.187 1 10.53 ? C SER A 128 1 -ATOM 2229 O O . SER E 3 128 . 32.861 50.334 -0.308 1 6 ? O SER A 128 1 -ATOM 2230 C CB . SER E 3 128 . 31.655 50.17 2.631 1 10.98 ? CB SER A 128 1 -ATOM 2231 O OG . SER E 3 128 . 31.974 50.83 3.844 1 14.25 ? OG SER A 128 1 -ATOM 2232 N N . GLU E 3 129 . 30.65 49.883 -0.309 1 20.35 ? N GLU A 129 1 -ATOM 2233 C CA . GLU E 3 129 . 30.589 49.141 -1.543 1 23.84 ? CA GLU A 129 1 -ATOM 2234 C C . GLU E 3 129 . 30.949 50.11 -2.668 1 22.94 ? C GLU A 129 1 -ATOM 2235 O O . GLU E 3 129 . 31.856 49.806 -3.488 1 22.27 ? O GLU A 129 1 -ATOM 2236 C CB . GLU E 3 129 . 29.173 48.588 -1.726 1 23.35 ? CB GLU A 129 1 -ATOM 2237 C CG . GLU E 3 129 . 28.958 47.628 -2.886 1 25.33 ? CG GLU A 129 1 -ATOM 2238 C CD . GLU E 3 129 . 27.5 47.672 -3.411 1 40.56 ? CD GLU A 129 1 -ATOM 2239 O OE1 . GLU E 3 129 . 26.597 48.146 -2.682 1 38.47 ? OE1 GLU A 129 1 -ATOM 2240 O OE2 . GLU E 3 129 . 27.238 47.256 -4.573 1 47.9 ? OE2 GLU A 129 1 -ATOM 2241 N N . LYS E 3 130 . 30.272 51.27 -2.686 1 9.38 ? N LYS A 130 1 -ATOM 2242 C CA . LYS E 3 130 . 30.55 52.281 -3.708 1 7.04 ? CA LYS A 130 1 -ATOM 2243 C C . LYS E 3 130 . 32.003 52.608 -3.794 1 7.28 ? C LYS A 130 1 -ATOM 2244 O O . LYS E 3 130 . 32.503 52.849 -4.882 1 13.23 ? O LYS A 130 1 -ATOM 2245 C CB . LYS E 3 130 . 29.827 53.602 -3.455 1 8.63 ? CB LYS A 130 1 -ATOM 2246 C CG . LYS E 3 130 . 30.187 54.652 -4.516 1 12.81 ? CG LYS A 130 1 -ATOM 2247 C CD . LYS E 3 130 . 29.368 55.948 -4.45 1 16.18 ? CD LYS A 130 1 -ATOM 2248 C CE . LYS E 3 130 . 27.935 55.78 -4.926 1 12.95 ? CE LYS A 130 1 -ATOM 2249 N NZ . LYS E 3 130 . 27.781 56.616 -6.148 1 22.3 ? NZ LYS A 130 1 -ATOM 2250 N N . VAL E 3 131 . 32.684 52.656 -2.652 1 8.09 ? N VAL A 131 1 -ATOM 2251 C CA . VAL E 3 131 . 34.114 52.926 -2.69 1 7.49 ? CA VAL A 131 1 -ATOM 2252 C C . VAL E 3 131 . 34.848 51.662 -3.126 1 8.99 ? C VAL A 131 1 -ATOM 2253 O O . VAL E 3 131 . 36.014 51.685 -3.466 1 19.06 ? O VAL A 131 1 -ATOM 2254 C CB . VAL E 3 131 . 34.6 53.392 -1.305 1 6 ? CB VAL A 131 1 -ATOM 2255 C CG1 . VAL E 3 131 . 36.077 53.814 -1.366 1 6 ? CG1 VAL A 131 1 -ATOM 2256 C CG2 . VAL E 3 131 . 33.742 54.559 -0.858 1 6 ? CG2 VAL A 131 1 -ATOM 2257 N N . GLY E 3 132 . 34.178 50.519 -3.073 1 11.39 ? N GLY A 132 1 -ATOM 2258 C CA . GLY E 3 132 . 34.81 49.342 -3.623 1 6.63 ? CA GLY A 132 1 -ATOM 2259 C C . GLY E 3 132 . 34.719 49.479 -5.15 1 13.79 ? C GLY A 132 1 -ATOM 2260 O O . GLY E 3 132 . 35.727 49.433 -5.891 1 6 ? O GLY A 132 1 -ATOM 2261 N N . ASN E 3 133 . 33.493 49.698 -5.632 1 13.46 ? N ASN A 133 1 -ATOM 2262 C CA . ASN E 3 133 . 33.268 49.866 -7.061 1 15.82 ? CA ASN A 133 1 -ATOM 2263 C C . ASN E 3 133 . 34.171 50.944 -7.692 1 15.49 ? C ASN A 133 1 -ATOM 2264 O O . ASN E 3 133 . 34.839 50.661 -8.681 1 23.4 ? O ASN A 133 1 -ATOM 2265 C CB . ASN E 3 133 . 31.793 50.185 -7.281 1 16.61 ? CB ASN A 133 1 -ATOM 2266 C CG . ASN E 3 133 . 30.907 49.006 -6.889 1 28 ? CG ASN A 133 1 -ATOM 2267 O OD1 . ASN E 3 133 . 31.415 47.957 -6.479 1 32.39 ? OD1 ASN A 133 1 -ATOM 2268 N ND2 . ASN E 3 133 . 29.592 49.165 -7.004 1 21.42 ? ND2 ASN A 133 1 -ATOM 2269 N N . LEU E 3 134 . 34.261 52.142 -7.13 1 14.32 ? N LEU A 134 1 -ATOM 2270 C CA . LEU E 3 134 . 35.111 53.17 -7.727 1 6 ? CA LEU A 134 1 -ATOM 2271 C C . LEU E 3 134 . 36.531 52.736 -7.784 1 6 ? C LEU A 134 1 -ATOM 2272 O O . LEU E 3 134 . 37.214 52.973 -8.747 1 6 ? O LEU A 134 1 -ATOM 2273 C CB . LEU E 3 134 . 35.015 54.456 -6.923 1 6.52 ? CB LEU A 134 1 -ATOM 2274 C CG . LEU E 3 134 . 33.641 55.101 -7.002 1 6 ? CG LEU A 134 1 -ATOM 2275 C CD1 . LEU E 3 134 . 33.357 56.084 -5.916 1 6 ? CD1 LEU A 134 1 -ATOM 2276 C CD2 . LEU E 3 134 . 33.643 55.812 -8.335 1 8.39 ? CD2 LEU A 134 1 -ATOM 2277 N N . ALA E 3 135 . 36.988 52.081 -6.744 1 6 ? N ALA A 135 1 -ATOM 2278 C CA . ALA E 3 135 . 38.371 51.661 -6.713 1 7.49 ? CA ALA A 135 1 -ATOM 2279 C C . ALA E 3 135 . 38.695 50.369 -7.487 1 13.28 ? C ALA A 135 1 -ATOM 2280 O O . ALA E 3 135 . 39.851 50.177 -7.925 1 10.07 ? O ALA A 135 1 -ATOM 2281 C CB . ALA E 3 135 . 38.788 51.493 -5.287 1 8.22 ? CB ALA A 135 1 -ATOM 2282 N N . PHE E 3 136 . 37.733 49.463 -7.644 1 11.22 ? N PHE A 136 1 -ATOM 2283 C CA . PHE E 3 136 . 38.05 48.207 -8.336 1 12.27 ? CA PHE A 136 1 -ATOM 2284 C C . PHE E 3 136 . 37.51 48.069 -9.758 1 18.15 ? C PHE A 136 1 -ATOM 2285 O O . PHE E 3 136 . 38.24 47.615 -10.625 1 20.61 ? O PHE A 136 1 -ATOM 2286 C CB . PHE E 3 136 . 37.527 47.002 -7.554 1 15.98 ? CB PHE A 136 1 -ATOM 2287 C CG . PHE E 3 136 . 38.115 46.833 -6.169 1 9.7 ? CG PHE A 136 1 -ATOM 2288 C CD1 . PHE E 3 136 . 39.408 47.235 -5.89 1 6 ? CD1 PHE A 136 1 -ATOM 2289 C CD2 . PHE E 3 136 . 37.351 46.237 -5.17 1 8.62 ? CD2 PHE A 136 1 -ATOM 2290 C CE1 . PHE E 3 136 . 39.936 47.057 -4.674 1 10.48 ? CE1 PHE A 136 1 -ATOM 2291 C CE2 . PHE E 3 136 . 37.867 46.05 -3.94 1 15.19 ? CE2 PHE A 136 1 -ATOM 2292 C CZ . PHE E 3 136 . 39.17 46.463 -3.679 1 7.26 ? CZ PHE A 136 1 -ATOM 2293 N N . LEU E 3 137 . 36.246 48.412 -10.001 1 14.88 ? N LEU A 137 1 -ATOM 2294 C CA . LEU E 3 137 . 35.623 48.245 -11.33 1 14.02 ? CA LEU A 137 1 -ATOM 2295 C C . LEU E 3 137 . 36.005 49.277 -12.358 1 16.69 ? C LEU A 137 1 -ATOM 2296 O O . LEU E 3 137 . 36.425 50.377 -12.007 1 18.42 ? O LEU A 137 1 -ATOM 2297 C CB . LEU E 3 137 . 34.095 48.285 -11.246 1 13.92 ? CB LEU A 137 1 -ATOM 2298 C CG . LEU E 3 137 . 33.285 46.992 -11.118 1 18.52 ? CG LEU A 137 1 -ATOM 2299 C CD1 . LEU E 3 137 . 34.235 45.819 -11.204 1 13.9 ? CD1 LEU A 137 1 -ATOM 2300 C CD2 . LEU E 3 137 . 32.528 46.974 -9.862 1 10.79 ? CD2 LEU A 137 1 -ATOM 2301 N N . ASP E 3 138 . 35.892 48.909 -13.638 1 18.47 ? N ASP A 138 1 -ATOM 2302 C CA . ASP E 3 138 . 36.075 49.9 -14.701 1 20.43 ? CA ASP A 138 1 -ATOM 2303 C C . ASP E 3 138 . 34.683 50.375 -15.058 1 15.8 ? C ASP A 138 1 -ATOM 2304 O O . ASP E 3 138 . 33.692 49.779 -14.642 1 21.43 ? O ASP A 138 1 -ATOM 2305 C CB . ASP E 3 138 . 36.789 49.316 -15.979 1 24.22 ? CB ASP A 138 1 -ATOM 2306 C CG . ASP E 3 138 . 36.089 48.116 -16.621 1 26.66 ? CG ASP A 138 1 -ATOM 2307 O OD1 . ASP E 3 138 . 34.874 47.871 -16.389 1 28.12 ? OD1 ASP A 138 1 -ATOM 2308 O OD2 . ASP E 3 138 . 36.802 47.41 -17.38 1 19.3 ? OD2 ASP A 138 1 -ATOM 2309 N N . VAL E 3 139 . 34.597 51.415 -15.863 1 11.09 ? N VAL A 139 1 -ATOM 2310 C CA . VAL E 3 139 . 33.297 51.997 -16.168 1 10.6 ? CA VAL A 139 1 -ATOM 2311 C C . VAL E 3 139 . 32.211 50.99 -16.565 1 8.76 ? C VAL A 139 1 -ATOM 2312 O O . VAL E 3 139 . 31.141 50.991 -15.947 1 19.97 ? O VAL A 139 1 -ATOM 2313 C CB . VAL E 3 139 . 33.421 53.06 -17.306 1 23.65 ? CB VAL A 139 1 -ATOM 2314 C CG1 . VAL E 3 139 . 32.126 53.838 -17.415 1 27.54 ? CG1 VAL A 139 1 -ATOM 2315 C CG2 . VAL E 3 139 . 34.571 54.013 -17.013 1 27.6 ? CG2 VAL A 139 1 -ATOM 2316 N N . THR E 3 140 . 32.412 50.135 -17.554 1 6.9 ? N THR A 140 1 -ATOM 2317 C CA . THR E 3 140 . 31.315 49.225 -17.879 1 6 ? CA THR A 140 1 -ATOM 2318 C C . THR E 3 140 . 30.966 48.455 -16.624 1 6 ? C THR A 140 1 -ATOM 2319 O O . THR E 3 140 . 29.806 48.228 -16.34 1 11.3 ? O THR A 140 1 -ATOM 2320 C CB . THR E 3 140 . 31.727 48.261 -19.009 1 9.97 ? CB THR A 140 1 -ATOM 2321 O OG1 . THR E 3 140 . 32.537 48.964 -19.966 1 14.22 ? OG1 THR A 140 1 -ATOM 2322 C CG2 . THR E 3 140 . 30.481 47.773 -19.787 1 8.92 ? CG2 THR A 140 1 -ATOM 2323 N N . GLY E 3 141 . 31.974 48.094 -15.842 1 6 ? N GLY A 141 1 -ATOM 2324 C CA . GLY E 3 141 . 31.715 47.429 -14.582 1 6 ? CA GLY A 141 1 -ATOM 2325 C C . GLY E 3 141 . 30.776 48.28 -13.774 1 6 ? C GLY A 141 1 -ATOM 2326 O O . GLY E 3 141 . 29.593 47.947 -13.632 1 6 ? O GLY A 141 1 -ATOM 2327 N N . ARG E 3 142 . 31.269 49.41 -13.275 1 8.33 ? N ARG A 142 1 -ATOM 2328 C CA . ARG E 3 142 . 30.418 50.321 -12.491 1 8.67 ? CA ARG A 142 1 -ATOM 2329 C C . ARG E 3 142 . 29.06 50.64 -13.185 1 14.33 ? C ARG A 142 1 -ATOM 2330 O O . ARG E 3 142 . 28.063 50.771 -12.491 1 24.43 ? O ARG A 142 1 -ATOM 2331 C CB . ARG E 3 142 . 31.098 51.673 -12.239 1 14.77 ? CB ARG A 142 1 -ATOM 2332 C CG . ARG E 3 142 . 32.577 51.727 -11.785 1 15.47 ? CG ARG A 142 1 -ATOM 2333 C CD . ARG E 3 142 . 32.89 53.245 -11.747 1 12.12 ? CD ARG A 142 1 -ATOM 2334 N NE . ARG E 3 142 . 34.264 53.647 -12.052 1 17.85 ? NE ARG A 142 1 -ATOM 2335 C CZ . ARG E 3 142 . 34.586 54.785 -12.682 1 28.81 ? CZ ARG A 142 1 -ATOM 2336 N NH1 . ARG E 3 142 . 33.637 55.641 -13.081 1 17.92 ? NH1 ARG A 142 1 -ATOM 2337 N NH2 . ARG E 3 142 . 35.862 55.074 -12.932 1 30.01 ? NH2 ARG A 142 1 -ATOM 2338 N N . ILE E 3 143 . 28.963 50.798 -14.504 1 9.1 ? N ILE A 143 1 -ATOM 2339 C CA . ILE E 3 143 . 27.638 51.093 -15.077 1 13.32 ? CA ILE A 143 1 -ATOM 2340 C C . ILE E 3 143 . 26.683 49.885 -15.028 1 9.08 ? C ILE A 143 1 -ATOM 2341 O O . ILE E 3 143 . 25.474 50.048 -14.825 1 9.51 ? O ILE A 143 1 -ATOM 2342 C CB . ILE E 3 143 . 27.719 51.531 -16.546 1 7.25 ? CB ILE A 143 1 -ATOM 2343 C CG1 . ILE E 3 143 . 28.51 52.823 -16.666 1 11.11 ? CG1 ILE A 143 1 -ATOM 2344 C CG2 . ILE E 3 143 . 26.347 51.82 -17.057 1 6 ? CG2 ILE A 143 1 -ATOM 2345 C CD1 . ILE E 3 143 . 28.858 53.219 -18.07 1 9.93 ? CD1 ILE A 143 1 -ATOM 2346 N N . ALA E 3 144 . 27.199 48.677 -15.211 1 16 ? N ALA A 144 1 -ATOM 2347 C CA . ALA E 3 144 . 26.341 47.473 -15.131 1 18.2 ? CA ALA A 144 1 -ATOM 2348 C C . ALA E 3 144 . 25.727 47.342 -13.74 1 17.06 ? C ALA A 144 1 -ATOM 2349 O O . ALA E 3 144 . 24.539 47.038 -13.595 1 6.15 ? O ALA A 144 1 -ATOM 2350 C CB . ALA E 3 144 . 27.159 46.196 -15.427 1 6 ? CB ALA A 144 1 -ATOM 2351 N N . GLN E 3 145 . 26.591 47.54 -12.736 1 23.1 ? N GLN A 145 1 -ATOM 2352 C CA . GLN E 3 145 . 26.27 47.467 -11.307 1 18.67 ? CA GLN A 145 1 -ATOM 2353 C C . GLN E 3 145 . 25.226 48.538 -10.963 1 21.12 ? C GLN A 145 1 -ATOM 2354 O O . GLN E 3 145 . 24.215 48.214 -10.337 1 28.84 ? O GLN A 145 1 -ATOM 2355 C CB . GLN E 3 145 . 27.546 47.684 -10.501 1 21.31 ? CB GLN A 145 1 -ATOM 2356 C CG . GLN E 3 145 . 27.602 47.047 -9.123 1 33.02 ? CG GLN A 145 1 -ATOM 2357 C CD . GLN E 3 145 . 27.873 45.537 -9.172 1 45.71 ? CD GLN A 145 1 -ATOM 2358 O OE1 . GLN E 3 145 . 28.954 45.073 -9.599 1 34.24 ? OE1 GLN A 145 1 -ATOM 2359 N NE2 . GLN E 3 145 . 26.888 44.761 -8.726 1 43.32 ? NE2 GLN A 145 1 -ATOM 2360 N N . THR E 3 146 . 25.45 49.793 -11.37 1 14.14 ? N THR A 146 1 -ATOM 2361 C CA . THR E 3 146 . 24.469 50.865 -11.143 1 9.07 ? CA THR A 146 1 -ATOM 2362 C C . THR E 3 146 . 23.115 50.371 -11.656 1 8.49 ? C THR A 146 1 -ATOM 2363 O O . THR E 3 146 . 22.087 50.515 -10.993 1 7.65 ? O THR A 146 1 -ATOM 2364 C CB . THR E 3 146 . 24.77 52.174 -11.927 1 8.96 ? CB THR A 146 1 -ATOM 2365 O OG1 . THR E 3 146 . 26.026 52.756 -11.558 1 6 ? OG1 THR A 146 1 -ATOM 2366 C CG2 . THR E 3 146 . 23.716 53.151 -11.619 1 16.6 ? CG2 THR A 146 1 -ATOM 2367 N N . LEU E 3 147 . 23.125 49.787 -12.849 1 13.2 ? N LEU A 147 1 -ATOM 2368 C CA . LEU E 3 147 . 21.901 49.257 -13.455 1 17.02 ? CA LEU A 147 1 -ATOM 2369 C C . LEU E 3 147 . 21.29 48.048 -12.687 1 15.91 ? C LEU A 147 1 -ATOM 2370 O O . LEU E 3 147 . 20.046 47.9 -12.646 1 10.13 ? O LEU A 147 1 -ATOM 2371 C CB . LEU E 3 147 . 22.231 48.902 -14.895 1 13.49 ? CB LEU A 147 1 -ATOM 2372 C CG . LEU E 3 147 . 21.718 49.766 -16.043 1 12.52 ? CG LEU A 147 1 -ATOM 2373 C CD1 . LEU E 3 147 . 21.682 51.205 -15.746 1 13.58 ? CD1 LEU A 147 1 -ATOM 2374 C CD2 . LEU E 3 147 . 22.642 49.481 -17.183 1 16.72 ? CD2 LEU A 147 1 -ATOM 2375 N N . LEU E 3 148 . 22.136 47.188 -12.108 1 13.52 ? N LEU A 148 1 -ATOM 2376 C CA . LEU E 3 148 . 21.672 46.093 -11.237 1 12.77 ? CA LEU A 148 1 -ATOM 2377 C C . LEU E 3 148 . 20.957 46.716 -10.029 1 9.33 ? C LEU A 148 1 -ATOM 2378 O O . LEU E 3 148 . 19.821 46.363 -9.705 1 20.82 ? O LEU A 148 1 -ATOM 2379 C CB . LEU E 3 148 . 22.859 45.255 -10.757 1 11.31 ? CB LEU A 148 1 -ATOM 2380 C CG . LEU E 3 148 . 23.119 43.965 -11.554 1 16.51 ? CG LEU A 148 1 -ATOM 2381 C CD1 . LEU E 3 148 . 22.838 44.243 -13.038 1 18.44 ? CD1 LEU A 148 1 -ATOM 2382 C CD2 . LEU E 3 148 . 24.571 43.473 -11.311 1 6 ? CD2 LEU A 148 1 -ATOM 2383 N N . ASN E 3 149 . 21.613 47.675 -9.387 1 12.17 ? N ASN A 149 1 -ATOM 2384 C CA . ASN E 3 149 . 21.03 48.421 -8.256 1 15.27 ? CA ASN A 149 1 -ATOM 2385 C C . ASN E 3 149 . 19.686 49.181 -8.61 1 15.38 ? C ASN A 149 1 -ATOM 2386 O O . ASN E 3 149 . 18.649 48.909 -7.995 1 24.01 ? O ASN A 149 1 -ATOM 2387 C CB . ASN E 3 149 . 22.006 49.486 -7.725 1 20.01 ? CB ASN A 149 1 -ATOM 2388 C CG . ASN E 3 149 . 23.327 48.925 -7.208 1 31.03 ? CG ASN A 149 1 -ATOM 2389 O OD1 . ASN E 3 149 . 23.435 47.759 -6.833 1 28.47 ? OD1 ASN A 149 1 -ATOM 2390 N ND2 . ASN E 3 149 . 24.351 49.781 -7.18 1 21.92 ? ND2 ASN A 149 1 -ATOM 2391 N N . LEU E 3 150 . 19.669 50.091 -9.597 1 14.5 ? N LEU A 150 1 -ATOM 2392 C CA . LEU E 3 150 . 18.467 50.916 -9.836 1 16.03 ? CA LEU A 150 1 -ATOM 2393 C C . LEU E 3 150 . 17.331 50.046 -10.313 1 17.72 ? C LEU A 150 1 -ATOM 2394 O O . LEU E 3 150 . 16.128 50.367 -10.134 1 14.96 ? O LEU A 150 1 -ATOM 2395 C CB . LEU E 3 150 . 18.674 52.014 -10.919 1 13.33 ? CB LEU A 150 1 -ATOM 2396 C CG . LEU E 3 150 . 19.932 52.906 -10.985 1 21.26 ? CG LEU A 150 1 -ATOM 2397 C CD1 . LEU E 3 150 . 19.7 53.854 -12.196 1 9.1 ? CD1 LEU A 150 1 -ATOM 2398 C CD2 . LEU E 3 150 . 20.161 53.729 -9.728 1 22.84 ? CD2 LEU A 150 1 -ATOM 2399 N N . ALA E 3 151 . 17.713 48.954 -10.969 1 23.61 ? N ALA A 151 1 -ATOM 2400 C CA . ALA E 3 151 . 16.698 48.047 -11.455 1 28.38 ? CA ALA A 151 1 -ATOM 2401 C C . ALA E 3 151 . 15.988 47.598 -10.199 1 26.24 ? C ALA A 151 1 -ATOM 2402 O O . ALA E 3 151 . 14.784 47.459 -10.219 1 31.44 ? O ALA A 151 1 -ATOM 2403 C CB . ALA E 3 151 . 17.352 46.835 -12.232 1 14.51 ? CB ALA A 151 1 -ATOM 2404 N N . LYS E 3 152 . 16.765 47.445 -9.116 1 30.18 ? N LYS A 152 1 -ATOM 2405 C CA . LYS E 3 152 . 16.331 47.036 -7.767 1 30.07 ? CA LYS A 152 1 -ATOM 2406 C C . LYS E 3 152 . 15.688 48.124 -6.893 1 30.25 ? C LYS A 152 1 -ATOM 2407 O O . LYS E 3 152 . 15.044 47.825 -5.885 1 27.85 ? O LYS A 152 1 -ATOM 2408 C CB . LYS E 3 152 . 17.525 46.454 -6.989 1 24.86 ? CB LYS A 152 1 -ATOM 2409 C CG . LYS E 3 152 . 17.171 46.071 -5.542 1 44.06 ? CG LYS A 152 1 -ATOM 2410 C CD . LYS E 3 152 . 17.858 44.767 -5.062 1 51.19 ? CD LYS A 152 1 -ATOM 2411 C CE . LYS E 3 152 . 17.17 44.156 -3.808 1 43.95 ? CE LYS A 152 1 -ATOM 2412 N NZ . LYS E 3 152 . 17.643 42.742 -3.588 1 33.99 ? NZ LYS A 152 1 -ATOM 2413 N N . GLN E 3 153 . 15.851 49.388 -7.228 1 31.71 ? N GLN A 153 1 -ATOM 2414 C CA . GLN E 3 153 . 15.254 50.417 -6.382 1 32.74 ? CA GLN A 153 1 -ATOM 2415 C C . GLN E 3 153 . 13.736 50.301 -6.292 1 33.6 ? C GLN A 153 1 -ATOM 2416 O O . GLN E 3 153 . 13.156 49.477 -6.977 1 30.37 ? O GLN A 153 1 -ATOM 2417 C CB . GLN E 3 153 . 15.621 51.804 -6.912 1 35.66 ? CB GLN A 153 1 -ATOM 2418 C CG . GLN E 3 153 . 16.853 52.369 -6.243 1 31.76 ? CG GLN A 153 1 -ATOM 2419 C CD . GLN E 3 153 . 16.565 53.664 -5.498 1 24.89 ? CD GLN A 153 1 -ATOM 2420 O OE1 . GLN E 3 153 . 15.467 54.219 -5.549 1 26.83 ? OE1 GLN A 153 1 -ATOM 2421 N NE2 . GLN E 3 153 . 17.564 54.154 -4.81 1 28.09 ? NE2 GLN A 153 1 -ATOM 2422 N N . PRO E 3 154 . 13.095 51.092 -5.396 1 33.92 ? N PRO A 154 1 -ATOM 2423 C CA . PRO E 3 154 . 11.671 51.387 -5.229 1 29.65 ? CA PRO A 154 1 -ATOM 2424 C C . PRO E 3 154 . 11.008 52.117 -6.387 1 29.84 ? C PRO A 154 1 -ATOM 2425 O O . PRO E 3 154 . 9.803 52.012 -6.542 1 33.82 ? O PRO A 154 1 -ATOM 2426 C CB . PRO E 3 154 . 11.627 52.17 -3.918 1 29.58 ? CB PRO A 154 1 -ATOM 2427 C CG . PRO E 3 154 . 12.696 51.506 -3.145 1 30.55 ? CG PRO A 154 1 -ATOM 2428 C CD . PRO E 3 154 . 13.79 51.602 -4.181 1 32.15 ? CD PRO A 154 1 -ATOM 2429 N N . ASP E 3 155 . 11.743 52.894 -7.172 1 36.54 ? N ASP A 155 1 -ATOM 2430 C CA . ASP E 3 155 . 11.108 53.607 -8.278 1 39.41 ? CA ASP A 155 1 -ATOM 2431 C C . ASP E 3 155 . 11.312 52.905 -9.594 1 44.65 ? C ASP A 155 1 -ATOM 2432 O O . ASP E 3 155 . 11.794 53.532 -10.532 1 55 ? O ASP A 155 1 -ATOM 2433 C CB . ASP E 3 155 . 11.651 55.057 -8.394 1 35.23 ? CB ASP A 155 1 -ATOM 2434 C CG . ASP E 3 155 . 13.199 55.157 -8.44 1 45.04 ? CG ASP A 155 1 -ATOM 2435 O OD1 . ASP E 3 155 . 13.799 55.325 -9.534 1 49.19 ? OD1 ASP A 155 1 -ATOM 2436 O OD2 . ASP E 3 155 . 13.836 55.108 -7.363 1 54.84 ? OD2 ASP A 155 1 -ATOM 2437 N N . ALA E 3 156 . 10.932 51.633 -9.698 1 41.2 ? N ALA A 156 1 -ATOM 2438 C CA . ALA E 3 156 . 11.144 50.906 -10.952 1 33.19 ? CA ALA A 156 1 -ATOM 2439 C C . ALA E 3 156 . 9.897 50.144 -11.417 1 36.82 ? C ALA A 156 1 -ATOM 2440 O O . ALA E 3 156 . 9.431 49.203 -10.75 1 32.92 ? O ALA A 156 1 -ATOM 2441 C CB . ALA E 3 156 . 12.297 49.952 -10.765 1 33.34 ? CB ALA A 156 1 -ATOM 2442 N N . MET E 3 157 . 9.358 50.572 -12.569 1 41.66 ? N MET A 157 1 -ATOM 2443 C CA . MET E 3 157 . 8.133 50.009 -13.17 1 40.32 ? CA MET A 157 1 -ATOM 2444 C C . MET E 3 157 . 8.401 48.578 -13.624 1 39.27 ? C MET A 157 1 -ATOM 2445 O O . MET E 3 157 . 9.527 48.197 -13.989 1 32.56 ? O MET A 157 1 -ATOM 2446 C CB . MET E 3 157 . 7.686 50.841 -14.392 1 42.76 ? CB MET A 157 1 -ATOM 2447 C CG . MET E 3 157 . 7.654 52.369 -14.203 1 49.14 ? CG MET A 157 1 -ATOM 2448 S SD . MET E 3 157 . 9.253 53.227 -13.703 1 55 ? SD MET A 157 1 -ATOM 2449 C CE . MET E 3 157 . 10.081 53.57 -15.281 1 48.56 ? CE MET A 157 1 -ATOM 2450 N N . THR E 3 158 . 7.368 47.763 -13.602 1 39.62 ? N THR A 158 1 -ATOM 2451 C CA . THR E 3 158 . 7.58 46.393 -14.006 1 39.36 ? CA THR A 158 1 -ATOM 2452 C C . THR E 3 158 . 7.528 46.378 -15.523 1 40.49 ? C THR A 158 1 -ATOM 2453 O O . THR E 3 158 . 6.862 47.235 -16.122 1 36.16 ? O THR A 158 1 -ATOM 2454 C CB . THR E 3 158 . 6.476 45.49 -13.373 1 44.49 ? CB THR A 158 1 -ATOM 2455 O OG1 . THR E 3 158 . 6.953 44.144 -13.317 1 51.36 ? OG1 THR A 158 1 -ATOM 2456 C CG2 . THR E 3 158 . 5.173 45.534 -14.194 1 41.81 ? CG2 THR A 158 1 -ATOM 2457 N N . HIS E 3 159 . 8.253 45.437 -16.127 1 42.96 ? N HIS A 159 1 -ATOM 2458 C CA . HIS E 3 159 . 8.304 45.249 -17.589 1 48.59 ? CA HIS A 159 1 -ATOM 2459 C C . HIS E 3 159 . 8.278 43.738 -17.818 1 49.13 ? C HIS A 159 1 -ATOM 2460 O O . HIS E 3 159 . 8.929 43.018 -17.059 1 50.14 ? O HIS A 159 1 -ATOM 2461 C CB . HIS E 3 159 . 9.61 45.841 -18.175 1 46.54 ? CB HIS A 159 1 -ATOM 2462 C CG . HIS E 3 159 . 9.583 46.039 -19.665 1 46.42 ? CG HIS A 159 1 -ATOM 2463 N ND1 . HIS E 3 159 . 9.799 45.015 -20.563 1 46.94 ? ND1 HIS A 159 1 -ATOM 2464 C CD2 . HIS E 3 159 . 9.355 47.15 -20.409 1 48.3 ? CD2 HIS A 159 1 -ATOM 2465 C CE1 . HIS E 3 159 . 9.704 45.486 -21.797 1 46.22 ? CE1 HIS A 159 1 -ATOM 2466 N NE2 . HIS E 3 159 . 9.436 46.778 -21.731 1 43.6 ? NE2 HIS A 159 1 -ATOM 2467 N N . PRO E 3 160 . 7.556 43.235 -18.86 1 53.19 ? N PRO A 160 1 -ATOM 2468 C CA . PRO E 3 160 . 7.371 41.79 -19.096 1 50.53 ? CA PRO A 160 1 -ATOM 2469 C C . PRO E 3 160 . 8.668 41.047 -18.814 1 51.69 ? C PRO A 160 1 -ATOM 2470 O O . PRO E 3 160 . 8.765 40.152 -17.962 1 51.73 ? O PRO A 160 1 -ATOM 2471 C CB . PRO E 3 160 . 6.896 41.746 -20.546 1 44.13 ? CB PRO A 160 1 -ATOM 2472 C CG . PRO E 3 160 . 7.443 43.047 -21.118 1 48.96 ? CG PRO A 160 1 -ATOM 2473 C CD . PRO E 3 160 . 6.998 43.964 -20.022 1 53.47 ? CD PRO A 160 1 -ATOM 2474 N N . ASP E 3 161 . 9.671 41.47 -19.554 1 48.49 ? N ASP A 161 1 -ATOM 2475 C CA . ASP E 3 161 . 11.005 40.991 -19.361 1 45.43 ? CA ASP A 161 1 -ATOM 2476 C C . ASP E 3 161 . 11.787 42.201 -18.837 1 42.13 ? C ASP A 161 1 -ATOM 2477 O O . ASP E 3 161 . 11.593 43.309 -19.356 1 48.74 ? O ASP A 161 1 -ATOM 2478 C CB . ASP E 3 161 . 11.536 40.472 -20.705 1 48.5 ? CB ASP A 161 1 -ATOM 2479 C CG . ASP E 3 161 . 11.129 41.336 -21.885 1 48.94 ? CG ASP A 161 1 -ATOM 2480 O OD1 . ASP E 3 161 . 12.014 41.98 -22.472 1 42.36 ? OD1 ASP A 161 1 -ATOM 2481 O OD2 . ASP E 3 161 . 9.929 41.36 -22.224 1 41.52 ? OD2 ASP A 161 1 -ATOM 2482 N N . GLY E 3 162 . 12.581 41.987 -17.778 1 32.44 ? N GLY A 162 1 -ATOM 2483 C CA . GLY E 3 162 . 13.418 43 -17.144 1 21.4 ? CA GLY A 162 1 -ATOM 2484 C C . GLY E 3 162 . 12.679 44.103 -16.395 1 25.06 ? C GLY A 162 1 -ATOM 2485 O O . GLY E 3 162 . 11.441 44.187 -16.35 1 15.57 ? O GLY A 162 1 -ATOM 2486 N N . MET E 3 163 . 13.472 44.972 -15.776 1 31.59 ? N MET A 163 1 -ATOM 2487 C CA . MET E 3 163 . 12.937 46.121 -15.049 1 34.03 ? CA MET A 163 1 -ATOM 2488 C C . MET E 3 163 . 13.191 47.389 -15.817 1 35.97 ? C MET A 163 1 -ATOM 2489 O O . MET E 3 163 . 14.298 47.638 -16.326 1 40.8 ? O MET A 163 1 -ATOM 2490 C CB . MET E 3 163 . 13.581 46.312 -13.682 1 36.34 ? CB MET A 163 1 -ATOM 2491 C CG . MET E 3 163 . 12.606 46.17 -12.539 1 42.75 ? CG MET A 163 1 -ATOM 2492 S SD . MET E 3 163 . 11.898 44.511 -12.485 1 44.85 ? SD MET A 163 1 -ATOM 2493 C CE . MET E 3 163 . 10.341 44.723 -13.38 1 44.59 ? CE MET A 163 1 -ATOM 2494 N N . GLN E 3 164 . 12.135 48.191 -15.877 1 32.34 ? N GLN A 164 1 -ATOM 2495 C CA . GLN E 3 164 . 12.163 49.466 -16.548 1 30 ? CA GLN A 164 1 -ATOM 2496 C C . GLN E 3 164 . 12.568 50.514 -15.541 1 30.25 ? C GLN A 164 1 -ATOM 2497 O O . GLN E 3 164 . 11.862 50.836 -14.598 1 27.76 ? O GLN A 164 1 -ATOM 2498 C CB . GLN E 3 164 . 10.777 49.784 -17.144 1 26.97 ? CB GLN A 164 1 -ATOM 2499 C CG . GLN E 3 164 . 10.654 51.089 -17.914 1 24.46 ? CG GLN A 164 1 -ATOM 2500 C CD . GLN E 3 164 . 9.316 51.223 -18.661 1 26.88 ? CD GLN A 164 1 -ATOM 2501 O OE1 . GLN E 3 164 . 9.285 51.679 -19.789 1 36.11 ? OE1 GLN A 164 1 -ATOM 2502 N NE2 . GLN E 3 164 . 8.218 50.827 -18.035 1 26.58 ? NE2 GLN A 164 1 -ATOM 2503 N N . ILE E 3 165 . 13.817 50.891 -15.707 1 33.93 ? N ILE A 165 1 -ATOM 2504 C CA . ILE E 3 165 . 14.46 51.984 -15.027 1 30.01 ? CA ILE A 165 1 -ATOM 2505 C C . ILE E 3 165 . 14.209 53.253 -15.814 1 26.17 ? C ILE A 165 1 -ATOM 2506 O O . ILE E 3 165 . 14.069 53.159 -17.027 1 30.02 ? O ILE A 165 1 -ATOM 2507 C CB . ILE E 3 165 . 16.008 51.637 -14.897 1 16.21 ? CB ILE A 165 1 -ATOM 2508 C CG1 . ILE E 3 165 . 16.215 50.655 -13.739 1 17.72 ? CG1 ILE A 165 1 -ATOM 2509 C CG2 . ILE E 3 165 . 16.807 52.84 -14.69 1 25.39 ? CG2 ILE A 165 1 -ATOM 2510 C CD1 . ILE E 3 165 . 14.924 50.331 -12.907 1 23.56 ? CD1 ILE A 165 1 -ATOM 2511 N N . LYS E 3 166 . 14.064 54.407 -15.2 1 25.27 ? N LYS A 166 1 -ATOM 2512 C CA . LYS E 3 166 . 13.856 55.574 -16.03 1 25.89 ? CA LYS A 166 1 -ATOM 2513 C C . LYS E 3 166 . 14.99 56.446 -15.713 1 25.73 ? C LYS A 166 1 -ATOM 2514 O O . LYS E 3 166 . 15.13 56.806 -14.551 1 26.84 ? O LYS A 166 1 -ATOM 2515 C CB . LYS E 3 166 . 12.573 56.348 -15.697 1 34.33 ? CB LYS A 166 1 -ATOM 2516 C CG . LYS E 3 166 . 12.441 57.678 -16.513 1 43.24 ? CG LYS A 166 1 -ATOM 2517 C CD . LYS E 3 166 . 11.118 58.451 -16.277 1 52.65 ? CD LYS A 166 1 -ATOM 2518 C CE . LYS E 3 166 . 10.915 59.594 -17.296 1 55 ? CE LYS A 166 1 -ATOM 2519 N NZ . LYS E 3 166 . 9.512 60.135 -17.322 1 51.57 ? NZ LYS A 166 1 -ATOM 2520 N N . ILE E 3 167 . 15.814 56.785 -16.694 1 20.18 ? N ILE A 167 1 -ATOM 2521 C CA . ILE E 3 167 . 16.939 57.579 -16.312 1 18.34 ? CA ILE A 167 1 -ATOM 2522 C C . ILE E 3 167 . 17.691 58.175 -17.487 1 20.7 ? C ILE A 167 1 -ATOM 2523 O O . ILE E 3 167 . 17.674 57.689 -18.616 1 17.89 ? O ILE A 167 1 -ATOM 2524 C CB . ILE E 3 167 . 17.896 56.712 -15.454 1 14.35 ? CB ILE A 167 1 -ATOM 2525 C CG1 . ILE E 3 167 . 18.695 57.618 -14.517 1 16.17 ? CG1 ILE A 167 1 -ATOM 2526 C CG2 . ILE E 3 167 . 18.846 55.904 -16.37 1 22.46 ? CG2 ILE A 167 1 -ATOM 2527 C CD1 . ILE E 3 167 . 19.575 56.889 -13.562 1 13.78 ? CD1 ILE A 167 1 -ATOM 2528 N N . THR E 3 168 . 18.331 59.265 -17.107 1 18.13 ? N THR A 168 1 -ATOM 2529 C CA . THR E 3 168 . 19.185 60.155 -17.833 1 13.26 ? CA THR A 168 1 -ATOM 2530 C C . THR E 3 168 . 20.614 59.707 -17.835 1 14.87 ? C THR A 168 1 -ATOM 2531 O O . THR E 3 168 . 21.246 59.703 -16.796 1 23.81 ? O THR A 168 1 -ATOM 2532 C CB . THR E 3 168 . 19.086 61.54 -17.203 1 23.16 ? CB THR A 168 1 -ATOM 2533 O OG1 . THR E 3 168 . 17.949 62.214 -17.762 1 38.01 ? OG1 THR A 168 1 -ATOM 2534 C CG2 . THR E 3 168 . 20.348 62.314 -17.392 1 20.68 ? CG2 THR A 168 1 -ATOM 2535 N N . ARG E 3 169 . 21.141 59.389 -19.008 1 21.98 ? N ARG A 169 1 -ATOM 2536 C CA . ARG E 3 169 . 22.54 59.005 -19.14 1 18.04 ? CA ARG A 169 1 -ATOM 2537 C C . ARG E 3 169 . 23.434 60.011 -18.443 1 16.36 ? C ARG A 169 1 -ATOM 2538 O O . ARG E 3 169 . 24.587 59.706 -18.117 1 14.61 ? O ARG A 169 1 -ATOM 2539 C CB . ARG E 3 169 . 23.004 58.962 -20.595 1 8.74 ? CB ARG A 169 1 -ATOM 2540 C CG . ARG E 3 169 . 22.433 57.919 -21.479 1 6 ? CG ARG A 169 1 -ATOM 2541 C CD . ARG E 3 169 . 22.715 58.307 -22.951 1 6 ? CD ARG A 169 1 -ATOM 2542 N NE . ARG E 3 169 . 21.892 57.468 -23.816 1 7.77 ? NE ARG A 169 1 -ATOM 2543 C CZ . ARG E 3 169 . 20.588 57.338 -23.642 1 6 ? CZ ARG A 169 1 -ATOM 2544 N NH1 . ARG E 3 169 . 20.031 58.007 -22.661 1 6 ? NH1 ARG A 169 1 -ATOM 2545 N NH2 . ARG E 3 169 . 19.859 56.504 -24.385 1 6 ? NH2 ARG A 169 1 -ATOM 2546 N N . GLN E 3 170 . 22.95 61.232 -18.271 1 18.66 ? N GLN A 170 1 -ATOM 2547 C CA . GLN E 3 170 . 23.787 62.216 -17.617 1 19.32 ? CA GLN A 170 1 -ATOM 2548 C C . GLN E 3 170 . 23.887 61.825 -16.17 1 16.04 ? C GLN A 170 1 -ATOM 2549 O O . GLN E 3 170 . 24.968 61.869 -15.605 1 7.96 ? O GLN A 170 1 -ATOM 2550 C CB . GLN E 3 170 . 23.174 63.605 -17.785 1 17.52 ? CB GLN A 170 1 -ATOM 2551 C CG . GLN E 3 170 . 24.185 64.624 -18.259 1 26.55 ? CG GLN A 170 1 -ATOM 2552 C CD . GLN E 3 170 . 23.535 65.75 -19.049 1 26.12 ? CD GLN A 170 1 -ATOM 2553 O OE1 . GLN E 3 170 . 24.015 66.129 -20.12 1 36.57 ? OE1 GLN A 170 1 -ATOM 2554 N NE2 . GLN E 3 170 . 22.432 66.28 -18.539 1 26.93 ? NE2 GLN A 170 1 -ATOM 2555 N N . GLU E 3 171 . 22.761 61.372 -15.622 1 7.44 ? N GLU A 171 1 -ATOM 2556 C CA . GLU E 3 171 . 22.693 60.893 -14.221 1 18.12 ? CA GLU A 171 1 -ATOM 2557 C C . GLU E 3 171 . 23.642 59.718 -13.941 1 12.67 ? C GLU A 171 1 -ATOM 2558 O O . GLU E 3 171 . 24.474 59.795 -13.012 1 13.4 ? O GLU A 171 1 -ATOM 2559 C CB . GLU E 3 171 . 21.271 60.455 -13.865 1 20.27 ? CB GLU A 171 1 -ATOM 2560 C CG . GLU E 3 171 . 20.401 61.583 -13.325 1 23.57 ? CG GLU A 171 1 -ATOM 2561 C CD . GLU E 3 171 . 19.83 61.251 -11.946 1 26.74 ? CD GLU A 171 1 -ATOM 2562 O OE1 . GLU E 3 171 . 20.507 61.484 -10.91 1 13.87 ? OE1 GLU A 171 1 -ATOM 2563 O OE2 . GLU E 3 171 . 18.688 60.746 -11.92 1 18.2 ? OE2 GLU A 171 1 -ATOM 2564 N N . ILE E 3 172 . 23.545 58.663 -14.761 1 12.53 ? N ILE A 172 1 -ATOM 2565 C CA . ILE E 3 172 . 24.439 57.511 -14.631 1 8.09 ? CA ILE A 172 1 -ATOM 2566 C C . ILE E 3 172 . 25.876 58.025 -14.643 1 6.83 ? C ILE A 172 1 -ATOM 2567 O O . ILE E 3 172 . 26.688 57.567 -13.846 1 12.67 ? O ILE A 172 1 -ATOM 2568 C CB . ILE E 3 172 . 24.195 56.509 -15.807 1 10.79 ? CB ILE A 172 1 -ATOM 2569 C CG1 . ILE E 3 172 . 22.734 56.026 -15.754 1 7.15 ? CG1 ILE A 172 1 -ATOM 2570 C CG2 . ILE E 3 172 . 25.138 55.344 -15.714 1 9.56 ? CG2 ILE A 172 1 -ATOM 2571 C CD1 . ILE E 3 172 . 22.29 55.16 -16.904 1 13.88 ? CD1 ILE A 172 1 -ATOM 2572 N N . GLY E 3 173 . 26.196 58.987 -15.51 1 6 ? N GLY A 173 1 -ATOM 2573 C CA . GLY E 3 173 . 27.541 59.524 -15.515 1 10.97 ? CA GLY A 173 1 -ATOM 2574 C C . GLY E 3 173 . 27.888 60.109 -14.136 1 19.7 ? C GLY A 173 1 -ATOM 2575 O O . GLY E 3 173 . 29.047 60.044 -13.711 1 32.24 ? O GLY A 173 1 -ATOM 2576 N N . GLN E 3 174 . 26.907 60.666 -13.418 1 22.34 ? N GLN A 174 1 -ATOM 2577 C CA . GLN E 3 174 . 27.147 61.287 -12.097 1 21.92 ? CA GLN A 174 1 -ATOM 2578 C C . GLN E 3 174 . 27.317 60.271 -10.966 1 15.93 ? C GLN A 174 1 -ATOM 2579 O O . GLN E 3 174 . 28.267 60.352 -10.178 1 14.99 ? O GLN A 174 1 -ATOM 2580 C CB . GLN E 3 174 . 25.989 62.236 -11.786 1 24.14 ? CB GLN A 174 1 -ATOM 2581 C CG . GLN E 3 174 . 26.065 63.553 -12.562 1 13.84 ? CG GLN A 174 1 -ATOM 2582 C CD . GLN E 3 174 . 24.789 64.325 -12.5 1 15.12 ? CD GLN A 174 1 -ATOM 2583 O OE1 . GLN E 3 174 . 24.589 65.205 -13.309 1 15.5 ? OE1 GLN A 174 1 -ATOM 2584 N NE2 . GLN E 3 174 . 23.899 63.993 -11.546 1 15 ? NE2 GLN A 174 1 -ATOM 2585 N N . ILE E 3 175 . 26.35 59.371 -10.883 1 6 ? N ILE A 175 1 -ATOM 2586 C CA . ILE E 3 175 . 26.363 58.226 -10.007 1 7.48 ? CA ILE A 175 1 -ATOM 2587 C C . ILE E 3 175 . 27.693 57.493 -10.048 1 9.42 ? C ILE A 175 1 -ATOM 2588 O O . ILE E 3 175 . 28.284 57.182 -9.018 1 12.89 ? O ILE A 175 1 -ATOM 2589 C CB . ILE E 3 175 . 25.309 57.227 -10.428 1 6 ? CB ILE A 175 1 -ATOM 2590 C CG1 . ILE E 3 175 . 23.966 57.855 -10.167 1 6 ? CG1 ILE A 175 1 -ATOM 2591 C CG2 . ILE E 3 175 . 25.572 55.894 -9.797 1 6 ? CG2 ILE A 175 1 -ATOM 2592 C CD1 . ILE E 3 175 . 22.901 56.851 -10.203 1 6 ? CD1 ILE A 175 1 -ATOM 2593 N N . VAL E 3 176 . 28.158 57.244 -11.274 1 12.72 ? N VAL A 176 1 -ATOM 2594 C CA . VAL E 3 176 . 29.333 56.405 -11.608 1 6 ? CA VAL A 176 1 -ATOM 2595 C C . VAL E 3 176 . 30.667 57.046 -11.707 1 7.4 ? C VAL A 176 1 -ATOM 2596 O O . VAL E 3 176 . 31.679 56.356 -11.648 1 6.81 ? O VAL A 176 1 -ATOM 2597 C CB . VAL E 3 176 . 29.042 55.674 -12.925 1 10.22 ? CB VAL A 176 1 -ATOM 2598 C CG1 . VAL E 3 176 . 30.227 55.831 -13.922 1 6.14 ? CG1 VAL A 176 1 -ATOM 2599 C CG2 . VAL E 3 176 . 28.682 54.23 -12.573 1 6 ? CG2 VAL A 176 1 -ATOM 2600 N N . GLY E 3 177 . 30.711 58.337 -11.921 1 8.35 ? N GLY A 177 1 -ATOM 2601 C CA . GLY E 3 177 . 32.028 58.929 -12.011 1 11.15 ? CA GLY A 177 1 -ATOM 2602 C C . GLY E 3 177 . 32.599 58.9 -13.408 1 6.33 ? C GLY A 177 1 -ATOM 2603 O O . GLY E 3 177 . 33.79 58.76 -13.603 1 7.01 ? O GLY A 177 1 -ATOM 2604 N N . CYS E 3 178 . 31.772 59.02 -14.412 1 8.26 ? N CYS A 178 1 -ATOM 2605 C CA . CYS E 3 178 . 32.358 59.093 -15.751 1 15.38 ? CA CYS A 178 1 -ATOM 2606 C C . CYS E 3 178 . 31.576 60.203 -16.464 1 12.9 ? C CYS A 178 1 -ATOM 2607 O O . CYS E 3 178 . 30.608 60.673 -15.9 1 6 ? O CYS A 178 1 -ATOM 2608 C CB . CYS E 3 178 . 32.236 57.715 -16.523 1 6 ? CB CYS A 178 1 -ATOM 2609 S SG . CYS E 3 178 . 30.65 56.957 -16.996 1 19.1 ? SG CYS A 178 1 -ATOM 2610 N N . SER E 3 179 . 32.003 60.628 -17.648 1 8 ? N SER A 179 1 -ATOM 2611 C CA . SER E 3 179 . 31.352 61.671 -18.396 1 6 ? CA SER A 179 1 -ATOM 2612 C C . SER E 3 179 . 30.185 61.112 -19.151 1 6.6 ? C SER A 179 1 -ATOM 2613 O O . SER E 3 179 . 30.175 59.918 -19.426 1 17.73 ? O SER A 179 1 -ATOM 2614 C CB . SER E 3 179 . 32.303 62.264 -19.39 1 18.18 ? CB SER A 179 1 -ATOM 2615 O OG . SER E 3 179 . 32.516 61.277 -20.386 1 23.24 ? OG SER A 179 1 -ATOM 2616 N N . ARG E 3 180 . 29.269 61.998 -19.557 1 13.27 ? N ARG A 180 1 -ATOM 2617 C CA . ARG E 3 180 . 28.047 61.669 -20.303 1 15.09 ? CA ARG A 180 1 -ATOM 2618 C C . ARG E 3 180 . 28.262 60.753 -21.518 1 19.25 ? C ARG A 180 1 -ATOM 2619 O O . ARG E 3 180 . 27.488 59.826 -21.723 1 16.65 ? O ARG A 180 1 -ATOM 2620 C CB . ARG E 3 180 . 27.356 62.934 -20.844 1 19.5 ? CB ARG A 180 1 -ATOM 2621 C CG . ARG E 3 180 . 25.945 62.634 -21.47 1 32.19 ? CG ARG A 180 1 -ATOM 2622 C CD . ARG E 3 180 . 25.124 63.771 -22.233 1 14.42 ? CD ARG A 180 1 -ATOM 2623 N NE . ARG E 3 180 . 25.696 64.147 -23.519 1 15.89 ? NE ARG A 180 1 -ATOM 2624 C CZ . ARG E 3 180 . 26.712 64.998 -23.669 1 21.82 ? CZ ARG A 180 1 -ATOM 2625 N NH1 . ARG E 3 180 . 27.274 65.576 -22.605 1 21.19 ? NH1 ARG A 180 1 -ATOM 2626 N NH2 . ARG E 3 180 . 27.198 65.242 -24.891 1 11.64 ? NH2 ARG A 180 1 -ATOM 2627 N N . GLU E 3 181 . 29.302 61.006 -22.316 1 12.92 ? N GLU A 181 1 -ATOM 2628 C CA . GLU E 3 181 . 29.468 60.245 -23.554 1 19.53 ? CA GLU A 181 1 -ATOM 2629 C C . GLU E 3 181 . 29.836 58.822 -23.324 1 20.2 ? C GLU A 181 1 -ATOM 2630 O O . GLU E 3 181 . 29.337 57.94 -24.058 1 15.29 ? O GLU A 181 1 -ATOM 2631 C CB . GLU E 3 181 . 30.547 60.829 -24.466 1 7.71 ? CB GLU A 181 1 -ATOM 2632 C CG . GLU E 3 181 . 30.299 62.225 -24.954 1 19.11 ? CG GLU A 181 1 -ATOM 2633 C CD . GLU E 3 181 . 30.716 63.312 -23.973 1 19.51 ? CD GLU A 181 1 -ATOM 2634 O OE1 . GLU E 3 181 . 31.178 63.065 -22.842 1 18.05 ? OE1 GLU A 181 1 -ATOM 2635 O OE2 . GLU E 3 181 . 30.564 64.468 -24.373 1 15.9 ? OE2 GLU A 181 1 -ATOM 2636 N N . THR E 3 182 . 30.745 58.608 -22.368 1 16.75 ? N THR A 182 1 -ATOM 2637 C CA . THR E 3 182 . 31.155 57.277 -22.011 1 11.14 ? CA THR A 182 1 -ATOM 2638 C C . THR E 3 182 . 29.892 56.47 -21.708 1 6.71 ? C THR A 182 1 -ATOM 2639 O O . THR E 3 182 . 29.692 55.371 -22.213 1 17.8 ? O THR A 182 1 -ATOM 2640 C CB . THR E 3 182 . 32.061 57.319 -20.783 1 20.51 ? CB THR A 182 1 -ATOM 2641 O OG1 . THR E 3 182 . 33.305 57.9 -21.163 1 16.04 ? OG1 THR A 182 1 -ATOM 2642 C CG2 . THR E 3 182 . 32.362 55.907 -20.251 1 20.78 ? CG2 THR A 182 1 -ATOM 2643 N N . VAL E 3 183 . 28.99 56.996 -20.908 1 8.47 ? N VAL A 183 1 -ATOM 2644 C CA . VAL E 3 183 . 27.783 56.212 -20.644 1 8.53 ? CA VAL A 183 1 -ATOM 2645 C C . VAL E 3 183 . 27.047 55.836 -21.945 1 12.75 ? C VAL A 183 1 -ATOM 2646 O O . VAL E 3 183 . 26.71 54.681 -22.146 1 24.82 ? O VAL A 183 1 -ATOM 2647 C CB . VAL E 3 183 . 26.863 57.027 -19.717 1 16.54 ? CB VAL A 183 1 -ATOM 2648 C CG1 . VAL E 3 183 . 25.521 56.35 -19.529 1 9.01 ? CG1 VAL A 183 1 -ATOM 2649 C CG2 . VAL E 3 183 . 27.594 57.204 -18.384 1 12.77 ? CG2 VAL A 183 1 -ATOM 2650 N N . GLY E 3 184 . 26.854 56.8 -22.84 1 10.94 ? N GLY A 184 1 -ATOM 2651 C CA . GLY E 3 184 . 26.093 56.595 -24.06 1 12.64 ? CA GLY A 184 1 -ATOM 2652 C C . GLY E 3 184 . 26.602 55.435 -24.863 1 15.65 ? C GLY A 184 1 -ATOM 2653 O O . GLY E 3 184 . 25.821 54.604 -25.353 1 21.22 ? O GLY A 184 1 -ATOM 2654 N N . ARG E 3 185 . 27.924 55.399 -24.981 1 18.79 ? N ARG A 185 1 -ATOM 2655 C CA . ARG E 3 185 . 28.606 54.355 -25.706 1 20.58 ? CA ARG A 185 1 -ATOM 2656 C C . ARG E 3 185 . 28.425 53.024 -25.095 1 20.32 ? C ARG A 185 1 -ATOM 2657 O O . ARG E 3 185 . 28.023 52.119 -25.791 1 24.49 ? O ARG A 185 1 -ATOM 2658 C CB . ARG E 3 185 . 30.093 54.642 -25.786 1 26.61 ? CB ARG A 185 1 -ATOM 2659 C CG . ARG E 3 185 . 30.39 55.638 -26.883 1 30.04 ? CG ARG A 185 1 -ATOM 2660 C CD . ARG E 3 185 . 31.542 56.448 -26.507 1 31.45 ? CD ARG A 185 1 -ATOM 2661 N NE . ARG E 3 185 . 31.848 57.444 -27.51 1 36.34 ? NE ARG A 185 1 -ATOM 2662 C CZ . ARG E 3 185 . 32.635 58.474 -27.234 1 36.77 ? CZ ARG A 185 1 -ATOM 2663 N NH1 . ARG E 3 185 . 32.902 59.354 -28.179 1 38.7 ? NH1 ARG A 185 1 -ATOM 2664 N NH2 . ARG E 3 185 . 33.123 58.633 -25.998 1 33.17 ? NH2 ARG A 185 1 -ATOM 2665 N N . ILE E 3 186 . 28.725 52.916 -23.8 1 15.33 ? N ILE A 186 1 -ATOM 2666 C CA . ILE E 3 186 . 28.659 51.645 -23.09 1 10.88 ? CA ILE A 186 1 -ATOM 2667 C C . ILE E 3 186 . 27.267 51.119 -23.198 1 7.58 ? C ILE A 186 1 -ATOM 2668 O O . ILE E 3 186 . 27.046 49.959 -23.476 1 11.08 ? O ILE A 186 1 -ATOM 2669 C CB . ILE E 3 186 . 28.965 51.761 -21.573 1 16.96 ? CB ILE A 186 1 -ATOM 2670 C CG1 . ILE E 3 186 . 30.354 52.376 -21.298 1 14.97 ? CG1 ILE A 186 1 -ATOM 2671 C CG2 . ILE E 3 186 . 28.878 50.371 -20.991 1 14.06 ? CG2 ILE A 186 1 -ATOM 2672 C CD1 . ILE E 3 186 . 31.581 51.511 -21.684 1 25.24 ? CD1 ILE A 186 1 -ATOM 2673 N N . LEU E 3 187 . 26.318 52.007 -22.979 1 8.42 ? N LEU A 187 1 -ATOM 2674 C CA . LEU E 3 187 . 24.919 51.654 -23.011 1 11.91 ? CA LEU A 187 1 -ATOM 2675 C C . LEU E 3 187 . 24.584 51.006 -24.336 1 16.01 ? C LEU A 187 1 -ATOM 2676 O O . LEU E 3 187 . 23.778 50.071 -24.383 1 19.51 ? O LEU A 187 1 -ATOM 2677 C CB . LEU E 3 187 . 24.068 52.916 -22.807 1 15.79 ? CB LEU A 187 1 -ATOM 2678 C CG . LEU E 3 187 . 23.109 53.002 -21.63 1 13.01 ? CG LEU A 187 1 -ATOM 2679 C CD1 . LEU E 3 187 . 23.912 53.154 -20.395 1 11.11 ? CD1 LEU A 187 1 -ATOM 2680 C CD2 . LEU E 3 187 . 22.138 54.159 -21.812 1 7.64 ? CD2 LEU A 187 1 -ATOM 2681 N N . LYS E 3 188 . 25.187 51.543 -25.409 1 30.17 ? N LYS A 188 1 -ATOM 2682 C CA . LYS E 3 188 . 25.034 51.061 -26.791 1 34.6 ? CA LYS A 188 1 -ATOM 2683 C C . LYS E 3 188 . 25.583 49.621 -26.887 1 33.97 ? C LYS A 188 1 -ATOM 2684 O O . LYS E 3 188 . 24.856 48.695 -27.266 1 34.67 ? O LYS A 188 1 -ATOM 2685 C CB . LYS E 3 188 . 25.81 51.985 -27.73 1 37.75 ? CB LYS A 188 1 -ATOM 2686 C CG . LYS E 3 188 . 25.101 52.351 -29.02 1 48.7 ? CG LYS A 188 1 -ATOM 2687 C CD . LYS E 3 188 . 25.928 53.4 -29.79 1 55 ? CD LYS A 188 1 -ATOM 2688 C CE . LYS E 3 188 . 26.118 54.709 -28.991 1 52.68 ? CE LYS A 188 1 -ATOM 2689 N NZ . LYS E 3 188 . 26.995 55.698 -29.68 1 47.03 ? NZ LYS A 188 1 -ATOM 2690 N N . MET E 3 189 . 26.856 49.456 -26.522 1 22.9 ? N MET A 189 1 -ATOM 2691 C CA . MET E 3 189 . 27.534 48.157 -26.483 1 22.26 ? CA MET A 189 1 -ATOM 2692 C C . MET E 3 189 . 26.643 47.093 -25.81 1 25.82 ? C MET A 189 1 -ATOM 2693 O O . MET E 3 189 . 26.38 46.045 -26.406 1 31.82 ? O MET A 189 1 -ATOM 2694 C CB . MET E 3 189 . 28.843 48.326 -25.72 1 18.51 ? CB MET A 189 1 -ATOM 2695 C CG . MET E 3 189 . 30.031 47.529 -26.237 1 21.59 ? CG MET A 189 1 -ATOM 2696 S SD . MET E 3 189 . 31.599 48.175 -25.52 1 32.16 ? SD MET A 189 1 -ATOM 2697 C CE . MET E 3 189 . 32.785 47.038 -26.205 1 27.39 ? CE MET A 189 1 -ATOM 2698 N N . LEU E 3 190 . 26.143 47.379 -24.604 1 22.69 ? N LEU A 190 1 -ATOM 2699 C CA . LEU E 3 190 . 25.262 46.472 -23.852 1 18.5 ? CA LEU A 190 1 -ATOM 2700 C C . LEU E 3 190 . 24.003 46.11 -24.597 1 19.01 ? C LEU A 190 1 -ATOM 2701 O O . LEU E 3 190 . 23.48 45.016 -24.464 1 20.28 ? O LEU A 190 1 -ATOM 2702 C CB . LEU E 3 190 . 24.901 47.119 -22.522 1 12.97 ? CB LEU A 190 1 -ATOM 2703 C CG . LEU E 3 190 . 26.079 47.008 -21.562 1 14.05 ? CG LEU A 190 1 -ATOM 2704 C CD1 . LEU E 3 190 . 26.399 48.283 -20.799 1 11.88 ? CD1 LEU A 190 1 -ATOM 2705 C CD2 . LEU E 3 190 . 25.707 45.862 -20.684 1 19.02 ? CD2 LEU A 190 1 -ATOM 2706 N N . GLU E 3 191 . 23.485 47.04 -25.369 1 27.73 ? N GLU A 191 1 -ATOM 2707 C CA . GLU E 3 191 . 22.298 46.729 -26.135 1 30.4 ? CA GLU A 191 1 -ATOM 2708 C C . GLU E 3 191 . 22.707 45.788 -27.271 1 28.65 ? C GLU A 191 1 -ATOM 2709 O O . GLU E 3 191 . 22.086 44.765 -27.474 1 33.58 ? O GLU A 191 1 -ATOM 2710 C CB . GLU E 3 191 . 21.686 48.02 -26.691 1 25.77 ? CB GLU A 191 1 -ATOM 2711 C CG . GLU E 3 191 . 20.186 47.905 -26.96 1 19.87 ? CG GLU A 191 1 -ATOM 2712 C CD . GLU E 3 191 . 19.535 49.247 -27.251 1 28.45 ? CD GLU A 191 1 -ATOM 2713 O OE1 . GLU E 3 191 . 18.29 49.252 -27.321 1 28.93 ? OE1 GLU A 191 1 -ATOM 2714 O OE2 . GLU E 3 191 . 20.251 50.279 -27.403 1 32.26 ? OE2 GLU A 191 1 -ATOM 2715 N N . ASP E 3 192 . 23.761 46.117 -27.999 1 15.74 ? N ASP A 192 1 -ATOM 2716 C CA . ASP E 3 192 . 24.233 45.236 -29.046 1 15.17 ? CA ASP A 192 1 -ATOM 2717 C C . ASP E 3 192 . 24.372 43.808 -28.52 1 21.74 ? C ASP A 192 1 -ATOM 2718 O O . ASP E 3 192 . 24.078 42.866 -29.249 1 30.73 ? O ASP A 192 1 -ATOM 2719 C CB . ASP E 3 192 . 25.594 45.687 -29.566 1 24.25 ? CB ASP A 192 1 -ATOM 2720 C CG . ASP E 3 192 . 25.538 47.034 -30.254 1 36.14 ? CG ASP A 192 1 -ATOM 2721 O OD1 . ASP E 3 192 . 24.445 47.423 -30.713 1 36.88 ? OD1 ASP A 192 1 -ATOM 2722 O OD2 . ASP E 3 192 . 26.593 47.706 -30.346 1 44.01 ? OD2 ASP A 192 1 -ATOM 2723 N N . GLN E 3 193 . 24.844 43.632 -27.28 1 19.56 ? N GLN A 193 1 -ATOM 2724 C CA . GLN E 3 193 . 24.984 42.279 -26.712 1 10.28 ? CA GLN A 193 1 -ATOM 2725 C C . GLN E 3 193 . 23.64 41.714 -26.327 1 11.96 ? C GLN A 193 1 -ATOM 2726 O O . GLN E 3 193 . 23.527 40.537 -26.021 1 16.64 ? O GLN A 193 1 -ATOM 2727 C CB . GLN E 3 193 . 25.87 42.284 -25.476 1 9.3 ? CB GLN A 193 1 -ATOM 2728 C CG . GLN E 3 193 . 27.345 42.58 -25.736 1 10.66 ? CG GLN A 193 1 -ATOM 2729 C CD . GLN E 3 193 . 28.131 42.582 -24.419 1 24.5 ? CD GLN A 193 1 -ATOM 2730 O OE1 . GLN E 3 193 . 28.675 43.604 -24.022 1 30.4 ? OE1 GLN A 193 1 -ATOM 2731 N NE2 . GLN E 3 193 . 28.181 41.446 -23.739 1 25.74 ? NE2 GLN A 193 1 -ATOM 2732 N N . ASN E 3 194 . 22.641 42.582 -26.326 1 6 ? N ASN A 194 1 -ATOM 2733 C CA . ASN E 3 194 . 21.233 42.279 -26.054 1 13.25 ? CA ASN A 194 1 -ATOM 2734 C C . ASN E 3 194 . 20.955 42.179 -24.56 1 18.36 ? C ASN A 194 1 -ATOM 2735 O O . ASN E 3 194 . 20.029 41.482 -24.131 1 32.17 ? O ASN A 194 1 -ATOM 2736 C CB . ASN E 3 194 . 20.818 40.954 -26.727 1 27.73 ? CB ASN A 194 1 -ATOM 2737 C CG . ASN E 3 194 . 21.199 40.871 -28.23 1 44.19 ? CG ASN A 194 1 -ATOM 2738 O OD1 . ASN E 3 194 . 20.868 41.744 -29.03 1 50.76 ? OD1 ASN A 194 1 -ATOM 2739 N ND2 . ASN E 3 194 . 21.889 39.786 -28.609 1 55 ? ND2 ASN A 194 1 -ATOM 2740 N N . LEU E 3 195 . 21.744 42.887 -23.755 1 13.17 ? N LEU A 195 1 -ATOM 2741 C CA . LEU E 3 195 . 21.591 42.85 -22.302 1 14.94 ? CA LEU A 195 1 -ATOM 2742 C C . LEU E 3 195 . 20.598 43.877 -21.746 1 18.36 ? C LEU A 195 1 -ATOM 2743 O O . LEU E 3 195 . 20.198 43.77 -20.601 1 14.45 ? O LEU A 195 1 -ATOM 2744 C CB . LEU E 3 195 . 22.973 43.045 -21.64 1 11.28 ? CB LEU A 195 1 -ATOM 2745 C CG . LEU E 3 195 . 23.847 41.776 -21.746 1 9.83 ? CG LEU A 195 1 -ATOM 2746 C CD1 . LEU E 3 195 . 25.158 42.059 -21.127 1 6 ? CD1 LEU A 195 1 -ATOM 2747 C CD2 . LEU E 3 195 . 23.211 40.584 -21.027 1 7.24 ? CD2 LEU A 195 1 -ATOM 2748 N N . ILE E 3 196 . 20.193 44.862 -22.543 1 31.48 ? N ILE A 196 1 -ATOM 2749 C CA . ILE E 3 196 . 19.25 45.918 -22.12 1 27.12 ? CA ILE A 196 1 -ATOM 2750 C C . ILE E 3 196 . 18.582 46.506 -23.365 1 26.51 ? C ILE A 196 1 -ATOM 2751 O O . ILE E 3 196 . 18.933 46.125 -24.472 1 20.22 ? O ILE A 196 1 -ATOM 2752 C CB . ILE E 3 196 . 19.975 47.111 -21.381 1 19.68 ? CB ILE A 196 1 -ATOM 2753 C CG1 . ILE E 3 196 . 20.829 47.921 -22.363 1 13.37 ? CG1 ILE A 196 1 -ATOM 2754 C CG2 . ILE E 3 196 . 20.928 46.58 -20.332 1 18.05 ? CG2 ILE A 196 1 -ATOM 2755 C CD1 . ILE E 3 196 . 21.673 49.028 -21.682 1 11.77 ? CD1 ILE A 196 1 -ATOM 2756 N N . SER E 3 197 . 17.603 47.382 -23.206 1 24.29 ? N SER A 197 1 -ATOM 2757 C CA . SER E 3 197 . 17.077 48.1 -24.354 1 20.89 ? CA SER A 197 1 -ATOM 2758 C C . SER E 3 197 . 16.804 49.468 -23.793 1 24.85 ? C SER A 197 1 -ATOM 2759 O O . SER E 3 197 . 16.241 49.606 -22.705 1 23.41 ? O SER A 197 1 -ATOM 2760 C CB . SER E 3 197 . 15.795 47.473 -24.885 1 12.72 ? CB SER A 197 1 -ATOM 2761 O OG . SER E 3 197 . 14.734 47.643 -23.993 1 16.09 ? OG SER A 197 1 -ATOM 2762 N N . ALA E 3 198 . 17.239 50.475 -24.526 1 31.93 ? N ALA A 198 1 -ATOM 2763 C CA . ALA E 3 198 . 17.156 51.854 -24.072 1 30.93 ? CA ALA A 198 1 -ATOM 2764 C C . ALA E 3 198 . 16.503 52.786 -25.069 1 29.93 ? C ALA A 198 1 -ATOM 2765 O O . ALA E 3 198 . 16.359 52.447 -26.216 1 33.61 ? O ALA A 198 1 -ATOM 2766 C CB . ALA E 3 198 . 18.545 52.337 -23.776 1 30.54 ? CB ALA A 198 1 -ATOM 2767 N N . HIS E 3 199 . 16.159 53.99 -24.624 1 38.11 ? N HIS A 199 1 -ATOM 2768 C CA . HIS E 3 199 . 15.483 55.008 -25.451 1 36.12 ? CA HIS A 199 1 -ATOM 2769 C C . HIS E 3 199 . 14.906 56.079 -24.477 1 35.84 ? C HIS A 199 1 -ATOM 2770 O O . HIS E 3 199 . 13.855 56.647 -24.726 1 34.63 ? O HIS A 199 1 -ATOM 2771 C CB . HIS E 3 199 . 14.393 54.274 -26.239 1 38.64 ? CB HIS A 199 1 -ATOM 2772 C CG . HIS E 3 199 . 13.387 55.16 -26.881 1 50.54 ? CG HIS A 199 1 -ATOM 2773 N ND1 . HIS E 3 199 . 12.048 55.106 -26.558 1 47.44 ? ND1 HIS A 199 1 -ATOM 2774 C CD2 . HIS E 3 199 . 13.516 56.141 -27.809 1 50.46 ? CD2 HIS A 199 1 -ATOM 2775 C CE1 . HIS E 3 199 . 11.387 56.013 -27.252 1 50.9 ? CE1 HIS A 199 1 -ATOM 2776 N NE2 . HIS E 3 199 . 12.257 56.653 -28.018 1 53.55 ? NE2 HIS A 199 1 -ATOM 2777 N N . GLY E 3 200 . 15.633 56.361 -23.393 1 40.6 ? N GLY A 200 1 -ATOM 2778 C CA . GLY E 3 200 . 15.18 57.237 -22.306 1 38.26 ? CA GLY A 200 1 -ATOM 2779 C C . GLY E 3 200 . 14.804 56.313 -21.127 1 39.05 ? C GLY A 200 1 -ATOM 2780 O O . GLY E 3 200 . 15.325 56.376 -19.982 1 22.5 ? O GLY A 200 1 -ATOM 2781 N N . LYS E 3 201 . 13.834 55.449 -21.403 1 40.63 ? N LYS A 201 1 -ATOM 2782 C CA . LYS E 3 201 . 13.513 54.431 -20.435 1 39.59 ? CA LYS A 201 1 -ATOM 2783 C C . LYS E 3 201 . 14.408 53.265 -20.819 1 36.65 ? C LYS A 201 1 -ATOM 2784 O O . LYS E 3 201 . 14.655 53.04 -21.996 1 41.86 ? O LYS A 201 1 -ATOM 2785 C CB . LYS E 3 201 . 12.014 54.072 -20.514 1 37.87 ? CB LYS A 201 1 -ATOM 2786 C CG . LYS E 3 201 . 11.402 53.85 -21.875 1 38.9 ? CG LYS A 201 1 -ATOM 2787 C CD . LYS E 3 201 . 11.902 52.585 -22.569 1 43.23 ? CD LYS A 201 1 -ATOM 2788 C CE . LYS E 3 201 . 11.087 52.226 -23.844 1 44.23 ? CE LYS A 201 1 -ATOM 2789 N NZ . LYS E 3 201 . 11.62 50.97 -24.482 1 41.29 ? NZ LYS A 201 1 -ATOM 2790 N N . THR E 3 202 . 14.944 52.558 -19.84 1 28.72 ? N THR A 202 1 -ATOM 2791 C CA . THR E 3 202 . 15.822 51.453 -20.15 1 19.94 ? CA THR A 202 1 -ATOM 2792 C C . THR E 3 202 . 15.253 50.205 -19.575 1 18.34 ? C THR A 202 1 -ATOM 2793 O O . THR E 3 202 . 14.516 50.265 -18.598 1 18.19 ? O THR A 202 1 -ATOM 2794 C CB . THR E 3 202 . 17.185 51.635 -19.551 1 18.1 ? CB THR A 202 1 -ATOM 2795 O OG1 . THR E 3 202 . 17.719 52.896 -19.955 1 22.06 ? OG1 THR A 202 1 -ATOM 2796 C CG2 . THR E 3 202 . 18.123 50.582 -20.051 1 16.92 ? CG2 THR A 202 1 -ATOM 2797 N N . ILE E 3 203 . 15.571 49.082 -20.193 1 12.33 ? N ILE A 203 1 -ATOM 2798 C CA . ILE E 3 203 . 15.131 47.801 -19.689 1 17.49 ? CA ILE A 203 1 -ATOM 2799 C C . ILE E 3 203 . 16.394 47.051 -19.385 1 20.87 ? C ILE A 203 1 -ATOM 2800 O O . ILE E 3 203 . 17.32 47.026 -20.205 1 25.38 ? O ILE A 203 1 -ATOM 2801 C CB . ILE E 3 203 . 14.324 46.957 -20.731 1 30.93 ? CB ILE A 203 1 -ATOM 2802 C CG1 . ILE E 3 203 . 12.945 47.573 -20.95 1 29.56 ? CG1 ILE A 203 1 -ATOM 2803 C CG2 . ILE E 3 203 . 14.214 45.513 -20.253 1 29.31 ? CG2 ILE A 203 1 -ATOM 2804 C CD1 . ILE E 3 203 . 12.963 48.788 -21.845 1 39.12 ? CD1 ILE A 203 1 -ATOM 2805 N N . VAL E 3 204 . 16.475 46.493 -18.189 1 22.88 ? N VAL A 204 1 -ATOM 2806 C CA . VAL E 3 204 . 17.632 45.693 -17.845 1 19.38 ? CA VAL A 204 1 -ATOM 2807 C C . VAL E 3 204 . 17.099 44.261 -18.011 1 24.35 ? C VAL A 204 1 -ATOM 2808 O O . VAL E 3 204 . 15.936 43.974 -17.64 1 14.54 ? O VAL A 204 1 -ATOM 2809 C CB . VAL E 3 204 . 18.048 45.966 -16.394 1 18.13 ? CB VAL A 204 1 -ATOM 2810 C CG1 . VAL E 3 204 . 19.384 45.296 -16.098 1 21.2 ? CG1 VAL A 204 1 -ATOM 2811 C CG2 . VAL E 3 204 . 18.13 47.463 -16.174 1 29.06 ? CG2 VAL A 204 1 -ATOM 2812 N N . VAL E 3 205 . 17.949 43.395 -18.564 1 26.57 ? N VAL A 205 1 -ATOM 2813 C CA . VAL E 3 205 . 17.664 41.974 -18.886 1 29.35 ? CA VAL A 205 1 -ATOM 2814 C C . VAL E 3 205 . 17.006 41.936 -20.263 1 30.49 ? C VAL A 205 1 -ATOM 2815 O O . VAL E 3 205 . 15.794 42.006 -20.424 1 24.27 ? O VAL A 205 1 -ATOM 2816 C CB . VAL E 3 205 . 16.729 41.301 -17.811 1 27.54 ? CB VAL A 205 1 -ATOM 2817 C CG1 . VAL E 3 205 . 16.268 39.902 -18.225 1 28.28 ? CG1 VAL A 205 1 -ATOM 2818 C CG2 . VAL E 3 205 . 17.522 41.095 -16.563 1 34.11 ? CG2 VAL A 205 1 -ATOM 2819 N N . TYR E 3 206 . 17.893 41.873 -21.254 1 37.63 ? N TYR A 206 1 -ATOM 2820 C CA . TYR E 3 206 . 17.576 41.828 -22.675 1 43.47 ? CA TYR A 206 1 -ATOM 2821 C C . TYR E 3 206 . 16.423 42.716 -23.135 1 48.68 ? C TYR A 206 1 -ATOM 2822 O O . TYR E 3 206 . 15.748 43.405 -22.345 1 48.78 ? O TYR A 206 1 -ATOM 2823 C CB . TYR E 3 206 . 17.299 40.342 -23.109 1 55 ? CB TYR A 206 1 -ATOM 2824 C CG . TYR E 3 206 . 15.95 39.653 -22.778 1 55 ? CG TYR A 206 1 -ATOM 2825 C CD1 . TYR E 3 206 . 15.838 38.702 -21.75 1 55 ? CD1 TYR A 206 1 -ATOM 2826 C CD2 . TYR E 3 206 . 14.797 39.941 -23.516 1 55 ? CD2 TYR A 206 1 -ATOM 2827 C CE1 . TYR E 3 206 . 14.603 38.048 -21.479 1 54.5 ? CE1 TYR A 206 1 -ATOM 2828 C CE2 . TYR E 3 206 . 13.568 39.302 -23.258 1 55 ? CE2 TYR A 206 1 -ATOM 2829 C CZ . TYR E 3 206 . 13.467 38.36 -22.242 1 55 ? CZ TYR A 206 1 -ATOM 2830 O OH . TYR E 3 206 . 12.219 37.75 -22.026 1 55 ? OH TYR A 206 1 -ATOM 2831 N N . GLY E 3 207 . 16.218 42.703 -24.439 1 50.28 ? N GLY A 207 1 -ATOM 2832 C CA . GLY E 3 207 . 15.171 43.51 -25.023 1 48.38 ? CA GLY A 207 1 -ATOM 2833 C C . GLY E 3 207 . 15.777 44.266 -26.18 1 48.9 ? C GLY A 207 1 -ATOM 2834 O O . GLY E 3 207 . 15.061 45.093 -26.801 1 48.99 ? O GLY A 207 1 -ATOM 2835 N N . PRO F 3 9 . 32.458 55.919 32.757 1 37.76 ? N PRO B 9 1 -ATOM 2836 C CA . PRO F 3 9 . 31.061 56.308 33.04 1 42.32 ? CA PRO B 9 1 -ATOM 2837 C C . PRO F 3 9 . 30.11 55.175 32.674 1 42.87 ? C PRO B 9 1 -ATOM 2838 O O . PRO F 3 9 . 29.905 54.235 33.456 1 39.62 ? O PRO B 9 1 -ATOM 2839 C CB . PRO F 3 9 . 30.821 57.571 32.223 1 40.69 ? CB PRO B 9 1 -ATOM 2840 C CG . PRO F 3 9 . 31.619 57.247 30.946 1 41.95 ? CG PRO B 9 1 -ATOM 2841 C CD . PRO F 3 9 . 32.907 56.647 31.525 1 43.1 ? CD PRO B 9 1 -ATOM 2842 N N . THR F 3 10 . 29.529 55.27 31.484 1 43.95 ? N THR B 10 1 -ATOM 2843 C CA . THR F 3 10 . 28.632 54.234 30.999 1 40.86 ? CA THR B 10 1 -ATOM 2844 C C . THR F 3 10 . 29.481 53.006 30.641 1 36.55 ? C THR B 10 1 -ATOM 2845 O O . THR F 3 10 . 29.137 51.878 30.967 1 34.19 ? O THR B 10 1 -ATOM 2846 C CB . THR F 3 10 . 27.857 54.711 29.715 1 40.48 ? CB THR B 10 1 -ATOM 2847 O OG1 . THR F 3 10 . 27.258 55.99 29.938 1 35.33 ? OG1 THR B 10 1 -ATOM 2848 C CG2 . THR F 3 10 . 26.755 53.755 29.376 1 34.81 ? CG2 THR B 10 1 -ATOM 2849 N N . LEU F 3 11 . 30.621 53.27 30.002 1 33.11 ? N LEU B 11 1 -ATOM 2850 C CA . LEU F 3 11 . 31.501 52.225 29.469 1 36.38 ? CA LEU B 11 1 -ATOM 2851 C C . LEU F 3 11 . 31.904 51.108 30.418 1 38.94 ? C LEU B 11 1 -ATOM 2852 O O . LEU F 3 11 . 32.097 49.996 29.943 1 33.94 ? O LEU B 11 1 -ATOM 2853 C CB . LEU F 3 11 . 32.805 52.824 28.912 1 27.13 ? CB LEU B 11 1 -ATOM 2854 C CG . LEU F 3 11 . 32.748 53.835 27.772 1 23.02 ? CG LEU B 11 1 -ATOM 2855 C CD1 . LEU F 3 11 . 34.161 53.918 27.222 1 27.23 ? CD1 LEU B 11 1 -ATOM 2856 C CD2 . LEU F 3 11 . 31.807 53.43 26.663 1 6.56 ? CD2 LEU B 11 1 -ATOM 2857 N N . GLU F 3 12 . 32.042 51.37 31.723 1 44.43 ? N GLU B 12 1 -ATOM 2858 C CA . GLU F 3 12 . 32.478 50.31 32.626 1 40.52 ? CA GLU B 12 1 -ATOM 2859 C C . GLU F 3 12 . 31.4 49.304 32.887 1 33.49 ? C GLU B 12 1 -ATOM 2860 O O . GLU F 3 12 . 31.705 48.116 32.899 1 36.19 ? O GLU B 12 1 -ATOM 2861 C CB . GLU F 3 12 . 32.976 50.894 33.965 1 46.7 ? CB GLU B 12 1 -ATOM 2862 C CG . GLU F 3 12 . 34.478 51.375 33.932 1 47.64 ? CG GLU B 12 1 -ATOM 2863 C CD . GLU F 3 12 . 35.526 50.24 33.665 1 51.36 ? CD GLU B 12 1 -ATOM 2864 O OE1 . GLU F 3 12 . 35.124 49.076 33.4 1 52.48 ? OE1 GLU B 12 1 -ATOM 2865 O OE2 . GLU F 3 12 . 36.759 50.496 33.726 1 50.54 ? OE2 GLU B 12 1 -ATOM 2866 N N . TRP F 3 13 . 30.156 49.725 33.083 1 25.07 ? N TRP B 13 1 -ATOM 2867 C CA . TRP F 3 13 . 29.129 48.71 33.26 1 27.05 ? CA TRP B 13 1 -ATOM 2868 C C . TRP F 3 13 . 29.084 47.877 31.964 1 31.78 ? C TRP B 13 1 -ATOM 2869 O O . TRP F 3 13 . 28.862 46.654 31.996 1 37.55 ? O TRP B 13 1 -ATOM 2870 C CB . TRP F 3 13 . 27.762 49.348 33.511 1 26.56 ? CB TRP B 13 1 -ATOM 2871 C CG . TRP F 3 13 . 26.905 49.489 32.315 1 29.3 ? CG TRP B 13 1 -ATOM 2872 C CD1 . TRP F 3 13 . 27.13 50.276 31.229 1 27.96 ? CD1 TRP B 13 1 -ATOM 2873 C CD2 . TRP F 3 13 . 25.66 48.824 32.077 1 30.19 ? CD2 TRP B 13 1 -ATOM 2874 N NE1 . TRP F 3 13 . 26.103 50.154 30.317 1 27.93 ? NE1 TRP B 13 1 -ATOM 2875 C CE2 . TRP F 3 13 . 25.183 49.269 30.81 1 39.66 ? CE2 TRP B 13 1 -ATOM 2876 C CE3 . TRP F 3 13 . 24.896 47.899 32.806 1 27.46 ? CE3 TRP B 13 1 -ATOM 2877 C CZ2 . TRP F 3 13 . 23.972 48.819 30.253 1 42.68 ? CZ2 TRP B 13 1 -ATOM 2878 C CZ3 . TRP F 3 13 . 23.69 47.449 32.256 1 35.1 ? CZ3 TRP B 13 1 -ATOM 2879 C CH2 . TRP F 3 13 . 23.243 47.913 30.988 1 43.87 ? CH2 TRP B 13 1 -ATOM 2880 N N . PHE F 3 14 . 29.297 48.558 30.826 1 38.54 ? N PHE B 14 1 -ATOM 2881 C CA . PHE F 3 14 . 29.356 47.941 29.48 1 28.83 ? CA PHE B 14 1 -ATOM 2882 C C . PHE F 3 14 . 30.544 47.004 29.408 1 27.84 ? C PHE B 14 1 -ATOM 2883 O O . PHE F 3 14 . 30.401 45.804 29.175 1 28.9 ? O PHE B 14 1 -ATOM 2884 C CB . PHE F 3 14 . 29.518 49.032 28.378 1 30.58 ? CB PHE B 14 1 -ATOM 2885 C CG . PHE F 3 14 . 29.981 48.524 26.987 1 19.41 ? CG PHE B 14 1 -ATOM 2886 C CD1 . PHE F 3 14 . 29.073 48.013 26.063 1 17.79 ? CD1 PHE B 14 1 -ATOM 2887 C CD2 . PHE F 3 14 . 31.321 48.543 26.652 1 13.08 ? CD2 PHE B 14 1 -ATOM 2888 C CE1 . PHE F 3 14 . 29.489 47.537 24.866 1 14.72 ? CE1 PHE B 14 1 -ATOM 2889 C CE2 . PHE F 3 14 . 31.736 48.073 25.472 1 13.06 ? CE2 PHE B 14 1 -ATOM 2890 C CZ . PHE F 3 14 . 30.811 47.558 24.566 1 16.63 ? CZ PHE B 14 1 -ATOM 2891 N N . LEU F 3 15 . 31.71 47.57 29.681 1 17.39 ? N LEU B 15 1 -ATOM 2892 C CA . LEU F 3 15 . 32.948 46.865 29.526 1 22.6 ? CA LEU B 15 1 -ATOM 2893 C C . LEU F 3 15 . 33.068 45.781 30.536 1 24.82 ? C LEU B 15 1 -ATOM 2894 O O . LEU F 3 15 . 34.022 45.025 30.483 1 33.6 ? O LEU B 15 1 -ATOM 2895 C CB . LEU F 3 15 . 34.126 47.861 29.642 1 39.7 ? CB LEU B 15 1 -ATOM 2896 C CG . LEU F 3 15 . 35.397 47.719 28.729 1 53.9 ? CG LEU B 15 1 -ATOM 2897 C CD1 . LEU F 3 15 . 36.286 48.993 28.907 1 50.82 ? CD1 LEU B 15 1 -ATOM 2898 C CD2 . LEU F 3 15 . 36.197 46.417 29.087 1 54.49 ? CD2 LEU B 15 1 -ATOM 2899 N N . SER F 3 16 . 32.118 45.699 31.465 1 37.79 ? N SER B 16 1 -ATOM 2900 C CA . SER F 3 16 . 32.175 44.635 32.463 1 39.52 ? CA SER B 16 1 -ATOM 2901 C C . SER F 3 16 . 31.641 43.343 31.842 1 37.51 ? C SER B 16 1 -ATOM 2902 O O . SER F 3 16 . 32.288 42.302 31.899 1 39.32 ? O SER B 16 1 -ATOM 2903 C CB . SER F 3 16 . 31.343 45.027 33.74 1 41.54 ? CB SER B 16 1 -ATOM 2904 O OG . SER F 3 16 . 29.903 45.029 33.661 1 27.56 ? OG SER B 16 1 -ATOM 2905 N N . HIS F 3 17 . 30.493 43.437 31.192 1 34.03 ? N HIS B 17 1 -ATOM 2906 C CA . HIS F 3 17 . 29.834 42.292 30.577 1 34.83 ? CA HIS B 17 1 -ATOM 2907 C C . HIS F 3 17 . 30.555 41.664 29.381 1 35.6 ? C HIS B 17 1 -ATOM 2908 O O . HIS F 3 17 . 30.018 40.742 28.757 1 36.69 ? O HIS B 17 1 -ATOM 2909 C CB . HIS F 3 17 . 28.434 42.704 30.129 1 37.55 ? CB HIS B 17 1 -ATOM 2910 C CG . HIS F 3 17 . 27.521 43.07 31.257 1 47.45 ? CG HIS B 17 1 -ATOM 2911 N ND1 . HIS F 3 17 . 27.926 43.843 32.328 1 41.72 ? ND1 HIS B 17 1 -ATOM 2912 C CD2 . HIS F 3 17 . 26.22 42.758 31.484 1 47.41 ? CD2 HIS B 17 1 -ATOM 2913 C CE1 . HIS F 3 17 . 26.913 43.988 33.165 1 44.66 ? CE1 HIS B 17 1 -ATOM 2914 N NE2 . HIS F 3 17 . 25.867 43.34 32.677 1 36.89 ? NE2 HIS B 17 1 -ATOM 2915 N N . CYS F 3 18 . 31.743 42.135 29.029 1 35.27 ? N CYS B 18 1 -ATOM 2916 C CA . CYS F 3 18 . 32.412 41.573 27.848 1 41.77 ? CA CYS B 18 1 -ATOM 2917 C C . CYS F 3 18 . 33.527 40.563 28.133 1 36.56 ? C CYS B 18 1 -ATOM 2918 O O . CYS F 3 18 . 34.124 40.568 29.207 1 37.26 ? O CYS B 18 1 -ATOM 2919 C CB . CYS F 3 18 . 33.034 42.693 26.979 1 49.42 ? CB CYS B 18 1 -ATOM 2920 S SG . CYS F 3 18 . 31.923 43.822 26.055 1 41.66 ? SG CYS B 18 1 -ATOM 2921 N N . HIS F 3 19 . 33.803 39.694 27.162 1 25.23 ? N HIS B 19 1 -ATOM 2922 C CA . HIS F 3 19 . 34.932 38.799 27.287 1 22.22 ? CA HIS B 19 1 -ATOM 2923 C C . HIS F 3 19 . 36.066 39.503 26.587 1 21.14 ? C HIS B 19 1 -ATOM 2924 O O . HIS F 3 19 . 35.923 39.97 25.462 1 34.45 ? O HIS B 19 1 -ATOM 2925 C CB . HIS F 3 19 . 34.524 37.484 26.671 1 16.66 ? CB HIS B 19 1 -ATOM 2926 C CG . HIS F 3 19 . 33.458 36.834 27.491 1 31.62 ? CG HIS B 19 1 -ATOM 2927 N ND1 . HIS F 3 19 . 32.145 37.253 27.463 1 34.38 ? ND1 HIS B 19 1 -ATOM 2928 C CD2 . HIS F 3 19 . 33.52 35.863 28.43 1 27.12 ? CD2 HIS B 19 1 -ATOM 2929 C CE1 . HIS F 3 19 . 31.444 36.573 28.356 1 27.9 ? CE1 HIS B 19 1 -ATOM 2930 N NE2 . HIS F 3 19 . 32.255 35.726 28.954 1 23.94 ? NE2 HIS B 19 1 -ATOM 2931 N N . ILE F 3 20 . 37.188 39.622 27.257 1 13.35 ? N ILE B 20 1 -ATOM 2932 C CA . ILE F 3 20 . 38.245 40.424 26.695 1 10.09 ? CA ILE B 20 1 -ATOM 2933 C C . ILE F 3 20 . 39.35 39.611 26.046 1 15.22 ? C ILE B 20 1 -ATOM 2934 O O . ILE F 3 20 . 39.764 38.631 26.663 1 20.27 ? O ILE B 20 1 -ATOM 2935 C CB . ILE F 3 20 . 38.849 41.299 27.802 1 14.23 ? CB ILE B 20 1 -ATOM 2936 C CG1 . ILE F 3 20 . 37.699 41.896 28.659 1 16.48 ? CG1 ILE B 20 1 -ATOM 2937 C CG2 . ILE F 3 20 . 39.787 42.345 27.166 1 12.88 ? CG2 ILE B 20 1 -ATOM 2938 C CD1 . ILE F 3 20 . 36.555 42.638 27.965 1 16.05 ? CD1 ILE B 20 1 -ATOM 2939 N N . HIS F 3 21 . 39.869 40.024 24.862 1 14.39 ? N HIS B 21 1 -ATOM 2940 C CA . HIS F 3 21 . 40.975 39.276 24.215 1 9.36 ? CA HIS B 21 1 -ATOM 2941 C C . HIS F 3 21 . 42.106 40.157 23.7 1 10.34 ? C HIS B 21 1 -ATOM 2942 O O . HIS F 3 21 . 41.943 41.314 23.339 1 15.95 ? O HIS B 21 1 -ATOM 2943 C CB . HIS F 3 21 . 40.477 38.436 23.008 1 22.76 ? CB HIS B 21 1 -ATOM 2944 C CG . HIS F 3 21 . 39.189 37.702 23.244 1 26.39 ? CG HIS B 21 1 -ATOM 2945 N ND1 . HIS F 3 21 . 37.955 38.266 22.981 1 33.2 ? ND1 HIS B 21 1 -ATOM 2946 C CD2 . HIS F 3 21 . 38.94 36.453 23.705 1 34.96 ? CD2 HIS B 21 1 -ATOM 2947 C CE1 . HIS F 3 21 . 37.003 37.395 23.264 1 32.45 ? CE1 HIS B 21 1 -ATOM 2948 N NE2 . HIS F 3 21 . 37.573 36.287 23.706 1 35.08 ? NE2 HIS B 21 1 -ATOM 2949 N N . LYS F 3 22 . 43.274 39.567 23.662 1 6 ? N LYS B 22 1 -ATOM 2950 C CA . LYS F 3 22 . 44.432 40.253 23.21 1 14.86 ? CA LYS B 22 1 -ATOM 2951 C C . LYS F 3 22 . 44.866 39.66 21.838 1 22.98 ? C LYS B 22 1 -ATOM 2952 O O . LYS F 3 22 . 45.241 38.49 21.754 1 38.29 ? O LYS B 22 1 -ATOM 2953 C CB . LYS F 3 22 . 45.559 40.098 24.248 1 21.82 ? CB LYS B 22 1 -ATOM 2954 C CG . LYS F 3 22 . 45.213 40.498 25.686 1 34.06 ? CG LYS B 22 1 -ATOM 2955 C CD . LYS F 3 22 . 46.432 40.936 26.557 1 36.98 ? CD LYS B 22 1 -ATOM 2956 C CE . LYS F 3 22 . 47.552 39.891 26.815 1 43.07 ? CE LYS B 22 1 -ATOM 2957 N NZ . LYS F 3 22 . 48.615 39.675 25.751 1 44.52 ? NZ LYS B 22 1 -ATOM 2958 N N . TYR F 3 23 . 44.788 40.435 20.76 1 18 ? N TYR B 23 1 -ATOM 2959 C CA . TYR F 3 23 . 45.19 39.969 19.449 1 14.94 ? CA TYR B 23 1 -ATOM 2960 C C . TYR F 3 23 . 46.593 40.414 19.156 1 14.27 ? C TYR B 23 1 -ATOM 2961 O O . TYR F 3 23 . 46.896 41.585 19.308 1 19.55 ? O TYR B 23 1 -ATOM 2962 C CB . TYR F 3 23 . 44.263 40.534 18.4 1 21.04 ? CB TYR B 23 1 -ATOM 2963 C CG . TYR F 3 23 . 42.893 39.944 18.419 1 16.74 ? CG TYR B 23 1 -ATOM 2964 C CD1 . TYR F 3 23 . 42.608 38.779 17.694 1 21.43 ? CD1 TYR B 23 1 -ATOM 2965 C CD2 . TYR F 3 23 . 41.878 40.534 19.128 1 18.4 ? CD2 TYR B 23 1 -ATOM 2966 C CE1 . TYR F 3 23 . 41.326 38.222 17.683 1 14.61 ? CE1 TYR B 23 1 -ATOM 2967 C CE2 . TYR F 3 23 . 40.593 39.977 19.118 1 18.09 ? CE2 TYR B 23 1 -ATOM 2968 C CZ . TYR F 3 23 . 40.344 38.828 18.39 1 6 ? CZ TYR B 23 1 -ATOM 2969 O OH . TYR F 3 23 . 39.087 38.327 18.342 1 14.48 ? OH TYR B 23 1 -ATOM 2970 N N . PRO F 3 24 . 47.478 39.502 18.755 1 6.77 ? N PRO B 24 1 -ATOM 2971 C CA . PRO F 3 24 . 48.831 39.891 18.326 1 8.53 ? CA PRO B 24 1 -ATOM 2972 C C . PRO F 3 24 . 48.743 40.735 17.073 1 11.19 ? C PRO B 24 1 -ATOM 2973 O O . PRO F 3 24 . 47.733 40.685 16.377 1 9.24 ? O PRO B 24 1 -ATOM 2974 C CB . PRO F 3 24 . 49.538 38.553 18.13 1 6 ? CB PRO B 24 1 -ATOM 2975 C CG . PRO F 3 24 . 48.407 37.704 17.602 1 9.82 ? CG PRO B 24 1 -ATOM 2976 C CD . PRO F 3 24 . 47.328 38.035 18.651 1 8.28 ? CD PRO B 24 1 -ATOM 2977 N N . SER F 3 25 . 49.771 41.501 16.77 1 13.72 ? N SER B 25 1 -ATOM 2978 C CA . SER F 3 25 . 49.722 42.307 15.561 1 21.63 ? CA SER B 25 1 -ATOM 2979 C C . SER F 3 25 . 49.718 41.439 14.294 1 17.59 ? C SER B 25 1 -ATOM 2980 O O . SER F 3 25 . 50.435 40.447 14.196 1 23.55 ? O SER B 25 1 -ATOM 2981 C CB . SER F 3 25 . 50.914 43.246 15.524 1 19.72 ? CB SER B 25 1 -ATOM 2982 O OG . SER F 3 25 . 52.113 42.521 15.645 1 31.54 ? OG SER B 25 1 -ATOM 2983 N N . LYS F 3 26 . 48.887 41.871 13.352 1 19.23 ? N LYS B 26 1 -ATOM 2984 C CA . LYS F 3 26 . 48.616 41.3 12.024 1 20.75 ? CA LYS B 26 1 -ATOM 2985 C C . LYS F 3 26 . 47.551 40.231 12.078 1 16.14 ? C LYS B 26 1 -ATOM 2986 O O . LYS F 3 26 . 47.21 39.642 11.055 1 18.18 ? O LYS B 26 1 -ATOM 2987 C CB . LYS F 3 26 . 49.895 40.709 11.407 1 25.5 ? CB LYS B 26 1 -ATOM 2988 C CG . LYS F 3 26 . 49.71 39.829 10.156 1 40.29 ? CG LYS B 26 1 -ATOM 2989 C CD . LYS F 3 26 . 49.004 40.462 8.917 1 34.06 ? CD LYS B 26 1 -ATOM 2990 C CE . LYS F 3 26 . 49.688 41.738 8.396 1 33.9 ? CE LYS B 26 1 -ATOM 2991 N NZ . LYS F 3 26 . 51.18 41.653 8.255 1 31.77 ? NZ LYS B 26 1 -ATOM 2992 N N . SER F 3 27 . 46.969 39.987 13.248 1 17.89 ? N SER B 27 1 -ATOM 2993 C CA . SER F 3 27 . 45.95 38.946 13.231 1 16.83 ? CA SER B 27 1 -ATOM 2994 C C . SER F 3 27 . 44.657 39.424 12.561 1 19.61 ? C SER B 27 1 -ATOM 2995 O O . SER F 3 27 . 44.398 40.603 12.302 1 9.87 ? O SER B 27 1 -ATOM 2996 C CB . SER F 3 27 . 45.651 38.421 14.676 1 15.62 ? CB SER B 27 1 -ATOM 2997 O OG . SER F 3 27 . 45.285 39.36 15.681 1 13.75 ? OG SER B 27 1 -ATOM 2998 N N . THR F 3 28 . 43.825 38.462 12.26 1 21.25 ? N THR B 28 1 -ATOM 2999 C CA . THR F 3 28 . 42.62 38.758 11.555 1 20.93 ? CA THR B 28 1 -ATOM 3000 C C . THR F 3 28 . 41.431 38.665 12.505 1 25.98 ? C THR B 28 1 -ATOM 3001 O O . THR F 3 28 . 40.951 37.562 12.795 1 31.52 ? O THR B 28 1 -ATOM 3002 C CB . THR F 3 28 . 42.567 37.767 10.385 1 15.71 ? CB THR B 28 1 -ATOM 3003 O OG1 . THR F 3 28 . 43.717 37.982 9.54 1 13.94 ? OG1 THR B 28 1 -ATOM 3004 C CG2 . THR F 3 28 . 41.322 37.932 9.61 1 9.93 ? CG2 THR B 28 1 -ATOM 3005 N N . LEU F 3 29 . 40.975 39.817 13.011 1 18.06 ? N LEU B 29 1 -ATOM 3006 C CA . LEU F 3 29 . 39.83 39.864 13.918 1 9.45 ? CA LEU B 29 1 -ATOM 3007 C C . LEU F 3 29 . 38.568 39.478 13.247 1 6 ? C LEU B 29 1 -ATOM 3008 O O . LEU F 3 29 . 37.78 38.767 13.826 1 7.91 ? O LEU B 29 1 -ATOM 3009 C CB . LEU F 3 29 . 39.578 41.25 14.484 1 10.97 ? CB LEU B 29 1 -ATOM 3010 C CG . LEU F 3 29 . 40.511 42.023 15.422 1 22.39 ? CG LEU B 29 1 -ATOM 3011 C CD1 . LEU F 3 29 . 39.795 42.264 16.788 1 13.4 ? CD1 LEU B 29 1 -ATOM 3012 C CD2 . LEU F 3 29 . 41.848 41.277 15.479 1 6 ? CD2 LEU B 29 1 -ATOM 3013 N N . ILE F 3 30 . 38.361 39.981 12.031 1 8.21 ? N ILE B 30 1 -ATOM 3014 C CA . ILE F 3 30 . 37.118 39.76 11.28 1 6.64 ? CA ILE B 30 1 -ATOM 3015 C C . ILE F 3 30 . 37.375 39.366 9.802 1 14.5 ? C ILE B 30 1 -ATOM 3016 O O . ILE F 3 30 . 38.346 39.835 9.198 1 8.89 ? O ILE B 30 1 -ATOM 3017 C CB . ILE F 3 30 . 36.272 41.042 11.312 1 12.51 ? CB ILE B 30 1 -ATOM 3018 C CG1 . ILE F 3 30 . 35.933 41.408 12.752 1 12.57 ? CG1 ILE B 30 1 -ATOM 3019 C CG2 . ILE F 3 30 . 35.016 40.842 10.538 1 10.78 ? CG2 ILE B 30 1 -ATOM 3020 C CD1 . ILE F 3 30 . 34.92 42.511 12.843 1 6 ? CD1 ILE B 30 1 -ATOM 3021 N N . HIS F 3 31 . 36.509 38.514 9.235 1 7.83 ? N HIS B 31 1 -ATOM 3022 C CA . HIS F 3 31 . 36.632 38.072 7.842 1 14.58 ? CA HIS B 31 1 -ATOM 3023 C C . HIS F 3 31 . 35.425 38.523 7.03 1 17.66 ? C HIS B 31 1 -ATOM 3024 O O . HIS F 3 31 . 34.288 38.497 7.512 1 24.15 ? O HIS B 31 1 -ATOM 3025 C CB . HIS F 3 31 . 36.697 36.523 7.7 1 31.78 ? CB HIS B 31 1 -ATOM 3026 C CG . HIS F 3 31 . 38.009 35.895 8.074 1 37.88 ? CG HIS B 31 1 -ATOM 3027 N ND1 . HIS F 3 31 . 38.341 35.561 9.372 1 39.86 ? ND1 HIS B 31 1 -ATOM 3028 C CD2 . HIS F 3 31 . 39.07 35.531 7.31 1 46.34 ? CD2 HIS B 31 1 -ATOM 3029 C CE1 . HIS F 3 31 . 39.549 35.021 9.39 1 41.14 ? CE1 HIS B 31 1 -ATOM 3030 N NE2 . HIS F 3 31 . 40.015 34.991 8.154 1 37.98 ? NE2 HIS B 31 1 -ATOM 3031 N N . GLN F 3 32 . 35.636 38.909 5.781 1 23.12 ? N GLN B 32 1 -ATOM 3032 C CA . GLN F 3 32 . 34.471 39.302 5.006 1 27.47 ? CA GLN B 32 1 -ATOM 3033 C C . GLN F 3 32 . 33.542 38.136 4.834 1 27.1 ? C GLN B 32 1 -ATOM 3034 O O . GLN F 3 32 . 34.002 37.025 4.604 1 38.08 ? O GLN B 32 1 -ATOM 3035 C CB . GLN F 3 32 . 34.827 39.783 3.605 1 32.49 ? CB GLN B 32 1 -ATOM 3036 C CG . GLN F 3 32 . 35.245 41.228 3.504 1 39.62 ? CG GLN B 32 1 -ATOM 3037 C CD . GLN F 3 32 . 34.943 41.821 2.134 1 38.88 ? CD GLN B 32 1 -ATOM 3038 O OE1 . GLN F 3 32 . 33.786 41.847 1.705 1 35.87 ? OE1 GLN B 32 1 -ATOM 3039 N NE2 . GLN F 3 32 . 35.977 42.309 1.445 1 43.99 ? NE2 GLN B 32 1 -ATOM 3040 N N . GLY F 3 33 . 32.251 38.383 4.985 1 19.84 ? N GLY B 33 1 -ATOM 3041 C CA . GLY F 3 33 . 31.256 37.359 4.727 1 14.69 ? CA GLY B 33 1 -ATOM 3042 C C . GLY F 3 33 . 30.89 36.465 5.891 1 18.41 ? C GLY B 33 1 -ATOM 3043 O O . GLY F 3 33 . 29.826 35.823 5.82 1 21.7 ? O GLY B 33 1 -ATOM 3044 N N . GLU F 3 34 . 31.728 36.395 6.927 1 11.4 ? N GLU B 34 1 -ATOM 3045 C CA . GLU F 3 34 . 31.463 35.538 8.085 1 11.02 ? CA GLU B 34 1 -ATOM 3046 C C . GLU F 3 34 . 30.179 36.038 8.678 1 11.2 ? C GLU B 34 1 -ATOM 3047 O O . GLU F 3 34 . 29.91 37.206 8.539 1 24.91 ? O GLU B 34 1 -ATOM 3048 C CB . GLU F 3 34 . 32.698 35.651 9.006 1 20.14 ? CB GLU B 34 1 -ATOM 3049 C CG . GLU F 3 34 . 32.679 35.007 10.403 1 37.34 ? CG GLU B 34 1 -ATOM 3050 C CD . GLU F 3 34 . 32.15 35.977 11.461 1 41.39 ? CD GLU B 34 1 -ATOM 3051 O OE1 . GLU F 3 34 . 30.928 35.972 11.661 1 36.54 ? OE1 GLU B 34 1 -ATOM 3052 O OE2 . GLU F 3 34 . 32.944 36.754 12.073 1 37.97 ? OE2 GLU B 34 1 -ATOM 3053 N N . LYS F 3 35 . 29.359 35.184 9.294 1 29.11 ? N LYS B 35 1 -ATOM 3054 C CA . LYS F 3 35 . 28.042 35.638 9.8 1 34.78 ? CA LYS B 35 1 -ATOM 3055 C C . LYS F 3 35 . 28.166 36.4 11.121 1 35.6 ? C LYS B 35 1 -ATOM 3056 O O . LYS F 3 35 . 28.685 35.915 12.129 1 29.45 ? O LYS B 35 1 -ATOM 3057 C CB . LYS F 3 35 . 27.069 34.423 9.962 1 33.41 ? CB LYS B 35 1 -ATOM 3058 C CG . LYS F 3 35 . 27.248 33.48 11.157 1 26.13 ? CG LYS B 35 1 -ATOM 3059 C CD . LYS F 3 35 . 28.69 32.949 11.277 1 41.93 ? CD LYS B 35 1 -ATOM 3060 C CE . LYS F 3 35 . 29.021 31.6 10.585 1 46.62 ? CE LYS B 35 1 -ATOM 3061 N NZ . LYS F 3 35 . 28.726 30.406 11.477 1 44.71 ? NZ LYS B 35 1 -ATOM 3062 N N . ALA F 3 36 . 27.643 37.619 11.074 1 37.64 ? N ALA B 36 1 -ATOM 3063 C CA . ALA F 3 36 . 27.747 38.576 12.148 1 33.6 ? CA ALA B 36 1 -ATOM 3064 C C . ALA F 3 36 . 26.949 38.271 13.383 1 29.25 ? C ALA B 36 1 -ATOM 3065 O O . ALA F 3 36 . 25.741 38.42 13.363 1 26.96 ? O ALA B 36 1 -ATOM 3066 C CB . ALA F 3 36 . 27.347 39.9 11.624 1 27.74 ? CB ALA B 36 1 -ATOM 3067 N N . GLU F 3 37 . 27.636 37.904 14.467 1 37.26 ? N GLU B 37 1 -ATOM 3068 C CA . GLU F 3 37 . 26.992 37.622 15.753 1 37.4 ? CA GLU B 37 1 -ATOM 3069 C C . GLU F 3 37 . 27.598 38.398 16.951 1 35.41 ? C GLU B 37 1 -ATOM 3070 O O . GLU F 3 37 . 26.9 38.592 17.954 1 34.05 ? O GLU B 37 1 -ATOM 3071 C CB . GLU F 3 37 . 27.069 36.124 16.067 1 34.07 ? CB GLU B 37 1 -ATOM 3072 C CG . GLU F 3 37 . 25.95 35.68 16.987 1 44.03 ? CG GLU B 37 1 -ATOM 3073 C CD . GLU F 3 37 . 24.6 35.877 16.308 1 50.13 ? CD GLU B 37 1 -ATOM 3074 O OE1 . GLU F 3 37 . 24.542 35.59 15.087 1 53.63 ? OE1 GLU B 37 1 -ATOM 3075 O OE2 . GLU F 3 37 . 23.613 36.313 16.957 1 45.09 ? OE2 GLU B 37 1 -ATOM 3076 N N . THR F 3 38 . 28.856 38.842 16.861 1 27.87 ? N THR B 38 1 -ATOM 3077 C CA . THR F 3 38 . 29.537 39.546 17.968 1 26.76 ? CA THR B 38 1 -ATOM 3078 C C . THR F 3 38 . 29.883 41.022 17.769 1 25.94 ? C THR B 38 1 -ATOM 3079 O O . THR F 3 38 . 30.399 41.38 16.714 1 25.29 ? O THR B 38 1 -ATOM 3080 C CB . THR F 3 38 . 30.837 38.899 18.285 1 29.73 ? CB THR B 38 1 -ATOM 3081 O OG1 . THR F 3 38 . 31.516 38.66 17.043 1 36.73 ? OG1 THR B 38 1 -ATOM 3082 C CG2 . THR F 3 38 . 30.638 37.596 19.036 1 46.43 ? CG2 THR B 38 1 -ATOM 3083 N N . LEU F 3 39 . 29.636 41.875 18.766 1 20.3 ? N LEU B 39 1 -ATOM 3084 C CA . LEU F 3 39 . 30.067 43.285 18.663 1 19.19 ? CA LEU B 39 1 -ATOM 3085 C C . LEU F 3 39 . 31.437 43.296 19.303 1 19.01 ? C LEU B 39 1 -ATOM 3086 O O . LEU F 3 39 . 31.714 42.361 20.046 1 30.91 ? O LEU B 39 1 -ATOM 3087 C CB . LEU F 3 39 . 29.139 44.271 19.445 1 18.04 ? CB LEU B 39 1 -ATOM 3088 C CG . LEU F 3 39 . 29.412 45.805 19.28 1 29.51 ? CG LEU B 39 1 -ATOM 3089 C CD1 . LEU F 3 39 . 29.04 46.325 17.857 1 18.65 ? CD1 LEU B 39 1 -ATOM 3090 C CD2 . LEU F 3 39 . 28.502 46.573 20.236 1 24.87 ? CD2 LEU B 39 1 -ATOM 3091 N N . TYR F 3 40 . 32.296 44.277 19.021 1 13.99 ? N TYR B 40 1 -ATOM 3092 C CA . TYR F 3 40 . 33.615 44.346 19.666 1 12.21 ? CA TYR B 40 1 -ATOM 3093 C C . TYR F 3 40 . 33.865 45.747 20.132 1 18.07 ? C TYR B 40 1 -ATOM 3094 O O . TYR F 3 40 . 33.082 46.648 19.864 1 23.15 ? O TYR B 40 1 -ATOM 3095 C CB . TYR F 3 40 . 34.808 44.036 18.761 1 12.84 ? CB TYR B 40 1 -ATOM 3096 C CG . TYR F 3 40 . 34.866 42.655 18.16 1 25.14 ? CG TYR B 40 1 -ATOM 3097 C CD1 . TYR F 3 40 . 33.798 42.141 17.429 1 23.5 ? CD1 TYR B 40 1 -ATOM 3098 C CD2 . TYR F 3 40 . 36.007 41.873 18.281 1 21.33 ? CD2 TYR B 40 1 -ATOM 3099 C CE1 . TYR F 3 40 . 33.876 40.888 16.835 1 27.68 ? CE1 TYR B 40 1 -ATOM 3100 C CE2 . TYR F 3 40 . 36.095 40.638 17.696 1 17.24 ? CE2 TYR B 40 1 -ATOM 3101 C CZ . TYR F 3 40 . 35.035 40.148 16.974 1 25.99 ? CZ TYR B 40 1 -ATOM 3102 O OH . TYR F 3 40 . 35.131 38.92 16.36 1 37.56 ? OH TYR B 40 1 -ATOM 3103 N N . TYR F 3 41 . 34.989 45.912 20.81 1 17.64 ? N TYR B 41 1 -ATOM 3104 C CA . TYR F 3 41 . 35.39 47.188 21.323 1 18.09 ? CA TYR B 41 1 -ATOM 3105 C C . TYR F 3 41 . 36.905 47.137 21.464 1 19.55 ? C TYR B 41 1 -ATOM 3106 O O . TYR F 3 41 . 37.493 46.182 21.98 1 20.17 ? O TYR B 41 1 -ATOM 3107 C CB . TYR F 3 41 . 34.744 47.478 22.709 1 16.69 ? CB TYR B 41 1 -ATOM 3108 C CG . TYR F 3 41 . 34.989 48.923 23.223 1 21.47 ? CG TYR B 41 1 -ATOM 3109 C CD1 . TYR F 3 41 . 36.216 49.298 23.795 1 24.01 ? CD1 TYR B 41 1 -ATOM 3110 C CD2 . TYR F 3 41 . 34.019 49.924 23.067 1 24.72 ? CD2 TYR B 41 1 -ATOM 3111 C CE1 . TYR F 3 41 . 36.472 50.63 24.19 1 28.2 ? CE1 TYR B 41 1 -ATOM 3112 C CE2 . TYR F 3 41 . 34.257 51.251 23.454 1 18.88 ? CE2 TYR B 41 1 -ATOM 3113 C CZ . TYR F 3 41 . 35.489 51.603 24.008 1 26.14 ? CZ TYR B 41 1 -ATOM 3114 O OH . TYR F 3 41 . 35.754 52.921 24.322 1 18.15 ? OH TYR B 41 1 -ATOM 3115 N N . ILE F 3 42 . 37.535 48.178 20.951 1 24.33 ? N ILE B 42 1 -ATOM 3116 C CA . ILE F 3 42 . 38.95 48.292 21.024 1 15.99 ? CA ILE B 42 1 -ATOM 3117 C C . ILE F 3 42 . 39.316 48.925 22.347 1 24.16 ? C ILE B 42 1 -ATOM 3118 O O . ILE F 3 42 . 39.129 50.143 22.565 1 13.38 ? O ILE B 42 1 -ATOM 3119 C CB . ILE F 3 42 . 39.462 49.144 19.929 1 6 ? CB ILE B 42 1 -ATOM 3120 C CG1 . ILE F 3 42 . 39.118 48.519 18.601 1 8.63 ? CG1 ILE B 42 1 -ATOM 3121 C CG2 . ILE F 3 42 . 40.947 49.253 20.044 1 9.34 ? CG2 ILE B 42 1 -ATOM 3122 C CD1 . ILE F 3 42 . 39.994 49.009 17.549 1 6 ? CD1 ILE B 42 1 -ATOM 3123 N N . VAL F 3 43 . 39.803 48.083 23.245 1 23.12 ? N VAL B 43 1 -ATOM 3124 C CA . VAL F 3 43 . 40.201 48.557 24.536 1 24.99 ? CA VAL B 43 1 -ATOM 3125 C C . VAL F 3 43 . 41.634 49.036 24.471 1 26.85 ? C VAL B 43 1 -ATOM 3126 O O . VAL F 3 43 . 42.006 49.966 25.172 1 28.87 ? O VAL B 43 1 -ATOM 3127 C CB . VAL F 3 43 . 40.041 47.448 25.551 1 27.06 ? CB VAL B 43 1 -ATOM 3128 C CG1 . VAL F 3 43 . 40.319 47.98 26.911 1 38.37 ? CG1 VAL B 43 1 -ATOM 3129 C CG2 . VAL F 3 43 . 38.607 46.937 25.538 1 32.14 ? CG2 VAL B 43 1 -ATOM 3130 N N . LYS F 3 44 . 42.458 48.413 23.64 1 22.08 ? N LYS B 44 1 -ATOM 3131 C CA . LYS F 3 44 . 43.837 48.902 23.472 1 21.38 ? CA LYS B 44 1 -ATOM 3132 C C . LYS F 3 44 . 44.265 48.727 22.008 1 27.33 ? C LYS B 44 1 -ATOM 3133 O O . LYS F 3 44 . 43.808 47.789 21.329 1 23.27 ? O LYS B 44 1 -ATOM 3134 C CB . LYS F 3 44 . 44.825 48.125 24.338 1 25.14 ? CB LYS B 44 1 -ATOM 3135 C CG . LYS F 3 44 . 46.302 48.428 23.98 1 26.68 ? CG LYS B 44 1 -ATOM 3136 C CD . LYS F 3 44 . 47.344 47.413 24.54 1 38.05 ? CD LYS B 44 1 -ATOM 3137 C CE . LYS F 3 44 . 48.782 47.559 23.908 1 28.9 ? CE LYS B 44 1 -ATOM 3138 N NZ . LYS F 3 44 . 48.791 47.436 22.399 1 32.56 ? NZ LYS B 44 1 -ATOM 3139 N N . GLY F 3 45 . 45.093 49.643 21.511 1 27.69 ? N GLY B 45 1 -ATOM 3140 C CA . GLY F 3 45 . 45.607 49.486 20.163 1 28.58 ? CA GLY B 45 1 -ATOM 3141 C C . GLY F 3 45 . 44.734 49.986 19.007 1 31.4 ? C GLY B 45 1 -ATOM 3142 O O . GLY F 3 45 . 43.73 50.707 19.2 1 26.3 ? O GLY B 45 1 -ATOM 3143 N N . SER F 3 46 . 45.123 49.522 17.808 1 25.84 ? N SER B 46 1 -ATOM 3144 C CA . SER F 3 46 . 44.548 49.916 16.525 1 23.41 ? CA SER B 46 1 -ATOM 3145 C C . SER F 3 46 . 44.401 48.786 15.488 1 23.3 ? C SER B 46 1 -ATOM 3146 O O . SER F 3 46 . 45.203 47.852 15.37 1 15.38 ? O SER B 46 1 -ATOM 3147 C CB . SER F 3 46 . 45.411 50.998 15.954 1 25.29 ? CB SER B 46 1 -ATOM 3148 O OG . SER F 3 46 . 46.747 50.559 16.103 1 30.58 ? OG SER B 46 1 -ATOM 3149 N N . VAL F 3 47 . 43.436 48.972 14.617 1 23.91 ? N VAL B 47 1 -ATOM 3150 C CA . VAL F 3 47 . 43.111 47.928 13.707 1 18.4 ? CA VAL B 47 1 -ATOM 3151 C C . VAL F 3 47 . 42.934 48.53 12.282 1 21.5 ? C VAL B 47 1 -ATOM 3152 O O . VAL F 3 47 . 42.908 49.768 12.099 1 12.27 ? O VAL B 47 1 -ATOM 3153 C CB . VAL F 3 47 . 41.877 47.332 14.356 1 12.57 ? CB VAL B 47 1 -ATOM 3154 C CG1 . VAL F 3 47 . 40.662 48.133 13.908 1 6 ? CG1 VAL B 47 1 -ATOM 3155 C CG2 . VAL F 3 47 . 41.812 45.873 14.09 1 11.73 ? CG2 VAL B 47 1 -ATOM 3156 N N . ALA F 3 48 . 42.815 47.689 11.254 1 19.58 ? N ALA B 48 1 -ATOM 3157 C CA . ALA F 3 48 . 42.62 48.224 9.889 1 18.16 ? CA ALA B 48 1 -ATOM 3158 C C . ALA F 3 48 . 41.416 47.591 9.235 1 12.82 ? C ALA B 48 1 -ATOM 3159 O O . ALA F 3 48 . 41.222 46.393 9.357 1 18.01 ? O ALA B 48 1 -ATOM 3160 C CB . ALA F 3 48 . 43.837 47.953 9.035 1 18.92 ? CB ALA B 48 1 -ATOM 3161 N N . VAL F 3 49 . 40.584 48.406 8.594 1 12.15 ? N VAL B 49 1 -ATOM 3162 C CA . VAL F 3 49 . 39.412 47.93 7.854 1 13.55 ? CA VAL B 49 1 -ATOM 3163 C C . VAL F 3 49 . 39.791 48.031 6.377 1 11.33 ? C VAL B 49 1 -ATOM 3164 O O . VAL F 3 49 . 40.3 49.07 5.937 1 13.71 ? O VAL B 49 1 -ATOM 3165 C CB . VAL F 3 49 . 38.162 48.806 8.098 1 6 ? CB VAL B 49 1 -ATOM 3166 C CG1 . VAL F 3 49 . 36.94 48.068 7.601 1 11.71 ? CG1 VAL B 49 1 -ATOM 3167 C CG2 . VAL F 3 49 . 37.996 49.093 9.569 1 6 ? CG2 VAL B 49 1 -ATOM 3168 N N . LEU F 3 50 . 39.586 46.948 5.636 1 10.77 ? N LEU B 50 1 -ATOM 3169 C CA . LEU F 3 50 . 39.945 46.858 4.214 1 6.94 ? CA LEU B 50 1 -ATOM 3170 C C . LEU F 3 50 . 39.058 45.828 3.537 1 11.14 ? C LEU B 50 1 -ATOM 3171 O O . LEU F 3 50 . 38.56 44.909 4.166 1 9.61 ? O LEU B 50 1 -ATOM 3172 C CB . LEU F 3 50 . 41.453 46.48 4.074 1 6.19 ? CB LEU B 50 1 -ATOM 3173 C CG . LEU F 3 50 . 42.077 45.452 5.035 1 6.38 ? CG LEU B 50 1 -ATOM 3174 C CD1 . LEU F 3 50 . 41.565 44.092 4.679 1 12.15 ? CD1 LEU B 50 1 -ATOM 3175 C CD2 . LEU F 3 50 . 43.557 45.502 4.971 1 6 ? CD2 LEU B 50 1 -ATOM 3176 N N . ILE F 3 51 . 38.791 46.027 2.256 1 11.74 ? N ILE B 51 1 -ATOM 3177 C CA . ILE F 3 51 . 37.966 45.095 1.516 1 7.46 ? CA ILE B 51 1 -ATOM 3178 C C . ILE F 3 51 . 38.721 44.506 0.358 1 12.57 ? C ILE B 51 1 -ATOM 3179 O O . ILE F 3 51 . 39.834 44.945 0.05 1 11.22 ? O ILE B 51 1 -ATOM 3180 C CB . ILE F 3 51 . 36.791 45.783 1.017 1 13.08 ? CB ILE B 51 1 -ATOM 3181 C CG1 . ILE F 3 51 . 37.187 46.733 -0.105 1 18.13 ? CG1 ILE B 51 1 -ATOM 3182 C CG2 . ILE F 3 51 . 36.134 46.418 2.205 1 6.59 ? CG2 ILE B 51 1 -ATOM 3183 C CD1 . ILE F 3 51 . 36.053 47.63 -0.512 1 15.17 ? CD1 ILE B 51 1 -ATOM 3184 N N . LYS F 3 52 . 38.078 43.546 -0.31 1 19.11 ? N LYS B 52 1 -ATOM 3185 C CA . LYS F 3 52 . 38.785 42.744 -1.317 1 19.34 ? CA LYS B 52 1 -ATOM 3186 C C . LYS F 3 52 . 37.98 42.22 -2.478 1 21.18 ? C LYS B 52 1 -ATOM 3187 O O . LYS F 3 52 . 36.924 41.604 -2.316 1 21.23 ? O LYS B 52 1 -ATOM 3188 C CB . LYS F 3 52 . 39.454 41.535 -0.634 1 19.36 ? CB LYS B 52 1 -ATOM 3189 C CG . LYS F 3 52 . 40.643 41.901 0.251 1 25.77 ? CG LYS B 52 1 -ATOM 3190 C CD . LYS F 3 52 . 41.416 40.68 0.788 1 37.87 ? CD LYS B 52 1 -ATOM 3191 C CE . LYS F 3 52 . 42.042 39.749 -0.291 1 40.35 ? CE LYS B 52 1 -ATOM 3192 N NZ . LYS F 3 52 . 41.07 38.875 -1.051 1 39.02 ? NZ LYS B 52 1 -ATOM 3193 N N . ASP F 3 53 . 38.57 42.455 -3.64 1 26.2 ? N ASP B 53 1 -ATOM 3194 C CA . ASP F 3 53 . 38.104 42.053 -4.959 1 30.19 ? CA ASP B 53 1 -ATOM 3195 C C . ASP F 3 53 . 38.496 40.589 -5.179 1 30.81 ? C ASP B 53 1 -ATOM 3196 O O . ASP F 3 53 . 39.64 40.22 -4.873 1 27.23 ? O ASP B 53 1 -ATOM 3197 C CB . ASP F 3 53 . 38.762 42.942 -6.005 1 25.68 ? CB ASP B 53 1 -ATOM 3198 C CG . ASP F 3 53 . 38.228 42.693 -7.384 1 36.79 ? CG ASP B 53 1 -ATOM 3199 O OD1 . ASP F 3 53 . 37.026 42.975 -7.605 1 42.51 ? OD1 ASP B 53 1 -ATOM 3200 O OD2 . ASP F 3 53 . 39.002 42.23 -8.249 1 45.65 ? OD2 ASP B 53 1 -ATOM 3201 N N . GLU F 3 54 . 37.597 39.776 -5.756 1 33.39 ? N GLU B 54 1 -ATOM 3202 C CA . GLU F 3 54 . 37.875 38.341 -5.909 1 27.12 ? CA GLU B 54 1 -ATOM 3203 C C . GLU F 3 54 . 39.2 38.062 -6.52 1 23.49 ? C GLU B 54 1 -ATOM 3204 O O . GLU F 3 54 . 39.76 37.039 -6.234 1 28.23 ? O GLU B 54 1 -ATOM 3205 C CB . GLU F 3 54 . 36.845 37.643 -6.755 1 16.71 ? CB GLU B 54 1 -ATOM 3206 C CG . GLU F 3 54 . 35.473 37.551 -6.065 1 29.08 ? CG GLU B 54 1 -ATOM 3207 C CD . GLU F 3 54 . 34.559 38.772 -6.287 1 32.03 ? CD GLU B 54 1 -ATOM 3208 O OE1 . GLU F 3 54 . 35.049 39.793 -6.812 1 41.53 ? OE1 GLU B 54 1 -ATOM 3209 O OE2 . GLU F 3 54 . 33.345 38.709 -5.948 1 40.23 ? OE2 GLU B 54 1 -ATOM 3210 N N . GLU F 3 55 . 39.717 38.944 -7.357 1 29.88 ? N GLU B 55 1 -ATOM 3211 C CA . GLU F 3 55 . 41.053 38.716 -7.898 1 27.36 ? CA GLU B 55 1 -ATOM 3212 C C . GLU F 3 55 . 42.194 39.327 -6.987 1 33.84 ? C GLU B 55 1 -ATOM 3213 O O . GLU F 3 55 . 43.204 39.895 -7.454 1 34.61 ? O GLU B 55 1 -ATOM 3214 C CB . GLU F 3 55 . 41.048 39.272 -9.365 1 31.87 ? CB GLU B 55 1 -ATOM 3215 C CG . GLU F 3 55 . 40.299 38.286 -10.351 1 34.09 ? CG GLU B 55 1 -ATOM 3216 C CD . GLU F 3 55 . 40.226 38.613 -11.906 1 22.81 ? CD GLU B 55 1 -ATOM 3217 O OE1 . GLU F 3 55 . 39.095 38.553 -12.481 1 11.57 ? OE1 GLU B 55 1 -ATOM 3218 O OE2 . GLU F 3 55 . 41.263 38.889 -12.549 1 20.61 ? OE2 GLU B 55 1 -ATOM 3219 N N . GLY F 3 56 . 41.924 39.262 -5.67 1 34.34 ? N GLY B 56 1 -ATOM 3220 C CA . GLY F 3 56 . 42.846 39.548 -4.563 1 34.74 ? CA GLY B 56 1 -ATOM 3221 C C . GLY F 3 56 . 43.178 41.041 -4.316 1 32.65 ? C GLY B 56 1 -ATOM 3222 O O . GLY F 3 56 . 43.756 41.264 -3.217 1 32.52 ? O GLY B 56 1 -ATOM 3223 N N . LYS F 3 57 . 42.911 42.066 -5.137 1 26.26 ? N LYS B 57 1 -ATOM 3224 C CA . LYS F 3 57 . 43.391 43.403 -4.706 1 25.49 ? CA LYS B 57 1 -ATOM 3225 C C . LYS F 3 57 . 42.632 43.931 -3.493 1 27.11 ? C LYS B 57 1 -ATOM 3226 O O . LYS F 3 57 . 41.417 43.775 -3.419 1 35.63 ? O LYS B 57 1 -ATOM 3227 C CB . LYS F 3 57 . 43.238 44.455 -5.817 1 34.4 ? CB LYS B 57 1 -ATOM 3228 C CG . LYS F 3 57 . 44.01 45.775 -5.492 1 45.06 ? CG LYS B 57 1 -ATOM 3229 C CD . LYS F 3 57 . 43.682 46.962 -6.443 1 49.96 ? CD LYS B 57 1 -ATOM 3230 C CE . LYS F 3 57 . 44.602 48.204 -6.222 1 50.3 ? CE LYS B 57 1 -ATOM 3231 N NZ . LYS F 3 57 . 44.754 48.758 -4.816 1 53.01 ? NZ LYS B 57 1 -ATOM 3232 N N . GLU F 3 58 . 43.325 44.588 -2.573 1 19.02 ? N GLU B 58 1 -ATOM 3233 C CA . GLU F 3 58 . 42.678 45.111 -1.361 1 23.13 ? CA GLU B 58 1 -ATOM 3234 C C . GLU F 3 58 . 42.848 46.653 -1.155 1 21.01 ? C GLU B 58 1 -ATOM 3235 O O . GLU F 3 58 . 43.859 47.242 -1.523 1 27.24 ? O GLU B 58 1 -ATOM 3236 C CB . GLU F 3 58 . 43.229 44.336 -0.119 1 19.43 ? CB GLU B 58 1 -ATOM 3237 C CG . GLU F 3 58 . 44.756 44.184 -0.022 1 25.1 ? CG GLU B 58 1 -ATOM 3238 C CD . GLU F 3 58 . 45.286 43.756 1.376 1 39.64 ? CD GLU B 58 1 -ATOM 3239 O OE1 . GLU F 3 58 . 46.506 43.43 1.495 1 27.81 ? OE1 GLU B 58 1 -ATOM 3240 O OE2 . GLU F 3 58 . 44.501 43.765 2.363 1 37.17 ? OE2 GLU B 58 1 -ATOM 3241 N N . MET F 3 59 . 41.838 47.291 -0.57 1 17.17 ? N MET B 59 1 -ATOM 3242 C CA . MET F 3 59 . 41.868 48.719 -0.284 1 22.52 ? CA MET B 59 1 -ATOM 3243 C C . MET F 3 59 . 41.525 49.025 1.176 1 19.46 ? C MET B 59 1 -ATOM 3244 O O . MET F 3 59 . 40.489 48.568 1.669 1 25.81 ? O MET B 59 1 -ATOM 3245 C CB . MET F 3 59 . 40.865 49.486 -1.148 1 18.54 ? CB MET B 59 1 -ATOM 3246 C CG . MET F 3 59 . 40.577 50.888 -0.552 1 16.58 ? CG MET B 59 1 -ATOM 3247 S SD . MET F 3 59 . 39.765 51.973 -1.66 1 24.4 ? SD MET B 59 1 -ATOM 3248 C CE . MET F 3 59 . 41.098 52.317 -2.718 1 12.75 ? CE MET B 59 1 -ATOM 3249 N N . ILE F 3 60 . 42.371 49.78 1.869 1 7.29 ? N ILE B 60 1 -ATOM 3250 C CA . ILE F 3 60 . 42.077 50.161 3.238 1 6.04 ? CA ILE B 60 1 -ATOM 3251 C C . ILE F 3 60 . 40.94 51.21 3.259 1 10.95 ? C ILE B 60 1 -ATOM 3252 O O . ILE F 3 60 . 40.985 52.216 2.551 1 11.67 ? O ILE B 60 1 -ATOM 3253 C CB . ILE F 3 60 . 43.3 50.794 3.925 1 13.66 ? CB ILE B 60 1 -ATOM 3254 C CG1 . ILE F 3 60 . 44.463 49.826 3.993 1 6 ? CG1 ILE B 60 1 -ATOM 3255 C CG2 . ILE F 3 60 . 42.93 51.157 5.355 1 21.06 ? CG2 ILE B 60 1 -ATOM 3256 C CD1 . ILE F 3 60 . 45.696 50.496 4.602 1 14.81 ? CD1 ILE B 60 1 -ATOM 3257 N N . LEU F 3 61 . 39.905 50.985 4.051 1 17.71 ? N LEU B 61 1 -ATOM 3258 C CA . LEU F 3 61 . 38.808 51.955 4.198 1 20.92 ? CA LEU B 61 1 -ATOM 3259 C C . LEU F 3 61 . 39.023 52.858 5.4 1 19.76 ? C LEU B 61 1 -ATOM 3260 O O . LEU F 3 61 . 38.563 53.996 5.423 1 12.83 ? O LEU B 61 1 -ATOM 3261 C CB . LEU F 3 61 . 37.491 51.278 4.426 1 12.38 ? CB LEU B 61 1 -ATOM 3262 C CG . LEU F 3 61 . 36.887 50.646 3.219 1 16 ? CG LEU B 61 1 -ATOM 3263 C CD1 . LEU F 3 61 . 35.953 49.541 3.63 1 14.17 ? CD1 LEU B 61 1 -ATOM 3264 C CD2 . LEU F 3 61 . 36.229 51.734 2.433 1 16.33 ? CD2 LEU B 61 1 -ATOM 3265 N N . SER F 3 62 . 39.683 52.334 6.423 1 20.82 ? N SER B 62 1 -ATOM 3266 C CA . SER F 3 62 . 39.967 53.177 7.551 1 15.96 ? CA SER B 62 1 -ATOM 3267 C C . SER F 3 62 . 40.767 52.466 8.61 1 15.64 ? C SER B 62 1 -ATOM 3268 O O . SER F 3 62 . 40.827 51.255 8.707 1 21.79 ? O SER B 62 1 -ATOM 3269 C CB . SER F 3 62 . 38.64 53.662 8.133 1 13.8 ? CB SER B 62 1 -ATOM 3270 O OG . SER F 3 62 . 38.821 54.279 9.372 1 19.6 ? OG SER B 62 1 -ATOM 3271 N N . TYR F 3 63 . 41.3 53.259 9.484 1 18.85 ? N TYR B 63 1 -ATOM 3272 C CA . TYR F 3 63 . 42.024 52.806 10.627 1 12.36 ? CA TYR B 63 1 -ATOM 3273 C C . TYR F 3 63 . 41.054 53.069 11.788 1 16.68 ? C TYR B 63 1 -ATOM 3274 O O . TYR F 3 63 . 40.289 54.038 11.792 1 9.24 ? O TYR B 63 1 -ATOM 3275 C CB . TYR F 3 63 . 43.306 53.621 10.773 1 15.22 ? CB TYR B 63 1 -ATOM 3276 C CG . TYR F 3 63 . 44.355 53.374 9.706 1 13.93 ? CG TYR B 63 1 -ATOM 3277 C CD1 . TYR F 3 63 . 44.484 52.121 9.111 1 15.08 ? CD1 TYR B 63 1 -ATOM 3278 C CD2 . TYR F 3 63 . 45.236 54.372 9.312 1 7.17 ? CD2 TYR B 63 1 -ATOM 3279 C CE1 . TYR F 3 63 . 45.481 51.858 8.141 1 13.67 ? CE1 TYR B 63 1 -ATOM 3280 C CE2 . TYR F 3 63 . 46.24 54.119 8.34 1 17.99 ? CE2 TYR B 63 1 -ATOM 3281 C CZ . TYR F 3 63 . 46.348 52.845 7.765 1 13.74 ? CZ TYR B 63 1 -ATOM 3282 O OH . TYR F 3 63 . 47.312 52.533 6.845 1 15.67 ? OH TYR B 63 1 -ATOM 3283 N N . LEU F 3 64 . 41.028 52.163 12.742 1 13.42 ? N LEU B 64 1 -ATOM 3284 C CA . LEU F 3 64 . 40.173 52.321 13.871 1 6 ? CA LEU B 64 1 -ATOM 3285 C C . LEU F 3 64 . 41.118 52.302 15.015 1 10.53 ? C LEU B 64 1 -ATOM 3286 O O . LEU F 3 64 . 42.287 51.868 14.834 1 6 ? O LEU B 64 1 -ATOM 3287 C CB . LEU F 3 64 . 39.209 51.173 13.889 1 6 ? CB LEU B 64 1 -ATOM 3288 C CG . LEU F 3 64 . 37.769 51.605 13.688 1 9.4 ? CG LEU B 64 1 -ATOM 3289 C CD1 . LEU F 3 64 . 37.715 52.775 12.673 1 8.66 ? CD1 LEU B 64 1 -ATOM 3290 C CD2 . LEU F 3 64 . 36.961 50.387 13.297 1 11.27 ? CD2 LEU B 64 1 -ATOM 3291 N N . ASN F 3 65 . 40.662 52.75 16.179 1 11.14 ? N ASN B 65 1 -ATOM 3292 C CA . ASN F 3 65 . 41.557 52.792 17.334 1 12.99 ? CA ASN B 65 1 -ATOM 3293 C C . ASN F 3 65 . 40.805 52.551 18.649 1 19.41 ? C ASN B 65 1 -ATOM 3294 O O . ASN F 3 65 . 39.608 52.241 18.679 1 21.12 ? O ASN B 65 1 -ATOM 3295 C CB . ASN F 3 65 . 42.266 54.163 17.454 1 18.04 ? CB ASN B 65 1 -ATOM 3296 C CG . ASN F 3 65 . 43.116 54.564 16.218 1 14.22 ? CG ASN B 65 1 -ATOM 3297 O OD1 . ASN F 3 65 . 43.085 55.713 15.797 1 23.86 ? OD1 ASN B 65 1 -ATOM 3298 N ND2 . ASN F 3 65 . 43.876 53.642 15.667 1 26.92 ? ND2 ASN B 65 1 -ATOM 3299 N N . GLN F 3 66 . 41.547 52.687 19.738 1 19.41 ? N GLN B 66 1 -ATOM 3300 C CA . GLN F 3 66 . 41.035 52.575 21.099 1 15.88 ? CA GLN B 66 1 -ATOM 3301 C C . GLN F 3 66 . 39.91 53.54 21.254 1 14.7 ? C GLN B 66 1 -ATOM 3302 O O . GLN F 3 66 . 40.063 54.732 20.977 1 18.83 ? O GLN B 66 1 -ATOM 3303 C CB . GLN F 3 66 . 42.127 52.923 22.105 1 29.78 ? CB GLN B 66 1 -ATOM 3304 C CG . GLN F 3 66 . 41.669 53.195 23.527 1 40.62 ? CG GLN B 66 1 -ATOM 3305 C CD . GLN F 3 66 . 42.748 53.916 24.339 1 43.47 ? CD GLN B 66 1 -ATOM 3306 O OE1 . GLN F 3 66 . 42.45 54.856 25.083 1 42.58 ? OE1 GLN B 66 1 -ATOM 3307 N NE2 . GLN F 3 66 . 44.004 53.494 24.185 1 42.99 ? NE2 GLN B 66 1 -ATOM 3308 N N . GLY F 3 67 . 38.78 52.993 21.66 1 11.02 ? N GLY B 67 1 -ATOM 3309 C CA . GLY F 3 67 . 37.603 53.792 21.904 1 14.29 ? CA GLY B 67 1 -ATOM 3310 C C . GLY F 3 67 . 36.479 53.484 20.96 1 14.28 ? C GLY B 67 1 -ATOM 3311 O O . GLY F 3 67 . 35.299 53.633 21.313 1 10.03 ? O GLY B 67 1 -ATOM 3312 N N . ASP F 3 68 . 36.848 53.059 19.756 1 21.48 ? N ASP B 68 1 -ATOM 3313 C CA . ASP F 3 68 . 35.883 52.767 18.697 1 19.79 ? CA ASP B 68 1 -ATOM 3314 C C . ASP F 3 68 . 35.264 51.395 18.795 1 16.57 ? C ASP B 68 1 -ATOM 3315 O O . ASP F 3 68 . 35.892 50.481 19.265 1 21.37 ? O ASP B 68 1 -ATOM 3316 C CB . ASP F 3 68 . 36.56 52.898 17.338 1 21.73 ? CB ASP B 68 1 -ATOM 3317 C CG . ASP F 3 68 . 37.179 54.271 17.116 1 15.95 ? CG ASP B 68 1 -ATOM 3318 O OD1 . ASP F 3 68 . 36.657 55.276 17.697 1 16.67 ? OD1 ASP B 68 1 -ATOM 3319 O OD2 . ASP F 3 68 . 38.194 54.313 16.37 1 8.64 ? OD2 ASP B 68 1 -ATOM 3320 N N . PHE F 3 69 . 34.006 51.279 18.392 1 18.99 ? N PHE B 69 1 -ATOM 3321 C CA . PHE F 3 69 . 33.328 50.003 18.322 1 17.82 ? CA PHE B 69 1 -ATOM 3322 C C . PHE F 3 69 . 33.67 49.31 17.016 1 14.78 ? C PHE B 69 1 -ATOM 3323 O O . PHE F 3 69 . 34.076 49.972 16.079 1 19.91 ? O PHE B 69 1 -ATOM 3324 C CB . PHE F 3 69 . 31.865 50.189 18.359 1 21.54 ? CB PHE B 69 1 -ATOM 3325 C CG . PHE F 3 69 . 31.352 50.638 19.671 1 29.64 ? CG PHE B 69 1 -ATOM 3326 C CD1 . PHE F 3 69 . 31.032 49.705 20.649 1 24.31 ? CD1 PHE B 69 1 -ATOM 3327 C CD2 . PHE F 3 69 . 31.111 51.981 19.91 1 26.55 ? CD2 PHE B 69 1 -ATOM 3328 C CE1 . PHE F 3 69 . 30.476 50.105 21.827 1 24.04 ? CE1 PHE B 69 1 -ATOM 3329 C CE2 . PHE F 3 69 . 30.554 52.381 21.087 1 22.61 ? CE2 PHE B 69 1 -ATOM 3330 C CZ . PHE F 3 69 . 30.237 51.439 22.042 1 27.87 ? CZ PHE B 69 1 -ATOM 3331 N N . ILE F 3 70 . 33.499 47.992 16.947 1 19.16 ? N ILE B 70 1 -ATOM 3332 C CA . ILE F 3 70 . 33.81 47.256 15.708 1 22.22 ? CA ILE B 70 1 -ATOM 3333 C C . ILE F 3 70 . 32.724 46.253 15.325 1 17.94 ? C ILE B 70 1 -ATOM 3334 O O . ILE F 3 70 . 32.239 45.547 16.16 1 18.74 ? O ILE B 70 1 -ATOM 3335 C CB . ILE F 3 70 . 35.102 46.405 15.792 1 19.54 ? CB ILE B 70 1 -ATOM 3336 C CG1 . ILE F 3 70 . 36.309 47.236 16.163 1 21.44 ? CG1 ILE B 70 1 -ATOM 3337 C CG2 . ILE F 3 70 . 35.435 45.881 14.435 1 22.71 ? CG2 ILE B 70 1 -ATOM 3338 C CD1 . ILE F 3 70 . 37.578 46.374 16.21 1 17.03 ? CD1 ILE B 70 1 -ATOM 3339 N N . GLY F 3 71 . 32.335 46.173 14.069 1 15.7 ? N GLY B 71 1 -ATOM 3340 C CA . GLY F 3 71 . 31.372 45.153 13.719 1 12.9 ? CA GLY B 71 1 -ATOM 3341 C C . GLY F 3 71 . 29.995 45.481 14.195 1 15.55 ? C GLY B 71 1 -ATOM 3342 O O . GLY F 3 71 . 29.247 44.609 14.638 1 9.66 ? O GLY B 71 1 -ATOM 3343 N N . GLU F 3 72 . 29.643 46.753 14.061 1 13.06 ? N GLU B 72 1 -ATOM 3344 C CA . GLU F 3 72 . 28.35 47.204 14.506 1 9.98 ? CA GLU B 72 1 -ATOM 3345 C C . GLU F 3 72 . 27.288 47.121 13.467 1 6.3 ? C GLU B 72 1 -ATOM 3346 O O . GLU F 3 72 . 26.118 47.115 13.811 1 16.7 ? O GLU B 72 1 -ATOM 3347 C CB . GLU F 3 72 . 28.465 48.64 15.004 1 6.29 ? CB GLU B 72 1 -ATOM 3348 C CG . GLU F 3 72 . 29.806 49.291 14.717 1 6 ? CG GLU B 72 1 -ATOM 3349 C CD . GLU F 3 72 . 29.892 49.878 13.37 1 6 ? CD GLU B 72 1 -ATOM 3350 O OE1 . GLU F 3 72 . 30.948 49.814 12.732 1 6.8 ? OE1 GLU B 72 1 -ATOM 3351 O OE2 . GLU F 3 72 . 28.878 50.44 12.944 1 14.92 ? OE2 GLU B 72 1 -ATOM 3352 N N . LEU F 3 73 . 27.671 47.043 12.199 1 8.8 ? N LEU B 73 1 -ATOM 3353 C CA . LEU F 3 73 . 26.651 47.057 11.138 1 16.62 ? CA LEU B 73 1 -ATOM 3354 C C . LEU F 3 73 . 25.834 45.782 11.069 1 17.15 ? C LEU B 73 1 -ATOM 3355 O O . LEU F 3 73 . 24.689 45.783 10.573 1 25.19 ? O LEU B 73 1 -ATOM 3356 C CB . LEU F 3 73 . 27.292 47.302 9.757 1 14.65 ? CB LEU B 73 1 -ATOM 3357 C CG . LEU F 3 73 . 28.151 48.538 9.421 1 7.34 ? CG LEU B 73 1 -ATOM 3358 C CD1 . LEU F 3 73 . 27.485 49.81 9.909 1 6 ? CD1 LEU B 73 1 -ATOM 3359 C CD2 . LEU F 3 73 . 29.473 48.393 10.076 1 13.59 ? CD2 LEU B 73 1 -ATOM 3360 N N . GLY F 3 74 . 26.418 44.701 11.577 1 16.35 ? N GLY B 74 1 -ATOM 3361 C CA . GLY F 3 74 . 25.738 43.418 11.601 1 10.26 ? CA GLY B 74 1 -ATOM 3362 C C . GLY F 3 74 . 24.648 43.451 12.624 1 11.49 ? C GLY B 74 1 -ATOM 3363 O O . GLY F 3 74 . 23.621 42.826 12.444 1 17.33 ? O GLY B 74 1 -ATOM 3364 N N . LEU F 3 75 . 24.875 44.229 13.674 1 14.11 ? N LEU B 75 1 -ATOM 3365 C CA . LEU F 3 75 . 23.956 44.353 14.793 1 17.74 ? CA LEU B 75 1 -ATOM 3366 C C . LEU F 3 75 . 22.532 44.743 14.481 1 17.87 ? C LEU B 75 1 -ATOM 3367 O O . LEU F 3 75 . 21.652 44.306 15.211 1 16.33 ? O LEU B 75 1 -ATOM 3368 C CB . LEU F 3 75 . 24.467 45.374 15.804 1 21.9 ? CB LEU B 75 1 -ATOM 3369 C CG . LEU F 3 75 . 23.364 45.873 16.76 1 27.58 ? CG LEU B 75 1 -ATOM 3370 C CD1 . LEU F 3 75 . 23.023 44.804 17.822 1 30.23 ? CD1 LEU B 75 1 -ATOM 3371 C CD2 . LEU F 3 75 . 23.851 47.115 17.446 1 24.21 ? CD2 LEU B 75 1 -ATOM 3372 N N . PHE F 3 76 . 22.272 45.521 13.427 1 23.44 ? N PHE B 76 1 -ATOM 3373 C CA . PHE F 3 76 . 20.908 46.065 13.23 1 26.31 ? CA PHE B 76 1 -ATOM 3374 C C . PHE F 3 76 . 19.887 45.271 12.385 1 29.24 ? C PHE B 76 1 -ATOM 3375 O O . PHE F 3 76 . 18.776 45.758 12.248 1 20.81 ? O PHE B 76 1 -ATOM 3376 C CB . PHE F 3 76 . 21.059 47.504 12.686 1 18.51 ? CB PHE B 76 1 -ATOM 3377 C CG . PHE F 3 76 . 21.648 48.459 13.718 1 14.62 ? CG PHE B 76 1 -ATOM 3378 C CD1 . PHE F 3 76 . 20.827 49.156 14.593 1 20.69 ? CD1 PHE B 76 1 -ATOM 3379 C CD2 . PHE F 3 76 . 23.022 48.612 13.871 1 17.96 ? CD2 PHE B 76 1 -ATOM 3380 C CE1 . PHE F 3 76 . 21.347 49.977 15.599 1 9.37 ? CE1 PHE B 76 1 -ATOM 3381 C CE2 . PHE F 3 76 . 23.531 49.425 14.871 1 16.67 ? CE2 PHE B 76 1 -ATOM 3382 C CZ . PHE F 3 76 . 22.685 50.103 15.732 1 15.64 ? CZ PHE B 76 1 -ATOM 3383 N N . GLU F 3 77 . 20.173 44.074 11.868 1 36.81 ? N GLU B 77 1 -ATOM 3384 C CA . GLU F 3 77 . 19.156 43.307 11.109 1 39.12 ? CA GLU B 77 1 -ATOM 3385 C C . GLU F 3 77 . 19.249 41.774 11.235 1 44.95 ? C GLU B 77 1 -ATOM 3386 O O . GLU F 3 77 . 18.221 41.088 11.202 1 45.76 ? O GLU B 77 1 -ATOM 3387 C CB . GLU F 3 77 . 19.208 43.612 9.612 1 48.64 ? CB GLU B 77 1 -ATOM 3388 C CG . GLU F 3 77 . 18.552 44.908 9.138 1 52.08 ? CG GLU B 77 1 -ATOM 3389 C CD . GLU F 3 77 . 18.171 44.831 7.671 1 54.09 ? CD GLU B 77 1 -ATOM 3390 O OE1 . GLU F 3 77 . 18.175 43.704 7.134 1 51.05 ? OE1 GLU B 77 1 -ATOM 3391 O OE2 . GLU F 3 77 . 17.857 45.877 7.054 1 55 ? OE2 GLU B 77 1 -ATOM 3392 N N . GLU F 3 78 . 20.466 41.241 11.354 1 50.83 ? N GLU B 78 1 -ATOM 3393 C CA . GLU F 3 78 . 20.731 39.79 11.461 1 52.94 ? CA GLU B 78 1 -ATOM 3394 C C . GLU F 3 78 . 20.285 38.94 10.262 1 51.17 ? C GLU B 78 1 -ATOM 3395 O O . GLU F 3 78 . 19.262 39.167 9.591 1 50.16 ? O GLU B 78 1 -ATOM 3396 C CB . GLU F 3 78 . 20.077 39.189 12.722 1 54.64 ? CB GLU B 78 1 -ATOM 3397 C CG . GLU F 3 78 . 21.044 39.015 13.916 1 55 ? CG GLU B 78 1 -ATOM 3398 C CD . GLU F 3 78 . 22.232 38.065 13.635 1 55 ? CD GLU B 78 1 -ATOM 3399 O OE1 . GLU F 3 78 . 22.07 36.827 13.77 1 55 ? OE1 GLU B 78 1 -ATOM 3400 O OE2 . GLU F 3 78 . 23.33 38.561 13.283 1 55 ? OE2 GLU B 78 1 -ATOM 3401 N N . GLY F 3 79 . 21.1 37.907 10.074 1 45.38 ? N GLY B 79 1 -ATOM 3402 C CA . GLY F 3 79 . 20.997 36.985 8.969 1 40.99 ? CA GLY B 79 1 -ATOM 3403 C C . GLY F 3 79 . 22.317 37.202 8.265 1 42.94 ? C GLY B 79 1 -ATOM 3404 O O . GLY F 3 79 . 23.042 36.249 7.951 1 49.32 ? O GLY B 79 1 -ATOM 3405 N N . GLN F 3 80 . 22.63 38.501 8.117 1 37.62 ? N GLN B 80 1 -ATOM 3406 C CA . GLN F 3 80 . 23.809 39.075 7.439 1 31.92 ? CA GLN B 80 1 -ATOM 3407 C C . GLN F 3 80 . 25.23 38.745 7.967 1 30.12 ? C GLN B 80 1 -ATOM 3408 O O . GLN F 3 80 . 25.429 38.091 9.007 1 32.62 ? O GLN B 80 1 -ATOM 3409 C CB . GLN F 3 80 . 23.641 40.608 7.392 1 33.45 ? CB GLN B 80 1 -ATOM 3410 C CG . GLN F 3 80 . 23.357 41.336 8.725 1 31.32 ? CG GLN B 80 1 -ATOM 3411 C CD . GLN F 3 80 . 23.089 42.804 8.48 1 29.75 ? CD GLN B 80 1 -ATOM 3412 O OE1 . GLN F 3 80 . 23.831 43.469 7.764 1 35.74 ? OE1 GLN B 80 1 -ATOM 3413 N NE2 . GLN F 3 80 . 22.016 43.312 9.052 1 27.54 ? NE2 GLN B 80 1 -ATOM 3414 N N . GLU F 3 81 . 26.213 39.25 7.217 1 24 ? N GLU B 81 1 -ATOM 3415 C CA . GLU F 3 81 . 27.633 39.014 7.458 1 22.61 ? CA GLU B 81 1 -ATOM 3416 C C . GLU F 3 81 . 28.568 40.252 7.533 1 21.19 ? C GLU B 81 1 -ATOM 3417 O O . GLU F 3 81 . 28.246 41.355 7.136 1 27.65 ? O GLU B 81 1 -ATOM 3418 C CB . GLU F 3 81 . 28.112 38.029 6.369 1 32.49 ? CB GLU B 81 1 -ATOM 3419 C CG . GLU F 3 81 . 27.521 38.217 4.937 1 43.6 ? CG GLU B 81 1 -ATOM 3420 C CD . GLU F 3 81 . 27.644 36.96 4.024 1 49.63 ? CD GLU B 81 1 -ATOM 3421 O OE1 . GLU F 3 81 . 28.283 37.044 2.934 1 51.23 ? OE1 GLU B 81 1 -ATOM 3422 O OE2 . GLU F 3 81 . 27.082 35.893 4.402 1 45.25 ? OE2 GLU B 81 1 -ATOM 3423 N N . ARG F 3 82 . 29.741 40.036 8.098 1 18.77 ? N ARG B 82 1 -ATOM 3424 C CA . ARG F 3 82 . 30.745 41.051 8.269 1 20.6 ? CA ARG B 82 1 -ATOM 3425 C C . ARG F 3 82 . 30.862 41.707 6.932 1 20.92 ? C ARG B 82 1 -ATOM 3426 O O . ARG F 3 82 . 31.053 41.004 5.944 1 27.79 ? O ARG B 82 1 -ATOM 3427 C CB . ARG F 3 82 . 32.057 40.406 8.637 1 16.57 ? CB ARG B 82 1 -ATOM 3428 C CG . ARG F 3 82 . 31.906 39.311 9.68 1 23.83 ? CG ARG B 82 1 -ATOM 3429 C CD . ARG F 3 82 . 31.89 39.738 11.121 1 22.31 ? CD ARG B 82 1 -ATOM 3430 N NE . ARG F 3 82 . 30.875 40.691 11.544 1 17.44 ? NE ARG B 82 1 -ATOM 3431 C CZ . ARG F 3 82 . 30.657 40.952 12.833 1 21.56 ? CZ ARG B 82 1 -ATOM 3432 N NH1 . ARG F 3 82 . 31.364 40.336 13.788 1 21.77 ? NH1 ARG B 82 1 -ATOM 3433 N NH2 . ARG F 3 82 . 29.746 41.829 13.185 1 9.9 ? NH2 ARG B 82 1 -ATOM 3434 N N . SER F 3 83 . 30.751 43.033 6.9 1 29.02 ? N SER B 83 1 -ATOM 3435 C CA . SER F 3 83 . 30.806 43.834 5.654 1 19.08 ? CA SER B 83 1 -ATOM 3436 C C . SER F 3 83 . 32.229 44.037 5.112 1 12.88 ? C SER B 83 1 -ATOM 3437 O O . SER F 3 83 . 32.389 44.177 3.899 1 6 ? O SER B 83 1 -ATOM 3438 C CB . SER F 3 83 . 30.191 45.242 5.871 1 6 ? CB SER B 83 1 -ATOM 3439 O OG . SER F 3 83 . 31.173 46.099 6.454 1 6.95 ? OG SER B 83 1 -ATOM 3440 N N . ALA F 3 84 . 33.231 44.059 6.001 1 6.77 ? N ALA B 84 1 -ATOM 3441 C CA . ALA F 3 84 . 34.635 44.348 5.639 1 6 ? CA ALA B 84 1 -ATOM 3442 C C . ALA F 3 84 . 35.613 43.398 6.27 1 6 ? C ALA B 84 1 -ATOM 3443 O O . ALA F 3 84 . 35.26 42.407 6.8 1 7.62 ? O ALA B 84 1 -ATOM 3444 C CB . ALA F 3 84 . 34.998 45.77 6.074 1 7.89 ? CB ALA B 84 1 -ATOM 3445 N N . TRP F 3 85 . 36.876 43.705 6.195 1 6 ? N TRP B 85 1 -ATOM 3446 C CA . TRP F 3 85 . 37.862 42.896 6.861 1 6 ? CA TRP B 85 1 -ATOM 3447 C C . TRP F 3 85 . 38.463 43.731 8.02 1 10.46 ? C TRP B 85 1 -ATOM 3448 O O . TRP F 3 85 . 38.644 44.935 7.87 1 23.59 ? O TRP B 85 1 -ATOM 3449 C CB . TRP F 3 85 . 38.928 42.554 5.895 1 7.07 ? CB TRP B 85 1 -ATOM 3450 C CG . TRP F 3 85 . 39.386 41.157 5.945 1 24.14 ? CG TRP B 85 1 -ATOM 3451 C CD1 . TRP F 3 85 . 40.187 40.593 6.875 1 32.33 ? CD1 TRP B 85 1 -ATOM 3452 C CD2 . TRP F 3 85 . 39.087 40.142 4.986 1 29.73 ? CD2 TRP B 85 1 -ATOM 3453 N NE1 . TRP F 3 85 . 40.418 39.269 6.565 1 33.73 ? NE1 TRP B 85 1 -ATOM 3454 C CE2 . TRP F 3 85 . 39.747 38.963 5.412 1 37.12 ? CE2 TRP B 85 1 -ATOM 3455 C CE3 . TRP F 3 85 . 38.32 40.114 3.814 1 24.54 ? CE3 TRP B 85 1 -ATOM 3456 C CZ2 . TRP F 3 85 . 39.671 37.761 4.704 1 37.7 ? CZ2 TRP B 85 1 -ATOM 3457 C CZ3 . TRP F 3 85 . 38.236 38.939 3.116 1 34.03 ? CZ3 TRP B 85 1 -ATOM 3458 C CH2 . TRP F 3 85 . 38.914 37.769 3.561 1 36.54 ? CH2 TRP B 85 1 -ATOM 3459 N N . VAL F 3 86 . 38.77 43.133 9.171 1 16.12 ? N VAL B 86 1 -ATOM 3460 C CA . VAL F 3 86 . 39.413 43.898 10.244 1 12.63 ? CA VAL B 86 1 -ATOM 3461 C C . VAL F 3 86 . 40.687 43.177 10.754 1 14.66 ? C VAL B 86 1 -ATOM 3462 O O . VAL F 3 86 . 40.55 42.22 11.482 1 17.35 ? O VAL B 86 1 -ATOM 3463 C CB . VAL F 3 86 . 38.485 44.08 11.462 1 7.66 ? CB VAL B 86 1 -ATOM 3464 C CG1 . VAL F 3 86 . 39.137 45.006 12.419 1 6 ? CG1 VAL B 86 1 -ATOM 3465 C CG2 . VAL F 3 86 . 37.178 44.615 11.065 1 6 ? CG2 VAL B 86 1 -ATOM 3466 N N . ARG F 3 87 . 41.887 43.616 10.364 1 6.92 ? N ARG B 87 1 -ATOM 3467 C CA . ARG F 3 87 . 43.162 43.049 10.788 1 6 ? CA ARG B 87 1 -ATOM 3468 C C . ARG F 3 87 . 43.72 43.908 11.893 1 17.11 ? C ARG B 87 1 -ATOM 3469 O O . ARG F 3 87 . 43.38 45.089 12.018 1 33.23 ? O ARG B 87 1 -ATOM 3470 C CB . ARG F 3 87 . 44.243 43.046 9.714 1 16.01 ? CB ARG B 87 1 -ATOM 3471 C CG . ARG F 3 87 . 43.895 42.297 8.455 1 37.49 ? CG ARG B 87 1 -ATOM 3472 C CD . ARG F 3 87 . 45.08 42.197 7.48 1 49.03 ? CD ARG B 87 1 -ATOM 3473 N NE . ARG F 3 87 . 44.744 41.681 6.136 1 55 ? NE ARG B 87 1 -ATOM 3474 C CZ . ARG F 3 87 . 43.799 40.784 5.827 1 50.58 ? CZ ARG B 87 1 -ATOM 3475 N NH1 . ARG F 3 87 . 43.028 40.251 6.777 1 42.5 ? NH1 ARG B 87 1 -ATOM 3476 N NH2 . ARG F 3 87 . 43.641 40.41 4.547 1 43.58 ? NH2 ARG B 87 1 -ATOM 3477 N N . ALA F 3 88 . 44.626 43.316 12.666 1 26.11 ? N ALA B 88 1 -ATOM 3478 C CA . ALA F 3 88 . 45.247 43.954 13.798 1 20.18 ? CA ALA B 88 1 -ATOM 3479 C C . ALA F 3 88 . 46.468 44.676 13.343 1 16.68 ? C ALA B 88 1 -ATOM 3480 O O . ALA F 3 88 . 47.427 44.031 12.974 1 9.84 ? O ALA B 88 1 -ATOM 3481 C CB . ALA F 3 88 . 45.604 42.906 14.804 1 12.5 ? CB ALA B 88 1 -ATOM 3482 N N . LYS F 3 89 . 46.452 46.003 13.357 1 16.04 ? N LYS B 89 1 -ATOM 3483 C CA . LYS F 3 89 . 47.628 46.791 12.938 1 17.4 ? CA LYS B 89 1 -ATOM 3484 C C . LYS F 3 89 . 48.736 46.569 13.968 1 20.68 ? C LYS B 89 1 -ATOM 3485 O O . LYS F 3 89 . 49.912 46.681 13.658 1 28.02 ? O LYS B 89 1 -ATOM 3486 C CB . LYS F 3 89 . 47.282 48.291 12.88 1 20.11 ? CB LYS B 89 1 -ATOM 3487 C CG . LYS F 3 89 . 47.987 49.149 11.791 1 21.48 ? CG LYS B 89 1 -ATOM 3488 C CD . LYS F 3 89 . 47.782 50.655 12.018 1 13.64 ? CD LYS B 89 1 -ATOM 3489 C CE . LYS F 3 89 . 46.44 50.993 12.682 1 21.46 ? CE LYS B 89 1 -ATOM 3490 N NZ . LYS F 3 89 . 45.174 50.561 12.029 1 19.98 ? NZ LYS B 89 1 -ATOM 3491 N N . THR F 3 90 . 48.322 46.262 15.198 1 29.6 ? N THR B 90 1 -ATOM 3492 C CA . THR F 3 90 . 49.186 45.987 16.366 1 30.38 ? CA THR B 90 1 -ATOM 3493 C C . THR F 3 90 . 48.403 45.244 17.506 1 30.23 ? C THR B 90 1 -ATOM 3494 O O . THR F 3 90 . 47.251 44.791 17.308 1 28.51 ? O THR B 90 1 -ATOM 3495 C CB . THR F 3 90 . 49.77 47.326 16.928 1 35.36 ? CB THR B 90 1 -ATOM 3496 O OG1 . THR F 3 90 . 48.716 48.292 17.067 1 33.67 ? OG1 THR B 90 1 -ATOM 3497 C CG2 . THR F 3 90 . 50.849 47.885 15.99 1 37.99 ? CG2 THR B 90 1 -ATOM 3498 N N . ALA F 3 91 . 49.003 45.109 18.689 1 19.33 ? N ALA B 91 1 -ATOM 3499 C CA . ALA F 3 91 . 48.317 44.408 19.764 1 12.4 ? CA ALA B 91 1 -ATOM 3500 C C . ALA F 3 91 . 47.097 45.133 20.262 1 13.58 ? C ALA B 91 1 -ATOM 3501 O O . ALA F 3 91 . 47.061 46.351 20.409 1 20.36 ? O ALA B 91 1 -ATOM 3502 C CB . ALA F 3 91 . 49.257 44.185 20.909 1 22.11 ? CB ALA B 91 1 -ATOM 3503 N N . CYS F 3 92 . 46.109 44.341 20.632 1 15.53 ? N CYS B 92 1 -ATOM 3504 C CA . CYS F 3 92 . 44.858 44.917 21.019 1 17.95 ? CA CYS B 92 1 -ATOM 3505 C C . CYS F 3 92 . 44.111 44.123 22.055 1 23.53 ? C CYS B 92 1 -ATOM 3506 O O . CYS F 3 92 . 44.165 42.919 22.105 1 26.59 ? O CYS B 92 1 -ATOM 3507 C CB . CYS F 3 92 . 43.913 45.049 19.806 1 24.64 ? CB CYS B 92 1 -ATOM 3508 S SG . CYS F 3 92 . 44.491 45.838 18.27 1 30.34 ? SG CYS B 92 1 -ATOM 3509 N N . GLU F 3 93 . 43.4 44.823 22.902 1 22.27 ? N GLU B 93 1 -ATOM 3510 C CA . GLU F 3 93 . 42.52 44.157 23.799 1 24.3 ? CA GLU B 93 1 -ATOM 3511 C C . GLU F 3 93 . 41.149 44.479 23.416 1 23.89 ? C GLU B 93 1 -ATOM 3512 O O . GLU F 3 93 . 40.797 45.641 23.353 1 23.65 ? O GLU B 93 1 -ATOM 3513 C CB . GLU F 3 93 . 42.816 44.56 25.282 1 35.19 ? CB GLU B 93 1 -ATOM 3514 C CG . GLU F 3 93 . 43.674 43.553 26.126 1 27.78 ? CG GLU B 93 1 -ATOM 3515 C CD . GLU F 3 93 . 44.121 44.067 27.531 1 39.91 ? CD GLU B 93 1 -ATOM 3516 O OE1 . GLU F 3 93 . 45.333 44.38 27.696 1 33.18 ? OE1 GLU B 93 1 -ATOM 3517 O OE2 . GLU F 3 93 . 43.273 44.161 28.461 1 40.19 ? OE2 GLU B 93 1 -ATOM 3518 N N . VAL F 3 94 . 40.409 43.438 23.128 1 20.98 ? N VAL B 94 1 -ATOM 3519 C CA . VAL F 3 94 . 39.14 43.615 22.515 1 21.41 ? CA VAL B 94 1 -ATOM 3520 C C . VAL F 3 94 . 38.048 43.008 23.314 1 22.8 ? C VAL B 94 1 -ATOM 3521 O O . VAL F 3 94 . 37.997 41.784 23.484 1 22.76 ? O VAL B 94 1 -ATOM 3522 C CB . VAL F 3 94 . 39.199 42.997 21.107 1 15.89 ? CB VAL B 94 1 -ATOM 3523 C CG1 . VAL F 3 94 . 37.97 43.353 20.344 1 18.97 ? CG1 VAL B 94 1 -ATOM 3524 C CG2 . VAL F 3 94 . 40.448 43.49 20.4 1 15.61 ? CG2 VAL B 94 1 -ATOM 3525 N N . ALA F 3 95 . 37.167 43.864 23.809 1 18.25 ? N ALA B 95 1 -ATOM 3526 C CA . ALA F 3 95 . 36.067 43.364 24.597 1 18.99 ? CA ALA B 95 1 -ATOM 3527 C C . ALA F 3 95 . 35.115 42.864 23.56 1 17.66 ? C ALA B 95 1 -ATOM 3528 O O . ALA F 3 95 . 34.971 43.573 22.567 1 8.82 ? O ALA B 95 1 -ATOM 3529 C CB . ALA F 3 95 . 35.441 44.497 25.437 1 21.84 ? CB ALA B 95 1 -ATOM 3530 N N . GLU F 3 96 . 34.514 41.679 23.789 1 13.83 ? N GLU B 96 1 -ATOM 3531 C CA . GLU F 3 96 . 33.592 41.03 22.862 1 11.93 ? CA GLU B 96 1 -ATOM 3532 C C . GLU F 3 96 . 32.34 40.664 23.612 1 14.51 ? C GLU B 96 1 -ATOM 3533 O O . GLU F 3 96 . 32.428 40.087 24.683 1 32.79 ? O GLU B 96 1 -ATOM 3534 C CB . GLU F 3 96 . 34.254 39.766 22.265 1 20.4 ? CB GLU B 96 1 -ATOM 3535 C CG . GLU F 3 96 . 33.574 39.273 20.935 1 28.95 ? CG GLU B 96 1 -ATOM 3536 C CD . GLU F 3 96 . 34.422 38.319 20.052 1 35.8 ? CD GLU B 96 1 -ATOM 3537 O OE1 . GLU F 3 96 . 35.673 38.24 20.153 1 26.69 ? OE1 GLU B 96 1 -ATOM 3538 O OE2 . GLU F 3 96 . 33.818 37.634 19.215 1 40.51 ? OE2 GLU B 96 1 -ATOM 3539 N N . ILE F 3 97 . 31.188 41.012 23.039 1 27.77 ? N ILE B 97 1 -ATOM 3540 C CA . ILE F 3 97 . 29.834 40.816 23.603 1 25.08 ? CA ILE B 97 1 -ATOM 3541 C C . ILE F 3 97 . 29.009 40.262 22.458 1 30.78 ? C ILE B 97 1 -ATOM 3542 O O . ILE F 3 97 . 29.191 40.726 21.325 1 31.49 ? O ILE B 97 1 -ATOM 3543 C CB . ILE F 3 97 . 29.055 42.101 23.952 1 21.23 ? CB ILE B 97 1 -ATOM 3544 C CG1 . ILE F 3 97 . 30.038 43.172 24.341 1 26.71 ? CG1 ILE B 97 1 -ATOM 3545 C CG2 . ILE F 3 97 . 28.044 41.845 25.067 1 11.21 ? CG2 ILE B 97 1 -ATOM 3546 C CD1 . ILE F 3 97 . 29.385 44.524 24.558 1 35.75 ? CD1 ILE B 97 1 -ATOM 3547 N N . SER F 3 98 . 28.094 39.328 22.711 1 26.24 ? N SER B 98 1 -ATOM 3548 C CA . SER F 3 98 . 27.29 38.872 21.596 1 21.67 ? CA SER B 98 1 -ATOM 3549 C C . SER F 3 98 . 26.376 40.022 21.281 1 25.28 ? C SER B 98 1 -ATOM 3550 O O . SER F 3 98 . 26.097 40.903 22.118 1 21.48 ? O SER B 98 1 -ATOM 3551 C CB . SER F 3 98 . 26.394 37.638 21.928 1 22.74 ? CB SER B 98 1 -ATOM 3552 O OG . SER F 3 98 . 25.116 37.952 22.5 1 14.02 ? OG SER B 98 1 -ATOM 3553 N N . TYR F 3 99 . 25.888 40.018 20.065 1 34.58 ? N TYR B 99 1 -ATOM 3554 C CA . TYR F 3 99 . 24.922 41.017 19.717 1 34.34 ? CA TYR B 99 1 -ATOM 3555 C C . TYR F 3 99 . 23.836 40.998 20.792 1 36.42 ? C TYR B 99 1 -ATOM 3556 O O . TYR F 3 99 . 23.6 42.001 21.489 1 22.23 ? O TYR B 99 1 -ATOM 3557 C CB . TYR F 3 99 . 24.379 40.672 18.338 1 24.78 ? CB TYR B 99 1 -ATOM 3558 C CG . TYR F 3 99 . 25.244 41.217 17.212 1 24.92 ? CG TYR B 99 1 -ATOM 3559 C CD1 . TYR F 3 99 . 26.309 42.092 17.472 1 22.72 ? CD1 TYR B 99 1 -ATOM 3560 C CD2 . TYR F 3 99 . 24.941 40.932 15.89 1 17.99 ? CD2 TYR B 99 1 -ATOM 3561 C CE1 . TYR F 3 99 . 27.018 42.66 16.435 1 20.29 ? CE1 TYR B 99 1 -ATOM 3562 C CE2 . TYR F 3 99 . 25.648 41.5 14.863 1 19.77 ? CE2 TYR B 99 1 -ATOM 3563 C CZ . TYR F 3 99 . 26.68 42.368 15.136 1 17.87 ? CZ TYR B 99 1 -ATOM 3564 O OH . TYR F 3 99 . 27.328 42.983 14.086 1 17.59 ? OH TYR B 99 1 -ATOM 3565 N N . LYS F 3 100 . 23.298 39.789 20.971 1 41.39 ? N LYS B 100 1 -ATOM 3566 C CA . LYS F 3 100 . 22.216 39.479 21.898 1 45.09 ? CA LYS B 100 1 -ATOM 3567 C C . LYS F 3 100 . 22.383 40.037 23.298 1 45.22 ? C LYS B 100 1 -ATOM 3568 O O . LYS F 3 100 . 21.424 40.633 23.821 1 45.43 ? O LYS B 100 1 -ATOM 3569 C CB . LYS F 3 100 . 22.038 37.963 21.978 1 52.1 ? CB LYS B 100 1 -ATOM 3570 C CG . LYS F 3 100 . 21.205 37.41 20.826 1 55 ? CG LYS B 100 1 -ATOM 3571 C CD . LYS F 3 100 . 21.606 35.999 20.449 1 46.03 ? CD LYS B 100 1 -ATOM 3572 C CE . LYS F 3 100 . 23.085 36.019 20.072 1 55 ? CE LYS B 100 1 -ATOM 3573 N NZ . LYS F 3 100 . 23.471 37.245 19.279 1 43.44 ? NZ LYS B 100 1 -ATOM 3574 N N . LYS F 3 101 . 23.517 39.878 23.97 1 38.98 ? N LYS B 101 1 -ATOM 3575 C CA . LYS F 3 101 . 23.527 40.494 25.269 1 43.3 ? CA LYS B 101 1 -ATOM 3576 C C . LYS F 3 101 . 23.475 42.005 25.053 1 43.04 ? C LYS B 101 1 -ATOM 3577 O O . LYS F 3 101 . 22.738 42.702 25.76 1 39.45 ? O LYS B 101 1 -ATOM 3578 C CB . LYS F 3 101 . 24.778 40.128 26.076 1 47.21 ? CB LYS B 101 1 -ATOM 3579 C CG . LYS F 3 101 . 24.42 39.34 27.371 1 49.39 ? CG LYS B 101 1 -ATOM 3580 C CD . LYS F 3 101 . 23.393 40.084 28.264 1 55 ? CD LYS B 101 1 -ATOM 3581 C CE . LYS F 3 101 . 22.842 39.294 29.487 1 47.16 ? CE LYS B 101 1 -ATOM 3582 N NZ . LYS F 3 101 . 23.739 39.142 30.656 1 42.69 ? NZ LYS B 101 1 -ATOM 3583 N N . PHE F 3 102 . 24.178 42.516 24.041 1 41.4 ? N PHE B 102 1 -ATOM 3584 C CA . PHE F 3 102 . 24.165 43.961 23.816 1 37.49 ? CA PHE B 102 1 -ATOM 3585 C C . PHE F 3 102 . 22.785 44.494 23.454 1 35.61 ? C PHE B 102 1 -ATOM 3586 O O . PHE F 3 102 . 22.362 45.545 23.975 1 45.48 ? O PHE B 102 1 -ATOM 3587 C CB . PHE F 3 102 . 25.098 44.356 22.707 1 33.29 ? CB PHE B 102 1 -ATOM 3588 C CG . PHE F 3 102 . 25.442 45.812 22.725 1 34.45 ? CG PHE B 102 1 -ATOM 3589 C CD1 . PHE F 3 102 . 26.388 46.3 23.636 1 37 ? CD1 PHE B 102 1 -ATOM 3590 C CD2 . PHE F 3 102 . 24.856 46.7 21.824 1 30.26 ? CD2 PHE B 102 1 -ATOM 3591 C CE1 . PHE F 3 102 . 26.752 47.666 23.641 1 30.37 ? CE1 PHE B 102 1 -ATOM 3592 C CE2 . PHE F 3 102 . 25.214 48.058 21.822 1 28.37 ? CE2 PHE B 102 1 -ATOM 3593 C CZ . PHE F 3 102 . 26.163 48.533 22.731 1 33.87 ? CZ PHE B 102 1 -ATOM 3594 N N . ARG F 3 103 . 22.067 43.792 22.59 1 28.86 ? N ARG B 103 1 -ATOM 3595 C CA . ARG F 3 103 . 20.728 44.225 22.227 1 29.67 ? CA ARG B 103 1 -ATOM 3596 C C . ARG F 3 103 . 19.947 44.491 23.519 1 32.28 ? C ARG B 103 1 -ATOM 3597 O O . ARG F 3 103 . 19.036 45.314 23.56 1 37.56 ? O ARG B 103 1 -ATOM 3598 C CB . ARG F 3 103 . 20.048 43.129 21.405 1 39.46 ? CB ARG B 103 1 -ATOM 3599 C CG . ARG F 3 103 . 18.956 43.61 20.426 1 43.95 ? CG ARG B 103 1 -ATOM 3600 C CD . ARG F 3 103 . 18.323 42.44 19.636 1 39.97 ? CD ARG B 103 1 -ATOM 3601 N NE . ARG F 3 103 . 19.28 41.52 19.018 1 31.23 ? NE ARG B 103 1 -ATOM 3602 C CZ . ARG F 3 103 . 20.363 41.891 18.344 1 39.74 ? CZ ARG B 103 1 -ATOM 3603 N NH1 . ARG F 3 103 . 20.653 43.172 18.186 1 41.47 ? NH1 ARG B 103 1 -ATOM 3604 N NH2 . ARG F 3 103 . 21.161 40.977 17.818 1 40.06 ? NH2 ARG B 103 1 -ATOM 3605 N N . GLN F 3 104 . 20.319 43.766 24.571 1 36.68 ? N GLN B 104 1 -ATOM 3606 C CA . GLN F 3 104 . 19.729 43.908 25.893 1 36.85 ? CA GLN B 104 1 -ATOM 3607 C C . GLN F 3 104 . 20.252 45.12 26.663 1 35.07 ? C GLN B 104 1 -ATOM 3608 O O . GLN F 3 104 . 19.432 45.907 27.118 1 43.7 ? O GLN B 104 1 -ATOM 3609 C CB . GLN F 3 104 . 19.995 42.667 26.764 1 45.84 ? CB GLN B 104 1 -ATOM 3610 C CG . GLN F 3 104 . 19.316 41.355 26.35 1 50.71 ? CG GLN B 104 1 -ATOM 3611 C CD . GLN F 3 104 . 19.618 40.226 27.322 1 45.87 ? CD GLN B 104 1 -ATOM 3612 O OE1 . GLN F 3 104 . 20.11 40.452 28.428 1 49.19 ? OE1 GLN B 104 1 -ATOM 3613 N NE2 . GLN F 3 104 . 19.331 39.005 26.91 1 45.34 ? NE2 GLN B 104 1 -ATOM 3614 N N . LEU F 3 105 . 21.579 45.271 26.824 1 21.55 ? N LEU B 105 1 -ATOM 3615 C CA . LEU F 3 105 . 22.144 46.383 27.587 1 14.59 ? CA LEU B 105 1 -ATOM 3616 C C . LEU F 3 105 . 21.6 47.704 27.146 1 22.7 ? C LEU B 105 1 -ATOM 3617 O O . LEU F 3 105 . 21.64 48.661 27.937 1 28.95 ? O LEU B 105 1 -ATOM 3618 C CB . LEU F 3 105 . 23.653 46.479 27.457 1 19 ? CB LEU B 105 1 -ATOM 3619 C CG . LEU F 3 105 . 24.525 45.496 28.237 1 36.59 ? CG LEU B 105 1 -ATOM 3620 C CD1 . LEU F 3 105 . 24.304 44.076 27.746 1 35.92 ? CD1 LEU B 105 1 -ATOM 3621 C CD2 . LEU F 3 105 . 25.997 45.893 28.046 1 39.67 ? CD2 LEU B 105 1 -ATOM 3622 N N . ILE F 3 106 . 21.144 47.777 25.889 1 22.99 ? N ILE B 106 1 -ATOM 3623 C CA . ILE F 3 106 . 20.51 48.992 25.342 1 24.41 ? CA ILE B 106 1 -ATOM 3624 C C . ILE F 3 106 . 19.124 49.295 25.961 1 27.47 ? C ILE B 106 1 -ATOM 3625 O O . ILE F 3 106 . 18.757 50.464 26.118 1 32.6 ? O ILE B 106 1 -ATOM 3626 C CB . ILE F 3 106 . 20.402 48.84 23.792 1 33.4 ? CB ILE B 106 1 -ATOM 3627 C CG1 . ILE F 3 106 . 21.645 49.494 23.169 1 26.21 ? CG1 ILE B 106 1 -ATOM 3628 C CG2 . ILE F 3 106 . 19.084 49.41 23.283 1 27.21 ? CG2 ILE B 106 1 -ATOM 3629 C CD1 . ILE F 3 106 . 21.859 49.167 21.723 1 25.88 ? CD1 ILE B 106 1 -ATOM 3630 N N . GLN F 3 107 . 18.363 48.25 26.292 1 36.21 ? N GLN B 107 1 -ATOM 3631 C CA . GLN F 3 107 . 17.03 48.326 26.947 1 39.5 ? CA GLN B 107 1 -ATOM 3632 C C . GLN F 3 107 . 17.081 48.867 28.391 1 43.18 ? C GLN B 107 1 -ATOM 3633 O O . GLN F 3 107 . 16.069 49.346 28.912 1 45.64 ? O GLN B 107 1 -ATOM 3634 C CB . GLN F 3 107 . 16.393 46.95 27.015 1 36.51 ? CB GLN B 107 1 -ATOM 3635 C CG . GLN F 3 107 . 16.034 46.394 25.701 1 43.78 ? CG GLN B 107 1 -ATOM 3636 C CD . GLN F 3 107 . 14.899 47.152 25.144 1 49.1 ? CD GLN B 107 1 -ATOM 3637 O OE1 . GLN F 3 107 . 14.085 47.705 25.894 1 55 ? OE1 GLN B 107 1 -ATOM 3638 N NE2 . GLN F 3 107 . 14.819 47.205 23.826 1 52.69 ? NE2 GLN B 107 1 -ATOM 3639 N N . VAL F 3 108 . 18.239 48.686 29.035 1 45.91 ? N VAL B 108 1 -ATOM 3640 C CA . VAL F 3 108 . 18.577 49.115 30.401 1 46.45 ? CA VAL B 108 1 -ATOM 3641 C C . VAL F 3 108 . 19.06 50.571 30.411 1 50.06 ? C VAL B 108 1 -ATOM 3642 O O . VAL F 3 108 . 18.607 51.412 31.205 1 45.24 ? O VAL B 108 1 -ATOM 3643 C CB . VAL F 3 108 . 19.693 48.194 30.968 1 48.78 ? CB VAL B 108 1 -ATOM 3644 C CG1 . VAL F 3 108 . 20.397 48.868 32.132 1 49.98 ? CG1 VAL B 108 1 -ATOM 3645 C CG2 . VAL F 3 108 . 19.072 46.866 31.399 1 51.07 ? CG2 VAL B 108 1 -ATOM 3646 N N . ASN F 3 109 . 20.003 50.854 29.516 1 51.18 ? N ASN B 109 1 -ATOM 3647 C CA . ASN F 3 109 . 20.571 52.186 29.392 1 49.47 ? CA ASN B 109 1 -ATOM 3648 C C . ASN F 3 109 . 20.694 52.58 27.909 1 49.01 ? C ASN B 109 1 -ATOM 3649 O O . ASN F 3 109 . 21.276 51.836 27.122 1 48.13 ? O ASN B 109 1 -ATOM 3650 C CB . ASN F 3 109 . 21.939 52.195 30.066 1 42.66 ? CB ASN B 109 1 -ATOM 3651 C CG . ASN F 3 109 . 22.599 53.558 30.019 1 45.82 ? CG ASN B 109 1 -ATOM 3652 O OD1 . ASN F 3 109 . 23.819 53.67 29.919 1 43.9 ? OD1 ASN B 109 1 -ATOM 3653 N ND2 . ASN F 3 109 . 21.794 54.607 30.097 1 37.43 ? ND2 ASN B 109 1 -ATOM 3654 N N . PRO F 3 110 . 20.122 53.735 27.503 1 44.84 ? N PRO B 110 1 -ATOM 3655 C CA . PRO F 3 110 . 20.15 54.196 26.114 1 44.29 ? CA PRO B 110 1 -ATOM 3656 C C . PRO F 3 110 . 21.492 54.798 25.689 1 43.42 ? C PRO B 110 1 -ATOM 3657 O O . PRO F 3 110 . 21.763 54.932 24.499 1 45.4 ? O PRO B 110 1 -ATOM 3658 C CB . PRO F 3 110 . 18.997 55.19 26.047 1 44.19 ? CB PRO B 110 1 -ATOM 3659 C CG . PRO F 3 110 . 18.143 54.789 27.174 1 44.57 ? CG PRO B 110 1 -ATOM 3660 C CD . PRO F 3 110 . 19.197 54.61 28.232 1 44.7 ? CD PRO B 110 1 -ATOM 3661 N N . ASP F 3 111 . 22.336 55.156 26.648 1 40.76 ? N ASP B 111 1 -ATOM 3662 C CA . ASP F 3 111 . 23.606 55.808 26.337 1 35.04 ? CA ASP B 111 1 -ATOM 3663 C C . ASP F 3 111 . 24.596 54.98 25.517 1 34.58 ? C ASP B 111 1 -ATOM 3664 O O . ASP F 3 111 . 25.265 55.548 24.647 1 35.88 ? O ASP B 111 1 -ATOM 3665 C CB . ASP F 3 111 . 24.286 56.232 27.622 1 31.26 ? CB ASP B 111 1 -ATOM 3666 C CG . ASP F 3 111 . 25.304 57.279 27.39 1 27.36 ? CG ASP B 111 1 -ATOM 3667 O OD1 . ASP F 3 111 . 24.898 58.459 27.399 1 30.57 ? OD1 ASP B 111 1 -ATOM 3668 O OD2 . ASP F 3 111 . 26.49 56.929 27.196 1 34.17 ? OD2 ASP B 111 1 -ATOM 3669 N N . ILE F 3 112 . 24.743 53.675 25.755 1 35.4 ? N ILE B 112 1 -ATOM 3670 C CA . ILE F 3 112 . 25.715 52.98 24.913 1 31.11 ? CA ILE B 112 1 -ATOM 3671 C C . ILE F 3 112 . 25.213 52.937 23.462 1 28.23 ? C ILE B 112 1 -ATOM 3672 O O . ILE F 3 112 . 25.987 53.187 22.57 1 21.24 ? O ILE B 112 1 -ATOM 3673 C CB . ILE F 3 112 . 26.015 51.495 25.352 1 18.78 ? CB ILE B 112 1 -ATOM 3674 C CG1 . ILE F 3 112 . 25.611 51.203 26.785 1 16.34 ? CG1 ILE B 112 1 -ATOM 3675 C CG2 . ILE F 3 112 . 27.53 51.316 25.428 1 12.73 ? CG2 ILE B 112 1 -ATOM 3676 C CD1 . ILE F 3 112 . 24.152 50.99 26.965 1 29.32 ? CD1 ILE B 112 1 -ATOM 3677 N N . LEU F 3 113 . 23.945 52.67 23.196 1 21.42 ? N LEU B 113 1 -ATOM 3678 C CA . LEU F 3 113 . 23.496 52.7 21.79 1 35.44 ? CA LEU B 113 1 -ATOM 3679 C C . LEU F 3 113 . 23.784 54.058 21.087 1 39.01 ? C LEU B 113 1 -ATOM 3680 O O . LEU F 3 113 . 23.894 54.134 19.858 1 44.54 ? O LEU B 113 1 -ATOM 3681 C CB . LEU F 3 113 . 21.989 52.451 21.676 1 38.71 ? CB LEU B 113 1 -ATOM 3682 C CG . LEU F 3 113 . 21.427 52.726 20.27 1 37.54 ? CG LEU B 113 1 -ATOM 3683 C CD1 . LEU F 3 113 . 22.001 51.741 19.23 1 36.43 ? CD1 LEU B 113 1 -ATOM 3684 C CD2 . LEU F 3 113 . 19.912 52.617 20.358 1 43.65 ? CD2 LEU B 113 1 -ATOM 3685 N N . MET F 3 114 . 23.839 55.14 21.851 1 45.57 ? N MET B 114 1 -ATOM 3686 C CA . MET F 3 114 . 24.156 56.429 21.262 1 40.81 ? CA MET B 114 1 -ATOM 3687 C C . MET F 3 114 . 25.621 56.408 20.972 1 39.44 ? C MET B 114 1 -ATOM 3688 O O . MET F 3 114 . 26.039 56.667 19.842 1 46.2 ? O MET B 114 1 -ATOM 3689 C CB . MET F 3 114 . 23.905 57.598 22.209 1 32.3 ? CB MET B 114 1 -ATOM 3690 C CG . MET F 3 114 . 22.466 58.001 22.452 1 34.46 ? CG MET B 114 1 -ATOM 3691 S SD . MET F 3 114 . 21.836 59.359 21.419 1 38.84 ? SD MET B 114 1 -ATOM 3692 C CE . MET F 3 114 . 23.27 60.518 21.406 1 30.5 ? CE MET B 114 1 -ATOM 3693 N N . ARG F 3 115 . 26.409 56.083 21.996 1 33.43 ? N ARG B 115 1 -ATOM 3694 C CA . ARG F 3 115 . 27.864 56.08 21.82 1 35.32 ? CA ARG B 115 1 -ATOM 3695 C C . ARG F 3 115 . 28.296 55.268 20.603 1 31 ? C ARG B 115 1 -ATOM 3696 O O . ARG F 3 115 . 29.396 55.449 20.102 1 26.39 ? O ARG B 115 1 -ATOM 3697 C CB . ARG F 3 115 . 28.544 55.532 23.073 1 37.53 ? CB ARG B 115 1 -ATOM 3698 C CG . ARG F 3 115 . 28.287 56.438 24.238 1 34.45 ? CG ARG B 115 1 -ATOM 3699 C CD . ARG F 3 115 . 29.291 56.17 25.323 1 42.05 ? CD ARG B 115 1 -ATOM 3700 N NE . ARG F 3 115 . 29.15 57.092 26.448 1 39.24 ? NE ARG B 115 1 -ATOM 3701 C CZ . ARG F 3 115 . 30.17 57.471 27.199 1 37.47 ? CZ ARG B 115 1 -ATOM 3702 N NH1 . ARG F 3 115 . 31.383 57.002 26.929 1 44.91 ? NH1 ARG B 115 1 -ATOM 3703 N NH2 . ARG F 3 115 . 29.984 58.311 28.205 1 39.68 ? NH2 ARG B 115 1 -ATOM 3704 N N . LEU F 3 116 . 27.437 54.36 20.156 1 26.33 ? N LEU B 116 1 -ATOM 3705 C CA . LEU F 3 116 . 27.684 53.629 18.94 1 20.9 ? CA LEU B 116 1 -ATOM 3706 C C . LEU F 3 116 . 27.368 54.581 17.779 1 22.04 ? C LEU B 116 1 -ATOM 3707 O O . LEU F 3 116 . 28.26 55.045 17.061 1 12.77 ? O LEU B 116 1 -ATOM 3708 C CB . LEU F 3 116 . 26.77 52.418 18.855 1 24.96 ? CB LEU B 116 1 -ATOM 3709 C CG . LEU F 3 116 . 26.723 51.829 17.441 1 31.68 ? CG LEU B 116 1 -ATOM 3710 C CD1 . LEU F 3 116 . 27.954 50.994 17.288 1 33.91 ? CD1 LEU B 116 1 -ATOM 3711 C CD2 . LEU F 3 116 . 25.448 51.011 17.197 1 28 ? CD2 LEU B 116 1 -ATOM 3712 N N . SER F 3 117 . 26.078 54.882 17.631 1 6 ? N SER B 117 1 -ATOM 3713 C CA . SER F 3 117 . 25.613 55.751 16.564 1 9.49 ? CA SER B 117 1 -ATOM 3714 C C . SER F 3 117 . 26.467 57.004 16.351 1 8.5 ? C SER B 117 1 -ATOM 3715 O O . SER F 3 117 . 26.702 57.362 15.229 1 16.84 ? O SER B 117 1 -ATOM 3716 C CB . SER F 3 117 . 24.186 56.16 16.84 1 14.5 ? CB SER B 117 1 -ATOM 3717 O OG . SER F 3 117 . 23.439 54.978 17.029 1 27.72 ? OG SER B 117 1 -ATOM 3718 N N . ALA F 3 118 . 26.946 57.68 17.373 1 18.16 ? N ALA B 118 1 -ATOM 3719 C CA . ALA F 3 118 . 27.784 58.817 17.061 1 25.91 ? CA ALA B 118 1 -ATOM 3720 C C . ALA F 3 118 . 28.911 58.309 16.164 1 26.83 ? C ALA B 118 1 -ATOM 3721 O O . ALA F 3 118 . 29.224 58.853 15.083 1 17.64 ? O ALA B 118 1 -ATOM 3722 C CB . ALA F 3 118 . 28.364 59.392 18.321 1 24.51 ? CB ALA B 118 1 -ATOM 3723 N N . GLN F 3 119 . 29.495 57.208 16.625 1 31.09 ? N GLN B 119 1 -ATOM 3724 C CA . GLN F 3 119 . 30.617 56.579 15.943 1 32.55 ? CA GLN B 119 1 -ATOM 3725 C C . GLN F 3 119 . 30.248 56.338 14.439 1 31.63 ? C GLN B 119 1 -ATOM 3726 O O . GLN F 3 119 . 30.899 56.868 13.533 1 30.13 ? O GLN B 119 1 -ATOM 3727 C CB . GLN F 3 119 . 30.941 55.266 16.71 1 22.88 ? CB GLN B 119 1 -ATOM 3728 C CG . GLN F 3 119 . 32.426 54.92 16.958 1 29.7 ? CG GLN B 119 1 -ATOM 3729 C CD . GLN F 3 119 . 32.907 54.979 18.422 1 20.53 ? CD GLN B 119 1 -ATOM 3730 O OE1 . GLN F 3 119 . 34.106 54.935 18.692 1 28.26 ? OE1 GLN B 119 1 -ATOM 3731 N NE2 . GLN F 3 119 . 31.989 55.071 19.352 1 29.92 ? NE2 GLN B 119 1 -ATOM 3732 N N . MET F 3 120 . 29.182 55.597 14.161 1 25.81 ? N MET B 120 1 -ATOM 3733 C CA . MET F 3 120 . 28.81 55.369 12.771 1 24 ? CA MET B 120 1 -ATOM 3734 C C . MET F 3 120 . 28.535 56.67 12.01 1 22.19 ? C MET B 120 1 -ATOM 3735 O O . MET F 3 120 . 28.673 56.734 10.797 1 30.05 ? O MET B 120 1 -ATOM 3736 C CB . MET F 3 120 . 27.564 54.493 12.688 1 18.75 ? CB MET B 120 1 -ATOM 3737 C CG . MET F 3 120 . 27.719 53.14 13.321 1 14.42 ? CG MET B 120 1 -ATOM 3738 S SD . MET F 3 120 . 26.207 52.193 13.016 1 21.76 ? SD MET B 120 1 -ATOM 3739 C CE . MET F 3 120 . 25.128 53.111 14.061 1 18.57 ? CE MET B 120 1 -ATOM 3740 N N . ALA F 3 121 . 28.129 57.7 12.726 1 14.97 ? N ALA B 121 1 -ATOM 3741 C CA . ALA F 3 121 . 27.829 58.977 12.127 1 13.16 ? CA ALA B 121 1 -ATOM 3742 C C . ALA F 3 121 . 29.076 59.622 11.592 1 15.04 ? C ALA B 121 1 -ATOM 3743 O O . ALA F 3 121 . 29.053 60.12 10.47 1 25.68 ? O ALA B 121 1 -ATOM 3744 C CB . ALA F 3 121 . 27.195 59.893 13.14 1 30.92 ? CB ALA B 121 1 -ATOM 3745 N N . ARG F 3 122 . 30.176 59.625 12.319 1 6 ? N ARG B 122 1 -ATOM 3746 C CA . ARG F 3 122 . 31.26 60.284 11.666 1 12.43 ? CA ARG B 122 1 -ATOM 3747 C C . ARG F 3 122 . 31.847 59.419 10.595 1 21.97 ? C ARG B 122 1 -ATOM 3748 O O . ARG F 3 122 . 32.39 59.942 9.596 1 32.36 ? O ARG B 122 1 -ATOM 3749 C CB . ARG F 3 122 . 32.334 60.698 12.668 1 15.11 ? CB ARG B 122 1 -ATOM 3750 C CG . ARG F 3 122 . 31.812 61.893 13.549 1 32.79 ? CG ARG B 122 1 -ATOM 3751 C CD . ARG F 3 122 . 30.726 62.871 12.887 1 34.68 ? CD ARG B 122 1 -ATOM 3752 N NE . ARG F 3 122 . 31.056 63.57 11.623 1 40.65 ? NE ARG B 122 1 -ATOM 3753 C CZ . ARG F 3 122 . 30.204 64.329 10.91 1 35.47 ? CZ ARG B 122 1 -ATOM 3754 N NH1 . ARG F 3 122 . 28.954 64.524 11.289 1 35.14 ? NH1 ARG B 122 1 -ATOM 3755 N NH2 . ARG F 3 122 . 30.587 64.922 9.795 1 36.21 ? NH2 ARG B 122 1 -ATOM 3756 N N . ARG F 3 123 . 31.721 58.102 10.752 1 31.72 ? N ARG B 123 1 -ATOM 3757 C CA . ARG F 3 123 . 32.241 57.213 9.707 1 28.48 ? CA ARG B 123 1 -ATOM 3758 C C . ARG F 3 123 . 31.423 57.307 8.437 1 22.27 ? C ARG B 123 1 -ATOM 3759 O O . ARG F 3 123 . 31.967 57.063 7.392 1 18.23 ? O ARG B 123 1 -ATOM 3760 C CB . ARG F 3 123 . 32.245 55.759 10.162 1 22.47 ? CB ARG B 123 1 -ATOM 3761 C CG . ARG F 3 123 . 33.297 55.49 11.184 1 20.81 ? CG ARG B 123 1 -ATOM 3762 C CD . ARG F 3 123 . 32.973 54.2 11.837 1 20.58 ? CD ARG B 123 1 -ATOM 3763 N NE . ARG F 3 123 . 33.871 53.904 12.936 1 21.43 ? NE ARG B 123 1 -ATOM 3764 C CZ . ARG F 3 123 . 33.573 53.029 13.89 1 21.5 ? CZ ARG B 123 1 -ATOM 3765 N NH1 . ARG F 3 123 . 32.408 52.379 13.885 1 17.9 ? NH1 ARG B 123 1 -ATOM 3766 N NH2 . ARG F 3 123 . 34.455 52.779 14.828 1 19.75 ? NH2 ARG B 123 1 -ATOM 3767 N N . LEU F 3 124 . 30.137 57.636 8.492 1 12.68 ? N LEU B 124 1 -ATOM 3768 C CA . LEU F 3 124 . 29.429 57.745 7.231 1 9.16 ? CA LEU B 124 1 -ATOM 3769 C C . LEU F 3 124 . 29.859 59.048 6.586 1 14.29 ? C LEU B 124 1 -ATOM 3770 O O . LEU F 3 124 . 29.702 59.226 5.394 1 20.26 ? O LEU B 124 1 -ATOM 3771 C CB . LEU F 3 124 . 27.903 57.731 7.445 1 10.6 ? CB LEU B 124 1 -ATOM 3772 C CG . LEU F 3 124 . 26.979 57.641 6.209 1 20.56 ? CG LEU B 124 1 -ATOM 3773 C CD1 . LEU F 3 124 . 25.547 57.18 6.558 1 17.46 ? CD1 LEU B 124 1 -ATOM 3774 C CD2 . LEU F 3 124 . 26.898 59.032 5.612 1 28.61 ? CD2 LEU B 124 1 -ATOM 3775 N N . GLN F 3 125 . 30.432 59.97 7.36 1 18.57 ? N GLN B 125 1 -ATOM 3776 C CA . GLN F 3 125 . 30.872 61.227 6.759 1 20.3 ? CA GLN B 125 1 -ATOM 3777 C C . GLN F 3 125 . 32.277 61.071 6.209 1 16.47 ? C GLN B 125 1 -ATOM 3778 O O . GLN F 3 125 . 32.545 61.484 5.08 1 24.07 ? O GLN B 125 1 -ATOM 3779 C CB . GLN F 3 125 . 30.843 62.376 7.787 1 19.67 ? CB GLN B 125 1 -ATOM 3780 C CG . GLN F 3 125 . 30.854 63.805 7.135 1 37.57 ? CG GLN B 125 1 -ATOM 3781 C CD . GLN F 3 125 . 32.149 64.214 6.38 1 39.27 ? CD GLN B 125 1 -ATOM 3782 O OE1 . GLN F 3 125 . 32.143 64.407 5.158 1 49.89 ? OE1 GLN B 125 1 -ATOM 3783 N NE2 . GLN F 3 125 . 33.246 64.361 7.114 1 35.42 ? NE2 GLN B 125 1 -ATOM 3784 N N . VAL F 3 126 . 33.175 60.504 7 1 6 ? N VAL B 126 1 -ATOM 3785 C CA . VAL F 3 126 . 34.537 60.277 6.538 1 8.95 ? CA VAL B 126 1 -ATOM 3786 C C . VAL F 3 126 . 34.529 59.417 5.202 1 15.59 ? C VAL B 126 1 -ATOM 3787 O O . VAL F 3 126 . 35.297 59.712 4.276 1 20 ? O VAL B 126 1 -ATOM 3788 C CB . VAL F 3 126 . 35.38 59.55 7.721 1 8.3 ? CB VAL B 126 1 -ATOM 3789 C CG1 . VAL F 3 126 . 34.905 58.18 7.894 1 15.07 ? CG1 VAL B 126 1 -ATOM 3790 C CG2 . VAL F 3 126 . 36.873 59.493 7.417 1 7.72 ? CG2 VAL B 126 1 -ATOM 3791 N N . THR F 3 127 . 33.644 58.404 5.088 1 19.23 ? N THR B 127 1 -ATOM 3792 C CA . THR F 3 127 . 33.524 57.507 3.918 1 15.4 ? CA THR B 127 1 -ATOM 3793 C C . THR F 3 127 . 32.979 58.201 2.645 1 16.94 ? C THR B 127 1 -ATOM 3794 O O . THR F 3 127 . 33.559 58.063 1.576 1 19.91 ? O THR B 127 1 -ATOM 3795 C CB . THR F 3 127 . 32.61 56.314 4.253 1 24.38 ? CB THR B 127 1 -ATOM 3796 O OG1 . THR F 3 127 . 33.053 55.68 5.45 1 31.04 ? OG1 THR B 127 1 -ATOM 3797 C CG2 . THR F 3 127 . 32.682 55.284 3.172 1 23.17 ? CG2 THR B 127 1 -ATOM 3798 N N . SER F 3 128 . 31.845 58.894 2.75 1 10.8 ? N SER B 128 1 -ATOM 3799 C CA . SER F 3 128 . 31.315 59.674 1.655 1 7.58 ? CA SER B 128 1 -ATOM 3800 C C . SER F 3 128 . 32.423 60.618 1.07 1 12.15 ? C SER B 128 1 -ATOM 3801 O O . SER F 3 128 . 32.607 60.72 -0.158 1 8.04 ? O SER B 128 1 -ATOM 3802 C CB . SER F 3 128 . 30.15 60.476 2.167 1 7.96 ? CB SER B 128 1 -ATOM 3803 O OG . SER F 3 128 . 29.043 59.65 2.485 1 6 ? OG SER B 128 1 -ATOM 3804 N N . GLU F 3 129 . 33.206 61.266 1.927 1 11.45 ? N GLU B 129 1 -ATOM 3805 C CA . GLU F 3 129 . 34.292 62.12 1.433 1 11.66 ? CA GLU B 129 1 -ATOM 3806 C C . GLU F 3 129 . 35.148 61.257 0.502 1 11.95 ? C GLU B 129 1 -ATOM 3807 O O . GLU F 3 129 . 35.29 61.536 -0.678 1 24.96 ? O GLU B 129 1 -ATOM 3808 C CB . GLU F 3 129 . 35.167 62.635 2.591 1 6 ? CB GLU B 129 1 -ATOM 3809 C CG . GLU F 3 129 . 35.61 64.074 2.373 1 23 ? CG GLU B 129 1 -ATOM 3810 C CD . GLU F 3 129 . 36.908 64.446 3.091 1 20.21 ? CD GLU B 129 1 -ATOM 3811 O OE1 . GLU F 3 129 . 36.893 64.789 4.286 1 31.85 ? OE1 GLU B 129 1 -ATOM 3812 O OE2 . GLU F 3 129 . 37.975 64.394 2.452 1 27.65 ? OE2 GLU B 129 1 -ATOM 3813 N N . LYS F 3 130 . 35.689 60.177 1.048 1 16.14 ? N LYS B 130 1 -ATOM 3814 C CA . LYS F 3 130 . 36.5 59.203 0.321 1 14.93 ? CA LYS B 130 1 -ATOM 3815 C C . LYS F 3 130 . 35.835 58.836 -1.036 1 14.28 ? C LYS B 130 1 -ATOM 3816 O O . LYS F 3 130 . 36.557 58.632 -2.001 1 11.83 ? O LYS B 130 1 -ATOM 3817 C CB . LYS F 3 130 . 36.679 57.962 1.231 1 16.37 ? CB LYS B 130 1 -ATOM 3818 C CG . LYS F 3 130 . 37.362 56.738 0.607 1 19.85 ? CG LYS B 130 1 -ATOM 3819 C CD . LYS F 3 130 . 38.604 56.245 1.372 1 21.79 ? CD LYS B 130 1 -ATOM 3820 C CE . LYS F 3 130 . 39.044 54.827 0.869 1 21.85 ? CE LYS B 130 1 -ATOM 3821 N NZ . LYS F 3 130 . 40.374 54.326 1.362 1 21.02 ? NZ LYS B 130 1 -ATOM 3822 N N . VAL F 3 131 . 34.504 58.722 -1.147 1 6 ? N VAL B 131 1 -ATOM 3823 C CA . VAL F 3 131 . 33.939 58.472 -2.47 1 11.08 ? CA VAL B 131 1 -ATOM 3824 C C . VAL F 3 131 . 34.271 59.69 -3.361 1 10.79 ? C VAL B 131 1 -ATOM 3825 O O . VAL F 3 131 . 34.871 59.55 -4.417 1 20.71 ? O VAL B 131 1 -ATOM 3826 C CB . VAL F 3 131 . 32.384 58.3 -2.432 1 16.43 ? CB VAL B 131 1 -ATOM 3827 C CG1 . VAL F 3 131 . 31.804 58.196 -3.843 1 6 ? CG1 VAL B 131 1 -ATOM 3828 C CG2 . VAL F 3 131 . 32.042 57.038 -1.676 1 22.52 ? CG2 VAL B 131 1 -ATOM 3829 N N . GLY F 3 132 . 33.937 60.888 -2.902 1 12.82 ? N GLY B 132 1 -ATOM 3830 C CA . GLY F 3 132 . 34.188 62.114 -3.661 1 15.93 ? CA GLY B 132 1 -ATOM 3831 C C . GLY F 3 132 . 35.634 62.332 -4.073 1 17.35 ? C GLY B 132 1 -ATOM 3832 O O . GLY F 3 132 . 35.883 62.873 -5.145 1 25.45 ? O GLY B 132 1 -ATOM 3833 N N . ASN F 3 133 . 36.597 61.971 -3.24 1 6 ? N ASN B 133 1 -ATOM 3834 C CA . ASN F 3 133 . 37.972 62.101 -3.636 1 6 ? CA ASN B 133 1 -ATOM 3835 C C . ASN F 3 133 . 38.319 61.114 -4.754 1 10.86 ? C ASN B 133 1 -ATOM 3836 O O . ASN F 3 133 . 39.092 61.416 -5.648 1 26.23 ? O ASN B 133 1 -ATOM 3837 C CB . ASN F 3 133 . 38.888 61.825 -2.467 1 15.42 ? CB ASN B 133 1 -ATOM 3838 C CG . ASN F 3 133 . 38.73 62.82 -1.357 1 25.45 ? CG ASN B 133 1 -ATOM 3839 O OD1 . ASN F 3 133 . 37.754 63.59 -1.328 1 34.73 ? OD1 ASN B 133 1 -ATOM 3840 N ND2 . ASN F 3 133 . 39.691 62.82 -0.424 1 20.65 ? ND2 ASN B 133 1 -ATOM 3841 N N . LEU F 3 134 . 37.789 59.904 -4.678 1 14.24 ? N LEU B 134 1 -ATOM 3842 C CA . LEU F 3 134 . 38.072 58.891 -5.658 1 8.73 ? CA LEU B 134 1 -ATOM 3843 C C . LEU F 3 134 . 37.54 59.307 -6.984 1 15.86 ? C LEU B 134 1 -ATOM 3844 O O . LEU F 3 134 . 38.081 58.944 -8.014 1 17.35 ? O LEU B 134 1 -ATOM 3845 C CB . LEU F 3 134 . 37.429 57.578 -5.255 1 17.51 ? CB LEU B 134 1 -ATOM 3846 C CG . LEU F 3 134 . 38.083 56.84 -4.1 1 8.07 ? CG LEU B 134 1 -ATOM 3847 C CD1 . LEU F 3 134 . 37.243 55.649 -3.672 1 11.18 ? CD1 LEU B 134 1 -ATOM 3848 C CD2 . LEU F 3 134 . 39.427 56.402 -4.546 1 12.76 ? CD2 LEU B 134 1 -ATOM 3849 N N . ALA F 3 135 . 36.486 60.101 -6.965 1 6.03 ? N ALA B 135 1 -ATOM 3850 C CA . ALA F 3 135 . 35.852 60.491 -8.198 1 12.61 ? CA ALA B 135 1 -ATOM 3851 C C . ALA F 3 135 . 36.146 61.897 -8.755 1 14.83 ? C ALA B 135 1 -ATOM 3852 O O . ALA F 3 135 . 35.803 62.15 -9.922 1 11.33 ? O ALA B 135 1 -ATOM 3853 C CB . ALA F 3 135 . 34.377 60.337 -8.022 1 12.38 ? CB ALA B 135 1 -ATOM 3854 N N . PHE F 3 136 . 36.716 62.801 -7.957 1 11.8 ? N PHE B 136 1 -ATOM 3855 C CA . PHE F 3 136 . 36.961 64.184 -8.384 1 18.03 ? CA PHE B 136 1 -ATOM 3856 C C . PHE F 3 136 . 38.46 64.559 -8.507 1 20.12 ? C PHE B 136 1 -ATOM 3857 O O . PHE F 3 136 . 38.845 65.383 -9.34 1 26.36 ? O PHE B 136 1 -ATOM 3858 C CB . PHE F 3 136 . 36.297 65.172 -7.39 1 10.56 ? CB PHE B 136 1 -ATOM 3859 C CG . PHE F 3 136 . 34.769 65.186 -7.404 1 19.16 ? CG PHE B 136 1 -ATOM 3860 C CD1 . PHE F 3 136 . 34.038 64.808 -8.531 1 15.55 ? CD1 PHE B 136 1 -ATOM 3861 C CD2 . PHE F 3 136 . 34.069 65.603 -6.278 1 8.01 ? CD2 PHE B 136 1 -ATOM 3862 C CE1 . PHE F 3 136 . 32.633 64.847 -8.532 1 21.46 ? CE1 PHE B 136 1 -ATOM 3863 C CE2 . PHE F 3 136 . 32.7 65.641 -6.278 1 16.09 ? CE2 PHE B 136 1 -ATOM 3864 C CZ . PHE F 3 136 . 31.968 65.261 -7.416 1 15.36 ? CZ PHE B 136 1 -ATOM 3865 N N . LEU F 3 137 . 39.276 63.989 -7.634 1 12.22 ? N LEU B 137 1 -ATOM 3866 C CA . LEU F 3 137 . 40.702 64.241 -7.543 1 15.52 ? CA LEU B 137 1 -ATOM 3867 C C . LEU F 3 137 . 41.508 63.185 -8.305 1 18.41 ? C LEU B 137 1 -ATOM 3868 O O . LEU F 3 137 . 41.146 62.006 -8.312 1 23.05 ? O LEU B 137 1 -ATOM 3869 C CB . LEU F 3 137 . 41.104 64.244 -6.055 1 18 ? CB LEU B 137 1 -ATOM 3870 C CG . LEU F 3 137 . 40.643 65.305 -5.042 1 13.34 ? CG LEU B 137 1 -ATOM 3871 C CD1 . LEU F 3 137 . 39.145 65.354 -4.903 1 20.49 ? CD1 LEU B 137 1 -ATOM 3872 C CD2 . LEU F 3 137 . 41.215 64.948 -3.727 1 16.84 ? CD2 LEU B 137 1 -ATOM 3873 N N . ASP F 3 138 . 42.584 63.577 -8.97 1 22.68 ? N ASP B 138 1 -ATOM 3874 C CA . ASP F 3 138 . 43.387 62.577 -9.636 1 22.09 ? CA ASP B 138 1 -ATOM 3875 C C . ASP F 3 138 . 44.246 61.97 -8.544 1 25.28 ? C ASP B 138 1 -ATOM 3876 O O . ASP F 3 138 . 44.199 62.453 -7.414 1 36.18 ? O ASP B 138 1 -ATOM 3877 C CB . ASP F 3 138 . 44.219 63.25 -10.731 1 28.7 ? CB ASP B 138 1 -ATOM 3878 C CG . ASP F 3 138 . 45.076 64.429 -10.232 1 37.04 ? CG ASP B 138 1 -ATOM 3879 O OD1 . ASP F 3 138 . 45.119 64.716 -8.994 1 34.49 ? OD1 ASP B 138 1 -ATOM 3880 O OD2 . ASP F 3 138 . 45.714 65.068 -11.122 1 29.88 ? OD2 ASP B 138 1 -ATOM 3881 N N . VAL F 3 139 . 45.057 60.958 -8.811 1 24.71 ? N VAL B 139 1 -ATOM 3882 C CA . VAL F 3 139 . 45.8 60.372 -7.694 1 21.17 ? CA VAL B 139 1 -ATOM 3883 C C . VAL F 3 139 . 46.641 61.35 -6.907 1 19.93 ? C VAL B 139 1 -ATOM 3884 O O . VAL F 3 139 . 46.61 61.356 -5.677 1 24.54 ? O VAL B 139 1 -ATOM 3885 C CB . VAL F 3 139 . 46.744 59.261 -8.151 1 17.54 ? CB VAL B 139 1 -ATOM 3886 C CG1 . VAL F 3 139 . 47.612 59.765 -9.247 1 20.87 ? CG1 VAL B 139 1 -ATOM 3887 C CG2 . VAL F 3 139 . 47.635 58.818 -6.997 1 21.72 ? CG2 VAL B 139 1 -ATOM 3888 N N . THR F 3 140 . 47.378 62.182 -7.606 1 15.47 ? N THR B 140 1 -ATOM 3889 C CA . THR F 3 140 . 48.29 63.094 -6.948 1 23.09 ? CA THR B 140 1 -ATOM 3890 C C . THR F 3 140 . 47.601 63.827 -5.83 1 23.55 ? C THR B 140 1 -ATOM 3891 O O . THR F 3 140 . 48.171 64.024 -4.763 1 32.52 ? O THR B 140 1 -ATOM 3892 C CB . THR F 3 140 . 48.83 64.122 -7.93 1 36.35 ? CB THR B 140 1 -ATOM 3893 O OG1 . THR F 3 140 . 49.309 63.447 -9.099 1 49.26 ? OG1 THR B 140 1 -ATOM 3894 C CG2 . THR F 3 140 . 49.975 64.901 -7.312 1 37.86 ? CG2 THR B 140 1 -ATOM 3895 N N . GLY F 3 141 . 46.35 64.191 -6.075 1 28.77 ? N GLY B 141 1 -ATOM 3896 C CA . GLY F 3 141 . 45.581 64.957 -5.103 1 31.58 ? CA GLY B 141 1 -ATOM 3897 C C . GLY F 3 141 . 45.141 64.13 -3.924 1 31.19 ? C GLY B 141 1 -ATOM 3898 O O . GLY F 3 141 . 45.248 64.56 -2.763 1 37.76 ? O GLY B 141 1 -ATOM 3899 N N . ARG F 3 142 . 44.603 62.956 -4.223 1 31.85 ? N ARG B 142 1 -ATOM 3900 C CA . ARG F 3 142 . 44.211 62.081 -3.157 1 25.46 ? CA ARG B 142 1 -ATOM 3901 C C . ARG F 3 142 . 45.45 61.869 -2.261 1 25.68 ? C ARG B 142 1 -ATOM 3902 O O . ARG F 3 142 . 45.363 62.027 -1.069 1 27.72 ? O ARG B 142 1 -ATOM 3903 C CB . ARG F 3 142 . 43.722 60.763 -3.742 1 22.37 ? CB ARG B 142 1 -ATOM 3904 C CG . ARG F 3 142 . 42.5 60.883 -4.651 1 26.83 ? CG ARG B 142 1 -ATOM 3905 C CD . ARG F 3 142 . 41.977 59.512 -5.169 1 23.63 ? CD ARG B 142 1 -ATOM 3906 N NE . ARG F 3 142 . 42.94 58.803 -6.021 1 25.58 ? NE ARG B 142 1 -ATOM 3907 C CZ . ARG F 3 142 . 42.659 57.742 -6.776 1 26.34 ? CZ ARG B 142 1 -ATOM 3908 N NH1 . ARG F 3 142 . 41.441 57.241 -6.792 1 34.31 ? NH1 ARG B 142 1 -ATOM 3909 N NH2 . ARG F 3 142 . 43.585 57.196 -7.543 1 19.41 ? NH2 ARG B 142 1 -ATOM 3910 N N . ILE F 3 143 . 46.626 61.591 -2.804 1 26.2 ? N ILE B 143 1 -ATOM 3911 C CA . ILE F 3 143 . 47.767 61.371 -1.927 1 22.59 ? CA ILE B 143 1 -ATOM 3912 C C . ILE F 3 143 . 48.079 62.556 -1.008 1 26.27 ? C ILE B 143 1 -ATOM 3913 O O . ILE F 3 143 . 48.538 62.353 0.115 1 26.91 ? O ILE B 143 1 -ATOM 3914 C CB . ILE F 3 143 . 49.051 61.046 -2.743 1 22.51 ? CB ILE B 143 1 -ATOM 3915 C CG1 . ILE F 3 143 . 48.902 59.687 -3.421 1 15.96 ? CG1 ILE B 143 1 -ATOM 3916 C CG2 . ILE F 3 143 . 50.274 60.991 -1.812 1 22.73 ? CG2 ILE B 143 1 -ATOM 3917 C CD1 . ILE F 3 143 . 50.195 59.206 -4.005 1 22.99 ? CD1 ILE B 143 1 -ATOM 3918 N N . ALA F 3 144 . 47.855 63.789 -1.445 1 26.86 ? N ALA B 144 1 -ATOM 3919 C CA . ALA F 3 144 . 48.167 64.906 -0.564 1 30.91 ? CA ALA B 144 1 -ATOM 3920 C C . ALA F 3 144 . 47.135 65.015 0.571 1 33.44 ? C ALA B 144 1 -ATOM 3921 O O . ALA F 3 144 . 47.458 65.51 1.658 1 31.27 ? O ALA B 144 1 -ATOM 3922 C CB . ALA F 3 144 . 48.207 66.195 -1.368 1 31.26 ? CB ALA B 144 1 -ATOM 3923 N N . GLN F 3 145 . 45.893 64.597 0.321 1 26 ? N GLN B 145 1 -ATOM 3924 C CA . GLN F 3 145 . 44.905 64.565 1.39 1 28.49 ? CA GLN B 145 1 -ATOM 3925 C C . GLN F 3 145 . 45.285 63.446 2.373 1 32.2 ? C GLN B 145 1 -ATOM 3926 O O . GLN F 3 145 . 45.2 63.601 3.6 1 35.21 ? O GLN B 145 1 -ATOM 3927 C CB . GLN F 3 145 . 43.509 64.298 0.828 1 33.11 ? CB GLN B 145 1 -ATOM 3928 C CG . GLN F 3 145 . 42.873 65.53 0.117 1 39.62 ? CG GLN B 145 1 -ATOM 3929 C CD . GLN F 3 145 . 41.639 66.075 0.844 1 39.15 ? CD GLN B 145 1 -ATOM 3930 O OE1 . GLN F 3 145 . 41.691 66.411 2.036 1 35.62 ? OE1 GLN B 145 1 -ATOM 3931 N NE2 . GLN F 3 145 . 40.515 66.15 0.123 1 48.64 ? NE2 GLN B 145 1 -ATOM 3932 N N . THR F 3 146 . 45.706 62.307 1.838 1 31.18 ? N THR B 146 1 -ATOM 3933 C CA . THR F 3 146 . 46.137 61.186 2.663 1 25.08 ? CA THR B 146 1 -ATOM 3934 C C . THR F 3 146 . 47.327 61.604 3.537 1 24.65 ? C THR B 146 1 -ATOM 3935 O O . THR F 3 146 . 47.277 61.392 4.75 1 22.06 ? O THR B 146 1 -ATOM 3936 C CB . THR F 3 146 . 46.5 60.021 1.735 1 16.96 ? CB THR B 146 1 -ATOM 3937 O OG1 . THR F 3 146 . 45.279 59.522 1.188 1 14.17 ? OG1 THR B 146 1 -ATOM 3938 C CG2 . THR F 3 146 . 47.273 58.931 2.452 1 24.2 ? CG2 THR B 146 1 -ATOM 3939 N N . LEU F 3 147 . 48.358 62.221 2.936 1 21.29 ? N LEU B 147 1 -ATOM 3940 C CA . LEU F 3 147 . 49.525 62.693 3.678 1 23.74 ? CA LEU B 147 1 -ATOM 3941 C C . LEU F 3 147 . 49.137 63.771 4.687 1 26.49 ? C LEU B 147 1 -ATOM 3942 O O . LEU F 3 147 . 49.794 63.955 5.719 1 32.72 ? O LEU B 147 1 -ATOM 3943 C CB . LEU F 3 147 . 50.582 63.227 2.706 1 30.23 ? CB LEU B 147 1 -ATOM 3944 C CG . LEU F 3 147 . 51.07 62.103 1.774 1 32.85 ? CG LEU B 147 1 -ATOM 3945 C CD1 . LEU F 3 147 . 52.528 62.339 1.401 1 25.47 ? CD1 LEU B 147 1 -ATOM 3946 C CD2 . LEU F 3 147 . 50.994 60.76 2.493 1 31.35 ? CD2 LEU B 147 1 -ATOM 3947 N N . LEU F 3 148 . 48.045 64.58 4.591 1 30.37 ? N LEU B 148 1 -ATOM 3948 C CA . LEU F 3 148 . 47.562 65.608 5.485 1 33.47 ? CA LEU B 148 1 -ATOM 3949 C C . LEU F 3 148 . 46.823 64.85 6.61 1 30.49 ? C LEU B 148 1 -ATOM 3950 O O . LEU F 3 148 . 47.376 64.706 7.697 1 29.91 ? O LEU B 148 1 -ATOM 3951 C CB . LEU F 3 148 . 46.619 66.555 4.722 1 35.58 ? CB LEU B 148 1 -ATOM 3952 C CG . LEU F 3 148 . 47.059 68.031 4.696 1 43.84 ? CG LEU B 148 1 -ATOM 3953 C CD1 . LEU F 3 148 . 48.463 68.129 4.098 1 43.67 ? CD1 LEU B 148 1 -ATOM 3954 C CD2 . LEU F 3 148 . 46.048 68.862 3.895 1 37.67 ? CD2 LEU B 148 1 -ATOM 3955 N N . ASN F 3 149 . 45.649 64.28 6.298 1 29.34 ? N ASN B 149 1 -ATOM 3956 C CA . ASN F 3 149 . 44.803 63.477 7.202 1 30.43 ? CA ASN B 149 1 -ATOM 3957 C C . ASN F 3 149 . 45.559 62.391 7.989 1 36.59 ? C ASN B 149 1 -ATOM 3958 O O . ASN F 3 149 . 45.274 62.183 9.182 1 44.05 ? O ASN B 149 1 -ATOM 3959 C CB . ASN F 3 149 . 43.657 62.803 6.404 1 43.77 ? CB ASN B 149 1 -ATOM 3960 C CG . ASN F 3 149 . 42.532 63.796 5.972 1 50.5 ? CG ASN B 149 1 -ATOM 3961 O OD1 . ASN F 3 149 . 41.773 64.313 6.807 1 54.81 ? OD1 ASN B 149 1 -ATOM 3962 N ND2 . ASN F 3 149 . 42.42 64.045 4.665 1 44.07 ? ND2 ASN B 149 1 -ATOM 3963 N N . LEU F 3 150 . 46.5 61.686 7.368 1 28.2 ? N LEU B 150 1 -ATOM 3964 C CA . LEU F 3 150 . 47.252 60.701 8.124 1 29 ? CA LEU B 150 1 -ATOM 3965 C C . LEU F 3 150 . 48.101 61.383 9.16 1 30.94 ? C LEU B 150 1 -ATOM 3966 O O . LEU F 3 150 . 48.02 61.119 10.362 1 33.3 ? O LEU B 150 1 -ATOM 3967 C CB . LEU F 3 150 . 48.197 59.9 7.237 1 30.48 ? CB LEU B 150 1 -ATOM 3968 C CG . LEU F 3 150 . 47.712 58.822 6.268 1 32.55 ? CG LEU B 150 1 -ATOM 3969 C CD1 . LEU F 3 150 . 48.86 58.436 5.328 1 25.04 ? CD1 LEU B 150 1 -ATOM 3970 C CD2 . LEU F 3 150 . 47.206 57.619 7.068 1 33.4 ? CD2 LEU B 150 1 -ATOM 3971 N N . ALA F 3 151 . 48.945 62.26 8.64 1 35.89 ? N ALA B 151 1 -ATOM 3972 C CA . ALA F 3 151 . 49.911 62.994 9.425 1 38.49 ? CA ALA B 151 1 -ATOM 3973 C C . ALA F 3 151 . 49.263 63.982 10.393 1 38.55 ? C ALA B 151 1 -ATOM 3974 O O . ALA F 3 151 . 49.517 65.171 10.334 1 35.91 ? O ALA B 151 1 -ATOM 3975 C CB . ALA F 3 151 . 50.849 63.716 8.469 1 37.11 ? CB ALA B 151 1 -ATOM 3976 N N . LYS F 3 152 . 48.456 63.474 11.311 1 39.55 ? N LYS B 152 1 -ATOM 3977 C CA . LYS F 3 152 . 47.762 64.29 12.31 1 39.82 ? CA LYS B 152 1 -ATOM 3978 C C . LYS F 3 152 . 47.097 63.343 13.328 1 45.4 ? C LYS B 152 1 -ATOM 3979 O O . LYS F 3 152 . 47.347 63.475 14.534 1 50.61 ? O LYS B 152 1 -ATOM 3980 C CB . LYS F 3 152 . 46.696 65.171 11.637 1 44.12 ? CB LYS B 152 1 -ATOM 3981 C CG . LYS F 3 152 . 45.904 66.075 12.594 1 48.42 ? CG LYS B 152 1 -ATOM 3982 C CD . LYS F 3 152 . 44.689 66.68 11.891 1 51.82 ? CD LYS B 152 1 -ATOM 3983 C CE . LYS F 3 152 . 43.669 67.278 12.877 1 52.07 ? CE LYS B 152 1 -ATOM 3984 N NZ . LYS F 3 152 . 44.139 68.422 13.702 1 40.63 ? NZ LYS B 152 1 -ATOM 3985 N N . GLN F 3 153 . 46.273 62.4 12.85 1 45.18 ? N GLN B 153 1 -ATOM 3986 C CA . GLN F 3 153 . 45.621 61.377 13.69 1 44.36 ? CA GLN B 153 1 -ATOM 3987 C C . GLN F 3 153 . 46.688 60.682 14.582 1 46.16 ? C GLN B 153 1 -ATOM 3988 O O . GLN F 3 153 . 47.806 60.444 14.116 1 51.06 ? O GLN B 153 1 -ATOM 3989 C CB . GLN F 3 153 . 44.957 60.339 12.782 1 45.12 ? CB GLN B 153 1 -ATOM 3990 C CG . GLN F 3 153 . 44.263 59.139 13.463 1 44.46 ? CG GLN B 153 1 -ATOM 3991 C CD . GLN F 3 153 . 43.84 58.04 12.459 1 42.69 ? CD GLN B 153 1 -ATOM 3992 O OE1 . GLN F 3 153 . 44.689 57.485 11.756 1 36.97 ? OE1 GLN B 153 1 -ATOM 3993 N NE2 . GLN F 3 153 . 42.536 57.732 12.394 1 37 ? NE2 GLN B 153 1 -ATOM 3994 N N . PRO F 3 154 . 46.375 60.349 15.856 1 44.48 ? N PRO B 154 1 -ATOM 3995 C CA . PRO F 3 154 . 47.33 59.796 16.833 1 45.29 ? CA PRO B 154 1 -ATOM 3996 C C . PRO F 3 154 . 48.086 58.512 16.433 1 48.4 ? C PRO B 154 1 -ATOM 3997 O O . PRO F 3 154 . 47.643 57.383 16.624 1 51.99 ? O PRO B 154 1 -ATOM 3998 C CB . PRO F 3 154 . 46.486 59.655 18.092 1 50.13 ? CB PRO B 154 1 -ATOM 3999 C CG . PRO F 3 154 . 45.624 60.875 18 1 55 ? CG PRO B 154 1 -ATOM 4000 C CD . PRO F 3 154 . 45.092 60.628 16.568 1 47.81 ? CD PRO B 154 1 -ATOM 4001 N N . ASP F 3 155 . 49.271 58.836 15.919 1 47.86 ? N ASP B 155 1 -ATOM 4002 C CA . ASP F 3 155 . 50.307 57.924 15.422 1 48.66 ? CA ASP B 155 1 -ATOM 4003 C C . ASP F 3 155 . 51.511 58.767 15.104 1 49.94 ? C ASP B 155 1 -ATOM 4004 O O . ASP F 3 155 . 52.688 58.38 15.158 1 45.02 ? O ASP B 155 1 -ATOM 4005 C CB . ASP F 3 155 . 49.861 57.155 14.123 1 55 ? CB ASP B 155 1 -ATOM 4006 C CG . ASP F 3 155 . 50.571 57.591 12.799 1 54.97 ? CG ASP B 155 1 -ATOM 4007 O OD1 . ASP F 3 155 . 51.786 57.298 12.542 1 44.54 ? OD1 ASP B 155 1 -ATOM 4008 O OD2 . ASP F 3 155 . 49.881 58.23 11.96 1 44.54 ? OD2 ASP B 155 1 -ATOM 4009 N N . ALA F 3 156 . 51.065 59.955 14.702 1 54.47 ? N ALA B 156 1 -ATOM 4010 C CA . ALA F 3 156 . 51.808 61.123 14.319 1 55 ? CA ALA B 156 1 -ATOM 4011 C C . ALA F 3 156 . 52.422 61.689 15.583 1 55 ? C ALA B 156 1 -ATOM 4012 O O . ALA F 3 156 . 51.773 61.763 16.654 1 53.46 ? O ALA B 156 1 -ATOM 4013 C CB . ALA F 3 156 . 50.866 62.14 13.676 1 51.25 ? CB ALA B 156 1 -ATOM 4014 N N . MET F 3 157 . 53.699 62.03 15.458 1 55 ? N MET B 157 1 -ATOM 4015 C CA . MET F 3 157 . 54.425 62.628 16.543 1 55 ? CA MET B 157 1 -ATOM 4016 C C . MET F 3 157 . 55.127 63.893 16.017 1 55 ? C MET B 157 1 -ATOM 4017 O O . MET F 3 157 . 55.805 63.932 14.963 1 48.49 ? O MET B 157 1 -ATOM 4018 C CB . MET F 3 157 . 55.408 61.583 17.129 1 53.29 ? CB MET B 157 1 -ATOM 4019 C CG . MET F 3 157 . 56.129 60.751 16.143 1 48.98 ? CG MET B 157 1 -ATOM 4020 S SD . MET F 3 157 . 57.179 61.862 15.329 1 51.78 ? SD MET B 157 1 -ATOM 4021 C CE . MET F 3 157 . 58.818 61.278 16.015 1 52.5 ? CE MET B 157 1 -ATOM 4022 N N . THR F 3 158 . 54.837 64.933 16.804 1 55 ? N THR B 158 1 -ATOM 4023 C CA . THR F 3 158 . 55.202 66.33 16.66 1 53.39 ? CA THR B 158 1 -ATOM 4024 C C . THR F 3 158 . 56.591 66.58 16.122 1 48.24 ? C THR B 158 1 -ATOM 4025 O O . THR F 3 158 . 57.573 66.618 16.859 1 49.13 ? O THR B 158 1 -ATOM 4026 C CB . THR F 3 158 . 55.025 67.036 18.043 1 50.88 ? CB THR B 158 1 -ATOM 4027 O OG1 . THR F 3 158 . 55.915 66.474 19.026 1 55 ? OG1 THR B 158 1 -ATOM 4028 C CG2 . THR F 3 158 . 53.585 66.83 18.536 1 53.52 ? CG2 THR B 158 1 -ATOM 4029 N N . HIS F 3 159 . 56.673 66.718 14.81 1 44.88 ? N HIS B 159 1 -ATOM 4030 C CA . HIS F 3 159 . 57.934 67.045 14.2 1 43.77 ? CA HIS B 159 1 -ATOM 4031 C C . HIS F 3 159 . 58.139 68.524 14.441 1 46.4 ? C HIS B 159 1 -ATOM 4032 O O . HIS F 3 159 . 57.165 69.284 14.555 1 40.91 ? O HIS B 159 1 -ATOM 4033 C CB . HIS F 3 159 . 57.866 66.743 12.726 1 46.27 ? CB HIS B 159 1 -ATOM 4034 C CG . HIS F 3 159 . 59.066 67.176 11.945 1 55 ? CG HIS B 159 1 -ATOM 4035 N ND1 . HIS F 3 159 . 59.009 68.169 10.989 1 53.65 ? ND1 HIS B 159 1 -ATOM 4036 C CD2 . HIS F 3 159 . 60.344 66.723 11.944 1 55 ? CD2 HIS B 159 1 -ATOM 4037 C CE1 . HIS F 3 159 . 60.197 68.309 10.429 1 54.98 ? CE1 HIS B 159 1 -ATOM 4038 N NE2 . HIS F 3 159 . 61.025 67.444 10.99 1 55 ? NE2 HIS B 159 1 -ATOM 4039 N N . PRO F 3 160 . 59.399 68.952 14.55 1 44.57 ? N PRO B 160 1 -ATOM 4040 C CA . PRO F 3 160 . 59.632 70.383 14.673 1 46.27 ? CA PRO B 160 1 -ATOM 4041 C C . PRO F 3 160 . 58.796 71.18 13.693 1 47.62 ? C PRO B 160 1 -ATOM 4042 O O . PRO F 3 160 . 57.881 71.903 14.096 1 42.67 ? O PRO B 160 1 -ATOM 4043 C CB . PRO F 3 160 . 61.154 70.5 14.484 1 49.93 ? CB PRO B 160 1 -ATOM 4044 C CG . PRO F 3 160 . 61.561 69.15 13.85 1 44.48 ? CG PRO B 160 1 -ATOM 4045 C CD . PRO F 3 160 . 60.694 68.242 14.655 1 45.18 ? CD PRO B 160 1 -ATOM 4046 N N . ASP F 3 161 . 59.066 70.972 12.411 1 47.88 ? N ASP B 161 1 -ATOM 4047 C CA . ASP F 3 161 . 58.38 71.698 11.349 1 51.76 ? CA ASP B 161 1 -ATOM 4048 C C . ASP F 3 161 . 57.628 70.797 10.384 1 48.81 ? C ASP B 161 1 -ATOM 4049 O O . ASP F 3 161 . 58.151 70.392 9.354 1 50.04 ? O ASP B 161 1 -ATOM 4050 C CB . ASP F 3 161 . 59.406 72.557 10.585 1 53.23 ? CB ASP B 161 1 -ATOM 4051 C CG . ASP F 3 161 . 60.731 71.835 10.313 1 54.5 ? CG ASP B 161 1 -ATOM 4052 O OD1 . ASP F 3 161 . 61.11 70.922 11.084 1 55 ? OD1 ASP B 161 1 -ATOM 4053 O OD2 . ASP F 3 161 . 61.413 72.204 9.327 1 46.76 ? OD2 ASP B 161 1 -ATOM 4054 N N . GLY F 3 162 . 56.383 70.51 10.753 1 51.92 ? N GLY B 162 1 -ATOM 4055 C CA . GLY F 3 162 . 55.512 69.638 9.978 1 55 ? CA GLY B 162 1 -ATOM 4056 C C . GLY F 3 162 . 55.595 68.232 10.546 1 53.21 ? C GLY B 162 1 -ATOM 4057 O O . GLY F 3 162 . 56.65 67.598 10.457 1 54.57 ? O GLY B 162 1 -ATOM 4058 N N . MET F 3 163 . 54.503 67.717 11.099 1 49.86 ? N MET B 163 1 -ATOM 4059 C CA . MET F 3 163 . 54.551 66.403 11.744 1 52.68 ? CA MET B 163 1 -ATOM 4060 C C . MET F 3 163 . 55.25 65.317 10.867 1 47.7 ? C MET B 163 1 -ATOM 4061 O O . MET F 3 163 . 55.523 65.524 9.678 1 48.63 ? O MET B 163 1 -ATOM 4062 C CB . MET F 3 163 . 53.094 66.005 12.107 1 55 ? CB MET B 163 1 -ATOM 4063 C CG . MET F 3 163 . 52.847 65.613 13.614 1 55 ? CG MET B 163 1 -ATOM 4064 S SD . MET F 3 163 . 51.658 66.625 14.644 1 55 ? SD MET B 163 1 -ATOM 4065 C CE . MET F 3 163 . 50.143 65.568 14.809 1 46.43 ? CE MET B 163 1 -ATOM 4066 N N . GLN F 3 164 . 55.587 64.186 11.483 1 45.05 ? N GLN B 164 1 -ATOM 4067 C CA . GLN F 3 164 . 56.25 63.059 10.807 1 43.95 ? CA GLN B 164 1 -ATOM 4068 C C . GLN F 3 164 . 55.277 61.874 10.714 1 38.8 ? C GLN B 164 1 -ATOM 4069 O O . GLN F 3 164 . 54.162 61.981 11.192 1 38.75 ? O GLN B 164 1 -ATOM 4070 C CB . GLN F 3 164 . 57.496 62.639 11.615 1 48.68 ? CB GLN B 164 1 -ATOM 4071 C CG . GLN F 3 164 . 58.425 61.637 10.902 1 53.71 ? CG GLN B 164 1 -ATOM 4072 C CD . GLN F 3 164 . 59.448 60.94 11.809 1 55 ? CD GLN B 164 1 -ATOM 4073 O OE1 . GLN F 3 164 . 59.585 59.718 11.753 1 55 ? OE1 GLN B 164 1 -ATOM 4074 N NE2 . GLN F 3 164 . 60.168 61.701 12.63 1 54.88 ? NE2 GLN B 164 1 -ATOM 4075 N N . ILE F 3 165 . 55.668 60.766 10.087 1 39.47 ? N ILE B 165 1 -ATOM 4076 C CA . ILE F 3 165 . 54.848 59.541 10.067 1 38.7 ? CA ILE B 165 1 -ATOM 4077 C C . ILE F 3 165 . 55.505 58.363 9.356 1 42.11 ? C ILE B 165 1 -ATOM 4078 O O . ILE F 3 165 . 56.317 58.519 8.432 1 40.68 ? O ILE B 165 1 -ATOM 4079 C CB . ILE F 3 165 . 53.459 59.695 9.359 1 37.04 ? CB ILE B 165 1 -ATOM 4080 C CG1 . ILE F 3 165 . 53.525 60.791 8.302 1 38.07 ? CG1 ILE B 165 1 -ATOM 4081 C CG2 . ILE F 3 165 . 52.397 59.929 10.39 1 31.08 ? CG2 ILE B 165 1 -ATOM 4082 C CD1 . ILE F 3 165 . 52.279 60.817 7.436 1 33.42 ? CD1 ILE B 165 1 -ATOM 4083 N N . LYS F 3 166 . 55.144 57.16 9.798 1 43.75 ? N LYS B 166 1 -ATOM 4084 C CA . LYS F 3 166 . 55.686 55.965 9.17 1 47.5 ? CA LYS B 166 1 -ATOM 4085 C C . LYS F 3 166 . 54.65 55.228 8.317 1 44.84 ? C LYS B 166 1 -ATOM 4086 O O . LYS F 3 166 . 53.716 54.611 8.843 1 50.95 ? O LYS B 166 1 -ATOM 4087 C CB . LYS F 3 166 . 56.245 55.005 10.245 1 47.59 ? CB LYS B 166 1 -ATOM 4088 C CG . LYS F 3 166 . 57.686 55.344 10.697 1 49.51 ? CG LYS B 166 1 -ATOM 4089 C CD . LYS F 3 166 . 58.351 54.263 11.567 1 46.92 ? CD LYS B 166 1 -ATOM 4090 C CE . LYS F 3 166 . 59.844 54.562 11.843 1 45.09 ? CE LYS B 166 1 -ATOM 4091 N NZ . LYS F 3 166 . 60.114 55.861 12.545 1 42.81 ? NZ LYS B 166 1 -ATOM 4092 N N . ILE F 3 167 . 54.787 55.324 6.996 1 42.84 ? N ILE B 167 1 -ATOM 4093 C CA . ILE F 3 167 . 53.883 54.597 6.088 1 37.44 ? CA ILE B 167 1 -ATOM 4094 C C . ILE F 3 167 . 54.693 54.168 4.864 1 33.72 ? C ILE B 167 1 -ATOM 4095 O O . ILE F 3 167 . 55.668 54.814 4.513 1 28.89 ? O ILE B 167 1 -ATOM 4096 C CB . ILE F 3 167 . 52.654 55.497 5.634 1 28.54 ? CB ILE B 167 1 -ATOM 4097 C CG1 . ILE F 3 167 . 51.65 54.67 4.83 1 16.11 ? CG1 ILE B 167 1 -ATOM 4098 C CG2 . ILE F 3 167 . 53.118 56.624 4.818 1 23.25 ? CG2 ILE B 167 1 -ATOM 4099 C CD1 . ILE F 3 167 . 50.659 53.871 5.696 1 18.41 ? CD1 ILE B 167 1 -ATOM 4100 N N . THR F 3 168 . 54.336 53.032 4.283 1 30.38 ? N THR B 168 1 -ATOM 4101 C CA . THR F 3 168 . 55.007 52.518 3.096 1 29.2 ? CA THR B 168 1 -ATOM 4102 C C . THR F 3 168 . 54.283 53.04 1.879 1 28.14 ? C THR B 168 1 -ATOM 4103 O O . THR F 3 168 . 53.057 53.222 1.946 1 29.74 ? O THR B 168 1 -ATOM 4104 C CB . THR F 3 168 . 54.975 50.942 3.031 1 34.9 ? CB THR B 168 1 -ATOM 4105 O OG1 . THR F 3 168 . 53.696 50.484 3.52 1 38.08 ? OG1 THR B 168 1 -ATOM 4106 C CG2 . THR F 3 168 . 56.127 50.314 3.84 1 31.41 ? CG2 THR B 168 1 -ATOM 4107 N N . ARG F 3 169 . 54.996 53.268 0.773 1 18.87 ? N ARG B 169 1 -ATOM 4108 C CA . ARG F 3 169 . 54.295 53.668 -0.445 1 15.33 ? CA ARG B 169 1 -ATOM 4109 C C . ARG F 3 169 . 53.244 52.57 -0.811 1 17.77 ? C ARG B 169 1 -ATOM 4110 O O . ARG F 3 169 . 52.151 52.828 -1.386 1 16.18 ? O ARG B 169 1 -ATOM 4111 C CB . ARG F 3 169 . 55.295 53.852 -1.577 1 16.77 ? CB ARG B 169 1 -ATOM 4112 C CG . ARG F 3 169 . 56.111 55.106 -1.384 1 29.63 ? CG ARG B 169 1 -ATOM 4113 C CD . ARG F 3 169 . 57.513 54.87 -0.805 1 36.28 ? CD ARG B 169 1 -ATOM 4114 N NE . ARG F 3 169 . 58.067 56.128 -0.303 1 41.15 ? NE ARG B 169 1 -ATOM 4115 C CZ . ARG F 3 169 . 59.2 56.238 0.379 1 44.31 ? CZ ARG B 169 1 -ATOM 4116 N NH1 . ARG F 3 169 . 59.92 55.159 0.635 1 44.6 ? NH1 ARG B 169 1 -ATOM 4117 N NH2 . ARG F 3 169 . 59.588 57.419 0.85 1 43.74 ? NH2 ARG B 169 1 -ATOM 4118 N N . GLN F 3 170 . 53.574 51.34 -0.424 1 12.48 ? N GLN B 170 1 -ATOM 4119 C CA . GLN F 3 170 . 52.676 50.217 -0.597 1 13.36 ? CA GLN B 170 1 -ATOM 4120 C C . GLN F 3 170 . 51.343 50.597 0.016 1 16.41 ? C GLN B 170 1 -ATOM 4121 O O . GLN F 3 170 . 50.29 50.573 -0.66 1 29.23 ? O GLN B 170 1 -ATOM 4122 C CB . GLN F 3 170 . 53.182 48.947 0.139 1 35.91 ? CB GLN B 170 1 -ATOM 4123 C CG . GLN F 3 170 . 54.393 48.133 -0.4 1 43.72 ? CG GLN B 170 1 -ATOM 4124 C CD . GLN F 3 170 . 54.011 47.032 -1.403 1 48.2 ? CD GLN B 170 1 -ATOM 4125 O OE1 . GLN F 3 170 . 52.829 46.673 -1.56 1 46.41 ? OE1 GLN B 170 1 -ATOM 4126 N NE2 . GLN F 3 170 . 55.022 46.49 -2.083 1 40.12 ? NE2 GLN B 170 1 -ATOM 4127 N N . GLU F 3 171 . 51.4 50.979 1.297 1 8.46 ? N GLU B 171 1 -ATOM 4128 C CA . GLU F 3 171 . 50.146 51.217 2.005 1 15.86 ? CA GLU B 171 1 -ATOM 4129 C C . GLU F 3 171 . 49.494 52.503 1.589 1 13.8 ? C GLU B 171 1 -ATOM 4130 O O . GLU F 3 171 . 48.265 52.55 1.483 1 13.97 ? O GLU B 171 1 -ATOM 4131 C CB . GLU F 3 171 . 50.369 51.183 3.557 1 25.85 ? CB GLU B 171 1 -ATOM 4132 C CG . GLU F 3 171 . 49.887 49.804 4.204 1 28.28 ? CG GLU B 171 1 -ATOM 4133 C CD . GLU F 3 171 . 49.919 49.711 5.761 1 32.91 ? CD GLU B 171 1 -ATOM 4134 O OE1 . GLU F 3 171 . 51.027 49.557 6.313 1 29.09 ? OE1 GLU B 171 1 -ATOM 4135 O OE2 . GLU F 3 171 . 48.854 49.779 6.431 1 23.53 ? OE2 GLU B 171 1 -ATOM 4136 N N . ILE F 3 172 . 50.261 53.551 1.341 1 12.08 ? N ILE B 172 1 -ATOM 4137 C CA . ILE F 3 172 . 49.581 54.722 0.807 1 20.67 ? CA ILE B 172 1 -ATOM 4138 C C . ILE F 3 172 . 48.809 54.228 -0.436 1 19.31 ? C ILE B 172 1 -ATOM 4139 O O . ILE F 3 172 . 47.63 54.596 -0.614 1 15.43 ? O ILE B 172 1 -ATOM 4140 C CB . ILE F 3 172 . 50.589 55.817 0.411 1 12.92 ? CB ILE B 172 1 -ATOM 4141 C CG1 . ILE F 3 172 . 51.058 56.553 1.663 1 6 ? CG1 ILE B 172 1 -ATOM 4142 C CG2 . ILE F 3 172 . 49.94 56.812 -0.497 1 6 ? CG2 ILE B 172 1 -ATOM 4143 C CD1 . ILE F 3 172 . 52.449 57.085 1.423 1 8.92 ? CD1 ILE B 172 1 -ATOM 4144 N N . GLY F 3 173 . 49.462 53.344 -1.213 1 11.07 ? N GLY B 173 1 -ATOM 4145 C CA . GLY F 3 173 . 48.878 52.73 -2.393 1 9.77 ? CA GLY B 173 1 -ATOM 4146 C C . GLY F 3 173 . 47.495 52.089 -2.152 1 12.47 ? C GLY B 173 1 -ATOM 4147 O O . GLY F 3 173 . 46.672 52.043 -3.081 1 21.44 ? O GLY B 173 1 -ATOM 4148 N N . GLN F 3 174 . 47.186 51.591 -0.954 1 8.06 ? N GLN B 174 1 -ATOM 4149 C CA . GLN F 3 174 . 45.877 50.963 -0.764 1 6.47 ? CA GLN B 174 1 -ATOM 4150 C C . GLN F 3 174 . 44.845 51.812 -0.097 1 9.09 ? C GLN B 174 1 -ATOM 4151 O O . GLN F 3 174 . 43.764 51.343 0.153 1 20.74 ? O GLN B 174 1 -ATOM 4152 C CB . GLN F 3 174 . 46.039 49.695 0.018 1 25.19 ? CB GLN B 174 1 -ATOM 4153 C CG . GLN F 3 174 . 46.862 48.735 -0.771 1 35.9 ? CG GLN B 174 1 -ATOM 4154 C CD . GLN F 3 174 . 47.447 47.651 0.075 1 39.18 ? CD GLN B 174 1 -ATOM 4155 O OE1 . GLN F 3 174 . 47.793 47.877 1.241 1 42.67 ? OE1 GLN B 174 1 -ATOM 4156 N NE2 . GLN F 3 174 . 47.576 46.461 -0.501 1 39.84 ? NE2 GLN B 174 1 -ATOM 4157 N N . ILE F 3 175 . 45.187 53.061 0.19 1 22.9 ? N ILE B 175 1 -ATOM 4158 C CA . ILE F 3 175 . 44.27 54.054 0.761 1 23.85 ? CA ILE B 175 1 -ATOM 4159 C C . ILE F 3 175 . 43.796 54.894 -0.417 1 18.76 ? C ILE B 175 1 -ATOM 4160 O O . ILE F 3 175 . 42.598 55.052 -0.649 1 21.28 ? O ILE B 175 1 -ATOM 4161 C CB . ILE F 3 175 . 44.998 54.997 1.823 1 25.26 ? CB ILE B 175 1 -ATOM 4162 C CG1 . ILE F 3 175 . 45.595 54.171 2.949 1 19.72 ? CG1 ILE B 175 1 -ATOM 4163 C CG2 . ILE F 3 175 . 43.989 55.933 2.494 1 18.98 ? CG2 ILE B 175 1 -ATOM 4164 C CD1 . ILE F 3 175 . 46.489 54.943 3.821 1 22.33 ? CD1 ILE B 175 1 -ATOM 4165 N N . VAL F 3 176 . 44.777 55.441 -1.133 1 9.21 ? N VAL B 176 1 -ATOM 4166 C CA . VAL F 3 176 . 44.559 56.259 -2.31 1 12.86 ? CA VAL B 176 1 -ATOM 4167 C C . VAL F 3 176 . 44.077 55.399 -3.489 1 18.75 ? C VAL B 176 1 -ATOM 4168 O O . VAL F 3 176 . 43.288 55.872 -4.328 1 28.75 ? O VAL B 176 1 -ATOM 4169 C CB . VAL F 3 176 . 45.888 57.017 -2.672 1 26.09 ? CB VAL B 176 1 -ATOM 4170 C CG1 . VAL F 3 176 . 45.826 57.599 -4.06 1 33.4 ? CG1 VAL B 176 1 -ATOM 4171 C CG2 . VAL F 3 176 . 46.07 58.211 -1.734 1 28.55 ? CG2 VAL B 176 1 -ATOM 4172 N N . GLY F 3 177 . 44.532 54.15 -3.573 1 21.8 ? N GLY B 177 1 -ATOM 4173 C CA . GLY F 3 177 . 44.062 53.269 -4.64 1 20.39 ? CA GLY B 177 1 -ATOM 4174 C C . GLY F 3 177 . 44.802 53.414 -5.959 1 24.52 ? C GLY B 177 1 -ATOM 4175 O O . GLY F 3 177 . 44.238 53.71 -7.033 1 28.43 ? O GLY B 177 1 -ATOM 4176 N N . CYS F 3 178 . 46.1 53.196 -5.876 1 17.13 ? N CYS B 178 1 -ATOM 4177 C CA . CYS F 3 178 . 46.941 53.247 -7.025 1 21.82 ? CA CYS B 178 1 -ATOM 4178 C C . CYS F 3 178 . 48.079 52.322 -6.611 1 25.7 ? C CYS B 178 1 -ATOM 4179 O O . CYS F 3 178 . 47.865 51.536 -5.692 1 31.95 ? O CYS B 178 1 -ATOM 4180 C CB . CYS F 3 178 . 47.374 54.7 -7.257 1 20.48 ? CB CYS B 178 1 -ATOM 4181 S SG . CYS F 3 178 . 48.599 55.276 -6.141 1 16.84 ? SG CYS B 178 1 -ATOM 4182 N N . SER F 3 179 . 49.274 52.375 -7.183 1 31.13 ? N SER B 179 1 -ATOM 4183 C CA . SER F 3 179 . 50.249 51.371 -6.769 1 30.74 ? CA SER B 179 1 -ATOM 4184 C C . SER F 3 179 . 51.648 51.912 -6.408 1 31.06 ? C SER B 179 1 -ATOM 4185 O O . SER F 3 179 . 52.104 52.909 -6.958 1 33.3 ? O SER B 179 1 -ATOM 4186 C CB . SER F 3 179 . 50.335 50.352 -7.888 1 21.67 ? CB SER B 179 1 -ATOM 4187 O OG . SER F 3 179 . 50.587 51.073 -9.08 1 22.31 ? OG SER B 179 1 -ATOM 4188 N N . ARG F 3 180 . 52.311 51.2 -5.485 1 21.65 ? N ARG B 180 1 -ATOM 4189 C CA . ARG F 3 180 . 53.624 51.517 -4.925 1 18.58 ? CA ARG B 180 1 -ATOM 4190 C C . ARG F 3 180 . 54.494 52.367 -5.803 1 19.51 ? C ARG B 180 1 -ATOM 4191 O O . ARG F 3 180 . 55.089 53.32 -5.305 1 26.75 ? O ARG B 180 1 -ATOM 4192 C CB . ARG F 3 180 . 54.391 50.229 -4.595 1 25.48 ? CB ARG B 180 1 -ATOM 4193 C CG . ARG F 3 180 . 55.896 50.358 -4.189 1 25.36 ? CG ARG B 180 1 -ATOM 4194 C CD . ARG F 3 180 . 56.785 49.704 -5.263 1 28.95 ? CD ARG B 180 1 -ATOM 4195 N NE . ARG F 3 180 . 56.224 48.398 -5.644 1 31.11 ? NE ARG B 180 1 -ATOM 4196 C CZ . ARG F 3 180 . 56.695 47.602 -6.603 1 36.39 ? CZ ARG B 180 1 -ATOM 4197 N NH1 . ARG F 3 180 . 57.763 47.956 -7.321 1 34.17 ? NH1 ARG B 180 1 -ATOM 4198 N NH2 . ARG F 3 180 . 56.097 46.437 -6.831 1 26.47 ? NH2 ARG B 180 1 -ATOM 4199 N N . GLU F 3 181 . 54.588 52.048 -7.091 1 27.47 ? N GLU B 181 1 -ATOM 4200 C CA . GLU F 3 181 . 55.482 52.837 -7.896 1 30.69 ? CA GLU B 181 1 -ATOM 4201 C C . GLU F 3 181 . 54.861 54.168 -8.35 1 33.28 ? C GLU B 181 1 -ATOM 4202 O O . GLU F 3 181 . 55.584 55.175 -8.4 1 36.38 ? O GLU B 181 1 -ATOM 4203 C CB . GLU F 3 181 . 55.959 51.984 -9.092 1 33 ? CB GLU B 181 1 -ATOM 4204 C CG . GLU F 3 181 . 54.976 51.468 -10.089 1 37.12 ? CG GLU B 181 1 -ATOM 4205 C CD . GLU F 3 181 . 54.299 50.183 -9.675 1 41.4 ? CD GLU B 181 1 -ATOM 4206 O OE1 . GLU F 3 181 . 54.664 49.109 -10.213 1 44.2 ? OE1 GLU B 181 1 -ATOM 4207 O OE2 . GLU F 3 181 . 53.381 50.262 -8.835 1 40.74 ? OE2 GLU B 181 1 -ATOM 4208 N N . THR F 3 182 . 53.557 54.207 -8.658 1 30.41 ? N THR B 182 1 -ATOM 4209 C CA . THR F 3 182 . 52.921 55.478 -9.041 1 32.58 ? CA THR B 182 1 -ATOM 4210 C C . THR F 3 182 . 52.899 56.32 -7.775 1 34.76 ? C THR B 182 1 -ATOM 4211 O O . THR F 3 182 . 53.149 57.522 -7.789 1 33.62 ? O THR B 182 1 -ATOM 4212 C CB . THR F 3 182 . 51.432 55.359 -9.514 1 32.86 ? CB THR B 182 1 -ATOM 4213 O OG1 . THR F 3 182 . 51.059 53.995 -9.756 1 35.48 ? OG1 THR B 182 1 -ATOM 4214 C CG2 . THR F 3 182 . 51.263 56.138 -10.807 1 35.28 ? CG2 THR B 182 1 -ATOM 4215 N N . VAL F 3 183 . 52.569 55.666 -6.669 1 41.32 ? N VAL B 183 1 -ATOM 4216 C CA . VAL F 3 183 . 52.654 56.328 -5.382 1 43.36 ? CA VAL B 183 1 -ATOM 4217 C C . VAL F 3 183 . 54.082 56.882 -5.294 1 39.2 ? C VAL B 183 1 -ATOM 4218 O O . VAL F 3 183 . 54.313 57.985 -4.802 1 41.26 ? O VAL B 183 1 -ATOM 4219 C CB . VAL F 3 183 . 52.445 55.343 -4.219 1 43.44 ? CB VAL B 183 1 -ATOM 4220 C CG1 . VAL F 3 183 . 52.669 56.085 -2.891 1 41.92 ? CG1 VAL B 183 1 -ATOM 4221 C CG2 . VAL F 3 183 . 51.043 54.732 -4.303 1 33.99 ? CG2 VAL B 183 1 -ATOM 4222 N N . GLY F 3 184 . 55.011 56.073 -5.8 1 27.28 ? N GLY B 184 1 -ATOM 4223 C CA . GLY F 3 184 . 56.416 56.413 -5.845 1 25.5 ? CA GLY B 184 1 -ATOM 4224 C C . GLY F 3 184 . 56.67 57.72 -6.566 1 31.25 ? C GLY B 184 1 -ATOM 4225 O O . GLY F 3 184 . 56.583 58.783 -5.962 1 34.83 ? O GLY B 184 1 -ATOM 4226 N N . ARG F 3 185 . 56.953 57.667 -7.858 1 34.77 ? N ARG B 185 1 -ATOM 4227 C CA . ARG F 3 185 . 57.264 58.879 -8.613 1 36.7 ? CA ARG B 185 1 -ATOM 4228 C C . ARG F 3 185 . 56.417 60.106 -8.243 1 35.62 ? C ARG B 185 1 -ATOM 4229 O O . ARG F 3 185 . 56.922 61.227 -8.269 1 34.08 ? O ARG B 185 1 -ATOM 4230 C CB . ARG F 3 185 . 57.136 58.558 -10.107 1 36.55 ? CB ARG B 185 1 -ATOM 4231 C CG . ARG F 3 185 . 55.874 57.841 -10.518 1 35 ? CG ARG B 185 1 -ATOM 4232 C CD . ARG F 3 185 . 56.056 57.178 -11.868 1 39.34 ? CD ARG B 185 1 -ATOM 4233 N NE . ARG F 3 185 . 54.815 56.566 -12.324 1 40.91 ? NE ARG B 185 1 -ATOM 4234 C CZ . ARG F 3 185 . 54.744 55.464 -13.065 1 37.15 ? CZ ARG B 185 1 -ATOM 4235 N NH1 . ARG F 3 185 . 55.856 54.831 -13.444 1 32.13 ? NH1 ARG B 185 1 -ATOM 4236 N NH2 . ARG F 3 185 . 53.546 55.006 -13.425 1 29.06 ? NH2 ARG B 185 1 -ATOM 4237 N N . ILE F 3 186 . 55.159 59.922 -7.867 1 38.86 ? N ILE B 186 1 -ATOM 4238 C CA . ILE F 3 186 . 54.361 61.075 -7.451 1 40.99 ? CA ILE B 186 1 -ATOM 4239 C C . ILE F 3 186 . 54.889 61.692 -6.119 1 41.95 ? C ILE B 186 1 -ATOM 4240 O O . ILE F 3 186 . 55.185 62.886 -6.071 1 42.2 ? O ILE B 186 1 -ATOM 4241 C CB . ILE F 3 186 . 52.847 60.682 -7.244 1 47.45 ? CB ILE B 186 1 -ATOM 4242 C CG1 . ILE F 3 186 . 52.233 60.168 -8.561 1 40.4 ? CG1 ILE B 186 1 -ATOM 4243 C CG2 . ILE F 3 186 . 52.073 61.903 -6.74 1 49.6 ? CG2 ILE B 186 1 -ATOM 4244 C CD1 . ILE F 3 186 . 52.207 61.141 -9.731 1 47.64 ? CD1 ILE B 186 1 -ATOM 4245 N N . LEU F 3 187 . 55.038 60.882 -5.065 1 38.26 ? N LEU B 187 1 -ATOM 4246 C CA . LEU F 3 187 . 55.463 61.351 -3.73 1 37.04 ? CA LEU B 187 1 -ATOM 4247 C C . LEU F 3 187 . 56.674 62.264 -3.852 1 36.26 ? C LEU B 187 1 -ATOM 4248 O O . LEU F 3 187 . 56.738 63.355 -3.27 1 32.95 ? O LEU B 187 1 -ATOM 4249 C CB . LEU F 3 187 . 55.833 60.151 -2.819 1 31.61 ? CB LEU B 187 1 -ATOM 4250 C CG . LEU F 3 187 . 56.004 60.245 -1.292 1 24.23 ? CG LEU B 187 1 -ATOM 4251 C CD1 . LEU F 3 187 . 54.754 59.812 -0.61 1 18.62 ? CD1 LEU B 187 1 -ATOM 4252 C CD2 . LEU F 3 187 . 57.038 59.274 -0.814 1 29.55 ? CD2 LEU B 187 1 -ATOM 4253 N N . LYS F 3 188 . 57.635 61.779 -4.625 1 35.43 ? N LYS B 188 1 -ATOM 4254 C CA . LYS F 3 188 . 58.869 62.496 -4.868 1 41.66 ? CA LYS B 188 1 -ATOM 4255 C C . LYS F 3 188 . 58.475 63.858 -5.447 1 40.97 ? C LYS B 188 1 -ATOM 4256 O O . LYS F 3 188 . 58.894 64.879 -4.91 1 37.09 ? O LYS B 188 1 -ATOM 4257 C CB . LYS F 3 188 . 59.744 61.702 -5.867 1 43.86 ? CB LYS B 188 1 -ATOM 4258 C CG . LYS F 3 188 . 61.249 62.046 -5.919 1 40.33 ? CG LYS B 188 1 -ATOM 4259 C CD . LYS F 3 188 . 62.052 61.308 -4.862 1 37.47 ? CD LYS B 188 1 -ATOM 4260 C CE . LYS F 3 188 . 61.807 59.787 -4.998 1 47.66 ? CE LYS B 188 1 -ATOM 4261 N NZ . LYS F 3 188 . 61.869 59.23 -6.412 1 36.95 ? NZ LYS B 188 1 -ATOM 4262 N N . MET F 3 189 . 57.638 63.877 -6.492 1 40.16 ? N MET B 189 1 -ATOM 4263 C CA . MET F 3 189 . 57.172 65.124 -7.106 1 38.35 ? CA MET B 189 1 -ATOM 4264 C C . MET F 3 189 . 56.513 66.071 -6.091 1 39.66 ? C MET B 189 1 -ATOM 4265 O O . MET F 3 189 . 55.956 67.104 -6.468 1 43.9 ? O MET B 189 1 -ATOM 4266 C CB . MET F 3 189 . 56.161 64.831 -8.198 1 43.69 ? CB MET B 189 1 -ATOM 4267 C CG . MET F 3 189 . 56.691 63.989 -9.317 1 43.93 ? CG MET B 189 1 -ATOM 4268 S SD . MET F 3 189 . 55.268 63.547 -10.339 1 51.99 ? SD MET B 189 1 -ATOM 4269 C CE . MET F 3 189 . 56.1 63.229 -11.881 1 46.57 ? CE MET B 189 1 -ATOM 4270 N N . LEU F 3 190 . 56.539 65.681 -4.819 1 38.63 ? N LEU B 190 1 -ATOM 4271 C CA . LEU F 3 190 . 56.041 66.456 -3.7 1 34.94 ? CA LEU B 190 1 -ATOM 4272 C C . LEU F 3 190 . 57.226 66.995 -2.959 1 33.73 ? C LEU B 190 1 -ATOM 4273 O O . LEU F 3 190 . 57.23 68.144 -2.554 1 31.32 ? O LEU B 190 1 -ATOM 4274 C CB . LEU F 3 190 . 55.235 65.581 -2.77 1 32.64 ? CB LEU B 190 1 -ATOM 4275 C CG . LEU F 3 190 . 54.063 65.045 -3.569 1 35.13 ? CG LEU B 190 1 -ATOM 4276 C CD1 . LEU F 3 190 . 53.464 63.856 -2.901 1 33.11 ? CD1 LEU B 190 1 -ATOM 4277 C CD2 . LEU F 3 190 . 53.072 66.154 -3.731 1 27.12 ? CD2 LEU B 190 1 -ATOM 4278 N N . GLU F 3 191 . 58.217 66.136 -2.755 1 38.97 ? N GLU B 191 1 -ATOM 4279 C CA . GLU F 3 191 . 59.443 66.529 -2.076 1 45.76 ? CA GLU B 191 1 -ATOM 4280 C C . GLU F 3 191 . 60.012 67.655 -2.931 1 48.67 ? C GLU B 191 1 -ATOM 4281 O O . GLU F 3 191 . 60.276 68.753 -2.437 1 49.59 ? O GLU B 191 1 -ATOM 4282 C CB . GLU F 3 191 . 60.431 65.318 -1.992 1 50.13 ? CB GLU B 191 1 -ATOM 4283 C CG . GLU F 3 191 . 61.186 65.114 -0.604 1 53.77 ? CG GLU B 191 1 -ATOM 4284 C CD . GLU F 3 191 . 62.091 63.835 -0.466 1 54.77 ? CD GLU B 191 1 -ATOM 4285 O OE1 . GLU F 3 191 . 63.248 63.964 0.016 1 46.67 ? OE1 GLU B 191 1 -ATOM 4286 O OE2 . GLU F 3 191 . 61.648 62.703 -0.811 1 55 ? OE2 GLU B 191 1 -ATOM 4287 N N . ASP F 3 192 . 60.153 67.379 -4.231 1 50.03 ? N ASP B 192 1 -ATOM 4288 C CA . ASP F 3 192 . 60.635 68.362 -5.212 1 47.15 ? CA ASP B 192 1 -ATOM 4289 C C . ASP F 3 192 . 59.772 69.611 -5.031 1 47.27 ? C ASP B 192 1 -ATOM 4290 O O . ASP F 3 192 . 60.178 70.615 -4.428 1 38.77 ? O ASP B 192 1 -ATOM 4291 C CB . ASP F 3 192 . 60.471 67.809 -6.65 1 38.43 ? CB ASP B 192 1 -ATOM 4292 C CG . ASP F 3 192 . 61.761 67.826 -7.448 1 38.49 ? CG ASP B 192 1 -ATOM 4293 O OD1 . ASP F 3 192 . 61.719 67.575 -8.669 1 43.61 ? OD1 ASP B 192 1 -ATOM 4294 O OD2 . ASP F 3 192 . 62.828 68.08 -6.851 1 52.1 ? OD2 ASP B 192 1 -ATOM 4295 N N . GLN F 3 193 . 58.535 69.493 -5.502 1 46.12 ? N GLN B 193 1 -ATOM 4296 C CA . GLN F 3 193 . 57.569 70.559 -5.404 1 40.91 ? CA GLN B 193 1 -ATOM 4297 C C . GLN F 3 193 . 57.729 71.21 -4.028 1 41.74 ? C GLN B 193 1 -ATOM 4298 O O . GLN F 3 193 . 57.405 72.373 -3.851 1 48.75 ? O GLN B 193 1 -ATOM 4299 C CB . GLN F 3 193 . 56.195 69.958 -5.602 1 48.51 ? CB GLN B 193 1 -ATOM 4300 C CG . GLN F 3 193 . 55.114 70.958 -5.956 1 55 ? CG GLN B 193 1 -ATOM 4301 C CD . GLN F 3 193 . 53.752 70.303 -5.981 1 55 ? CD GLN B 193 1 -ATOM 4302 O OE1 . GLN F 3 193 . 52.772 70.876 -6.472 1 55 ? OE1 GLN B 193 1 -ATOM 4303 N NE2 . GLN F 3 193 . 53.684 69.081 -5.45 1 55 ? NE2 GLN B 193 1 -ATOM 4304 N N . ASN F 3 194 . 58.198 70.418 -3.059 1 43.98 ? N ASN B 194 1 -ATOM 4305 C CA . ASN F 3 194 . 58.579 70.871 -1.718 1 47.59 ? CA ASN B 194 1 -ATOM 4306 C C . ASN F 3 194 . 57.457 70.854 -0.669 1 47.71 ? C ASN B 194 1 -ATOM 4307 O O . ASN F 3 194 . 57.616 71.614 0.287 1 54.83 ? O ASN B 194 1 -ATOM 4308 C CB . ASN F 3 194 . 59.143 72.282 -1.774 1 50.86 ? CB ASN B 194 1 -ATOM 4309 C CG . ASN F 3 194 . 60.604 72.282 -2.039 1 55 ? CG ASN B 194 1 -ATOM 4310 O OD1 . ASN F 3 194 . 61.114 72.928 -2.971 1 55 ? OD1 ASN B 194 1 -ATOM 4311 N ND2 . ASN F 3 194 . 61.313 71.54 -1.198 1 51.89 ? ND2 ASN B 194 1 -ATOM 4312 N N . LEU F 3 195 . 56.366 70.091 -0.707 1 49.01 ? N LEU B 195 1 -ATOM 4313 C CA . LEU F 3 195 . 55.512 70.215 0.484 1 48.13 ? CA LEU B 195 1 -ATOM 4314 C C . LEU F 3 195 . 55.727 69.072 1.525 1 48.85 ? C LEU B 195 1 -ATOM 4315 O O . LEU F 3 195 . 55.096 69.051 2.584 1 47.31 ? O LEU B 195 1 -ATOM 4316 C CB . LEU F 3 195 . 54.031 70.276 0.061 1 46.71 ? CB LEU B 195 1 -ATOM 4317 C CG . LEU F 3 195 . 53.349 69.173 -0.748 1 50.73 ? CG LEU B 195 1 -ATOM 4318 C CD1 . LEU F 3 195 . 53.373 67.801 -0.054 1 55 ? CD1 LEU B 195 1 -ATOM 4319 C CD2 . LEU F 3 195 . 51.904 69.609 -0.895 1 46.79 ? CD2 LEU B 195 1 -ATOM 4320 N N . ILE F 3 196 . 56.634 68.141 1.229 1 49.61 ? N ILE B 196 1 -ATOM 4321 C CA . ILE F 3 196 . 56.953 67.025 2.135 1 47.78 ? CA ILE B 196 1 -ATOM 4322 C C . ILE F 3 196 . 58.4 66.625 1.91 1 49.78 ? C ILE B 196 1 -ATOM 4323 O O . ILE F 3 196 . 58.986 67.026 0.917 1 43.69 ? O ILE B 196 1 -ATOM 4324 C CB . ILE F 3 196 . 56.091 65.742 1.865 1 46.51 ? CB ILE B 196 1 -ATOM 4325 C CG1 . ILE F 3 196 . 56.503 64.616 2.822 1 41.92 ? CG1 ILE B 196 1 -ATOM 4326 C CG2 . ILE F 3 196 . 56.347 65.223 0.446 1 43.91 ? CG2 ILE B 196 1 -ATOM 4327 C CD1 . ILE F 3 196 . 55.802 63.289 2.591 1 33.72 ? CD1 ILE B 196 1 -ATOM 4328 N N . SER F 3 197 . 58.957 65.851 2.837 1 48.99 ? N SER B 197 1 -ATOM 4329 C CA . SER F 3 197 . 60.305 65.27 2.742 1 48.63 ? CA SER B 197 1 -ATOM 4330 C C . SER F 3 197 . 60.117 63.795 3.174 1 49.79 ? C SER B 197 1 -ATOM 4331 O O . SER F 3 197 . 59.284 63.55 4.059 1 53.36 ? O SER B 197 1 -ATOM 4332 C CB . SER F 3 197 . 61.279 66.01 3.697 1 50.39 ? CB SER B 197 1 -ATOM 4333 O OG . SER F 3 197 . 61.608 67.334 3.256 1 48.61 ? OG SER B 197 1 -ATOM 4334 N N . ALA F 3 198 . 60.828 62.825 2.575 1 43.28 ? N ALA B 198 1 -ATOM 4335 C CA . ALA F 3 198 . 60.637 61.415 2.956 1 39.32 ? CA ALA B 198 1 -ATOM 4336 C C . ALA F 3 198 . 61.842 60.507 2.692 1 43.21 ? C ALA B 198 1 -ATOM 4337 O O . ALA F 3 198 . 62.731 60.797 1.869 1 40.26 ? O ALA B 198 1 -ATOM 4338 C CB . ALA F 3 198 . 59.431 60.851 2.225 1 29.81 ? CB ALA B 198 1 -ATOM 4339 N N . HIS F 3 199 . 61.817 59.379 3.408 1 49.57 ? N HIS B 199 1 -ATOM 4340 C CA . HIS F 3 199 . 62.865 58.335 3.442 1 49.87 ? CA HIS B 199 1 -ATOM 4341 C C . HIS F 3 199 . 62.328 57.303 4.517 1 46.31 ? C HIS B 199 1 -ATOM 4342 O O . HIS F 3 199 . 62.615 57.443 5.725 1 47.21 ? O HIS B 199 1 -ATOM 4343 C CB . HIS F 3 199 . 64.201 59.055 3.858 1 49.82 ? CB HIS B 199 1 -ATOM 4344 C CG . HIS F 3 199 . 65.492 58.28 3.69 1 49.46 ? CG HIS B 199 1 -ATOM 4345 N ND1 . HIS F 3 199 . 66.223 57.792 4.761 1 47.28 ? ND1 HIS B 199 1 -ATOM 4346 C CD2 . HIS F 3 199 . 66.227 57.991 2.586 1 49.96 ? CD2 HIS B 199 1 -ATOM 4347 C CE1 . HIS F 3 199 . 67.346 57.247 4.328 1 42.58 ? CE1 HIS B 199 1 -ATOM 4348 N NE2 . HIS F 3 199 . 67.374 57.355 3.01 1 43.95 ? NE2 HIS B 199 1 -ATOM 4349 N N . GLY F 3 200 . 61.501 56.333 4.075 1 40.1 ? N GLY B 200 1 -ATOM 4350 C CA . GLY F 3 200 . 60.906 55.308 4.941 1 27.33 ? CA GLY B 200 1 -ATOM 4351 C C . GLY F 3 200 . 59.804 55.903 5.808 1 34.99 ? C GLY B 200 1 -ATOM 4352 O O . GLY F 3 200 . 58.694 55.374 5.952 1 36.63 ? O GLY B 200 1 -ATOM 4353 N N . LYS F 3 201 . 60.166 56.999 6.46 1 42.07 ? N LYS B 201 1 -ATOM 4354 C CA . LYS F 3 201 . 59.255 57.809 7.245 1 44.42 ? CA LYS B 201 1 -ATOM 4355 C C . LYS F 3 201 . 58.84 58.965 6.324 1 44.63 ? C LYS B 201 1 -ATOM 4356 O O . LYS F 3 201 . 59.532 59.247 5.341 1 49.47 ? O LYS B 201 1 -ATOM 4357 C CB . LYS F 3 201 . 59.985 58.344 8.479 1 48.26 ? CB LYS B 201 1 -ATOM 4358 C CG . LYS F 3 201 . 61.251 59.136 8.167 1 46.18 ? CG LYS B 201 1 -ATOM 4359 C CD . LYS F 3 201 . 61.7 59.966 9.38 1 50.97 ? CD LYS B 201 1 -ATOM 4360 C CE . LYS F 3 201 . 62.794 60.968 8.965 1 55 ? CE LYS B 201 1 -ATOM 4361 N NZ . LYS F 3 201 . 63.147 62.022 9.974 1 46.95 ? NZ LYS B 201 1 -ATOM 4362 N N . THR F 3 202 . 57.756 59.658 6.623 1 42.59 ? N THR B 202 1 -ATOM 4363 C CA . THR F 3 202 . 57.34 60.779 5.784 1 45.69 ? CA THR B 202 1 -ATOM 4364 C C . THR F 3 202 . 57.162 62.028 6.632 1 45.33 ? C THR B 202 1 -ATOM 4365 O O . THR F 3 202 . 56.354 62.056 7.567 1 48.13 ? O THR B 202 1 -ATOM 4366 C CB . THR F 3 202 . 56.002 60.461 5.045 1 45.9 ? CB THR B 202 1 -ATOM 4367 O OG1 . THR F 3 202 . 55.101 59.797 5.945 1 47.06 ? OG1 THR B 202 1 -ATOM 4368 C CG2 . THR F 3 202 . 56.269 59.591 3.815 1 45.47 ? CG2 THR B 202 1 -ATOM 4369 N N . ILE F 3 203 . 57.964 63.045 6.337 1 38.83 ? N ILE B 203 1 -ATOM 4370 C CA . ILE F 3 203 . 57.878 64.274 7.088 1 34.33 ? CA ILE B 203 1 -ATOM 4371 C C . ILE F 3 203 . 57.026 65.299 6.378 1 36.07 ? C ILE B 203 1 -ATOM 4372 O O . ILE F 3 203 . 57.44 65.905 5.369 1 30.72 ? O ILE B 203 1 -ATOM 4373 C CB . ILE F 3 203 . 59.219 64.928 7.304 1 39.32 ? CB ILE B 203 1 -ATOM 4374 C CG1 . ILE F 3 203 . 60.18 63.98 8.028 1 39.91 ? CG1 ILE B 203 1 -ATOM 4375 C CG2 . ILE F 3 203 . 58.985 66.201 8.105 1 37.86 ? CG2 ILE B 203 1 -ATOM 4376 C CD1 . ILE F 3 203 . 60.711 62.811 7.197 1 35.03 ? CD1 ILE B 203 1 -ATOM 4377 N N . VAL F 3 204 . 55.822 65.479 6.898 1 36.43 ? N VAL B 204 1 -ATOM 4378 C CA . VAL F 3 204 . 54.939 66.465 6.325 1 44.34 ? CA VAL B 204 1 -ATOM 4379 C C . VAL F 3 204 . 55.54 67.795 6.706 1 47.25 ? C VAL B 204 1 -ATOM 4380 O O . VAL F 3 204 . 56.21 67.871 7.742 1 53.56 ? O VAL B 204 1 -ATOM 4381 C CB . VAL F 3 204 . 53.52 66.44 6.924 1 47.34 ? CB VAL B 204 1 -ATOM 4382 C CG1 . VAL F 3 204 . 53.528 67.148 8.292 1 38.4 ? CG1 VAL B 204 1 -ATOM 4383 C CG2 . VAL F 3 204 . 52.546 67.137 5.979 1 48.02 ? CG2 VAL B 204 1 -ATOM 4384 N N . VAL F 3 205 . 55.358 68.816 5.878 1 45.13 ? N VAL B 205 1 -ATOM 4385 C CA . VAL F 3 205 . 55.792 70.158 6.279 1 44.73 ? CA VAL B 205 1 -ATOM 4386 C C . VAL F 3 205 . 54.468 70.987 6.231 1 44.05 ? C VAL B 205 1 -ATOM 4387 O O . VAL F 3 205 . 53.372 70.375 6.486 1 31.19 ? O VAL B 205 1 -ATOM 4388 C CB . VAL F 3 205 . 56.902 70.804 5.278 1 33.7 ? CB VAL B 205 1 -ATOM 4389 C CG1 . VAL F 3 205 . 57.437 72.095 5.886 1 36.67 ? CG1 VAL B 205 1 -ATOM 4390 C CG2 . VAL F 3 205 . 58.117 69.915 5.115 1 27.64 ? CG2 VAL B 205 1 -HETATM 4391 P P . CMP G 4 . . 23.446 66.059 7.025 1 21.21 ? P CMP A 762 1 -HETATM 4392 O O1P . CMP G 4 . . 24.861 65.799 6.725 1 16.95 ? O1P CMP A 762 1 -HETATM 4393 O O2P . CMP G 4 . . 23.112 66.994 8.149 1 26.22 ? O2P CMP A 762 1 -HETATM 4394 O O5' . CMP G 4 . . 22.849 66.716 5.697 1 26.51 ? O5' CMP A 762 1 -HETATM 4395 C C5' . CMP G 4 . . 22.696 65.967 4.459 1 24.11 ? C5' CMP A 762 1 -HETATM 4396 C C4' . CMP G 4 . . 22.122 64.593 4.72 1 19.73 ? C4' CMP A 762 1 -HETATM 4397 O O4' . CMP G 4 . . 22.43 63.679 3.642 1 19.87 ? O4' CMP A 762 1 -HETATM 4398 C C3' . CMP G 4 . . 22.777 63.849 5.855 1 23.16 ? C3' CMP A 762 1 -HETATM 4399 O O3' . CMP G 4 . . 22.698 64.643 7.044 1 16.35 ? O3' CMP A 762 1 -HETATM 4400 C C2' . CMP G 4 . . 22.15 62.475 5.657 1 15.69 ? C2' CMP A 762 1 -HETATM 4401 C C1' . CMP G 4 . . 22.386 62.324 4.137 1 24.39 ? C1' CMP A 762 1 -HETATM 4402 N N9 . CMP G 4 . . 23.619 61.624 3.714 1 12.64 ? N9 CMP A 762 1 -HETATM 4403 C C8 . CMP G 4 . . 24.903 62.073 3.841 1 22.17 ? C8 CMP A 762 1 -HETATM 4404 N N7 . CMP G 4 . . 25.821 61.231 3.387 1 20.71 ? N7 CMP A 762 1 -HETATM 4405 C C5 . CMP G 4 . . 25.086 60.156 2.92 1 13.01 ? C5 CMP A 762 1 -HETATM 4406 C C6 . CMP G 4 . . 25.475 58.919 2.309 1 14.58 ? C6 CMP A 762 1 -HETATM 4407 N N6 . CMP G 4 . . 26.765 58.591 1.967 1 12.19 ? N6 CMP A 762 1 -HETATM 4408 N N1 . CMP G 4 . . 24.497 58.04 2.025 1 9.86 ? N1 CMP A 762 1 -HETATM 4409 C C2 . CMP G 4 . . 23.221 58.389 2.273 1 10.47 ? C2 CMP A 762 1 -HETATM 4410 N N3 . CMP G 4 . . 22.727 59.528 2.798 1 18.21 ? N3 CMP A 762 1 -HETATM 4411 C C4 . CMP G 4 . . 23.721 60.378 3.112 1 15.89 ? C4 CMP A 762 1 -HETATM 4412 P P . CMP H 4 . . 30.868 44.322 10.111 1 22.81 ? P CMP B 761 1 -HETATM 4413 O O1P . CMP H 4 . . 30.249 44.78 8.824 1 17.93 ? O1P CMP B 761 1 -HETATM 4414 O O2P . CMP H 4 . . 30.231 43.185 10.844 1 18.79 ? O2P CMP B 761 1 -HETATM 4415 O O5' . CMP H 4 . . 32.366 43.895 9.809 1 13.33 ? O5' CMP B 761 1 -HETATM 4416 C C5' . CMP H 4 . . 33.274 44.8 9.251 1 17.27 ? C5' CMP B 761 1 -HETATM 4417 C C4' . CMP H 4 . . 33.284 46.017 10.078 1 16.92 ? C4' CMP B 761 1 -HETATM 4418 O O4' . CMP H 4 . . 34.091 47.063 9.52 1 19.03 ? O4' CMP B 761 1 -HETATM 4419 C C3' . CMP H 4 . . 31.951 46.686 10.283 1 16.47 ? C3' CMP B 761 1 -HETATM 4420 O O3' . CMP H 4 . . 31.094 45.72 10.901 1 15.14 ? O3' CMP B 761 1 -HETATM 4421 C C2' . CMP H 4 . . 32.444 47.944 10.985 1 12.11 ? C2' CMP B 761 1 -HETATM 4422 C C1' . CMP H 4 . . 33.587 48.307 10.004 1 20.63 ? C1' CMP B 761 1 -HETATM 4423 N N9 . CMP H 4 . . 33.317 49.131 8.805 1 18.49 ? N9 CMP B 761 1 -HETATM 4424 C C8 . CMP H 4 . . 32.66 48.826 7.627 1 19.25 ? C8 CMP B 761 1 -HETATM 4425 N N7 . CMP H 4 . . 32.732 49.773 6.71 1 15.3 ? N7 CMP B 761 1 -HETATM 4426 C C5 . CMP H 4 . . 33.45 50.775 7.339 1 22.11 ? C5 CMP B 761 1 -HETATM 4427 C C6 . CMP H 4 . . 33.878 52.048 6.92 1 19.56 ? C6 CMP B 761 1 -HETATM 4428 N N6 . CMP H 4 . . 33.651 52.576 5.73 1 29.04 ? N6 CMP B 761 1 -HETATM 4429 N N1 . CMP H 4 . . 34.576 52.78 7.802 1 25.11 ? N1 CMP B 761 1 -HETATM 4430 C C2 . CMP H 4 . . 34.827 52.273 9.053 1 22.25 ? C2 CMP B 761 1 -HETATM 4431 N N3 . CMP H 4 . . 34.479 51.128 9.56 1 7.44 ? N3 CMP B 761 1 -HETATM 4432 C C4 . CMP H 4 . . 33.791 50.404 8.646 1 22.16 ? C4 CMP B 761 1 -HETATM 4433 O O . HOH I 5 . . 45.092 62.707 -38.052 1 40.55 ? O HOH C 497 1 -HETATM 4434 O O . HOH I 5 . . 34.545 54.424 -34.074 1 46.59 ? O HOH C 498 1 -HETATM 4435 O O . HOH I 5 . . 32.083 57.72 -40.155 1 25.7 ? O HOH C 499 1 -HETATM 4436 O O . HOH I 5 . . 26.669 65.133 -35.452 1 33.79 ? O HOH C 500 1 -HETATM 4437 O O . HOH I 5 . . 21.789 72.181 -22.98 1 47.12 ? O HOH C 502 1 -HETATM 4438 O O . HOH I 5 . . 15.248 65.765 -18.568 1 13.3 ? O HOH C 505 1 -HETATM 4439 O O . HOH I 5 . . 18.102 63.64 -26.184 1 10.55 ? O HOH C 506 1 -HETATM 4440 O O . HOH I 5 . . 38.134 67.177 -36.049 1 39.67 ? O HOH C 511 1 -HETATM 4441 O O . HOH I 5 . . 6.496 75.445 -24.344 1 34.06 ? O HOH C 545 1 -HETATM 4442 O O . HOH I 5 . . 5.915 78.12 -25.57 1 50.35 ? O HOH C 546 1 -HETATM 4443 O O . HOH I 5 . . 26.503 57.806 -38.215 1 49.33 ? O HOH C 561 1 -HETATM 4444 O O . HOH I 5 . . 34.543 63.954 -34.779 1 26.3 ? O HOH C 562 1 -HETATM 4445 O O . HOH I 5 . . 40.503 54.446 -28.868 1 44.04 ? O HOH C 565 1 -HETATM 4446 O O . HOH I 5 . . -4.406 63.698 -17.231 1 41.56 ? O HOH C 568 1 -HETATM 4447 O O . HOH I 5 . . -3.754 71.074 -24.645 1 26.72 ? O HOH C 569 1 -HETATM 4448 O O . HOH I 5 . . 9.518 75.455 -21.479 1 41.76 ? O HOH C 572 1 -HETATM 4449 O O . HOH I 5 . . 17.844 76.245 -23.11 1 54.25 ? O HOH C 573 1 -HETATM 4450 O O . HOH I 5 . . 10.529 81.336 -25.817 1 20.78 ? O HOH C 574 1 -HETATM 4451 O O . HOH I 5 . . 19.103 72.754 -21.738 1 37.97 ? O HOH C 576 1 -HETATM 4452 O O . HOH I 5 . . 37.142 57.678 -32.298 1 44.28 ? O HOH C 593 1 -HETATM 4453 O O . HOH I 5 . . 28.559 54.589 -35.786 1 33.76 ? O HOH C 594 1 -HETATM 4454 O O . HOH I 5 . . 24.818 56.11 -35.105 1 38.87 ? O HOH C 595 1 -HETATM 4455 O O . HOH I 5 . . 6.032 71.716 -33.977 1 28.94 ? O HOH C 597 1 -HETATM 4456 O O . HOH I 5 . . 6.701 81.328 -24.221 1 32.38 ? O HOH C 598 1 -HETATM 4457 O O . HOH I 5 . . 38.755 57.279 -27.498 1 23.05 ? O HOH C 600 1 -HETATM 4458 O O . HOH I 5 . . 15.304 73.759 -12.366 1 45.91 ? O HOH C 609 1 -HETATM 4459 O O . HOH I 5 . . 19.746 75.497 -20.941 1 24.75 ? O HOH C 612 1 -HETATM 4460 O O . HOH I 5 . . 33.85 55.583 -37.595 1 38.18 ? O HOH C 631 1 -HETATM 4461 O O . HOH I 5 . . 41.052 57.278 -30.411 1 54.37 ? O HOH C 635 1 -HETATM 4462 O O . HOH I 5 . . 23.329 62.494 -35.82 1 44.05 ? O HOH C 636 1 -HETATM 4463 O O . HOH I 5 . . 16.739 74.99 -27.635 1 34.45 ? O HOH C 645 1 -HETATM 4464 O O . HOH I 5 . . -2.747 62.236 -18.959 1 51.72 ? O HOH C 652 1 -HETATM 4465 O O . HOH I 5 . . 21.437 58.13 -27.166 1 44.51 ? O HOH C 655 1 -HETATM 4466 O O . HOH I 5 . . 20.214 58.74 -36.056 1 47.44 ? O HOH C 656 1 -HETATM 4467 O O . HOH I 5 . . 15.915 66.391 -16.034 1 44.96 ? O HOH C 659 1 -HETATM 4468 O O . HOH I 5 . . 16.874 60.354 -21.901 1 39.78 ? O HOH C 660 1 -HETATM 4469 O O . HOH I 5 . . -6.306 64.692 -18.758 1 14.12 ? O HOH C 672 1 -HETATM 4470 O O . HOH I 5 . . 21.194 62.919 -31.519 1 55 ? O HOH C 677 1 -HETATM 4471 O O . HOH I 5 . . 20.66 75.297 -23.813 1 41.23 ? O HOH C 692 1 -HETATM 4472 O O . HOH I 5 . . -1.234 68.669 -34.146 1 48.42 ? O HOH C 699 1 -HETATM 4473 O O . HOH I 5 . . -4.841 71.213 -27.538 1 47.07 ? O HOH C 700 1 -HETATM 4474 O O . HOH I 5 . . -1.095 63.024 -23.484 1 43.34 ? O HOH C 701 1 -HETATM 4475 O O . HOH I 5 . . 16.283 79.208 -26.983 1 49.4 ? O HOH C 702 1 -HETATM 4476 O O . HOH I 5 . . 19.179 59.427 -27.503 1 47.32 ? O HOH C 706 1 -HETATM 4477 O O . HOH I 5 . . 22.551 57.921 -34.154 1 55 ? O HOH C 707 1 -HETATM 4478 O O . HOH I 5 . . 22.568 54.84 -35.215 1 28.25 ? O HOH C 708 1 -HETATM 4479 O O . HOH I 5 . . 37.11 60.913 -39.945 1 20.63 ? O HOH C 709 1 -HETATM 4480 O O . HOH I 5 . . 39.915 65.768 -33.913 1 55 ? O HOH C 710 1 -HETATM 4481 O O . HOH I 5 . . 30.547 58.805 -30.327 1 32.03 ? O HOH C 715 1 -HETATM 4482 O O . HOH I 5 . . 24.361 53.539 -32.522 1 43.87 ? O HOH C 724 1 -HETATM 4483 O O . HOH J 5 . . 70.347 58.185 -8.109 1 55 ? O HOH D 475 1 -HETATM 4484 O O . HOH J 5 . . 64.471 44.79 -17.048 1 46.14 ? O HOH D 476 1 -HETATM 4485 O O . HOH J 5 . . 51.769 43.366 -8.088 1 32.45 ? O HOH D 477 1 -HETATM 4486 O O . HOH J 5 . . 53.137 40.252 -11.712 1 55 ? O HOH D 478 1 -HETATM 4487 O O . HOH J 5 . . 60.531 36.463 -9.174 1 38.78 ? O HOH D 479 1 -HETATM 4488 O O . HOH J 5 . . 58.862 36.585 -19.509 1 54.25 ? O HOH D 480 1 -HETATM 4489 O O . HOH J 5 . . 66.89 46.517 -12.427 1 27.96 ? O HOH D 481 1 -HETATM 4490 O O . HOH J 5 . . 73.157 47.205 -13.109 1 53.02 ? O HOH D 482 1 -HETATM 4491 O O . HOH J 5 . . 65.406 39.582 13.133 1 28.43 ? O HOH D 485 1 -HETATM 4492 O O . HOH J 5 . . 62.621 47.039 14.604 1 52.46 ? O HOH D 486 1 -HETATM 4493 O O . HOH J 5 . . 65.155 39.397 -1.228 1 20.94 ? O HOH D 489 1 -HETATM 4494 O O . HOH J 5 . . 46.206 49.808 -17.576 1 35.36 ? O HOH D 490 1 -HETATM 4495 O O . HOH J 5 . . 42.855 63.733 -22.373 1 33.69 ? O HOH D 493 1 -HETATM 4496 O O . HOH J 5 . . 51.508 67.455 -17.121 1 37.41 ? O HOH D 512 1 -HETATM 4497 O O . HOH J 5 . . 55.844 44.029 14.113 1 40.33 ? O HOH D 517 1 -HETATM 4498 O O . HOH J 5 . . 57.886 44.135 10.476 1 41.36 ? O HOH D 518 1 -HETATM 4499 O O . HOH J 5 . . 51.555 62.372 -24.432 1 27.58 ? O HOH D 524 1 -HETATM 4500 O O . HOH J 5 . . 43.711 56.235 -28.355 1 26.56 ? O HOH D 525 1 -HETATM 4501 O O . HOH J 5 . . 60.736 42.023 8.755 1 40.46 ? O HOH D 529 1 -HETATM 4502 O O . HOH J 5 . . 56.046 49.978 8.883 1 27.41 ? O HOH D 530 1 -HETATM 4503 O O . HOH J 5 . . 70.091 40.615 -3.93 1 22.25 ? O HOH D 533 1 -HETATM 4504 O O . HOH J 5 . . 67.001 53.08 -8.644 1 42.15 ? O HOH D 534 1 -HETATM 4505 O O . HOH J 5 . . 70.597 45.672 7.197 1 19.93 ? O HOH D 535 1 -HETATM 4506 O O . HOH J 5 . . 56.99 37.442 -11.269 1 32.19 ? O HOH D 538 1 -HETATM 4507 O O . HOH J 5 . . 65.265 35.444 -10.17 1 34.93 ? O HOH D 539 1 -HETATM 4508 O O . HOH J 5 . . 62.109 37.199 -7.114 1 52.71 ? O HOH D 540 1 -HETATM 4509 O O . HOH J 5 . . 42.794 68.731 -22.407 1 35.15 ? O HOH D 547 1 -HETATM 4510 O O . HOH J 5 . . 46.123 70.632 -24.405 1 35.29 ? O HOH D 548 1 -HETATM 4511 O O . HOH J 5 . . 67.748 49.985 -8.437 1 10.22 ? O HOH D 549 1 -HETATM 4512 O O . HOH J 5 . . 74.545 45.447 -9.233 1 51.32 ? O HOH D 550 1 -HETATM 4513 O O . HOH J 5 . . 54.585 44.617 -19.064 1 26.7 ? O HOH D 551 1 -HETATM 4514 O O . HOH J 5 . . 53.794 42.969 -10.618 1 50.8 ? O HOH D 552 1 -HETATM 4515 O O . HOH J 5 . . 49.037 44.429 -18.075 1 37.42 ? O HOH D 553 1 -HETATM 4516 O O . HOH J 5 . . 48.762 48.216 -18.826 1 27.63 ? O HOH D 554 1 -HETATM 4517 O O . HOH J 5 . . 49.442 65.308 -24.106 1 24.91 ? O HOH D 556 1 -HETATM 4518 O O . HOH J 5 . . 49.882 70.093 -21.008 1 35.27 ? O HOH D 557 1 -HETATM 4519 O O . HOH J 5 . . 43.056 66.665 -27.299 1 47.52 ? O HOH D 558 1 -HETATM 4520 O O . HOH J 5 . . 60.509 38.551 -10.754 1 46.62 ? O HOH D 567 1 -HETATM 4521 O O . HOH J 5 . . 58.263 43.649 7.952 1 45.35 ? O HOH D 582 1 -HETATM 4522 O O . HOH J 5 . . 68.602 58.415 -1.102 1 26.82 ? O HOH D 584 1 -HETATM 4523 O O . HOH J 5 . . 62.961 41.331 -17.673 1 36.46 ? O HOH D 585 1 -HETATM 4524 O O . HOH J 5 . . 65.781 42.618 -14.654 1 33.9 ? O HOH D 586 1 -HETATM 4525 O O . HOH J 5 . . 57.291 38.952 -20.892 1 45.33 ? O HOH D 587 1 -HETATM 4526 O O . HOH J 5 . . 45.117 52.569 -17.172 1 30.91 ? O HOH D 588 1 -HETATM 4527 O O . HOH J 5 . . 53.289 60.935 -18.784 1 52 ? O HOH D 591 1 -HETATM 4528 O O . HOH J 5 . . 52.176 45.995 -18.77 1 38.67 ? O HOH D 601 1 -HETATM 4529 O O . HOH J 5 . . 46.868 43.275 -9.443 1 39.72 ? O HOH D 607 1 -HETATM 4530 O O . HOH J 5 . . 43.045 64.995 -15.789 1 49.25 ? O HOH D 617 1 -HETATM 4531 O O . HOH J 5 . . 67.269 32.001 17.229 1 48.15 ? O HOH D 621 1 -HETATM 4532 O O . HOH J 5 . . 62.211 36.743 13.534 1 46.51 ? O HOH D 622 1 -HETATM 4533 O O . HOH J 5 . . 71.63 38.512 -10.357 1 46.87 ? O HOH D 624 1 -HETATM 4534 O O . HOH J 5 . . 69.132 49.442 -10.591 1 38.27 ? O HOH D 626 1 -HETATM 4535 O O . HOH J 5 . . 42.251 68.919 -19.154 1 38.7 ? O HOH D 633 1 -HETATM 4536 O O . HOH J 5 . . 67.973 57.466 -6.149 1 33.81 ? O HOH D 642 1 -HETATM 4537 O O . HOH J 5 . . 50.302 66.708 -28.579 1 42.56 ? O HOH D 643 1 -HETATM 4538 O O . HOH J 5 . . 49.016 61.067 -28.672 1 53.81 ? O HOH D 644 1 -HETATM 4539 O O . HOH J 5 . . 55.217 38.453 -8.585 1 51.32 ? O HOH D 666 1 -HETATM 4540 O O . HOH J 5 . . 55.814 43.041 -8.509 1 19.14 ? O HOH D 667 1 -HETATM 4541 O O . HOH J 5 . . 62.561 34.808 -12.282 1 30.86 ? O HOH D 668 1 -HETATM 4542 O O . HOH J 5 . . 66.797 49.407 15.098 1 55 ? O HOH D 669 1 -HETATM 4543 O O . HOH J 5 . . 56.396 41.212 -19.75 1 52.13 ? O HOH D 683 1 -HETATM 4544 O O . HOH J 5 . . 50.283 38.631 -15.757 1 35.91 ? O HOH D 695 1 -HETATM 4545 O O . HOH J 5 . . 58.305 42.736 -8.09 1 44.09 ? O HOH D 696 1 -HETATM 4546 O O . HOH J 5 . . 61.189 39.93 -7.739 1 53.41 ? O HOH D 697 1 -HETATM 4547 O O . HOH J 5 . . 68.551 53.858 -6.671 1 43.38 ? O HOH D 713 1 -HETATM 4548 O O . HOH J 5 . . 66.847 51.437 8.723 1 43.84 ? O HOH D 714 1 -HETATM 4549 O O . HOH J 5 . . 65.905 52.52 14.043 1 53.8 ? O HOH D 742 1 -HETATM 4550 O O . HOH J 5 . . 69.799 45.512 1.693 1 51.26 ? O HOH D 749 1 -HETATM 4551 O O . HOH J 5 . . 63.835 52.551 11.873 1 41.86 ? O HOH D 752 1 -HETATM 4552 O O . HOH J 5 . . 61.683 51.699 14.595 1 39.64 ? O HOH D 753 1 -HETATM 4553 O O . HOH J 5 . . 70.864 48.989 -15.635 1 55 ? O HOH D 755 1 -HETATM 4554 O O . HOH K 5 . . 67.397 35.573 10.316 1 20.55 ? O HOH E 483 1 -HETATM 4555 O O . HOH K 5 . . 67.927 39.018 11.403 1 28.29 ? O HOH E 484 1 -HETATM 4556 O O . HOH K 5 . . 63.705 52.517 -0.832 1 36.53 ? O HOH E 487 1 -HETATM 4557 O O . HOH K 5 . . 65.354 49.889 -4.492 1 49.78 ? O HOH E 488 1 -HETATM 4558 O O . HOH K 5 . . 74.697 45.4 5.86 1 44.7 ? O HOH E 515 1 -HETATM 4559 O O . HOH K 5 . . 75.656 39.879 3.425 1 32.51 ? O HOH E 516 1 -HETATM 4560 O O . HOH K 5 . . 67.795 33.325 3.865 1 46.58 ? O HOH E 519 1 -HETATM 4561 O O . HOH K 5 . . 72.727 49.11 4.087 1 29.56 ? O HOH E 520 1 -HETATM 4562 O O . HOH K 5 . . 56.084 57.66 -19.059 1 22.64 ? O HOH E 521 1 -HETATM 4563 O O . HOH K 5 . . 76.028 51.424 12 1 34.44 ? O HOH E 531 1 -HETATM 4564 O O . HOH K 5 . . 72.935 51.041 11.055 1 31.9 ? O HOH E 536 1 -HETATM 4565 O O . HOH K 5 . . 72.141 46.46 4.12 1 52 ? O HOH E 537 1 -HETATM 4566 O O . HOH K 5 . . 57.218 36.663 5.877 1 21.3 ? O HOH E 543 1 -HETATM 4567 O O . HOH K 5 . . 65.31 39.55 9.706 1 33.24 ? O HOH E 544 1 -HETATM 4568 O O . HOH K 5 . . 69.997 37.575 10.818 1 55 ? O HOH E 566 1 -HETATM 4569 O O . HOH K 5 . . 75.565 35.395 7.04 1 33.9 ? O HOH E 570 1 -HETATM 4570 O O . HOH K 5 . . 70.867 49.37 11.889 1 35.98 ? O HOH E 571 1 -HETATM 4571 O O . HOH K 5 . . 69.335 38.156 1.355 1 38.59 ? O HOH E 577 1 -HETATM 4572 O O . HOH K 5 . . 73.936 49.676 13.646 1 47.86 ? O HOH E 578 1 -HETATM 4573 O O . HOH K 5 . . 73.413 46.396 8.669 1 43.69 ? O HOH E 579 1 -HETATM 4574 O O . HOH K 5 . . 81.229 50.58 8.324 1 37.52 ? O HOH E 580 1 -HETATM 4575 O O . HOH K 5 . . 81.781 42.29 10.185 1 25.63 ? O HOH E 581 1 -HETATM 4576 O O . HOH K 5 . . 63.154 49.753 0.787 1 20.16 ? O HOH E 583 1 -HETATM 4577 O O . HOH K 5 . . 52.394 48.873 -30.007 1 53.55 ? O HOH E 590 1 -HETATM 4578 O O . HOH K 5 . . 61.104 54.976 -26.847 1 47.94 ? O HOH E 604 1 -HETATM 4579 O O . HOH K 5 . . 57.666 55.211 -26.018 1 50.15 ? O HOH E 605 1 -HETATM 4580 O O . HOH K 5 . . 60.039 55.864 -23.59 1 55 ? O HOH E 606 1 -HETATM 4581 O O . HOH K 5 . . 60.1 41.365 -5.201 1 45.95 ? O HOH E 618 1 -HETATM 4582 O O . HOH K 5 . . 70.637 38.501 14.29 1 46.42 ? O HOH E 619 1 -HETATM 4583 O O . HOH K 5 . . 73.29 40.555 14.035 1 41.72 ? O HOH E 620 1 -HETATM 4584 O O . HOH K 5 . . 57.193 39.22 8.721 1 37.63 ? O HOH E 623 1 -HETATM 4585 O O . HOH K 5 . . 66.092 50.61 -10.399 1 23.91 ? O HOH E 625 1 -HETATM 4586 O O . HOH K 5 . . 77.611 47.325 18.44 1 35.78 ? O HOH E 639 1 -HETATM 4587 O O . HOH K 5 . . 71.268 40.221 1.712 1 47 ? O HOH E 640 1 -HETATM 4588 O O . HOH K 5 . . 64.841 55.304 -2.212 1 38.46 ? O HOH E 641 1 -HETATM 4589 O O . HOH K 5 . . 60.211 47.358 -24.602 1 44.79 ? O HOH E 646 1 -HETATM 4590 O O . HOH K 5 . . 57.361 49.302 -22.833 1 33.4 ? O HOH E 647 1 -HETATM 4591 O O . HOH K 5 . . 57.9 46.482 -21.158 1 49.78 ? O HOH E 684 1 -HETATM 4592 O O . HOH K 5 . . 57.827 43.936 -4.996 1 54.36 ? O HOH E 685 1 -HETATM 4593 O O . HOH K 5 . . 80.651 48.325 11.022 1 29.52 ? O HOH E 686 1 -HETATM 4594 O O . HOH K 5 . . 79.286 51.604 13.129 1 49.66 ? O HOH E 687 1 -HETATM 4595 O O . HOH K 5 . . 80.238 44.021 6.912 1 45.95 ? O HOH E 688 1 -HETATM 4596 O O . HOH K 5 . . 60.733 33.245 7.305 1 55 ? O HOH E 743 1 -HETATM 4597 O O . HOH K 5 . . 77.556 43.536 6.417 1 53.41 ? O HOH E 750 1 -HETATM 4598 O O . HOH K 5 . . 74.125 33.302 1.512 1 55 ? O HOH E 751 1 -HETATM 4599 O O . HOH K 5 . . 58.691 40.778 -0.272 1 53.41 ? O HOH E 754 1 -HETATM 4600 O O . HOH K 5 . . 65.062 57.859 -15.43 1 51.71 ? O HOH E 756 1 -HETATM 4601 O O . HOH L 5 . . 39.601 51.8 -14.163 1 48.63 ? O HOH F 491 1 -HETATM 4602 O O . HOH L 5 . . 42.338 57.424 -18.088 1 30.52 ? O HOH F 492 1 -HETATM 4603 O O . HOH L 5 . . 40.611 68.254 -26.386 1 43.31 ? O HOH F 494 1 -HETATM 4604 O O . HOH L 5 . . 36.111 75.412 -28.364 1 44.29 ? O HOH F 495 1 -HETATM 4605 O O . HOH L 5 . . 38.325 74.842 -20.69 1 29.66 ? O HOH F 496 1 -HETATM 4606 O O . HOH L 5 . . 28.87 71.233 -37.894 1 27.7 ? O HOH F 501 1 -HETATM 4607 O O . HOH L 5 . . 20.912 72.874 -29.01 1 44.34 ? O HOH F 503 1 -HETATM 4608 O O . HOH L 5 . . 13.937 66.994 -20.653 1 23.17 ? O HOH F 504 1 -HETATM 4609 O O . HOH L 5 . . 10.104 59.707 -27.834 1 40.2 ? O HOH F 507 1 -HETATM 4610 O O . HOH L 5 . . 8.864 68.297 -31.113 1 39.94 ? O HOH F 508 1 -HETATM 4611 O O . HOH L 5 . . 7.068 68.916 -33.354 1 47.65 ? O HOH F 509 1 -HETATM 4612 O O . HOH L 5 . . 11.412 69.749 -31.428 1 17.9 ? O HOH F 510 1 -HETATM 4613 O O . HOH L 5 . . 40.64 65.256 -22.789 1 23.04 ? O HOH F 513 1 -HETATM 4614 O O . HOH L 5 . . 35.254 72.551 -20.118 1 55 ? O HOH F 514 1 -HETATM 4615 O O . HOH L 5 . . 51.575 55.673 -25.93 1 33.99 ? O HOH F 522 1 -HETATM 4616 O O . HOH L 5 . . 41.795 46.087 -19.656 1 38.63 ? O HOH F 523 1 -HETATM 4617 O O . HOH L 5 . . 15.802 70.478 -35.327 1 35.2 ? O HOH F 526 1 -HETATM 4618 O O . HOH L 5 . . 6.392 61.612 -26.066 1 23.72 ? O HOH F 527 1 -HETATM 4619 O O . HOH L 5 . . 29.124 79.776 -34.852 1 32.63 ? O HOH F 528 1 -HETATM 4620 O O . HOH L 5 . . 37.883 51.549 -24.595 1 54.07 ? O HOH F 541 1 -HETATM 4621 O O . HOH L 5 . . 34.835 50.547 -20.628 1 30.94 ? O HOH F 542 1 -HETATM 4622 O O . HOH L 5 . . 31.162 76.662 -22.119 1 55 ? O HOH F 559 1 -HETATM 4623 O O . HOH L 5 . . 31.06 70.006 -34.2 1 16.86 ? O HOH F 560 1 -HETATM 4624 O O . HOH L 5 . . 16.542 71.808 -32.219 1 21.1 ? O HOH F 563 1 -HETATM 4625 O O . HOH L 5 . . 14.867 68.245 -36.351 1 34.11 ? O HOH F 564 1 -HETATM 4626 O O . HOH L 5 . . 18.549 64.506 -40.441 1 32.89 ? O HOH F 575 1 -HETATM 4627 O O . HOH L 5 . . 45.887 44.599 -27.592 1 37.29 ? O HOH F 589 1 -HETATM 4628 O O . HOH L 5 . . 35.632 50.257 -23.883 1 50.89 ? O HOH F 592 1 -HETATM 4629 O O . HOH L 5 . . 22.784 72.471 -27.076 1 42.58 ? O HOH F 596 1 -HETATM 4630 O O . HOH L 5 . . 7.194 58.282 -22.777 1 48.95 ? O HOH F 599 1 -HETATM 4631 O O . HOH L 5 . . 2.172 75.065 -25.769 1 29.07 ? O HOH F 602 1 -HETATM 4632 O O . HOH L 5 . . 6.522 79.928 -16.01 1 25.22 ? O HOH F 603 1 -HETATM 4633 O O . HOH L 5 . . 43.025 43.992 -21.855 1 29.25 ? O HOH F 608 1 -HETATM 4634 O O . HOH L 5 . . 7.478 77.422 -10.24 1 18.53 ? O HOH F 610 1 -HETATM 4635 O O . HOH L 5 . . 17.066 57.43 -29.734 1 29.65 ? O HOH F 613 1 -HETATM 4636 O O . HOH L 5 . . 27.442 72.109 -25.068 1 16.67 ? O HOH F 614 1 -HETATM 4637 O O . HOH L 5 . . 29.667 73.505 -25.82 1 28.54 ? O HOH F 615 1 -HETATM 4638 O O . HOH L 5 . . 34.311 76.445 -23.875 1 49.17 ? O HOH F 616 1 -HETATM 4639 O O . HOH L 5 . . 40.192 64.519 -16.676 1 55 ? O HOH F 627 1 -HETATM 4640 O O . HOH L 5 . . 4.897 63.696 -25.327 1 38.66 ? O HOH F 628 1 -HETATM 4641 O O . HOH L 5 . . 13.729 70.695 -32.59 1 37.63 ? O HOH F 629 1 -HETATM 4642 O O . HOH L 5 . . 40.317 69.089 -23.974 1 54.97 ? O HOH F 630 1 -HETATM 4643 O O . HOH L 5 . . 31.852 69.051 -22.413 1 36.54 ? O HOH F 632 1 -HETATM 4644 O O . HOH L 5 . . 37.512 63.501 -14.722 1 25.25 ? O HOH F 634 1 -HETATM 4645 O O . HOH L 5 . . 25.176 68.661 -35.141 1 49.11 ? O HOH F 637 1 -HETATM 4646 O O . HOH L 5 . . 4.653 68.424 -33.675 1 22.79 ? O HOH F 648 1 -HETATM 4647 O O . HOH L 5 . . 4.431 77.755 -22.149 1 41.86 ? O HOH F 649 1 -HETATM 4648 O O . HOH L 5 . . 7.296 75.601 -12.699 1 33.31 ? O HOH F 650 1 -HETATM 4649 O O . HOH L 5 . . 6.998 71.561 -11.947 1 37.29 ? O HOH F 651 1 -HETATM 4650 O O . HOH L 5 . . 7.933 58.041 -25.945 1 30.99 ? O HOH F 653 1 -HETATM 4651 O O . HOH L 5 . . 13.763 61.04 -18.03 1 47.96 ? O HOH F 658 1 -HETATM 4652 O O . HOH L 5 . . 33.756 72.777 -22.367 1 46.41 ? O HOH F 661 1 -HETATM 4653 O O . HOH L 5 . . 54.464 46.698 -24.996 1 46.73 ? O HOH F 662 1 -HETATM 4654 O O . HOH L 5 . . 36.668 53.614 -22.756 1 41.75 ? O HOH F 663 1 -HETATM 4655 O O . HOH L 5 . . 7.813 79.582 -18.457 1 37.6 ? O HOH F 670 1 -HETATM 4656 O O . HOH L 5 . . 8.196 65.636 -13.058 1 54.25 ? O HOH F 671 1 -HETATM 4657 O O . HOH L 5 . . 9.648 63.288 -15.403 1 38.99 ? O HOH F 673 1 -HETATM 4658 O O . HOH L 5 . . 8.696 62.103 -24.916 1 50.52 ? O HOH F 674 1 -HETATM 4659 O O . HOH L 5 . . 14.733 66.217 -23.05 1 35.25 ? O HOH F 675 1 -HETATM 4660 O O . HOH L 5 . . 11.389 72.474 -31.016 1 46.75 ? O HOH F 676 1 -HETATM 4661 O O . HOH L 5 . . 12.114 58.988 -34.21 1 53.56 ? O HOH F 678 1 -HETATM 4662 O O . HOH L 5 . . 35.294 69.551 -30.893 1 45.99 ? O HOH F 679 1 -HETATM 4663 O O . HOH L 5 . . 41.412 63.169 -19.944 1 43.35 ? O HOH F 681 1 -HETATM 4664 O O . HOH L 5 . . 43.289 54.324 -18.513 1 55 ? O HOH F 682 1 -HETATM 4665 O O . HOH L 5 . . 9.751 71.706 -11.911 1 32.94 ? O HOH F 689 1 -HETATM 4666 O O . HOH L 5 . . 7.616 61.298 -20.989 1 38.13 ? O HOH F 690 1 -HETATM 4667 O O . HOH L 5 . . 2.925 75.398 -8.79 1 51.05 ? O HOH F 691 1 -HETATM 4668 O O . HOH L 5 . . 25.48 73.849 -27.535 1 49.54 ? O HOH F 693 1 -HETATM 4669 O O . HOH L 5 . . 9.405 78.692 -15.849 1 48.02 ? O HOH F 703 1 -HETATM 4670 O O . HOH L 5 . . 3.752 75.722 -12.148 1 54.69 ? O HOH F 704 1 -HETATM 4671 O O . HOH L 5 . . 38.687 69.451 -28.246 1 49.88 ? O HOH F 711 1 -HETATM 4672 O O . HOH L 5 . . 37.106 67.659 -32.437 1 39.11 ? O HOH F 712 1 -HETATM 4673 O O . HOH L 5 . . 20.319 73.578 -33.478 1 45.67 ? O HOH F 716 1 -HETATM 4674 O O . HOH L 5 . . 6.36 63.92 -15.465 1 52.65 ? O HOH F 718 1 -HETATM 4675 O O . HOH L 5 . . 26.865 78.212 -29.056 1 55 ? O HOH F 748 1 -HETATM 4676 O O . HOH M 5 . . 10.284 72.559 -8.903 1 22.85 ? O HOH A 611 1 -HETATM 4677 O O . HOH M 5 . . 9.255 57.324 -28.987 1 55 ? O HOH A 654 1 -HETATM 4678 O O . HOH M 5 . . 21.678 54.651 -24.966 1 43.43 ? O HOH A 657 1 -HETATM 4679 O O . HOH M 5 . . 7.4 73.484 -9.214 1 47.11 ? O HOH A 705 1 -HETATM 4680 O O . HOH M 5 . . 17.557 61.852 -14.892 1 42.94 ? O HOH A 717 1 -HETATM 4681 O O . HOH M 5 . . 11.375 59.5 -14.354 1 52.68 ? O HOH A 719 1 -HETATM 4682 O O . HOH M 5 . . 12.614 53.284 -14.492 1 51.76 ? O HOH A 720 1 -HETATM 4683 O O . HOH M 5 . . 13.058 60.579 -10.316 1 49.73 ? O HOH A 721 1 -HETATM 4684 O O . HOH M 5 . . 28.816 53.412 -29.637 1 39.73 ? O HOH A 722 1 -HETATM 4685 O O . HOH M 5 . . 21.255 54.038 -29.711 1 41.83 ? O HOH A 723 1 -HETATM 4686 O O . HOH M 5 . . 38.936 47.409 -18.387 1 40.91 ? O HOH A 725 1 -HETATM 4687 O O . HOH M 5 . . 41.262 47.175 -17.411 1 38.05 ? O HOH A 726 1 -HETATM 4688 O O . HOH M 5 . . 12.478 74.038 6.484 1 49.67 ? O HOH A 734 1 -HETATM 4689 O O . HOH M 5 . . 18.509 73.301 5.314 1 43.09 ? O HOH A 735 1 -HETATM 4690 O O . HOH M 5 . . 19.75 65.654 -12.399 1 25.25 ? O HOH A 736 1 -HETATM 4691 O O . HOH M 5 . . 23.38 68.251 -12.222 1 25.18 ? O HOH A 737 1 -HETATM 4692 O O . HOH M 5 . . 14.892 62.388 -11.516 1 41.1 ? O HOH A 738 1 -HETATM 4693 O O . HOH M 5 . . 24.435 69.769 -18.274 1 48.14 ? O HOH A 744 1 -HETATM 4694 O O . HOH M 5 . . 25.815 69.476 -21.119 1 48.69 ? O HOH A 745 1 -HETATM 4695 O O . HOH M 5 . . 27.956 67.774 -19.811 1 55 ? O HOH A 746 1 -HETATM 4696 O O . HOH M 5 . . 26.553 66.389 -18.032 1 51.67 ? O HOH A 747 1 -HETATM 4697 O O . HOH N 5 . . 59.562 53.896 4.476 1 30.56 ? O HOH B 532 1 -HETATM 4698 O O . HOH N 5 . . 55.057 58.699 -15.558 1 44.05 ? O HOH B 555 1 -HETATM 4699 O O . HOH N 5 . . 59.004 61.481 -14.106 1 55 ? O HOH B 638 1 -HETATM 4700 O O . HOH N 5 . . 40.467 58.019 -13.975 1 51.91 ? O HOH B 664 1 -HETATM 4701 O O . HOH N 5 . . 43.433 63.243 -13.179 1 53.31 ? O HOH B 665 1 -HETATM 4702 O O . HOH N 5 . . 37.656 60.746 -12.566 1 55 ? O HOH B 680 1 -HETATM 4703 O O . HOH N 5 . . 27.051 28.112 9.958 1 40.96 ? O HOH B 694 1 -HETATM 4704 O O . HOH N 5 . . 66.35 59.431 7.53 1 46.96 ? O HOH B 698 1 -HETATM 4705 O O . HOH N 5 . . 50.447 47.743 -5.108 1 51.54 ? O HOH B 727 1 -HETATM 4706 O O . HOH N 5 . . 47.146 45.975 -3.411 1 42.22 ? O HOH B 728 1 -HETATM 4707 O O . HOH N 5 . . 46.157 49.437 -7.502 1 53.47 ? O HOH B 729 1 -HETATM 4708 O O . HOH N 5 . . 43.808 40.145 -13.034 1 30.09 ? O HOH B 730 1 -HETATM 4709 O O . HOH N 5 . . 36.05 55.545 6.786 1 37.49 ? O HOH B 731 1 -HETATM 4710 O O . HOH N 5 . . 38.361 59.27 3.275 1 53.62 ? O HOH B 732 1 -HETATM 4711 O O . HOH N 5 . . 40.217 64.375 2.797 1 44.11 ? O HOH B 733 1 -HETATM 4712 O O . HOH N 5 . . 41.541 53.966 -8.409 1 51.18 ? O HOH B 739 1 -HETATM 4713 O O . HOH N 5 . . 39.178 56.148 -9.152 1 32.47 ? O HOH B 740 1 -HETATM 4714 O O . HOH N 5 . . 40.084 58.973 -11.133 1 51.6 ? O HOH B 741 1 -HETATM 4715 O O . HOH N 5 . . 45.75 42.963 -13.26 1 55 ? O HOH B 757 1 -HETATM 4716 O O . HOH N 5 . . 53.894 43.192 17.506 1 50.14 ? O HOH B 758 1 -HETATM 4717 O O . HOH N 5 . . 51.308 41.624 18.445 1 44.78 ? O HOH B 759 1 -HETATM 4718 O O . HOH N 5 . . 51.831 41.946 22.916 1 43.08 ? O HOH B 760 1 +ATOM 1 O O5' DG 1 . . A 1 -5.513 61.883 -25.68 1 38.64 ? O5' DG -5 C 1 +ATOM 2 C C5' DG 1 . . A 1 -4.32 62.508 -25.164 1 41.72 ? C5' DG -5 C 1 +ATOM 3 C C4' DG 1 . . A 1 -4.328 63.985 -25.475 1 38.99 ? C4' DG -5 C 1 +ATOM 4 O O4' DG 1 . . A 1 -4.443 64.782 -24.264 1 30.81 ? O4' DG -5 C 1 +ATOM 5 C C3' DG 1 . . A 1 -3.102 64.474 -26.247 1 36.45 ? C3' DG -5 C 1 +ATOM 6 O O3' DG 1 . . A 1 -3.629 65.218 -27.36 1 46.52 ? O3' DG -5 C 1 +ATOM 7 C C2' DG 1 . . A 1 -2.32 65.297 -25.223 1 36.24 ? C2' DG -5 C 1 +ATOM 8 C C1' DG 1 . . A 1 -3.319 65.65 -24.112 1 38.95 ? C1' DG -5 C 1 +ATOM 9 N N9 DG 1 . . A 1 -2.861 65.541 -22.717 1 36.28 ? N9 DG -5 C 1 +ATOM 10 C C8 DG 1 . . A 1 -2.739 64.397 -21.97 1 33.98 ? C8 DG -5 C 1 +ATOM 11 N N7 DG 1 . . A 1 -2.338 64.624 -20.741 1 39.95 ? N7 DG -5 C 1 +ATOM 12 C C5 DG 1 . . A 1 -2.185 66.002 -20.669 1 35.4 ? C5 DG -5 C 1 +ATOM 13 C C6 DG 1 . . A 1 -1.775 66.862 -19.573 1 38.15 ? C6 DG -5 C 1 +ATOM 14 O O6 DG 1 . . A 1 -1.507 66.565 -18.403 1 32.94 ? O6 DG -5 C 1 +ATOM 15 N N1 DG 1 . . A 1 -1.712 68.193 -19.962 1 38.66 ? N1 DG -5 C 1 +ATOM 16 C C2 DG 1 . . A 1 -2.019 68.662 -21.202 1 43.52 ? C2 DG -5 C 1 +ATOM 17 N N2 DG 1 . . A 1 -1.892 69.982 -21.387 1 40.44 ? N2 DG -5 C 1 +ATOM 18 N N3 DG 1 . . A 1 -2.423 67.893 -22.212 1 46.07 ? N3 DG -5 C 1 +ATOM 19 C C4 DG 1 . . A 1 -2.482 66.586 -21.881 1 37.8 ? C4 DG -5 C 1 +ATOM 20 P P DC 2 . . A 1 -2.672 65.8 -28.514 1 43.99 ? P DC -4 C 1 +ATOM 21 O OP1 DC 2 . . A 1 -3.635 66.486 -29.432 1 41.89 ? OP1 DC -4 C 1 +ATOM 22 O OP2 DC 2 . . A 1 -1.774 64.742 -29.034 1 42.54 ? OP2 DC -4 C 1 +ATOM 23 O O5' DC 2 . . A 1 -1.839 66.949 -27.763 1 49.52 ? O5' DC -4 C 1 +ATOM 24 C C5' DC 2 . . A 1 -2.502 68.023 -27.042 1 39.42 ? C5' DC -4 C 1 +ATOM 25 C C4' DC 2 . . A 1 -2.448 69.314 -27.835 1 45.05 ? C4' DC -4 C 1 +ATOM 26 O O4' DC 2 . . A 1 -2.052 70.421 -26.997 1 38.1 ? O4' DC -4 C 1 +ATOM 27 C C3' DC 2 . . A 1 -1.383 69.287 -28.922 1 48.1 ? C3' DC -4 C 1 +ATOM 28 O O3' DC 2 . . A 1 -1.717 70.209 -29.944 1 53.24 ? O3' DC -4 C 1 +ATOM 29 C C2' DC 2 . . A 1 -0.129 69.756 -28.208 1 50.54 ? C2' DC -4 C 1 +ATOM 30 C C1' DC 2 . . A 1 -0.629 70.414 -26.93 1 46.09 ? C1' DC -4 C 1 +ATOM 31 N N1 DC 2 . . A 1 -0.27 69.624 -25.759 1 45.78 ? N1 DC -4 C 1 +ATOM 32 C C2 DC 2 . . A 1 -0.169 70.27 -24.535 1 49.94 ? C2 DC -4 C 1 +ATOM 33 O O2 DC 2 . . A 1 -0.365 71.498 -24.495 1 55 ? O2 DC -4 C 1 +ATOM 34 N N3 DC 2 . . A 1 0.137 69.555 -23.425 1 45.26 ? N3 DC -4 C 1 +ATOM 35 C C4 DC 2 . . A 1 0.342 68.242 -23.523 1 45.88 ? C4 DC -4 C 1 +ATOM 36 N N4 DC 2 . . A 1 0.631 67.562 -22.396 1 39.63 ? N4 DC -4 C 1 +ATOM 37 C C5 DC 2 . . A 1 0.257 67.561 -24.78 1 47.94 ? C5 DC -4 C 1 +ATOM 38 C C6 DC 2 . . A 1 -0.046 68.283 -25.858 1 38.54 ? C6 DC -4 C 1 +ATOM 39 P P DG 3 . . A 1 -1.047 70.066 -31.388 1 48.45 ? P DG -3 C 1 +ATOM 40 O OP1 DG 3 . . A 1 -2.067 70.399 -32.445 1 50.01 ? OP1 DG -3 C 1 +ATOM 41 O OP2 DG 3 . . A 1 -0.415 68.728 -31.365 1 51.07 ? OP2 DG -3 C 1 +ATOM 42 O O5' DG 3 . . A 1 0.05 71.208 -31.389 1 45.6 ? O5' DG -3 C 1 +ATOM 43 C C5' DG 3 . . A 1 1.345 70.968 -30.881 1 45.65 ? C5' DG -3 C 1 +ATOM 44 C C4' DG 3 . . A 1 1.892 72.247 -30.307 1 48.82 ? C4' DG -3 C 1 +ATOM 45 O O4' DG 3 . . A 1 2.096 72.061 -28.896 1 49.02 ? O4' DG -3 C 1 +ATOM 46 C C3' DG 3 . . A 1 3.254 72.61 -30.848 1 49.88 ? C3' DG -3 C 1 +ATOM 47 O O3' DG 3 . . A 1 3.435 74.032 -30.679 1 50.46 ? O3' DG -3 C 1 +ATOM 48 C C2' DG 3 . . A 1 4.171 71.762 -29.973 1 48.77 ? C2' DG -3 C 1 +ATOM 49 C C1' DG 3 . . A 1 3.481 71.831 -28.626 1 53.28 ? C1' DG -3 C 1 +ATOM 50 N N9 DG 3 . . A 1 3.584 70.642 -27.768 1 54.83 ? N9 DG -3 C 1 +ATOM 51 C C8 DG 3 . . A 1 3.54 69.321 -28.143 1 49.73 ? C8 DG -3 C 1 +ATOM 52 N N7 DG 3 . . A 1 3.646 68.501 -27.13 1 48.47 ? N7 DG -3 C 1 +ATOM 53 C C5 DG 3 . . A 1 3.773 69.325 -26.023 1 44.64 ? C5 DG -3 C 1 +ATOM 54 C C6 DG 3 . . A 1 3.926 69.011 -24.665 1 40.91 ? C6 DG -3 C 1 +ATOM 55 O O6 DG 3 . . A 1 4.003 67.922 -24.135 1 39.8 ? O6 DG -3 C 1 +ATOM 56 N N1 DG 3 . . A 1 4.003 70.138 -23.89 1 45.45 ? N1 DG -3 C 1 +ATOM 57 C C2 DG 3 . . A 1 3.958 71.419 -24.353 1 43.65 ? C2 DG -3 C 1 +ATOM 58 N N2 DG 3 . . A 1 4.056 72.375 -23.425 1 47.81 ? N2 DG -3 C 1 +ATOM 59 N N3 DG 3 . . A 1 3.827 71.741 -25.613 1 45.65 ? N3 DG -3 C 1 +ATOM 60 C C4 DG 3 . . A 1 3.738 70.649 -26.393 1 49.55 ? C4 DG -3 C 1 +ATOM 61 P P DA 4 . . A 1 4.3 74.86 -31.757 1 52.22 ? P DA -2 C 1 +ATOM 62 O OP1 DA 4 . . A 1 3.369 75.612 -32.671 1 48.13 ? OP1 DA -2 C 1 +ATOM 63 O OP2 DA 4 . . A 1 5.338 73.94 -32.351 1 46.12 ? OP2 DA -2 C 1 +ATOM 64 O O5' DA 4 . . A 1 5.135 75.903 -30.884 1 51.19 ? O5' DA -2 C 1 +ATOM 65 C C5' DA 4 . . A 1 4.504 76.78 -29.973 1 42.96 ? C5' DA -2 C 1 +ATOM 66 C C4' DA 4 . . A 1 5.313 76.844 -28.701 1 51.9 ? C4' DA -2 C 1 +ATOM 67 O O4' DA 4 . . A 1 5.377 75.524 -28.094 1 55 ? O4' DA -2 C 1 +ATOM 68 C C3' DA 4 . . A 1 6.766 77.289 -28.867 1 49.76 ? C3' DA -2 C 1 +ATOM 69 O O3' DA 4 . . A 1 7.103 78.034 -27.673 1 45.65 ? O3' DA -2 C 1 +ATOM 70 C C2' DA 4 . . A 1 7.501 75.95 -28.92 1 50.32 ? C2' DA -2 C 1 +ATOM 71 C C1' DA 4 . . A 1 6.726 75.133 -27.892 1 51.61 ? C1' DA -2 C 1 +ATOM 72 N N9 DA 4 . . A 1 6.781 73.667 -28.011 1 54.31 ? N9 DA -2 C 1 +ATOM 73 C C8 DA 4 . . A 1 6.819 72.889 -29.157 1 54.67 ? C8 DA -2 C 1 +ATOM 74 N N7 DA 4 . . A 1 6.846 71.59 -28.921 1 47.83 ? N7 DA -2 C 1 +ATOM 75 C C5 DA 4 . . A 1 6.833 71.505 -27.533 1 46.09 ? C5 DA -2 C 1 +ATOM 76 C C6 DA 4 . . A 1 6.857 70.4 -26.641 1 40.88 ? C6 DA -2 C 1 +ATOM 77 N N6 DA 4 . . A 1 6.89 69.123 -27.018 1 40.41 ? N6 DA -2 C 1 +ATOM 78 N N1 DA 4 . . A 1 6.842 70.664 -25.328 1 42.95 ? N1 DA -2 C 1 +ATOM 79 C C2 DA 4 . . A 1 6.801 71.942 -24.937 1 45.27 ? C2 DA -2 C 1 +ATOM 80 N N3 DA 4 . . A 1 6.775 73.06 -25.664 1 40.58 ? N3 DA -2 C 1 +ATOM 81 C C4 DA 4 . . A 1 6.794 72.775 -26.963 1 47.4 ? C4 DA -2 C 1 +ATOM 82 P P DA 5 . . A 1 8.207 79.196 -27.713 1 46.03 ? P DA -1 C 1 +ATOM 83 O OP1 DA 5 . . A 1 7.595 80.446 -27.189 1 40.78 ? OP1 DA -1 C 1 +ATOM 84 O OP2 DA 5 . . A 1 8.77 79.127 -29.092 1 45.36 ? OP2 DA -1 C 1 +ATOM 85 O O5' DA 5 . . A 1 9.336 78.745 -26.679 1 46.41 ? O5' DA -1 C 1 +ATOM 86 C C5' DA 5 . . A 1 9.09 78.817 -25.27 1 52.5 ? C5' DA -1 C 1 +ATOM 87 C C4' DA 5 . . A 1 9.985 77.875 -24.475 1 47.09 ? C4' DA -1 C 1 +ATOM 88 O O4' DA 5 . . A 1 9.776 76.472 -24.743 1 51.83 ? O4' DA -1 C 1 +ATOM 89 C C3' DA 5 . . A 1 11.483 78.094 -24.532 1 37.18 ? C3' DA -1 C 1 +ATOM 90 O O3' DA 5 . . A 1 11.827 78.105 -23.191 1 39.85 ? O3' DA -1 C 1 +ATOM 91 C C2' DA 5 . . A 1 12.035 76.871 -25.245 1 38.58 ? C2' DA -1 C 1 +ATOM 92 C C1' DA 5 . . A 1 11.022 75.795 -24.899 1 48.8 ? C1' DA -1 C 1 +ATOM 93 N N9 DA 5 . . A 1 10.78 74.723 -25.877 1 46.32 ? N9 DA -1 C 1 +ATOM 94 C C8 DA 5 . . A 1 10.462 74.789 -27.21 1 51.01 ? C8 DA -1 C 1 +ATOM 95 N N7 DA 5 . . A 1 10.279 73.613 -27.776 1 48.57 ? N7 DA -1 C 1 +ATOM 96 C C5 DA 5 . . A 1 10.499 72.718 -26.751 1 48.85 ? C5 DA -1 C 1 +ATOM 97 C C6 DA 5 . . A 1 10.431 71.323 -26.688 1 48.01 ? C6 DA -1 C 1 +ATOM 98 N N6 DA 5 . . A 1 10.155 70.53 -27.723 1 53.37 ? N6 DA -1 C 1 +ATOM 99 N N1 DA 5 . . A 1 10.668 70.748 -25.506 1 49.06 ? N1 DA -1 C 1 +ATOM 100 C C2 DA 5 . . A 1 10.966 71.521 -24.456 1 51.75 ? C2 DA -1 C 1 +ATOM 101 N N3 DA 5 . . A 1 11.071 72.84 -24.381 1 51.23 ? N3 DA -1 C 1 +ATOM 102 C C4 DA 5 . . A 1 10.815 73.385 -25.577 1 50.45 ? C4 DA -1 C 1 +ATOM 103 P P DA 6 . . A 1 13.35 78.05 -22.773 1 47.45 ? P DA 1 C 1 +ATOM 104 O OP1 DA 6 . . A 1 13.469 78.954 -21.582 1 45.49 ? OP1 DA 1 C 1 +ATOM 105 O OP2 DA 6 . . A 1 14.274 78.193 -23.934 1 42.5 ? OP2 DA 1 C 1 +ATOM 106 O O5' DA 6 . . A 1 13.498 76.545 -22.326 1 48.52 ? O5' DA 1 C 1 +ATOM 107 C C5' DA 6 . . A 1 12.567 75.958 -21.444 1 43.66 ? C5' DA 1 C 1 +ATOM 108 C C4' DA 6 . . A 1 13.127 74.642 -20.987 1 45.75 ? C4' DA 1 C 1 +ATOM 109 O O4' DA 6 . . A 1 13.034 73.74 -22.116 1 39.86 ? O4' DA 1 C 1 +ATOM 110 C C3' DA 6 . . A 1 14.615 74.72 -20.604 1 45.3 ? C3' DA 1 C 1 +ATOM 111 O O3' DA 6 . . A 1 14.788 74.066 -19.312 1 47.29 ? O3' DA 1 C 1 +ATOM 112 C C2' DA 6 . . A 1 15.331 74.106 -21.803 1 40.69 ? C2' DA 1 C 1 +ATOM 113 C C1' DA 6 . . A 1 14.294 73.152 -22.379 1 40.17 ? C1' DA 1 C 1 +ATOM 114 N N9 DA 6 . . A 1 14.311 72.882 -23.814 1 43.03 ? N9 DA 1 C 1 +ATOM 115 C C8 DA 6 . . A 1 14.56 73.738 -24.843 1 47.38 ? C8 DA 1 C 1 +ATOM 116 N N7 DA 6 . . A 1 14.454 73.186 -26.03 1 46.14 ? N7 DA 1 C 1 +ATOM 117 C C5 DA 6 . . A 1 14.118 71.871 -25.758 1 42.97 ? C5 DA 1 C 1 +ATOM 118 C C6 DA 6 . . A 1 13.824 70.756 -26.604 1 47.73 ? C6 DA 1 C 1 +ATOM 119 N N6 DA 6 . . A 1 13.851 70.79 -27.945 1 44.81 ? N6 DA 1 C 1 +ATOM 120 N N1 DA 6 . . A 1 13.494 69.592 -26.006 1 51.72 ? N1 DA 1 C 1 +ATOM 121 C C2 DA 6 . . A 1 13.464 69.553 -24.654 1 55 ? C2 DA 1 C 1 +ATOM 122 N N3 DA 6 . . A 1 13.717 70.525 -23.768 1 45.64 ? N3 DA 1 C 1 +ATOM 123 C C4 DA 6 . . A 1 14.039 71.668 -24.393 1 43.59 ? C4 DA 1 C 1 +ATOM 124 P P DA 7 . . A 1 16.253 73.696 -18.748 1 45.8 ? P DA 2 C 1 +ATOM 125 O OP1 DA 7 . . A 1 16.183 73.492 -17.271 1 44.06 ? OP1 DA 2 C 1 +ATOM 126 O OP2 DA 7 . . A 1 17.314 74.543 -19.344 1 42.72 ? OP2 DA 2 C 1 +ATOM 127 O O5' DA 7 . . A 1 16.478 72.24 -19.326 1 51.3 ? O5' DA 2 C 1 +ATOM 128 C C5' DA 7 . . A 1 15.493 71.236 -19.112 1 47.61 ? C5' DA 2 C 1 +ATOM 129 C C4' DA 7 . . A 1 15.922 69.943 -19.763 1 42.19 ? C4' DA 2 C 1 +ATOM 130 O O4' DA 7 . . A 1 15.79 70.056 -21.196 1 39.05 ? O4' DA 2 C 1 +ATOM 131 C C3' DA 7 . . A 1 17.371 69.56 -19.486 1 34.23 ? C3' DA 2 C 1 +ATOM 132 O O3' DA 7 . . A 1 17.34 68.254 -18.878 1 29.13 ? O3' DA 2 C 1 +ATOM 133 C C2' DA 7 . . A 1 18.022 69.64 -20.861 1 30.35 ? C2' DA 2 C 1 +ATOM 134 C C1' DA 7 . . A 1 16.863 69.442 -21.807 1 30.17 ? C1' DA 2 C 1 +ATOM 135 N N9 DA 7 . . A 1 17.041 70.086 -23.087 1 28.16 ? N9 DA 2 C 1 +ATOM 136 C C8 DA 7 . . A 1 17.331 71.391 -23.351 1 37.58 ? C8 DA 2 C 1 +ATOM 137 N N7 DA 7 . . A 1 17.451 71.662 -24.618 1 35.88 ? N7 DA 2 C 1 +ATOM 138 C C5 DA 7 . . A 1 17.221 70.435 -25.233 1 39.4 ? C5 DA 2 C 1 +ATOM 139 C C6 DA 7 . . A 1 17.271 70.012 -26.579 1 38.39 ? C6 DA 2 C 1 +ATOM 140 N N6 DA 7 . . A 1 17.514 70.816 -27.604 1 42.42 ? N6 DA 2 C 1 +ATOM 141 N N1 DA 7 . . A 1 17.058 68.71 -26.831 1 37.24 ? N1 DA 2 C 1 +ATOM 142 C C2 DA 7 . . A 1 16.808 67.89 -25.803 1 38.7 ? C2 DA 2 C 1 +ATOM 143 N N3 DA 7 . . A 1 16.734 68.161 -24.52 1 34.87 ? N3 DA 2 C 1 +ATOM 144 C C4 DA 7 . . A 1 16.957 69.467 -24.293 1 34.26 ? C4 DA 2 C 1 +ATOM 145 P P DG 8 . . A 1 18.711 67.431 -18.615 1 18.93 ? P DG 3 C 1 +ATOM 146 O OP1 DG 8 . . A 1 18.258 66.503 -17.501 1 17.51 ? OP1 DG 3 C 1 +ATOM 147 O OP2 DG 8 . . A 1 19.981 68.214 -18.499 1 15.92 ? OP2 DG 3 C 1 +ATOM 148 O O5' DG 8 . . A 1 18.863 66.613 -19.967 1 22.62 ? O5' DG 3 C 1 +ATOM 149 C C5' DG 8 . . A 1 17.817 65.715 -20.388 1 19.89 ? C5' DG 3 C 1 +ATOM 150 C C4' DG 8 . . A 1 18.278 64.931 -21.585 1 10.77 ? C4' DG 3 C 1 +ATOM 151 O O4' DG 8 . . A 1 18.382 65.896 -22.634 1 13.32 ? O4' DG 3 C 1 +ATOM 152 C C3' DG 8 . . A 1 19.678 64.313 -21.451 1 12.75 ? C3' DG 3 C 1 +ATOM 153 O O3' DG 8 . . A 1 19.583 62.928 -21.708 1 14.83 ? O3' DG 3 C 1 +ATOM 154 C C2' DG 8 . . A 1 20.508 65.046 -22.477 1 6 ? C2' DG 3 C 1 +ATOM 155 C C1' DG 8 . . A 1 19.427 65.526 -23.434 1 14.49 ? C1' DG 3 C 1 +ATOM 156 N N9 DG 8 . . A 1 19.855 66.655 -24.243 1 21.27 ? N9 DG 3 C 1 +ATOM 157 C C8 DG 8 . . A 1 20.562 67.748 -23.802 1 30.68 ? C8 DG 3 C 1 +ATOM 158 N N7 DG 8 . . A 1 20.895 68.569 -24.76 1 31.53 ? N7 DG 3 C 1 +ATOM 159 C C5 DG 8 . . A 1 20.359 67.993 -25.906 1 32.34 ? C5 DG 3 C 1 +ATOM 160 C C6 DG 8 . . A 1 20.455 68.399 -27.28 1 31.35 ? C6 DG 3 C 1 +ATOM 161 O O6 DG 8 . . A 1 21.035 69.435 -27.791 1 26.87 ? O6 DG 3 C 1 +ATOM 162 N N1 DG 8 . . A 1 19.8 67.489 -28.115 1 33.43 ? N1 DG 3 C 1 +ATOM 163 C C2 DG 8 . . A 1 19.146 66.362 -27.705 1 35.48 ? C2 DG 3 C 1 +ATOM 164 N N2 DG 8 . . A 1 18.574 65.651 -28.702 1 34.59 ? N2 DG 3 C 1 +ATOM 165 N N3 DG 8 . . A 1 19.058 65.967 -26.43 1 28.62 ? N3 DG 3 C 1 +ATOM 166 C C4 DG 8 . . A 1 19.686 66.821 -25.596 1 23.64 ? C4 DG 3 C 1 +ATOM 167 P P DT 9 . . A 1 20.899 62.044 -21.929 1 17.48 ? P DT 4 C 1 +ATOM 168 O OP1 DT 9 . . A 1 20.504 60.642 -21.676 1 28.44 ? OP1 DT 4 C 1 +ATOM 169 O OP2 DT 9 . . A 1 22.214 62.555 -21.389 1 21.5 ? OP2 DT 4 C 1 +ATOM 170 O O5' DT 9 . . A 1 21.133 62.257 -23.491 1 28.24 ? O5' DT 4 C 1 +ATOM 171 C C5' DT 9 . . A 1 20.299 61.671 -24.463 1 17.17 ? C5' DT 4 C 1 +ATOM 172 C C4' DT 9 . . A 1 21.077 61.568 -25.744 1 21.82 ? C4' DT 4 C 1 +ATOM 173 O O4' DT 9 . . A 1 21.197 62.933 -26.189 1 25.33 ? O4' DT 4 C 1 +ATOM 174 C C3' DT 9 . . A 1 22.517 61.03 -25.571 1 24.78 ? C3' DT 4 C 1 +ATOM 175 O O3' DT 9 . . A 1 22.744 59.961 -26.509 1 19.15 ? O3' DT 4 C 1 +ATOM 176 C C2' DT 9 . . A 1 23.425 62.234 -25.783 1 22.8 ? C2' DT 4 C 1 +ATOM 177 C C1' DT 9 . . A 1 22.531 63.164 -26.598 1 26.79 ? C1' DT 4 C 1 +ATOM 178 N N1 DT 9 . . A 1 22.802 64.613 -26.484 1 27.98 ? N1 DT 4 C 1 +ATOM 179 C C2 DT 9 . . A 1 22.857 65.297 -27.679 1 23.63 ? C2 DT 4 C 1 +ATOM 180 O O2 DT 9 . . A 1 22.666 64.738 -28.745 1 29.11 ? O2 DT 4 C 1 +ATOM 181 N N3 DT 9 . . A 1 23.139 66.653 -27.586 1 18.52 ? N3 DT 4 C 1 +ATOM 182 C C4 DT 9 . . A 1 23.365 67.368 -26.418 1 26.6 ? C4 DT 4 C 1 +ATOM 183 O O4 DT 9 . . A 1 23.613 68.594 -26.49 1 18.4 ? O4 DT 4 C 1 +ATOM 184 C C5 DT 9 . . A 1 23.281 66.557 -25.168 1 15.09 ? C5 DT 4 C 1 +ATOM 185 C C7 DT 9 . . A 1 23.523 67.217 -23.857 1 17.01 ? C7 DT 4 C 1 +ATOM 186 C C6 DT 9 . . A 1 23.003 65.249 -25.272 1 21.89 ? C6 DT 4 C 1 +ATOM 187 P P DG 10 . . A 1 24.22 59.323 -26.711 1 25.35 ? P DG 5 C 1 +ATOM 188 O OP1 DG 10 . . A 1 23.806 57.932 -26.932 1 24.62 ? OP1 DG 5 C 1 +ATOM 189 O OP2 DG 10 . . A 1 25.315 59.649 -25.757 1 23.48 ? OP2 DG 5 C 1 +ATOM 190 O O5' DG 10 . . A 1 24.653 59.869 -28.138 1 32.8 ? O5' DG 5 C 1 +ATOM 191 C C5' DG 10 . . A 1 23.752 59.614 -29.225 1 36.5 ? C5' DG 5 C 1 +ATOM 192 C C4' DG 10 . . A 1 24.415 59.818 -30.556 1 25.94 ? C4' DG 5 C 1 +ATOM 193 O O4' DG 10 . . A 1 24.753 61.197 -30.595 1 28.89 ? O4' DG 5 C 1 +ATOM 194 C C3' DG 10 . . A 1 25.685 59.022 -30.785 1 34.63 ? C3' DG 5 C 1 +ATOM 195 O O3' DG 10 . . A 1 25.62 58.394 -32.092 1 32.43 ? O3' DG 5 C 1 +ATOM 196 C C2' DG 10 . . A 1 26.799 60.023 -30.503 1 33.78 ? C2' DG 5 C 1 +ATOM 197 C C1' DG 10 . . A 1 26.143 61.394 -30.612 1 35.99 ? C1' DG 5 C 1 +ATOM 198 N N9 DG 10 . . A 1 26.408 62.369 -29.558 1 40.06 ? N9 DG 5 C 1 +ATOM 199 C C8 DG 10 . . A 1 26.645 62.115 -28.231 1 35.11 ? C8 DG 5 C 1 +ATOM 200 N N7 DG 10 . . A 1 26.819 63.202 -27.521 1 33.83 ? N7 DG 5 C 1 +ATOM 201 C C5 DG 10 . . A 1 26.69 64.246 -28.429 1 37.23 ? C5 DG 5 C 1 +ATOM 202 C C6 DG 10 . . A 1 26.781 65.665 -28.231 1 33.12 ? C6 DG 5 C 1 +ATOM 203 O O6 DG 10 . . A 1 26.979 66.277 -27.196 1 36.14 ? O6 DG 5 C 1 +ATOM 204 N N1 DG 10 . . A 1 26.61 66.365 -29.415 1 35.63 ? N1 DG 5 C 1 +ATOM 205 C C2 DG 10 . . A 1 26.384 65.789 -30.646 1 38.08 ? C2 DG 5 C 1 +ATOM 206 N N2 DG 10 . . A 1 26.275 66.639 -31.649 1 35.21 ? N2 DG 5 C 1 +ATOM 207 N N3 DG 10 . . A 1 26.281 64.466 -30.863 1 37.93 ? N3 DG 5 C 1 +ATOM 208 C C4 DG 10 . . A 1 26.445 63.757 -29.704 1 41.91 ? C4 DG 5 C 1 +ATOM 209 P P DT 11 . . A 1 26.965 58.071 -32.91 1 40.56 ? P DT 6 C 1 +ATOM 210 O OP1 DT 11 . . A 1 26.564 57.966 -34.31 1 35.2 ? OP1 DT 6 C 1 +ATOM 211 O OP2 DT 11 . . A 1 27.79 56.985 -32.319 1 36 ? OP2 DT 6 C 1 +ATOM 212 O O5' DT 11 . . A 1 27.764 59.412 -32.739 1 33.05 ? O5' DT 6 C 1 +ATOM 213 C C5' DT 11 . . A 1 27.4 60.519 -33.495 1 25.39 ? C5' DT 6 C 1 +ATOM 214 C C4' DT 11 . . A 1 28.601 60.978 -34.243 1 33.42 ? C4' DT 6 C 1 +ATOM 215 O O4' DT 11 . . A 1 29.078 62.13 -33.549 1 33.86 ? O4' DT 6 C 1 +ATOM 216 C C3' DT 11 . . A 1 29.747 59.969 -34.226 1 43.29 ? C3' DT 6 C 1 +ATOM 217 O O3' DT 11 . . A 1 30.483 60.179 -35.44 1 54.14 ? O3' DT 6 C 1 +ATOM 218 C C2' DT 11 . . A 1 30.549 60.369 -32.992 1 37.21 ? C2' DT 6 C 1 +ATOM 219 C C1' DT 11 . . A 1 30.302 61.878 -32.866 1 37.56 ? C1' DT 6 C 1 +ATOM 220 N N1 DT 11 . . A 1 30.084 62.366 -31.495 1 38.76 ? N1 DT 6 C 1 +ATOM 221 C C2 DT 11 . . A 1 29.879 63.727 -31.286 1 38.07 ? C2 DT 6 C 1 +ATOM 222 O O2 DT 11 . . A 1 29.906 64.568 -32.164 1 37.79 ? O2 DT 6 C 1 +ATOM 223 N N3 DT 11 . . A 1 29.643 64.073 -29.991 1 42.06 ? N3 DT 6 C 1 +ATOM 224 C C4 DT 11 . . A 1 29.6 63.23 -28.901 1 43.79 ? C4 DT 6 C 1 +ATOM 225 O O4 DT 11 . . A 1 29.371 63.699 -27.79 1 42.64 ? O4 DT 6 C 1 +ATOM 226 C C5 DT 11 . . A 1 29.841 61.814 -29.195 1 42.21 ? C5 DT 6 C 1 +ATOM 227 C C7 DT 11 . . A 1 29.822 60.814 -28.086 1 42.65 ? C7 DT 6 C 1 +ATOM 228 C C6 DT 11 . . A 1 30.069 61.47 -30.457 1 37.01 ? C6 DT 6 C 1 +ATOM 229 P P DG 12 . . A 1 31.343 59.002 -36.098 1 53.86 ? P DG 7 C 1 +ATOM 230 O OP1 DG 12 . . A 1 31.126 59.181 -37.584 1 47.74 ? OP1 DG 7 C 1 +ATOM 231 O OP2 DG 12 . . A 1 31.029 57.678 -35.465 1 55 ? OP2 DG 7 C 1 +ATOM 232 O O5' DG 12 . . A 1 32.825 59.451 -35.688 1 52.23 ? O5' DG 7 C 1 +ATOM 233 C C5' DG 12 . . A 1 33.372 60.676 -36.214 1 51.25 ? C5' DG 7 C 1 +ATOM 234 C C4' DG 12 . . A 1 34.721 61.016 -35.603 1 50.7 ? C4' DG 7 C 1 +ATOM 235 O O4' DG 12 . . A 1 34.534 61.717 -34.355 1 49.07 ? O4' DG 7 C 1 +ATOM 236 C C3' DG 12 . . A 1 35.666 59.854 -35.291 1 53.77 ? C3' DG 7 C 1 +ATOM 237 O O3' DG 12 . . A 1 37.034 60.28 -35.526 1 50.25 ? O3' DG 7 C 1 +ATOM 238 C C2' DG 12 . . A 1 35.403 59.617 -33.808 1 54.16 ? C2' DG 7 C 1 +ATOM 239 C C1' DG 12 . . A 1 35.221 61.043 -33.315 1 52.84 ? C1' DG 7 C 1 +ATOM 240 N N9 DG 12 . . A 1 34.427 61.208 -32.107 1 49.18 ? N9 DG 7 C 1 +ATOM 241 C C8 DG 12 . . A 1 33.357 60.46 -31.688 1 49.23 ? C8 DG 7 C 1 +ATOM 242 N N7 DG 12 . . A 1 32.859 60.885 -30.559 1 49.36 ? N7 DG 7 C 1 +ATOM 243 C C5 DG 12 . . A 1 33.658 61.972 -30.223 1 45.61 ? C5 DG 7 C 1 +ATOM 244 C C6 DG 12 . . A 1 33.595 62.855 -29.12 1 43.93 ? C6 DG 7 C 1 +ATOM 245 O O6 DG 12 . . A 1 32.817 62.849 -28.181 1 48.29 ? O6 DG 7 C 1 +ATOM 246 N N1 DG 12 . . A 1 34.572 63.828 -29.184 1 48.24 ? N1 DG 7 C 1 +ATOM 247 C C2 DG 12 . . A 1 35.501 63.943 -30.187 1 51.08 ? C2 DG 7 C 1 +ATOM 248 N N2 DG 12 . . A 1 36.385 64.954 -30.084 1 48.89 ? N2 DG 7 C 1 +ATOM 249 N N3 DG 12 . . A 1 35.566 63.129 -31.218 1 51.58 ? N3 DG 7 C 1 +ATOM 250 C C4 DG 12 . . A 1 34.622 62.174 -31.171 1 45.71 ? C4 DG 7 C 1 +ATOM 251 P P DA 13 . . A 1 38.033 59.37 -36.407 1 50.53 ? P DA 8 C 1 +ATOM 252 O OP1 DA 13 . . A 1 37.594 59.4 -37.818 1 54.92 ? OP1 DA 8 C 1 +ATOM 253 O OP2 DA 13 . . A 1 38.282 58.052 -35.74 1 48.74 ? OP2 DA 8 C 1 +ATOM 254 O O5' DA 13 . . A 1 39.371 60.212 -36.338 1 53.18 ? O5' DA 8 C 1 +ATOM 255 C C5' DA 13 . . A 1 39.365 61.593 -36.705 1 48.77 ? C5' DA 8 C 1 +ATOM 256 C C4' DA 13 . . A 1 40.338 62.376 -35.849 1 50.89 ? C4' DA 8 C 1 +ATOM 257 O O4' DA 13 . . A 1 39.68 62.759 -34.612 1 54 ? O4' DA 8 C 1 +ATOM 258 C C3' DA 13 . . A 1 41.61 61.6 -35.469 1 49.06 ? C3' DA 8 C 1 +ATOM 259 O O3' DA 13 . . A 1 42.807 62.293 -35.881 1 50.06 ? O3' DA 8 C 1 +ATOM 260 C C2' DA 13 . . A 1 41.509 61.35 -33.967 1 49.82 ? C2' DA 8 C 1 +ATOM 261 C C1' DA 13 . . A 1 40.409 62.289 -33.477 1 49.02 ? C1' DA 8 C 1 +ATOM 262 N N9 DA 13 . . A 1 39.451 61.633 -32.614 1 42.96 ? N9 DA 8 C 1 +ATOM 263 C C8 DA 13 . . A 1 38.713 60.51 -32.851 1 44.89 ? C8 DA 8 C 1 +ATOM 264 N N7 DA 13 . . A 1 37.921 60.181 -31.86 1 46.16 ? N7 DA 8 C 1 +ATOM 265 C C5 DA 13 . . A 1 38.16 61.165 -30.899 1 47.1 ? C5 DA 8 C 1 +ATOM 266 C C6 DA 13 . . A 1 37.648 61.391 -29.589 1 41.87 ? C6 DA 8 C 1 +ATOM 267 N N6 DA 13 . . A 1 36.742 60.623 -28.96 1 44.15 ? N6 DA 8 C 1 +ATOM 268 N N1 DA 13 . . A 1 38.122 62.46 -28.929 1 47.7 ? N1 DA 8 C 1 +ATOM 269 C C2 DA 13 . . A 1 39.055 63.243 -29.525 1 49.8 ? C2 DA 8 C 1 +ATOM 270 N N3 DA 13 . . A 1 39.609 63.127 -30.722 1 43.83 ? N3 DA 8 C 1 +ATOM 271 C C4 DA 13 . . A 1 39.109 62.061 -31.364 1 44.77 ? C4 DA 8 C 1 +ATOM 272 P P DC 14 . . A 1 43.209 63.711 -35.215 1 55 ? P DC 9 C 1 +ATOM 273 O OP1 DC 14 . . A 1 42.187 64.272 -34.22 1 45.38 ? OP1 DC 9 C 1 +ATOM 274 O OP2 DC 14 . . A 1 43.64 64.57 -36.356 1 55 ? OP2 DC 9 C 1 +ATOM 275 O O5' DC 14 . . A 1 44.591 63.333 -34.488 1 55 ? O5' DC 9 C 1 +ATOM 276 C C5' DC 14 . . A 1 44.629 62.522 -33.292 1 55 ? C5' DC 9 C 1 +ATOM 277 C C4' DC 14 . . A 1 44.806 63.399 -32.071 1 55 ? C4' DC 9 C 1 +ATOM 278 O O4' DC 14 . . A 1 43.485 63.682 -31.53 1 55 ? O4' DC 9 C 1 +ATOM 279 C C3' DC 14 . . A 1 45.575 62.759 -30.908 1 55 ? C3' DC 9 C 1 +ATOM 280 O O3' DC 14 . . A 1 47.034 62.836 -30.939 1 51.34 ? O3' DC 9 C 1 +ATOM 281 C C2' DC 14 . . A 1 45.014 63.518 -29.719 1 53.94 ? C2' DC 9 C 1 +ATOM 282 C C1' DC 14 . . A 1 43.543 63.632 -30.101 1 55 ? C1' DC 9 C 1 +ATOM 283 N N1 DC 14 . . A 1 42.749 62.473 -29.677 1 53.8 ? N1 DC 9 C 1 +ATOM 284 C C2 DC 14 . . A 1 41.948 62.577 -28.531 1 55 ? C2 DC 9 C 1 +ATOM 285 O O2 DC 14 . . A 1 41.933 63.659 -27.875 1 51.65 ? O2 DC 9 C 1 +ATOM 286 N N3 DC 14 . . A 1 41.209 61.505 -28.16 1 55 ? N3 DC 9 C 1 +ATOM 287 C C4 DC 14 . . A 1 41.251 60.373 -28.874 1 51.33 ? C4 DC 9 C 1 +ATOM 288 N N4 DC 14 . . A 1 40.49 59.342 -28.467 1 50.82 ? N4 DC 9 C 1 +ATOM 289 C C5 DC 14 . . A 1 42.063 60.246 -30.03 1 47.38 ? C5 DC 9 C 1 +ATOM 290 C C6 DC 14 . . A 1 42.788 61.309 -30.393 1 50.58 ? C6 DC 9 C 1 +ATOM 291 O O5' DG 1 . . C 1 76.815 50.937 20.413 1 52.03 ? O5' DG 27 E 1 +ATOM 292 C C5' DG 1 . . C 1 76.054 50.947 19.139 1 53.94 ? C5' DG 27 E 1 +ATOM 293 C C4' DG 1 . . C 1 75.889 49.574 18.513 1 51.38 ? C4' DG 27 E 1 +ATOM 294 O O4' DG 1 . . C 1 74.911 48.814 19.274 1 46.86 ? O4' DG 27 E 1 +ATOM 295 C C3' DG 1 . . C 1 75.394 49.567 17.056 1 51.37 ? C3' DG 27 E 1 +ATOM 296 O O3' DG 1 . . C 1 75.926 48.411 16.35 1 50.51 ? O3' DG 27 E 1 +ATOM 297 C C2' DG 1 . . C 1 73.899 49.383 17.243 1 43.52 ? C2' DG 27 E 1 +ATOM 298 C C1' DG 1 . . C 1 73.922 48.381 18.38 1 44.32 ? C1' DG 27 E 1 +ATOM 299 N N9 DG 1 . . C 1 72.671 48.258 19.097 1 45.59 ? N9 DG 27 E 1 +ATOM 300 C C8 DG 1 . . C 1 71.886 49.247 19.62 1 44.53 ? C8 DG 27 E 1 +ATOM 301 N N7 DG 1 . . C 1 70.8 48.789 20.181 1 42.86 ? N7 DG 27 E 1 +ATOM 302 C C5 DG 1 . . C 1 70.888 47.416 20.018 1 44.9 ? C5 DG 27 E 1 +ATOM 303 C C6 DG 1 . . C 1 69.997 46.398 20.364 1 40.74 ? C6 DG 27 E 1 +ATOM 304 O O6 DG 1 . . C 1 68.912 46.488 20.927 1 37.4 ? O6 DG 27 E 1 +ATOM 305 N N1 DG 1 . . C 1 70.472 45.144 19.975 1 48.9 ? N1 DG 27 E 1 +ATOM 306 C C2 DG 1 . . C 1 71.645 44.91 19.33 1 43.29 ? C2 DG 27 E 1 +ATOM 307 N N2 DG 1 . . C 1 71.934 43.644 19.044 1 46.92 ? N2 DG 27 E 1 +ATOM 308 N N3 DG 1 . . C 1 72.481 45.855 18.991 1 48.53 ? N3 DG 27 E 1 +ATOM 309 C C4 DG 1 . . C 1 72.041 47.079 19.362 1 48.5 ? C4 DG 27 E 1 +ATOM 310 P P DC 2 . . C 1 77.243 48.546 15.372 1 55 ? P DC 26 E 1 +ATOM 311 O OP1 DC 2 . . C 1 78.447 49.313 15.988 1 49.85 ? OP1 DC 26 E 1 +ATOM 312 O OP2 DC 2 . . C 1 76.668 48.997 14.044 1 51.68 ? OP2 DC 26 E 1 +ATOM 313 O O5' DC 2 . . C 1 77.71 47.015 15.131 1 55 ? O5' DC 26 E 1 +ATOM 314 C C5' DC 2 . . C 1 77.827 46.054 16.232 1 55 ? C5' DC 26 E 1 +ATOM 315 C C4' DC 2 . . C 1 77.505 44.639 15.778 1 51.81 ? C4' DC 26 E 1 +ATOM 316 O O4' DC 2 . . C 1 76.285 44.147 16.368 1 51.44 ? O4' DC 26 E 1 +ATOM 317 C C3' DC 2 . . C 1 77.301 44.546 14.29 1 49.35 ? C3' DC 26 E 1 +ATOM 318 O O3' DC 2 . . C 1 78.538 44.108 13.821 1 54.36 ? O3' DC 26 E 1 +ATOM 319 C C2' DC 2 . . C 1 76.171 43.547 14.091 1 48.19 ? C2' DC 26 E 1 +ATOM 320 C C1' DC 2 . . C 1 75.409 43.551 15.403 1 49.02 ? C1' DC 26 E 1 +ATOM 321 N N1 DC 2 . . C 1 74.121 44.276 15.515 1 51.88 ? N1 DC 26 E 1 +ATOM 322 C C2 DC 2 . . C 1 73 43.598 16.103 1 53.04 ? C2 DC 26 E 1 +ATOM 323 O O2 DC 2 . . C 1 73.11 42.407 16.459 1 47.84 ? O2 DC 26 E 1 +ATOM 324 N N3 DC 2 . . C 1 71.828 44.278 16.261 1 52.98 ? N3 DC 26 E 1 +ATOM 325 C C4 DC 2 . . C 1 71.73 45.558 15.859 1 51.67 ? C4 DC 26 E 1 +ATOM 326 N N4 DC 2 . . C 1 70.567 46.165 16.047 1 43.98 ? N4 DC 26 E 1 +ATOM 327 C C5 DC 2 . . C 1 72.83 46.257 15.249 1 49.23 ? C5 DC 26 E 1 +ATOM 328 C C6 DC 2 . . C 1 73.993 45.583 15.094 1 50.39 ? C6 DC 26 E 1 +ATOM 329 P P DG 3 . . C 1 79.173 44.843 12.573 1 55 ? P DG 25 E 1 +ATOM 330 O OP1 DG 3 . . C 1 80.584 44.328 12.444 1 55 ? OP1 DG 25 E 1 +ATOM 331 O OP2 DG 3 . . C 1 78.966 46.306 12.897 1 55 ? OP2 DG 25 E 1 +ATOM 332 O O5' DG 3 . . C 1 78.196 44.364 11.359 1 55 ? O5' DG 25 E 1 +ATOM 333 C C5' DG 3 . . C 1 78.478 43.209 10.495 1 52.26 ? C5' DG 25 E 1 +ATOM 334 C C4' DG 3 . . C 1 77.452 42.082 10.656 1 54.91 ? C4' DG 25 E 1 +ATOM 335 O O4' DG 3 . . C 1 76.352 42.332 11.592 1 52.47 ? O4' DG 25 E 1 +ATOM 336 C C3' DG 3 . . C 1 76.787 41.631 9.357 1 52.97 ? C3' DG 25 E 1 +ATOM 337 O O3' DG 3 . . C 1 76.872 40.204 9.195 1 55 ? O3' DG 25 E 1 +ATOM 338 C C2' DG 3 . . C 1 75.325 42.029 9.526 1 46.88 ? C2' DG 25 E 1 +ATOM 339 C C1' DG 3 . . C 1 75.059 42.062 11.019 1 45.56 ? C1' DG 25 E 1 +ATOM 340 N N9 DG 3 . . C 1 74.155 43.181 11.354 1 49.9 ? N9 DG 25 E 1 +ATOM 341 C C8 DG 3 . . C 1 74.374 44.512 10.982 1 48.23 ? C8 DG 25 E 1 +ATOM 342 N N7 DG 3 . . C 1 73.428 45.341 11.395 1 54.11 ? N7 DG 25 E 1 +ATOM 343 C C5 DG 3 . . C 1 72.508 44.523 12.092 1 53.48 ? C5 DG 25 E 1 +ATOM 344 C C6 DG 3 . . C 1 71.237 44.842 12.755 1 51.42 ? C6 DG 25 E 1 +ATOM 345 O O6 DG 3 . . C 1 70.631 45.91 12.948 1 54.79 ? O6 DG 25 E 1 +ATOM 346 N N1 DG 3 . . C 1 70.59 43.717 13.342 1 51.03 ? N1 DG 25 E 1 +ATOM 347 C C2 DG 3 . . C 1 71.13 42.43 13.246 1 48.33 ? C2 DG 25 E 1 +ATOM 348 N N2 DG 3 . . C 1 70.361 41.479 13.843 1 51.08 ? N2 DG 25 E 1 +ATOM 349 N N3 DG 3 . . C 1 72.305 42.1 12.63 1 55 ? N3 DG 25 E 1 +ATOM 350 C C4 DG 3 . . C 1 72.933 43.175 12.079 1 55 ? C4 DG 25 E 1 +ATOM 351 P P DA 4 . . C 1 75.959 39.437 8.054 1 55 ? P DA 24 E 1 +ATOM 352 O OP1 DA 4 . . C 1 76.876 38.575 7.24 1 55 ? OP1 DA 24 E 1 +ATOM 353 O OP2 DA 4 . . C 1 74.999 40.347 7.343 1 55 ? OP2 DA 24 E 1 +ATOM 354 O O5' DA 4 . . C 1 74.998 38.491 8.907 1 55 ? O5' DA 24 E 1 +ATOM 355 C C5' DA 4 . . C 1 74.545 37.267 8.371 1 49.21 ? C5' DA 24 E 1 +ATOM 356 C C4' DA 4 . . C 1 73.08 37.354 8.023 1 53.41 ? C4' DA 24 E 1 +ATOM 357 O O4' DA 4 . . C 1 72.543 38.61 8.503 1 55 ? O4' DA 24 E 1 +ATOM 358 C C3' DA 4 . . C 1 72.777 37.314 6.525 1 53.84 ? C3' DA 24 E 1 +ATOM 359 O O3' DA 4 . . C 1 72.005 36.138 6.223 1 55 ? O3' DA 24 E 1 +ATOM 360 C C2' DA 4 . . C 1 71.991 38.601 6.269 1 51.21 ? C2' DA 24 E 1 +ATOM 361 C C1' DA 4 . . C 1 71.495 39.001 7.641 1 53.09 ? C1' DA 24 E 1 +ATOM 362 N N9 DA 4 . . C 1 71.258 40.434 7.851 1 51.31 ? N9 DA 24 E 1 +ATOM 363 C C8 DA 4 . . C 1 71.943 41.479 7.286 1 50.95 ? C8 DA 24 E 1 +ATOM 364 N N7 DA 4 . . C 1 71.514 42.663 7.669 1 50.11 ? N7 DA 24 E 1 +ATOM 365 C C5 DA 4 . . C 1 70.476 42.382 8.549 1 49.64 ? C5 DA 24 E 1 +ATOM 366 C C6 DA 4 . . C 1 69.595 43.218 9.293 1 46.44 ? C6 DA 24 E 1 +ATOM 367 N N6 DA 4 . . C 1 69.656 44.541 9.291 1 45.03 ? N6 DA 24 E 1 +ATOM 368 N N1 DA 4 . . C 1 68.649 42.627 10.048 1 45.59 ? N1 DA 24 E 1 +ATOM 369 C C2 DA 4 . . C 1 68.59 41.29 10.062 1 47.74 ? C2 DA 24 E 1 +ATOM 370 N N3 DA 4 . . C 1 69.356 40.395 9.419 1 50.88 ? N3 DA 24 E 1 +ATOM 371 C C4 DA 4 . . C 1 70.296 41.013 8.669 1 52.45 ? C4 DA 24 E 1 +ATOM 372 P P DA 5 . . C 1 71.714 35.715 4.677 1 54.54 ? P DA 23 E 1 +ATOM 373 O OP1 DA 5 . . C 1 72.718 34.754 4.1 1 49.35 ? OP1 DA 23 E 1 +ATOM 374 O OP2 DA 5 . . C 1 71.403 36.956 3.919 1 55 ? OP2 DA 23 E 1 +ATOM 375 O O5' DA 5 . . C 1 70.316 34.963 4.838 1 55 ? O5' DA 23 E 1 +ATOM 376 C C5' DA 5 . . C 1 69.127 35.548 4.284 1 55 ? C5' DA 23 E 1 +ATOM 377 C C4' DA 5 . . C 1 68.169 35.984 5.37 1 55 ? C4' DA 23 E 1 +ATOM 378 O O4' DA 5 . . C 1 68.656 37.171 6.062 1 55 ? O4' DA 23 E 1 +ATOM 379 C C3' DA 5 . . C 1 66.821 36.393 4.764 1 55 ? C3' DA 23 E 1 +ATOM 380 O O3' DA 5 . . C 1 65.731 36.062 5.641 1 53.81 ? O3' DA 23 E 1 +ATOM 381 C C2' DA 5 . . C 1 66.94 37.894 4.704 1 51.47 ? C2' DA 23 E 1 +ATOM 382 C C1' DA 5 . . C 1 67.585 38.1 6.055 1 55 ? C1' DA 23 E 1 +ATOM 383 N N9 DA 5 . . C 1 68.118 39.441 6.145 1 52.72 ? N9 DA 23 E 1 +ATOM 384 C C8 DA 5 . . C 1 69.365 39.874 5.813 1 54.03 ? C8 DA 23 E 1 +ATOM 385 N N7 DA 5 . . C 1 69.536 41.161 5.982 1 53.57 ? N7 DA 23 E 1 +ATOM 386 C C5 DA 5 . . C 1 68.306 41.601 6.463 1 54.44 ? C5 DA 23 E 1 +ATOM 387 C C6 DA 5 . . C 1 67.842 42.879 6.823 1 53.98 ? C6 DA 23 E 1 +ATOM 388 N N6 DA 5 . . C 1 68.618 43.955 6.763 1 45.51 ? N6 DA 23 E 1 +ATOM 389 N N1 DA 5 . . C 1 66.557 43 7.249 1 53.5 ? N1 DA 23 E 1 +ATOM 390 C C2 DA 5 . . C 1 65.801 41.87 7.314 1 50.02 ? C2 DA 23 E 1 +ATOM 391 N N3 DA 5 . . C 1 66.139 40.608 7.005 1 47.55 ? N3 DA 23 E 1 +ATOM 392 C C4 DA 5 . . C 1 67.423 40.547 6.576 1 51.14 ? C4 DA 23 E 1 +ATOM 393 P P DA 6 . . C 1 64.302 35.689 5.007 1 53.92 ? P DA 22 E 1 +ATOM 394 O OP1 DA 6 . . C 1 63.736 34.474 5.679 1 49.17 ? OP1 DA 22 E 1 +ATOM 395 O OP2 DA 6 . . C 1 64.476 35.72 3.504 1 51.84 ? OP2 DA 22 E 1 +ATOM 396 O O5' DA 6 . . C 1 63.365 36.935 5.359 1 55 ? O5' DA 22 E 1 +ATOM 397 C C5' DA 6 . . C 1 63.127 37.367 6.715 1 46.95 ? C5' DA 22 E 1 +ATOM 398 C C4' DA 6 . . C 1 62.418 38.71 6.735 1 45.04 ? C4' DA 22 E 1 +ATOM 399 O O4' DA 6 . . C 1 63.347 39.798 6.439 1 47.43 ? O4' DA 22 E 1 +ATOM 400 C C3' DA 6 . . C 1 61.279 38.817 5.729 1 38.46 ? C3' DA 22 E 1 +ATOM 401 O O3' DA 6 . . C 1 60.065 39.212 6.372 1 38.57 ? O3' DA 22 E 1 +ATOM 402 C C2' DA 6 . . C 1 61.767 39.813 4.677 1 47.54 ? C2' DA 22 E 1 +ATOM 403 C C1' DA 6 . . C 1 62.889 40.611 5.347 1 47.32 ? C1' DA 22 E 1 +ATOM 404 N N9 DA 6 . . C 1 64.064 40.975 4.511 1 44.09 ? N9 DA 22 E 1 +ATOM 405 C C8 DA 6 . . C 1 64.814 40.206 3.639 1 43.81 ? C8 DA 22 E 1 +ATOM 406 N N7 DA 6 . . C 1 65.809 40.852 3.078 1 34.03 ? N7 DA 22 E 1 +ATOM 407 C C5 DA 6 . . C 1 65.714 42.126 3.599 1 35.7 ? C5 DA 22 E 1 +ATOM 408 C C6 DA 6 . . C 1 66.49 43.303 3.408 1 42.53 ? C6 DA 22 E 1 +ATOM 409 N N6 DA 6 . . C 1 67.561 43.378 2.626 1 31.47 ? N6 DA 22 E 1 +ATOM 410 N N1 DA 6 . . C 1 66.115 44.416 4.078 1 45.66 ? N1 DA 22 E 1 +ATOM 411 C C2 DA 6 . . C 1 65.041 44.339 4.896 1 49.43 ? C2 DA 22 E 1 +ATOM 412 N N3 DA 6 . . C 1 64.248 43.3 5.167 1 41.35 ? N3 DA 22 E 1 +ATOM 413 C C4 DA 6 . . C 1 64.64 42.221 4.48 1 42.45 ? C4 DA 22 E 1 +ATOM 414 P P DA 7 . . C 1 58.67 39.179 5.549 1 44.62 ? P DA 21 E 1 +ATOM 415 O OP1 DA 7 . . C 1 57.556 38.836 6.486 1 32.06 ? OP1 DA 21 E 1 +ATOM 416 O OP2 DA 7 . . C 1 58.857 38.382 4.286 1 46.37 ? OP2 DA 21 E 1 +ATOM 417 O O5' DA 7 . . C 1 58.475 40.712 5.107 1 42.28 ? O5' DA 21 E 1 +ATOM 418 C C5' DA 7 . . C 1 59.597 41.523 4.708 1 38.93 ? C5' DA 21 E 1 +ATOM 419 C C4' DA 7 . . C 1 59.318 42.993 4.955 1 41.83 ? C4' DA 21 E 1 +ATOM 420 O O4' DA 7 . . C 1 60.555 43.697 4.734 1 32.73 ? O4' DA 21 E 1 +ATOM 421 C C3' DA 7 . . C 1 58.295 43.629 3.997 1 41.75 ? C3' DA 21 E 1 +ATOM 422 O O3' DA 7 . . C 1 57.548 44.734 4.575 1 39.58 ? O3' DA 21 E 1 +ATOM 423 C C2' DA 7 . . C 1 59.157 44.133 2.869 1 39.3 ? C2' DA 21 E 1 +ATOM 424 C C1' DA 7 . . C 1 60.468 44.469 3.546 1 39.63 ? C1' DA 21 E 1 +ATOM 425 N N9 DA 7 . . C 1 61.565 44.068 2.695 1 38.52 ? N9 DA 21 E 1 +ATOM 426 C C8 DA 7 . . C 1 61.926 42.789 2.346 1 38.92 ? C8 DA 21 E 1 +ATOM 427 N N7 DA 7 . . C 1 62.978 42.73 1.564 1 43.3 ? N7 DA 21 E 1 +ATOM 428 C C5 DA 7 . . C 1 63.326 44.063 1.383 1 38.01 ? C5 DA 21 E 1 +ATOM 429 C C6 DA 7 . . C 1 64.335 44.671 0.64 1 38.24 ? C6 DA 21 E 1 +ATOM 430 N N6 DA 7 . . C 1 65.22 43.983 -0.069 1 37.92 ? N6 DA 21 E 1 +ATOM 431 N N1 DA 7 . . C 1 64.398 46.027 0.648 1 37.53 ? N1 DA 21 E 1 +ATOM 432 C C2 DA 7 . . C 1 63.49 46.703 1.367 1 42.33 ? C2 DA 21 E 1 +ATOM 433 N N3 DA 7 . . C 1 62.477 46.234 2.116 1 41.43 ? N3 DA 21 E 1 +ATOM 434 C C4 DA 7 . . C 1 62.456 44.894 2.077 1 41.22 ? C4 DA 21 E 1 +ATOM 435 P P DG 8 . . C 1 56.496 45.563 3.651 1 35.88 ? P DG 20 E 1 +ATOM 436 O OP1 DG 8 . . C 1 55.614 46.437 4.478 1 31.43 ? OP1 DG 20 E 1 +ATOM 437 O OP2 DG 8 . . C 1 55.882 44.663 2.625 1 35.43 ? OP2 DG 20 E 1 +ATOM 438 O O5' DG 8 . . C 1 57.478 46.525 2.901 1 29.98 ? O5' DG 20 E 1 +ATOM 439 C C5' DG 8 . . C 1 58.003 47.636 3.583 1 34.54 ? C5' DG 20 E 1 +ATOM 440 C C4' DG 8 . . C 1 58.814 48.442 2.615 1 33.02 ? C4' DG 20 E 1 +ATOM 441 O O4' DG 8 . . C 1 59.779 47.534 2.041 1 34.59 ? O4' DG 20 E 1 +ATOM 442 C C3' DG 8 . . C 1 58.001 48.962 1.445 1 28.18 ? C3' DG 20 E 1 +ATOM 443 O O3' DG 8 . . C 1 58.368 50.304 1.267 1 31.84 ? O3' DG 20 E 1 +ATOM 444 C C2' DG 8 . . C 1 58.427 48.09 0.274 1 24.01 ? C2' DG 20 E 1 +ATOM 445 C C1' DG 8 . . C 1 59.843 47.766 0.673 1 33.7 ? C1' DG 20 E 1 +ATOM 446 N N9 DG 8 . . C 1 60.511 46.625 0.038 1 39.7 ? N9 DG 20 E 1 +ATOM 447 C C8 DG 8 . . C 1 60.16 45.31 0.064 1 41.86 ? C8 DG 20 E 1 +ATOM 448 N N7 DG 8 . . C 1 60.971 44.562 -0.622 1 40.21 ? N7 DG 20 E 1 +ATOM 449 C C5 DG 8 . . C 1 61.912 45.439 -1.129 1 39.46 ? C5 DG 20 E 1 +ATOM 450 C C6 DG 8 . . C 1 63.023 45.219 -1.978 1 42.77 ? C6 DG 20 E 1 +ATOM 451 O O6 DG 8 . . C 1 63.435 44.136 -2.462 1 48.02 ? O6 DG 20 E 1 +ATOM 452 N N1 DG 8 . . C 1 63.694 46.413 -2.267 1 47.66 ? N1 DG 20 E 1 +ATOM 453 C C2 DG 8 . . C 1 63.346 47.647 -1.798 1 43.49 ? C2 DG 20 E 1 +ATOM 454 N N2 DG 8 . . C 1 64.09 48.708 -2.155 1 41.39 ? N2 DG 20 E 1 +ATOM 455 N N3 DG 8 . . C 1 62.322 47.846 -1.018 1 51.55 ? N3 DG 20 E 1 +ATOM 456 C C4 DG 8 . . C 1 61.65 46.708 -0.727 1 43.3 ? C4 DG 20 E 1 +ATOM 457 P P DT 9 . . C 1 57.518 51.213 0.287 1 37.34 ? P DT 19 E 1 +ATOM 458 O OP1 DT 9 . . C 1 57.389 52.564 0.903 1 34.68 ? OP1 DT 19 E 1 +ATOM 459 O OP2 DT 9 . . C 1 56.285 50.421 -0.01 1 32.52 ? OP2 DT 19 E 1 +ATOM 460 O O5' DT 9 . . C 1 58.517 51.354 -0.946 1 35.58 ? O5' DT 19 E 1 +ATOM 461 C C5' DT 9 . . C 1 59.918 51.272 -0.69 1 37.61 ? C5' DT 19 E 1 +ATOM 462 C C4' DT 9 . . C 1 60.731 51.616 -1.914 1 36.56 ? C4' DT 19 E 1 +ATOM 463 O O4' DT 9 . . C 1 61.488 50.495 -2.457 1 36.16 ? O4' DT 19 E 1 +ATOM 464 C C3' DT 9 . . C 1 59.941 52.19 -3.054 1 31.27 ? C3' DT 19 E 1 +ATOM 465 O O3' DT 9 . . C 1 60.782 53.199 -3.511 1 35.91 ? O3' DT 19 E 1 +ATOM 466 C C2' DT 9 . . C 1 59.875 51.04 -4.044 1 32.28 ? C2' DT 19 E 1 +ATOM 467 C C1' DT 9 . . C 1 61.204 50.309 -3.831 1 34.74 ? C1' DT 19 E 1 +ATOM 468 N N1 DT 9 . . C 1 61.139 48.823 -4.108 1 39.24 ? N1 DT 19 E 1 +ATOM 469 C C2 DT 9 . . C 1 62.056 48.231 -4.969 1 39.34 ? C2 DT 19 E 1 +ATOM 470 O O2 DT 9 . . C 1 62.968 48.836 -5.511 1 33.32 ? O2 DT 19 E 1 +ATOM 471 N N3 DT 9 . . C 1 61.864 46.875 -5.172 1 39.91 ? N3 DT 19 E 1 +ATOM 472 C C4 DT 9 . . C 1 60.905 46.074 -4.622 1 37.4 ? C4 DT 19 E 1 +ATOM 473 O O4 DT 9 . . C 1 60.866 44.887 -4.925 1 38.1 ? O4 DT 19 E 1 +ATOM 474 C C5 DT 9 . . C 1 59.999 46.742 -3.713 1 35.96 ? C5 DT 19 E 1 +ATOM 475 C C7 DT 9 . . C 1 58.931 45.956 -3.036 1 41.93 ? C7 DT 19 E 1 +ATOM 476 C C6 DT 9 . . C 1 60.158 48.058 -3.51 1 34.58 ? C6 DT 19 E 1 +ATOM 477 P P DG 10 . . C 1 60.27 54.206 -4.605 1 42.65 ? P DG 18 E 1 +ATOM 478 O OP1 DG 10 . . C 1 60.467 55.571 -4.029 1 41.97 ? OP1 DG 18 E 1 +ATOM 479 O OP2 DG 10 . . C 1 58.901 53.746 -4.944 1 47.76 ? OP2 DG 18 E 1 +ATOM 480 O O5' DG 10 . . C 1 61.246 53.943 -5.856 1 38.01 ? O5' DG 18 E 1 +ATOM 481 C C5' DG 10 . . C 1 62.638 54.19 -5.723 1 38.48 ? C5' DG 18 E 1 +ATOM 482 C C4' DG 10 . . C 1 63.356 54.187 -7.058 1 46.55 ? C4' DG 18 E 1 +ATOM 483 O O4' DG 10 . . C 1 63.45 52.866 -7.644 1 48.23 ? O4' DG 18 E 1 +ATOM 484 C C3' DG 10 . . C 1 62.878 55.078 -8.196 1 45.63 ? C3' DG 18 E 1 +ATOM 485 O O3' DG 10 . . C 1 64.092 55.339 -8.943 1 50.8 ? O3' DG 18 E 1 +ATOM 486 C C2' DG 10 . . C 1 61.938 54.136 -8.937 1 49.45 ? C2' DG 18 E 1 +ATOM 487 C C1' DG 10 . . C 1 62.673 52.795 -8.845 1 48.5 ? C1' DG 18 E 1 +ATOM 488 N N9 DG 10 . . C 1 61.814 51.654 -8.633 1 44.58 ? N9 DG 18 E 1 +ATOM 489 C C8 DG 10 . . C 1 60.501 51.661 -8.245 1 46.93 ? C8 DG 18 E 1 +ATOM 490 N N7 DG 10 . . C 1 60.013 50.466 -8.078 1 48.45 ? N7 DG 18 E 1 +ATOM 491 C C5 DG 10 . . C 1 61.073 49.631 -8.385 1 42.07 ? C5 DG 18 E 1 +ATOM 492 C C6 DG 10 . . C 1 61.136 48.247 -8.372 1 44.13 ? C6 DG 18 E 1 +ATOM 493 O O6 DG 10 . . C 1 60.232 47.444 -8.068 1 52.69 ? O6 DG 18 E 1 +ATOM 494 N N1 DG 10 . . C 1 62.394 47.786 -8.759 1 44.83 ? N1 DG 18 E 1 +ATOM 495 C C2 DG 10 . . C 1 63.453 48.598 -9.117 1 45.97 ? C2 DG 18 E 1 +ATOM 496 N N2 DG 10 . . C 1 64.607 47.959 -9.477 1 51.61 ? N2 DG 18 E 1 +ATOM 497 N N3 DG 10 . . C 1 63.39 49.917 -9.125 1 40.76 ? N3 DG 18 E 1 +ATOM 498 C C4 DG 10 . . C 1 62.179 50.356 -8.746 1 39.81 ? C4 DG 18 E 1 +ATOM 499 P P DT 11 . . C 1 64.052 55.714 -10.514 1 47.33 ? P DT 17 E 1 +ATOM 500 O OP1 DT 11 . . C 1 65.46 55.897 -10.979 1 48.13 ? OP1 DT 17 E 1 +ATOM 501 O OP2 DT 11 . . C 1 63.021 56.776 -10.74 1 44.36 ? OP2 DT 17 E 1 +ATOM 502 O O5' DT 11 . . C 1 63.54 54.442 -11.307 1 48.33 ? O5' DT 17 E 1 +ATOM 503 C C5' DT 11 . . C 1 63.404 54.526 -12.733 1 50.22 ? C5' DT 17 E 1 +ATOM 504 C C4' DT 11 . . C 1 64.334 53.542 -13.396 1 46.62 ? C4' DT 17 E 1 +ATOM 505 O O4' DT 11 . . C 1 64.194 52.341 -12.61 1 45.1 ? O4' DT 17 E 1 +ATOM 506 C C3' DT 11 . . C 1 64.002 53.192 -14.862 1 49.85 ? C3' DT 17 E 1 +ATOM 507 O O3' DT 11 . . C 1 65.184 53.012 -15.661 1 52.17 ? O3' DT 17 E 1 +ATOM 508 C C2' DT 11 . . C 1 63.278 51.86 -14.784 1 45.71 ? C2' DT 17 E 1 +ATOM 509 C C1' DT 11 . . C 1 63.541 51.335 -13.356 1 47.17 ? C1' DT 17 E 1 +ATOM 510 N N1 DT 11 . . C 1 62.264 50.996 -12.698 1 47.14 ? N1 DT 17 E 1 +ATOM 511 C C2 DT 11 . . C 1 62.1 49.681 -12.303 1 51.28 ? C2 DT 17 E 1 +ATOM 512 O O2 DT 11 . . C 1 63.003 48.825 -12.412 1 48.33 ? O2 DT 17 E 1 +ATOM 513 N N3 DT 11 . . C 1 60.846 49.399 -11.771 1 43.49 ? N3 DT 17 E 1 +ATOM 514 C C4 DT 11 . . C 1 59.774 50.291 -11.592 1 46.51 ? C4 DT 17 E 1 +ATOM 515 O O4 DT 11 . . C 1 58.658 49.863 -11.14 1 39.29 ? O4 DT 17 E 1 +ATOM 516 C C5 DT 11 . . C 1 60.068 51.671 -11.981 1 42.35 ? C5 DT 17 E 1 +ATOM 517 C C7 DT 11 . . C 1 59.032 52.728 -11.773 1 44.19 ? C7 DT 17 E 1 +ATOM 518 C C6 DT 11 . . C 1 61.268 51.94 -12.51 1 40.37 ? C6 DT 17 E 1 +ATOM 519 P P DG 12 . . C 1 66.107 54.281 -16.042 1 55 ? P DG 16 E 1 +ATOM 520 O OP1 DG 12 . . C 1 67.342 53.808 -16.739 1 53.75 ? OP1 DG 16 E 1 +ATOM 521 O OP2 DG 12 . . C 1 66.211 55.25 -14.921 1 48.58 ? OP2 DG 16 E 1 +ATOM 522 O O5' DG 12 . . C 1 65.2 55.084 -17.037 1 49.31 ? O5' DG 16 E 1 +ATOM 523 C C5' DG 12 . . C 1 63.824 54.899 -16.964 1 46.94 ? C5' DG 16 E 1 +ATOM 524 C C4' DG 12 . . C 1 63.473 53.775 -17.889 1 47.78 ? C4' DG 16 E 1 +ATOM 525 O O4' DG 12 . . C 1 62.696 52.796 -17.186 1 46.1 ? O4' DG 16 E 1 +ATOM 526 C C3' DG 12 . . C 1 62.662 54.272 -19.081 1 47.58 ? C3' DG 16 E 1 +ATOM 527 O O3' DG 12 . . C 1 63.271 53.787 -20.284 1 51.79 ? O3' DG 16 E 1 +ATOM 528 C C2' DG 12 . . C 1 61.261 53.74 -18.844 1 38.47 ? C2' DG 16 E 1 +ATOM 529 C C1' DG 12 . . C 1 61.452 52.636 -17.824 1 45.43 ? C1' DG 16 E 1 +ATOM 530 N N9 DG 12 . . C 1 60.446 52.622 -16.785 1 42.31 ? N9 DG 16 E 1 +ATOM 531 C C8 DG 12 . . C 1 59.905 53.658 -16.07 1 40.73 ? C8 DG 16 E 1 +ATOM 532 N N7 DG 12 . . C 1 59.002 53.254 -15.207 1 48.69 ? N7 DG 16 E 1 +ATOM 533 C C5 DG 12 . . C 1 58.967 51.862 -15.384 1 49.32 ? C5 DG 16 E 1 +ATOM 534 C C6 DG 12 . . C 1 58.199 50.811 -14.717 1 48.44 ? C6 DG 16 E 1 +ATOM 535 O O6 DG 12 . . C 1 57.352 50.905 -13.824 1 55 ? O6 DG 16 E 1 +ATOM 536 N N1 DG 12 . . C 1 58.528 49.552 -15.211 1 42.76 ? N1 DG 16 E 1 +ATOM 537 C C2 DG 12 . . C 1 59.468 49.308 -16.187 1 45.9 ? C2 DG 16 E 1 +ATOM 538 N N2 DG 12 . . C 1 59.707 47.991 -16.545 1 48.7 ? N2 DG 16 E 1 +ATOM 539 N N3 DG 12 . . C 1 60.156 50.259 -16.794 1 44.2 ? N3 DG 16 E 1 +ATOM 540 C C4 DG 12 . . C 1 59.858 51.484 -16.35 1 46.58 ? C4 DG 16 E 1 +ATOM 541 P P DA 13 . . C 1 63.219 54.667 -21.63 1 48.78 ? P DA 15 E 1 +ATOM 542 O OP1 DA 13 . . C 1 64.491 54.334 -22.319 1 49.49 ? OP1 DA 15 E 1 +ATOM 543 O OP2 DA 13 . . C 1 62.9 56.072 -21.368 1 47.04 ? OP2 DA 15 E 1 +ATOM 544 O O5' DA 13 . . C 1 62.003 53.956 -22.388 1 50.35 ? O5' DA 15 E 1 +ATOM 545 C C5' DA 13 . . C 1 62.193 52.587 -22.847 1 55 ? C5' DA 15 E 1 +ATOM 546 C C4' DA 13 . . C 1 60.884 51.882 -23.146 1 54.07 ? C4' DA 15 E 1 +ATOM 547 O O4' DA 13 . . C 1 60.057 51.856 -21.951 1 55 ? O4' DA 15 E 1 +ATOM 548 C C3' DA 13 . . C 1 60.03 52.506 -24.249 1 55 ? C3' DA 15 E 1 +ATOM 549 O O3' DA 13 . . C 1 59.366 51.441 -24.985 1 54.15 ? O3' DA 15 E 1 +ATOM 550 C C2' DA 13 . . C 1 59.06 53.372 -23.439 1 55 ? C2' DA 15 E 1 +ATOM 551 C C1' DA 13 . . C 1 58.828 52.537 -22.177 1 55 ? C1' DA 15 E 1 +ATOM 552 N N9 DA 13 . . C 1 58.442 53.214 -20.916 1 55 ? N9 DA 15 E 1 +ATOM 553 C C8 DA 13 . . C 1 58.819 54.415 -20.354 1 55 ? C8 DA 15 E 1 +ATOM 554 N N7 DA 13 . . C 1 58.245 54.659 -19.183 1 55 ? N7 DA 15 E 1 +ATOM 555 C C5 DA 13 . . C 1 57.441 53.549 -18.966 1 55 ? C5 DA 15 E 1 +ATOM 556 C C6 DA 13 . . C 1 56.567 53.166 -17.897 1 55 ? C6 DA 15 E 1 +ATOM 557 N N6 DA 13 . . C 1 56.336 53.876 -16.772 1 55 ? N6 DA 15 E 1 +ATOM 558 N N1 DA 13 . . C 1 55.919 51.984 -18.024 1 51.06 ? N1 DA 15 E 1 +ATOM 559 C C2 DA 13 . . C 1 56.134 51.243 -19.125 1 52.9 ? C2 DA 15 E 1 +ATOM 560 N N3 DA 13 . . C 1 56.918 51.484 -20.17 1 54.93 ? N3 DA 15 E 1 +ATOM 561 C C4 DA 13 . . C 1 57.548 52.658 -20.028 1 55 ? C4 DA 15 E 1 +ATOM 562 P P DC 14 . . C 1 59.195 51.524 -26.604 1 55 ? P DC 14 E 1 +ATOM 563 O OP1 DC 14 . . C 1 60.535 51.396 -27.248 1 55 ? OP1 DC 14 E 1 +ATOM 564 O OP2 DC 14 . . C 1 58.305 52.667 -26.991 1 47.13 ? OP2 DC 14 E 1 +ATOM 565 O O5' DC 14 . . C 1 58.337 50.217 -26.93 1 55 ? O5' DC 14 E 1 +ATOM 566 C C5' DC 14 . . C 1 56.944 50.331 -27.221 1 55 ? C5' DC 14 E 1 +ATOM 567 C C4' DC 14 . . C 1 56.087 49.951 -26.023 1 55 ? C4' DC 14 E 1 +ATOM 568 O O4' DC 14 . . C 1 56.365 50.736 -24.811 1 55 ? O4' DC 14 E 1 +ATOM 569 C C3' DC 14 . . C 1 54.592 50.189 -26.301 1 55 ? C3' DC 14 E 1 +ATOM 570 O O3' DC 14 . . C 1 53.817 49.077 -26.83 1 55 ? O3' DC 14 E 1 +ATOM 571 C C2' DC 14 . . C 1 54.029 50.72 -24.984 1 55 ? C2' DC 14 E 1 +ATOM 572 C C1' DC 14 . . C 1 55.192 50.605 -23.992 1 55 ? C1' DC 14 E 1 +ATOM 573 N N1 DC 14 . . C 1 55.148 51.659 -22.944 1 55 ? N1 DC 14 E 1 +ATOM 574 C C2 DC 14 . . C 1 54.368 51.408 -21.78 1 52.47 ? C2 DC 14 E 1 +ATOM 575 O O2 DC 14 . . C 1 53.796 50.317 -21.678 1 52.63 ? O2 DC 14 E 1 +ATOM 576 N N3 DC 14 . . C 1 54.268 52.375 -20.795 1 55 ? N3 DC 14 E 1 +ATOM 577 C C4 DC 14 . . C 1 54.927 53.543 -20.939 1 55 ? C4 DC 14 E 1 +ATOM 578 N N4 DC 14 . . C 1 54.818 54.47 -19.936 1 54.4 ? N4 DC 14 E 1 +ATOM 579 C C5 DC 14 . . C 1 55.733 53.817 -22.108 1 52.28 ? C5 DC 14 E 1 +ATOM 580 C C6 DC 14 . . C 1 55.815 52.856 -23.074 1 51.39 ? C6 DC 14 E 1 +ATOM 581 O O5' DA 1 . . B 2 47.624 63.612 -28.26 1 40.15 ? O5' DA 10 D 1 +ATOM 582 C C5' DA 1 . . B 2 47.713 64.975 -27.773 1 41.23 ? C5' DA 10 D 1 +ATOM 583 C C4' DA 1 . . B 2 46.511 65.414 -26.963 1 41.91 ? C4' DA 10 D 1 +ATOM 584 O O4' DA 1 . . B 2 45.415 64.503 -27.278 1 34.07 ? O4' DA 10 D 1 +ATOM 585 C C3' DA 1 . . B 2 46.73 65.371 -25.439 1 41.1 ? C3' DA 10 D 1 +ATOM 586 O O3' DA 1 . . B 2 46.21 66.592 -24.792 1 47.1 ? O3' DA 10 D 1 +ATOM 587 C C2' DA 1 . . B 2 45.982 64.101 -25.023 1 41.97 ? C2' DA 10 D 1 +ATOM 588 C C1' DA 1 . . B 2 44.923 63.855 -26.101 1 38.41 ? C1' DA 10 D 1 +ATOM 589 N N9 DA 1 . . B 2 44.675 62.435 -26.414 1 38.72 ? N9 DA 10 D 1 +ATOM 590 C C8 DA 1 . . B 2 45.173 61.679 -27.472 1 40.02 ? C8 DA 10 D 1 +ATOM 591 N N7 DA 1 . . B 2 44.754 60.422 -27.482 1 39.04 ? N7 DA 10 D 1 +ATOM 592 C C5 DA 1 . . B 2 43.933 60.329 -26.356 1 40.81 ? C5 DA 10 D 1 +ATOM 593 C C6 DA 1 . . B 2 43.157 59.246 -25.793 1 40.05 ? C6 DA 10 D 1 +ATOM 594 N N6 DA 1 . . B 2 43.119 58.008 -26.271 1 40.66 ? N6 DA 10 D 1 +ATOM 595 N N1 DA 1 . . B 2 42.421 59.506 -24.697 1 40.43 ? N1 DA 10 D 1 +ATOM 596 C C2 DA 1 . . B 2 42.46 60.76 -24.175 1 41.52 ? C2 DA 10 D 1 +ATOM 597 N N3 DA 1 . . B 2 43.15 61.851 -24.587 1 42.57 ? N3 DA 10 D 1 +ATOM 598 C C4 DA 1 . . B 2 43.872 61.57 -25.689 1 42.7 ? C4 DA 10 D 1 +ATOM 599 P P DT 2 . . B 2 46.893 67.211 -23.404 1 55 ? P DT 11 D 1 +ATOM 600 O OP1 DT 2 . . B 2 46.017 68.337 -22.865 1 42.8 ? OP1 DT 11 D 1 +ATOM 601 O OP2 DT 2 . . B 2 48.38 67.461 -23.583 1 51.84 ? OP2 DT 11 D 1 +ATOM 602 O O5' DT 2 . . B 2 46.747 66.066 -22.299 1 53.94 ? O5' DT 11 D 1 +ATOM 603 C C5' DT 2 . . B 2 45.46 65.552 -21.952 1 52.33 ? C5' DT 11 D 1 +ATOM 604 C C4' DT 2 . . B 2 45.559 64.731 -20.697 1 44.09 ? C4' DT 11 D 1 +ATOM 605 O O4' DT 2 . . B 2 45.421 63.329 -20.962 1 45.97 ? O4' DT 11 D 1 +ATOM 606 C C3' DT 2 . . B 2 46.866 64.88 -19.959 1 46.39 ? C3' DT 11 D 1 +ATOM 607 O O3' DT 2 . . B 2 46.407 64.961 -18.616 1 41.22 ? O3' DT 11 D 1 +ATOM 608 C C2' DT 2 . . B 2 47.68 63.644 -20.388 1 40.78 ? C2' DT 11 D 1 +ATOM 609 C C1' DT 2 . . B 2 46.633 62.582 -20.733 1 43.45 ? C1' DT 11 D 1 +ATOM 610 N N1 DT 2 . . B 2 46.771 61.687 -21.943 1 38.73 ? N1 DT 11 D 1 +ATOM 611 C C2 DT 2 . . B 2 45.775 60.732 -22.043 1 40.38 ? C2 DT 11 D 1 +ATOM 612 O O2 DT 2 . . B 2 44.912 60.601 -21.21 1 45.18 ? O2 DT 11 D 1 +ATOM 613 N N3 DT 2 . . B 2 45.812 59.921 -23.163 1 44.88 ? N3 DT 11 D 1 +ATOM 614 C C4 DT 2 . . B 2 46.732 59.959 -24.189 1 48.9 ? C4 DT 11 D 1 +ATOM 615 O O4 DT 2 . . B 2 46.609 59.153 -25.135 1 51.75 ? O4 DT 11 D 1 +ATOM 616 C C5 DT 2 . . B 2 47.782 60.975 -24.031 1 50.82 ? C5 DT 11 D 1 +ATOM 617 C C7 DT 2 . . B 2 48.832 61.097 -25.085 1 46.89 ? C7 DT 11 D 1 +ATOM 618 C C6 DT 2 . . B 2 47.752 61.775 -22.92 1 48.86 ? C6 DT 11 D 1 +ATOM 619 P P DA 3 . . B 2 47.427 65.166 -17.409 1 44.05 ? P DA 12 D 1 +ATOM 620 O OP1 DA 3 . . B 2 46.773 66.296 -16.675 1 51.19 ? OP1 DA 12 D 1 +ATOM 621 O OP2 DA 3 . . B 2 48.846 65.29 -17.819 1 39.32 ? OP2 DA 12 D 1 +ATOM 622 O O5' DA 3 . . B 2 47.222 63.798 -16.631 1 41.66 ? O5' DA 12 D 1 +ATOM 623 C C5' DA 3 . . B 2 45.897 63.395 -16.308 1 42.93 ? C5' DA 12 D 1 +ATOM 624 C C4' DA 3 . . B 2 45.846 61.943 -15.907 1 40.3 ? C4' DA 12 D 1 +ATOM 625 O O4' DA 3 . . B 2 46.015 61.104 -17.065 1 38.86 ? O4' DA 12 D 1 +ATOM 626 C C3' DA 3 . . B 2 46.886 61.483 -14.878 1 36.09 ? C3' DA 12 D 1 +ATOM 627 O O3' DA 3 . . B 2 46.159 60.565 -14.029 1 39.85 ? O3' DA 12 D 1 +ATOM 628 C C2' DA 3 . . B 2 47.912 60.794 -15.755 1 29.38 ? C2' DA 12 D 1 +ATOM 629 C C1' DA 3 . . B 2 46.982 60.146 -16.754 1 33.47 ? C1' DA 12 D 1 +ATOM 630 N N9 DA 3 . . B 2 47.602 59.72 -17.989 1 37.85 ? N9 DA 12 D 1 +ATOM 631 C C8 DA 3 . . B 2 48.522 60.341 -18.785 1 43.89 ? C8 DA 12 D 1 +ATOM 632 N N7 DA 3 . . B 2 48.875 59.629 -19.823 1 41.94 ? N7 DA 12 D 1 +ATOM 633 C C5 DA 3 . . B 2 48.122 58.462 -19.688 1 44.73 ? C5 DA 12 D 1 +ATOM 634 C C6 DA 3 . . B 2 48.045 57.276 -20.442 1 50.44 ? C6 DA 12 D 1 +ATOM 635 N N6 DA 3 . . B 2 48.771 57.045 -21.548 1 55 ? N6 DA 12 D 1 +ATOM 636 N N1 DA 3 . . B 2 47.195 56.316 -20.021 1 43.24 ? N1 DA 12 D 1 +ATOM 637 C C2 DA 3 . . B 2 46.503 56.525 -18.937 1 46.08 ? C2 DA 12 D 1 +ATOM 638 N N3 DA 3 . . B 2 46.498 57.577 -18.141 1 48.18 ? N3 DA 12 D 1 +ATOM 639 C C4 DA 3 . . B 2 47.339 58.519 -18.579 1 37.62 ? C4 DA 12 D 1 +ATOM 640 P P DT 4 . . B 2 46.63 60.215 -12.517 1 37.63 ? P DT 13 D 1 +ATOM 641 O OP1 DT 4 . . B 2 45.32 60.118 -11.796 1 40.97 ? OP1 DT 13 D 1 +ATOM 642 O OP2 DT 4 . . B 2 47.701 61.144 -11.966 1 22.15 ? OP2 DT 13 D 1 +ATOM 643 O O5' DT 4 . . B 2 47.057 58.681 -12.665 1 29.87 ? O5' DT 13 D 1 +ATOM 644 C C5' DT 4 . . B 2 46.044 57.752 -13.089 1 23.04 ? C5' DT 13 D 1 +ATOM 645 C C4' DT 4 . . B 2 46.589 56.352 -13.196 1 33.54 ? C4' DT 13 D 1 +ATOM 646 O O4' DT 4 . . B 2 46.901 56.124 -14.582 1 27.11 ? O4' DT 13 D 1 +ATOM 647 C C3' DT 4 . . B 2 47.851 56.097 -12.374 1 31.73 ? C3' DT 13 D 1 +ATOM 648 O O3' DT 4 . . B 2 47.609 55.118 -11.307 1 32.77 ? O3' DT 13 D 1 +ATOM 649 C C2' DT 4 . . B 2 48.917 55.748 -13.394 1 26.91 ? C2' DT 13 D 1 +ATOM 650 C C1' DT 4 . . B 2 48.162 55.533 -14.709 1 37.09 ? C1' DT 13 D 1 +ATOM 651 N N1 DT 4 . . B 2 48.866 56.08 -15.935 1 37.48 ? N1 DT 13 D 1 +ATOM 652 C C2 DT 4 . . B 2 48.681 55.389 -17.089 1 36.31 ? C2 DT 13 D 1 +ATOM 653 O O2 DT 4 . . B 2 47.917 54.437 -17.143 1 29.73 ? O2 DT 13 D 1 +ATOM 654 N N3 DT 4 . . B 2 49.412 55.865 -18.187 1 39.84 ? N3 DT 13 D 1 +ATOM 655 C C4 DT 4 . . B 2 50.278 56.982 -18.213 1 33.61 ? C4 DT 13 D 1 +ATOM 656 O O4 DT 4 . . B 2 50.897 57.29 -19.284 1 29.75 ? O4 DT 13 D 1 +ATOM 657 C C5 DT 4 . . B 2 50.371 57.686 -16.944 1 32.94 ? C5 DT 13 D 1 +ATOM 658 C C7 DT 4 . . B 2 51.219 58.911 -16.841 1 30.73 ? C7 DT 13 D 1 +ATOM 659 C C6 DT 4 . . B 2 49.678 57.204 -15.897 1 32.29 ? C6 DT 13 D 1 +ATOM 660 P P DG 5 . . B 2 48.141 53.58 -11.406 1 34.52 ? P DG 14 D 1 +ATOM 661 O OP1 DG 5 . . B 2 47.664 52.986 -10.144 1 43.03 ? OP1 DG 14 D 1 +ATOM 662 O OP2 DG 5 . . B 2 49.567 53.367 -11.832 1 34.75 ? OP2 DG 14 D 1 +ATOM 663 O O5' DG 5 . . B 2 47.186 52.961 -12.492 1 34.22 ? O5' DG 14 D 1 +ATOM 664 C C5' DG 5 . . B 2 46.685 51.656 -12.361 1 20.6 ? C5' DG 14 D 1 +ATOM 665 C C4' DG 5 . . B 2 47.259 50.79 -13.454 1 33.01 ? C4' DG 14 D 1 +ATOM 666 O O4' DG 5 . . B 2 47.979 51.564 -14.462 1 35.41 ? O4' DG 14 D 1 +ATOM 667 C C3' DG 5 . . B 2 48.234 49.764 -12.908 1 29.23 ? C3' DG 14 D 1 +ATOM 668 O O3' DG 5 . . B 2 47.763 48.513 -13.393 1 35.76 ? O3' DG 14 D 1 +ATOM 669 C C2' DG 5 . . B 2 49.564 50.178 -13.524 1 25.97 ? C2' DG 14 D 1 +ATOM 670 C C1' DG 5 . . B 2 49.192 50.926 -14.789 1 28.17 ? C1' DG 14 D 1 +ATOM 671 N N9 DG 5 . . B 2 50.184 51.952 -15.1 1 34.28 ? N9 DG 14 D 1 +ATOM 672 C C8 DG 5 . . B 2 50.616 52.906 -14.226 1 34.34 ? C8 DG 14 D 1 +ATOM 673 N N7 DG 5 . . B 2 51.52 53.693 -14.74 1 39.87 ? N7 DG 14 D 1 +ATOM 674 C C5 DG 5 . . B 2 51.701 53.232 -16.042 1 35.52 ? C5 DG 14 D 1 +ATOM 675 C C6 DG 5 . . B 2 52.591 53.677 -17.075 1 39.91 ? C6 DG 14 D 1 +ATOM 676 O O6 DG 5 . . B 2 53.418 54.608 -17.053 1 55 ? O6 DG 14 D 1 +ATOM 677 N N1 DG 5 . . B 2 52.481 52.928 -18.241 1 39.09 ? N1 DG 14 D 1 +ATOM 678 C C2 DG 5 . . B 2 51.646 51.909 -18.417 1 44.38 ? C2 DG 14 D 1 +ATOM 679 N N2 DG 5 . . B 2 51.727 51.366 -19.66 1 29.85 ? N2 DG 14 D 1 +ATOM 680 N N3 DG 5 . . B 2 50.8 51.453 -17.458 1 45.72 ? N3 DG 14 D 1 +ATOM 681 C C4 DG 5 . . B 2 50.888 52.17 -16.3 1 35.9 ? C4 DG 14 D 1 +ATOM 682 P P DT 6 . . B 2 48.194 47.114 -12.7 1 35.88 ? P DT 15 D 1 +ATOM 683 O OP1 DT 6 . . B 2 46.932 46.335 -12.89 1 37.64 ? OP1 DT 15 D 1 +ATOM 684 O OP2 DT 6 . . B 2 48.824 47.131 -11.354 1 25.79 ? OP2 DT 15 D 1 +ATOM 685 O O5' DT 6 . . B 2 49.325 46.567 -13.699 1 32.23 ? O5' DT 15 D 1 +ATOM 686 C C5' DT 6 . . B 2 49.189 46.644 -15.134 1 31.46 ? C5' DT 15 D 1 +ATOM 687 C C4' DT 6 . . B 2 50.328 45.904 -15.799 1 34.61 ? C4' DT 15 D 1 +ATOM 688 O O4' DT 6 . . B 2 51.295 46.824 -16.398 1 25.68 ? O4' DT 15 D 1 +ATOM 689 C C3' DT 6 . . B 2 51.103 45.072 -14.788 1 31.64 ? C3' DT 15 D 1 +ATOM 690 O O3' DT 6 . . B 2 51.522 43.854 -15.422 1 40.68 ? O3' DT 15 D 1 +ATOM 691 C C2' DT 6 . . B 2 52.257 45.992 -14.432 1 32.75 ? C2' DT 15 D 1 +ATOM 692 C C1' DT 6 . . B 2 52.526 46.775 -15.722 1 28.85 ? C1' DT 15 D 1 +ATOM 693 N N1 DT 6 . . B 2 53.037 48.171 -15.524 1 30.96 ? N1 DT 15 D 1 +ATOM 694 C C2 DT 6 . . B 2 53.943 48.681 -16.421 1 32.87 ? C2 DT 15 D 1 +ATOM 695 O O2 DT 6 . . B 2 54.319 48.061 -17.399 1 35.12 ? O2 DT 15 D 1 +ATOM 696 N N3 DT 6 . . B 2 54.391 49.968 -16.132 1 30.06 ? N3 DT 15 D 1 +ATOM 697 C C4 DT 6 . . B 2 54 50.779 -15.053 1 34.39 ? C4 DT 15 D 1 +ATOM 698 O O4 DT 6 . . B 2 54.48 51.93 -14.885 1 32.34 ? O4 DT 15 D 1 +ATOM 699 C C5 DT 6 . . B 2 53.046 50.202 -14.198 1 29.25 ? C5 DT 15 D 1 +ATOM 700 C C7 DT 6 . . B 2 52.557 51.028 -13.072 1 23.55 ? C7 DT 15 D 1 +ATOM 701 C C6 DT 6 . . B 2 52.619 48.941 -14.45 1 36.88 ? C6 DT 15 D 1 +ATOM 702 P P DC 7 . . B 2 51.886 42.548 -14.537 1 47.56 ? P DC 16 D 1 +ATOM 703 O OP1 DC 7 . . B 2 50.93 41.546 -15.049 1 52.01 ? OP1 DC 16 D 1 +ATOM 704 O OP2 DC 7 . . B 2 51.911 42.85 -13.066 1 39.57 ? OP2 DC 16 D 1 +ATOM 705 O O5' DC 7 . . B 2 53.354 42.173 -15.069 1 43.85 ? O5' DC 16 D 1 +ATOM 706 C C5' DC 7 . . B 2 53.968 43.038 -16.048 1 45.5 ? C5' DC 16 D 1 +ATOM 707 C C4' DC 7 . . B 2 55.329 42.566 -16.521 1 41.4 ? C4' DC 16 D 1 +ATOM 708 O O4' DC 7 . . B 2 55.842 43.779 -17.142 1 40.11 ? O4' DC 16 D 1 +ATOM 709 C C3' DC 7 . . B 2 56.379 42.159 -15.469 1 42.83 ? C3' DC 16 D 1 +ATOM 710 O O3' DC 7 . . B 2 56.617 40.705 -15.443 1 50.5 ? O3' DC 16 D 1 +ATOM 711 C C2' DC 7 . . B 2 57.626 42.945 -15.872 1 43.83 ? C2' DC 16 D 1 +ATOM 712 C C1' DC 7 . . B 2 57.063 44.199 -16.542 1 43.62 ? C1' DC 16 D 1 +ATOM 713 N N1 DC 7 . . B 2 56.781 45.377 -15.651 1 48.11 ? N1 DC 16 D 1 +ATOM 714 C C2 DC 7 . . B 2 56.961 46.695 -16.157 1 49.75 ? C2 DC 16 D 1 +ATOM 715 O O2 DC 7 . . B 2 57.343 46.843 -17.334 1 52.85 ? O2 DC 16 D 1 +ATOM 716 N N3 DC 7 . . B 2 56.705 47.765 -15.344 1 47.43 ? N3 DC 16 D 1 +ATOM 717 C C4 DC 7 . . B 2 56.288 47.569 -14.094 1 47.79 ? C4 DC 16 D 1 +ATOM 718 N N4 DC 7 . . B 2 56.049 48.633 -13.353 1 48.62 ? N4 DC 16 D 1 +ATOM 719 C C5 DC 7 . . B 2 56.097 46.262 -13.551 1 48.58 ? C5 DC 16 D 1 +ATOM 720 C C6 DC 7 . . B 2 56.351 45.207 -14.352 1 47.19 ? C6 DC 16 D 1 +ATOM 721 P P DA 8 . . B 2 57.265 39.99 -14.116 1 50.88 ? P DA 17 D 1 +ATOM 722 O OP1 DA 8 . . B 2 57.14 38.503 -14.12 1 52.42 ? OP1 DA 17 D 1 +ATOM 723 O OP2 DA 8 . . B 2 56.8 40.755 -12.911 1 53.33 ? OP2 DA 17 D 1 +ATOM 724 O O5' DA 8 . . B 2 58.823 40.25 -14.254 1 47.97 ? O5' DA 17 D 1 +ATOM 725 C C5' DA 8 . . B 2 59.486 40.108 -15.506 1 50.6 ? C5' DA 17 D 1 +ATOM 726 C C4' DA 8 . . B 2 60.971 40.244 -15.279 1 54.94 ? C4' DA 17 D 1 +ATOM 727 O O4' DA 8 . . B 2 61.309 41.644 -15.121 1 53.71 ? O4' DA 17 D 1 +ATOM 728 C C3' DA 8 . . B 2 61.36 39.544 -13.981 1 51.07 ? C3' DA 17 D 1 +ATOM 729 O O3' DA 8 . . B 2 62.073 38.361 -14.358 1 55 ? O3' DA 17 D 1 +ATOM 730 C C2' DA 8 . . B 2 62.175 40.569 -13.204 1 47.55 ? C2' DA 17 D 1 +ATOM 731 C C1' DA 8 . . B 2 61.807 41.915 -13.816 1 50.35 ? C1' DA 17 D 1 +ATOM 732 N N9 DA 8 . . B 2 60.813 42.765 -13.133 1 53.31 ? N9 DA 17 D 1 +ATOM 733 C C8 DA 8 . . B 2 59.602 42.451 -12.564 1 51.71 ? C8 DA 17 D 1 +ATOM 734 N N7 DA 8 . . B 2 58.974 43.49 -12.051 1 48.2 ? N7 DA 17 D 1 +ATOM 735 C C5 DA 8 . . B 2 59.828 44.558 -12.296 1 49.79 ? C5 DA 17 D 1 +ATOM 736 C C6 DA 8 . . B 2 59.745 45.973 -12.026 1 48.14 ? C6 DA 17 D 1 +ATOM 737 N N6 DA 8 . . B 2 58.717 46.617 -11.406 1 53.16 ? N6 DA 17 D 1 +ATOM 738 N N1 DA 8 . . B 2 60.784 46.73 -12.432 1 50.75 ? N1 DA 17 D 1 +ATOM 739 C C2 DA 8 . . B 2 61.818 46.14 -13.058 1 55 ? C2 DA 17 D 1 +ATOM 740 N N3 DA 8 . . B 2 62.003 44.864 -13.366 1 55 ? N3 DA 17 D 1 +ATOM 741 C C4 DA 8 . . B 2 60.967 44.12 -12.956 1 53.56 ? C4 DA 17 D 1 +ATOM 742 P P DC 9 . . B 2 62.881 37.531 -13.257 1 55 ? P DC 18 D 1 +ATOM 743 O OP1 DC 9 . . B 2 63.806 36.569 -13.918 1 55 ? OP1 DC 18 D 1 +ATOM 744 O OP2 DC 9 . . B 2 61.792 37.023 -12.363 1 55 ? OP2 DC 18 D 1 +ATOM 745 O O5' DC 9 . . B 2 63.725 38.668 -12.481 1 55 ? O5' DC 18 D 1 +ATOM 746 C C5' DC 9 . . B 2 64.72 39.484 -13.16 1 55 ? C5' DC 18 D 1 +ATOM 747 C C4' DC 9 . . B 2 65.301 40.571 -12.257 1 55 ? C4' DC 18 D 1 +ATOM 748 O O4' DC 9 . . B 2 64.345 41.579 -11.831 1 55 ? O4' DC 18 D 1 +ATOM 749 C C3' DC 9 . . B 2 66.076 40.169 -10.994 1 55 ? C3' DC 18 D 1 +ATOM 750 O O3' DC 9 . . B 2 67.376 40.771 -11.129 1 55 ? O3' DC 18 D 1 +ATOM 751 C C2' DC 9 . . B 2 65.303 40.845 -9.857 1 51.99 ? C2' DC 18 D 1 +ATOM 752 C C1' DC 9 . . B 2 64.743 42.076 -10.55 1 55 ? C1' DC 18 D 1 +ATOM 753 N N1 DC 9 . . B 2 63.562 42.707 -9.91 1 55 ? N1 DC 18 D 1 +ATOM 754 C C2 DC 9 . . B 2 63.568 44.106 -9.608 1 51.8 ? C2 DC 18 D 1 +ATOM 755 O O2 DC 9 . . B 2 64.563 44.8 -9.87 1 52.18 ? O2 DC 18 D 1 +ATOM 756 N N3 DC 9 . . B 2 62.487 44.665 -9.035 1 49.03 ? N3 DC 18 D 1 +ATOM 757 C C4 DC 9 . . B 2 61.425 43.911 -8.75 1 55 ? C4 DC 18 D 1 +ATOM 758 N N4 DC 9 . . B 2 60.38 44.507 -8.169 1 55 ? N4 DC 18 D 1 +ATOM 759 C C5 DC 9 . . B 2 61.388 42.509 -9.043 1 54.12 ? C5 DC 18 D 1 +ATOM 760 C C6 DC 9 . . B 2 62.465 41.955 -9.613 1 53.62 ? C6 DC 18 D 1 +ATOM 761 P P DA 10 . . B 2 68.687 40.114 -10.431 1 55 ? P DA 19 D 1 +ATOM 762 O OP1 DA 10 . . B 2 69.5 39.617 -11.583 1 55 ? OP1 DA 19 D 1 +ATOM 763 O OP2 DA 10 . . B 2 68.295 39.146 -9.339 1 55 ? OP2 DA 19 D 1 +ATOM 764 O O5' DA 10 . . B 2 69.436 41.395 -9.753 1 55 ? O5' DA 19 D 1 +ATOM 765 C C5' DA 10 . . B 2 70.018 42.508 -10.539 1 55 ? C5' DA 19 D 1 +ATOM 766 C C4' DA 10 . . B 2 70.291 43.743 -9.682 1 51.18 ? C4' DA 19 D 1 +ATOM 767 O O4' DA 10 . . B 2 69.052 44.281 -9.155 1 50.47 ? O4' DA 19 D 1 +ATOM 768 C C3' DA 10 . . B 2 71.18 43.592 -8.442 1 53.79 ? C3' DA 19 D 1 +ATOM 769 O O3' DA 10 . . B 2 71.855 44.86 -8.195 1 50.52 ? O3' DA 19 D 1 +ATOM 770 C C2' DA 10 . . B 2 70.168 43.222 -7.356 1 45.35 ? C2' DA 19 D 1 +ATOM 771 C C1' DA 10 . . B 2 68.963 44.086 -7.718 1 47.95 ? C1' DA 19 D 1 +ATOM 772 N N9 DA 10 . . B 2 67.6 43.579 -7.403 1 47.99 ? N9 DA 19 D 1 +ATOM 773 C C8 DA 10 . . B 2 67.112 42.28 -7.331 1 43.37 ? C8 DA 19 D 1 +ATOM 774 N N7 DA 10 . . B 2 65.819 42.211 -7.053 1 42.86 ? N7 DA 19 D 1 +ATOM 775 C C5 DA 10 . . B 2 65.434 43.543 -6.932 1 46.5 ? C5 DA 19 D 1 +ATOM 776 C C6 DA 10 . . B 2 64.194 44.152 -6.688 1 43.94 ? C6 DA 19 D 1 +ATOM 777 N N6 DA 10 . . B 2 63.06 43.485 -6.494 1 46 ? N6 DA 19 D 1 +ATOM 778 N N1 DA 10 . . B 2 64.149 45.503 -6.651 1 47.67 ? N1 DA 19 D 1 +ATOM 779 C C2 DA 10 . . B 2 65.282 46.199 -6.845 1 46.77 ? C2 DA 19 D 1 +ATOM 780 N N3 DA 10 . . B 2 66.496 45.75 -7.088 1 55 ? N3 DA 19 D 1 +ATOM 781 C C4 DA 10 . . B 2 66.513 44.396 -7.127 1 51 ? C4 DA 19 D 1 +ATOM 782 P P DC 11 . . B 2 71.782 45.583 -6.725 1 55 ? P DC 20 D 1 +ATOM 783 O OP1 DC 11 . . B 2 72.849 46.633 -6.709 1 50.91 ? OP1 DC 20 D 1 +ATOM 784 O OP2 DC 11 . . B 2 71.733 44.569 -5.607 1 54.46 ? OP2 DC 20 D 1 +ATOM 785 O O5' DC 11 . . B 2 70.374 46.362 -6.683 1 54.73 ? O5' DC 20 D 1 +ATOM 786 C C5' DC 11 . . B 2 70.238 47.71 -7.197 1 54.18 ? C5' DC 20 D 1 +ATOM 787 C C4' DC 11 . . B 2 69.47 48.622 -6.247 1 55 ? C4' DC 20 D 1 +ATOM 788 O O4' DC 11 . . B 2 68.151 48.087 -5.925 1 55 ? O4' DC 20 D 1 +ATOM 789 C C3' DC 11 . . B 2 70.163 48.947 -4.917 1 55 ? C3' DC 20 D 1 +ATOM 790 O O3' DC 11 . . B 2 70.024 50.339 -4.587 1 55 ? O3' DC 20 D 1 +ATOM 791 C C2' DC 11 . . B 2 69.41 48.117 -3.899 1 55 ? C2' DC 20 D 1 +ATOM 792 C C1' DC 11 . . B 2 68.015 47.916 -4.509 1 55 ? C1' DC 20 D 1 +ATOM 793 N N1 DC 11 . . B 2 67.541 46.535 -4.23 1 55 ? N1 DC 20 D 1 +ATOM 794 C C2 DC 11 . . B 2 66.58 46.357 -3.257 1 54.91 ? C2 DC 20 D 1 +ATOM 795 O O2 DC 11 . . B 2 66.142 47.354 -2.675 1 54.11 ? O2 DC 20 D 1 +ATOM 796 N N3 DC 11 . . B 2 66.146 45.093 -2.962 1 53.87 ? N3 DC 20 D 1 +ATOM 797 C C4 DC 11 . . B 2 66.654 44.033 -3.611 1 52.79 ? C4 DC 20 D 1 +ATOM 798 N N4 DC 11 . . B 2 66.201 42.805 -3.284 1 46.47 ? N4 DC 20 D 1 +ATOM 799 C C5 DC 11 . . B 2 67.639 44.185 -4.619 1 53.77 ? C5 DC 20 D 1 +ATOM 800 C C6 DC 11 . . B 2 68.05 45.443 -4.9 1 55 ? C6 DC 20 D 1 +ATOM 801 P P DT 12 . . B 2 71.349 51.237 -4.34 1 55 ? P DT 21 D 1 +ATOM 802 O OP1 DT 12 . . B 2 71.08 52.675 -4.656 1 55 ? OP1 DT 21 D 1 +ATOM 803 O OP2 DT 12 . . B 2 72.436 50.523 -5.06 1 55 ? OP2 DT 21 D 1 +ATOM 804 O O5' DT 12 . . B 2 71.581 51.181 -2.754 1 55 ? O5' DT 21 D 1 +ATOM 805 C C5' DT 12 . . B 2 70.648 50.509 -1.877 1 55 ? C5' DT 21 D 1 +ATOM 806 C C4' DT 12 . . B 2 69.353 51.288 -1.725 1 53.47 ? C4' DT 21 D 1 +ATOM 807 O O4' DT 12 . . B 2 68.269 50.356 -1.985 1 45.29 ? O4' DT 21 D 1 +ATOM 808 C C3' DT 12 . . B 2 69.132 51.821 -0.294 1 50.57 ? C3' DT 21 D 1 +ATOM 809 O O3' DT 12 . . B 2 68.418 53.056 -0.162 1 48.03 ? O3' DT 21 D 1 +ATOM 810 C C2' DT 12 . . B 2 68.217 50.815 0.36 1 44.89 ? C2' DT 21 D 1 +ATOM 811 C C1' DT 12 . . B 2 67.47 50.164 -0.793 1 52.73 ? C1' DT 21 D 1 +ATOM 812 N N1 DT 12 . . B 2 67.497 48.771 -0.422 1 51.45 ? N1 DT 21 D 1 +ATOM 813 C C2 DT 12 . . B 2 66.672 48.363 0.611 1 54.31 ? C2 DT 21 D 1 +ATOM 814 O O2 DT 12 . . B 2 65.925 49.113 1.192 1 52.35 ? O2 DT 21 D 1 +ATOM 815 N N3 DT 12 . . B 2 66.763 47.051 0.943 1 53.29 ? N3 DT 21 D 1 +ATOM 816 C C4 DT 12 . . B 2 67.578 46.118 0.362 1 55 ? C4 DT 21 D 1 +ATOM 817 O O4 DT 12 . . B 2 67.545 44.972 0.776 1 52.9 ? O4 DT 21 D 1 +ATOM 818 C C5 DT 12 . . B 2 68.436 46.62 -0.742 1 55 ? C5 DT 21 D 1 +ATOM 819 C C7 DT 12 . . B 2 69.384 45.692 -1.451 1 55 ? C7 DT 21 D 1 +ATOM 820 C C6 DT 12 . . B 2 68.333 47.908 -1.067 1 55 ? C6 DT 21 D 1 +ATOM 821 P P DT 13 . . B 2 68.253 53.679 1.316 1 49.59 ? P DT 22 D 1 +ATOM 822 O OP1 DT 13 . . B 2 68.957 54.996 1.229 1 53.2 ? OP1 DT 22 D 1 +ATOM 823 O OP2 DT 13 . . B 2 68.737 52.641 2.294 1 52.51 ? OP2 DT 22 D 1 +ATOM 824 O O5' DT 13 . . B 2 66.702 53.944 1.661 1 45.11 ? O5' DT 22 D 1 +ATOM 825 C C5' DT 13 . . B 2 65.685 52.982 1.408 1 43.34 ? C5' DT 22 D 1 +ATOM 826 C C4' DT 13 . . B 2 65.109 52.358 2.669 1 37.37 ? C4' DT 22 D 1 +ATOM 827 O O4' DT 13 . . B 2 65.516 50.978 2.621 1 47.19 ? O4' DT 22 D 1 +ATOM 828 C C3' DT 13 . . B 2 65.387 52.816 4.118 1 36.43 ? C3' DT 22 D 1 +ATOM 829 O O3' DT 13 . . B 2 64.163 52.776 4.859 1 28.16 ? O3' DT 22 D 1 +ATOM 830 C C2' DT 13 . . B 2 66.218 51.675 4.691 1 41.19 ? C2' DT 22 D 1 +ATOM 831 C C1' DT 13 . . B 2 65.635 50.506 3.941 1 46.69 ? C1' DT 22 D 1 +ATOM 832 N N1 DT 13 . . B 2 66.456 49.288 3.912 1 47.59 ? N1 DT 22 D 1 +ATOM 833 C C2 DT 13 . . B 2 65.896 48.14 4.438 1 45.6 ? C2 DT 22 D 1 +ATOM 834 O O2 DT 13 . . B 2 64.774 48.11 4.905 1 41.73 ? O2 DT 22 D 1 +ATOM 835 N N3 DT 13 . . B 2 66.697 47.032 4.397 1 41.54 ? N3 DT 22 D 1 +ATOM 836 C C4 DT 13 . . B 2 67.978 46.954 3.893 1 44.41 ? C4 DT 22 D 1 +ATOM 837 O O4 DT 13 . . B 2 68.587 45.869 3.937 1 37.35 ? O4 DT 22 D 1 +ATOM 838 C C5 DT 13 . . B 2 68.506 48.214 3.342 1 49.96 ? C5 DT 22 D 1 +ATOM 839 C C7 DT 13 . . B 2 69.886 48.243 2.759 1 44.67 ? C7 DT 22 D 1 +ATOM 840 C C6 DT 13 . . B 2 67.723 49.298 3.384 1 46.06 ? C6 DT 22 D 1 +ATOM 841 P P DT 14 . . B 2 64.136 53.102 6.438 1 30.14 ? P DT 23 D 1 +ATOM 842 O OP1 DT 14 . . B 2 63.002 53.996 6.721 1 33.73 ? OP1 DT 23 D 1 +ATOM 843 O OP2 DT 14 . . B 2 65.479 53.374 7.043 1 26.43 ? OP2 DT 23 D 1 +ATOM 844 O O5' DT 14 . . B 2 63.574 51.803 7.119 1 32.66 ? O5' DT 23 D 1 +ATOM 845 C C5' DT 14 . . B 2 62.265 51.408 6.852 1 27.71 ? C5' DT 23 D 1 +ATOM 846 C C4' DT 14 . . B 2 62.073 50.019 7.381 1 29.7 ? C4' DT 23 D 1 +ATOM 847 O O4' DT 14 . . B 2 63.121 49.183 6.843 1 27.87 ? O4' DT 23 D 1 +ATOM 848 C C3' DT 14 . . B 2 62.231 49.961 8.896 1 29.01 ? C3' DT 23 D 1 +ATOM 849 O O3' DT 14 . . B 2 61.095 49.263 9.374 1 28.89 ? O3' DT 23 D 1 +ATOM 850 C C2' DT 14 . . B 2 63.515 49.178 9.113 1 25.76 ? C2' DT 23 D 1 +ATOM 851 C C1' DT 14 . . B 2 63.553 48.33 7.869 1 28.79 ? C1' DT 23 D 1 +ATOM 852 N N1 DT 14 . . B 2 64.885 47.842 7.529 1 23.69 ? N1 DT 23 D 1 +ATOM 853 C C2 DT 14 . . B 2 65.082 46.487 7.441 1 25.02 ? C2 DT 23 D 1 +ATOM 854 O O2 DT 14 . . B 2 64.187 45.652 7.618 1 21.8 ? O2 DT 23 D 1 +ATOM 855 N N3 DT 14 . . B 2 66.342 46.121 7.152 1 13.78 ? N3 DT 23 D 1 +ATOM 856 C C4 DT 14 . . B 2 67.397 46.933 6.966 1 25.71 ? C4 DT 23 D 1 +ATOM 857 O O4 DT 14 . . B 2 68.498 46.449 6.756 1 21.25 ? O4 DT 23 D 1 +ATOM 858 C C5 DT 14 . . B 2 67.123 48.343 7.05 1 29.34 ? C5 DT 23 D 1 +ATOM 859 C C7 DT 14 . . B 2 68.238 49.322 6.829 1 27.25 ? C7 DT 23 D 1 +ATOM 860 C C6 DT 14 . . B 2 65.889 48.719 7.324 1 27.44 ? C6 DT 23 D 1 +ATOM 861 P P DT 15 . . B 2 60.906 48.976 10.95 1 45.19 ? P DT 24 D 1 +ATOM 862 O OP1 DT 15 . . B 2 59.441 49.265 11.231 1 39.14 ? OP1 DT 24 D 1 +ATOM 863 O OP2 DT 15 . . B 2 61.973 49.682 11.755 1 35.46 ? OP2 DT 24 D 1 +ATOM 864 O O5' DT 15 . . B 2 61.155 47.4 11.043 1 41.5 ? O5' DT 24 D 1 +ATOM 865 C C5' DT 15 . . B 2 60.261 46.509 10.396 1 47.88 ? C5' DT 24 D 1 +ATOM 866 C C4' DT 15 . . B 2 60.825 45.111 10.372 1 47.86 ? C4' DT 24 D 1 +ATOM 867 O O4' DT 15 . . B 2 62.109 45.167 9.716 1 52.37 ? O4' DT 24 D 1 +ATOM 868 C C3' DT 15 . . B 2 61.119 44.541 11.751 1 46.21 ? C3' DT 24 D 1 +ATOM 869 O O3' DT 15 . . B 2 59.989 43.851 12.28 1 40.45 ? O3' DT 24 D 1 +ATOM 870 C C2' DT 15 . . B 2 62.247 43.566 11.481 1 48.38 ? C2' DT 24 D 1 +ATOM 871 C C1' DT 15 . . B 2 62.933 44.136 10.258 1 48.35 ? C1' DT 24 D 1 +ATOM 872 N N1 DT 15 . . B 2 64.276 44.682 10.479 1 44.35 ? N1 DT 24 D 1 +ATOM 873 C C2 DT 15 . . B 2 65.343 43.799 10.361 1 46.14 ? C2 DT 24 D 1 +ATOM 874 O O2 DT 15 . . B 2 65.233 42.588 10.132 1 43.07 ? O2 DT 24 D 1 +ATOM 875 N N3 DT 15 . . B 2 66.555 44.381 10.526 1 49.95 ? N3 DT 24 D 1 +ATOM 876 C C4 DT 15 . . B 2 66.807 45.733 10.814 1 42.83 ? C4 DT 24 D 1 +ATOM 877 O O4 DT 15 . . B 2 67.958 46.144 10.939 1 37.01 ? O4 DT 24 D 1 +ATOM 878 C C5 DT 15 . . B 2 65.681 46.569 10.948 1 50.44 ? C5 DT 24 D 1 +ATOM 879 C C7 DT 15 . . B 2 65.917 48.008 11.275 1 46.54 ? C7 DT 24 D 1 +ATOM 880 C C6 DT 15 . . B 2 64.472 46.018 10.774 1 55 ? C6 DT 24 D 1 +ATOM 881 P P DC 16 . . B 2 59.823 43.757 13.862 1 45.23 ? P DC 25 D 1 +ATOM 882 O OP1 DC 16 . . B 2 58.552 43.027 14.152 1 51.17 ? OP1 DC 25 D 1 +ATOM 883 O OP2 DC 16 . . B 2 60.052 45.094 14.466 1 55 ? OP2 DC 25 D 1 +ATOM 884 O O5' DC 16 . . B 2 61.082 42.915 14.316 1 43.4 ? O5' DC 25 D 1 +ATOM 885 C C5' DC 16 . . B 2 61.259 41.597 13.863 1 44.9 ? C5' DC 25 D 1 +ATOM 886 C C4' DC 16 . . B 2 62.596 41.073 14.327 1 48.98 ? C4' DC 25 D 1 +ATOM 887 O O4' DC 16 . . B 2 63.644 41.993 13.944 1 49.36 ? O4' DC 25 D 1 +ATOM 888 C C3' DC 16 . . B 2 62.752 40.851 15.838 1 55 ? C3' DC 25 D 1 +ATOM 889 O O3' DC 16 . . B 2 63.248 39.495 16.003 1 55 ? O3' DC 25 D 1 +ATOM 890 C C2' DC 16 . . B 2 63.778 41.91 16.252 1 49 ? C2' DC 25 D 1 +ATOM 891 C C1' DC 16 . . B 2 64.6 42.047 14.978 1 48.81 ? C1' DC 25 D 1 +ATOM 892 N N1 DC 16 . . B 2 65.363 43.291 14.797 1 48.4 ? N1 DC 25 D 1 +ATOM 893 C C2 DC 16 . . B 2 66.62 43.227 14.136 1 46.96 ? C2 DC 25 D 1 +ATOM 894 O O2 DC 16 . . B 2 67.067 42.118 13.721 1 41.01 ? O2 DC 25 D 1 +ATOM 895 N N3 DC 16 . . B 2 67.318 44.357 13.966 1 45.61 ? N3 DC 25 D 1 +ATOM 896 C C4 DC 16 . . B 2 66.806 45.518 14.418 1 45.62 ? C4 DC 25 D 1 +ATOM 897 N N4 DC 16 . . B 2 67.531 46.619 14.21 1 40.43 ? N4 DC 25 D 1 +ATOM 898 C C5 DC 16 . . B 2 65.551 45.599 15.087 1 45.76 ? C5 DC 25 D 1 +ATOM 899 C C6 DC 16 . . B 2 64.873 44.484 15.253 1 42.16 ? C6 DC 25 D 1 +ATOM 900 P P DG 17 . . B 2 62.654 38.505 17.163 1 49.77 ? P DG 26 D 1 +ATOM 901 O OP1 DG 17 . . B 2 61.433 37.732 16.764 1 52.71 ? OP1 DG 26 D 1 +ATOM 902 O OP2 DG 17 . . B 2 62.61 39.303 18.437 1 55 ? OP2 DG 26 D 1 +ATOM 903 O O5' DG 17 . . B 2 63.794 37.398 17.153 1 47.44 ? O5' DG 26 D 1 +ATOM 904 C C5' DG 17 . . B 2 64.187 36.792 15.925 1 42.09 ? C5' DG 26 D 1 +ATOM 905 C C4' DG 17 . . B 2 65.614 36.362 16.046 1 43.6 ? C4' DG 26 D 1 +ATOM 906 O O4' DG 17 . . B 2 66.473 37.546 16.005 1 51.4 ? O4' DG 26 D 1 +ATOM 907 C C3' DG 17 . . B 2 65.827 35.763 17.424 1 43.5 ? C3' DG 26 D 1 +ATOM 908 O O3' DG 17 . . B 2 66.828 34.741 17.32 1 52.09 ? O3' DG 26 D 1 +ATOM 909 C C2' DG 17 . . B 2 66.255 36.976 18.265 1 47.87 ? C2' DG 26 D 1 +ATOM 910 C C1' DG 17 . . B 2 67.109 37.773 17.286 1 48.54 ? C1' DG 26 D 1 +ATOM 911 N N9 DG 17 . . B 2 67.25 39.228 17.427 1 38.12 ? N9 DG 26 D 1 +ATOM 912 C C8 DG 17 . . B 2 66.246 40.14 17.64 1 43.8 ? C8 DG 26 D 1 +ATOM 913 N N7 DG 17 . . B 2 66.661 41.38 17.642 1 36.92 ? N7 DG 26 D 1 +ATOM 914 C C5 DG 17 . . B 2 68.033 41.284 17.435 1 41.01 ? C5 DG 26 D 1 +ATOM 915 C C6 DG 17 . . B 2 69.063 42.328 17.27 1 44.75 ? C6 DG 26 D 1 +ATOM 916 O O6 DG 17 . . B 2 68.95 43.573 17.314 1 47.53 ? O6 DG 26 D 1 +ATOM 917 N N1 DG 17 . . B 2 70.312 41.778 17.032 1 43.5 ? N1 DG 26 D 1 +ATOM 918 C C2 DG 17 . . B 2 70.57 40.445 16.958 1 42.91 ? C2 DG 26 D 1 +ATOM 919 N N2 DG 17 . . B 2 71.853 40.155 16.729 1 53.81 ? N2 DG 26 D 1 +ATOM 920 N N3 DG 17 . . B 2 69.652 39.471 17.097 1 35.37 ? N3 DG 26 D 1 +ATOM 921 C C4 DG 17 . . B 2 68.418 39.958 17.325 1 36.11 ? C4 DG 26 D 1 +ATOM 922 O O5' DA 1 . . D 2 52.196 46.541 -24.451 1 31.3 ? O5' DA 13 F 1 +ATOM 923 C C5' DA 1 . . D 2 51.581 46.001 -23.228 1 41.3 ? C5' DA 13 F 1 +ATOM 924 C C4' DA 1 . . D 2 50.321 46.697 -22.75 1 42.45 ? C4' DA 13 F 1 +ATOM 925 O O4' DA 1 . . D 2 50.662 47.98 -22.131 1 45.17 ? O4' DA 13 F 1 +ATOM 926 C C3' DA 1 . . D 2 49.321 47.004 -23.875 1 44.98 ? C3' DA 13 F 1 +ATOM 927 O O3' DA 1 . . D 2 48.046 46.436 -23.524 1 46.35 ? O3' DA 13 F 1 +ATOM 928 C C2' DA 1 . . D 2 49.338 48.533 -23.993 1 35.4 ? C2' DA 13 F 1 +ATOM 929 C C1' DA 1 . . D 2 49.751 48.987 -22.598 1 38.85 ? C1' DA 13 F 1 +ATOM 930 N N9 DA 1 . . D 2 50.387 50.318 -22.455 1 38.98 ? N9 DA 13 F 1 +ATOM 931 C C8 DA 1 . . D 2 51.613 50.722 -22.895 1 40.38 ? C8 DA 13 F 1 +ATOM 932 N N7 DA 1 . . D 2 51.899 51.977 -22.596 1 42.52 ? N7 DA 13 F 1 +ATOM 933 C C5 DA 1 . . D 2 50.785 52.437 -21.92 1 40.69 ? C5 DA 13 F 1 +ATOM 934 C C6 DA 1 . . D 2 50.474 53.682 -21.298 1 37.34 ? C6 DA 13 F 1 +ATOM 935 N N6 DA 1 . . D 2 51.265 54.771 -21.281 1 31.64 ? N6 DA 13 F 1 +ATOM 936 N N1 DA 1 . . D 2 49.295 53.785 -20.671 1 36.19 ? N1 DA 13 F 1 +ATOM 937 C C2 DA 1 . . D 2 48.483 52.726 -20.664 1 31.26 ? C2 DA 13 F 1 +ATOM 938 N N3 DA 1 . . D 2 48.648 51.525 -21.195 1 36.31 ? N3 DA 13 F 1 +ATOM 939 C C4 DA 1 . . D 2 49.837 51.433 -21.821 1 42.68 ? C4 DA 13 F 1 +ATOM 940 P P DT 2 . . D 2 46.728 46.691 -24.46 1 55 ? P DT 12 F 1 +ATOM 941 O OP1 DT 2 . . D 2 45.971 45.42 -24.764 1 53.9 ? OP1 DT 12 F 1 +ATOM 942 O OP2 DT 2 . . D 2 47.107 47.604 -25.59 1 52.04 ? OP2 DT 12 F 1 +ATOM 943 O O5' DT 2 . . D 2 45.732 47.449 -23.461 1 55 ? O5' DT 12 F 1 +ATOM 944 C C5' DT 2 . . D 2 46.145 47.837 -22.12 1 55 ? C5' DT 12 F 1 +ATOM 945 C C4' DT 2 . . D 2 45.278 48.98 -21.632 1 52.68 ? C4' DT 12 F 1 +ATOM 946 O O4' DT 2 . . D 2 46.029 50.159 -21.256 1 49.1 ? O4' DT 12 F 1 +ATOM 947 C C3' DT 2 . . D 2 44.387 49.439 -22.765 1 51.1 ? C3' DT 12 F 1 +ATOM 948 O O3' DT 2 . . D 2 43.335 48.484 -22.774 1 45.01 ? O3' DT 12 F 1 +ATOM 949 C C2' DT 2 . . D 2 44.076 50.889 -22.424 1 46.07 ? C2' DT 12 F 1 +ATOM 950 C C1' DT 2 . . D 2 45.256 51.319 -21.546 1 47.38 ? C1' DT 12 F 1 +ATOM 951 N N1 DT 2 . . D 2 46.145 52.344 -22.134 1 52.18 ? N1 DT 12 F 1 +ATOM 952 C C2 DT 2 . . D 2 46.13 53.608 -21.549 1 50.13 ? C2 DT 12 F 1 +ATOM 953 O O2 DT 2 . . D 2 45.438 53.903 -20.582 1 51.28 ? O2 DT 12 F 1 +ATOM 954 N N3 DT 2 . . D 2 46.956 54.519 -22.132 1 46.57 ? N3 DT 12 F 1 +ATOM 955 C C4 DT 2 . . D 2 47.789 54.326 -23.192 1 55 ? C4 DT 12 F 1 +ATOM 956 O O4 DT 2 . . D 2 48.458 55.256 -23.575 1 55 ? O4 DT 12 F 1 +ATOM 957 C C5 DT 2 . . D 2 47.783 52.971 -23.769 1 55 ? C5 DT 12 F 1 +ATOM 958 C C7 DT 2 . . D 2 48.68 52.654 -24.93 1 50.79 ? C7 DT 12 F 1 +ATOM 959 C C6 DT 2 . . D 2 46.96 52.063 -23.214 1 54.47 ? C6 DT 12 F 1 +ATOM 960 P P DA 3 . . D 2 41.836 48.933 -22.564 1 46.55 ? P DA 11 F 1 +ATOM 961 O OP1 DA 3 . . D 2 41.275 47.776 -21.806 1 55 ? OP1 DA 11 F 1 +ATOM 962 O OP2 DA 3 . . D 2 41.274 49.315 -23.894 1 39.55 ? OP2 DA 11 F 1 +ATOM 963 O O5' DA 3 . . D 2 41.856 50.207 -21.604 1 48.88 ? O5' DA 11 F 1 +ATOM 964 C C5' DA 3 . . D 2 41.417 50.113 -20.25 1 42.78 ? C5' DA 11 F 1 +ATOM 965 C C4' DA 3 . . D 2 40.939 51.457 -19.738 1 35.19 ? C4' DA 11 F 1 +ATOM 966 O O4' DA 3 . . D 2 41.801 52.552 -20.135 1 29.52 ? O4' DA 11 F 1 +ATOM 967 C C3' DA 3 . . D 2 39.522 51.866 -20.11 1 23.23 ? C3' DA 11 F 1 +ATOM 968 O O3' DA 3 . . D 2 39.007 52.433 -18.92 1 21.96 ? O3' DA 11 F 1 +ATOM 969 C C2' DA 3 . . D 2 39.746 52.907 -21.207 1 33.06 ? C2' DA 11 F 1 +ATOM 970 C C1' DA 3 . . D 2 41.085 53.558 -20.853 1 34.91 ? C1' DA 11 F 1 +ATOM 971 N N9 DA 3 . . D 2 41.957 53.988 -21.964 1 40.51 ? N9 DA 11 F 1 +ATOM 972 C C8 DA 3 . . D 2 42.041 53.474 -23.229 1 40.12 ? C8 DA 11 F 1 +ATOM 973 N N7 DA 3 . . D 2 42.957 54.053 -23.979 1 33.1 ? N7 DA 11 F 1 +ATOM 974 C C5 DA 3 . . D 2 43.511 55.022 -23.157 1 32.05 ? C5 DA 11 F 1 +ATOM 975 C C6 DA 3 . . D 2 44.559 55.998 -23.355 1 30.22 ? C6 DA 11 F 1 +ATOM 976 N N6 DA 3 . . D 2 45.285 56.17 -24.469 1 32.82 ? N6 DA 11 F 1 +ATOM 977 N N1 DA 3 . . D 2 44.841 56.817 -22.32 1 37.16 ? N1 DA 11 F 1 +ATOM 978 C C2 DA 3 . . D 2 44.136 56.665 -21.167 1 40.96 ? C2 DA 11 F 1 +ATOM 979 N N3 DA 3 . . D 2 43.164 55.802 -20.872 1 38.91 ? N3 DA 11 F 1 +ATOM 980 C C4 DA 3 . . D 2 42.894 55.004 -21.914 1 34.63 ? C4 DA 11 F 1 +ATOM 981 P P DT 4 . . D 2 37.444 52.492 -18.639 1 25.31 ? P DT 10 F 1 +ATOM 982 O OP1 DT 4 . . D 2 37.439 52.255 -17.212 1 21.49 ? OP1 DT 10 F 1 +ATOM 983 O OP2 DT 4 . . D 2 36.623 51.611 -19.507 1 24.13 ? OP2 DT 10 F 1 +ATOM 984 O O5' DT 4 . . D 2 37.177 54.041 -18.904 1 29.28 ? O5' DT 10 F 1 +ATOM 985 C C5' DT 4 . . D 2 38.141 54.937 -18.368 1 27.46 ? C5' DT 10 F 1 +ATOM 986 C C4' DT 4 . . D 2 37.919 56.362 -18.795 1 23.29 ? C4' DT 10 F 1 +ATOM 987 O O4' DT 4 . . D 2 38.799 56.73 -19.866 1 30.99 ? O4' DT 10 F 1 +ATOM 988 C C3' DT 4 . . D 2 36.546 56.885 -19.166 1 29.2 ? C3' DT 10 F 1 +ATOM 989 O O3' DT 4 . . D 2 36.486 58.027 -18.26 1 28.19 ? O3' DT 10 F 1 +ATOM 990 C C2' DT 4 . . D 2 36.656 57.13 -20.684 1 26.83 ? C2' DT 10 F 1 +ATOM 991 C C1' DT 4 . . D 2 38.122 57.472 -20.906 1 27.54 ? C1' DT 10 F 1 +ATOM 992 N N1 DT 4 . . D 2 38.894 57.151 -22.187 1 38.03 ? N1 DT 10 F 1 +ATOM 993 C C2 DT 4 . . D 2 39.951 58.016 -22.554 1 41.72 ? C2 DT 10 F 1 +ATOM 994 O O2 DT 4 . . D 2 40.216 59.054 -21.967 1 43.8 ? O2 DT 10 F 1 +ATOM 995 N N3 DT 4 . . D 2 40.686 57.607 -23.641 1 38.13 ? N3 DT 10 F 1 +ATOM 996 C C4 DT 4 . . D 2 40.495 56.485 -24.393 1 27.21 ? C4 DT 10 F 1 +ATOM 997 O O4 DT 4 . . D 2 41.268 56.252 -25.297 1 34.86 ? O4 DT 10 F 1 +ATOM 998 C C5 DT 4 . . D 2 39.364 55.656 -24.018 1 28.27 ? C5 DT 10 F 1 +ATOM 999 C C7 DT 4 . . D 2 39.06 54.429 -24.814 1 28.01 ? C7 DT 10 F 1 +ATOM 1000 C C6 DT 4 . . D 2 38.624 56.027 -22.956 1 34.11 ? C6 DT 10 F 1 +ATOM 1001 P P DG 5 . . D 2 35.672 59.367 -18.605 1 19.85 ? P DG 9 F 1 +ATOM 1002 O OP1 DG 5 . . D 2 35.538 59.937 -17.258 1 29.14 ? OP1 DG 9 F 1 +ATOM 1003 O OP2 DG 5 . . D 2 34.423 59.2 -19.435 1 19.55 ? OP2 DG 9 F 1 +ATOM 1004 O O5' DG 5 . . D 2 36.811 60.228 -19.246 1 22.89 ? O5' DG 9 F 1 +ATOM 1005 C C5' DG 5 . . D 2 37.757 60.811 -18.379 1 29.57 ? C5' DG 9 F 1 +ATOM 1006 C C4' DG 5 . . D 2 38.074 62.225 -18.806 1 25.07 ? C4' DG 9 F 1 +ATOM 1007 O O4' DG 5 . . D 2 38.736 62.193 -20.087 1 20.95 ? O4' DG 9 F 1 +ATOM 1008 C C3' DG 5 . . D 2 36.879 63.148 -18.993 1 23.23 ? C3' DG 9 F 1 +ATOM 1009 O O3' DG 5 . . D 2 37.364 64.488 -18.898 1 34.69 ? O3' DG 9 F 1 +ATOM 1010 C C2' DG 5 . . D 2 36.502 62.869 -20.419 1 21.51 ? C2' DG 9 F 1 +ATOM 1011 C C1' DG 5 . . D 2 37.871 62.686 -21.036 1 21.86 ? C1' DG 9 F 1 +ATOM 1012 N N9 DG 5 . . D 2 37.826 61.772 -22.142 1 22.16 ? N9 DG 9 F 1 +ATOM 1013 C C8 DG 5 . . D 2 37.06 60.675 -22.294 1 18.22 ? C8 DG 9 F 1 +ATOM 1014 N N7 DG 5 . . D 2 37.229 60.095 -23.444 1 29.66 ? N7 DG 9 F 1 +ATOM 1015 C C5 DG 5 . . D 2 38.179 60.875 -24.077 1 32.74 ? C5 DG 9 F 1 +ATOM 1016 C C6 DG 5 . . D 2 38.746 60.773 -25.351 1 36.61 ? C6 DG 9 F 1 +ATOM 1017 O O6 DG 5 . . D 2 38.503 59.939 -26.236 1 37.57 ? O6 DG 9 F 1 +ATOM 1018 N N1 DG 5 . . D 2 39.686 61.78 -25.58 1 33.84 ? N1 DG 9 F 1 +ATOM 1019 C C2 DG 5 . . D 2 40.027 62.77 -24.68 1 39.28 ? C2 DG 9 F 1 +ATOM 1020 N N2 DG 5 . . D 2 40.984 63.67 -25.035 1 37.76 ? N2 DG 9 F 1 +ATOM 1021 N N3 DG 5 . . D 2 39.474 62.877 -23.5 1 37.04 ? N3 DG 9 F 1 +ATOM 1022 C C4 DG 5 . . D 2 38.566 61.899 -23.271 1 33.89 ? C4 DG 9 F 1 +ATOM 1023 P P DT 6 . . D 2 36.4 65.721 -19.21 1 36.67 ? P DT 8 F 1 +ATOM 1024 O OP1 DT 6 . . D 2 36.894 66.806 -18.292 1 36.61 ? OP1 DT 8 F 1 +ATOM 1025 O OP2 DT 6 . . D 2 34.989 65.228 -19.094 1 27.67 ? OP2 DT 8 F 1 +ATOM 1026 O O5' DT 6 . . D 2 36.698 66.089 -20.755 1 39.41 ? O5' DT 8 F 1 +ATOM 1027 C C5' DT 6 . . D 2 38.05 66.099 -21.274 1 39.26 ? C5' DT 8 F 1 +ATOM 1028 C C4' DT 6 . . D 2 38.192 67.018 -22.471 1 33.08 ? C4' DT 8 F 1 +ATOM 1029 O O4' DT 6 . . D 2 38.414 66.244 -23.683 1 31.25 ? O4' DT 8 F 1 +ATOM 1030 C C3' DT 6 . . D 2 36.968 67.883 -22.727 1 32.96 ? C3' DT 8 F 1 +ATOM 1031 O O3' DT 6 . . D 2 37.319 69.115 -23.352 1 34.95 ? O3' DT 8 F 1 +ATOM 1032 C C2' DT 6 . . D 2 36.193 67.06 -23.714 1 32.42 ? C2' DT 8 F 1 +ATOM 1033 C C1' DT 6 . . D 2 37.288 66.371 -24.525 1 33.16 ? C1' DT 8 F 1 +ATOM 1034 N N1 DT 6 . . D 2 36.805 65.033 -24.971 1 28.95 ? N1 DT 8 F 1 +ATOM 1035 C C2 DT 6 . . D 2 37.477 64.342 -25.924 1 29.83 ? C2 DT 8 F 1 +ATOM 1036 O O2 DT 6 . . D 2 38.498 64.732 -26.403 1 40.47 ? O2 DT 8 F 1 +ATOM 1037 N N3 DT 6 . . D 2 36.91 63.171 -26.298 1 28.22 ? N3 DT 8 F 1 +ATOM 1038 C C4 DT 6 . . D 2 35.758 62.623 -25.816 1 26.31 ? C4 DT 8 F 1 +ATOM 1039 O O4 DT 6 . . D 2 35.362 61.579 -26.263 1 33.65 ? O4 DT 8 F 1 +ATOM 1040 C C5 DT 6 . . D 2 35.1 63.369 -24.793 1 28.16 ? C5 DT 8 F 1 +ATOM 1041 C C7 DT 6 . . D 2 33.83 62.824 -24.188 1 24.72 ? C7 DT 8 F 1 +ATOM 1042 C C6 DT 6 . . D 2 35.652 64.527 -24.42 1 27.42 ? C6 DT 8 F 1 +ATOM 1043 P P DC 7 . . D 2 36.433 70.448 -23.065 1 41.78 ? P DC 7 F 1 +ATOM 1044 O OP1 DC 7 . . D 2 37.409 71.404 -22.521 1 42.03 ? OP1 DC 7 F 1 +ATOM 1045 O OP2 DC 7 . . D 2 35.115 70.273 -22.361 1 33.42 ? OP2 DC 7 F 1 +ATOM 1046 O O5' DC 7 . . D 2 36.07 70.94 -24.525 1 36.89 ? O5' DC 7 F 1 +ATOM 1047 C C5' DC 7 . . D 2 37.074 71.156 -25.522 1 28.88 ? C5' DC 7 F 1 +ATOM 1048 C C4' DC 7 . . D 2 36.363 71.298 -26.83 1 30.64 ? C4' DC 7 F 1 +ATOM 1049 O O4' DC 7 . . D 2 36.028 69.937 -27.246 1 25.93 ? O4' DC 7 F 1 +ATOM 1050 C C3' DC 7 . . D 2 35.039 72.004 -26.488 1 38.23 ? C3' DC 7 F 1 +ATOM 1051 O O3' DC 7 . . D 2 34.697 73.146 -27.282 1 43.55 ? O3' DC 7 F 1 +ATOM 1052 C C2' DC 7 . . D 2 33.981 70.932 -26.586 1 38.97 ? C2' DC 7 F 1 +ATOM 1053 C C1' DC 7 . . D 2 34.618 69.853 -27.453 1 40.17 ? C1' DC 7 F 1 +ATOM 1054 N N1 DC 7 . . D 2 34.074 68.496 -27.113 1 38.99 ? N1 DC 7 F 1 +ATOM 1055 C C2 DC 7 . . D 2 34.634 67.312 -27.657 1 39.07 ? C2 DC 7 F 1 +ATOM 1056 O O2 DC 7 . . D 2 35.623 67.386 -28.434 1 45.21 ? O2 DC 7 F 1 +ATOM 1057 N N3 DC 7 . . D 2 34.066 66.115 -27.324 1 27.67 ? N3 DC 7 F 1 +ATOM 1058 C C4 DC 7 . . D 2 33.017 66.081 -26.524 1 29.36 ? C4 DC 7 F 1 +ATOM 1059 N N4 DC 7 . . D 2 32.503 64.931 -26.254 1 28.91 ? N4 DC 7 F 1 +ATOM 1060 C C5 DC 7 . . D 2 32.447 67.243 -25.967 1 40.15 ? C5 DC 7 F 1 +ATOM 1061 C C6 DC 7 . . D 2 32.994 68.41 -26.273 1 40.85 ? C6 DC 7 F 1 +ATOM 1062 P P DA 8 . . D 2 33.414 74.059 -26.862 1 53.93 ? P DA 6 F 1 +ATOM 1063 O OP1 DA 8 . . D 2 34.057 75.392 -26.618 1 55 ? OP1 DA 6 F 1 +ATOM 1064 O OP2 DA 8 . . D 2 32.496 73.443 -25.823 1 39.57 ? OP2 DA 6 F 1 +ATOM 1065 O O5' DA 8 . . D 2 32.554 74.101 -28.196 1 46.92 ? O5' DA 6 F 1 +ATOM 1066 C C5' DA 8 . . D 2 33.167 73.698 -29.403 1 42.42 ? C5' DA 6 F 1 +ATOM 1067 C C4' DA 8 . . D 2 32.126 73.396 -30.447 1 50.7 ? C4' DA 6 F 1 +ATOM 1068 O O4' DA 8 . . D 2 31.749 72.009 -30.415 1 49.45 ? O4' DA 6 F 1 +ATOM 1069 C C3' DA 8 . . D 2 30.829 74.166 -30.296 1 47.93 ? C3' DA 6 F 1 +ATOM 1070 O O3' DA 8 . . D 2 30.318 74.255 -31.642 1 53.68 ? O3' DA 6 F 1 +ATOM 1071 C C2' DA 8 . . D 2 30.033 73.228 -29.398 1 47.48 ? C2' DA 6 F 1 +ATOM 1072 C C1' DA 8 . . D 2 30.399 71.884 -29.994 1 53.11 ? C1' DA 6 F 1 +ATOM 1073 N N9 DA 8 . . D 2 30.361 70.722 -29.116 1 51.97 ? N9 DA 6 F 1 +ATOM 1074 C C8 DA 8 . . D 2 30.682 70.603 -27.79 1 42.75 ? C8 DA 6 F 1 +ATOM 1075 N N7 DA 8 . . D 2 30.56 69.386 -27.331 1 47.98 ? N7 DA 6 F 1 +ATOM 1076 C C5 DA 8 . . D 2 30.124 68.657 -28.434 1 53.16 ? C5 DA 6 F 1 +ATOM 1077 C C6 DA 8 . . D 2 29.817 67.295 -28.615 1 55 ? C6 DA 6 F 1 +ATOM 1078 N N6 DA 8 . . D 2 29.913 66.396 -27.634 1 55 ? N6 DA 6 F 1 +ATOM 1079 N N1 DA 8 . . D 2 29.407 66.886 -29.851 1 52.93 ? N1 DA 6 F 1 +ATOM 1080 C C2 DA 8 . . D 2 29.322 67.794 -30.821 1 44.78 ? C2 DA 6 F 1 +ATOM 1081 N N3 DA 8 . . D 2 29.59 69.102 -30.771 1 54.97 ? N3 DA 6 F 1 +ATOM 1082 C C4 DA 8 . . D 2 29.99 69.469 -29.533 1 53.44 ? C4 DA 6 F 1 +ATOM 1083 P P DC 9 . . D 2 29.468 75.536 -32.143 1 46.67 ? P DC 5 F 1 +ATOM 1084 O OP1 DC 9 . . D 2 30.257 75.987 -33.325 1 50.45 ? OP1 DC 5 F 1 +ATOM 1085 O OP2 DC 9 . . D 2 29.119 76.521 -31.047 1 49.02 ? OP2 DC 5 F 1 +ATOM 1086 O O5' DC 9 . . D 2 28.13 74.833 -32.651 1 41.87 ? O5' DC 5 F 1 +ATOM 1087 C C5' DC 9 . . D 2 28.21 73.631 -33.429 1 45.32 ? C5' DC 5 F 1 +ATOM 1088 C C4' DC 9 . . D 2 26.855 72.979 -33.548 1 42.97 ? C4' DC 5 F 1 +ATOM 1089 O O4' DC 9 . . D 2 26.819 71.829 -32.685 1 49.2 ? O4' DC 5 F 1 +ATOM 1090 C C3' DC 9 . . D 2 25.672 73.85 -33.143 1 42.69 ? C3' DC 5 F 1 +ATOM 1091 O O3' DC 9 . . D 2 24.552 73.544 -34.01 1 50.45 ? O3' DC 5 F 1 +ATOM 1092 C C2' DC 9 . . D 2 25.412 73.42 -31.696 1 44.72 ? C2' DC 5 F 1 +ATOM 1093 C C1' DC 9 . . D 2 25.736 71.926 -31.738 1 50.94 ? C1' DC 5 F 1 +ATOM 1094 N N1 DC 9 . . D 2 26.172 71.245 -30.469 1 46.13 ? N1 DC 5 F 1 +ATOM 1095 C C2 DC 9 . . D 2 26.309 69.818 -30.451 1 51.37 ? C2 DC 5 F 1 +ATOM 1096 O O2 DC 9 . . D 2 26.042 69.165 -31.466 1 53.46 ? O2 DC 5 F 1 +ATOM 1097 N N3 DC 9 . . D 2 26.727 69.192 -29.32 1 54.36 ? N3 DC 5 F 1 +ATOM 1098 C C4 DC 9 . . D 2 27 69.907 -28.228 1 54.99 ? C4 DC 5 F 1 +ATOM 1099 N N4 DC 9 . . D 2 27.414 69.243 -27.139 1 46.19 ? N4 DC 5 F 1 +ATOM 1100 C C5 DC 9 . . D 2 26.863 71.338 -28.204 1 52.13 ? C5 DC 5 F 1 +ATOM 1101 C C6 DC 9 . . D 2 26.449 71.958 -29.335 1 49.39 ? C6 DC 5 F 1 +ATOM 1102 P P DA 10 . . D 2 24.433 74.19 -35.511 1 45.95 ? P DA 4 F 1 +ATOM 1103 O OP1 DA 10 . . D 2 25.683 74.053 -36.303 1 34.48 ? OP1 DA 4 F 1 +ATOM 1104 O OP2 DA 10 . . D 2 23.812 75.534 -35.333 1 39.41 ? OP2 DA 4 F 1 +ATOM 1105 O O5' DA 10 . . D 2 23.388 73.213 -36.229 1 42.5 ? O5' DA 4 F 1 +ATOM 1106 C C5' DA 10 . . D 2 23.835 72.267 -37.213 1 38.52 ? C5' DA 4 F 1 +ATOM 1107 C C4' DA 10 . . D 2 23.231 70.892 -36.991 1 35.99 ? C4' DA 4 F 1 +ATOM 1108 O O4' DA 10 . . D 2 23.53 70.482 -35.643 1 37.73 ? O4' DA 4 F 1 +ATOM 1109 C C3' DA 10 . . D 2 21.723 70.673 -37.2 1 35.99 ? C3' DA 4 F 1 +ATOM 1110 O O3' DA 10 . . D 2 21.567 69.482 -38.026 1 35.44 ? O3' DA 4 F 1 +ATOM 1111 C C2' DA 10 . . D 2 21.18 70.516 -35.785 1 33.37 ? C2' DA 4 F 1 +ATOM 1112 C C1' DA 10 . . D 2 22.375 70.004 -34.966 1 38.01 ? C1' DA 4 F 1 +ATOM 1113 N N9 DA 10 . . D 2 22.524 70.426 -33.556 1 38.99 ? N9 DA 4 F 1 +ATOM 1114 C C8 DA 10 . . D 2 22.369 71.682 -33.021 1 43.06 ? C8 DA 4 F 1 +ATOM 1115 N N7 DA 10 . . D 2 22.607 71.748 -31.718 1 42.94 ? N7 DA 4 F 1 +ATOM 1116 C C5 DA 10 . . D 2 22.936 70.456 -31.37 1 44.85 ? C5 DA 4 F 1 +ATOM 1117 C C6 DA 10 . . D 2 23.314 69.859 -30.12 1 47.21 ? C6 DA 4 F 1 +ATOM 1118 N N6 DA 10 . . D 2 23.425 70.512 -28.951 1 39.79 ? N6 DA 4 F 1 +ATOM 1119 N N1 DA 10 . . D 2 23.58 68.533 -30.121 1 47.12 ? N1 DA 4 F 1 +ATOM 1120 C C2 DA 10 . . D 2 23.469 67.861 -31.305 1 47.74 ? C2 DA 4 F 1 +ATOM 1121 N N3 DA 10 . . D 2 23.13 68.307 -32.522 1 40.17 ? N3 DA 4 F 1 +ATOM 1122 C C4 DA 10 . . D 2 22.878 69.62 -32.491 1 44.31 ? C4 DA 4 F 1 +ATOM 1123 P P DC 11 . . D 2 20.095 68.958 -38.513 1 47.89 ? P DC 3 F 1 +ATOM 1124 O OP1 DC 11 . . D 2 20.241 68.29 -39.818 1 36.78 ? OP1 DC 3 F 1 +ATOM 1125 O OP2 DC 11 . . D 2 19.014 69.985 -38.333 1 39.32 ? OP2 DC 3 F 1 +ATOM 1126 O O5' DC 11 . . D 2 19.816 67.764 -37.506 1 45.4 ? O5' DC 3 F 1 +ATOM 1127 C C5' DC 11 . . D 2 20.904 67.079 -36.902 1 41.57 ? C5' DC 3 F 1 +ATOM 1128 C C4' DC 11 . . D 2 20.377 66.265 -35.761 1 39.86 ? C4' DC 3 F 1 +ATOM 1129 O O4' DC 11 . . D 2 20.571 67.009 -34.539 1 38.8 ? O4' DC 3 F 1 +ATOM 1130 C C3' DC 11 . . D 2 18.867 66.061 -35.924 1 38.18 ? C3' DC 3 F 1 +ATOM 1131 O O3' DC 11 . . D 2 18.538 64.677 -35.799 1 41.93 ? O3' DC 3 F 1 +ATOM 1132 C C2' DC 11 . . D 2 18.252 66.909 -34.824 1 34.44 ? C2' DC 3 F 1 +ATOM 1133 C C1' DC 11 . . D 2 19.36 66.955 -33.78 1 44.33 ? C1' DC 3 F 1 +ATOM 1134 N N1 DC 11 . . D 2 19.335 68.103 -32.828 1 44.31 ? N1 DC 3 F 1 +ATOM 1135 C C2 DC 11 . . D 2 19.13 67.874 -31.472 1 36.7 ? C2 DC 3 F 1 +ATOM 1136 O O2 DC 11 . . D 2 18.968 66.738 -31.036 1 32.6 ? O2 DC 3 F 1 +ATOM 1137 N N3 DC 11 . . D 2 19.122 68.905 -30.647 1 37.26 ? N3 DC 3 F 1 +ATOM 1138 C C4 DC 11 . . D 2 19.315 70.137 -31.089 1 35.75 ? C4 DC 3 F 1 +ATOM 1139 N N4 DC 11 . . D 2 19.324 71.093 -30.184 1 38.64 ? N4 DC 3 F 1 +ATOM 1140 C C5 DC 11 . . D 2 19.512 70.419 -32.437 1 37.1 ? C5 DC 3 F 1 +ATOM 1141 C C6 DC 11 . . D 2 19.516 69.381 -33.275 1 46.31 ? C6 DC 3 F 1 +ATOM 1142 P P DT 12 . . D 2 16.998 64.236 -35.654 1 50.71 ? P DT 2 F 1 +ATOM 1143 O OP1 DT 12 . . D 2 16.766 62.963 -36.394 1 53.39 ? OP1 DT 2 F 1 +ATOM 1144 O OP2 DT 12 . . D 2 16.169 65.423 -35.958 1 48.71 ? OP2 DT 2 F 1 +ATOM 1145 O O5' DT 12 . . D 2 16.793 63.922 -34.088 1 55 ? O5' DT 2 F 1 +ATOM 1146 C C5' DT 12 . . D 2 17.625 62.959 -33.412 1 45.84 ? C5' DT 2 F 1 +ATOM 1147 C C4' DT 12 . . D 2 17.117 62.673 -32.016 1 42.4 ? C4' DT 2 F 1 +ATOM 1148 O O4' DT 12 . . D 2 17.342 63.812 -31.161 1 41.36 ? O4' DT 2 F 1 +ATOM 1149 C C3' DT 12 . . D 2 15.64 62.293 -31.869 1 43.22 ? C3' DT 2 F 1 +ATOM 1150 O O3' DT 12 . . D 2 15.595 61.14 -30.989 1 31.01 ? O3' DT 2 F 1 +ATOM 1151 C C2' DT 12 . . D 2 15.006 63.56 -31.304 1 37.22 ? C2' DT 2 F 1 +ATOM 1152 C C1' DT 12 . . D 2 16.144 64.164 -30.494 1 42.95 ? C1' DT 2 F 1 +ATOM 1153 N N1 DT 12 . . D 2 16.141 65.626 -30.366 1 40.49 ? N1 DT 2 F 1 +ATOM 1154 C C2 DT 12 . . D 2 16.151 66.163 -29.115 1 43.06 ? C2 DT 2 F 1 +ATOM 1155 O O2 DT 12 . . D 2 16.173 65.484 -28.112 1 47.23 ? O2 DT 2 F 1 +ATOM 1156 N N3 DT 12 . . D 2 16.142 67.531 -29.071 1 46.85 ? N3 DT 2 F 1 +ATOM 1157 C C4 DT 12 . . D 2 16.132 68.391 -30.137 1 48.2 ? C4 DT 2 F 1 +ATOM 1158 O O4 DT 12 . . D 2 16.113 69.595 -29.945 1 43.15 ? O4 DT 2 F 1 +ATOM 1159 C C5 DT 12 . . D 2 16.141 67.755 -31.433 1 48.16 ? C5 DT 2 F 1 +ATOM 1160 C C7 DT 12 . . D 2 16.164 68.603 -32.665 1 53.06 ? C7 DT 2 F 1 +ATOM 1161 C C6 DT 12 . . D 2 16.134 66.42 -31.478 1 43.85 ? C6 DT 2 F 1 +ATOM 1162 P P DT 13 . . D 2 14.211 60.367 -30.683 1 37.37 ? P DT 1 F 1 +ATOM 1163 O OP1 DT 13 . . D 2 14.67 58.976 -30.506 1 37.79 ? OP1 DT 1 F 1 +ATOM 1164 O OP2 DT 13 . . D 2 13.087 60.673 -31.585 1 41.13 ? OP2 DT 1 F 1 +ATOM 1165 O O5' DT 13 . . D 2 13.816 60.894 -29.251 1 39.3 ? O5' DT 1 F 1 +ATOM 1166 C C5' DT 13 . . D 2 14.78 60.741 -28.217 1 44.59 ? C5' DT 1 F 1 +ATOM 1167 C C4' DT 13 . . D 2 14.428 61.566 -27.007 1 43.29 ? C4' DT 1 F 1 +ATOM 1168 O O4' DT 13 . . D 2 14.473 62.95 -27.389 1 40.87 ? O4' DT 1 F 1 +ATOM 1169 C C3' DT 13 . . D 2 13.051 61.303 -26.387 1 35.48 ? C3' DT 1 F 1 +ATOM 1170 O O3' DT 13 . . D 2 13.27 60.727 -25.087 1 27.2 ? O3' DT 1 F 1 +ATOM 1171 C C2' DT 13 . . D 2 12.371 62.674 -26.395 1 38.9 ? C2' DT 1 F 1 +ATOM 1172 C C1' DT 13 . . D 2 13.505 63.655 -26.648 1 39.45 ? C1' DT 1 F 1 +ATOM 1173 N N1 DT 13 . . D 2 13.227 64.908 -27.39 1 45.13 ? N1 DT 1 F 1 +ATOM 1174 C C2 DT 13 . . D 2 12.983 66.063 -26.645 1 47.04 ? C2 DT 1 F 1 +ATOM 1175 O O2 DT 13 . . D 2 12.954 66.077 -25.422 1 45.09 ? O2 DT 1 F 1 +ATOM 1176 N N3 DT 13 . . D 2 12.777 67.215 -27.393 1 48.66 ? N3 DT 1 F 1 +ATOM 1177 C C4 DT 13 . . D 2 12.788 67.338 -28.778 1 45.61 ? C4 DT 1 F 1 +ATOM 1178 O O4 DT 13 . . D 2 12.612 68.462 -29.282 1 42.66 ? O4 DT 1 F 1 +ATOM 1179 C C5 DT 13 . . D 2 13.029 66.055 -29.519 1 46.36 ? C5 DT 1 F 1 +ATOM 1180 C C7 DT 13 . . D 2 13.038 66.047 -31.023 1 32.8 ? C7 DT 1 F 1 +ATOM 1181 C C6 DT 13 . . D 2 13.23 64.933 -28.786 1 42.1 ? C6 DT 1 F 1 +ATOM 1182 P P DT 14 . . D 2 12.041 60.373 -24.103 1 29.86 ? P DT -1 F 1 +ATOM 1183 O OP1 DT 14 . . D 2 12.653 59.369 -23.228 1 32.32 ? OP1 DT -1 F 1 +ATOM 1184 O OP2 DT 14 . . D 2 10.742 60.052 -24.723 1 26.97 ? OP2 DT -1 F 1 +ATOM 1185 O O5' DT 14 . . D 2 11.836 61.724 -23.286 1 29.26 ? O5' DT -1 F 1 +ATOM 1186 C C5' DT 14 . . D 2 12.94 62.296 -22.597 1 26.87 ? C5' DT -1 F 1 +ATOM 1187 C C4' DT 14 . . D 2 12.53 63.513 -21.795 1 34.36 ? C4' DT -1 F 1 +ATOM 1188 O O4' DT 14 . . D 2 12.483 64.727 -22.577 1 33.07 ? O4' DT -1 F 1 +ATOM 1189 C C3' DT 14 . . D 2 11.238 63.454 -20.975 1 25.9 ? C3' DT -1 F 1 +ATOM 1190 O O3' DT 14 . . D 2 11.638 63.91 -19.689 1 29.62 ? O3' DT -1 F 1 +ATOM 1191 C C2' DT 14 . . D 2 10.336 64.462 -21.654 1 26.94 ? C2' DT -1 F 1 +ATOM 1192 C C1' DT 14 . . D 2 11.327 65.492 -22.217 1 37 ? C1' DT -1 F 1 +ATOM 1193 N N1 DT 14 . . D 2 10.823 66.158 -23.458 1 39.62 ? N1 DT -1 F 1 +ATOM 1194 C C2 DT 14 . . D 2 10.977 67.524 -23.72 1 31.97 ? C2 DT -1 F 1 +ATOM 1195 O O2 DT 14 . . D 2 11.529 68.329 -23.004 1 23.3 ? O2 DT -1 F 1 +ATOM 1196 N N3 DT 14 . . D 2 10.44 67.908 -24.903 1 38.09 ? N3 DT -1 F 1 +ATOM 1197 C C4 DT 14 . . D 2 9.791 67.126 -25.835 1 36.94 ? C4 DT -1 F 1 +ATOM 1198 O O4 DT 14 . . D 2 9.379 67.645 -26.859 1 43.13 ? O4 DT -1 F 1 +ATOM 1199 C C5 DT 14 . . D 2 9.666 65.742 -25.503 1 33.31 ? C5 DT -1 F 1 +ATOM 1200 C C7 DT 14 . . D 2 8.969 64.811 -26.435 1 33.24 ? C7 DT -1 F 1 +ATOM 1201 C C6 DT 14 . . D 2 10.18 65.338 -24.359 1 39.53 ? C6 DT -1 F 1 +ATOM 1202 P P DT 15 . . D 2 10.635 63.887 -18.449 1 33.08 ? P DT -2 F 1 +ATOM 1203 O OP1 DT 15 . . D 2 11.466 63.544 -17.268 1 35.7 ? OP1 DT -2 F 1 +ATOM 1204 O OP2 DT 15 . . D 2 9.448 63.059 -18.777 1 22.39 ? OP2 DT -2 F 1 +ATOM 1205 O O5' DT 15 . . D 2 10.324 65.44 -18.32 1 39.52 ? O5' DT -2 F 1 +ATOM 1206 C C5' DT 15 . . D 2 11.407 66.369 -18.33 1 37.29 ? C5' DT -2 F 1 +ATOM 1207 C C4' DT 15 . . D 2 10.894 67.779 -18.48 1 38.91 ? C4' DT -2 F 1 +ATOM 1208 O O4' DT 15 . . D 2 10.477 68.026 -19.835 1 37.89 ? O4' DT -2 F 1 +ATOM 1209 C C3' DT 15 . . D 2 9.705 68.158 -17.602 1 35.31 ? C3' DT -2 F 1 +ATOM 1210 O O3' DT 15 . . D 2 10.103 69.353 -16.945 1 37.19 ? O3' DT -2 F 1 +ATOM 1211 C C2' DT 15 . . D 2 8.556 68.387 -18.593 1 32.7 ? C2' DT -2 F 1 +ATOM 1212 C C1' DT 15 . . D 2 9.26 68.79 -19.87 1 29.02 ? C1' DT -2 F 1 +ATOM 1213 N N1 DT 15 . . D 2 8.613 68.484 -21.196 1 33.93 ? N1 DT -2 F 1 +ATOM 1214 C C2 DT 15 . . D 2 8.593 69.436 -22.228 1 26.19 ? C2 DT -2 F 1 +ATOM 1215 O O2 DT 15 . . D 2 9.008 70.557 -22.115 1 19.7 ? O2 DT -2 F 1 +ATOM 1216 N N3 DT 15 . . D 2 8.041 68.994 -23.399 1 28.92 ? N3 DT -2 F 1 +ATOM 1217 C C4 DT 15 . . D 2 7.494 67.749 -23.642 1 35.65 ? C4 DT -2 F 1 +ATOM 1218 O O4 DT 15 . . D 2 7.04 67.503 -24.734 1 36.13 ? O4 DT -2 F 1 +ATOM 1219 C C5 DT 15 . . D 2 7.518 66.826 -22.522 1 39.74 ? C5 DT -2 F 1 +ATOM 1220 C C7 DT 15 . . D 2 6.937 65.459 -22.67 1 41.57 ? C7 DT -2 F 1 +ATOM 1221 C C6 DT 15 . . D 2 8.067 67.234 -21.381 1 40.75 ? C6 DT -2 F 1 +ATOM 1222 P P DC 16 . . D 2 9.409 69.808 -15.583 1 39.34 ? P DC -3 F 1 +ATOM 1223 O OP1 DC 16 . . D 2 10.513 70.651 -15.056 1 35.77 ? OP1 DC -3 F 1 +ATOM 1224 O OP2 DC 16 . . D 2 8.834 68.721 -14.741 1 37.47 ? OP2 DC -3 F 1 +ATOM 1225 O O5' DC 16 . . D 2 8.205 70.704 -16.113 1 41.02 ? O5' DC -3 F 1 +ATOM 1226 C C5' DC 16 . . D 2 8.456 71.848 -16.926 1 42.31 ? C5' DC -3 F 1 +ATOM 1227 C C4' DC 16 . . D 2 7.165 72.565 -17.188 1 40.83 ? C4' DC -3 F 1 +ATOM 1228 O O4' DC 16 . . D 2 6.615 71.941 -18.376 1 45.26 ? O4' DC -3 F 1 +ATOM 1229 C C3' DC 16 . . D 2 6.163 72.309 -16.059 1 44.39 ? C3' DC -3 F 1 +ATOM 1230 O O3' DC 16 . . D 2 5.201 73.377 -15.861 1 50.43 ? O3' DC -3 F 1 +ATOM 1231 C C2' DC 16 . . D 2 5.394 71.111 -16.6 1 48.55 ? C2' DC -3 F 1 +ATOM 1232 C C1' DC 16 . . D 2 5.306 71.474 -18.084 1 44.37 ? C1' DC -3 F 1 +ATOM 1233 N N1 DC 16 . . D 2 4.941 70.361 -19.023 1 45.6 ? N1 DC -3 F 1 +ATOM 1234 C C2 DC 16 . . D 2 4.582 70.63 -20.387 1 40.09 ? C2 DC -3 F 1 +ATOM 1235 O O2 DC 16 . . D 2 4.556 71.8 -20.817 1 41.42 ? O2 DC -3 F 1 +ATOM 1236 N N3 DC 16 . . D 2 4.266 69.59 -21.19 1 40.43 ? N3 DC -3 F 1 +ATOM 1237 C C4 DC 16 . . D 2 4.284 68.349 -20.717 1 36.71 ? C4 DC -3 F 1 +ATOM 1238 N N4 DC 16 . . D 2 3.971 67.366 -21.539 1 43.96 ? N4 DC -3 F 1 +ATOM 1239 C C5 DC 16 . . D 2 4.626 68.055 -19.382 1 42.37 ? C5 DC -3 F 1 +ATOM 1240 C C6 DC 16 . . D 2 4.945 69.071 -18.575 1 45.7 ? C6 DC -3 F 1 +ATOM 1241 P P DG 17 . . D 2 5.671 74.894 -15.672 1 43.19 ? P DG -4 F 1 +ATOM 1242 O OP1 DG 17 . . D 2 6.963 75.115 -16.35 1 40.81 ? OP1 DG -4 F 1 +ATOM 1243 O OP2 DG 17 . . D 2 5.511 75.198 -14.236 1 39.21 ? OP2 DG -4 F 1 +ATOM 1244 O O5' DG 17 . . D 2 4.607 75.755 -16.475 1 38.47 ? O5' DG -4 F 1 +ATOM 1245 C C5' DG 17 . . D 2 5.04 76.541 -17.577 1 43.61 ? C5' DG -4 F 1 +ATOM 1246 C C4' DG 17 . . D 2 3.874 76.885 -18.474 1 38.71 ? C4' DG -4 F 1 +ATOM 1247 O O4' DG 17 . . D 2 3.402 75.699 -19.149 1 44.69 ? O4' DG -4 F 1 +ATOM 1248 C C3' DG 17 . . D 2 2.662 77.369 -17.7 1 37.32 ? C3' DG -4 F 1 +ATOM 1249 O O3' DG 17 . . D 2 1.877 77.912 -18.773 1 24.26 ? O3' DG -4 F 1 +ATOM 1250 C C2' DG 17 . . D 2 2.082 76.041 -17.251 1 37.46 ? C2' DG -4 F 1 +ATOM 1251 C C1' DG 17 . . D 2 2.116 75.375 -18.604 1 41.04 ? C1' DG -4 F 1 +ATOM 1252 N N9 DG 17 . . D 2 1.925 73.926 -18.685 1 40.79 ? N9 DG -4 F 1 +ATOM 1253 C C8 DG 17 . . D 2 2.1 72.965 -17.731 1 36.59 ? C8 DG -4 F 1 +ATOM 1254 N N7 DG 17 . . D 2 1.858 71.766 -18.176 1 36.33 ? N7 DG -4 F 1 +ATOM 1255 C C5 DG 17 . . D 2 1.494 71.953 -19.497 1 41.94 ? C5 DG -4 F 1 +ATOM 1256 C C6 DG 17 . . D 2 1.145 71.023 -20.505 1 45.23 ? C6 DG -4 F 1 +ATOM 1257 O O6 DG 17 . . D 2 1.038 69.8 -20.42 1 51.56 ? O6 DG -4 F 1 +ATOM 1258 N N1 DG 17 . . D 2 0.898 71.652 -21.726 1 44.14 ? N1 DG -4 F 1 +ATOM 1259 C C2 DG 17 . . D 2 0.961 73.005 -21.946 1 44.21 ? C2 DG -4 F 1 +ATOM 1260 N N2 DG 17 . . D 2 0.703 73.449 -23.193 1 43.56 ? N2 DG -4 F 1 +ATOM 1261 N N3 DG 17 . . D 2 1.263 73.871 -21.012 1 48.86 ? N3 DG -4 F 1 +ATOM 1262 C C4 DG 17 . . D 2 1.523 73.279 -19.822 1 43.52 ? C4 DG -4 F 1 +ATOM 1263 N N PRO 9 . . E 3 2.133 51.592 15.835 1 51.36 ? N PRO 9 A 1 +ATOM 1264 C CA PRO 9 . . E 3 3.6 51.747 16.013 1 51.53 ? CA PRO 9 A 1 +ATOM 1265 C C PRO 9 . . E 3 3.942 53.171 16.474 1 47.65 ? C PRO 9 A 1 +ATOM 1266 O O PRO 9 . . E 3 3.141 54.09 16.286 1 45.67 ? O PRO 9 A 1 +ATOM 1267 C CB PRO 9 . . E 3 4.208 51.395 14.66 1 53.62 ? CB PRO 9 A 1 +ATOM 1268 C CG PRO 9 . . E 3 3.317 50.225 14.266 1 46.46 ? CG PRO 9 A 1 +ATOM 1269 C CD PRO 9 . . E 3 1.908 50.764 14.615 1 51.33 ? CD PRO 9 A 1 +ATOM 1270 N N THR 10 . . E 3 5.127 53.369 17.041 1 46.94 ? N THR 10 A 1 +ATOM 1271 C CA THR 10 . . E 3 5.474 54.683 17.538 1 45.64 ? CA THR 10 A 1 +ATOM 1272 C C THR 10 . . E 3 6.099 55.589 16.5 1 47.57 ? C THR 10 A 1 +ATOM 1273 O O THR 10 . . E 3 6.521 56.7 16.842 1 50.08 ? O THR 10 A 1 +ATOM 1274 C CB THR 10 . . E 3 6.426 54.574 18.733 1 44.04 ? CB THR 10 A 1 +ATOM 1275 O OG1 THR 10 . . E 3 7.592 53.82 18.382 1 49.75 ? OG1 THR 10 A 1 +ATOM 1276 C CG2 THR 10 . . E 3 5.694 53.904 19.886 1 50.67 ? CG2 THR 10 A 1 +ATOM 1277 N N LEU 11 . . E 3 6.175 55.148 15.243 1 46.46 ? N LEU 11 A 1 +ATOM 1278 C CA LEU 11 . . E 3 6.693 56.06 14.236 1 45.92 ? CA LEU 11 A 1 +ATOM 1279 C C LEU 11 . . E 3 5.674 57.172 14.21 1 48.19 ? C LEU 11 A 1 +ATOM 1280 O O LEU 11 . . E 3 6.018 58.334 14.108 1 53.63 ? O LEU 11 A 1 +ATOM 1281 C CB LEU 11 . . E 3 6.748 55.448 12.848 1 40.81 ? CB LEU 11 A 1 +ATOM 1282 C CG LEU 11 . . E 3 7.149 53.988 12.77 1 49.49 ? CG LEU 11 A 1 +ATOM 1283 C CD1 LEU 11 . . E 3 5.858 53.214 12.714 1 48.62 ? CD1 LEU 11 A 1 +ATOM 1284 C CD2 LEU 11 . . E 3 7.965 53.656 11.529 1 41.29 ? CD2 LEU 11 A 1 +ATOM 1285 N N GLU 12 . . E 3 4.4 56.798 14.329 1 50.85 ? N GLU 12 A 1 +ATOM 1286 C CA GLU 12 . . E 3 3.323 57.779 14.333 1 49.39 ? CA GLU 12 A 1 +ATOM 1287 C C GLU 12 . . E 3 3.464 58.617 15.594 1 48.42 ? C GLU 12 A 1 +ATOM 1288 O O GLU 12 . . E 3 3.225 59.827 15.559 1 49.37 ? O GLU 12 A 1 +ATOM 1289 C CB GLU 12 . . E 3 1.938 57.119 14.341 1 45.68 ? CB GLU 12 A 1 +ATOM 1290 C CG GLU 12 . . E 3 1.673 56.066 13.283 1 50.07 ? CG GLU 12 A 1 +ATOM 1291 C CD GLU 12 . . E 3 2.09 54.67 13.73 1 53.41 ? CD GLU 12 A 1 +ATOM 1292 O OE1 GLU 12 . . E 3 1.184 53.844 14.003 1 55 ? OE1 GLU 12 A 1 +ATOM 1293 O OE2 GLU 12 . . E 3 3.31 54.397 13.809 1 44.63 ? OE2 GLU 12 A 1 +ATOM 1294 N N TRP 13 . . E 3 3.839 57.968 16.704 1 45.38 ? N TRP 13 A 1 +ATOM 1295 C CA TRP 13 . . E 3 4.074 58.684 17.957 1 43.86 ? CA TRP 13 A 1 +ATOM 1296 C C TRP 13 . . E 3 5.007 59.848 17.597 1 45.13 ? C TRP 13 A 1 +ATOM 1297 O O TRP 13 . . E 3 4.818 61.022 17.981 1 39.27 ? O TRP 13 A 1 +ATOM 1298 C CB TRP 13 . . E 3 4.753 57.763 18.998 1 39.96 ? CB TRP 13 A 1 +ATOM 1299 C CG TRP 13 . . E 3 5.078 58.541 20.211 1 36.61 ? CG TRP 13 A 1 +ATOM 1300 C CD1 TRP 13 . . E 3 4.186 59.088 21.082 1 29.86 ? CD1 TRP 13 A 1 +ATOM 1301 C CD2 TRP 13 . . E 3 6.38 58.964 20.64 1 32.23 ? CD2 TRP 13 A 1 +ATOM 1302 N NE1 TRP 13 . . E 3 4.851 59.837 22.007 1 36.47 ? NE1 TRP 13 A 1 +ATOM 1303 C CE2 TRP 13 . . E 3 6.199 59.778 21.758 1 33.72 ? CE2 TRP 13 A 1 +ATOM 1304 C CE3 TRP 13 . . E 3 7.681 58.74 20.173 1 36.93 ? CE3 TRP 13 A 1 +ATOM 1305 C CZ2 TRP 13 . . E 3 7.274 60.372 22.43 1 38.16 ? CZ2 TRP 13 A 1 +ATOM 1306 C CZ3 TRP 13 . . E 3 8.75 59.329 20.837 1 34.21 ? CZ3 TRP 13 A 1 +ATOM 1307 C CH2 TRP 13 . . E 3 8.538 60.134 21.948 1 37.51 ? CH2 TRP 13 A 1 +ATOM 1308 N N PHE 14 . . E 3 6.008 59.469 16.811 1 45.34 ? N PHE 14 A 1 +ATOM 1309 C CA PHE 14 . . E 3 7.007 60.371 16.256 1 46.89 ? CA PHE 14 A 1 +ATOM 1310 C C PHE 14 . . E 3 6.349 61.489 15.381 1 43.87 ? C PHE 14 A 1 +ATOM 1311 O O PHE 14 . . E 3 6.315 62.645 15.809 1 42.96 ? O PHE 14 A 1 +ATOM 1312 C CB PHE 14 . . E 3 8.006 59.501 15.447 1 43.26 ? CB PHE 14 A 1 +ATOM 1313 C CG PHE 14 . . E 3 8.946 60.27 14.577 1 37.28 ? CG PHE 14 A 1 +ATOM 1314 C CD1 PHE 14 . . E 3 10.274 60.392 14.922 1 33.31 ? CD1 PHE 14 A 1 +ATOM 1315 C CD2 PHE 14 . . E 3 8.497 60.868 13.413 1 34.21 ? CD2 PHE 14 A 1 +ATOM 1316 C CE1 PHE 14 . . E 3 11.139 61.105 14.117 1 35.28 ? CE1 PHE 14 A 1 +ATOM 1317 C CE2 PHE 14 . . E 3 9.363 61.582 12.61 1 36.36 ? CE2 PHE 14 A 1 +ATOM 1318 C CZ PHE 14 . . E 3 10.688 61.701 12.967 1 28.58 ? CZ PHE 14 A 1 +ATOM 1319 N N LEU 15 . . E 3 5.818 61.161 14.197 1 36.46 ? N LEU 15 A 1 +ATOM 1320 C CA LEU 15 . . E 3 5.219 62.18 13.324 1 40.53 ? CA LEU 15 A 1 +ATOM 1321 C C LEU 15 . . E 3 4.239 63.082 14.101 1 39.5 ? C LEU 15 A 1 +ATOM 1322 O O LEU 15 . . E 3 4.209 64.303 13.927 1 35.01 ? O LEU 15 A 1 +ATOM 1323 C CB LEU 15 . . E 3 4.453 61.535 12.142 1 38.33 ? CB LEU 15 A 1 +ATOM 1324 C CG LEU 15 . . E 3 5.128 61.048 10.828 1 39.33 ? CG LEU 15 A 1 +ATOM 1325 C CD1 LEU 15 . . E 3 6.073 59.848 11.004 1 34.09 ? CD1 LEU 15 A 1 +ATOM 1326 C CD2 LEU 15 . . E 3 3.956 60.627 9.91 1 30 ? CD2 LEU 15 A 1 +ATOM 1327 N N SER 16 . . E 3 3.448 62.505 14.987 1 39.44 ? N SER 16 A 1 +ATOM 1328 C CA SER 16 . . E 3 2.518 63.328 15.727 1 41.31 ? CA SER 16 A 1 +ATOM 1329 C C SER 16 . . E 3 3.234 64.413 16.568 1 39.87 ? C SER 16 A 1 +ATOM 1330 O O SER 16 . . E 3 2.585 65.272 17.15 1 45.16 ? O SER 16 A 1 +ATOM 1331 C CB SER 16 . . E 3 1.662 62.395 16.601 1 46.58 ? CB SER 16 A 1 +ATOM 1332 O OG SER 16 . . E 3 2.422 61.481 17.397 1 49.64 ? OG SER 16 A 1 +ATOM 1333 N N HIS 17 . . E 3 4.567 64.357 16.612 1 39.83 ? N HIS 17 A 1 +ATOM 1334 C CA HIS 17 . . E 3 5.494 65.281 17.319 1 40.97 ? CA HIS 17 A 1 +ATOM 1335 C C HIS 17 . . E 3 6.246 66.135 16.299 1 41.79 ? C HIS 17 A 1 +ATOM 1336 O O HIS 17 . . E 3 6.967 67.087 16.627 1 35.53 ? O HIS 17 A 1 +ATOM 1337 C CB HIS 17 . . E 3 6.595 64.549 18.101 1 50.69 ? CB HIS 17 A 1 +ATOM 1338 C CG HIS 17 . . E 3 6.293 64.266 19.539 1 48.46 ? CG HIS 17 A 1 +ATOM 1339 N ND1 HIS 17 . . E 3 6.935 64.927 20.565 1 44.43 ? ND1 HIS 17 A 1 +ATOM 1340 C CD2 HIS 17 . . E 3 5.466 63.368 20.124 1 43.77 ? CD2 HIS 17 A 1 +ATOM 1341 C CE1 HIS 17 . . E 3 6.52 64.445 21.724 1 51.84 ? CE1 HIS 17 A 1 +ATOM 1342 N NE2 HIS 17 . . E 3 5.63 63.498 21.484 1 48.72 ? NE2 HIS 17 A 1 +ATOM 1343 N N CYS 18 . . E 3 6.161 65.677 15.068 1 40.25 ? N CYS 18 A 1 +ATOM 1344 C CA CYS 18 . . E 3 6.811 66.297 13.953 1 42.07 ? CA CYS 18 A 1 +ATOM 1345 C C CYS 18 . . E 3 5.923 67.302 13.279 1 45.28 ? C CYS 18 A 1 +ATOM 1346 O O CYS 18 . . E 3 4.756 67.489 13.635 1 47.68 ? O CYS 18 A 1 +ATOM 1347 C CB CYS 18 . . E 3 7.204 65.25 12.944 1 35.09 ? CB CYS 18 A 1 +ATOM 1348 S SG CYS 18 . . E 3 8.937 65.027 12.939 1 43.22 ? SG CYS 18 A 1 +ATOM 1349 N N HIS 19 . . E 3 6.508 67.928 12.268 1 48.59 ? N HIS 19 A 1 +ATOM 1350 C CA HIS 19 . . E 3 5.824 68.896 11.447 1 48.73 ? CA HIS 19 A 1 +ATOM 1351 C C HIS 19 . . E 3 6.272 68.764 9.993 1 46.16 ? C HIS 19 A 1 +ATOM 1352 O O HIS 19 . . E 3 7.434 69.021 9.612 1 34.73 ? O HIS 19 A 1 +ATOM 1353 C CB HIS 19 . . E 3 6.095 70.312 11.978 1 50.3 ? CB HIS 19 A 1 +ATOM 1354 C CG HIS 19 . . E 3 7.468 70.517 12.543 1 53.51 ? CG HIS 19 A 1 +ATOM 1355 N ND1 HIS 19 . . E 3 8.552 70.886 11.773 1 55 ? ND1 HIS 19 A 1 +ATOM 1356 C CD2 HIS 19 . . E 3 7.919 70.438 13.819 1 50.77 ? CD2 HIS 19 A 1 +ATOM 1357 C CE1 HIS 19 . . E 3 9.611 71.032 12.556 1 52.85 ? CE1 HIS 19 A 1 +ATOM 1358 N NE2 HIS 19 . . E 3 9.254 70.765 13.798 1 48.71 ? NE2 HIS 19 A 1 +ATOM 1359 N N ILE 20 . . E 3 5.29 68.311 9.22 1 37.32 ? N ILE 20 A 1 +ATOM 1360 C CA ILE 20 . . E 3 5.394 68.061 7.795 1 39.29 ? CA ILE 20 A 1 +ATOM 1361 C C ILE 20 . . E 3 5.763 69.335 7.001 1 41.39 ? C ILE 20 A 1 +ATOM 1362 O O ILE 20 . . E 3 5.781 70.441 7.549 1 37.73 ? O ILE 20 A 1 +ATOM 1363 C CB ILE 20 . . E 3 4.026 67.474 7.3 1 34.82 ? CB ILE 20 A 1 +ATOM 1364 C CG1 ILE 20 . . E 3 3.897 66.043 7.802 1 31.81 ? CG1 ILE 20 A 1 +ATOM 1365 C CG2 ILE 20 . . E 3 3.923 67.486 5.809 1 30.47 ? CG2 ILE 20 A 1 +ATOM 1366 C CD1 ILE 20 . . E 3 3.842 65.955 9.295 1 34.02 ? CD1 ILE 20 A 1 +ATOM 1367 N N HIS 21 . . E 3 6.095 69.137 5.726 1 43.94 ? N HIS 21 A 1 +ATOM 1368 C CA HIS 21 . . E 3 6.392 70.178 4.74 1 46.4 ? CA HIS 21 A 1 +ATOM 1369 C C HIS 21 . . E 3 6.383 69.559 3.345 1 43.38 ? C HIS 21 A 1 +ATOM 1370 O O HIS 21 . . E 3 6.986 68.518 3.103 1 48.89 ? O HIS 21 A 1 +ATOM 1371 C CB HIS 21 . . E 3 7.764 70.824 4.993 1 41.6 ? CB HIS 21 A 1 +ATOM 1372 C CG HIS 21 . . E 3 7.742 71.921 6.017 1 47.02 ? CG HIS 21 A 1 +ATOM 1373 N ND1 HIS 21 . . E 3 6.572 72.492 6.475 1 55 ? ND1 HIS 21 A 1 +ATOM 1374 C CD2 HIS 21 . . E 3 8.746 72.571 6.65 1 51.14 ? CD2 HIS 21 A 1 +ATOM 1375 C CE1 HIS 21 . . E 3 6.854 73.448 7.342 1 53.19 ? CE1 HIS 21 A 1 +ATOM 1376 N NE2 HIS 21 . . E 3 8.167 73.515 7.467 1 55 ? NE2 HIS 21 A 1 +ATOM 1377 N N LYS 22 . . E 3 5.636 70.198 2.454 1 42.96 ? N LYS 22 A 1 +ATOM 1378 C CA LYS 22 . . E 3 5.471 69.786 1.065 1 41.6 ? CA LYS 22 A 1 +ATOM 1379 C C LYS 22 . . E 3 6.516 70.492 0.188 1 40.47 ? C LYS 22 A 1 +ATOM 1380 O O LYS 22 . . E 3 6.629 71.729 0.228 1 39.52 ? O LYS 22 A 1 +ATOM 1381 C CB LYS 22 . . E 3 4.061 70.155 0.609 1 45.46 ? CB LYS 22 A 1 +ATOM 1382 C CG LYS 22 . . E 3 3.714 69.847 -0.848 1 46.46 ? CG LYS 22 A 1 +ATOM 1383 C CD LYS 22 . . E 3 2.393 70.536 -1.238 1 45.44 ? CD LYS 22 A 1 +ATOM 1384 C CE LYS 22 . . E 3 2.526 72.064 -1.438 1 44.76 ? CE LYS 22 A 1 +ATOM 1385 N NZ LYS 22 . . E 3 1.169 72.693 -1.504 1 48.13 ? NZ LYS 22 A 1 +ATOM 1386 N N TYR 23 . . E 3 7.281 69.698 -0.566 1 32.15 ? N TYR 23 A 1 +ATOM 1387 C CA TYR 23 . . E 3 8.305 70.188 -1.475 1 26.93 ? CA TYR 23 A 1 +ATOM 1388 C C TYR 23 . . E 3 7.986 69.795 -2.898 1 29.4 ? C TYR 23 A 1 +ATOM 1389 O O TYR 23 . . E 3 7.261 68.849 -3.11 1 40.19 ? O TYR 23 A 1 +ATOM 1390 C CB TYR 23 . . E 3 9.636 69.6 -1.147 1 35.11 ? CB TYR 23 A 1 +ATOM 1391 C CG TYR 23 . . E 3 10.246 70.141 0.081 1 46.49 ? CG TYR 23 A 1 +ATOM 1392 C CD1 TYR 23 . . E 3 10.549 69.297 1.133 1 48.26 ? CD1 TYR 23 A 1 +ATOM 1393 C CD2 TYR 23 . . E 3 10.575 71.487 0.178 1 41.35 ? CD2 TYR 23 A 1 +ATOM 1394 C CE1 TYR 23 . . E 3 11.173 69.768 2.253 1 47.73 ? CE1 TYR 23 A 1 +ATOM 1395 C CE2 TYR 23 . . E 3 11.198 71.97 1.293 1 45.86 ? CE2 TYR 23 A 1 +ATOM 1396 C CZ TYR 23 . . E 3 11.499 71.1 2.328 1 45.09 ? CZ TYR 23 A 1 +ATOM 1397 O OH TYR 23 . . E 3 12.158 71.538 3.447 1 54.73 ? OH TYR 23 A 1 +ATOM 1398 N N PRO 24 . . E 3 8.519 70.505 -3.892 1 28.77 ? N PRO 24 A 1 +ATOM 1399 C CA PRO 24 . . E 3 8.359 70.105 -5.284 1 32.12 ? CA PRO 24 A 1 +ATOM 1400 C C PRO 24 . . E 3 9.661 69.524 -5.85 1 37.05 ? C PRO 24 A 1 +ATOM 1401 O O PRO 24 . . E 3 10.722 69.687 -5.251 1 35.29 ? O PRO 24 A 1 +ATOM 1402 C CB PRO 24 . . E 3 7.907 71.396 -5.955 1 29.14 ? CB PRO 24 A 1 +ATOM 1403 C CG PRO 24 . . E 3 7.927 72.443 -4.811 1 25.38 ? CG PRO 24 A 1 +ATOM 1404 C CD PRO 24 . . E 3 8.971 71.906 -3.896 1 34.82 ? CD PRO 24 A 1 +ATOM 1405 N N SER 25 . . E 3 9.58 68.888 -7.023 1 35.44 ? N SER 25 A 1 +ATOM 1406 C CA SER 25 . . E 3 10.746 68.289 -7.69 1 36.35 ? CA SER 25 A 1 +ATOM 1407 C C SER 25 . . E 3 11.931 69.226 -7.728 1 34.98 ? C SER 25 A 1 +ATOM 1408 O O SER 25 . . E 3 11.78 70.419 -7.594 1 40.3 ? O SER 25 A 1 +ATOM 1409 C CB SER 25 . . E 3 10.446 67.919 -9.149 1 36.05 ? CB SER 25 A 1 +ATOM 1410 O OG SER 25 . . E 3 9.524 66.849 -9.298 1 38.54 ? OG SER 25 A 1 +ATOM 1411 N N LYS 26 . . E 3 13.11 68.652 -7.898 1 38.91 ? N LYS 26 A 1 +ATOM 1412 C CA LYS 26 . . E 3 14.361 69.379 -8.066 1 43.4 ? CA LYS 26 A 1 +ATOM 1413 C C LYS 26 . . E 3 14.684 70.381 -6.96 1 42.65 ? C LYS 26 A 1 +ATOM 1414 O O LYS 26 . . E 3 15.727 71.03 -7.032 1 44.39 ? O LYS 26 A 1 +ATOM 1415 C CB LYS 26 . . E 3 14.326 70.102 -9.419 1 48.32 ? CB LYS 26 A 1 +ATOM 1416 C CG LYS 26 . . E 3 13.773 69.185 -10.538 1 55 ? CG LYS 26 A 1 +ATOM 1417 C CD LYS 26 . . E 3 13.659 69.842 -11.912 1 55 ? CD LYS 26 A 1 +ATOM 1418 C CE LYS 26 . . E 3 12.983 68.907 -12.927 1 52.54 ? CE LYS 26 A 1 +ATOM 1419 N NZ LYS 26 . . E 3 11.515 68.689 -12.681 1 50.27 ? NZ LYS 26 A 1 +ATOM 1420 N N SER 27 . . E 3 13.842 70.518 -5.938 1 44.08 ? N SER 27 A 1 +ATOM 1421 C CA SER 27 . . E 3 14.147 71.491 -4.89 1 45.04 ? CA SER 27 A 1 +ATOM 1422 C C SER 27 . . E 3 15.132 70.934 -3.855 1 42.88 ? C SER 27 A 1 +ATOM 1423 O O SER 27 . . E 3 14.901 69.883 -3.271 1 48.86 ? O SER 27 A 1 +ATOM 1424 C CB SER 27 . . E 3 12.841 71.941 -4.193 1 48.09 ? CB SER 27 A 1 +ATOM 1425 O OG SER 27 . . E 3 12.187 70.914 -3.474 1 50.03 ? OG SER 27 A 1 +ATOM 1426 N N THR 28 . . E 3 16.234 71.652 -3.646 1 38.52 ? N THR 28 A 1 +ATOM 1427 C CA THR 28 . . E 3 17.302 71.277 -2.717 1 33.94 ? CA THR 28 A 1 +ATOM 1428 C C THR 28 . . E 3 16.951 71.447 -1.231 1 33.13 ? C THR 28 A 1 +ATOM 1429 O O THR 28 . . E 3 17.212 72.513 -0.654 1 25.29 ? O THR 28 A 1 +ATOM 1430 C CB THR 28 . . E 3 18.52 72.094 -3.033 1 24.84 ? CB THR 28 A 1 +ATOM 1431 O OG1 THR 28 . . E 3 18.094 73.307 -3.655 1 25.04 ? OG1 THR 28 A 1 +ATOM 1432 C CG2 THR 28 . . E 3 19.459 71.33 -3.988 1 36.26 ? CG2 THR 28 A 1 +ATOM 1433 N N LEU 29 . . E 3 16.406 70.376 -0.637 1 19.29 ? N LEU 29 A 1 +ATOM 1434 C CA LEU 29 . . E 3 15.966 70.32 0.747 1 13.31 ? CA LEU 29 A 1 +ATOM 1435 C C LEU 29 . . E 3 17.042 70.645 1.806 1 14.48 ? C LEU 29 A 1 +ATOM 1436 O O LEU 29 . . E 3 16.647 71.213 2.819 1 17.2 ? O LEU 29 A 1 +ATOM 1437 C CB LEU 29 . . E 3 15.39 68.945 1.007 1 10.9 ? CB LEU 29 A 1 +ATOM 1438 C CG LEU 29 . . E 3 14.463 68.503 -0.145 1 15.99 ? CG LEU 29 A 1 +ATOM 1439 C CD1 LEU 29 . . E 3 13.659 67.337 0.302 1 16.93 ? CD1 LEU 29 A 1 +ATOM 1440 C CD2 LEU 29 . . E 3 13.484 69.552 -0.501 1 21.7 ? CD2 LEU 29 A 1 +ATOM 1441 N N ILE 30 . . E 3 18.35 70.363 1.58 1 6.4 ? N ILE 30 A 1 +ATOM 1442 C CA ILE 30 . . E 3 19.481 70.651 2.529 1 6 ? CA ILE 30 A 1 +ATOM 1443 C C ILE 30 . . E 3 20.685 71.177 1.727 1 7.34 ? C ILE 30 A 1 +ATOM 1444 O O ILE 30 . . E 3 20.682 70.918 0.536 1 20.38 ? O ILE 30 A 1 +ATOM 1445 C CB ILE 30 . . E 3 19.889 69.335 3.292 1 7.78 ? CB ILE 30 A 1 +ATOM 1446 C CG1 ILE 30 . . E 3 18.765 68.949 4.218 1 6 ? CG1 ILE 30 A 1 +ATOM 1447 C CG2 ILE 30 . . E 3 21.148 69.512 4.092 1 6 ? CG2 ILE 30 A 1 +ATOM 1448 C CD1 ILE 30 . . E 3 18.97 67.594 4.806 1 18.06 ? CD1 ILE 30 A 1 +ATOM 1449 N N HIS 31 . . E 3 21.712 71.863 2.261 1 6 ? N HIS 31 A 1 +ATOM 1450 C CA HIS 31 . . E 3 22.828 72.336 1.367 1 6 ? CA HIS 31 A 1 +ATOM 1451 C C HIS 31 . . E 3 24.172 72.194 2.035 1 7.49 ? C HIS 31 A 1 +ATOM 1452 O O HIS 31 . . E 3 24.26 72.538 3.182 1 26.83 ? O HIS 31 A 1 +ATOM 1453 C CB HIS 31 . . E 3 22.624 73.788 1.009 1 23.36 ? CB HIS 31 A 1 +ATOM 1454 C CG HIS 31 . . E 3 21.309 74.073 0.361 1 28.04 ? CG HIS 31 A 1 +ATOM 1455 N ND1 HIS 31 . . E 3 20.107 73.878 1.006 1 29.13 ? ND1 HIS 31 A 1 +ATOM 1456 C CD2 HIS 31 . . E 3 21.007 74.543 -0.871 1 24.71 ? CD2 HIS 31 A 1 +ATOM 1457 C CE1 HIS 31 . . E 3 19.116 74.215 0.199 1 32.34 ? CE1 HIS 31 A 1 +ATOM 1458 N NE2 HIS 31 . . E 3 19.637 74.621 -0.947 1 33.23 ? NE2 HIS 31 A 1 +ATOM 1459 N N GLN 32 . . E 3 25.231 71.811 1.329 1 17.63 ? N GLN 32 A 1 +ATOM 1460 C CA GLN 32 . . E 3 26.532 71.427 1.956 1 25.34 ? CA GLN 32 A 1 +ATOM 1461 C C GLN 32 . . E 3 27.324 72.622 2.574 1 33.05 ? C GLN 32 A 1 +ATOM 1462 O O GLN 32 . . E 3 28.359 73.073 2.017 1 36.48 ? O GLN 32 A 1 +ATOM 1463 C CB GLN 32 . . E 3 27.485 70.752 0.948 1 22.58 ? CB GLN 32 A 1 +ATOM 1464 C CG GLN 32 . . E 3 28.828 70.391 1.59 1 19.58 ? CG GLN 32 A 1 +ATOM 1465 C CD GLN 32 . . E 3 29.864 69.858 0.642 1 33.4 ? CD GLN 32 A 1 +ATOM 1466 O OE1 GLN 32 . . E 3 29.568 69.203 -0.371 1 30.23 ? OE1 GLN 32 A 1 +ATOM 1467 N NE2 GLN 32 . . E 3 31.118 70.132 0.973 1 34.65 ? NE2 GLN 32 A 1 +ATOM 1468 N N GLY 33 . . E 3 26.924 73.052 3.775 1 43.34 ? N GLY 33 A 1 +ATOM 1469 C CA GLY 33 . . E 3 27.665 74.087 4.511 1 40.74 ? CA GLY 33 A 1 +ATOM 1470 C C GLY 33 . . E 3 26.95 74.577 5.773 1 36.94 ? C GLY 33 A 1 +ATOM 1471 O O GLY 33 . . E 3 27.582 74.917 6.789 1 38.11 ? O GLY 33 A 1 +ATOM 1472 N N GLU 34 . . E 3 25.622 74.583 5.685 1 30.01 ? N GLU 34 A 1 +ATOM 1473 C CA GLU 34 . . E 3 24.758 75.094 6.719 1 30.03 ? CA GLU 34 A 1 +ATOM 1474 C C GLU 34 . . E 3 24.793 74.245 7.942 1 35.11 ? C GLU 34 A 1 +ATOM 1475 O O GLU 34 . . E 3 25.306 73.137 7.881 1 39.63 ? O GLU 34 A 1 +ATOM 1476 C CB GLU 34 . . E 3 23.369 75.199 6.143 1 28.77 ? CB GLU 34 A 1 +ATOM 1477 C CG GLU 34 . . E 3 23.443 76.116 4.917 1 36.46 ? CG GLU 34 A 1 +ATOM 1478 C CD GLU 34 . . E 3 22.106 76.575 4.396 1 42.77 ? CD GLU 34 A 1 +ATOM 1479 O OE1 GLU 34 . . E 3 22.088 77.175 3.295 1 37.62 ? OE1 GLU 34 A 1 +ATOM 1480 O OE2 GLU 34 . . E 3 21.089 76.341 5.091 1 43.2 ? OE2 GLU 34 A 1 +ATOM 1481 N N LYS 35 . . E 3 24.295 74.786 9.056 1 26.7 ? N LYS 35 A 1 +ATOM 1482 C CA LYS 35 . . E 3 24.335 74.085 10.336 1 26.96 ? CA LYS 35 A 1 +ATOM 1483 C C LYS 35 . . E 3 23.241 73.049 10.512 1 32.69 ? C LYS 35 A 1 +ATOM 1484 O O LYS 35 . . E 3 22.077 73.331 10.24 1 37 ? O LYS 35 A 1 +ATOM 1485 C CB LYS 35 . . E 3 24.244 75.089 11.485 1 42.35 ? CB LYS 35 A 1 +ATOM 1486 C CG LYS 35 . . E 3 25.571 75.562 12.101 1 42.72 ? CG LYS 35 A 1 +ATOM 1487 C CD LYS 35 . . E 3 26.516 76.176 11.096 1 46.67 ? CD LYS 35 A 1 +ATOM 1488 C CE LYS 35 . . E 3 27.373 75.155 10.344 1 52.49 ? CE LYS 35 A 1 +ATOM 1489 N NZ LYS 35 . . E 3 28.418 74.537 11.25 1 55 ? NZ LYS 35 A 1 +ATOM 1490 N N ALA 36 . . E 3 23.628 71.851 10.964 1 33.84 ? N ALA 36 A 1 +ATOM 1491 C CA ALA 36 . . E 3 22.678 70.757 11.186 1 27.47 ? CA ALA 36 A 1 +ATOM 1492 C C ALA 36 . . E 3 22.014 70.968 12.555 1 24.01 ? C ALA 36 A 1 +ATOM 1493 O O ALA 36 . . E 3 22.718 71.151 13.551 1 6.55 ? O ALA 36 A 1 +ATOM 1494 C CB ALA 36 . . E 3 23.432 69.445 11.131 1 6 ? CB ALA 36 A 1 +ATOM 1495 N N GLU 37 . . E 3 20.676 70.898 12.601 1 24.57 ? N GLU 37 A 1 +ATOM 1496 C CA GLU 37 . . E 3 19.877 71.172 13.806 1 27.42 ? CA GLU 37 A 1 +ATOM 1497 C C GLU 37 . . E 3 18.461 70.57 13.745 1 31.32 ? C GLU 37 A 1 +ATOM 1498 O O GLU 37 . . E 3 17.75 70.582 14.751 1 37 ? O GLU 37 A 1 +ATOM 1499 C CB GLU 37 . . E 3 19.762 72.674 13.982 1 32.59 ? CB GLU 37 A 1 +ATOM 1500 C CG GLU 37 . . E 3 18.775 73.254 12.954 1 36.79 ? CG GLU 37 A 1 +ATOM 1501 C CD GLU 37 . . E 3 18.909 72.639 11.55 1 34.96 ? CD GLU 37 A 1 +ATOM 1502 O OE1 GLU 37 . . E 3 20.009 72.58 10.957 1 34.45 ? OE1 GLU 37 A 1 +ATOM 1503 O OE2 GLU 37 . . E 3 17.891 72.185 11.022 1 34.02 ? OE2 GLU 37 A 1 +ATOM 1504 N N THR 38 . . E 3 18.061 70.099 12.561 1 31.87 ? N THR 38 A 1 +ATOM 1505 C CA THR 38 . . E 3 16.763 69.45 12.254 1 27.46 ? CA THR 38 A 1 +ATOM 1506 C C THR 38 . . E 3 17.103 68.08 11.662 1 21.46 ? C THR 38 A 1 +ATOM 1507 O O THR 38 . . E 3 18.174 67.9 11.109 1 20.91 ? O THR 38 A 1 +ATOM 1508 C CB THR 38 . . E 3 15.916 70.235 11.17 1 33.31 ? CB THR 38 A 1 +ATOM 1509 O OG1 THR 38 . . E 3 15.691 71.56 11.632 1 36.18 ? OG1 THR 38 A 1 +ATOM 1510 C CG2 THR 38 . . E 3 14.556 69.61 10.933 1 39.15 ? CG2 THR 38 A 1 +ATOM 1511 N N LEU 39 . . E 3 16.175 67.149 11.736 1 14.76 ? N LEU 39 A 1 +ATOM 1512 C CA LEU 39 . . E 3 16.364 65.794 11.292 1 18.37 ? CA LEU 39 A 1 +ATOM 1513 C C LEU 39 . . E 3 15.127 65.494 10.543 1 23.98 ? C LEU 39 A 1 +ATOM 1514 O O LEU 39 . . E 3 14.094 65.347 11.161 1 30.72 ? O LEU 39 A 1 +ATOM 1515 C CB LEU 39 . . E 3 16.504 64.852 12.5 1 24.33 ? CB LEU 39 A 1 +ATOM 1516 C CG LEU 39 . . E 3 16.183 63.373 12.289 1 27.54 ? CG LEU 39 A 1 +ATOM 1517 C CD1 LEU 39 . . E 3 17.306 62.675 11.568 1 32.63 ? CD1 LEU 39 A 1 +ATOM 1518 C CD2 LEU 39 . . E 3 15.996 62.735 13.609 1 30.74 ? CD2 LEU 39 A 1 +ATOM 1519 N N TYR 40 . . E 3 15.208 65.437 9.218 1 26.1 ? N TYR 40 A 1 +ATOM 1520 C CA TYR 40 . . E 3 14.026 65.199 8.385 1 26.88 ? CA TYR 40 A 1 +ATOM 1521 C C TYR 40 . . E 3 13.616 63.74 8.387 1 25.83 ? C TYR 40 A 1 +ATOM 1522 O O TYR 40 . . E 3 14.32 62.856 8.866 1 35.53 ? O TYR 40 A 1 +ATOM 1523 C CB TYR 40 . . E 3 14.307 65.668 6.927 1 25.89 ? CB TYR 40 A 1 +ATOM 1524 C CG TYR 40 . . E 3 14.768 67.12 6.856 1 31.74 ? CG TYR 40 A 1 +ATOM 1525 C CD1 TYR 40 . . E 3 16.084 67.444 7.176 1 33.19 ? CD1 TYR 40 A 1 +ATOM 1526 C CD2 TYR 40 . . E 3 13.894 68.166 6.501 1 23.12 ? CD2 TYR 40 A 1 +ATOM 1527 C CE1 TYR 40 . . E 3 16.543 68.754 7.157 1 40.13 ? CE1 TYR 40 A 1 +ATOM 1528 C CE2 TYR 40 . . E 3 14.347 69.497 6.481 1 30.05 ? CE2 TYR 40 A 1 +ATOM 1529 C CZ TYR 40 . . E 3 15.688 69.784 6.814 1 39.57 ? CZ TYR 40 A 1 +ATOM 1530 O OH TYR 40 . . E 3 16.232 71.069 6.805 1 43.94 ? OH TYR 40 A 1 +ATOM 1531 N N TYR 41 . . E 3 12.473 63.512 7.783 1 18.85 ? N TYR 41 A 1 +ATOM 1532 C CA TYR 41 . . E 3 11.884 62.195 7.647 1 17.23 ? CA TYR 41 A 1 +ATOM 1533 C C TYR 41 . . E 3 11 62.26 6.388 1 20.33 ? C TYR 41 A 1 +ATOM 1534 O O TYR 41 . . E 3 10.108 63.108 6.332 1 29.73 ? O TYR 41 A 1 +ATOM 1535 C CB TYR 41 . . E 3 11.053 61.899 8.885 1 22.54 ? CB TYR 41 A 1 +ATOM 1536 C CG TYR 41 . . E 3 10.404 60.566 8.775 1 23.25 ? CG TYR 41 A 1 +ATOM 1537 C CD1 TYR 41 . . E 3 9.041 60.461 8.544 1 30.43 ? CD1 TYR 41 A 1 +ATOM 1538 C CD2 TYR 41 . . E 3 11.149 59.405 8.846 1 28.35 ? CD2 TYR 41 A 1 +ATOM 1539 C CE1 TYR 41 . . E 3 8.448 59.246 8.383 1 28.16 ? CE1 TYR 41 A 1 +ATOM 1540 C CE2 TYR 41 . . E 3 10.558 58.182 8.685 1 26.29 ? CE2 TYR 41 A 1 +ATOM 1541 C CZ TYR 41 . . E 3 9.214 58.115 8.451 1 26.78 ? CZ TYR 41 A 1 +ATOM 1542 O OH TYR 41 . . E 3 8.613 56.899 8.245 1 40.04 ? OH TYR 41 A 1 +ATOM 1543 N N ILE 42 . . E 3 11.223 61.384 5.407 1 25.22 ? N ILE 42 A 1 +ATOM 1544 C CA ILE 42 . . E 3 10.508 61.418 4.113 1 29.55 ? CA ILE 42 A 1 +ATOM 1545 C C ILE 42 . . E 3 9.097 60.766 4.072 1 30.5 ? C ILE 42 A 1 +ATOM 1546 O O ILE 42 . . E 3 8.937 59.57 3.787 1 33.7 ? O ILE 42 A 1 +ATOM 1547 C CB ILE 42 . . E 3 11.399 60.756 3.008 1 25.15 ? CB ILE 42 A 1 +ATOM 1548 C CG1 ILE 42 . . E 3 12.791 61.393 2.982 1 27.91 ? CG1 ILE 42 A 1 +ATOM 1549 C CG2 ILE 42 . . E 3 10.815 61.014 1.643 1 33.96 ? CG2 ILE 42 A 1 +ATOM 1550 C CD1 ILE 42 . . E 3 13.62 60.983 1.766 1 21.39 ? CD1 ILE 42 A 1 +ATOM 1551 N N VAL 43 . . E 3 8.067 61.573 4.305 1 25.63 ? N VAL 43 A 1 +ATOM 1552 C CA VAL 43 . . E 3 6.711 61.072 4.319 1 24.7 ? CA VAL 43 A 1 +ATOM 1553 C C VAL 43 . . E 3 6.4 60.453 2.991 1 26.36 ? C VAL 43 A 1 +ATOM 1554 O O VAL 43 . . E 3 6.246 59.249 2.908 1 30.84 ? O VAL 43 A 1 +ATOM 1555 C CB VAL 43 . . E 3 5.727 62.168 4.555 1 25.96 ? CB VAL 43 A 1 +ATOM 1556 C CG1 VAL 43 . . E 3 4.342 61.56 4.745 1 31.89 ? CG1 VAL 43 A 1 +ATOM 1557 C CG2 VAL 43 . . E 3 6.151 62.972 5.763 1 37.01 ? CG2 VAL 43 A 1 +ATOM 1558 N N LYS 44 . . E 3 6.334 61.276 1.948 1 30.92 ? N LYS 44 A 1 +ATOM 1559 C CA LYS 44 . . E 3 6.056 60.831 0.574 1 27.91 ? CA LYS 44 A 1 +ATOM 1560 C C LYS 44 . . E 3 7.105 61.394 -0.353 1 31.55 ? C LYS 44 A 1 +ATOM 1561 O O LYS 44 . . E 3 7.423 62.577 -0.232 1 37.24 ? O LYS 44 A 1 +ATOM 1562 C CB LYS 44 . . E 3 4.689 61.324 0.116 1 33.1 ? CB LYS 44 A 1 +ATOM 1563 C CG LYS 44 . . E 3 4.479 61.47 -1.403 1 39.56 ? CG LYS 44 A 1 +ATOM 1564 C CD LYS 44 . . E 3 3.076 62.049 -1.709 1 43.2 ? CD LYS 44 A 1 +ATOM 1565 C CE LYS 44 . . E 3 2.888 63.449 -1.052 1 51.21 ? CE LYS 44 A 1 +ATOM 1566 N NZ LYS 44 . . E 3 1.512 64.075 -1.019 1 40.62 ? NZ LYS 44 A 1 +ATOM 1567 N N GLY 45 . . E 3 7.669 60.545 -1.225 1 33.47 ? N GLY 45 A 1 +ATOM 1568 C CA GLY 45 . . E 3 8.641 60.985 -2.223 1 33.84 ? CA GLY 45 A 1 +ATOM 1569 C C GLY 45 . . E 3 10.026 60.354 -2.156 1 29.69 ? C GLY 45 A 1 +ATOM 1570 O O GLY 45 . . E 3 10.291 59.471 -1.346 1 32.11 ? O GLY 45 A 1 +ATOM 1571 N N SER 46 . . E 3 10.899 60.826 -3.043 1 16.92 ? N SER 46 A 1 +ATOM 1572 C CA SER 46 . . E 3 12.294 60.422 -3.136 1 17.1 ? CA SER 46 A 1 +ATOM 1573 C C SER 46 . . E 3 13.149 61.689 -3.264 1 15.96 ? C SER 46 A 1 +ATOM 1574 O O SER 46 . . E 3 12.738 62.687 -3.893 1 20.03 ? O SER 46 A 1 +ATOM 1575 C CB SER 46 . . E 3 12.548 59.564 -4.373 1 21.99 ? CB SER 46 A 1 +ATOM 1576 O OG SER 46 . . E 3 11.518 58.611 -4.519 1 36 ? OG SER 46 A 1 +ATOM 1577 N N VAL 47 . . E 3 14.357 61.602 -2.742 1 7.03 ? N VAL 47 A 1 +ATOM 1578 C CA VAL 47 . . E 3 15.281 62.7 -2.706 1 6 ? CA VAL 47 A 1 +ATOM 1579 C C VAL 47 . . E 3 16.665 62.189 -3.107 1 7.63 ? C VAL 47 A 1 +ATOM 1580 O O VAL 47 . . E 3 16.897 60.989 -3.058 1 23.7 ? O VAL 47 A 1 +ATOM 1581 C CB VAL 47 . . E 3 15.257 63.259 -1.282 1 17.01 ? CB VAL 47 A 1 +ATOM 1582 C CG1 VAL 47 . . E 3 16.31 62.573 -0.442 1 18.43 ? CG1 VAL 47 A 1 +ATOM 1583 C CG2 VAL 47 . . E 3 15.422 64.734 -1.334 1 27.34 ? CG2 VAL 47 A 1 +ATOM 1584 N N ALA 48 . . E 3 17.598 63.039 -3.509 1 6.41 ? N ALA 48 A 1 +ATOM 1585 C CA ALA 48 . . E 3 18.915 62.499 -3.868 1 7.21 ? CA ALA 48 A 1 +ATOM 1586 C C ALA 48 . . E 3 20.034 63.166 -3.057 1 7.1 ? C ALA 48 A 1 +ATOM 1587 O O ALA 48 . . E 3 20.008 64.34 -2.819 1 15.44 ? O ALA 48 A 1 +ATOM 1588 C CB ALA 48 . . E 3 19.162 62.704 -5.362 1 9.69 ? CB ALA 48 A 1 +ATOM 1589 N N VAL 49 . . E 3 21.006 62.412 -2.592 1 7.28 ? N VAL 49 A 1 +ATOM 1590 C CA VAL 49 . . E 3 22.082 62.992 -1.825 1 6 ? CA VAL 49 A 1 +ATOM 1591 C C VAL 49 . . E 3 23.231 63.077 -2.761 1 6 ? C VAL 49 A 1 +ATOM 1592 O O VAL 49 . . E 3 23.531 62.076 -3.408 1 15.08 ? O VAL 49 A 1 +ATOM 1593 C CB VAL 49 . . E 3 22.529 62.1 -0.605 1 6 ? CB VAL 49 A 1 +ATOM 1594 C CG1 VAL 49 . . E 3 23.614 62.837 0.275 1 6.77 ? CG1 VAL 49 A 1 +ATOM 1595 C CG2 VAL 49 . . E 3 21.35 61.778 0.21 1 6 ? CG2 VAL 49 A 1 +ATOM 1596 N N LEU 50 . . E 3 23.882 64.231 -2.83 1 8.56 ? N LEU 50 A 1 +ATOM 1597 C CA LEU 50 . . E 3 25.047 64.424 -3.708 1 9.23 ? CA LEU 50 A 1 +ATOM 1598 C C LEU 50 . . E 3 25.957 65.53 -3.153 1 9.79 ? C LEU 50 A 1 +ATOM 1599 O O LEU 50 . . E 3 25.537 66.375 -2.357 1 15.61 ? O LEU 50 A 1 +ATOM 1600 C CB LEU 50 . . E 3 24.551 64.786 -5.113 1 12.64 ? CB LEU 50 A 1 +ATOM 1601 C CG LEU 50 . . E 3 23.551 65.951 -5.265 1 13.96 ? CG LEU 50 A 1 +ATOM 1602 C CD1 LEU 50 . . E 3 24.253 67.224 -5.68 1 15.34 ? CD1 LEU 50 A 1 +ATOM 1603 C CD2 LEU 50 . . E 3 22.586 65.625 -6.337 1 11.99 ? CD2 LEU 50 A 1 +ATOM 1604 N N ILE 51 . . E 3 27.212 65.472 -3.537 1 6 ? N ILE 51 A 1 +ATOM 1605 C CA ILE 51 . . E 3 28.216 66.427 -3.141 1 11.11 ? CA ILE 51 A 1 +ATOM 1606 C C ILE 51 . . E 3 28.655 67.136 -4.42 1 15.65 ? C ILE 51 A 1 +ATOM 1607 O O ILE 51 . . E 3 28.068 66.92 -5.475 1 15.27 ? O ILE 51 A 1 +ATOM 1608 C CB ILE 51 . . E 3 29.476 65.728 -2.475 1 17.15 ? CB ILE 51 A 1 +ATOM 1609 C CG1 ILE 51 . . E 3 29.656 64.289 -3.023 1 14.36 ? CG1 ILE 51 A 1 +ATOM 1610 C CG2 ILE 51 . . E 3 29.323 65.764 -0.992 1 23.73 ? CG2 ILE 51 A 1 +ATOM 1611 C CD1 ILE 51 . . E 3 30.974 63.599 -2.695 1 6 ? CD1 ILE 51 A 1 +ATOM 1612 N N LYS 52 . . E 3 29.693 67.959 -4.369 1 22.44 ? N LYS 52 A 1 +ATOM 1613 C CA LYS 52 . . E 3 30.108 68.628 -5.596 1 20.38 ? CA LYS 52 A 1 +ATOM 1614 C C LYS 52 . . E 3 31.587 68.725 -5.688 1 22.43 ? C LYS 52 A 1 +ATOM 1615 O O LYS 52 . . E 3 32.302 68.658 -4.689 1 21.19 ? O LYS 52 A 1 +ATOM 1616 C CB LYS 52 . . E 3 29.522 70.046 -5.682 1 28.41 ? CB LYS 52 A 1 +ATOM 1617 C CG LYS 52 . . E 3 28.058 70.08 -6.134 1 31.04 ? CG LYS 52 A 1 +ATOM 1618 C CD LYS 52 . . E 3 27.343 71.403 -5.92 1 36.18 ? CD LYS 52 A 1 +ATOM 1619 C CE LYS 52 . . E 3 27.987 72.582 -6.629 1 41.84 ? CE LYS 52 A 1 +ATOM 1620 N NZ LYS 52 . . E 3 27.03 73.73 -6.488 1 41.22 ? NZ LYS 52 A 1 +ATOM 1621 N N ASP 53 . . E 3 32.008 68.837 -6.937 1 34.02 ? N ASP 53 A 1 +ATOM 1622 C CA ASP 53 . . E 3 33.384 69.003 -7.35 1 40.67 ? CA ASP 53 A 1 +ATOM 1623 C C ASP 53 . . E 3 33.751 70.462 -7.129 1 41.31 ? C ASP 53 A 1 +ATOM 1624 O O ASP 53 . . E 3 32.881 71.326 -7.115 1 43.84 ? O ASP 53 A 1 +ATOM 1625 C CB ASP 53 . . E 3 33.477 68.581 -8.823 1 47.56 ? CB ASP 53 A 1 +ATOM 1626 C CG ASP 53 . . E 3 34.229 69.556 -9.693 1 51.22 ? CG ASP 53 A 1 +ATOM 1627 O OD1 ASP 53 . . E 3 35.353 69.966 -9.336 1 55 ? OD1 ASP 53 A 1 +ATOM 1628 O OD2 ASP 53 . . E 3 33.685 69.9 -10.761 1 52.6 ? OD2 ASP 53 A 1 +ATOM 1629 N N GLU 54 . . E 3 35.036 70.744 -7.006 1 39.04 ? N GLU 54 A 1 +ATOM 1630 C CA GLU 54 . . E 3 35.502 72.093 -6.731 1 43.86 ? CA GLU 54 A 1 +ATOM 1631 C C GLU 54 . . E 3 34.884 73.156 -7.653 1 46.87 ? C GLU 54 A 1 +ATOM 1632 O O GLU 54 . . E 3 34.958 74.366 -7.361 1 47.75 ? O GLU 54 A 1 +ATOM 1633 C CB GLU 54 . . E 3 37.016 72.107 -6.852 1 45.27 ? CB GLU 54 A 1 +ATOM 1634 C CG GLU 54 . . E 3 37.712 71.097 -5.923 1 50.95 ? CG GLU 54 A 1 +ATOM 1635 C CD GLU 54 . . E 3 37.478 69.623 -6.307 1 51.54 ? CD GLU 54 A 1 +ATOM 1636 O OE1 GLU 54 . . E 3 37.701 69.268 -7.49 1 48.23 ? OE1 GLU 54 A 1 +ATOM 1637 O OE2 GLU 54 . . E 3 37.074 68.825 -5.427 1 54.62 ? OE2 GLU 54 A 1 +ATOM 1638 N N GLU 55 . . E 3 34.269 72.694 -8.747 1 45.46 ? N GLU 55 A 1 +ATOM 1639 C CA GLU 55 . . E 3 33.633 73.572 -9.719 1 42.78 ? CA GLU 55 A 1 +ATOM 1640 C C GLU 55 . . E 3 32.198 73.153 -10.124 1 37.52 ? C GLU 55 A 1 +ATOM 1641 O O GLU 55 . . E 3 31.67 73.617 -11.145 1 38.04 ? O GLU 55 A 1 +ATOM 1642 C CB GLU 55 . . E 3 34.511 73.651 -10.982 1 45.25 ? CB GLU 55 A 1 +ATOM 1643 C CG GLU 55 . . E 3 35.959 74.135 -10.752 1 53.87 ? CG GLU 55 A 1 +ATOM 1644 C CD GLU 55 . . E 3 36.046 75.472 -10.019 1 49.85 ? CD GLU 55 A 1 +ATOM 1645 O OE1 GLU 55 . . E 3 35.313 76.426 -10.387 1 48.93 ? OE1 GLU 55 A 1 +ATOM 1646 O OE2 GLU 55 . . E 3 36.857 75.546 -9.068 1 51.97 ? OE2 GLU 55 A 1 +ATOM 1647 N N GLY 56 . . E 3 31.555 72.273 -9.375 1 24.83 ? N GLY 56 A 1 +ATOM 1648 C CA GLY 56 . . E 3 30.199 71.989 -9.762 1 24.43 ? CA GLY 56 A 1 +ATOM 1649 C C GLY 56 . . E 3 29.922 70.586 -10.196 1 21.38 ? C GLY 56 A 1 +ATOM 1650 O O GLY 56 . . E 3 28.78 70.191 -10.114 1 35.28 ? O GLY 56 A 1 +ATOM 1651 N N LYS 57 . . E 3 30.884 69.822 -10.679 1 17.1 ? N LYS 57 A 1 +ATOM 1652 C CA LYS 57 . . E 3 30.536 68.465 -11.059 1 12.63 ? CA LYS 57 A 1 +ATOM 1653 C C LYS 57 . . E 3 29.951 67.777 -9.837 1 13.37 ? C LYS 57 A 1 +ATOM 1654 O O LYS 57 . . E 3 30.558 67.721 -8.781 1 18.45 ? O LYS 57 A 1 +ATOM 1655 C CB LYS 57 . . E 3 31.775 67.708 -11.537 1 25.65 ? CB LYS 57 A 1 +ATOM 1656 C CG LYS 57 . . E 3 31.671 66.192 -11.77 1 37.17 ? CG LYS 57 A 1 +ATOM 1657 C CD LYS 57 . . E 3 30.701 65.785 -12.899 1 49.62 ? CD LYS 57 A 1 +ATOM 1658 C CE LYS 57 . . E 3 30.905 64.308 -13.371 1 47.06 ? CE LYS 57 A 1 +ATOM 1659 N NZ LYS 57 . . E 3 30.004 63.9 -14.522 1 39.56 ? NZ LYS 57 A 1 +ATOM 1660 N N GLU 58 . . E 3 28.727 67.311 -10 1 10.43 ? N GLU 58 A 1 +ATOM 1661 C CA GLU 58 . . E 3 28.072 66.576 -8.966 1 11.37 ? CA GLU 58 A 1 +ATOM 1662 C C GLU 58 . . E 3 28.541 65.125 -9.032 1 14.73 ? C GLU 58 A 1 +ATOM 1663 O O GLU 58 . . E 3 29.151 64.735 -10.011 1 24.78 ? O GLU 58 A 1 +ATOM 1664 C CB GLU 58 . . E 3 26.559 66.683 -9.166 1 25.3 ? CB GLU 58 A 1 +ATOM 1665 C CG GLU 58 . . E 3 26.072 68.127 -9.195 1 29.25 ? CG GLU 58 A 1 +ATOM 1666 C CD GLU 58 . . E 3 24.557 68.268 -9.137 1 36.69 ? CD GLU 58 A 1 +ATOM 1667 O OE1 GLU 58 . . E 3 24.073 69.418 -9.133 1 36.06 ? OE1 GLU 58 A 1 +ATOM 1668 O OE2 GLU 58 . . E 3 23.838 67.245 -9.077 1 40.91 ? OE2 GLU 58 A 1 +ATOM 1669 N N MET 59 . . E 3 28.25 64.365 -7.981 1 9.85 ? N MET 59 A 1 +ATOM 1670 C CA MET 59 . . E 3 28.563 62.946 -7.777 1 6 ? CA MET 59 A 1 +ATOM 1671 C C MET 59 . . E 3 27.441 62.518 -6.871 1 7.8 ? C MET 59 A 1 +ATOM 1672 O O MET 59 . . E 3 27.509 62.757 -5.683 1 27.55 ? O MET 59 A 1 +ATOM 1673 C CB MET 59 . . E 3 29.885 62.741 -7.026 1 17.09 ? CB MET 59 A 1 +ATOM 1674 C CG MET 59 . . E 3 30.725 61.395 -7.18 1 24.34 ? CG MET 59 A 1 +ATOM 1675 S SD MET 59 . . E 3 29.955 59.781 -6.747 1 32.69 ? SD MET 59 A 1 +ATOM 1676 C CE MET 59 . . E 3 30.903 58.743 -7.804 1 24.75 ? CE MET 59 A 1 +ATOM 1677 N N ILE 60 . . E 3 26.345 61.996 -7.405 1 11.68 ? N ILE 60 A 1 +ATOM 1678 C CA ILE 60 . . E 3 25.287 61.537 -6.52 1 8.06 ? CA ILE 60 A 1 +ATOM 1679 C C ILE 60 . . E 3 25.776 60.408 -5.584 1 12.64 ? C ILE 60 A 1 +ATOM 1680 O O ILE 60 . . E 3 26.314 59.405 -6.055 1 10.42 ? O ILE 60 A 1 +ATOM 1681 C CB ILE 60 . . E 3 24.162 60.992 -7.29 1 7.69 ? CB ILE 60 A 1 +ATOM 1682 C CG1 ILE 60 . . E 3 23.555 62.08 -8.158 1 6 ? CG1 ILE 60 A 1 +ATOM 1683 C CG2 ILE 60 . . E 3 23.2 60.391 -6.325 1 8.49 ? CG2 ILE 60 A 1 +ATOM 1684 C CD1 ILE 60 . . E 3 22.294 61.637 -8.806 1 6 ? CD1 ILE 60 A 1 +ATOM 1685 N N LEU 61 . . E 3 25.606 60.576 -4.274 1 17.04 ? N LEU 61 A 1 +ATOM 1686 C CA LEU 61 . . E 3 26.032 59.558 -3.287 1 14.85 ? CA LEU 61 A 1 +ATOM 1687 C C LEU 61 . . E 3 25.047 58.442 -3.116 1 15.71 ? C LEU 61 A 1 +ATOM 1688 O O LEU 61 . . E 3 25.488 57.314 -2.943 1 13.65 ? O LEU 61 A 1 +ATOM 1689 C CB LEU 61 . . E 3 26.231 60.106 -1.869 1 7.01 ? CB LEU 61 A 1 +ATOM 1690 C CG LEU 61 . . E 3 27.579 60.698 -1.564 1 9.87 ? CG LEU 61 A 1 +ATOM 1691 C CD1 LEU 61 . . E 3 27.713 60.911 -0.077 1 6.62 ? CD1 LEU 61 A 1 +ATOM 1692 C CD2 LEU 61 . . E 3 28.637 59.762 -2.054 1 11.64 ? CD2 LEU 61 A 1 +ATOM 1693 N N SER 62 . . E 3 23.748 58.781 -3.081 1 13.52 ? N SER 62 A 1 +ATOM 1694 C CA SER 62 . . E 3 22.621 57.837 -2.913 1 12.7 ? CA SER 62 A 1 +ATOM 1695 C C SER 62 . . E 3 21.274 58.536 -3.104 1 14.27 ? C SER 62 A 1 +ATOM 1696 O O SER 62 . . E 3 21.203 59.749 -3.002 1 21.89 ? O SER 62 A 1 +ATOM 1697 C CB SER 62 . . E 3 22.678 57.216 -1.495 1 18.25 ? CB SER 62 A 1 +ATOM 1698 O OG SER 62 . . E 3 21.555 56.392 -1.167 1 22.32 ? OG SER 62 A 1 +ATOM 1699 N N TYR 63 . . E 3 20.211 57.803 -3.427 1 16.66 ? N TYR 63 A 1 +ATOM 1700 C CA TYR 63 . . E 3 18.88 58.425 -3.463 1 17.17 ? CA TYR 63 A 1 +ATOM 1701 C C TYR 63 . . E 3 18.262 57.974 -2.158 1 22.08 ? C TYR 63 A 1 +ATOM 1702 O O TYR 63 . . E 3 18.661 56.939 -1.62 1 26.67 ? O TYR 63 A 1 +ATOM 1703 C CB TYR 63 . . E 3 17.972 57.917 -4.611 1 25.46 ? CB TYR 63 A 1 +ATOM 1704 C CG TYR 63 . . E 3 18.406 58.316 -6.006 1 26.6 ? CG TYR 63 A 1 +ATOM 1705 C CD1 TYR 63 . . E 3 18.601 59.643 -6.354 1 27.88 ? CD1 TYR 63 A 1 +ATOM 1706 C CD2 TYR 63 . . E 3 18.65 57.354 -6.977 1 29.79 ? CD2 TYR 63 A 1 +ATOM 1707 C CE1 TYR 63 . . E 3 19.04 59.994 -7.643 1 30.6 ? CE1 TYR 63 A 1 +ATOM 1708 C CE2 TYR 63 . . E 3 19.084 57.694 -8.262 1 30.5 ? CE2 TYR 63 A 1 +ATOM 1709 C CZ TYR 63 . . E 3 19.28 59.008 -8.589 1 31.72 ? CZ TYR 63 A 1 +ATOM 1710 O OH TYR 63 . . E 3 19.732 59.312 -9.854 1 23.33 ? OH TYR 63 A 1 +ATOM 1711 N N LEU 64 . . E 3 17.295 58.717 -1.641 1 27.35 ? N LEU 64 A 1 +ATOM 1712 C CA LEU 64 . . E 3 16.679 58.38 -0.365 1 26.74 ? CA LEU 64 A 1 +ATOM 1713 C C LEU 64 . . E 3 15.184 58.367 -0.605 1 30.54 ? C LEU 64 A 1 +ATOM 1714 O O LEU 64 . . E 3 14.69 59.34 -1.158 1 25.17 ? O LEU 64 A 1 +ATOM 1715 C CB LEU 64 . . E 3 17.076 59.438 0.652 1 6.73 ? CB LEU 64 A 1 +ATOM 1716 C CG LEU 64 . . E 3 17.895 59.013 1.845 1 6 ? CG LEU 64 A 1 +ATOM 1717 C CD1 LEU 64 . . E 3 19.095 58.273 1.438 1 8.98 ? CD1 LEU 64 A 1 +ATOM 1718 C CD2 LEU 64 . . E 3 18.322 60.189 2.555 1 6 ? CD2 LEU 64 A 1 +ATOM 1719 N N ASN 65 . . E 3 14.477 57.292 -0.226 1 35.25 ? N ASN 65 A 1 +ATOM 1720 C CA ASN 65 . . E 3 13.029 57.16 -0.498 1 30.63 ? CA ASN 65 A 1 +ATOM 1721 C C ASN 65 . . E 3 12.106 57.385 0.73 1 28.38 ? C ASN 65 A 1 +ATOM 1722 O O ASN 65 . . E 3 12.578 57.708 1.833 1 23.29 ? O ASN 65 A 1 +ATOM 1723 C CB ASN 65 . . E 3 12.768 55.764 -1.093 1 29.39 ? CB ASN 65 A 1 +ATOM 1724 C CG ASN 65 . . E 3 13.589 55.492 -2.353 1 22.64 ? CG ASN 65 A 1 +ATOM 1725 O OD1 ASN 65 . . E 3 14.793 55.23 -2.286 1 22.55 ? OD1 ASN 65 A 1 +ATOM 1726 N ND2 ASN 65 . . E 3 12.927 55.54 -3.508 1 21.44 ? ND2 ASN 65 A 1 +ATOM 1727 N N GLN 66 . . E 3 10.794 57.196 0.562 1 22.94 ? N GLN 66 A 1 +ATOM 1728 C CA GLN 66 . . E 3 9.914 57.467 1.68 1 22.12 ? CA GLN 66 A 1 +ATOM 1729 C C GLN 66 . . E 3 10.164 56.488 2.766 1 27.93 ? C GLN 66 A 1 +ATOM 1730 O O GLN 66 . . E 3 10.397 55.305 2.536 1 35.38 ? O GLN 66 A 1 +ATOM 1731 C CB GLN 66 . . E 3 8.425 57.405 1.288 1 24.81 ? CB GLN 66 A 1 +ATOM 1732 C CG GLN 66 . . E 3 7.767 56.099 0.817 1 23.84 ? CG GLN 66 A 1 +ATOM 1733 C CD GLN 66 . . E 3 6.221 56.271 0.708 1 34.69 ? CD GLN 66 A 1 +ATOM 1734 O OE1 GLN 66 . . E 3 5.548 55.659 -0.126 1 39.05 ? OE1 GLN 66 A 1 +ATOM 1735 N NE2 GLN 66 . . E 3 5.667 57.121 1.563 1 31 ? NE2 GLN 66 A 1 +ATOM 1736 N N GLY 67 . . E 3 10.133 56.997 3.977 1 28.63 ? N GLY 67 A 1 +ATOM 1737 C CA GLY 67 . . E 3 10.386 56.138 5.09 1 26.95 ? CA GLY 67 A 1 +ATOM 1738 C C GLY 67 . . E 3 11.853 56.192 5.355 1 27.89 ? C GLY 67 A 1 +ATOM 1739 O O GLY 67 . . E 3 12.395 55.242 5.878 1 37.41 ? O GLY 67 A 1 +ATOM 1740 N N ASP 68 . . E 3 12.517 57.28 4.983 1 24.35 ? N ASP 68 A 1 +ATOM 1741 C CA ASP 68 . . E 3 13.945 57.4 5.301 1 26.61 ? CA ASP 68 A 1 +ATOM 1742 C C ASP 68 . . E 3 14.165 58.634 6.184 1 23.54 ? C ASP 68 A 1 +ATOM 1743 O O ASP 68 . . E 3 13.338 59.517 6.172 1 26.06 ? O ASP 68 A 1 +ATOM 1744 C CB ASP 68 . . E 3 14.763 57.521 4.001 1 22.95 ? CB ASP 68 A 1 +ATOM 1745 C CG ASP 68 . . E 3 15.496 56.224 3.626 1 24.75 ? CG ASP 68 A 1 +ATOM 1746 O OD1 ASP 68 . . E 3 15.106 55.504 2.676 1 13.07 ? OD1 ASP 68 A 1 +ATOM 1747 O OD2 ASP 68 . . E 3 16.5 55.935 4.305 1 30.67 ? OD2 ASP 68 A 1 +ATOM 1748 N N PHE 69 . . E 3 15.213 58.681 6.998 1 20.68 ? N PHE 69 A 1 +ATOM 1749 C CA PHE 69 . . E 3 15.493 59.879 7.797 1 19.92 ? CA PHE 69 A 1 +ATOM 1750 C C PHE 69 . . E 3 16.525 60.739 7.053 1 20.69 ? C PHE 69 A 1 +ATOM 1751 O O PHE 69 . . E 3 17.391 60.174 6.396 1 26.1 ? O PHE 69 A 1 +ATOM 1752 C CB PHE 69 . . E 3 16.095 59.522 9.149 1 28.8 ? CB PHE 69 A 1 +ATOM 1753 C CG PHE 69 . . E 3 15.138 58.927 10.137 1 34.08 ? CG PHE 69 A 1 +ATOM 1754 C CD1 PHE 69 . . E 3 14.123 59.702 10.695 1 28.93 ? CD1 PHE 69 A 1 +ATOM 1755 C CD2 PHE 69 . . E 3 15.277 57.587 10.539 1 38.04 ? CD2 PHE 69 A 1 +ATOM 1756 C CE1 PHE 69 . . E 3 13.255 59.15 11.641 1 32.17 ? CE1 PHE 69 A 1 +ATOM 1757 C CE2 PHE 69 . . E 3 14.425 57.023 11.476 1 30.56 ? CE2 PHE 69 A 1 +ATOM 1758 C CZ PHE 69 . . E 3 13.403 57.81 12.031 1 32.26 ? CZ PHE 69 A 1 +ATOM 1759 N N ILE 70 . . E 3 16.49 62.072 7.157 1 18.58 ? N ILE 70 A 1 +ATOM 1760 C CA ILE 70 . . E 3 17.498 62.892 6.454 1 26.28 ? CA ILE 70 A 1 +ATOM 1761 C C ILE 70 . . E 3 18.234 63.861 7.38 1 30.93 ? C ILE 70 A 1 +ATOM 1762 O O ILE 70 . . E 3 17.638 64.501 8.238 1 43.35 ? O ILE 70 A 1 +ATOM 1763 C CB ILE 70 . . E 3 16.92 63.804 5.355 1 34.75 ? CB ILE 70 A 1 +ATOM 1764 C CG1 ILE 70 . . E 3 16.022 63.039 4.387 1 38.94 ? CG1 ILE 70 A 1 +ATOM 1765 C CG2 ILE 70 . . E 3 18.074 64.35 4.546 1 37.06 ? CG2 ILE 70 A 1 +ATOM 1766 C CD1 ILE 70 . . E 3 15.3 63.97 3.381 1 44.51 ? CD1 ILE 70 A 1 +ATOM 1767 N N GLY 71 . . E 3 19.535 64.015 7.178 1 33.69 ? N GLY 71 A 1 +ATOM 1768 C CA GLY 71 . . E 3 20.282 64.937 8.009 1 25.56 ? CA GLY 71 A 1 +ATOM 1769 C C GLY 71 . . E 3 20.388 64.425 9.431 1 24.7 ? C GLY 71 A 1 +ATOM 1770 O O GLY 71 . . E 3 20.198 65.192 10.371 1 29.91 ? O GLY 71 A 1 +ATOM 1771 N N GLU 72 . . E 3 20.71 63.141 9.601 1 13.93 ? N GLU 72 A 1 +ATOM 1772 C CA GLU 72 . . E 3 20.832 62.623 10.936 1 12.48 ? CA GLU 72 A 1 +ATOM 1773 C C GLU 72 . . E 3 22.274 62.67 11.391 1 11.3 ? C GLU 72 A 1 +ATOM 1774 O O GLU 72 . . E 3 22.589 62.2 12.474 1 17.78 ? O GLU 72 A 1 +ATOM 1775 C CB GLU 72 . . E 3 20.317 61.171 11.013 1 13.01 ? CB GLU 72 A 1 +ATOM 1776 C CG GLU 72 . . E 3 21.236 60.065 10.399 1 18.25 ? CG GLU 72 A 1 +ATOM 1777 C CD GLU 72 . . E 3 21.276 60.043 8.866 1 16.76 ? CD GLU 72 A 1 +ATOM 1778 O OE1 GLU 72 . . E 3 20.306 60.513 8.239 1 11.12 ? OE1 GLU 72 A 1 +ATOM 1779 O OE2 GLU 72 . . E 3 22.277 59.551 8.294 1 15.76 ? OE2 GLU 72 A 1 +ATOM 1780 N N LEU 73 . . E 3 23.179 63.23 10.607 1 9.81 ? N LEU 73 A 1 +ATOM 1781 C CA LEU 73 . . E 3 24.587 63.222 11.057 1 13.82 ? CA LEU 73 A 1 +ATOM 1782 C C LEU 73 . . E 3 24.964 64.32 12.05 1 17.22 ? C LEU 73 A 1 +ATOM 1783 O O LEU 73 . . E 3 26.076 64.349 12.539 1 14.89 ? O LEU 73 A 1 +ATOM 1784 C CB LEU 73 . . E 3 25.527 63.298 9.836 1 14.15 ? CB LEU 73 A 1 +ATOM 1785 C CG LEU 73 . . E 3 25.782 61.937 9.125 1 14.99 ? CG LEU 73 A 1 +ATOM 1786 C CD1 LEU 73 . . E 3 24.86 60.857 9.671 1 21.16 ? CD1 LEU 73 A 1 +ATOM 1787 C CD2 LEU 73 . . E 3 25.495 62.078 7.629 1 8.97 ? CD2 LEU 73 A 1 +ATOM 1788 N N GLY 74 . . E 3 24.038 65.217 12.375 1 30.27 ? N GLY 74 A 1 +ATOM 1789 C CA GLY 74 . . E 3 24.353 66.27 13.328 1 33.67 ? CA GLY 74 A 1 +ATOM 1790 C C GLY 74 . . E 3 23.872 65.896 14.713 1 34.03 ? C GLY 74 A 1 +ATOM 1791 O O GLY 74 . . E 3 24.427 66.303 15.737 1 39.53 ? O GLY 74 A 1 +ATOM 1792 N N LEU 75 . . E 3 22.829 65.08 14.708 1 26.27 ? N LEU 75 A 1 +ATOM 1793 C CA LEU 75 . . E 3 22.162 64.571 15.881 1 23.17 ? CA LEU 75 A 1 +ATOM 1794 C C LEU 75 . . E 3 23.062 64.115 17.022 1 25.64 ? C LEU 75 A 1 +ATOM 1795 O O LEU 75 . . E 3 22.563 63.981 18.131 1 34.35 ? O LEU 75 A 1 +ATOM 1796 C CB LEU 75 . . E 3 21.299 63.421 15.455 1 29.9 ? CB LEU 75 A 1 +ATOM 1797 C CG LEU 75 . . E 3 20.41 62.799 16.499 1 40.14 ? CG LEU 75 A 1 +ATOM 1798 C CD1 LEU 75 . . E 3 19.48 63.847 17.131 1 35.25 ? CD1 LEU 75 A 1 +ATOM 1799 C CD2 LEU 75 . . E 3 19.632 61.691 15.802 1 46.55 ? CD2 LEU 75 A 1 +ATOM 1800 N N PHE 76 . . E 3 24.351 63.863 16.776 1 29.39 ? N PHE 76 A 1 +ATOM 1801 C CA PHE 76 . . E 3 25.232 63.328 17.823 1 30.43 ? CA PHE 76 A 1 +ATOM 1802 C C PHE 76 . . E 3 26.43 64.224 18.119 1 33.08 ? C PHE 76 A 1 +ATOM 1803 O O PHE 76 . . E 3 27.47 63.721 18.556 1 39.56 ? O PHE 76 A 1 +ATOM 1804 C CB PHE 76 . . E 3 25.825 61.946 17.45 1 36.92 ? CB PHE 76 A 1 +ATOM 1805 C CG PHE 76 . . E 3 24.898 61.037 16.711 1 38.34 ? CG PHE 76 A 1 +ATOM 1806 C CD1 PHE 76 . . E 3 24.024 60.212 17.377 1 39.9 ? CD1 PHE 76 A 1 +ATOM 1807 C CD2 PHE 76 . . E 3 24.899 61.026 15.33 1 38.51 ? CD2 PHE 76 A 1 +ATOM 1808 C CE1 PHE 76 . . E 3 23.163 59.392 16.668 1 39.12 ? CE1 PHE 76 A 1 +ATOM 1809 C CE2 PHE 76 . . E 3 24.045 60.211 14.625 1 34.14 ? CE2 PHE 76 A 1 +ATOM 1810 C CZ PHE 76 . . E 3 23.179 59.4 15.298 1 25.35 ? CZ PHE 76 A 1 +ATOM 1811 N N GLU 77 . . E 3 26.336 65.522 17.878 1 31.61 ? N GLU 77 A 1 +ATOM 1812 C CA GLU 77 . . E 3 27.451 66.404 18.189 1 33.42 ? CA GLU 77 A 1 +ATOM 1813 C C GLU 77 . . E 3 26.985 67.802 17.924 1 35.76 ? C GLU 77 A 1 +ATOM 1814 O O GLU 77 . . E 3 25.972 67.976 17.278 1 46.52 ? O GLU 77 A 1 +ATOM 1815 C CB GLU 77 . . E 3 28.675 66.042 17.322 1 34.97 ? CB GLU 77 A 1 +ATOM 1816 C CG GLU 77 . . E 3 29.904 66.925 17.598 1 51.06 ? CG GLU 77 A 1 +ATOM 1817 C CD GLU 77 . . E 3 31.263 66.279 17.279 1 55 ? CD GLU 77 A 1 +ATOM 1818 O OE1 GLU 77 . . E 3 31.515 65.16 17.79 1 55 ? OE1 GLU 77 A 1 +ATOM 1819 O OE2 GLU 77 . . E 3 32.085 66.893 16.549 1 54.67 ? OE2 GLU 77 A 1 +ATOM 1820 N N GLU 78 . . E 3 27.679 68.809 18.42 1 41.85 ? N GLU 78 A 1 +ATOM 1821 C CA GLU 78 . . E 3 27.189 70.174 18.243 1 44.81 ? CA GLU 78 A 1 +ATOM 1822 C C GLU 78 . . E 3 27.858 70.93 17.107 1 45.88 ? C GLU 78 A 1 +ATOM 1823 O O GLU 78 . . E 3 29.008 70.645 16.77 1 47.34 ? O GLU 78 A 1 +ATOM 1824 C CB GLU 78 . . E 3 27.391 70.971 19.536 1 45.21 ? CB GLU 78 A 1 +ATOM 1825 C CG GLU 78 . . E 3 26.689 70.419 20.792 1 45.88 ? CG GLU 78 A 1 +ATOM 1826 C CD GLU 78 . . E 3 25.188 70.692 20.848 1 43.78 ? CD GLU 78 A 1 +ATOM 1827 O OE1 GLU 78 . . E 3 24.748 71.674 20.201 1 43.55 ? OE1 GLU 78 A 1 +ATOM 1828 O OE2 GLU 78 . . E 3 24.475 69.923 21.551 1 37.15 ? OE2 GLU 78 A 1 +ATOM 1829 N N GLY 79 . . E 3 27.102 71.872 16.529 1 46.22 ? N GLY 79 A 1 +ATOM 1830 C CA GLY 79 . . E 3 27.586 72.776 15.489 1 48.69 ? CA GLY 79 A 1 +ATOM 1831 C C GLY 79 . . E 3 28.298 72.166 14.276 1 42.68 ? C GLY 79 A 1 +ATOM 1832 O O GLY 79 . . E 3 29.325 72.698 13.778 1 30.47 ? O GLY 79 A 1 +ATOM 1833 N N GLN 80 . . E 3 27.772 71.053 13.783 1 45.11 ? N GLN 80 A 1 +ATOM 1834 C CA GLN 80 . . E 3 28.36 70.473 12.601 1 42.89 ? CA GLN 80 A 1 +ATOM 1835 C C GLN 80 . . E 3 27.525 70.938 11.42 1 41.23 ? C GLN 80 A 1 +ATOM 1836 O O GLN 80 . . E 3 26.302 71.124 11.541 1 39.58 ? O GLN 80 A 1 +ATOM 1837 C CB GLN 80 . . E 3 28.359 68.94 12.715 1 46.42 ? CB GLN 80 A 1 +ATOM 1838 C CG GLN 80 . . E 3 29.252 68.388 13.832 1 43.16 ? CG GLN 80 A 1 +ATOM 1839 C CD GLN 80 . . E 3 29.474 66.891 13.706 1 48.16 ? CD GLN 80 A 1 +ATOM 1840 O OE1 GLN 80 . . E 3 30.557 66.429 13.31 1 42.62 ? OE1 GLN 80 A 1 +ATOM 1841 N NE2 GLN 80 . . E 3 28.443 66.121 14.028 1 46.28 ? NE2 GLN 80 A 1 +ATOM 1842 N N GLU 81 . . E 3 28.186 71.163 10.293 1 36.87 ? N GLU 81 A 1 +ATOM 1843 C CA GLU 81 . . E 3 27.487 71.603 9.083 1 35.83 ? CA GLU 81 A 1 +ATOM 1844 C C GLU 81 . . E 3 26.672 70.453 8.445 1 36.6 ? C GLU 81 A 1 +ATOM 1845 O O GLU 81 . . E 3 26.724 69.319 8.936 1 35.61 ? O GLU 81 A 1 +ATOM 1846 C CB GLU 81 . . E 3 28.524 72.129 8.107 1 41.66 ? CB GLU 81 A 1 +ATOM 1847 C CG GLU 81 . . E 3 29.51 73.051 8.809 1 44.03 ? CG GLU 81 A 1 +ATOM 1848 C CD GLU 81 . . E 3 30.367 73.852 7.879 1 49.44 ? CD GLU 81 A 1 +ATOM 1849 O OE1 GLU 81 . . E 3 30.417 75.076 8.086 1 55 ? OE1 GLU 81 A 1 +ATOM 1850 O OE2 GLU 81 . . E 3 30.989 73.283 6.958 1 48.69 ? OE2 GLU 81 A 1 +ATOM 1851 N N ARG 82 . . E 3 25.895 70.748 7.396 1 27.15 ? N ARG 82 A 1 +ATOM 1852 C CA ARG 82 . . E 3 25.13 69.725 6.672 1 23.9 ? CA ARG 82 A 1 +ATOM 1853 C C ARG 82 . . E 3 26.166 69.218 5.662 1 20.67 ? C ARG 82 A 1 +ATOM 1854 O O ARG 82 . . E 3 26.767 70.046 4.983 1 27.73 ? O ARG 82 A 1 +ATOM 1855 C CB ARG 82 . . E 3 23.936 70.359 5.96 1 20.29 ? CB ARG 82 A 1 +ATOM 1856 C CG ARG 82 . . E 3 22.982 71.156 6.834 1 26.02 ? CG ARG 82 A 1 +ATOM 1857 C CD ARG 82 . . E 3 21.699 70.447 7.165 1 18.92 ? CD ARG 82 A 1 +ATOM 1858 N NE ARG 82 . . E 3 21.919 69.244 7.969 1 41.63 ? NE ARG 82 A 1 +ATOM 1859 C CZ ARG 82 . . E 3 20.977 68.632 8.691 1 38.51 ? CZ ARG 82 A 1 +ATOM 1860 N NH1 ARG 82 . . E 3 19.715 69.089 8.731 1 33.68 ? NH1 ARG 82 A 1 +ATOM 1861 N NH2 ARG 82 . . E 3 21.307 67.555 9.387 1 38.07 ? NH2 ARG 82 A 1 +ATOM 1862 N N SER 83 . . E 3 26.376 67.905 5.537 1 10.76 ? N SER 83 A 1 +ATOM 1863 C CA SER 83 . . E 3 27.491 67.424 4.701 1 11.3 ? CA SER 83 A 1 +ATOM 1864 C C SER 83 . . E 3 27.305 67.181 3.208 1 6.17 ? C SER 83 A 1 +ATOM 1865 O O SER 83 . . E 3 28.297 66.884 2.547 1 8.1 ? O SER 83 A 1 +ATOM 1866 C CB SER 83 . . E 3 28.08 66.115 5.275 1 6 ? CB SER 83 A 1 +ATOM 1867 O OG SER 83 . . E 3 27.145 65.043 5.227 1 10.48 ? OG SER 83 A 1 +ATOM 1868 N N ALA 84 . . E 3 26.112 67.312 2.666 1 6 ? N ALA 84 A 1 +ATOM 1869 C CA ALA 84 . . E 3 25.907 67.047 1.234 1 13.33 ? CA ALA 84 A 1 +ATOM 1870 C C ALA 84 . . E 3 24.703 67.799 0.768 1 14.8 ? C ALA 84 A 1 +ATOM 1871 O O ALA 84 . . E 3 24.214 68.695 1.449 1 19.43 ? O ALA 84 A 1 +ATOM 1872 C CB ALA 84 . . E 3 25.678 65.541 0.972 1 22.03 ? CB ALA 84 A 1 +ATOM 1873 N N TRP 85 . . E 3 24.214 67.43 -0.394 1 11.47 ? N TRP 85 A 1 +ATOM 1874 C CA TRP 85 . . E 3 23.019 68.068 -0.873 1 11.4 ? CA TRP 85 A 1 +ATOM 1875 C C TRP 85 . . E 3 21.912 67.055 -1.014 1 10.37 ? C TRP 85 A 1 +ATOM 1876 O O TRP 85 . . E 3 22.139 65.862 -1.158 1 20.14 ? O TRP 85 A 1 +ATOM 1877 C CB TRP 85 . . E 3 23.3 68.713 -2.199 1 21.53 ? CB TRP 85 A 1 +ATOM 1878 C CG TRP 85 . . E 3 23.682 70.12 -2.147 1 21.1 ? CG TRP 85 A 1 +ATOM 1879 C CD1 TRP 85 . . E 3 22.833 71.166 -2.15 1 21.65 ? CD1 TRP 85 A 1 +ATOM 1880 C CD2 TRP 85 . . E 3 24.991 70.665 -2.223 1 12.05 ? CD2 TRP 85 A 1 +ATOM 1881 N NE1 TRP 85 . . E 3 23.526 72.342 -2.251 1 13.68 ? NE1 TRP 85 A 1 +ATOM 1882 C CE2 TRP 85 . . E 3 24.856 72.063 -2.303 1 15.41 ? CE2 TRP 85 A 1 +ATOM 1883 C CE3 TRP 85 . . E 3 26.257 70.115 -2.251 1 13.77 ? CE3 TRP 85 A 1 +ATOM 1884 C CZ2 TRP 85 . . E 3 25.934 72.918 -2.411 1 6.21 ? CZ2 TRP 85 A 1 +ATOM 1885 C CZ3 TRP 85 . . E 3 27.344 70.964 -2.357 1 15.3 ? CZ3 TRP 85 A 1 +ATOM 1886 C CH2 TRP 85 . . E 3 27.172 72.349 -2.442 1 18.9 ? CH2 TRP 85 A 1 +ATOM 1887 N N VAL 86 . . E 3 20.703 67.544 -1.041 1 6 ? N VAL 86 A 1 +ATOM 1888 C CA VAL 86 . . E 3 19.566 66.691 -1.097 1 6 ? CA VAL 86 A 1 +ATOM 1889 C C VAL 86 . . E 3 18.48 67.505 -1.788 1 13.05 ? C VAL 86 A 1 +ATOM 1890 O O VAL 86 . . E 3 18.044 68.556 -1.278 1 19.1 ? O VAL 86 A 1 +ATOM 1891 C CB VAL 86 . . E 3 19.164 66.285 0.351 1 6 ? CB VAL 86 A 1 +ATOM 1892 C CG1 VAL 86 . . E 3 17.905 65.475 0.357 1 7.7 ? CG1 VAL 86 A 1 +ATOM 1893 C CG2 VAL 86 . . E 3 20.252 65.488 0.952 1 6 ? CG2 VAL 86 A 1 +ATOM 1894 N N ARG 87 . . E 3 18.078 67.02 -2.96 1 17.12 ? N ARG 87 A 1 +ATOM 1895 C CA ARG 87 . . E 3 17.091 67.633 -3.828 1 19.39 ? CA ARG 87 A 1 +ATOM 1896 C C ARG 87 . . E 3 15.949 66.657 -4.071 1 23.02 ? C ARG 87 A 1 +ATOM 1897 O O ARG 87 . . E 3 16.187 65.5 -4.343 1 27.12 ? O ARG 87 A 1 +ATOM 1898 C CB ARG 87 . . E 3 17.784 68.008 -5.14 1 14.28 ? CB ARG 87 A 1 +ATOM 1899 C CG ARG 87 . . E 3 16.849 68.186 -6.314 1 29.5 ? CG ARG 87 A 1 +ATOM 1900 C CD ARG 87 . . E 3 17.57 68.425 -7.657 1 30.53 ? CD ARG 87 A 1 +ATOM 1901 N NE ARG 87 . . E 3 18.262 67.287 -8.268 1 37.35 ? NE ARG 87 A 1 +ATOM 1902 C CZ ARG 87 . . E 3 19.565 67.275 -8.582 1 42.86 ? CZ ARG 87 A 1 +ATOM 1903 N NH1 ARG 87 . . E 3 20.323 68.349 -8.33 1 35.93 ? NH1 ARG 87 A 1 +ATOM 1904 N NH2 ARG 87 . . E 3 20.115 66.203 -9.179 1 27.91 ? NH2 ARG 87 A 1 +ATOM 1905 N N ALA 88 . . E 3 14.71 67.11 -3.974 1 30.45 ? N ALA 88 A 1 +ATOM 1906 C CA ALA 88 . . E 3 13.575 66.227 -4.192 1 32.4 ? CA ALA 88 A 1 +ATOM 1907 C C ALA 88 . . E 3 13.623 65.688 -5.59 1 33.41 ? C ALA 88 A 1 +ATOM 1908 O O ALA 88 . . E 3 13.683 66.465 -6.532 1 42.77 ? O ALA 88 A 1 +ATOM 1909 C CB ALA 88 . . E 3 12.311 66.975 -4.006 1 31.17 ? CB ALA 88 A 1 +ATOM 1910 N N LYS 89 . . E 3 13.631 64.37 -5.734 1 32.75 ? N LYS 89 A 1 +ATOM 1911 C CA LYS 89 . . E 3 13.653 63.75 -7.061 1 34.42 ? CA LYS 89 A 1 +ATOM 1912 C C LYS 89 . . E 3 12.225 63.831 -7.615 1 30.9 ? C LYS 89 A 1 +ATOM 1913 O O LYS 89 . . E 3 11.98 63.888 -8.825 1 32.55 ? O LYS 89 A 1 +ATOM 1914 C CB LYS 89 . . E 3 14.12 62.293 -6.93 1 35.68 ? CB LYS 89 A 1 +ATOM 1915 C CG LYS 89 . . E 3 14.923 61.824 -8.113 1 36.56 ? CG LYS 89 A 1 +ATOM 1916 C CD LYS 89 . . E 3 15.513 60.411 -7.969 1 34.14 ? CD LYS 89 A 1 +ATOM 1917 C CE LYS 89 . . E 3 14.535 59.261 -8.223 1 36.64 ? CE LYS 89 A 1 +ATOM 1918 N NZ LYS 89 . . E 3 13.699 58.787 -7.09 1 31.48 ? NZ LYS 89 A 1 +ATOM 1919 N N THR 90 . . E 3 11.295 63.843 -6.665 1 30.89 ? N THR 90 A 1 +ATOM 1920 C CA THR 90 . . E 3 9.86 63.965 -6.886 1 32.73 ? CA THR 90 A 1 +ATOM 1921 C C THR 90 . . E 3 9.328 64.859 -5.788 1 33.54 ? C THR 90 A 1 +ATOM 1922 O O THR 90 . . E 3 10.102 65.461 -5.047 1 40.04 ? O THR 90 A 1 +ATOM 1923 C CB THR 90 . . E 3 9.112 62.62 -6.779 1 34.98 ? CB THR 90 A 1 +ATOM 1924 O OG1 THR 90 . . E 3 9.45 62.011 -5.531 1 39.57 ? OG1 THR 90 A 1 +ATOM 1925 C CG2 THR 90 . . E 3 9.454 61.702 -7.948 1 40.12 ? CG2 THR 90 A 1 +ATOM 1926 N N ALA 91 . . E 3 8.018 64.961 -5.675 1 25.85 ? N ALA 91 A 1 +ATOM 1927 C CA ALA 91 . . E 3 7.469 65.797 -4.633 1 27.82 ? CA ALA 91 A 1 +ATOM 1928 C C ALA 91 . . E 3 7.696 65.15 -3.272 1 33.09 ? C ALA 91 A 1 +ATOM 1929 O O ALA 91 . . E 3 7.71 63.934 -3.167 1 40.41 ? O ALA 91 A 1 +ATOM 1930 C CB ALA 91 . . E 3 6.001 65.988 -4.906 1 33.09 ? CB ALA 91 A 1 +ATOM 1931 N N CYS 92 . . E 3 7.856 65.918 -2.207 1 36.14 ? N CYS 92 A 1 +ATOM 1932 C CA CYS 92 . . E 3 8.078 65.22 -0.961 1 44.77 ? CA CYS 92 A 1 +ATOM 1933 C C CYS 92 . . E 3 7.499 65.844 0.302 1 51.16 ? C CYS 92 A 1 +ATOM 1934 O O CYS 92 . . E 3 7.872 66.968 0.679 1 55 ? O CYS 92 A 1 +ATOM 1935 C CB CYS 92 . . E 3 9.562 65.046 -0.727 1 45.43 ? CB CYS 92 A 1 +ATOM 1936 S SG CYS 92 . . E 3 10.418 64.677 -2.19 1 41.87 ? SG CYS 92 A 1 +ATOM 1937 N N GLU 93 . . E 3 6.573 65.131 0.942 1 45.15 ? N GLU 93 A 1 +ATOM 1938 C CA GLU 93 . . E 3 6.115 65.568 2.247 1 40.07 ? CA GLU 93 A 1 +ATOM 1939 C C GLU 93 . . E 3 7.268 65.124 3.163 1 38.57 ? C GLU 93 A 1 +ATOM 1940 O O GLU 93 . . E 3 7.531 63.93 3.29 1 46 ? O GLU 93 A 1 +ATOM 1941 C CB GLU 93 . . E 3 4.852 64.846 2.683 1 40.37 ? CB GLU 93 A 1 +ATOM 1942 C CG GLU 93 . . E 3 3.622 65.062 1.879 1 43.07 ? CG GLU 93 A 1 +ATOM 1943 C CD GLU 93 . . E 3 2.458 64.267 2.448 1 46.73 ? CD GLU 93 A 1 +ATOM 1944 O OE1 GLU 93 . . E 3 2.482 63.886 3.656 1 45.91 ? OE1 GLU 93 A 1 +ATOM 1945 O OE2 GLU 93 . . E 3 1.512 64.026 1.669 1 50.53 ? OE2 GLU 93 A 1 +ATOM 1946 N N VAL 94 . . E 3 7.953 66.063 3.784 1 25.26 ? N VAL 94 A 1 +ATOM 1947 C CA VAL 94 . . E 3 9.118 65.773 4.592 1 19.52 ? CA VAL 94 A 1 +ATOM 1948 C C VAL 94 . . E 3 8.897 66.29 5.995 1 22.16 ? C VAL 94 A 1 +ATOM 1949 O O VAL 94 . . E 3 8.955 67.495 6.223 1 27.41 ? O VAL 94 A 1 +ATOM 1950 C CB VAL 94 . . E 3 10.345 66.451 3.948 1 27.22 ? CB VAL 94 A 1 +ATOM 1951 C CG1 VAL 94 . . E 3 11.586 66.291 4.798 1 34.77 ? CG1 VAL 94 A 1 +ATOM 1952 C CG2 VAL 94 . . E 3 10.571 65.836 2.611 1 34.72 ? CG2 VAL 94 A 1 +ATOM 1953 N N ALA 95 . . E 3 8.633 65.384 6.932 1 21.55 ? N ALA 95 A 1 +ATOM 1954 C CA ALA 95 . . E 3 8.413 65.749 8.331 1 19.89 ? CA ALA 95 A 1 +ATOM 1955 C C ALA 95 . . E 3 9.648 66.317 8.977 1 17.88 ? C ALA 95 A 1 +ATOM 1956 O O ALA 95 . . E 3 10.783 66.018 8.599 1 20.23 ? O ALA 95 A 1 +ATOM 1957 C CB ALA 95 . . E 3 7.982 64.536 9.155 1 23.5 ? CB ALA 95 A 1 +ATOM 1958 N N GLU 96 . . E 3 9.41 67.107 10.005 1 25.98 ? N GLU 96 A 1 +ATOM 1959 C CA GLU 96 . . E 3 10.49 67.661 10.767 1 29.5 ? CA GLU 96 A 1 +ATOM 1960 C C GLU 96 . . E 3 10.201 67.791 12.252 1 33.73 ? C GLU 96 A 1 +ATOM 1961 O O GLU 96 . . E 3 9.084 68.046 12.689 1 35.78 ? O GLU 96 A 1 +ATOM 1962 C CB GLU 96 . . E 3 10.866 69.051 10.274 1 27.63 ? CB GLU 96 A 1 +ATOM 1963 C CG GLU 96 . . E 3 11.637 69.106 9.007 1 32.63 ? CG GLU 96 A 1 +ATOM 1964 C CD GLU 96 . . E 3 10.858 69.759 7.912 1 44.18 ? CD GLU 96 A 1 +ATOM 1965 O OE1 GLU 96 . . E 3 11.466 70.476 7.088 1 45.71 ? OE1 GLU 96 A 1 +ATOM 1966 O OE2 GLU 96 . . E 3 9.629 69.551 7.882 1 53.2 ? OE2 GLU 96 A 1 +ATOM 1967 N N ILE 97 . . E 3 11.291 67.564 12.971 1 36.22 ? N ILE 97 A 1 +ATOM 1968 C CA ILE 97 . . E 3 11.52 67.749 14.392 1 37.13 ? CA ILE 97 A 1 +ATOM 1969 C C ILE 97 . . E 3 12.756 68.579 14.553 1 35.72 ? C ILE 97 A 1 +ATOM 1970 O O ILE 97 . . E 3 13.247 69.075 13.552 1 32.79 ? O ILE 97 A 1 +ATOM 1971 C CB ILE 97 . . E 3 11.823 66.431 15.203 1 36.02 ? CB ILE 97 A 1 +ATOM 1972 C CG1 ILE 97 . . E 3 11.163 65.223 14.564 1 35.7 ? CG1 ILE 97 A 1 +ATOM 1973 C CG2 ILE 97 . . E 3 11.213 66.545 16.624 1 24.59 ? CG2 ILE 97 A 1 +ATOM 1974 C CD1 ILE 97 . . E 3 11.442 63.942 15.305 1 39.9 ? CD1 ILE 97 A 1 +ATOM 1975 N N SER 98 . . E 3 13.287 68.758 15.749 1 40.49 ? N SER 98 A 1 +ATOM 1976 C CA SER 98 . . E 3 14.551 69.491 15.807 1 43.85 ? CA SER 98 A 1 +ATOM 1977 C C SER 98 . . E 3 15.48 68.575 16.566 1 42.09 ? C SER 98 A 1 +ATOM 1978 O O SER 98 . . E 3 15.022 67.554 17.113 1 41.2 ? O SER 98 A 1 +ATOM 1979 C CB SER 98 . . E 3 14.391 70.858 16.548 1 42.58 ? CB SER 98 A 1 +ATOM 1980 O OG SER 98 . . E 3 14.027 70.74 17.91 1 44.95 ? OG SER 98 A 1 +ATOM 1981 N N TYR 99 . . E 3 16.764 68.873 16.614 1 35.58 ? N TYR 99 A 1 +ATOM 1982 C CA TYR 99 . . E 3 17.617 67.921 17.281 1 38.18 ? CA TYR 99 A 1 +ATOM 1983 C C TYR 99 . . E 3 17.2 67.637 18.724 1 41.1 ? C TYR 99 A 1 +ATOM 1984 O O TYR 99 . . E 3 17.006 66.472 19.136 1 35.74 ? O TYR 99 A 1 +ATOM 1985 C CB TYR 99 . . E 3 19.056 68.436 17.217 1 32.98 ? CB TYR 99 A 1 +ATOM 1986 C CG TYR 99 . . E 3 19.697 68.18 15.859 1 25.49 ? CG TYR 99 A 1 +ATOM 1987 C CD1 TYR 99 . . E 3 18.969 67.607 14.814 1 29.95 ? CD1 TYR 99 A 1 +ATOM 1988 C CD2 TYR 99 . . E 3 21.021 68.488 15.627 1 22.03 ? CD2 TYR 99 A 1 +ATOM 1989 C CE1 TYR 99 . . E 3 19.544 67.349 13.585 1 23.04 ? CE1 TYR 99 A 1 +ATOM 1990 C CE2 TYR 99 . . E 3 21.607 68.239 14.409 1 19.43 ? CE2 TYR 99 A 1 +ATOM 1991 C CZ TYR 99 . . E 3 20.866 67.666 13.384 1 22.99 ? CZ TYR 99 A 1 +ATOM 1992 O OH TYR 99 . . E 3 21.449 67.402 12.167 1 22.8 ? OH TYR 99 A 1 +ATOM 1993 N N LYS 100 . . E 3 16.998 68.708 19.48 1 45.21 ? N LYS 100 A 1 +ATOM 1994 C CA LYS 100 . . E 3 16.676 68.561 20.889 1 43 ? CA LYS 100 A 1 +ATOM 1995 C C LYS 100 . . E 3 15.34 67.917 21.12 1 40.2 ? C LYS 100 A 1 +ATOM 1996 O O LYS 100 . . E 3 15.254 67.016 21.96 1 41.22 ? O LYS 100 A 1 +ATOM 1997 C CB LYS 100 . . E 3 16.724 69.934 21.591 1 35.73 ? CB LYS 100 A 1 +ATOM 1998 C CG LYS 100 . . E 3 18.161 70.482 21.72 1 29.76 ? CG LYS 100 A 1 +ATOM 1999 C CD LYS 100 . . E 3 18.414 71.768 20.923 1 33.34 ? CD LYS 100 A 1 +ATOM 2000 C CE LYS 100 . . E 3 18.21 71.711 19.371 1 32.98 ? CE LYS 100 A 1 +ATOM 2001 N NZ LYS 100 . . E 3 16.791 71.664 18.855 1 32.31 ? NZ LYS 100 A 1 +ATOM 2002 N N LYS 101 . . E 3 14.299 68.313 20.396 1 24.97 ? N LYS 101 A 1 +ATOM 2003 C CA LYS 101 . . E 3 13.056 67.66 20.732 1 29.84 ? CA LYS 101 A 1 +ATOM 2004 C C LYS 101 . . E 3 13.182 66.176 20.428 1 37.14 ? C LYS 101 A 1 +ATOM 2005 O O LYS 101 . . E 3 12.539 65.33 21.077 1 41.51 ? O LYS 101 A 1 +ATOM 2006 C CB LYS 101 . . E 3 11.893 68.258 19.947 1 37.74 ? CB LYS 101 A 1 +ATOM 2007 C CG LYS 101 . . E 3 10.519 67.818 20.523 1 43.67 ? CG LYS 101 A 1 +ATOM 2008 C CD LYS 101 . . E 3 10.494 68.057 22.042 1 43.49 ? CD LYS 101 A 1 +ATOM 2009 C CE LYS 101 . . E 3 9.179 67.691 22.696 1 50.32 ? CE LYS 101 A 1 +ATOM 2010 N NZ LYS 101 . . E 3 9.374 67.623 24.18 1 43.61 ? NZ LYS 101 A 1 +ATOM 2011 N N PHE 102 . . E 3 14.044 65.86 19.463 1 45.97 ? N PHE 102 A 1 +ATOM 2012 C CA PHE 102 . . E 3 14.285 64.473 19.109 1 40.49 ? CA PHE 102 A 1 +ATOM 2013 C C PHE 102 . . E 3 14.964 63.738 20.278 1 33.92 ? C PHE 102 A 1 +ATOM 2014 O O PHE 102 . . E 3 14.473 62.698 20.702 1 35.16 ? O PHE 102 A 1 +ATOM 2015 C CB PHE 102 . . E 3 15.173 64.382 17.859 1 30.78 ? CB PHE 102 A 1 +ATOM 2016 C CG PHE 102 . . E 3 15.397 62.981 17.421 1 19.48 ? CG PHE 102 A 1 +ATOM 2017 C CD1 PHE 102 . . E 3 14.377 62.268 16.87 1 21.14 ? CD1 PHE 102 A 1 +ATOM 2018 C CD2 PHE 102 . . E 3 16.623 62.382 17.582 1 26.31 ? CD2 PHE 102 A 1 +ATOM 2019 C CE1 PHE 102 . . E 3 14.565 60.979 16.484 1 25.78 ? CE1 PHE 102 A 1 +ATOM 2020 C CE2 PHE 102 . . E 3 16.836 61.075 17.197 1 28.19 ? CE2 PHE 102 A 1 +ATOM 2021 C CZ PHE 102 . . E 3 15.816 60.372 16.646 1 25.6 ? CZ PHE 102 A 1 +ATOM 2022 N N ARG 103 . . E 3 16.073 64.26 20.806 1 33.19 ? N ARG 103 A 1 +ATOM 2023 C CA ARG 103 . . E 3 16.729 63.605 21.947 1 37.05 ? CA ARG 103 A 1 +ATOM 2024 C C ARG 103 . . E 3 15.728 63.449 23.119 1 43.35 ? C ARG 103 A 1 +ATOM 2025 O O ARG 103 . . E 3 15.731 62.435 23.839 1 43.03 ? O ARG 103 A 1 +ATOM 2026 C CB ARG 103 . . E 3 17.916 64.432 22.421 1 33 ? CB ARG 103 A 1 +ATOM 2027 C CG ARG 103 . . E 3 18.814 64.818 21.332 1 24.18 ? CG ARG 103 A 1 +ATOM 2028 C CD ARG 103 . . E 3 19.932 65.615 21.893 1 28.95 ? CD ARG 103 A 1 +ATOM 2029 N NE ARG 103 . . E 3 20.518 66.415 20.82 1 35.23 ? NE ARG 103 A 1 +ATOM 2030 C CZ ARG 103 . . E 3 21.816 66.637 20.659 1 29.7 ? CZ ARG 103 A 1 +ATOM 2031 N NH1 ARG 103 . . E 3 22.71 66.122 21.495 1 30.43 ? NH1 ARG 103 A 1 +ATOM 2032 N NH2 ARG 103 . . E 3 22.221 67.395 19.658 1 38.48 ? NH2 ARG 103 A 1 +ATOM 2033 N N GLN 104 . . E 3 14.892 64.474 23.302 1 36.81 ? N GLN 104 A 1 +ATOM 2034 C CA GLN 104 . . E 3 13.846 64.47 24.308 1 35.02 ? CA GLN 104 A 1 +ATOM 2035 C C GLN 104 . . E 3 12.879 63.373 23.94 1 32.89 ? C GLN 104 A 1 +ATOM 2036 O O GLN 104 . . E 3 12.262 62.769 24.786 1 36.28 ? O GLN 104 A 1 +ATOM 2037 C CB GLN 104 . . E 3 13.14 65.842 24.331 1 45.28 ? CB GLN 104 A 1 +ATOM 2038 C CG GLN 104 . . E 3 13.956 66.951 25.042 1 47.48 ? CG GLN 104 A 1 +ATOM 2039 C CD GLN 104 . . E 3 13.487 68.386 24.755 1 53.21 ? CD GLN 104 A 1 +ATOM 2040 O OE1 GLN 104 . . E 3 12.301 68.727 24.868 1 48.25 ? OE1 GLN 104 A 1 +ATOM 2041 N NE2 GLN 104 . . E 3 14.444 69.236 24.383 1 52.3 ? NE2 GLN 104 A 1 +ATOM 2042 N N LEU 105 . . E 3 12.758 63.127 22.649 1 33.82 ? N LEU 105 A 1 +ATOM 2043 C CA LEU 105 . . E 3 11.908 62.077 22.132 1 34.59 ? CA LEU 105 A 1 +ATOM 2044 C C LEU 105 . . E 3 12.575 60.723 22.23 1 37.42 ? C LEU 105 A 1 +ATOM 2045 O O LEU 105 . . E 3 11.919 59.709 21.962 1 42.68 ? O LEU 105 A 1 +ATOM 2046 C CB LEU 105 . . E 3 11.579 62.342 20.677 1 45.85 ? CB LEU 105 A 1 +ATOM 2047 C CG LEU 105 . . E 3 10.73 63.542 20.304 1 43.79 ? CG LEU 105 A 1 +ATOM 2048 C CD1 LEU 105 . . E 3 10.92 63.884 18.835 1 50.06 ? CD1 LEU 105 A 1 +ATOM 2049 C CD2 LEU 105 . . E 3 9.304 63.229 20.645 1 43.91 ? CD2 LEU 105 A 1 +ATOM 2050 N N ILE 106 . . E 3 13.868 60.699 22.563 1 40.48 ? N ILE 106 A 1 +ATOM 2051 C CA ILE 106 . . E 3 14.614 59.434 22.677 1 42.64 ? CA ILE 106 A 1 +ATOM 2052 C C ILE 106 . . E 3 14.595 58.81 24.083 1 47.81 ? C ILE 106 A 1 +ATOM 2053 O O ILE 106 . . E 3 14.244 57.625 24.228 1 51.24 ? O ILE 106 A 1 +ATOM 2054 C CB ILE 106 . . E 3 16.105 59.544 22.372 1 36.82 ? CB ILE 106 A 1 +ATOM 2055 C CG1 ILE 106 . . E 3 16.359 60.281 21.078 1 41.93 ? CG1 ILE 106 A 1 +ATOM 2056 C CG2 ILE 106 . . E 3 16.661 58.133 22.176 1 42.11 ? CG2 ILE 106 A 1 +ATOM 2057 C CD1 ILE 106 . . E 3 17.837 60.397 20.805 1 39.03 ? CD1 ILE 106 A 1 +ATOM 2058 N N GLN 107 . . E 3 15.003 59.59 25.098 1 47.45 ? N GLN 107 A 1 +ATOM 2059 C CA GLN 107 . . E 3 15.083 59.127 26.491 1 44.95 ? CA GLN 107 A 1 +ATOM 2060 C C GLN 107 . . E 3 13.72 58.642 27.008 1 41.91 ? C GLN 107 A 1 +ATOM 2061 O O GLN 107 . . E 3 13.572 58.302 28.181 1 47.41 ? O GLN 107 A 1 +ATOM 2062 C CB GLN 107 . . E 3 15.637 60.284 27.346 1 52.08 ? CB GLN 107 A 1 +ATOM 2063 C CG GLN 107 . . E 3 16.568 59.913 28.541 1 52.32 ? CG GLN 107 A 1 +ATOM 2064 C CD GLN 107 . . E 3 15.862 59.661 29.885 1 55 ? CD GLN 107 A 1 +ATOM 2065 O OE1 GLN 107 . . E 3 16.185 58.702 30.591 1 52.6 ? OE1 GLN 107 A 1 +ATOM 2066 N NE2 GLN 107 . . E 3 14.917 60.537 30.251 1 52.61 ? NE2 GLN 107 A 1 +ATOM 2067 N N VAL 108 . . E 3 12.712 58.676 26.142 1 38.72 ? N VAL 108 A 1 +ATOM 2068 C CA VAL 108 . . E 3 11.36 58.338 26.538 1 41.32 ? CA VAL 108 A 1 +ATOM 2069 C C VAL 108 . . E 3 11.091 56.989 25.817 1 48.15 ? C VAL 108 A 1 +ATOM 2070 O O VAL 108 . . E 3 11.154 55.962 26.48 1 52.87 ? O VAL 108 A 1 +ATOM 2071 C CB VAL 108 . . E 3 10.315 59.411 26.071 1 47.46 ? CB VAL 108 A 1 +ATOM 2072 C CG1 VAL 108 . . E 3 8.914 59.04 26.584 1 52.09 ? CG1 VAL 108 A 1 +ATOM 2073 C CG2 VAL 108 . . E 3 10.692 60.777 26.618 1 50.35 ? CG2 VAL 108 A 1 +ATOM 2074 N N ASN 109 . . E 3 10.869 56.931 24.496 1 51.35 ? N ASN 109 A 1 +ATOM 2075 C CA ASN 109 . . E 3 10.745 55.637 23.727 1 50.46 ? CA ASN 109 A 1 +ATOM 2076 C C ASN 109 . . E 3 11.969 55.35 22.877 1 46.8 ? C ASN 109 A 1 +ATOM 2077 O O ASN 109 . . E 3 12.034 55.776 21.729 1 52.04 ? O ASN 109 A 1 +ATOM 2078 C CB ASN 109 . . E 3 9.546 55.532 22.769 1 54.74 ? CB ASN 109 A 1 +ATOM 2079 C CG ASN 109 . . E 3 9.575 54.228 21.942 1 55 ? CG ASN 109 A 1 +ATOM 2080 O OD1 ASN 109 . . E 3 10.471 53.395 22.102 1 50.39 ? OD1 ASN 109 A 1 +ATOM 2081 N ND2 ASN 109 . . E 3 8.596 54.056 21.062 1 55 ? ND2 ASN 109 A 1 +ATOM 2082 N N PRO 110 . . E 3 12.902 54.537 23.38 1 47.69 ? N PRO 110 A 1 +ATOM 2083 C CA PRO 110 . . E 3 14.184 54.312 22.696 1 45.67 ? CA PRO 110 A 1 +ATOM 2084 C C PRO 110 . . E 3 14.043 53.766 21.261 1 43.39 ? C PRO 110 A 1 +ATOM 2085 O O PRO 110 . . E 3 14.993 53.821 20.47 1 38.25 ? O PRO 110 A 1 +ATOM 2086 C CB PRO 110 . . E 3 14.914 53.371 23.652 1 44.78 ? CB PRO 110 A 1 +ATOM 2087 C CG PRO 110 . . E 3 13.754 52.501 24.152 1 43.86 ? CG PRO 110 A 1 +ATOM 2088 C CD PRO 110 . . E 3 12.804 53.626 24.564 1 46.08 ? CD PRO 110 A 1 +ATOM 2089 N N ASP 111 . . E 3 12.848 53.311 20.904 1 37.97 ? N ASP 111 A 1 +ATOM 2090 C CA ASP 111 . . E 3 12.653 52.671 19.625 1 39.63 ? CA ASP 111 A 1 +ATOM 2091 C C ASP 111 . . E 3 13.221 53.406 18.418 1 44.48 ? C ASP 111 A 1 +ATOM 2092 O O ASP 111 . . E 3 14.062 52.808 17.717 1 39.4 ? O ASP 111 A 1 +ATOM 2093 C CB ASP 111 . . E 3 11.161 52.423 19.393 1 48.25 ? CB ASP 111 A 1 +ATOM 2094 C CG ASP 111 . . E 3 10.895 51.126 18.591 1 48.08 ? CG ASP 111 A 1 +ATOM 2095 O OD1 ASP 111 . . E 3 11.851 50.322 18.419 1 43.79 ? OD1 ASP 111 A 1 +ATOM 2096 O OD2 ASP 111 . . E 3 9.738 50.901 18.145 1 47.39 ? OD2 ASP 111 A 1 +ATOM 2097 N N ILE 112 . . E 3 12.816 54.667 18.167 1 48.35 ? N ILE 112 A 1 +ATOM 2098 C CA ILE 112 . . E 3 13.295 55.373 16.956 1 44.75 ? CA ILE 112 A 1 +ATOM 2099 C C ILE 112 . . E 3 14.773 55.701 16.961 1 41.87 ? C ILE 112 A 1 +ATOM 2100 O O ILE 112 . . E 3 15.311 55.94 15.867 1 48.94 ? O ILE 112 A 1 +ATOM 2101 C CB ILE 112 . . E 3 12.531 56.748 16.647 1 36.77 ? CB ILE 112 A 1 +ATOM 2102 C CG1 ILE 112 . . E 3 12.367 57.586 17.918 1 37.3 ? CG1 ILE 112 A 1 +ATOM 2103 C CG2 ILE 112 . . E 3 11.223 56.426 15.958 1 34.08 ? CG2 ILE 112 A 1 +ATOM 2104 C CD1 ILE 112 . . E 3 13.649 58.261 18.423 1 36.8 ? CD1 ILE 112 A 1 +ATOM 2105 N N LEU 113 . . E 3 15.446 55.745 18.113 1 31.61 ? N LEU 113 A 1 +ATOM 2106 C CA LEU 113 . . E 3 16.881 55.939 17.971 1 27.12 ? CA LEU 113 A 1 +ATOM 2107 C C LEU 113 . . E 3 17.323 54.705 17.234 1 27.97 ? C LEU 113 A 1 +ATOM 2108 O O LEU 113 . . E 3 18.153 54.775 16.328 1 25.44 ? O LEU 113 A 1 +ATOM 2109 C CB LEU 113 . . E 3 17.656 55.983 19.294 1 22.58 ? CB LEU 113 A 1 +ATOM 2110 C CG LEU 113 . . E 3 19.141 56.235 18.988 1 18.06 ? CG LEU 113 A 1 +ATOM 2111 C CD1 LEU 113 . . E 3 19.228 57.151 17.782 1 19.08 ? CD1 LEU 113 A 1 +ATOM 2112 C CD2 LEU 113 . . E 3 19.853 56.889 20.172 1 20.1 ? CD2 LEU 113 A 1 +ATOM 2113 N N MET 114 . . E 3 16.709 53.581 17.605 1 26.77 ? N MET 114 A 1 +ATOM 2114 C CA MET 114 . . E 3 17.028 52.332 16.953 1 30.66 ? CA MET 114 A 1 +ATOM 2115 C C MET 114 . . E 3 16.657 52.385 15.517 1 32.97 ? C MET 114 A 1 +ATOM 2116 O O MET 114 . . E 3 17.494 52.024 14.703 1 45.97 ? O MET 114 A 1 +ATOM 2117 C CB MET 114 . . E 3 16.3 51.13 17.575 1 33.3 ? CB MET 114 A 1 +ATOM 2118 C CG MET 114 . . E 3 17.002 50.465 18.783 1 37.71 ? CG MET 114 A 1 +ATOM 2119 S SD MET 114 . . E 3 18.657 49.73 18.472 1 45.94 ? SD MET 114 A 1 +ATOM 2120 C CE MET 114 . . E 3 18.267 48.085 17.927 1 48.02 ? CE MET 114 A 1 +ATOM 2121 N N ARG 115 . . E 3 15.449 52.827 15.17 1 34.44 ? N ARG 115 A 1 +ATOM 2122 C CA ARG 115 . . E 3 15.096 52.839 13.735 1 34.05 ? CA ARG 115 A 1 +ATOM 2123 C C ARG 115 . . E 3 15.974 53.78 12.918 1 25.98 ? C ARG 115 A 1 +ATOM 2124 O O ARG 115 . . E 3 16.183 53.55 11.743 1 28.7 ? O ARG 115 A 1 +ATOM 2125 C CB ARG 115 . . E 3 13.595 53.211 13.52 1 28.57 ? CB ARG 115 A 1 +ATOM 2126 C CG ARG 115 . . E 3 12.626 51.996 13.837 1 24.98 ? CG ARG 115 A 1 +ATOM 2127 C CD ARG 115 . . E 3 11.093 52.206 13.574 1 27.12 ? CD ARG 115 A 1 +ATOM 2128 N NE ARG 115 . . E 3 10.28 51.531 14.598 1 28.89 ? NE ARG 115 A 1 +ATOM 2129 C CZ ARG 115 . . E 3 8.998 51.138 14.498 1 35.35 ? CZ ARG 115 A 1 +ATOM 2130 N NH1 ARG 115 . . E 3 8.269 51.314 13.393 1 27.17 ? NH1 ARG 115 A 1 +ATOM 2131 N NH2 ARG 115 . . E 3 8.405 50.582 15.559 1 34.01 ? NH2 ARG 115 A 1 +ATOM 2132 N N LEU 116 . . E 3 16.528 54.815 13.517 1 25.4 ? N LEU 116 A 1 +ATOM 2133 C CA LEU 116 . . E 3 17.41 55.673 12.75 1 20.29 ? CA LEU 116 A 1 +ATOM 2134 C C LEU 116 . . E 3 18.768 54.96 12.568 1 27.21 ? C LEU 116 A 1 +ATOM 2135 O O LEU 116 . . E 3 19.22 54.727 11.451 1 37.2 ? O LEU 116 A 1 +ATOM 2136 C CB LEU 116 . . E 3 17.569 56.99 13.497 1 24.72 ? CB LEU 116 A 1 +ATOM 2137 C CG LEU 116 . . E 3 18.483 58.072 12.934 1 27.81 ? CG LEU 116 A 1 +ATOM 2138 C CD1 LEU 116 . . E 3 17.667 59.205 12.381 1 33.13 ? CD1 LEU 116 A 1 +ATOM 2139 C CD2 LEU 116 . . E 3 19.365 58.61 14.058 1 30.23 ? CD2 LEU 116 A 1 +ATOM 2140 N N SER 117 . . E 3 19.415 54.578 13.662 1 38.07 ? N SER 117 A 1 +ATOM 2141 C CA SER 117 . . E 3 20.719 53.884 13.625 1 36.79 ? CA SER 117 A 1 +ATOM 2142 C C SER 117 . . E 3 20.775 52.74 12.617 1 37.19 ? C SER 117 A 1 +ATOM 2143 O O SER 117 . . E 3 21.813 52.478 11.992 1 42.34 ? O SER 117 A 1 +ATOM 2144 C CB SER 117 . . E 3 21.069 53.295 14.996 1 38.67 ? CB SER 117 A 1 +ATOM 2145 O OG SER 117 . . E 3 21.44 54.306 15.913 1 36.02 ? OG SER 117 A 1 +ATOM 2146 N N ALA 118 . . E 3 19.663 52.04 12.476 1 22.6 ? N ALA 118 A 1 +ATOM 2147 C CA ALA 118 . . E 3 19.629 50.945 11.554 1 19.84 ? CA ALA 118 A 1 +ATOM 2148 C C ALA 118 . . E 3 19.901 51.44 10.131 1 22.4 ? C ALA 118 A 1 +ATOM 2149 O O ALA 118 . . E 3 20.735 50.855 9.421 1 27.22 ? O ALA 118 A 1 +ATOM 2150 C CB ALA 118 . . E 3 18.265 50.268 11.648 1 24.15 ? CB ALA 118 A 1 +ATOM 2151 N N GLN 119 . . E 3 19.221 52.526 9.727 1 28.22 ? N GLN 119 A 1 +ATOM 2152 C CA GLN 119 . . E 3 19.362 53.105 8.372 1 24.21 ? CA GLN 119 A 1 +ATOM 2153 C C GLN 119 . . E 3 20.757 53.58 8.133 1 23.19 ? C GLN 119 A 1 +ATOM 2154 O O GLN 119 . . E 3 21.231 53.51 7.012 1 30.33 ? O GLN 119 A 1 +ATOM 2155 C CB GLN 119 . . E 3 18.427 54.288 8.166 1 18.3 ? CB GLN 119 A 1 +ATOM 2156 C CG GLN 119 . . E 3 16.947 53.888 8.132 1 17.35 ? CG GLN 119 A 1 +ATOM 2157 C CD GLN 119 . . E 3 16.015 55.084 8.034 1 14.29 ? CD GLN 119 A 1 +ATOM 2158 O OE1 GLN 119 . . E 3 16.451 56.249 7.981 1 17.8 ? OE1 GLN 119 A 1 +ATOM 2159 N NE2 GLN 119 . . E 3 14.723 54.806 7.998 1 7.09 ? NE2 GLN 119 A 1 +ATOM 2160 N N MET 120 . . E 3 21.414 54.052 9.186 1 19.53 ? N MET 120 A 1 +ATOM 2161 C CA MET 120 . . E 3 22.786 54.523 9.091 1 14.14 ? CA MET 120 A 1 +ATOM 2162 C C MET 120 . . E 3 23.732 53.344 9.01 1 14.33 ? C MET 120 A 1 +ATOM 2163 O O MET 120 . . E 3 24.902 53.517 8.733 1 24.43 ? O MET 120 A 1 +ATOM 2164 C CB MET 120 . . E 3 23.191 55.363 10.317 1 19.81 ? CB MET 120 A 1 +ATOM 2165 C CG MET 120 . . E 3 22.223 56.439 10.763 1 19.08 ? CG MET 120 A 1 +ATOM 2166 S SD MET 120 . . E 3 23.222 57.697 11.506 1 23.1 ? SD MET 120 A 1 +ATOM 2167 C CE MET 120 . . E 3 23.537 57.081 13.075 1 10.79 ? CE MET 120 A 1 +ATOM 2168 N N ALA 121 . . E 3 23.259 52.145 9.311 1 20.5 ? N ALA 121 A 1 +ATOM 2169 C CA ALA 121 . . E 3 24.121 50.97 9.204 1 18.62 ? CA ALA 121 A 1 +ATOM 2170 C C ALA 121 . . E 3 24.156 50.56 7.731 1 18.96 ? C ALA 121 A 1 +ATOM 2171 O O ALA 121 . . E 3 25.211 50.337 7.152 1 15.12 ? O ALA 121 A 1 +ATOM 2172 C CB ALA 121 . . E 3 23.56 49.851 10.061 1 17.1 ? CB ALA 121 A 1 +ATOM 2173 N N ARG 122 . . E 3 22.987 50.464 7.119 1 20.5 ? N ARG 122 A 1 +ATOM 2174 C CA ARG 122 . . E 3 22.92 50.153 5.698 1 18.16 ? CA ARG 122 A 1 +ATOM 2175 C C ARG 122 . . E 3 23.799 51.131 4.94 1 21.1 ? C ARG 122 A 1 +ATOM 2176 O O ARG 122 . . E 3 24.712 50.739 4.2 1 27.08 ? O ARG 122 A 1 +ATOM 2177 C CB ARG 122 . . E 3 21.519 50.315 5.131 1 26.23 ? CB ARG 122 A 1 +ATOM 2178 C CG ARG 122 . . E 3 20.632 49.118 4.997 1 32.55 ? CG ARG 122 A 1 +ATOM 2179 C CD ARG 122 . . E 3 21.245 48.032 4.128 1 36.45 ? CD ARG 122 A 1 +ATOM 2180 N NE ARG 122 . . E 3 22.133 47.193 4.924 1 29.17 ? NE ARG 122 A 1 +ATOM 2181 C CZ ARG 122 . . E 3 21.705 46.407 5.904 1 31.31 ? CZ ARG 122 A 1 +ATOM 2182 N NH1 ARG 122 . . E 3 20.404 46.36 6.189 1 15.69 ? NH1 ARG 122 A 1 +ATOM 2183 N NH2 ARG 122 . . E 3 22.574 45.687 6.608 1 34.39 ? NH2 ARG 122 A 1 +ATOM 2184 N N ARG 123 . . E 3 23.537 52.422 5.137 1 13.99 ? N ARG 123 A 1 +ATOM 2185 C CA ARG 123 . . E 3 24.27 53.428 4.383 1 6 ? CA ARG 123 A 1 +ATOM 2186 C C ARG 123 . . E 3 25.763 53.258 4.407 1 6 ? C ARG 123 A 1 +ATOM 2187 O O ARG 123 . . E 3 26.442 53.5 3.42 1 15.85 ? O ARG 123 A 1 +ATOM 2188 C CB ARG 123 . . E 3 23.933 54.805 4.895 1 6 ? CB ARG 123 A 1 +ATOM 2189 C CG ARG 123 . . E 3 22.506 55.089 4.676 1 6 ? CG ARG 123 A 1 +ATOM 2190 C CD ARG 123 . . E 3 22.106 56.403 5.197 1 10.26 ? CD ARG 123 A 1 +ATOM 2191 N NE ARG 123 . . E 3 20.651 56.496 5.193 1 13.27 ? NE ARG 123 A 1 +ATOM 2192 C CZ ARG 123 . . E 3 20.015 57.592 5.59 1 13.62 ? CZ ARG 123 A 1 +ATOM 2193 N NH1 ARG 123 . . E 3 20.722 58.637 6.011 1 14.69 ? NH1 ARG 123 A 1 +ATOM 2194 N NH2 ARG 123 . . E 3 18.689 57.658 5.531 1 16.88 ? NH2 ARG 123 A 1 +ATOM 2195 N N LEU 124 . . E 3 26.319 52.814 5.505 1 9.91 ? N LEU 124 A 1 +ATOM 2196 C CA LEU 124 . . E 3 27.761 52.718 5.489 1 11.28 ? CA LEU 124 A 1 +ATOM 2197 C C LEU 124 . . E 3 28.113 51.476 4.713 1 10.41 ? C LEU 124 A 1 +ATOM 2198 O O LEU 124 . . E 3 29.233 51.355 4.194 1 16.33 ? O LEU 124 A 1 +ATOM 2199 C CB LEU 124 . . E 3 28.307 52.645 6.931 1 6.34 ? CB LEU 124 A 1 +ATOM 2200 C CG LEU 124 . . E 3 29.815 52.737 7.161 1 12.65 ? CG LEU 124 A 1 +ATOM 2201 C CD1 LEU 124 . . E 3 30.422 54.077 6.678 1 6 ? CD1 LEU 124 A 1 +ATOM 2202 C CD2 LEU 124 . . E 3 30.005 52.537 8.664 1 16 ? CD2 LEU 124 A 1 +ATOM 2203 N N GLN 125 . . E 3 27.19 50.518 4.66 1 7.92 ? N GLN 125 A 1 +ATOM 2204 C CA GLN 125 . . E 3 27.51 49.324 3.878 1 8.94 ? CA GLN 125 A 1 +ATOM 2205 C C GLN 125 . . E 3 27.444 49.722 2.431 1 8.42 ? C GLN 125 A 1 +ATOM 2206 O O GLN 125 . . E 3 28.398 49.513 1.683 1 17.44 ? O GLN 125 A 1 +ATOM 2207 C CB GLN 125 . . E 3 26.517 48.203 4.105 1 15.87 ? CB GLN 125 A 1 +ATOM 2208 C CG GLN 125 . . E 3 26.741 47.346 5.288 1 16.47 ? CG GLN 125 A 1 +ATOM 2209 C CD GLN 125 . . E 3 25.516 46.564 5.541 1 15.39 ? CD GLN 125 A 1 +ATOM 2210 O OE1 GLN 125 . . E 3 24.528 47.149 5.871 1 21.61 ? OE1 GLN 125 A 1 +ATOM 2211 N NE2 GLN 125 . . E 3 25.545 45.247 5.346 1 28.19 ? NE2 GLN 125 A 1 +ATOM 2212 N N VAL 126 . . E 3 26.347 50.346 2.042 1 6 ? N VAL 126 A 1 +ATOM 2213 C CA VAL 126 . . E 3 26.253 50.702 0.67 1 6 ? CA VAL 126 A 1 +ATOM 2214 C C VAL 126 . . E 3 27.383 51.622 0.227 1 8.1 ? C VAL 126 A 1 +ATOM 2215 O O VAL 126 . . E 3 27.978 51.406 -0.846 1 17.67 ? O VAL 126 A 1 +ATOM 2216 C CB VAL 126 . . E 3 24.928 51.357 0.416 1 6 ? CB VAL 126 A 1 +ATOM 2217 C CG1 VAL 126 . . E 3 24.803 51.78 -1.051 1 13.12 ? CG1 VAL 126 A 1 +ATOM 2218 C CG2 VAL 126 . . E 3 23.849 50.36 0.749 1 7.74 ? CG2 VAL 126 A 1 +ATOM 2219 N N THR 127 . . E 3 27.721 52.604 1.052 1 6 ? N THR 127 A 1 +ATOM 2220 C CA THR 127 . . E 3 28.733 53.532 0.69 1 6 ? CA THR 127 A 1 +ATOM 2221 C C THR 127 . . E 3 30.055 52.911 0.657 1 6 ? C THR 127 A 1 +ATOM 2222 O O THR 127 . . E 3 30.918 53.374 -0.087 1 13.11 ? O THR 127 A 1 +ATOM 2223 C CB THR 127 . . E 3 28.745 54.701 1.657 1 11.39 ? CB THR 127 A 1 +ATOM 2224 O OG1 THR 127 . . E 3 27.427 55.255 1.683 1 13.01 ? OG1 THR 127 A 1 +ATOM 2225 C CG2 THR 127 . . E 3 29.694 55.832 1.192 1 6 ? CG2 THR 127 A 1 +ATOM 2226 N N SER 128 . . E 3 30.259 51.878 1.462 1 12.31 ? N SER 128 A 1 +ATOM 2227 C CA SER 128 . . E 3 31.563 51.178 1.477 1 14.09 ? CA SER 128 A 1 +ATOM 2228 C C SER 128 . . E 3 31.762 50.427 0.187 1 10.53 ? C SER 128 A 1 +ATOM 2229 O O SER 128 . . E 3 32.861 50.334 -0.308 1 6 ? O SER 128 A 1 +ATOM 2230 C CB SER 128 . . E 3 31.655 50.17 2.631 1 10.98 ? CB SER 128 A 1 +ATOM 2231 O OG SER 128 . . E 3 31.974 50.83 3.844 1 14.25 ? OG SER 128 A 1 +ATOM 2232 N N GLU 129 . . E 3 30.65 49.883 -0.309 1 20.35 ? N GLU 129 A 1 +ATOM 2233 C CA GLU 129 . . E 3 30.589 49.141 -1.543 1 23.84 ? CA GLU 129 A 1 +ATOM 2234 C C GLU 129 . . E 3 30.949 50.11 -2.668 1 22.94 ? C GLU 129 A 1 +ATOM 2235 O O GLU 129 . . E 3 31.856 49.806 -3.488 1 22.27 ? O GLU 129 A 1 +ATOM 2236 C CB GLU 129 . . E 3 29.173 48.588 -1.726 1 23.35 ? CB GLU 129 A 1 +ATOM 2237 C CG GLU 129 . . E 3 28.958 47.628 -2.886 1 25.33 ? CG GLU 129 A 1 +ATOM 2238 C CD GLU 129 . . E 3 27.5 47.672 -3.411 1 40.56 ? CD GLU 129 A 1 +ATOM 2239 O OE1 GLU 129 . . E 3 26.597 48.146 -2.682 1 38.47 ? OE1 GLU 129 A 1 +ATOM 2240 O OE2 GLU 129 . . E 3 27.238 47.256 -4.573 1 47.9 ? OE2 GLU 129 A 1 +ATOM 2241 N N LYS 130 . . E 3 30.272 51.27 -2.686 1 9.38 ? N LYS 130 A 1 +ATOM 2242 C CA LYS 130 . . E 3 30.55 52.281 -3.708 1 7.04 ? CA LYS 130 A 1 +ATOM 2243 C C LYS 130 . . E 3 32.003 52.608 -3.794 1 7.28 ? C LYS 130 A 1 +ATOM 2244 O O LYS 130 . . E 3 32.503 52.849 -4.882 1 13.23 ? O LYS 130 A 1 +ATOM 2245 C CB LYS 130 . . E 3 29.827 53.602 -3.455 1 8.63 ? CB LYS 130 A 1 +ATOM 2246 C CG LYS 130 . . E 3 30.187 54.652 -4.516 1 12.81 ? CG LYS 130 A 1 +ATOM 2247 C CD LYS 130 . . E 3 29.368 55.948 -4.45 1 16.18 ? CD LYS 130 A 1 +ATOM 2248 C CE LYS 130 . . E 3 27.935 55.78 -4.926 1 12.95 ? CE LYS 130 A 1 +ATOM 2249 N NZ LYS 130 . . E 3 27.781 56.616 -6.148 1 22.3 ? NZ LYS 130 A 1 +ATOM 2250 N N VAL 131 . . E 3 32.684 52.656 -2.652 1 8.09 ? N VAL 131 A 1 +ATOM 2251 C CA VAL 131 . . E 3 34.114 52.926 -2.69 1 7.49 ? CA VAL 131 A 1 +ATOM 2252 C C VAL 131 . . E 3 34.848 51.662 -3.126 1 8.99 ? C VAL 131 A 1 +ATOM 2253 O O VAL 131 . . E 3 36.014 51.685 -3.466 1 19.06 ? O VAL 131 A 1 +ATOM 2254 C CB VAL 131 . . E 3 34.6 53.392 -1.305 1 6 ? CB VAL 131 A 1 +ATOM 2255 C CG1 VAL 131 . . E 3 36.077 53.814 -1.366 1 6 ? CG1 VAL 131 A 1 +ATOM 2256 C CG2 VAL 131 . . E 3 33.742 54.559 -0.858 1 6 ? CG2 VAL 131 A 1 +ATOM 2257 N N GLY 132 . . E 3 34.178 50.519 -3.073 1 11.39 ? N GLY 132 A 1 +ATOM 2258 C CA GLY 132 . . E 3 34.81 49.342 -3.623 1 6.63 ? CA GLY 132 A 1 +ATOM 2259 C C GLY 132 . . E 3 34.719 49.479 -5.15 1 13.79 ? C GLY 132 A 1 +ATOM 2260 O O GLY 132 . . E 3 35.727 49.433 -5.891 1 6 ? O GLY 132 A 1 +ATOM 2261 N N ASN 133 . . E 3 33.493 49.698 -5.632 1 13.46 ? N ASN 133 A 1 +ATOM 2262 C CA ASN 133 . . E 3 33.268 49.866 -7.061 1 15.82 ? CA ASN 133 A 1 +ATOM 2263 C C ASN 133 . . E 3 34.171 50.944 -7.692 1 15.49 ? C ASN 133 A 1 +ATOM 2264 O O ASN 133 . . E 3 34.839 50.661 -8.681 1 23.4 ? O ASN 133 A 1 +ATOM 2265 C CB ASN 133 . . E 3 31.793 50.185 -7.281 1 16.61 ? CB ASN 133 A 1 +ATOM 2266 C CG ASN 133 . . E 3 30.907 49.006 -6.889 1 28 ? CG ASN 133 A 1 +ATOM 2267 O OD1 ASN 133 . . E 3 31.415 47.957 -6.479 1 32.39 ? OD1 ASN 133 A 1 +ATOM 2268 N ND2 ASN 133 . . E 3 29.592 49.165 -7.004 1 21.42 ? ND2 ASN 133 A 1 +ATOM 2269 N N LEU 134 . . E 3 34.261 52.142 -7.13 1 14.32 ? N LEU 134 A 1 +ATOM 2270 C CA LEU 134 . . E 3 35.111 53.17 -7.727 1 6 ? CA LEU 134 A 1 +ATOM 2271 C C LEU 134 . . E 3 36.531 52.736 -7.784 1 6 ? C LEU 134 A 1 +ATOM 2272 O O LEU 134 . . E 3 37.214 52.973 -8.747 1 6 ? O LEU 134 A 1 +ATOM 2273 C CB LEU 134 . . E 3 35.015 54.456 -6.923 1 6.52 ? CB LEU 134 A 1 +ATOM 2274 C CG LEU 134 . . E 3 33.641 55.101 -7.002 1 6 ? CG LEU 134 A 1 +ATOM 2275 C CD1 LEU 134 . . E 3 33.357 56.084 -5.916 1 6 ? CD1 LEU 134 A 1 +ATOM 2276 C CD2 LEU 134 . . E 3 33.643 55.812 -8.335 1 8.39 ? CD2 LEU 134 A 1 +ATOM 2277 N N ALA 135 . . E 3 36.988 52.081 -6.744 1 6 ? N ALA 135 A 1 +ATOM 2278 C CA ALA 135 . . E 3 38.371 51.661 -6.713 1 7.49 ? CA ALA 135 A 1 +ATOM 2279 C C ALA 135 . . E 3 38.695 50.369 -7.487 1 13.28 ? C ALA 135 A 1 +ATOM 2280 O O ALA 135 . . E 3 39.851 50.177 -7.925 1 10.07 ? O ALA 135 A 1 +ATOM 2281 C CB ALA 135 . . E 3 38.788 51.493 -5.287 1 8.22 ? CB ALA 135 A 1 +ATOM 2282 N N PHE 136 . . E 3 37.733 49.463 -7.644 1 11.22 ? N PHE 136 A 1 +ATOM 2283 C CA PHE 136 . . E 3 38.05 48.207 -8.336 1 12.27 ? CA PHE 136 A 1 +ATOM 2284 C C PHE 136 . . E 3 37.51 48.069 -9.758 1 18.15 ? C PHE 136 A 1 +ATOM 2285 O O PHE 136 . . E 3 38.24 47.615 -10.625 1 20.61 ? O PHE 136 A 1 +ATOM 2286 C CB PHE 136 . . E 3 37.527 47.002 -7.554 1 15.98 ? CB PHE 136 A 1 +ATOM 2287 C CG PHE 136 . . E 3 38.115 46.833 -6.169 1 9.7 ? CG PHE 136 A 1 +ATOM 2288 C CD1 PHE 136 . . E 3 39.408 47.235 -5.89 1 6 ? CD1 PHE 136 A 1 +ATOM 2289 C CD2 PHE 136 . . E 3 37.351 46.237 -5.17 1 8.62 ? CD2 PHE 136 A 1 +ATOM 2290 C CE1 PHE 136 . . E 3 39.936 47.057 -4.674 1 10.48 ? CE1 PHE 136 A 1 +ATOM 2291 C CE2 PHE 136 . . E 3 37.867 46.05 -3.94 1 15.19 ? CE2 PHE 136 A 1 +ATOM 2292 C CZ PHE 136 . . E 3 39.17 46.463 -3.679 1 7.26 ? CZ PHE 136 A 1 +ATOM 2293 N N LEU 137 . . E 3 36.246 48.412 -10.001 1 14.88 ? N LEU 137 A 1 +ATOM 2294 C CA LEU 137 . . E 3 35.623 48.245 -11.33 1 14.02 ? CA LEU 137 A 1 +ATOM 2295 C C LEU 137 . . E 3 36.005 49.277 -12.358 1 16.69 ? C LEU 137 A 1 +ATOM 2296 O O LEU 137 . . E 3 36.425 50.377 -12.007 1 18.42 ? O LEU 137 A 1 +ATOM 2297 C CB LEU 137 . . E 3 34.095 48.285 -11.246 1 13.92 ? CB LEU 137 A 1 +ATOM 2298 C CG LEU 137 . . E 3 33.285 46.992 -11.118 1 18.52 ? CG LEU 137 A 1 +ATOM 2299 C CD1 LEU 137 . . E 3 34.235 45.819 -11.204 1 13.9 ? CD1 LEU 137 A 1 +ATOM 2300 C CD2 LEU 137 . . E 3 32.528 46.974 -9.862 1 10.79 ? CD2 LEU 137 A 1 +ATOM 2301 N N ASP 138 . . E 3 35.892 48.909 -13.638 1 18.47 ? N ASP 138 A 1 +ATOM 2302 C CA ASP 138 . . E 3 36.075 49.9 -14.701 1 20.43 ? CA ASP 138 A 1 +ATOM 2303 C C ASP 138 . . E 3 34.683 50.375 -15.058 1 15.8 ? C ASP 138 A 1 +ATOM 2304 O O ASP 138 . . E 3 33.692 49.779 -14.642 1 21.43 ? O ASP 138 A 1 +ATOM 2305 C CB ASP 138 . . E 3 36.789 49.316 -15.979 1 24.22 ? CB ASP 138 A 1 +ATOM 2306 C CG ASP 138 . . E 3 36.089 48.116 -16.621 1 26.66 ? CG ASP 138 A 1 +ATOM 2307 O OD1 ASP 138 . . E 3 34.874 47.871 -16.389 1 28.12 ? OD1 ASP 138 A 1 +ATOM 2308 O OD2 ASP 138 . . E 3 36.802 47.41 -17.38 1 19.3 ? OD2 ASP 138 A 1 +ATOM 2309 N N VAL 139 . . E 3 34.597 51.415 -15.863 1 11.09 ? N VAL 139 A 1 +ATOM 2310 C CA VAL 139 . . E 3 33.297 51.997 -16.168 1 10.6 ? CA VAL 139 A 1 +ATOM 2311 C C VAL 139 . . E 3 32.211 50.99 -16.565 1 8.76 ? C VAL 139 A 1 +ATOM 2312 O O VAL 139 . . E 3 31.141 50.991 -15.947 1 19.97 ? O VAL 139 A 1 +ATOM 2313 C CB VAL 139 . . E 3 33.421 53.06 -17.306 1 23.65 ? CB VAL 139 A 1 +ATOM 2314 C CG1 VAL 139 . . E 3 32.126 53.838 -17.415 1 27.54 ? CG1 VAL 139 A 1 +ATOM 2315 C CG2 VAL 139 . . E 3 34.571 54.013 -17.013 1 27.6 ? CG2 VAL 139 A 1 +ATOM 2316 N N THR 140 . . E 3 32.412 50.135 -17.554 1 6.9 ? N THR 140 A 1 +ATOM 2317 C CA THR 140 . . E 3 31.315 49.225 -17.879 1 6 ? CA THR 140 A 1 +ATOM 2318 C C THR 140 . . E 3 30.966 48.455 -16.624 1 6 ? C THR 140 A 1 +ATOM 2319 O O THR 140 . . E 3 29.806 48.228 -16.34 1 11.3 ? O THR 140 A 1 +ATOM 2320 C CB THR 140 . . E 3 31.727 48.261 -19.009 1 9.97 ? CB THR 140 A 1 +ATOM 2321 O OG1 THR 140 . . E 3 32.537 48.964 -19.966 1 14.22 ? OG1 THR 140 A 1 +ATOM 2322 C CG2 THR 140 . . E 3 30.481 47.773 -19.787 1 8.92 ? CG2 THR 140 A 1 +ATOM 2323 N N GLY 141 . . E 3 31.974 48.094 -15.842 1 6 ? N GLY 141 A 1 +ATOM 2324 C CA GLY 141 . . E 3 31.715 47.429 -14.582 1 6 ? CA GLY 141 A 1 +ATOM 2325 C C GLY 141 . . E 3 30.776 48.28 -13.774 1 6 ? C GLY 141 A 1 +ATOM 2326 O O GLY 141 . . E 3 29.593 47.947 -13.632 1 6 ? O GLY 141 A 1 +ATOM 2327 N N ARG 142 . . E 3 31.269 49.41 -13.275 1 8.33 ? N ARG 142 A 1 +ATOM 2328 C CA ARG 142 . . E 3 30.418 50.321 -12.491 1 8.67 ? CA ARG 142 A 1 +ATOM 2329 C C ARG 142 . . E 3 29.06 50.64 -13.185 1 14.33 ? C ARG 142 A 1 +ATOM 2330 O O ARG 142 . . E 3 28.063 50.771 -12.491 1 24.43 ? O ARG 142 A 1 +ATOM 2331 C CB ARG 142 . . E 3 31.098 51.673 -12.239 1 14.77 ? CB ARG 142 A 1 +ATOM 2332 C CG ARG 142 . . E 3 32.577 51.727 -11.785 1 15.47 ? CG ARG 142 A 1 +ATOM 2333 C CD ARG 142 . . E 3 32.89 53.245 -11.747 1 12.12 ? CD ARG 142 A 1 +ATOM 2334 N NE ARG 142 . . E 3 34.264 53.647 -12.052 1 17.85 ? NE ARG 142 A 1 +ATOM 2335 C CZ ARG 142 . . E 3 34.586 54.785 -12.682 1 28.81 ? CZ ARG 142 A 1 +ATOM 2336 N NH1 ARG 142 . . E 3 33.637 55.641 -13.081 1 17.92 ? NH1 ARG 142 A 1 +ATOM 2337 N NH2 ARG 142 . . E 3 35.862 55.074 -12.932 1 30.01 ? NH2 ARG 142 A 1 +ATOM 2338 N N ILE 143 . . E 3 28.963 50.798 -14.504 1 9.1 ? N ILE 143 A 1 +ATOM 2339 C CA ILE 143 . . E 3 27.638 51.093 -15.077 1 13.32 ? CA ILE 143 A 1 +ATOM 2340 C C ILE 143 . . E 3 26.683 49.885 -15.028 1 9.08 ? C ILE 143 A 1 +ATOM 2341 O O ILE 143 . . E 3 25.474 50.048 -14.825 1 9.51 ? O ILE 143 A 1 +ATOM 2342 C CB ILE 143 . . E 3 27.719 51.531 -16.546 1 7.25 ? CB ILE 143 A 1 +ATOM 2343 C CG1 ILE 143 . . E 3 28.51 52.823 -16.666 1 11.11 ? CG1 ILE 143 A 1 +ATOM 2344 C CG2 ILE 143 . . E 3 26.347 51.82 -17.057 1 6 ? CG2 ILE 143 A 1 +ATOM 2345 C CD1 ILE 143 . . E 3 28.858 53.219 -18.07 1 9.93 ? CD1 ILE 143 A 1 +ATOM 2346 N N ALA 144 . . E 3 27.199 48.677 -15.211 1 16 ? N ALA 144 A 1 +ATOM 2347 C CA ALA 144 . . E 3 26.341 47.473 -15.131 1 18.2 ? CA ALA 144 A 1 +ATOM 2348 C C ALA 144 . . E 3 25.727 47.342 -13.74 1 17.06 ? C ALA 144 A 1 +ATOM 2349 O O ALA 144 . . E 3 24.539 47.038 -13.595 1 6.15 ? O ALA 144 A 1 +ATOM 2350 C CB ALA 144 . . E 3 27.159 46.196 -15.427 1 6 ? CB ALA 144 A 1 +ATOM 2351 N N GLN 145 . . E 3 26.591 47.54 -12.736 1 23.1 ? N GLN 145 A 1 +ATOM 2352 C CA GLN 145 . . E 3 26.27 47.467 -11.307 1 18.67 ? CA GLN 145 A 1 +ATOM 2353 C C GLN 145 . . E 3 25.226 48.538 -10.963 1 21.12 ? C GLN 145 A 1 +ATOM 2354 O O GLN 145 . . E 3 24.215 48.214 -10.337 1 28.84 ? O GLN 145 A 1 +ATOM 2355 C CB GLN 145 . . E 3 27.546 47.684 -10.501 1 21.31 ? CB GLN 145 A 1 +ATOM 2356 C CG GLN 145 . . E 3 27.602 47.047 -9.123 1 33.02 ? CG GLN 145 A 1 +ATOM 2357 C CD GLN 145 . . E 3 27.873 45.537 -9.172 1 45.71 ? CD GLN 145 A 1 +ATOM 2358 O OE1 GLN 145 . . E 3 28.954 45.073 -9.599 1 34.24 ? OE1 GLN 145 A 1 +ATOM 2359 N NE2 GLN 145 . . E 3 26.888 44.761 -8.726 1 43.32 ? NE2 GLN 145 A 1 +ATOM 2360 N N THR 146 . . E 3 25.45 49.793 -11.37 1 14.14 ? N THR 146 A 1 +ATOM 2361 C CA THR 146 . . E 3 24.469 50.865 -11.143 1 9.07 ? CA THR 146 A 1 +ATOM 2362 C C THR 146 . . E 3 23.115 50.371 -11.656 1 8.49 ? C THR 146 A 1 +ATOM 2363 O O THR 146 . . E 3 22.087 50.515 -10.993 1 7.65 ? O THR 146 A 1 +ATOM 2364 C CB THR 146 . . E 3 24.77 52.174 -11.927 1 8.96 ? CB THR 146 A 1 +ATOM 2365 O OG1 THR 146 . . E 3 26.026 52.756 -11.558 1 6 ? OG1 THR 146 A 1 +ATOM 2366 C CG2 THR 146 . . E 3 23.716 53.151 -11.619 1 16.6 ? CG2 THR 146 A 1 +ATOM 2367 N N LEU 147 . . E 3 23.125 49.787 -12.849 1 13.2 ? N LEU 147 A 1 +ATOM 2368 C CA LEU 147 . . E 3 21.901 49.257 -13.455 1 17.02 ? CA LEU 147 A 1 +ATOM 2369 C C LEU 147 . . E 3 21.29 48.048 -12.687 1 15.91 ? C LEU 147 A 1 +ATOM 2370 O O LEU 147 . . E 3 20.046 47.9 -12.646 1 10.13 ? O LEU 147 A 1 +ATOM 2371 C CB LEU 147 . . E 3 22.231 48.902 -14.895 1 13.49 ? CB LEU 147 A 1 +ATOM 2372 C CG LEU 147 . . E 3 21.718 49.766 -16.043 1 12.52 ? CG LEU 147 A 1 +ATOM 2373 C CD1 LEU 147 . . E 3 21.682 51.205 -15.746 1 13.58 ? CD1 LEU 147 A 1 +ATOM 2374 C CD2 LEU 147 . . E 3 22.642 49.481 -17.183 1 16.72 ? CD2 LEU 147 A 1 +ATOM 2375 N N LEU 148 . . E 3 22.136 47.188 -12.108 1 13.52 ? N LEU 148 A 1 +ATOM 2376 C CA LEU 148 . . E 3 21.672 46.093 -11.237 1 12.77 ? CA LEU 148 A 1 +ATOM 2377 C C LEU 148 . . E 3 20.957 46.716 -10.029 1 9.33 ? C LEU 148 A 1 +ATOM 2378 O O LEU 148 . . E 3 19.821 46.363 -9.705 1 20.82 ? O LEU 148 A 1 +ATOM 2379 C CB LEU 148 . . E 3 22.859 45.255 -10.757 1 11.31 ? CB LEU 148 A 1 +ATOM 2380 C CG LEU 148 . . E 3 23.119 43.965 -11.554 1 16.51 ? CG LEU 148 A 1 +ATOM 2381 C CD1 LEU 148 . . E 3 22.838 44.243 -13.038 1 18.44 ? CD1 LEU 148 A 1 +ATOM 2382 C CD2 LEU 148 . . E 3 24.571 43.473 -11.311 1 6 ? CD2 LEU 148 A 1 +ATOM 2383 N N ASN 149 . . E 3 21.613 47.675 -9.387 1 12.17 ? N ASN 149 A 1 +ATOM 2384 C CA ASN 149 . . E 3 21.03 48.421 -8.256 1 15.27 ? CA ASN 149 A 1 +ATOM 2385 C C ASN 149 . . E 3 19.686 49.181 -8.61 1 15.38 ? C ASN 149 A 1 +ATOM 2386 O O ASN 149 . . E 3 18.649 48.909 -7.995 1 24.01 ? O ASN 149 A 1 +ATOM 2387 C CB ASN 149 . . E 3 22.006 49.486 -7.725 1 20.01 ? CB ASN 149 A 1 +ATOM 2388 C CG ASN 149 . . E 3 23.327 48.925 -7.208 1 31.03 ? CG ASN 149 A 1 +ATOM 2389 O OD1 ASN 149 . . E 3 23.435 47.759 -6.833 1 28.47 ? OD1 ASN 149 A 1 +ATOM 2390 N ND2 ASN 149 . . E 3 24.351 49.781 -7.18 1 21.92 ? ND2 ASN 149 A 1 +ATOM 2391 N N LEU 150 . . E 3 19.669 50.091 -9.597 1 14.5 ? N LEU 150 A 1 +ATOM 2392 C CA LEU 150 . . E 3 18.467 50.916 -9.836 1 16.03 ? CA LEU 150 A 1 +ATOM 2393 C C LEU 150 . . E 3 17.331 50.046 -10.313 1 17.72 ? C LEU 150 A 1 +ATOM 2394 O O LEU 150 . . E 3 16.128 50.367 -10.134 1 14.96 ? O LEU 150 A 1 +ATOM 2395 C CB LEU 150 . . E 3 18.674 52.014 -10.919 1 13.33 ? CB LEU 150 A 1 +ATOM 2396 C CG LEU 150 . . E 3 19.932 52.906 -10.985 1 21.26 ? CG LEU 150 A 1 +ATOM 2397 C CD1 LEU 150 . . E 3 19.7 53.854 -12.196 1 9.1 ? CD1 LEU 150 A 1 +ATOM 2398 C CD2 LEU 150 . . E 3 20.161 53.729 -9.728 1 22.84 ? CD2 LEU 150 A 1 +ATOM 2399 N N ALA 151 . . E 3 17.713 48.954 -10.969 1 23.61 ? N ALA 151 A 1 +ATOM 2400 C CA ALA 151 . . E 3 16.698 48.047 -11.455 1 28.38 ? CA ALA 151 A 1 +ATOM 2401 C C ALA 151 . . E 3 15.988 47.598 -10.199 1 26.24 ? C ALA 151 A 1 +ATOM 2402 O O ALA 151 . . E 3 14.784 47.459 -10.219 1 31.44 ? O ALA 151 A 1 +ATOM 2403 C CB ALA 151 . . E 3 17.352 46.835 -12.232 1 14.51 ? CB ALA 151 A 1 +ATOM 2404 N N LYS 152 . . E 3 16.765 47.445 -9.116 1 30.18 ? N LYS 152 A 1 +ATOM 2405 C CA LYS 152 . . E 3 16.331 47.036 -7.767 1 30.07 ? CA LYS 152 A 1 +ATOM 2406 C C LYS 152 . . E 3 15.688 48.124 -6.893 1 30.25 ? C LYS 152 A 1 +ATOM 2407 O O LYS 152 . . E 3 15.044 47.825 -5.885 1 27.85 ? O LYS 152 A 1 +ATOM 2408 C CB LYS 152 . . E 3 17.525 46.454 -6.989 1 24.86 ? CB LYS 152 A 1 +ATOM 2409 C CG LYS 152 . . E 3 17.171 46.071 -5.542 1 44.06 ? CG LYS 152 A 1 +ATOM 2410 C CD LYS 152 . . E 3 17.858 44.767 -5.062 1 51.19 ? CD LYS 152 A 1 +ATOM 2411 C CE LYS 152 . . E 3 17.17 44.156 -3.808 1 43.95 ? CE LYS 152 A 1 +ATOM 2412 N NZ LYS 152 . . E 3 17.643 42.742 -3.588 1 33.99 ? NZ LYS 152 A 1 +ATOM 2413 N N GLN 153 . . E 3 15.851 49.388 -7.228 1 31.71 ? N GLN 153 A 1 +ATOM 2414 C CA GLN 153 . . E 3 15.254 50.417 -6.382 1 32.74 ? CA GLN 153 A 1 +ATOM 2415 C C GLN 153 . . E 3 13.736 50.301 -6.292 1 33.6 ? C GLN 153 A 1 +ATOM 2416 O O GLN 153 . . E 3 13.156 49.477 -6.977 1 30.37 ? O GLN 153 A 1 +ATOM 2417 C CB GLN 153 . . E 3 15.621 51.804 -6.912 1 35.66 ? CB GLN 153 A 1 +ATOM 2418 C CG GLN 153 . . E 3 16.853 52.369 -6.243 1 31.76 ? CG GLN 153 A 1 +ATOM 2419 C CD GLN 153 . . E 3 16.565 53.664 -5.498 1 24.89 ? CD GLN 153 A 1 +ATOM 2420 O OE1 GLN 153 . . E 3 15.467 54.219 -5.549 1 26.83 ? OE1 GLN 153 A 1 +ATOM 2421 N NE2 GLN 153 . . E 3 17.564 54.154 -4.81 1 28.09 ? NE2 GLN 153 A 1 +ATOM 2422 N N PRO 154 . . E 3 13.095 51.092 -5.396 1 33.92 ? N PRO 154 A 1 +ATOM 2423 C CA PRO 154 . . E 3 11.671 51.387 -5.229 1 29.65 ? CA PRO 154 A 1 +ATOM 2424 C C PRO 154 . . E 3 11.008 52.117 -6.387 1 29.84 ? C PRO 154 A 1 +ATOM 2425 O O PRO 154 . . E 3 9.803 52.012 -6.542 1 33.82 ? O PRO 154 A 1 +ATOM 2426 C CB PRO 154 . . E 3 11.627 52.17 -3.918 1 29.58 ? CB PRO 154 A 1 +ATOM 2427 C CG PRO 154 . . E 3 12.696 51.506 -3.145 1 30.55 ? CG PRO 154 A 1 +ATOM 2428 C CD PRO 154 . . E 3 13.79 51.602 -4.181 1 32.15 ? CD PRO 154 A 1 +ATOM 2429 N N ASP 155 . . E 3 11.743 52.894 -7.172 1 36.54 ? N ASP 155 A 1 +ATOM 2430 C CA ASP 155 . . E 3 11.108 53.607 -8.278 1 39.41 ? CA ASP 155 A 1 +ATOM 2431 C C ASP 155 . . E 3 11.312 52.905 -9.594 1 44.65 ? C ASP 155 A 1 +ATOM 2432 O O ASP 155 . . E 3 11.794 53.532 -10.532 1 55 ? O ASP 155 A 1 +ATOM 2433 C CB ASP 155 . . E 3 11.651 55.057 -8.394 1 35.23 ? CB ASP 155 A 1 +ATOM 2434 C CG ASP 155 . . E 3 13.199 55.157 -8.44 1 45.04 ? CG ASP 155 A 1 +ATOM 2435 O OD1 ASP 155 . . E 3 13.799 55.325 -9.534 1 49.19 ? OD1 ASP 155 A 1 +ATOM 2436 O OD2 ASP 155 . . E 3 13.836 55.108 -7.363 1 54.84 ? OD2 ASP 155 A 1 +ATOM 2437 N N ALA 156 . . E 3 10.932 51.633 -9.698 1 41.2 ? N ALA 156 A 1 +ATOM 2438 C CA ALA 156 . . E 3 11.144 50.906 -10.952 1 33.19 ? CA ALA 156 A 1 +ATOM 2439 C C ALA 156 . . E 3 9.897 50.144 -11.417 1 36.82 ? C ALA 156 A 1 +ATOM 2440 O O ALA 156 . . E 3 9.431 49.203 -10.75 1 32.92 ? O ALA 156 A 1 +ATOM 2441 C CB ALA 156 . . E 3 12.297 49.952 -10.765 1 33.34 ? CB ALA 156 A 1 +ATOM 2442 N N MET 157 . . E 3 9.358 50.572 -12.569 1 41.66 ? N MET 157 A 1 +ATOM 2443 C CA MET 157 . . E 3 8.133 50.009 -13.17 1 40.32 ? CA MET 157 A 1 +ATOM 2444 C C MET 157 . . E 3 8.401 48.578 -13.624 1 39.27 ? C MET 157 A 1 +ATOM 2445 O O MET 157 . . E 3 9.527 48.197 -13.989 1 32.56 ? O MET 157 A 1 +ATOM 2446 C CB MET 157 . . E 3 7.686 50.841 -14.392 1 42.76 ? CB MET 157 A 1 +ATOM 2447 C CG MET 157 . . E 3 7.654 52.369 -14.203 1 49.14 ? CG MET 157 A 1 +ATOM 2448 S SD MET 157 . . E 3 9.253 53.227 -13.703 1 55 ? SD MET 157 A 1 +ATOM 2449 C CE MET 157 . . E 3 10.081 53.57 -15.281 1 48.56 ? CE MET 157 A 1 +ATOM 2450 N N THR 158 . . E 3 7.368 47.763 -13.602 1 39.62 ? N THR 158 A 1 +ATOM 2451 C CA THR 158 . . E 3 7.58 46.393 -14.006 1 39.36 ? CA THR 158 A 1 +ATOM 2452 C C THR 158 . . E 3 7.528 46.378 -15.523 1 40.49 ? C THR 158 A 1 +ATOM 2453 O O THR 158 . . E 3 6.862 47.235 -16.122 1 36.16 ? O THR 158 A 1 +ATOM 2454 C CB THR 158 . . E 3 6.476 45.49 -13.373 1 44.49 ? CB THR 158 A 1 +ATOM 2455 O OG1 THR 158 . . E 3 6.953 44.144 -13.317 1 51.36 ? OG1 THR 158 A 1 +ATOM 2456 C CG2 THR 158 . . E 3 5.173 45.534 -14.194 1 41.81 ? CG2 THR 158 A 1 +ATOM 2457 N N HIS 159 . . E 3 8.253 45.437 -16.127 1 42.96 ? N HIS 159 A 1 +ATOM 2458 C CA HIS 159 . . E 3 8.304 45.249 -17.589 1 48.59 ? CA HIS 159 A 1 +ATOM 2459 C C HIS 159 . . E 3 8.278 43.738 -17.818 1 49.13 ? C HIS 159 A 1 +ATOM 2460 O O HIS 159 . . E 3 8.929 43.018 -17.059 1 50.14 ? O HIS 159 A 1 +ATOM 2461 C CB HIS 159 . . E 3 9.61 45.841 -18.175 1 46.54 ? CB HIS 159 A 1 +ATOM 2462 C CG HIS 159 . . E 3 9.583 46.039 -19.665 1 46.42 ? CG HIS 159 A 1 +ATOM 2463 N ND1 HIS 159 . . E 3 9.799 45.015 -20.563 1 46.94 ? ND1 HIS 159 A 1 +ATOM 2464 C CD2 HIS 159 . . E 3 9.355 47.15 -20.409 1 48.3 ? CD2 HIS 159 A 1 +ATOM 2465 C CE1 HIS 159 . . E 3 9.704 45.486 -21.797 1 46.22 ? CE1 HIS 159 A 1 +ATOM 2466 N NE2 HIS 159 . . E 3 9.436 46.778 -21.731 1 43.6 ? NE2 HIS 159 A 1 +ATOM 2467 N N PRO 160 . . E 3 7.556 43.235 -18.86 1 53.19 ? N PRO 160 A 1 +ATOM 2468 C CA PRO 160 . . E 3 7.371 41.79 -19.096 1 50.53 ? CA PRO 160 A 1 +ATOM 2469 C C PRO 160 . . E 3 8.668 41.047 -18.814 1 51.69 ? C PRO 160 A 1 +ATOM 2470 O O PRO 160 . . E 3 8.765 40.152 -17.962 1 51.73 ? O PRO 160 A 1 +ATOM 2471 C CB PRO 160 . . E 3 6.896 41.746 -20.546 1 44.13 ? CB PRO 160 A 1 +ATOM 2472 C CG PRO 160 . . E 3 7.443 43.047 -21.118 1 48.96 ? CG PRO 160 A 1 +ATOM 2473 C CD PRO 160 . . E 3 6.998 43.964 -20.022 1 53.47 ? CD PRO 160 A 1 +ATOM 2474 N N ASP 161 . . E 3 9.671 41.47 -19.554 1 48.49 ? N ASP 161 A 1 +ATOM 2475 C CA ASP 161 . . E 3 11.005 40.991 -19.361 1 45.43 ? CA ASP 161 A 1 +ATOM 2476 C C ASP 161 . . E 3 11.787 42.201 -18.837 1 42.13 ? C ASP 161 A 1 +ATOM 2477 O O ASP 161 . . E 3 11.593 43.309 -19.356 1 48.74 ? O ASP 161 A 1 +ATOM 2478 C CB ASP 161 . . E 3 11.536 40.472 -20.705 1 48.5 ? CB ASP 161 A 1 +ATOM 2479 C CG ASP 161 . . E 3 11.129 41.336 -21.885 1 48.94 ? CG ASP 161 A 1 +ATOM 2480 O OD1 ASP 161 . . E 3 12.014 41.98 -22.472 1 42.36 ? OD1 ASP 161 A 1 +ATOM 2481 O OD2 ASP 161 . . E 3 9.929 41.36 -22.224 1 41.52 ? OD2 ASP 161 A 1 +ATOM 2482 N N GLY 162 . . E 3 12.581 41.987 -17.778 1 32.44 ? N GLY 162 A 1 +ATOM 2483 C CA GLY 162 . . E 3 13.418 43 -17.144 1 21.4 ? CA GLY 162 A 1 +ATOM 2484 C C GLY 162 . . E 3 12.679 44.103 -16.395 1 25.06 ? C GLY 162 A 1 +ATOM 2485 O O GLY 162 . . E 3 11.441 44.187 -16.35 1 15.57 ? O GLY 162 A 1 +ATOM 2486 N N MET 163 . . E 3 13.472 44.972 -15.776 1 31.59 ? N MET 163 A 1 +ATOM 2487 C CA MET 163 . . E 3 12.937 46.121 -15.049 1 34.03 ? CA MET 163 A 1 +ATOM 2488 C C MET 163 . . E 3 13.191 47.389 -15.817 1 35.97 ? C MET 163 A 1 +ATOM 2489 O O MET 163 . . E 3 14.298 47.638 -16.326 1 40.8 ? O MET 163 A 1 +ATOM 2490 C CB MET 163 . . E 3 13.581 46.312 -13.682 1 36.34 ? CB MET 163 A 1 +ATOM 2491 C CG MET 163 . . E 3 12.606 46.17 -12.539 1 42.75 ? CG MET 163 A 1 +ATOM 2492 S SD MET 163 . . E 3 11.898 44.511 -12.485 1 44.85 ? SD MET 163 A 1 +ATOM 2493 C CE MET 163 . . E 3 10.341 44.723 -13.38 1 44.59 ? CE MET 163 A 1 +ATOM 2494 N N GLN 164 . . E 3 12.135 48.191 -15.877 1 32.34 ? N GLN 164 A 1 +ATOM 2495 C CA GLN 164 . . E 3 12.163 49.466 -16.548 1 30 ? CA GLN 164 A 1 +ATOM 2496 C C GLN 164 . . E 3 12.568 50.514 -15.541 1 30.25 ? C GLN 164 A 1 +ATOM 2497 O O GLN 164 . . E 3 11.862 50.836 -14.598 1 27.76 ? O GLN 164 A 1 +ATOM 2498 C CB GLN 164 . . E 3 10.777 49.784 -17.144 1 26.97 ? CB GLN 164 A 1 +ATOM 2499 C CG GLN 164 . . E 3 10.654 51.089 -17.914 1 24.46 ? CG GLN 164 A 1 +ATOM 2500 C CD GLN 164 . . E 3 9.316 51.223 -18.661 1 26.88 ? CD GLN 164 A 1 +ATOM 2501 O OE1 GLN 164 . . E 3 9.285 51.679 -19.789 1 36.11 ? OE1 GLN 164 A 1 +ATOM 2502 N NE2 GLN 164 . . E 3 8.218 50.827 -18.035 1 26.58 ? NE2 GLN 164 A 1 +ATOM 2503 N N ILE 165 . . E 3 13.817 50.891 -15.707 1 33.93 ? N ILE 165 A 1 +ATOM 2504 C CA ILE 165 . . E 3 14.46 51.984 -15.027 1 30.01 ? CA ILE 165 A 1 +ATOM 2505 C C ILE 165 . . E 3 14.209 53.253 -15.814 1 26.17 ? C ILE 165 A 1 +ATOM 2506 O O ILE 165 . . E 3 14.069 53.159 -17.027 1 30.02 ? O ILE 165 A 1 +ATOM 2507 C CB ILE 165 . . E 3 16.008 51.637 -14.897 1 16.21 ? CB ILE 165 A 1 +ATOM 2508 C CG1 ILE 165 . . E 3 16.215 50.655 -13.739 1 17.72 ? CG1 ILE 165 A 1 +ATOM 2509 C CG2 ILE 165 . . E 3 16.807 52.84 -14.69 1 25.39 ? CG2 ILE 165 A 1 +ATOM 2510 C CD1 ILE 165 . . E 3 14.924 50.331 -12.907 1 23.56 ? CD1 ILE 165 A 1 +ATOM 2511 N N LYS 166 . . E 3 14.064 54.407 -15.2 1 25.27 ? N LYS 166 A 1 +ATOM 2512 C CA LYS 166 . . E 3 13.856 55.574 -16.03 1 25.89 ? CA LYS 166 A 1 +ATOM 2513 C C LYS 166 . . E 3 14.99 56.446 -15.713 1 25.73 ? C LYS 166 A 1 +ATOM 2514 O O LYS 166 . . E 3 15.13 56.806 -14.551 1 26.84 ? O LYS 166 A 1 +ATOM 2515 C CB LYS 166 . . E 3 12.573 56.348 -15.697 1 34.33 ? CB LYS 166 A 1 +ATOM 2516 C CG LYS 166 . . E 3 12.441 57.678 -16.513 1 43.24 ? CG LYS 166 A 1 +ATOM 2517 C CD LYS 166 . . E 3 11.118 58.451 -16.277 1 52.65 ? CD LYS 166 A 1 +ATOM 2518 C CE LYS 166 . . E 3 10.915 59.594 -17.296 1 55 ? CE LYS 166 A 1 +ATOM 2519 N NZ LYS 166 . . E 3 9.512 60.135 -17.322 1 51.57 ? NZ LYS 166 A 1 +ATOM 2520 N N ILE 167 . . E 3 15.814 56.785 -16.694 1 20.18 ? N ILE 167 A 1 +ATOM 2521 C CA ILE 167 . . E 3 16.939 57.579 -16.312 1 18.34 ? CA ILE 167 A 1 +ATOM 2522 C C ILE 167 . . E 3 17.691 58.175 -17.487 1 20.7 ? C ILE 167 A 1 +ATOM 2523 O O ILE 167 . . E 3 17.674 57.689 -18.616 1 17.89 ? O ILE 167 A 1 +ATOM 2524 C CB ILE 167 . . E 3 17.896 56.712 -15.454 1 14.35 ? CB ILE 167 A 1 +ATOM 2525 C CG1 ILE 167 . . E 3 18.695 57.618 -14.517 1 16.17 ? CG1 ILE 167 A 1 +ATOM 2526 C CG2 ILE 167 . . E 3 18.846 55.904 -16.37 1 22.46 ? CG2 ILE 167 A 1 +ATOM 2527 C CD1 ILE 167 . . E 3 19.575 56.889 -13.562 1 13.78 ? CD1 ILE 167 A 1 +ATOM 2528 N N THR 168 . . E 3 18.331 59.265 -17.107 1 18.13 ? N THR 168 A 1 +ATOM 2529 C CA THR 168 . . E 3 19.185 60.155 -17.833 1 13.26 ? CA THR 168 A 1 +ATOM 2530 C C THR 168 . . E 3 20.614 59.707 -17.835 1 14.87 ? C THR 168 A 1 +ATOM 2531 O O THR 168 . . E 3 21.246 59.703 -16.796 1 23.81 ? O THR 168 A 1 +ATOM 2532 C CB THR 168 . . E 3 19.086 61.54 -17.203 1 23.16 ? CB THR 168 A 1 +ATOM 2533 O OG1 THR 168 . . E 3 17.949 62.214 -17.762 1 38.01 ? OG1 THR 168 A 1 +ATOM 2534 C CG2 THR 168 . . E 3 20.348 62.314 -17.392 1 20.68 ? CG2 THR 168 A 1 +ATOM 2535 N N ARG 169 . . E 3 21.141 59.389 -19.008 1 21.98 ? N ARG 169 A 1 +ATOM 2536 C CA ARG 169 . . E 3 22.54 59.005 -19.14 1 18.04 ? CA ARG 169 A 1 +ATOM 2537 C C ARG 169 . . E 3 23.434 60.011 -18.443 1 16.36 ? C ARG 169 A 1 +ATOM 2538 O O ARG 169 . . E 3 24.587 59.706 -18.117 1 14.61 ? O ARG 169 A 1 +ATOM 2539 C CB ARG 169 . . E 3 23.004 58.962 -20.595 1 8.74 ? CB ARG 169 A 1 +ATOM 2540 C CG ARG 169 . . E 3 22.433 57.919 -21.479 1 6 ? CG ARG 169 A 1 +ATOM 2541 C CD ARG 169 . . E 3 22.715 58.307 -22.951 1 6 ? CD ARG 169 A 1 +ATOM 2542 N NE ARG 169 . . E 3 21.892 57.468 -23.816 1 7.77 ? NE ARG 169 A 1 +ATOM 2543 C CZ ARG 169 . . E 3 20.588 57.338 -23.642 1 6 ? CZ ARG 169 A 1 +ATOM 2544 N NH1 ARG 169 . . E 3 20.031 58.007 -22.661 1 6 ? NH1 ARG 169 A 1 +ATOM 2545 N NH2 ARG 169 . . E 3 19.859 56.504 -24.385 1 6 ? NH2 ARG 169 A 1 +ATOM 2546 N N GLN 170 . . E 3 22.95 61.232 -18.271 1 18.66 ? N GLN 170 A 1 +ATOM 2547 C CA GLN 170 . . E 3 23.787 62.216 -17.617 1 19.32 ? CA GLN 170 A 1 +ATOM 2548 C C GLN 170 . . E 3 23.887 61.825 -16.17 1 16.04 ? C GLN 170 A 1 +ATOM 2549 O O GLN 170 . . E 3 24.968 61.869 -15.605 1 7.96 ? O GLN 170 A 1 +ATOM 2550 C CB GLN 170 . . E 3 23.174 63.605 -17.785 1 17.52 ? CB GLN 170 A 1 +ATOM 2551 C CG GLN 170 . . E 3 24.185 64.624 -18.259 1 26.55 ? CG GLN 170 A 1 +ATOM 2552 C CD GLN 170 . . E 3 23.535 65.75 -19.049 1 26.12 ? CD GLN 170 A 1 +ATOM 2553 O OE1 GLN 170 . . E 3 24.015 66.129 -20.12 1 36.57 ? OE1 GLN 170 A 1 +ATOM 2554 N NE2 GLN 170 . . E 3 22.432 66.28 -18.539 1 26.93 ? NE2 GLN 170 A 1 +ATOM 2555 N N GLU 171 . . E 3 22.761 61.372 -15.622 1 7.44 ? N GLU 171 A 1 +ATOM 2556 C CA GLU 171 . . E 3 22.693 60.893 -14.221 1 18.12 ? CA GLU 171 A 1 +ATOM 2557 C C GLU 171 . . E 3 23.642 59.718 -13.941 1 12.67 ? C GLU 171 A 1 +ATOM 2558 O O GLU 171 . . E 3 24.474 59.795 -13.012 1 13.4 ? O GLU 171 A 1 +ATOM 2559 C CB GLU 171 . . E 3 21.271 60.455 -13.865 1 20.27 ? CB GLU 171 A 1 +ATOM 2560 C CG GLU 171 . . E 3 20.401 61.583 -13.325 1 23.57 ? CG GLU 171 A 1 +ATOM 2561 C CD GLU 171 . . E 3 19.83 61.251 -11.946 1 26.74 ? CD GLU 171 A 1 +ATOM 2562 O OE1 GLU 171 . . E 3 20.507 61.484 -10.91 1 13.87 ? OE1 GLU 171 A 1 +ATOM 2563 O OE2 GLU 171 . . E 3 18.688 60.746 -11.92 1 18.2 ? OE2 GLU 171 A 1 +ATOM 2564 N N ILE 172 . . E 3 23.545 58.663 -14.761 1 12.53 ? N ILE 172 A 1 +ATOM 2565 C CA ILE 172 . . E 3 24.439 57.511 -14.631 1 8.09 ? CA ILE 172 A 1 +ATOM 2566 C C ILE 172 . . E 3 25.876 58.025 -14.643 1 6.83 ? C ILE 172 A 1 +ATOM 2567 O O ILE 172 . . E 3 26.688 57.567 -13.846 1 12.67 ? O ILE 172 A 1 +ATOM 2568 C CB ILE 172 . . E 3 24.195 56.509 -15.807 1 10.79 ? CB ILE 172 A 1 +ATOM 2569 C CG1 ILE 172 . . E 3 22.734 56.026 -15.754 1 7.15 ? CG1 ILE 172 A 1 +ATOM 2570 C CG2 ILE 172 . . E 3 25.138 55.344 -15.714 1 9.56 ? CG2 ILE 172 A 1 +ATOM 2571 C CD1 ILE 172 . . E 3 22.29 55.16 -16.904 1 13.88 ? CD1 ILE 172 A 1 +ATOM 2572 N N GLY 173 . . E 3 26.196 58.987 -15.51 1 6 ? N GLY 173 A 1 +ATOM 2573 C CA GLY 173 . . E 3 27.541 59.524 -15.515 1 10.97 ? CA GLY 173 A 1 +ATOM 2574 C C GLY 173 . . E 3 27.888 60.109 -14.136 1 19.7 ? C GLY 173 A 1 +ATOM 2575 O O GLY 173 . . E 3 29.047 60.044 -13.711 1 32.24 ? O GLY 173 A 1 +ATOM 2576 N N GLN 174 . . E 3 26.907 60.666 -13.418 1 22.34 ? N GLN 174 A 1 +ATOM 2577 C CA GLN 174 . . E 3 27.147 61.287 -12.097 1 21.92 ? CA GLN 174 A 1 +ATOM 2578 C C GLN 174 . . E 3 27.317 60.271 -10.966 1 15.93 ? C GLN 174 A 1 +ATOM 2579 O O GLN 174 . . E 3 28.267 60.352 -10.178 1 14.99 ? O GLN 174 A 1 +ATOM 2580 C CB GLN 174 . . E 3 25.989 62.236 -11.786 1 24.14 ? CB GLN 174 A 1 +ATOM 2581 C CG GLN 174 . . E 3 26.065 63.553 -12.562 1 13.84 ? CG GLN 174 A 1 +ATOM 2582 C CD GLN 174 . . E 3 24.789 64.325 -12.5 1 15.12 ? CD GLN 174 A 1 +ATOM 2583 O OE1 GLN 174 . . E 3 24.589 65.205 -13.309 1 15.5 ? OE1 GLN 174 A 1 +ATOM 2584 N NE2 GLN 174 . . E 3 23.899 63.993 -11.546 1 15 ? NE2 GLN 174 A 1 +ATOM 2585 N N ILE 175 . . E 3 26.35 59.371 -10.883 1 6 ? N ILE 175 A 1 +ATOM 2586 C CA ILE 175 . . E 3 26.363 58.226 -10.007 1 7.48 ? CA ILE 175 A 1 +ATOM 2587 C C ILE 175 . . E 3 27.693 57.493 -10.048 1 9.42 ? C ILE 175 A 1 +ATOM 2588 O O ILE 175 . . E 3 28.284 57.182 -9.018 1 12.89 ? O ILE 175 A 1 +ATOM 2589 C CB ILE 175 . . E 3 25.309 57.227 -10.428 1 6 ? CB ILE 175 A 1 +ATOM 2590 C CG1 ILE 175 . . E 3 23.966 57.855 -10.167 1 6 ? CG1 ILE 175 A 1 +ATOM 2591 C CG2 ILE 175 . . E 3 25.572 55.894 -9.797 1 6 ? CG2 ILE 175 A 1 +ATOM 2592 C CD1 ILE 175 . . E 3 22.901 56.851 -10.203 1 6 ? CD1 ILE 175 A 1 +ATOM 2593 N N VAL 176 . . E 3 28.158 57.244 -11.274 1 12.72 ? N VAL 176 A 1 +ATOM 2594 C CA VAL 176 . . E 3 29.333 56.405 -11.608 1 6 ? CA VAL 176 A 1 +ATOM 2595 C C VAL 176 . . E 3 30.667 57.046 -11.707 1 7.4 ? C VAL 176 A 1 +ATOM 2596 O O VAL 176 . . E 3 31.679 56.356 -11.648 1 6.81 ? O VAL 176 A 1 +ATOM 2597 C CB VAL 176 . . E 3 29.042 55.674 -12.925 1 10.22 ? CB VAL 176 A 1 +ATOM 2598 C CG1 VAL 176 . . E 3 30.227 55.831 -13.922 1 6.14 ? CG1 VAL 176 A 1 +ATOM 2599 C CG2 VAL 176 . . E 3 28.682 54.23 -12.573 1 6 ? CG2 VAL 176 A 1 +ATOM 2600 N N GLY 177 . . E 3 30.711 58.337 -11.921 1 8.35 ? N GLY 177 A 1 +ATOM 2601 C CA GLY 177 . . E 3 32.028 58.929 -12.011 1 11.15 ? CA GLY 177 A 1 +ATOM 2602 C C GLY 177 . . E 3 32.599 58.9 -13.408 1 6.33 ? C GLY 177 A 1 +ATOM 2603 O O GLY 177 . . E 3 33.79 58.76 -13.603 1 7.01 ? O GLY 177 A 1 +ATOM 2604 N N CYS 178 . . E 3 31.772 59.02 -14.412 1 8.26 ? N CYS 178 A 1 +ATOM 2605 C CA CYS 178 . . E 3 32.358 59.093 -15.751 1 15.38 ? CA CYS 178 A 1 +ATOM 2606 C C CYS 178 . . E 3 31.576 60.203 -16.464 1 12.9 ? C CYS 178 A 1 +ATOM 2607 O O CYS 178 . . E 3 30.608 60.673 -15.9 1 6 ? O CYS 178 A 1 +ATOM 2608 C CB CYS 178 . . E 3 32.236 57.715 -16.523 1 6 ? CB CYS 178 A 1 +ATOM 2609 S SG CYS 178 . . E 3 30.65 56.957 -16.996 1 19.1 ? SG CYS 178 A 1 +ATOM 2610 N N SER 179 . . E 3 32.003 60.628 -17.648 1 8 ? N SER 179 A 1 +ATOM 2611 C CA SER 179 . . E 3 31.352 61.671 -18.396 1 6 ? CA SER 179 A 1 +ATOM 2612 C C SER 179 . . E 3 30.185 61.112 -19.151 1 6.6 ? C SER 179 A 1 +ATOM 2613 O O SER 179 . . E 3 30.175 59.918 -19.426 1 17.73 ? O SER 179 A 1 +ATOM 2614 C CB SER 179 . . E 3 32.303 62.264 -19.39 1 18.18 ? CB SER 179 A 1 +ATOM 2615 O OG SER 179 . . E 3 32.516 61.277 -20.386 1 23.24 ? OG SER 179 A 1 +ATOM 2616 N N ARG 180 . . E 3 29.269 61.998 -19.557 1 13.27 ? N ARG 180 A 1 +ATOM 2617 C CA ARG 180 . . E 3 28.047 61.669 -20.303 1 15.09 ? CA ARG 180 A 1 +ATOM 2618 C C ARG 180 . . E 3 28.262 60.753 -21.518 1 19.25 ? C ARG 180 A 1 +ATOM 2619 O O ARG 180 . . E 3 27.488 59.826 -21.723 1 16.65 ? O ARG 180 A 1 +ATOM 2620 C CB ARG 180 . . E 3 27.356 62.934 -20.844 1 19.5 ? CB ARG 180 A 1 +ATOM 2621 C CG ARG 180 . . E 3 25.945 62.634 -21.47 1 32.19 ? CG ARG 180 A 1 +ATOM 2622 C CD ARG 180 . . E 3 25.124 63.771 -22.233 1 14.42 ? CD ARG 180 A 1 +ATOM 2623 N NE ARG 180 . . E 3 25.696 64.147 -23.519 1 15.89 ? NE ARG 180 A 1 +ATOM 2624 C CZ ARG 180 . . E 3 26.712 64.998 -23.669 1 21.82 ? CZ ARG 180 A 1 +ATOM 2625 N NH1 ARG 180 . . E 3 27.274 65.576 -22.605 1 21.19 ? NH1 ARG 180 A 1 +ATOM 2626 N NH2 ARG 180 . . E 3 27.198 65.242 -24.891 1 11.64 ? NH2 ARG 180 A 1 +ATOM 2627 N N GLU 181 . . E 3 29.302 61.006 -22.316 1 12.92 ? N GLU 181 A 1 +ATOM 2628 C CA GLU 181 . . E 3 29.468 60.245 -23.554 1 19.53 ? CA GLU 181 A 1 +ATOM 2629 C C GLU 181 . . E 3 29.836 58.822 -23.324 1 20.2 ? C GLU 181 A 1 +ATOM 2630 O O GLU 181 . . E 3 29.337 57.94 -24.058 1 15.29 ? O GLU 181 A 1 +ATOM 2631 C CB GLU 181 . . E 3 30.547 60.829 -24.466 1 7.71 ? CB GLU 181 A 1 +ATOM 2632 C CG GLU 181 . . E 3 30.299 62.225 -24.954 1 19.11 ? CG GLU 181 A 1 +ATOM 2633 C CD GLU 181 . . E 3 30.716 63.312 -23.973 1 19.51 ? CD GLU 181 A 1 +ATOM 2634 O OE1 GLU 181 . . E 3 31.178 63.065 -22.842 1 18.05 ? OE1 GLU 181 A 1 +ATOM 2635 O OE2 GLU 181 . . E 3 30.564 64.468 -24.373 1 15.9 ? OE2 GLU 181 A 1 +ATOM 2636 N N THR 182 . . E 3 30.745 58.608 -22.368 1 16.75 ? N THR 182 A 1 +ATOM 2637 C CA THR 182 . . E 3 31.155 57.277 -22.011 1 11.14 ? CA THR 182 A 1 +ATOM 2638 C C THR 182 . . E 3 29.892 56.47 -21.708 1 6.71 ? C THR 182 A 1 +ATOM 2639 O O THR 182 . . E 3 29.692 55.371 -22.213 1 17.8 ? O THR 182 A 1 +ATOM 2640 C CB THR 182 . . E 3 32.061 57.319 -20.783 1 20.51 ? CB THR 182 A 1 +ATOM 2641 O OG1 THR 182 . . E 3 33.305 57.9 -21.163 1 16.04 ? OG1 THR 182 A 1 +ATOM 2642 C CG2 THR 182 . . E 3 32.362 55.907 -20.251 1 20.78 ? CG2 THR 182 A 1 +ATOM 2643 N N VAL 183 . . E 3 28.99 56.996 -20.908 1 8.47 ? N VAL 183 A 1 +ATOM 2644 C CA VAL 183 . . E 3 27.783 56.212 -20.644 1 8.53 ? CA VAL 183 A 1 +ATOM 2645 C C VAL 183 . . E 3 27.047 55.836 -21.945 1 12.75 ? C VAL 183 A 1 +ATOM 2646 O O VAL 183 . . E 3 26.71 54.681 -22.146 1 24.82 ? O VAL 183 A 1 +ATOM 2647 C CB VAL 183 . . E 3 26.863 57.027 -19.717 1 16.54 ? CB VAL 183 A 1 +ATOM 2648 C CG1 VAL 183 . . E 3 25.521 56.35 -19.529 1 9.01 ? CG1 VAL 183 A 1 +ATOM 2649 C CG2 VAL 183 . . E 3 27.594 57.204 -18.384 1 12.77 ? CG2 VAL 183 A 1 +ATOM 2650 N N GLY 184 . . E 3 26.854 56.8 -22.84 1 10.94 ? N GLY 184 A 1 +ATOM 2651 C CA GLY 184 . . E 3 26.093 56.595 -24.06 1 12.64 ? CA GLY 184 A 1 +ATOM 2652 C C GLY 184 . . E 3 26.602 55.435 -24.863 1 15.65 ? C GLY 184 A 1 +ATOM 2653 O O GLY 184 . . E 3 25.821 54.604 -25.353 1 21.22 ? O GLY 184 A 1 +ATOM 2654 N N ARG 185 . . E 3 27.924 55.399 -24.981 1 18.79 ? N ARG 185 A 1 +ATOM 2655 C CA ARG 185 . . E 3 28.606 54.355 -25.706 1 20.58 ? CA ARG 185 A 1 +ATOM 2656 C C ARG 185 . . E 3 28.425 53.024 -25.095 1 20.32 ? C ARG 185 A 1 +ATOM 2657 O O ARG 185 . . E 3 28.023 52.119 -25.791 1 24.49 ? O ARG 185 A 1 +ATOM 2658 C CB ARG 185 . . E 3 30.093 54.642 -25.786 1 26.61 ? CB ARG 185 A 1 +ATOM 2659 C CG ARG 185 . . E 3 30.39 55.638 -26.883 1 30.04 ? CG ARG 185 A 1 +ATOM 2660 C CD ARG 185 . . E 3 31.542 56.448 -26.507 1 31.45 ? CD ARG 185 A 1 +ATOM 2661 N NE ARG 185 . . E 3 31.848 57.444 -27.51 1 36.34 ? NE ARG 185 A 1 +ATOM 2662 C CZ ARG 185 . . E 3 32.635 58.474 -27.234 1 36.77 ? CZ ARG 185 A 1 +ATOM 2663 N NH1 ARG 185 . . E 3 32.902 59.354 -28.179 1 38.7 ? NH1 ARG 185 A 1 +ATOM 2664 N NH2 ARG 185 . . E 3 33.123 58.633 -25.998 1 33.17 ? NH2 ARG 185 A 1 +ATOM 2665 N N ILE 186 . . E 3 28.725 52.916 -23.8 1 15.33 ? N ILE 186 A 1 +ATOM 2666 C CA ILE 186 . . E 3 28.659 51.645 -23.09 1 10.88 ? CA ILE 186 A 1 +ATOM 2667 C C ILE 186 . . E 3 27.267 51.119 -23.198 1 7.58 ? C ILE 186 A 1 +ATOM 2668 O O ILE 186 . . E 3 27.046 49.959 -23.476 1 11.08 ? O ILE 186 A 1 +ATOM 2669 C CB ILE 186 . . E 3 28.965 51.761 -21.573 1 16.96 ? CB ILE 186 A 1 +ATOM 2670 C CG1 ILE 186 . . E 3 30.354 52.376 -21.298 1 14.97 ? CG1 ILE 186 A 1 +ATOM 2671 C CG2 ILE 186 . . E 3 28.878 50.371 -20.991 1 14.06 ? CG2 ILE 186 A 1 +ATOM 2672 C CD1 ILE 186 . . E 3 31.581 51.511 -21.684 1 25.24 ? CD1 ILE 186 A 1 +ATOM 2673 N N LEU 187 . . E 3 26.318 52.007 -22.979 1 8.42 ? N LEU 187 A 1 +ATOM 2674 C CA LEU 187 . . E 3 24.919 51.654 -23.011 1 11.91 ? CA LEU 187 A 1 +ATOM 2675 C C LEU 187 . . E 3 24.584 51.006 -24.336 1 16.01 ? C LEU 187 A 1 +ATOM 2676 O O LEU 187 . . E 3 23.778 50.071 -24.383 1 19.51 ? O LEU 187 A 1 +ATOM 2677 C CB LEU 187 . . E 3 24.068 52.916 -22.807 1 15.79 ? CB LEU 187 A 1 +ATOM 2678 C CG LEU 187 . . E 3 23.109 53.002 -21.63 1 13.01 ? CG LEU 187 A 1 +ATOM 2679 C CD1 LEU 187 . . E 3 23.912 53.154 -20.395 1 11.11 ? CD1 LEU 187 A 1 +ATOM 2680 C CD2 LEU 187 . . E 3 22.138 54.159 -21.812 1 7.64 ? CD2 LEU 187 A 1 +ATOM 2681 N N LYS 188 . . E 3 25.187 51.543 -25.409 1 30.17 ? N LYS 188 A 1 +ATOM 2682 C CA LYS 188 . . E 3 25.034 51.061 -26.791 1 34.6 ? CA LYS 188 A 1 +ATOM 2683 C C LYS 188 . . E 3 25.583 49.621 -26.887 1 33.97 ? C LYS 188 A 1 +ATOM 2684 O O LYS 188 . . E 3 24.856 48.695 -27.266 1 34.67 ? O LYS 188 A 1 +ATOM 2685 C CB LYS 188 . . E 3 25.81 51.985 -27.73 1 37.75 ? CB LYS 188 A 1 +ATOM 2686 C CG LYS 188 . . E 3 25.101 52.351 -29.02 1 48.7 ? CG LYS 188 A 1 +ATOM 2687 C CD LYS 188 . . E 3 25.928 53.4 -29.79 1 55 ? CD LYS 188 A 1 +ATOM 2688 C CE LYS 188 . . E 3 26.118 54.709 -28.991 1 52.68 ? CE LYS 188 A 1 +ATOM 2689 N NZ LYS 188 . . E 3 26.995 55.698 -29.68 1 47.03 ? NZ LYS 188 A 1 +ATOM 2690 N N MET 189 . . E 3 26.856 49.456 -26.522 1 22.9 ? N MET 189 A 1 +ATOM 2691 C CA MET 189 . . E 3 27.534 48.157 -26.483 1 22.26 ? CA MET 189 A 1 +ATOM 2692 C C MET 189 . . E 3 26.643 47.093 -25.81 1 25.82 ? C MET 189 A 1 +ATOM 2693 O O MET 189 . . E 3 26.38 46.045 -26.406 1 31.82 ? O MET 189 A 1 +ATOM 2694 C CB MET 189 . . E 3 28.843 48.326 -25.72 1 18.51 ? CB MET 189 A 1 +ATOM 2695 C CG MET 189 . . E 3 30.031 47.529 -26.237 1 21.59 ? CG MET 189 A 1 +ATOM 2696 S SD MET 189 . . E 3 31.599 48.175 -25.52 1 32.16 ? SD MET 189 A 1 +ATOM 2697 C CE MET 189 . . E 3 32.785 47.038 -26.205 1 27.39 ? CE MET 189 A 1 +ATOM 2698 N N LEU 190 . . E 3 26.143 47.379 -24.604 1 22.69 ? N LEU 190 A 1 +ATOM 2699 C CA LEU 190 . . E 3 25.262 46.472 -23.852 1 18.5 ? CA LEU 190 A 1 +ATOM 2700 C C LEU 190 . . E 3 24.003 46.11 -24.597 1 19.01 ? C LEU 190 A 1 +ATOM 2701 O O LEU 190 . . E 3 23.48 45.016 -24.464 1 20.28 ? O LEU 190 A 1 +ATOM 2702 C CB LEU 190 . . E 3 24.901 47.119 -22.522 1 12.97 ? CB LEU 190 A 1 +ATOM 2703 C CG LEU 190 . . E 3 26.079 47.008 -21.562 1 14.05 ? CG LEU 190 A 1 +ATOM 2704 C CD1 LEU 190 . . E 3 26.399 48.283 -20.799 1 11.88 ? CD1 LEU 190 A 1 +ATOM 2705 C CD2 LEU 190 . . E 3 25.707 45.862 -20.684 1 19.02 ? CD2 LEU 190 A 1 +ATOM 2706 N N GLU 191 . . E 3 23.485 47.04 -25.369 1 27.73 ? N GLU 191 A 1 +ATOM 2707 C CA GLU 191 . . E 3 22.298 46.729 -26.135 1 30.4 ? CA GLU 191 A 1 +ATOM 2708 C C GLU 191 . . E 3 22.707 45.788 -27.271 1 28.65 ? C GLU 191 A 1 +ATOM 2709 O O GLU 191 . . E 3 22.086 44.765 -27.474 1 33.58 ? O GLU 191 A 1 +ATOM 2710 C CB GLU 191 . . E 3 21.686 48.02 -26.691 1 25.77 ? CB GLU 191 A 1 +ATOM 2711 C CG GLU 191 . . E 3 20.186 47.905 -26.96 1 19.87 ? CG GLU 191 A 1 +ATOM 2712 C CD GLU 191 . . E 3 19.535 49.247 -27.251 1 28.45 ? CD GLU 191 A 1 +ATOM 2713 O OE1 GLU 191 . . E 3 18.29 49.252 -27.321 1 28.93 ? OE1 GLU 191 A 1 +ATOM 2714 O OE2 GLU 191 . . E 3 20.251 50.279 -27.403 1 32.26 ? OE2 GLU 191 A 1 +ATOM 2715 N N ASP 192 . . E 3 23.761 46.117 -27.999 1 15.74 ? N ASP 192 A 1 +ATOM 2716 C CA ASP 192 . . E 3 24.233 45.236 -29.046 1 15.17 ? CA ASP 192 A 1 +ATOM 2717 C C ASP 192 . . E 3 24.372 43.808 -28.52 1 21.74 ? C ASP 192 A 1 +ATOM 2718 O O ASP 192 . . E 3 24.078 42.866 -29.249 1 30.73 ? O ASP 192 A 1 +ATOM 2719 C CB ASP 192 . . E 3 25.594 45.687 -29.566 1 24.25 ? CB ASP 192 A 1 +ATOM 2720 C CG ASP 192 . . E 3 25.538 47.034 -30.254 1 36.14 ? CG ASP 192 A 1 +ATOM 2721 O OD1 ASP 192 . . E 3 24.445 47.423 -30.713 1 36.88 ? OD1 ASP 192 A 1 +ATOM 2722 O OD2 ASP 192 . . E 3 26.593 47.706 -30.346 1 44.01 ? OD2 ASP 192 A 1 +ATOM 2723 N N GLN 193 . . E 3 24.844 43.632 -27.28 1 19.56 ? N GLN 193 A 1 +ATOM 2724 C CA GLN 193 . . E 3 24.984 42.279 -26.712 1 10.28 ? CA GLN 193 A 1 +ATOM 2725 C C GLN 193 . . E 3 23.64 41.714 -26.327 1 11.96 ? C GLN 193 A 1 +ATOM 2726 O O GLN 193 . . E 3 23.527 40.537 -26.021 1 16.64 ? O GLN 193 A 1 +ATOM 2727 C CB GLN 193 . . E 3 25.87 42.284 -25.476 1 9.3 ? CB GLN 193 A 1 +ATOM 2728 C CG GLN 193 . . E 3 27.345 42.58 -25.736 1 10.66 ? CG GLN 193 A 1 +ATOM 2729 C CD GLN 193 . . E 3 28.131 42.582 -24.419 1 24.5 ? CD GLN 193 A 1 +ATOM 2730 O OE1 GLN 193 . . E 3 28.675 43.604 -24.022 1 30.4 ? OE1 GLN 193 A 1 +ATOM 2731 N NE2 GLN 193 . . E 3 28.181 41.446 -23.739 1 25.74 ? NE2 GLN 193 A 1 +ATOM 2732 N N ASN 194 . . E 3 22.641 42.582 -26.326 1 6 ? N ASN 194 A 1 +ATOM 2733 C CA ASN 194 . . E 3 21.233 42.279 -26.054 1 13.25 ? CA ASN 194 A 1 +ATOM 2734 C C ASN 194 . . E 3 20.955 42.179 -24.56 1 18.36 ? C ASN 194 A 1 +ATOM 2735 O O ASN 194 . . E 3 20.029 41.482 -24.131 1 32.17 ? O ASN 194 A 1 +ATOM 2736 C CB ASN 194 . . E 3 20.818 40.954 -26.727 1 27.73 ? CB ASN 194 A 1 +ATOM 2737 C CG ASN 194 . . E 3 21.199 40.871 -28.23 1 44.19 ? CG ASN 194 A 1 +ATOM 2738 O OD1 ASN 194 . . E 3 20.868 41.744 -29.03 1 50.76 ? OD1 ASN 194 A 1 +ATOM 2739 N ND2 ASN 194 . . E 3 21.889 39.786 -28.609 1 55 ? ND2 ASN 194 A 1 +ATOM 2740 N N LEU 195 . . E 3 21.744 42.887 -23.755 1 13.17 ? N LEU 195 A 1 +ATOM 2741 C CA LEU 195 . . E 3 21.591 42.85 -22.302 1 14.94 ? CA LEU 195 A 1 +ATOM 2742 C C LEU 195 . . E 3 20.598 43.877 -21.746 1 18.36 ? C LEU 195 A 1 +ATOM 2743 O O LEU 195 . . E 3 20.198 43.77 -20.601 1 14.45 ? O LEU 195 A 1 +ATOM 2744 C CB LEU 195 . . E 3 22.973 43.045 -21.64 1 11.28 ? CB LEU 195 A 1 +ATOM 2745 C CG LEU 195 . . E 3 23.847 41.776 -21.746 1 9.83 ? CG LEU 195 A 1 +ATOM 2746 C CD1 LEU 195 . . E 3 25.158 42.059 -21.127 1 6 ? CD1 LEU 195 A 1 +ATOM 2747 C CD2 LEU 195 . . E 3 23.211 40.584 -21.027 1 7.24 ? CD2 LEU 195 A 1 +ATOM 2748 N N ILE 196 . . E 3 20.193 44.862 -22.543 1 31.48 ? N ILE 196 A 1 +ATOM 2749 C CA ILE 196 . . E 3 19.25 45.918 -22.12 1 27.12 ? CA ILE 196 A 1 +ATOM 2750 C C ILE 196 . . E 3 18.582 46.506 -23.365 1 26.51 ? C ILE 196 A 1 +ATOM 2751 O O ILE 196 . . E 3 18.933 46.125 -24.472 1 20.22 ? O ILE 196 A 1 +ATOM 2752 C CB ILE 196 . . E 3 19.975 47.111 -21.381 1 19.68 ? CB ILE 196 A 1 +ATOM 2753 C CG1 ILE 196 . . E 3 20.829 47.921 -22.363 1 13.37 ? CG1 ILE 196 A 1 +ATOM 2754 C CG2 ILE 196 . . E 3 20.928 46.58 -20.332 1 18.05 ? CG2 ILE 196 A 1 +ATOM 2755 C CD1 ILE 196 . . E 3 21.673 49.028 -21.682 1 11.77 ? CD1 ILE 196 A 1 +ATOM 2756 N N SER 197 . . E 3 17.603 47.382 -23.206 1 24.29 ? N SER 197 A 1 +ATOM 2757 C CA SER 197 . . E 3 17.077 48.1 -24.354 1 20.89 ? CA SER 197 A 1 +ATOM 2758 C C SER 197 . . E 3 16.804 49.468 -23.793 1 24.85 ? C SER 197 A 1 +ATOM 2759 O O SER 197 . . E 3 16.241 49.606 -22.705 1 23.41 ? O SER 197 A 1 +ATOM 2760 C CB SER 197 . . E 3 15.795 47.473 -24.885 1 12.72 ? CB SER 197 A 1 +ATOM 2761 O OG SER 197 . . E 3 14.734 47.643 -23.993 1 16.09 ? OG SER 197 A 1 +ATOM 2762 N N ALA 198 . . E 3 17.239 50.475 -24.526 1 31.93 ? N ALA 198 A 1 +ATOM 2763 C CA ALA 198 . . E 3 17.156 51.854 -24.072 1 30.93 ? CA ALA 198 A 1 +ATOM 2764 C C ALA 198 . . E 3 16.503 52.786 -25.069 1 29.93 ? C ALA 198 A 1 +ATOM 2765 O O ALA 198 . . E 3 16.359 52.447 -26.216 1 33.61 ? O ALA 198 A 1 +ATOM 2766 C CB ALA 198 . . E 3 18.545 52.337 -23.776 1 30.54 ? CB ALA 198 A 1 +ATOM 2767 N N HIS 199 . . E 3 16.159 53.99 -24.624 1 38.11 ? N HIS 199 A 1 +ATOM 2768 C CA HIS 199 . . E 3 15.483 55.008 -25.451 1 36.12 ? CA HIS 199 A 1 +ATOM 2769 C C HIS 199 . . E 3 14.906 56.079 -24.477 1 35.84 ? C HIS 199 A 1 +ATOM 2770 O O HIS 199 . . E 3 13.855 56.647 -24.726 1 34.63 ? O HIS 199 A 1 +ATOM 2771 C CB HIS 199 . . E 3 14.393 54.274 -26.239 1 38.64 ? CB HIS 199 A 1 +ATOM 2772 C CG HIS 199 . . E 3 13.387 55.16 -26.881 1 50.54 ? CG HIS 199 A 1 +ATOM 2773 N ND1 HIS 199 . . E 3 12.048 55.106 -26.558 1 47.44 ? ND1 HIS 199 A 1 +ATOM 2774 C CD2 HIS 199 . . E 3 13.516 56.141 -27.809 1 50.46 ? CD2 HIS 199 A 1 +ATOM 2775 C CE1 HIS 199 . . E 3 11.387 56.013 -27.252 1 50.9 ? CE1 HIS 199 A 1 +ATOM 2776 N NE2 HIS 199 . . E 3 12.257 56.653 -28.018 1 53.55 ? NE2 HIS 199 A 1 +ATOM 2777 N N GLY 200 . . E 3 15.633 56.361 -23.393 1 40.6 ? N GLY 200 A 1 +ATOM 2778 C CA GLY 200 . . E 3 15.18 57.237 -22.306 1 38.26 ? CA GLY 200 A 1 +ATOM 2779 C C GLY 200 . . E 3 14.804 56.313 -21.127 1 39.05 ? C GLY 200 A 1 +ATOM 2780 O O GLY 200 . . E 3 15.325 56.376 -19.982 1 22.5 ? O GLY 200 A 1 +ATOM 2781 N N LYS 201 . . E 3 13.834 55.449 -21.403 1 40.63 ? N LYS 201 A 1 +ATOM 2782 C CA LYS 201 . . E 3 13.513 54.431 -20.435 1 39.59 ? CA LYS 201 A 1 +ATOM 2783 C C LYS 201 . . E 3 14.408 53.265 -20.819 1 36.65 ? C LYS 201 A 1 +ATOM 2784 O O LYS 201 . . E 3 14.655 53.04 -21.996 1 41.86 ? O LYS 201 A 1 +ATOM 2785 C CB LYS 201 . . E 3 12.014 54.072 -20.514 1 37.87 ? CB LYS 201 A 1 +ATOM 2786 C CG LYS 201 . . E 3 11.402 53.85 -21.875 1 38.9 ? CG LYS 201 A 1 +ATOM 2787 C CD LYS 201 . . E 3 11.902 52.585 -22.569 1 43.23 ? CD LYS 201 A 1 +ATOM 2788 C CE LYS 201 . . E 3 11.087 52.226 -23.844 1 44.23 ? CE LYS 201 A 1 +ATOM 2789 N NZ LYS 201 . . E 3 11.62 50.97 -24.482 1 41.29 ? NZ LYS 201 A 1 +ATOM 2790 N N THR 202 . . E 3 14.944 52.558 -19.84 1 28.72 ? N THR 202 A 1 +ATOM 2791 C CA THR 202 . . E 3 15.822 51.453 -20.15 1 19.94 ? CA THR 202 A 1 +ATOM 2792 C C THR 202 . . E 3 15.253 50.205 -19.575 1 18.34 ? C THR 202 A 1 +ATOM 2793 O O THR 202 . . E 3 14.516 50.265 -18.598 1 18.19 ? O THR 202 A 1 +ATOM 2794 C CB THR 202 . . E 3 17.185 51.635 -19.551 1 18.1 ? CB THR 202 A 1 +ATOM 2795 O OG1 THR 202 . . E 3 17.719 52.896 -19.955 1 22.06 ? OG1 THR 202 A 1 +ATOM 2796 C CG2 THR 202 . . E 3 18.123 50.582 -20.051 1 16.92 ? CG2 THR 202 A 1 +ATOM 2797 N N ILE 203 . . E 3 15.571 49.082 -20.193 1 12.33 ? N ILE 203 A 1 +ATOM 2798 C CA ILE 203 . . E 3 15.131 47.801 -19.689 1 17.49 ? CA ILE 203 A 1 +ATOM 2799 C C ILE 203 . . E 3 16.394 47.051 -19.385 1 20.87 ? C ILE 203 A 1 +ATOM 2800 O O ILE 203 . . E 3 17.32 47.026 -20.205 1 25.38 ? O ILE 203 A 1 +ATOM 2801 C CB ILE 203 . . E 3 14.324 46.957 -20.731 1 30.93 ? CB ILE 203 A 1 +ATOM 2802 C CG1 ILE 203 . . E 3 12.945 47.573 -20.95 1 29.56 ? CG1 ILE 203 A 1 +ATOM 2803 C CG2 ILE 203 . . E 3 14.214 45.513 -20.253 1 29.31 ? CG2 ILE 203 A 1 +ATOM 2804 C CD1 ILE 203 . . E 3 12.963 48.788 -21.845 1 39.12 ? CD1 ILE 203 A 1 +ATOM 2805 N N VAL 204 . . E 3 16.475 46.493 -18.189 1 22.88 ? N VAL 204 A 1 +ATOM 2806 C CA VAL 204 . . E 3 17.632 45.693 -17.845 1 19.38 ? CA VAL 204 A 1 +ATOM 2807 C C VAL 204 . . E 3 17.099 44.261 -18.011 1 24.35 ? C VAL 204 A 1 +ATOM 2808 O O VAL 204 . . E 3 15.936 43.974 -17.64 1 14.54 ? O VAL 204 A 1 +ATOM 2809 C CB VAL 204 . . E 3 18.048 45.966 -16.394 1 18.13 ? CB VAL 204 A 1 +ATOM 2810 C CG1 VAL 204 . . E 3 19.384 45.296 -16.098 1 21.2 ? CG1 VAL 204 A 1 +ATOM 2811 C CG2 VAL 204 . . E 3 18.13 47.463 -16.174 1 29.06 ? CG2 VAL 204 A 1 +ATOM 2812 N N VAL 205 . . E 3 17.949 43.395 -18.564 1 26.57 ? N VAL 205 A 1 +ATOM 2813 C CA VAL 205 . . E 3 17.664 41.974 -18.886 1 29.35 ? CA VAL 205 A 1 +ATOM 2814 C C VAL 205 . . E 3 17.006 41.936 -20.263 1 30.49 ? C VAL 205 A 1 +ATOM 2815 O O VAL 205 . . E 3 15.794 42.006 -20.424 1 24.27 ? O VAL 205 A 1 +ATOM 2816 C CB VAL 205 . . E 3 16.729 41.301 -17.811 1 27.54 ? CB VAL 205 A 1 +ATOM 2817 C CG1 VAL 205 . . E 3 16.268 39.902 -18.225 1 28.28 ? CG1 VAL 205 A 1 +ATOM 2818 C CG2 VAL 205 . . E 3 17.522 41.095 -16.563 1 34.11 ? CG2 VAL 205 A 1 +ATOM 2819 N N TYR 206 . . E 3 17.893 41.873 -21.254 1 37.63 ? N TYR 206 A 1 +ATOM 2820 C CA TYR 206 . . E 3 17.576 41.828 -22.675 1 43.47 ? CA TYR 206 A 1 +ATOM 2821 C C TYR 206 . . E 3 16.423 42.716 -23.135 1 48.68 ? C TYR 206 A 1 +ATOM 2822 O O TYR 206 . . E 3 15.748 43.405 -22.345 1 48.78 ? O TYR 206 A 1 +ATOM 2823 C CB TYR 206 . . E 3 17.299 40.342 -23.109 1 55 ? CB TYR 206 A 1 +ATOM 2824 C CG TYR 206 . . E 3 15.95 39.653 -22.778 1 55 ? CG TYR 206 A 1 +ATOM 2825 C CD1 TYR 206 . . E 3 15.838 38.702 -21.75 1 55 ? CD1 TYR 206 A 1 +ATOM 2826 C CD2 TYR 206 . . E 3 14.797 39.941 -23.516 1 55 ? CD2 TYR 206 A 1 +ATOM 2827 C CE1 TYR 206 . . E 3 14.603 38.048 -21.479 1 54.5 ? CE1 TYR 206 A 1 +ATOM 2828 C CE2 TYR 206 . . E 3 13.568 39.302 -23.258 1 55 ? CE2 TYR 206 A 1 +ATOM 2829 C CZ TYR 206 . . E 3 13.467 38.36 -22.242 1 55 ? CZ TYR 206 A 1 +ATOM 2830 O OH TYR 206 . . E 3 12.219 37.75 -22.026 1 55 ? OH TYR 206 A 1 +ATOM 2831 N N GLY 207 . . E 3 16.218 42.703 -24.439 1 50.28 ? N GLY 207 A 1 +ATOM 2832 C CA GLY 207 . . E 3 15.171 43.51 -25.023 1 48.38 ? CA GLY 207 A 1 +ATOM 2833 C C GLY 207 . . E 3 15.777 44.266 -26.18 1 48.9 ? C GLY 207 A 1 +ATOM 2834 O O GLY 207 . . E 3 15.061 45.093 -26.801 1 48.99 ? O GLY 207 A 1 +ATOM 2835 N N PRO 9 . . F 3 32.458 55.919 32.757 1 37.76 ? N PRO 9 B 1 +ATOM 2836 C CA PRO 9 . . F 3 31.061 56.308 33.04 1 42.32 ? CA PRO 9 B 1 +ATOM 2837 C C PRO 9 . . F 3 30.11 55.175 32.674 1 42.87 ? C PRO 9 B 1 +ATOM 2838 O O PRO 9 . . F 3 29.905 54.235 33.456 1 39.62 ? O PRO 9 B 1 +ATOM 2839 C CB PRO 9 . . F 3 30.821 57.571 32.223 1 40.69 ? CB PRO 9 B 1 +ATOM 2840 C CG PRO 9 . . F 3 31.619 57.247 30.946 1 41.95 ? CG PRO 9 B 1 +ATOM 2841 C CD PRO 9 . . F 3 32.907 56.647 31.525 1 43.1 ? CD PRO 9 B 1 +ATOM 2842 N N THR 10 . . F 3 29.529 55.27 31.484 1 43.95 ? N THR 10 B 1 +ATOM 2843 C CA THR 10 . . F 3 28.632 54.234 30.999 1 40.86 ? CA THR 10 B 1 +ATOM 2844 C C THR 10 . . F 3 29.481 53.006 30.641 1 36.55 ? C THR 10 B 1 +ATOM 2845 O O THR 10 . . F 3 29.137 51.878 30.967 1 34.19 ? O THR 10 B 1 +ATOM 2846 C CB THR 10 . . F 3 27.857 54.711 29.715 1 40.48 ? CB THR 10 B 1 +ATOM 2847 O OG1 THR 10 . . F 3 27.258 55.99 29.938 1 35.33 ? OG1 THR 10 B 1 +ATOM 2848 C CG2 THR 10 . . F 3 26.755 53.755 29.376 1 34.81 ? CG2 THR 10 B 1 +ATOM 2849 N N LEU 11 . . F 3 30.621 53.27 30.002 1 33.11 ? N LEU 11 B 1 +ATOM 2850 C CA LEU 11 . . F 3 31.501 52.225 29.469 1 36.38 ? CA LEU 11 B 1 +ATOM 2851 C C LEU 11 . . F 3 31.904 51.108 30.418 1 38.94 ? C LEU 11 B 1 +ATOM 2852 O O LEU 11 . . F 3 32.097 49.996 29.943 1 33.94 ? O LEU 11 B 1 +ATOM 2853 C CB LEU 11 . . F 3 32.805 52.824 28.912 1 27.13 ? CB LEU 11 B 1 +ATOM 2854 C CG LEU 11 . . F 3 32.748 53.835 27.772 1 23.02 ? CG LEU 11 B 1 +ATOM 2855 C CD1 LEU 11 . . F 3 34.161 53.918 27.222 1 27.23 ? CD1 LEU 11 B 1 +ATOM 2856 C CD2 LEU 11 . . F 3 31.807 53.43 26.663 1 6.56 ? CD2 LEU 11 B 1 +ATOM 2857 N N GLU 12 . . F 3 32.042 51.37 31.723 1 44.43 ? N GLU 12 B 1 +ATOM 2858 C CA GLU 12 . . F 3 32.478 50.31 32.626 1 40.52 ? CA GLU 12 B 1 +ATOM 2859 C C GLU 12 . . F 3 31.4 49.304 32.887 1 33.49 ? C GLU 12 B 1 +ATOM 2860 O O GLU 12 . . F 3 31.705 48.116 32.899 1 36.19 ? O GLU 12 B 1 +ATOM 2861 C CB GLU 12 . . F 3 32.976 50.894 33.965 1 46.7 ? CB GLU 12 B 1 +ATOM 2862 C CG GLU 12 . . F 3 34.478 51.375 33.932 1 47.64 ? CG GLU 12 B 1 +ATOM 2863 C CD GLU 12 . . F 3 35.526 50.24 33.665 1 51.36 ? CD GLU 12 B 1 +ATOM 2864 O OE1 GLU 12 . . F 3 35.124 49.076 33.4 1 52.48 ? OE1 GLU 12 B 1 +ATOM 2865 O OE2 GLU 12 . . F 3 36.759 50.496 33.726 1 50.54 ? OE2 GLU 12 B 1 +ATOM 2866 N N TRP 13 . . F 3 30.156 49.725 33.083 1 25.07 ? N TRP 13 B 1 +ATOM 2867 C CA TRP 13 . . F 3 29.129 48.71 33.26 1 27.05 ? CA TRP 13 B 1 +ATOM 2868 C C TRP 13 . . F 3 29.084 47.877 31.964 1 31.78 ? C TRP 13 B 1 +ATOM 2869 O O TRP 13 . . F 3 28.862 46.654 31.996 1 37.55 ? O TRP 13 B 1 +ATOM 2870 C CB TRP 13 . . F 3 27.762 49.348 33.511 1 26.56 ? CB TRP 13 B 1 +ATOM 2871 C CG TRP 13 . . F 3 26.905 49.489 32.315 1 29.3 ? CG TRP 13 B 1 +ATOM 2872 C CD1 TRP 13 . . F 3 27.13 50.276 31.229 1 27.96 ? CD1 TRP 13 B 1 +ATOM 2873 C CD2 TRP 13 . . F 3 25.66 48.824 32.077 1 30.19 ? CD2 TRP 13 B 1 +ATOM 2874 N NE1 TRP 13 . . F 3 26.103 50.154 30.317 1 27.93 ? NE1 TRP 13 B 1 +ATOM 2875 C CE2 TRP 13 . . F 3 25.183 49.269 30.81 1 39.66 ? CE2 TRP 13 B 1 +ATOM 2876 C CE3 TRP 13 . . F 3 24.896 47.899 32.806 1 27.46 ? CE3 TRP 13 B 1 +ATOM 2877 C CZ2 TRP 13 . . F 3 23.972 48.819 30.253 1 42.68 ? CZ2 TRP 13 B 1 +ATOM 2878 C CZ3 TRP 13 . . F 3 23.69 47.449 32.256 1 35.1 ? CZ3 TRP 13 B 1 +ATOM 2879 C CH2 TRP 13 . . F 3 23.243 47.913 30.988 1 43.87 ? CH2 TRP 13 B 1 +ATOM 2880 N N PHE 14 . . F 3 29.297 48.558 30.826 1 38.54 ? N PHE 14 B 1 +ATOM 2881 C CA PHE 14 . . F 3 29.356 47.941 29.48 1 28.83 ? CA PHE 14 B 1 +ATOM 2882 C C PHE 14 . . F 3 30.544 47.004 29.408 1 27.84 ? C PHE 14 B 1 +ATOM 2883 O O PHE 14 . . F 3 30.401 45.804 29.175 1 28.9 ? O PHE 14 B 1 +ATOM 2884 C CB PHE 14 . . F 3 29.518 49.032 28.378 1 30.58 ? CB PHE 14 B 1 +ATOM 2885 C CG PHE 14 . . F 3 29.981 48.524 26.987 1 19.41 ? CG PHE 14 B 1 +ATOM 2886 C CD1 PHE 14 . . F 3 29.073 48.013 26.063 1 17.79 ? CD1 PHE 14 B 1 +ATOM 2887 C CD2 PHE 14 . . F 3 31.321 48.543 26.652 1 13.08 ? CD2 PHE 14 B 1 +ATOM 2888 C CE1 PHE 14 . . F 3 29.489 47.537 24.866 1 14.72 ? CE1 PHE 14 B 1 +ATOM 2889 C CE2 PHE 14 . . F 3 31.736 48.073 25.472 1 13.06 ? CE2 PHE 14 B 1 +ATOM 2890 C CZ PHE 14 . . F 3 30.811 47.558 24.566 1 16.63 ? CZ PHE 14 B 1 +ATOM 2891 N N LEU 15 . . F 3 31.71 47.57 29.681 1 17.39 ? N LEU 15 B 1 +ATOM 2892 C CA LEU 15 . . F 3 32.948 46.865 29.526 1 22.6 ? CA LEU 15 B 1 +ATOM 2893 C C LEU 15 . . F 3 33.068 45.781 30.536 1 24.82 ? C LEU 15 B 1 +ATOM 2894 O O LEU 15 . . F 3 34.022 45.025 30.483 1 33.6 ? O LEU 15 B 1 +ATOM 2895 C CB LEU 15 . . F 3 34.126 47.861 29.642 1 39.7 ? CB LEU 15 B 1 +ATOM 2896 C CG LEU 15 . . F 3 35.397 47.719 28.729 1 53.9 ? CG LEU 15 B 1 +ATOM 2897 C CD1 LEU 15 . . F 3 36.286 48.993 28.907 1 50.82 ? CD1 LEU 15 B 1 +ATOM 2898 C CD2 LEU 15 . . F 3 36.197 46.417 29.087 1 54.49 ? CD2 LEU 15 B 1 +ATOM 2899 N N SER 16 . . F 3 32.118 45.699 31.465 1 37.79 ? N SER 16 B 1 +ATOM 2900 C CA SER 16 . . F 3 32.175 44.635 32.463 1 39.52 ? CA SER 16 B 1 +ATOM 2901 C C SER 16 . . F 3 31.641 43.343 31.842 1 37.51 ? C SER 16 B 1 +ATOM 2902 O O SER 16 . . F 3 32.288 42.302 31.899 1 39.32 ? O SER 16 B 1 +ATOM 2903 C CB SER 16 . . F 3 31.343 45.027 33.74 1 41.54 ? CB SER 16 B 1 +ATOM 2904 O OG SER 16 . . F 3 29.903 45.029 33.661 1 27.56 ? OG SER 16 B 1 +ATOM 2905 N N HIS 17 . . F 3 30.493 43.437 31.192 1 34.03 ? N HIS 17 B 1 +ATOM 2906 C CA HIS 17 . . F 3 29.834 42.292 30.577 1 34.83 ? CA HIS 17 B 1 +ATOM 2907 C C HIS 17 . . F 3 30.555 41.664 29.381 1 35.6 ? C HIS 17 B 1 +ATOM 2908 O O HIS 17 . . F 3 30.018 40.742 28.757 1 36.69 ? O HIS 17 B 1 +ATOM 2909 C CB HIS 17 . . F 3 28.434 42.704 30.129 1 37.55 ? CB HIS 17 B 1 +ATOM 2910 C CG HIS 17 . . F 3 27.521 43.07 31.257 1 47.45 ? CG HIS 17 B 1 +ATOM 2911 N ND1 HIS 17 . . F 3 27.926 43.843 32.328 1 41.72 ? ND1 HIS 17 B 1 +ATOM 2912 C CD2 HIS 17 . . F 3 26.22 42.758 31.484 1 47.41 ? CD2 HIS 17 B 1 +ATOM 2913 C CE1 HIS 17 . . F 3 26.913 43.988 33.165 1 44.66 ? CE1 HIS 17 B 1 +ATOM 2914 N NE2 HIS 17 . . F 3 25.867 43.34 32.677 1 36.89 ? NE2 HIS 17 B 1 +ATOM 2915 N N CYS 18 . . F 3 31.743 42.135 29.029 1 35.27 ? N CYS 18 B 1 +ATOM 2916 C CA CYS 18 . . F 3 32.412 41.573 27.848 1 41.77 ? CA CYS 18 B 1 +ATOM 2917 C C CYS 18 . . F 3 33.527 40.563 28.133 1 36.56 ? C CYS 18 B 1 +ATOM 2918 O O CYS 18 . . F 3 34.124 40.568 29.207 1 37.26 ? O CYS 18 B 1 +ATOM 2919 C CB CYS 18 . . F 3 33.034 42.693 26.979 1 49.42 ? CB CYS 18 B 1 +ATOM 2920 S SG CYS 18 . . F 3 31.923 43.822 26.055 1 41.66 ? SG CYS 18 B 1 +ATOM 2921 N N HIS 19 . . F 3 33.803 39.694 27.162 1 25.23 ? N HIS 19 B 1 +ATOM 2922 C CA HIS 19 . . F 3 34.932 38.799 27.287 1 22.22 ? CA HIS 19 B 1 +ATOM 2923 C C HIS 19 . . F 3 36.066 39.503 26.587 1 21.14 ? C HIS 19 B 1 +ATOM 2924 O O HIS 19 . . F 3 35.923 39.97 25.462 1 34.45 ? O HIS 19 B 1 +ATOM 2925 C CB HIS 19 . . F 3 34.524 37.484 26.671 1 16.66 ? CB HIS 19 B 1 +ATOM 2926 C CG HIS 19 . . F 3 33.458 36.834 27.491 1 31.62 ? CG HIS 19 B 1 +ATOM 2927 N ND1 HIS 19 . . F 3 32.145 37.253 27.463 1 34.38 ? ND1 HIS 19 B 1 +ATOM 2928 C CD2 HIS 19 . . F 3 33.52 35.863 28.43 1 27.12 ? CD2 HIS 19 B 1 +ATOM 2929 C CE1 HIS 19 . . F 3 31.444 36.573 28.356 1 27.9 ? CE1 HIS 19 B 1 +ATOM 2930 N NE2 HIS 19 . . F 3 32.255 35.726 28.954 1 23.94 ? NE2 HIS 19 B 1 +ATOM 2931 N N ILE 20 . . F 3 37.188 39.622 27.257 1 13.35 ? N ILE 20 B 1 +ATOM 2932 C CA ILE 20 . . F 3 38.245 40.424 26.695 1 10.09 ? CA ILE 20 B 1 +ATOM 2933 C C ILE 20 . . F 3 39.35 39.611 26.046 1 15.22 ? C ILE 20 B 1 +ATOM 2934 O O ILE 20 . . F 3 39.764 38.631 26.663 1 20.27 ? O ILE 20 B 1 +ATOM 2935 C CB ILE 20 . . F 3 38.849 41.299 27.802 1 14.23 ? CB ILE 20 B 1 +ATOM 2936 C CG1 ILE 20 . . F 3 37.699 41.896 28.659 1 16.48 ? CG1 ILE 20 B 1 +ATOM 2937 C CG2 ILE 20 . . F 3 39.787 42.345 27.166 1 12.88 ? CG2 ILE 20 B 1 +ATOM 2938 C CD1 ILE 20 . . F 3 36.555 42.638 27.965 1 16.05 ? CD1 ILE 20 B 1 +ATOM 2939 N N HIS 21 . . F 3 39.869 40.024 24.862 1 14.39 ? N HIS 21 B 1 +ATOM 2940 C CA HIS 21 . . F 3 40.975 39.276 24.215 1 9.36 ? CA HIS 21 B 1 +ATOM 2941 C C HIS 21 . . F 3 42.106 40.157 23.7 1 10.34 ? C HIS 21 B 1 +ATOM 2942 O O HIS 21 . . F 3 41.943 41.314 23.339 1 15.95 ? O HIS 21 B 1 +ATOM 2943 C CB HIS 21 . . F 3 40.477 38.436 23.008 1 22.76 ? CB HIS 21 B 1 +ATOM 2944 C CG HIS 21 . . F 3 39.189 37.702 23.244 1 26.39 ? CG HIS 21 B 1 +ATOM 2945 N ND1 HIS 21 . . F 3 37.955 38.266 22.981 1 33.2 ? ND1 HIS 21 B 1 +ATOM 2946 C CD2 HIS 21 . . F 3 38.94 36.453 23.705 1 34.96 ? CD2 HIS 21 B 1 +ATOM 2947 C CE1 HIS 21 . . F 3 37.003 37.395 23.264 1 32.45 ? CE1 HIS 21 B 1 +ATOM 2948 N NE2 HIS 21 . . F 3 37.573 36.287 23.706 1 35.08 ? NE2 HIS 21 B 1 +ATOM 2949 N N LYS 22 . . F 3 43.274 39.567 23.662 1 6 ? N LYS 22 B 1 +ATOM 2950 C CA LYS 22 . . F 3 44.432 40.253 23.21 1 14.86 ? CA LYS 22 B 1 +ATOM 2951 C C LYS 22 . . F 3 44.866 39.66 21.838 1 22.98 ? C LYS 22 B 1 +ATOM 2952 O O LYS 22 . . F 3 45.241 38.49 21.754 1 38.29 ? O LYS 22 B 1 +ATOM 2953 C CB LYS 22 . . F 3 45.559 40.098 24.248 1 21.82 ? CB LYS 22 B 1 +ATOM 2954 C CG LYS 22 . . F 3 45.213 40.498 25.686 1 34.06 ? CG LYS 22 B 1 +ATOM 2955 C CD LYS 22 . . F 3 46.432 40.936 26.557 1 36.98 ? CD LYS 22 B 1 +ATOM 2956 C CE LYS 22 . . F 3 47.552 39.891 26.815 1 43.07 ? CE LYS 22 B 1 +ATOM 2957 N NZ LYS 22 . . F 3 48.615 39.675 25.751 1 44.52 ? NZ LYS 22 B 1 +ATOM 2958 N N TYR 23 . . F 3 44.788 40.435 20.76 1 18 ? N TYR 23 B 1 +ATOM 2959 C CA TYR 23 . . F 3 45.19 39.969 19.449 1 14.94 ? CA TYR 23 B 1 +ATOM 2960 C C TYR 23 . . F 3 46.593 40.414 19.156 1 14.27 ? C TYR 23 B 1 +ATOM 2961 O O TYR 23 . . F 3 46.896 41.585 19.308 1 19.55 ? O TYR 23 B 1 +ATOM 2962 C CB TYR 23 . . F 3 44.263 40.534 18.4 1 21.04 ? CB TYR 23 B 1 +ATOM 2963 C CG TYR 23 . . F 3 42.893 39.944 18.419 1 16.74 ? CG TYR 23 B 1 +ATOM 2964 C CD1 TYR 23 . . F 3 42.608 38.779 17.694 1 21.43 ? CD1 TYR 23 B 1 +ATOM 2965 C CD2 TYR 23 . . F 3 41.878 40.534 19.128 1 18.4 ? CD2 TYR 23 B 1 +ATOM 2966 C CE1 TYR 23 . . F 3 41.326 38.222 17.683 1 14.61 ? CE1 TYR 23 B 1 +ATOM 2967 C CE2 TYR 23 . . F 3 40.593 39.977 19.118 1 18.09 ? CE2 TYR 23 B 1 +ATOM 2968 C CZ TYR 23 . . F 3 40.344 38.828 18.39 1 6 ? CZ TYR 23 B 1 +ATOM 2969 O OH TYR 23 . . F 3 39.087 38.327 18.342 1 14.48 ? OH TYR 23 B 1 +ATOM 2970 N N PRO 24 . . F 3 47.478 39.502 18.755 1 6.77 ? N PRO 24 B 1 +ATOM 2971 C CA PRO 24 . . F 3 48.831 39.891 18.326 1 8.53 ? CA PRO 24 B 1 +ATOM 2972 C C PRO 24 . . F 3 48.743 40.735 17.073 1 11.19 ? C PRO 24 B 1 +ATOM 2973 O O PRO 24 . . F 3 47.733 40.685 16.377 1 9.24 ? O PRO 24 B 1 +ATOM 2974 C CB PRO 24 . . F 3 49.538 38.553 18.13 1 6 ? CB PRO 24 B 1 +ATOM 2975 C CG PRO 24 . . F 3 48.407 37.704 17.602 1 9.82 ? CG PRO 24 B 1 +ATOM 2976 C CD PRO 24 . . F 3 47.328 38.035 18.651 1 8.28 ? CD PRO 24 B 1 +ATOM 2977 N N SER 25 . . F 3 49.771 41.501 16.77 1 13.72 ? N SER 25 B 1 +ATOM 2978 C CA SER 25 . . F 3 49.722 42.307 15.561 1 21.63 ? CA SER 25 B 1 +ATOM 2979 C C SER 25 . . F 3 49.718 41.439 14.294 1 17.59 ? C SER 25 B 1 +ATOM 2980 O O SER 25 . . F 3 50.435 40.447 14.196 1 23.55 ? O SER 25 B 1 +ATOM 2981 C CB SER 25 . . F 3 50.914 43.246 15.524 1 19.72 ? CB SER 25 B 1 +ATOM 2982 O OG SER 25 . . F 3 52.113 42.521 15.645 1 31.54 ? OG SER 25 B 1 +ATOM 2983 N N LYS 26 . . F 3 48.887 41.871 13.352 1 19.23 ? N LYS 26 B 1 +ATOM 2984 C CA LYS 26 . . F 3 48.616 41.3 12.024 1 20.75 ? CA LYS 26 B 1 +ATOM 2985 C C LYS 26 . . F 3 47.551 40.231 12.078 1 16.14 ? C LYS 26 B 1 +ATOM 2986 O O LYS 26 . . F 3 47.21 39.642 11.055 1 18.18 ? O LYS 26 B 1 +ATOM 2987 C CB LYS 26 . . F 3 49.895 40.709 11.407 1 25.5 ? CB LYS 26 B 1 +ATOM 2988 C CG LYS 26 . . F 3 49.71 39.829 10.156 1 40.29 ? CG LYS 26 B 1 +ATOM 2989 C CD LYS 26 . . F 3 49.004 40.462 8.917 1 34.06 ? CD LYS 26 B 1 +ATOM 2990 C CE LYS 26 . . F 3 49.688 41.738 8.396 1 33.9 ? CE LYS 26 B 1 +ATOM 2991 N NZ LYS 26 . . F 3 51.18 41.653 8.255 1 31.77 ? NZ LYS 26 B 1 +ATOM 2992 N N SER 27 . . F 3 46.969 39.987 13.248 1 17.89 ? N SER 27 B 1 +ATOM 2993 C CA SER 27 . . F 3 45.95 38.946 13.231 1 16.83 ? CA SER 27 B 1 +ATOM 2994 C C SER 27 . . F 3 44.657 39.424 12.561 1 19.61 ? C SER 27 B 1 +ATOM 2995 O O SER 27 . . F 3 44.398 40.603 12.302 1 9.87 ? O SER 27 B 1 +ATOM 2996 C CB SER 27 . . F 3 45.651 38.421 14.676 1 15.62 ? CB SER 27 B 1 +ATOM 2997 O OG SER 27 . . F 3 45.285 39.36 15.681 1 13.75 ? OG SER 27 B 1 +ATOM 2998 N N THR 28 . . F 3 43.825 38.462 12.26 1 21.25 ? N THR 28 B 1 +ATOM 2999 C CA THR 28 . . F 3 42.62 38.758 11.555 1 20.93 ? CA THR 28 B 1 +ATOM 3000 C C THR 28 . . F 3 41.431 38.665 12.505 1 25.98 ? C THR 28 B 1 +ATOM 3001 O O THR 28 . . F 3 40.951 37.562 12.795 1 31.52 ? O THR 28 B 1 +ATOM 3002 C CB THR 28 . . F 3 42.567 37.767 10.385 1 15.71 ? CB THR 28 B 1 +ATOM 3003 O OG1 THR 28 . . F 3 43.717 37.982 9.54 1 13.94 ? OG1 THR 28 B 1 +ATOM 3004 C CG2 THR 28 . . F 3 41.322 37.932 9.61 1 9.93 ? CG2 THR 28 B 1 +ATOM 3005 N N LEU 29 . . F 3 40.975 39.817 13.011 1 18.06 ? N LEU 29 B 1 +ATOM 3006 C CA LEU 29 . . F 3 39.83 39.864 13.918 1 9.45 ? CA LEU 29 B 1 +ATOM 3007 C C LEU 29 . . F 3 38.568 39.478 13.247 1 6 ? C LEU 29 B 1 +ATOM 3008 O O LEU 29 . . F 3 37.78 38.767 13.826 1 7.91 ? O LEU 29 B 1 +ATOM 3009 C CB LEU 29 . . F 3 39.578 41.25 14.484 1 10.97 ? CB LEU 29 B 1 +ATOM 3010 C CG LEU 29 . . F 3 40.511 42.023 15.422 1 22.39 ? CG LEU 29 B 1 +ATOM 3011 C CD1 LEU 29 . . F 3 39.795 42.264 16.788 1 13.4 ? CD1 LEU 29 B 1 +ATOM 3012 C CD2 LEU 29 . . F 3 41.848 41.277 15.479 1 6 ? CD2 LEU 29 B 1 +ATOM 3013 N N ILE 30 . . F 3 38.361 39.981 12.031 1 8.21 ? N ILE 30 B 1 +ATOM 3014 C CA ILE 30 . . F 3 37.118 39.76 11.28 1 6.64 ? CA ILE 30 B 1 +ATOM 3015 C C ILE 30 . . F 3 37.375 39.366 9.802 1 14.5 ? C ILE 30 B 1 +ATOM 3016 O O ILE 30 . . F 3 38.346 39.835 9.198 1 8.89 ? O ILE 30 B 1 +ATOM 3017 C CB ILE 30 . . F 3 36.272 41.042 11.312 1 12.51 ? CB ILE 30 B 1 +ATOM 3018 C CG1 ILE 30 . . F 3 35.933 41.408 12.752 1 12.57 ? CG1 ILE 30 B 1 +ATOM 3019 C CG2 ILE 30 . . F 3 35.016 40.842 10.538 1 10.78 ? CG2 ILE 30 B 1 +ATOM 3020 C CD1 ILE 30 . . F 3 34.92 42.511 12.843 1 6 ? CD1 ILE 30 B 1 +ATOM 3021 N N HIS 31 . . F 3 36.509 38.514 9.235 1 7.83 ? N HIS 31 B 1 +ATOM 3022 C CA HIS 31 . . F 3 36.632 38.072 7.842 1 14.58 ? CA HIS 31 B 1 +ATOM 3023 C C HIS 31 . . F 3 35.425 38.523 7.03 1 17.66 ? C HIS 31 B 1 +ATOM 3024 O O HIS 31 . . F 3 34.288 38.497 7.512 1 24.15 ? O HIS 31 B 1 +ATOM 3025 C CB HIS 31 . . F 3 36.697 36.523 7.7 1 31.78 ? CB HIS 31 B 1 +ATOM 3026 C CG HIS 31 . . F 3 38.009 35.895 8.074 1 37.88 ? CG HIS 31 B 1 +ATOM 3027 N ND1 HIS 31 . . F 3 38.341 35.561 9.372 1 39.86 ? ND1 HIS 31 B 1 +ATOM 3028 C CD2 HIS 31 . . F 3 39.07 35.531 7.31 1 46.34 ? CD2 HIS 31 B 1 +ATOM 3029 C CE1 HIS 31 . . F 3 39.549 35.021 9.39 1 41.14 ? CE1 HIS 31 B 1 +ATOM 3030 N NE2 HIS 31 . . F 3 40.015 34.991 8.154 1 37.98 ? NE2 HIS 31 B 1 +ATOM 3031 N N GLN 32 . . F 3 35.636 38.909 5.781 1 23.12 ? N GLN 32 B 1 +ATOM 3032 C CA GLN 32 . . F 3 34.471 39.302 5.006 1 27.47 ? CA GLN 32 B 1 +ATOM 3033 C C GLN 32 . . F 3 33.542 38.136 4.834 1 27.1 ? C GLN 32 B 1 +ATOM 3034 O O GLN 32 . . F 3 34.002 37.025 4.604 1 38.08 ? O GLN 32 B 1 +ATOM 3035 C CB GLN 32 . . F 3 34.827 39.783 3.605 1 32.49 ? CB GLN 32 B 1 +ATOM 3036 C CG GLN 32 . . F 3 35.245 41.228 3.504 1 39.62 ? CG GLN 32 B 1 +ATOM 3037 C CD GLN 32 . . F 3 34.943 41.821 2.134 1 38.88 ? CD GLN 32 B 1 +ATOM 3038 O OE1 GLN 32 . . F 3 33.786 41.847 1.705 1 35.87 ? OE1 GLN 32 B 1 +ATOM 3039 N NE2 GLN 32 . . F 3 35.977 42.309 1.445 1 43.99 ? NE2 GLN 32 B 1 +ATOM 3040 N N GLY 33 . . F 3 32.251 38.383 4.985 1 19.84 ? N GLY 33 B 1 +ATOM 3041 C CA GLY 33 . . F 3 31.256 37.359 4.727 1 14.69 ? CA GLY 33 B 1 +ATOM 3042 C C GLY 33 . . F 3 30.89 36.465 5.891 1 18.41 ? C GLY 33 B 1 +ATOM 3043 O O GLY 33 . . F 3 29.826 35.823 5.82 1 21.7 ? O GLY 33 B 1 +ATOM 3044 N N GLU 34 . . F 3 31.728 36.395 6.927 1 11.4 ? N GLU 34 B 1 +ATOM 3045 C CA GLU 34 . . F 3 31.463 35.538 8.085 1 11.02 ? CA GLU 34 B 1 +ATOM 3046 C C GLU 34 . . F 3 30.179 36.038 8.678 1 11.2 ? C GLU 34 B 1 +ATOM 3047 O O GLU 34 . . F 3 29.91 37.206 8.539 1 24.91 ? O GLU 34 B 1 +ATOM 3048 C CB GLU 34 . . F 3 32.698 35.651 9.006 1 20.14 ? CB GLU 34 B 1 +ATOM 3049 C CG GLU 34 . . F 3 32.679 35.007 10.403 1 37.34 ? CG GLU 34 B 1 +ATOM 3050 C CD GLU 34 . . F 3 32.15 35.977 11.461 1 41.39 ? CD GLU 34 B 1 +ATOM 3051 O OE1 GLU 34 . . F 3 30.928 35.972 11.661 1 36.54 ? OE1 GLU 34 B 1 +ATOM 3052 O OE2 GLU 34 . . F 3 32.944 36.754 12.073 1 37.97 ? OE2 GLU 34 B 1 +ATOM 3053 N N LYS 35 . . F 3 29.359 35.184 9.294 1 29.11 ? N LYS 35 B 1 +ATOM 3054 C CA LYS 35 . . F 3 28.042 35.638 9.8 1 34.78 ? CA LYS 35 B 1 +ATOM 3055 C C LYS 35 . . F 3 28.166 36.4 11.121 1 35.6 ? C LYS 35 B 1 +ATOM 3056 O O LYS 35 . . F 3 28.685 35.915 12.129 1 29.45 ? O LYS 35 B 1 +ATOM 3057 C CB LYS 35 . . F 3 27.069 34.423 9.962 1 33.41 ? CB LYS 35 B 1 +ATOM 3058 C CG LYS 35 . . F 3 27.248 33.48 11.157 1 26.13 ? CG LYS 35 B 1 +ATOM 3059 C CD LYS 35 . . F 3 28.69 32.949 11.277 1 41.93 ? CD LYS 35 B 1 +ATOM 3060 C CE LYS 35 . . F 3 29.021 31.6 10.585 1 46.62 ? CE LYS 35 B 1 +ATOM 3061 N NZ LYS 35 . . F 3 28.726 30.406 11.477 1 44.71 ? NZ LYS 35 B 1 +ATOM 3062 N N ALA 36 . . F 3 27.643 37.619 11.074 1 37.64 ? N ALA 36 B 1 +ATOM 3063 C CA ALA 36 . . F 3 27.747 38.576 12.148 1 33.6 ? CA ALA 36 B 1 +ATOM 3064 C C ALA 36 . . F 3 26.949 38.271 13.383 1 29.25 ? C ALA 36 B 1 +ATOM 3065 O O ALA 36 . . F 3 25.741 38.42 13.363 1 26.96 ? O ALA 36 B 1 +ATOM 3066 C CB ALA 36 . . F 3 27.347 39.9 11.624 1 27.74 ? CB ALA 36 B 1 +ATOM 3067 N N GLU 37 . . F 3 27.636 37.904 14.467 1 37.26 ? N GLU 37 B 1 +ATOM 3068 C CA GLU 37 . . F 3 26.992 37.622 15.753 1 37.4 ? CA GLU 37 B 1 +ATOM 3069 C C GLU 37 . . F 3 27.598 38.398 16.951 1 35.41 ? C GLU 37 B 1 +ATOM 3070 O O GLU 37 . . F 3 26.9 38.592 17.954 1 34.05 ? O GLU 37 B 1 +ATOM 3071 C CB GLU 37 . . F 3 27.069 36.124 16.067 1 34.07 ? CB GLU 37 B 1 +ATOM 3072 C CG GLU 37 . . F 3 25.95 35.68 16.987 1 44.03 ? CG GLU 37 B 1 +ATOM 3073 C CD GLU 37 . . F 3 24.6 35.877 16.308 1 50.13 ? CD GLU 37 B 1 +ATOM 3074 O OE1 GLU 37 . . F 3 24.542 35.59 15.087 1 53.63 ? OE1 GLU 37 B 1 +ATOM 3075 O OE2 GLU 37 . . F 3 23.613 36.313 16.957 1 45.09 ? OE2 GLU 37 B 1 +ATOM 3076 N N THR 38 . . F 3 28.856 38.842 16.861 1 27.87 ? N THR 38 B 1 +ATOM 3077 C CA THR 38 . . F 3 29.537 39.546 17.968 1 26.76 ? CA THR 38 B 1 +ATOM 3078 C C THR 38 . . F 3 29.883 41.022 17.769 1 25.94 ? C THR 38 B 1 +ATOM 3079 O O THR 38 . . F 3 30.399 41.38 16.714 1 25.29 ? O THR 38 B 1 +ATOM 3080 C CB THR 38 . . F 3 30.837 38.899 18.285 1 29.73 ? CB THR 38 B 1 +ATOM 3081 O OG1 THR 38 . . F 3 31.516 38.66 17.043 1 36.73 ? OG1 THR 38 B 1 +ATOM 3082 C CG2 THR 38 . . F 3 30.638 37.596 19.036 1 46.43 ? CG2 THR 38 B 1 +ATOM 3083 N N LEU 39 . . F 3 29.636 41.875 18.766 1 20.3 ? N LEU 39 B 1 +ATOM 3084 C CA LEU 39 . . F 3 30.067 43.285 18.663 1 19.19 ? CA LEU 39 B 1 +ATOM 3085 C C LEU 39 . . F 3 31.437 43.296 19.303 1 19.01 ? C LEU 39 B 1 +ATOM 3086 O O LEU 39 . . F 3 31.714 42.361 20.046 1 30.91 ? O LEU 39 B 1 +ATOM 3087 C CB LEU 39 . . F 3 29.139 44.271 19.445 1 18.04 ? CB LEU 39 B 1 +ATOM 3088 C CG LEU 39 . . F 3 29.412 45.805 19.28 1 29.51 ? CG LEU 39 B 1 +ATOM 3089 C CD1 LEU 39 . . F 3 29.04 46.325 17.857 1 18.65 ? CD1 LEU 39 B 1 +ATOM 3090 C CD2 LEU 39 . . F 3 28.502 46.573 20.236 1 24.87 ? CD2 LEU 39 B 1 +ATOM 3091 N N TYR 40 . . F 3 32.296 44.277 19.021 1 13.99 ? N TYR 40 B 1 +ATOM 3092 C CA TYR 40 . . F 3 33.615 44.346 19.666 1 12.21 ? CA TYR 40 B 1 +ATOM 3093 C C TYR 40 . . F 3 33.865 45.747 20.132 1 18.07 ? C TYR 40 B 1 +ATOM 3094 O O TYR 40 . . F 3 33.082 46.648 19.864 1 23.15 ? O TYR 40 B 1 +ATOM 3095 C CB TYR 40 . . F 3 34.808 44.036 18.761 1 12.84 ? CB TYR 40 B 1 +ATOM 3096 C CG TYR 40 . . F 3 34.866 42.655 18.16 1 25.14 ? CG TYR 40 B 1 +ATOM 3097 C CD1 TYR 40 . . F 3 33.798 42.141 17.429 1 23.5 ? CD1 TYR 40 B 1 +ATOM 3098 C CD2 TYR 40 . . F 3 36.007 41.873 18.281 1 21.33 ? CD2 TYR 40 B 1 +ATOM 3099 C CE1 TYR 40 . . F 3 33.876 40.888 16.835 1 27.68 ? CE1 TYR 40 B 1 +ATOM 3100 C CE2 TYR 40 . . F 3 36.095 40.638 17.696 1 17.24 ? CE2 TYR 40 B 1 +ATOM 3101 C CZ TYR 40 . . F 3 35.035 40.148 16.974 1 25.99 ? CZ TYR 40 B 1 +ATOM 3102 O OH TYR 40 . . F 3 35.131 38.92 16.36 1 37.56 ? OH TYR 40 B 1 +ATOM 3103 N N TYR 41 . . F 3 34.989 45.912 20.81 1 17.64 ? N TYR 41 B 1 +ATOM 3104 C CA TYR 41 . . F 3 35.39 47.188 21.323 1 18.09 ? CA TYR 41 B 1 +ATOM 3105 C C TYR 41 . . F 3 36.905 47.137 21.464 1 19.55 ? C TYR 41 B 1 +ATOM 3106 O O TYR 41 . . F 3 37.493 46.182 21.98 1 20.17 ? O TYR 41 B 1 +ATOM 3107 C CB TYR 41 . . F 3 34.744 47.478 22.709 1 16.69 ? CB TYR 41 B 1 +ATOM 3108 C CG TYR 41 . . F 3 34.989 48.923 23.223 1 21.47 ? CG TYR 41 B 1 +ATOM 3109 C CD1 TYR 41 . . F 3 36.216 49.298 23.795 1 24.01 ? CD1 TYR 41 B 1 +ATOM 3110 C CD2 TYR 41 . . F 3 34.019 49.924 23.067 1 24.72 ? CD2 TYR 41 B 1 +ATOM 3111 C CE1 TYR 41 . . F 3 36.472 50.63 24.19 1 28.2 ? CE1 TYR 41 B 1 +ATOM 3112 C CE2 TYR 41 . . F 3 34.257 51.251 23.454 1 18.88 ? CE2 TYR 41 B 1 +ATOM 3113 C CZ TYR 41 . . F 3 35.489 51.603 24.008 1 26.14 ? CZ TYR 41 B 1 +ATOM 3114 O OH TYR 41 . . F 3 35.754 52.921 24.322 1 18.15 ? OH TYR 41 B 1 +ATOM 3115 N N ILE 42 . . F 3 37.535 48.178 20.951 1 24.33 ? N ILE 42 B 1 +ATOM 3116 C CA ILE 42 . . F 3 38.95 48.292 21.024 1 15.99 ? CA ILE 42 B 1 +ATOM 3117 C C ILE 42 . . F 3 39.316 48.925 22.347 1 24.16 ? C ILE 42 B 1 +ATOM 3118 O O ILE 42 . . F 3 39.129 50.143 22.565 1 13.38 ? O ILE 42 B 1 +ATOM 3119 C CB ILE 42 . . F 3 39.462 49.144 19.929 1 6 ? CB ILE 42 B 1 +ATOM 3120 C CG1 ILE 42 . . F 3 39.118 48.519 18.601 1 8.63 ? CG1 ILE 42 B 1 +ATOM 3121 C CG2 ILE 42 . . F 3 40.947 49.253 20.044 1 9.34 ? CG2 ILE 42 B 1 +ATOM 3122 C CD1 ILE 42 . . F 3 39.994 49.009 17.549 1 6 ? CD1 ILE 42 B 1 +ATOM 3123 N N VAL 43 . . F 3 39.803 48.083 23.245 1 23.12 ? N VAL 43 B 1 +ATOM 3124 C CA VAL 43 . . F 3 40.201 48.557 24.536 1 24.99 ? CA VAL 43 B 1 +ATOM 3125 C C VAL 43 . . F 3 41.634 49.036 24.471 1 26.85 ? C VAL 43 B 1 +ATOM 3126 O O VAL 43 . . F 3 42.006 49.966 25.172 1 28.87 ? O VAL 43 B 1 +ATOM 3127 C CB VAL 43 . . F 3 40.041 47.448 25.551 1 27.06 ? CB VAL 43 B 1 +ATOM 3128 C CG1 VAL 43 . . F 3 40.319 47.98 26.911 1 38.37 ? CG1 VAL 43 B 1 +ATOM 3129 C CG2 VAL 43 . . F 3 38.607 46.937 25.538 1 32.14 ? CG2 VAL 43 B 1 +ATOM 3130 N N LYS 44 . . F 3 42.458 48.413 23.64 1 22.08 ? N LYS 44 B 1 +ATOM 3131 C CA LYS 44 . . F 3 43.837 48.902 23.472 1 21.38 ? CA LYS 44 B 1 +ATOM 3132 C C LYS 44 . . F 3 44.265 48.727 22.008 1 27.33 ? C LYS 44 B 1 +ATOM 3133 O O LYS 44 . . F 3 43.808 47.789 21.329 1 23.27 ? O LYS 44 B 1 +ATOM 3134 C CB LYS 44 . . F 3 44.825 48.125 24.338 1 25.14 ? CB LYS 44 B 1 +ATOM 3135 C CG LYS 44 . . F 3 46.302 48.428 23.98 1 26.68 ? CG LYS 44 B 1 +ATOM 3136 C CD LYS 44 . . F 3 47.344 47.413 24.54 1 38.05 ? CD LYS 44 B 1 +ATOM 3137 C CE LYS 44 . . F 3 48.782 47.559 23.908 1 28.9 ? CE LYS 44 B 1 +ATOM 3138 N NZ LYS 44 . . F 3 48.791 47.436 22.399 1 32.56 ? NZ LYS 44 B 1 +ATOM 3139 N N GLY 45 . . F 3 45.093 49.643 21.511 1 27.69 ? N GLY 45 B 1 +ATOM 3140 C CA GLY 45 . . F 3 45.607 49.486 20.163 1 28.58 ? CA GLY 45 B 1 +ATOM 3141 C C GLY 45 . . F 3 44.734 49.986 19.007 1 31.4 ? C GLY 45 B 1 +ATOM 3142 O O GLY 45 . . F 3 43.73 50.707 19.2 1 26.3 ? O GLY 45 B 1 +ATOM 3143 N N SER 46 . . F 3 45.123 49.522 17.808 1 25.84 ? N SER 46 B 1 +ATOM 3144 C CA SER 46 . . F 3 44.548 49.916 16.525 1 23.41 ? CA SER 46 B 1 +ATOM 3145 C C SER 46 . . F 3 44.401 48.786 15.488 1 23.3 ? C SER 46 B 1 +ATOM 3146 O O SER 46 . . F 3 45.203 47.852 15.37 1 15.38 ? O SER 46 B 1 +ATOM 3147 C CB SER 46 . . F 3 45.411 50.998 15.954 1 25.29 ? CB SER 46 B 1 +ATOM 3148 O OG SER 46 . . F 3 46.747 50.559 16.103 1 30.58 ? OG SER 46 B 1 +ATOM 3149 N N VAL 47 . . F 3 43.436 48.972 14.617 1 23.91 ? N VAL 47 B 1 +ATOM 3150 C CA VAL 47 . . F 3 43.111 47.928 13.707 1 18.4 ? CA VAL 47 B 1 +ATOM 3151 C C VAL 47 . . F 3 42.934 48.53 12.282 1 21.5 ? C VAL 47 B 1 +ATOM 3152 O O VAL 47 . . F 3 42.908 49.768 12.099 1 12.27 ? O VAL 47 B 1 +ATOM 3153 C CB VAL 47 . . F 3 41.877 47.332 14.356 1 12.57 ? CB VAL 47 B 1 +ATOM 3154 C CG1 VAL 47 . . F 3 40.662 48.133 13.908 1 6 ? CG1 VAL 47 B 1 +ATOM 3155 C CG2 VAL 47 . . F 3 41.812 45.873 14.09 1 11.73 ? CG2 VAL 47 B 1 +ATOM 3156 N N ALA 48 . . F 3 42.815 47.689 11.254 1 19.58 ? N ALA 48 B 1 +ATOM 3157 C CA ALA 48 . . F 3 42.62 48.224 9.889 1 18.16 ? CA ALA 48 B 1 +ATOM 3158 C C ALA 48 . . F 3 41.416 47.591 9.235 1 12.82 ? C ALA 48 B 1 +ATOM 3159 O O ALA 48 . . F 3 41.222 46.393 9.357 1 18.01 ? O ALA 48 B 1 +ATOM 3160 C CB ALA 48 . . F 3 43.837 47.953 9.035 1 18.92 ? CB ALA 48 B 1 +ATOM 3161 N N VAL 49 . . F 3 40.584 48.406 8.594 1 12.15 ? N VAL 49 B 1 +ATOM 3162 C CA VAL 49 . . F 3 39.412 47.93 7.854 1 13.55 ? CA VAL 49 B 1 +ATOM 3163 C C VAL 49 . . F 3 39.791 48.031 6.377 1 11.33 ? C VAL 49 B 1 +ATOM 3164 O O VAL 49 . . F 3 40.3 49.07 5.937 1 13.71 ? O VAL 49 B 1 +ATOM 3165 C CB VAL 49 . . F 3 38.162 48.806 8.098 1 6 ? CB VAL 49 B 1 +ATOM 3166 C CG1 VAL 49 . . F 3 36.94 48.068 7.601 1 11.71 ? CG1 VAL 49 B 1 +ATOM 3167 C CG2 VAL 49 . . F 3 37.996 49.093 9.569 1 6 ? CG2 VAL 49 B 1 +ATOM 3168 N N LEU 50 . . F 3 39.586 46.948 5.636 1 10.77 ? N LEU 50 B 1 +ATOM 3169 C CA LEU 50 . . F 3 39.945 46.858 4.214 1 6.94 ? CA LEU 50 B 1 +ATOM 3170 C C LEU 50 . . F 3 39.058 45.828 3.537 1 11.14 ? C LEU 50 B 1 +ATOM 3171 O O LEU 50 . . F 3 38.56 44.909 4.166 1 9.61 ? O LEU 50 B 1 +ATOM 3172 C CB LEU 50 . . F 3 41.453 46.48 4.074 1 6.19 ? CB LEU 50 B 1 +ATOM 3173 C CG LEU 50 . . F 3 42.077 45.452 5.035 1 6.38 ? CG LEU 50 B 1 +ATOM 3174 C CD1 LEU 50 . . F 3 41.565 44.092 4.679 1 12.15 ? CD1 LEU 50 B 1 +ATOM 3175 C CD2 LEU 50 . . F 3 43.557 45.502 4.971 1 6 ? CD2 LEU 50 B 1 +ATOM 3176 N N ILE 51 . . F 3 38.791 46.027 2.256 1 11.74 ? N ILE 51 B 1 +ATOM 3177 C CA ILE 51 . . F 3 37.966 45.095 1.516 1 7.46 ? CA ILE 51 B 1 +ATOM 3178 C C ILE 51 . . F 3 38.721 44.506 0.358 1 12.57 ? C ILE 51 B 1 +ATOM 3179 O O ILE 51 . . F 3 39.834 44.945 0.05 1 11.22 ? O ILE 51 B 1 +ATOM 3180 C CB ILE 51 . . F 3 36.791 45.783 1.017 1 13.08 ? CB ILE 51 B 1 +ATOM 3181 C CG1 ILE 51 . . F 3 37.187 46.733 -0.105 1 18.13 ? CG1 ILE 51 B 1 +ATOM 3182 C CG2 ILE 51 . . F 3 36.134 46.418 2.205 1 6.59 ? CG2 ILE 51 B 1 +ATOM 3183 C CD1 ILE 51 . . F 3 36.053 47.63 -0.512 1 15.17 ? CD1 ILE 51 B 1 +ATOM 3184 N N LYS 52 . . F 3 38.078 43.546 -0.31 1 19.11 ? N LYS 52 B 1 +ATOM 3185 C CA LYS 52 . . F 3 38.785 42.744 -1.317 1 19.34 ? CA LYS 52 B 1 +ATOM 3186 C C LYS 52 . . F 3 37.98 42.22 -2.478 1 21.18 ? C LYS 52 B 1 +ATOM 3187 O O LYS 52 . . F 3 36.924 41.604 -2.316 1 21.23 ? O LYS 52 B 1 +ATOM 3188 C CB LYS 52 . . F 3 39.454 41.535 -0.634 1 19.36 ? CB LYS 52 B 1 +ATOM 3189 C CG LYS 52 . . F 3 40.643 41.901 0.251 1 25.77 ? CG LYS 52 B 1 +ATOM 3190 C CD LYS 52 . . F 3 41.416 40.68 0.788 1 37.87 ? CD LYS 52 B 1 +ATOM 3191 C CE LYS 52 . . F 3 42.042 39.749 -0.291 1 40.35 ? CE LYS 52 B 1 +ATOM 3192 N NZ LYS 52 . . F 3 41.07 38.875 -1.051 1 39.02 ? NZ LYS 52 B 1 +ATOM 3193 N N ASP 53 . . F 3 38.57 42.455 -3.64 1 26.2 ? N ASP 53 B 1 +ATOM 3194 C CA ASP 53 . . F 3 38.104 42.053 -4.959 1 30.19 ? CA ASP 53 B 1 +ATOM 3195 C C ASP 53 . . F 3 38.496 40.589 -5.179 1 30.81 ? C ASP 53 B 1 +ATOM 3196 O O ASP 53 . . F 3 39.64 40.22 -4.873 1 27.23 ? O ASP 53 B 1 +ATOM 3197 C CB ASP 53 . . F 3 38.762 42.942 -6.005 1 25.68 ? CB ASP 53 B 1 +ATOM 3198 C CG ASP 53 . . F 3 38.228 42.693 -7.384 1 36.79 ? CG ASP 53 B 1 +ATOM 3199 O OD1 ASP 53 . . F 3 37.026 42.975 -7.605 1 42.51 ? OD1 ASP 53 B 1 +ATOM 3200 O OD2 ASP 53 . . F 3 39.002 42.23 -8.249 1 45.65 ? OD2 ASP 53 B 1 +ATOM 3201 N N GLU 54 . . F 3 37.597 39.776 -5.756 1 33.39 ? N GLU 54 B 1 +ATOM 3202 C CA GLU 54 . . F 3 37.875 38.341 -5.909 1 27.12 ? CA GLU 54 B 1 +ATOM 3203 C C GLU 54 . . F 3 39.2 38.062 -6.52 1 23.49 ? C GLU 54 B 1 +ATOM 3204 O O GLU 54 . . F 3 39.76 37.039 -6.234 1 28.23 ? O GLU 54 B 1 +ATOM 3205 C CB GLU 54 . . F 3 36.845 37.643 -6.755 1 16.71 ? CB GLU 54 B 1 +ATOM 3206 C CG GLU 54 . . F 3 35.473 37.551 -6.065 1 29.08 ? CG GLU 54 B 1 +ATOM 3207 C CD GLU 54 . . F 3 34.559 38.772 -6.287 1 32.03 ? CD GLU 54 B 1 +ATOM 3208 O OE1 GLU 54 . . F 3 35.049 39.793 -6.812 1 41.53 ? OE1 GLU 54 B 1 +ATOM 3209 O OE2 GLU 54 . . F 3 33.345 38.709 -5.948 1 40.23 ? OE2 GLU 54 B 1 +ATOM 3210 N N GLU 55 . . F 3 39.717 38.944 -7.357 1 29.88 ? N GLU 55 B 1 +ATOM 3211 C CA GLU 55 . . F 3 41.053 38.716 -7.898 1 27.36 ? CA GLU 55 B 1 +ATOM 3212 C C GLU 55 . . F 3 42.194 39.327 -6.987 1 33.84 ? C GLU 55 B 1 +ATOM 3213 O O GLU 55 . . F 3 43.204 39.895 -7.454 1 34.61 ? O GLU 55 B 1 +ATOM 3214 C CB GLU 55 . . F 3 41.048 39.272 -9.365 1 31.87 ? CB GLU 55 B 1 +ATOM 3215 C CG GLU 55 . . F 3 40.299 38.286 -10.351 1 34.09 ? CG GLU 55 B 1 +ATOM 3216 C CD GLU 55 . . F 3 40.226 38.613 -11.906 1 22.81 ? CD GLU 55 B 1 +ATOM 3217 O OE1 GLU 55 . . F 3 39.095 38.553 -12.481 1 11.57 ? OE1 GLU 55 B 1 +ATOM 3218 O OE2 GLU 55 . . F 3 41.263 38.889 -12.549 1 20.61 ? OE2 GLU 55 B 1 +ATOM 3219 N N GLY 56 . . F 3 41.924 39.262 -5.67 1 34.34 ? N GLY 56 B 1 +ATOM 3220 C CA GLY 56 . . F 3 42.846 39.548 -4.563 1 34.74 ? CA GLY 56 B 1 +ATOM 3221 C C GLY 56 . . F 3 43.178 41.041 -4.316 1 32.65 ? C GLY 56 B 1 +ATOM 3222 O O GLY 56 . . F 3 43.756 41.264 -3.217 1 32.52 ? O GLY 56 B 1 +ATOM 3223 N N LYS 57 . . F 3 42.911 42.066 -5.137 1 26.26 ? N LYS 57 B 1 +ATOM 3224 C CA LYS 57 . . F 3 43.391 43.403 -4.706 1 25.49 ? CA LYS 57 B 1 +ATOM 3225 C C LYS 57 . . F 3 42.632 43.931 -3.493 1 27.11 ? C LYS 57 B 1 +ATOM 3226 O O LYS 57 . . F 3 41.417 43.775 -3.419 1 35.63 ? O LYS 57 B 1 +ATOM 3227 C CB LYS 57 . . F 3 43.238 44.455 -5.817 1 34.4 ? CB LYS 57 B 1 +ATOM 3228 C CG LYS 57 . . F 3 44.01 45.775 -5.492 1 45.06 ? CG LYS 57 B 1 +ATOM 3229 C CD LYS 57 . . F 3 43.682 46.962 -6.443 1 49.96 ? CD LYS 57 B 1 +ATOM 3230 C CE LYS 57 . . F 3 44.602 48.204 -6.222 1 50.3 ? CE LYS 57 B 1 +ATOM 3231 N NZ LYS 57 . . F 3 44.754 48.758 -4.816 1 53.01 ? NZ LYS 57 B 1 +ATOM 3232 N N GLU 58 . . F 3 43.325 44.588 -2.573 1 19.02 ? N GLU 58 B 1 +ATOM 3233 C CA GLU 58 . . F 3 42.678 45.111 -1.361 1 23.13 ? CA GLU 58 B 1 +ATOM 3234 C C GLU 58 . . F 3 42.848 46.653 -1.155 1 21.01 ? C GLU 58 B 1 +ATOM 3235 O O GLU 58 . . F 3 43.859 47.242 -1.523 1 27.24 ? O GLU 58 B 1 +ATOM 3236 C CB GLU 58 . . F 3 43.229 44.336 -0.119 1 19.43 ? CB GLU 58 B 1 +ATOM 3237 C CG GLU 58 . . F 3 44.756 44.184 -0.022 1 25.1 ? CG GLU 58 B 1 +ATOM 3238 C CD GLU 58 . . F 3 45.286 43.756 1.376 1 39.64 ? CD GLU 58 B 1 +ATOM 3239 O OE1 GLU 58 . . F 3 46.506 43.43 1.495 1 27.81 ? OE1 GLU 58 B 1 +ATOM 3240 O OE2 GLU 58 . . F 3 44.501 43.765 2.363 1 37.17 ? OE2 GLU 58 B 1 +ATOM 3241 N N MET 59 . . F 3 41.838 47.291 -0.57 1 17.17 ? N MET 59 B 1 +ATOM 3242 C CA MET 59 . . F 3 41.868 48.719 -0.284 1 22.52 ? CA MET 59 B 1 +ATOM 3243 C C MET 59 . . F 3 41.525 49.025 1.176 1 19.46 ? C MET 59 B 1 +ATOM 3244 O O MET 59 . . F 3 40.489 48.568 1.669 1 25.81 ? O MET 59 B 1 +ATOM 3245 C CB MET 59 . . F 3 40.865 49.486 -1.148 1 18.54 ? CB MET 59 B 1 +ATOM 3246 C CG MET 59 . . F 3 40.577 50.888 -0.552 1 16.58 ? CG MET 59 B 1 +ATOM 3247 S SD MET 59 . . F 3 39.765 51.973 -1.66 1 24.4 ? SD MET 59 B 1 +ATOM 3248 C CE MET 59 . . F 3 41.098 52.317 -2.718 1 12.75 ? CE MET 59 B 1 +ATOM 3249 N N ILE 60 . . F 3 42.371 49.78 1.869 1 7.29 ? N ILE 60 B 1 +ATOM 3250 C CA ILE 60 . . F 3 42.077 50.161 3.238 1 6.04 ? CA ILE 60 B 1 +ATOM 3251 C C ILE 60 . . F 3 40.94 51.21 3.259 1 10.95 ? C ILE 60 B 1 +ATOM 3252 O O ILE 60 . . F 3 40.985 52.216 2.551 1 11.67 ? O ILE 60 B 1 +ATOM 3253 C CB ILE 60 . . F 3 43.3 50.794 3.925 1 13.66 ? CB ILE 60 B 1 +ATOM 3254 C CG1 ILE 60 . . F 3 44.463 49.826 3.993 1 6 ? CG1 ILE 60 B 1 +ATOM 3255 C CG2 ILE 60 . . F 3 42.93 51.157 5.355 1 21.06 ? CG2 ILE 60 B 1 +ATOM 3256 C CD1 ILE 60 . . F 3 45.696 50.496 4.602 1 14.81 ? CD1 ILE 60 B 1 +ATOM 3257 N N LEU 61 . . F 3 39.905 50.985 4.051 1 17.71 ? N LEU 61 B 1 +ATOM 3258 C CA LEU 61 . . F 3 38.808 51.955 4.198 1 20.92 ? CA LEU 61 B 1 +ATOM 3259 C C LEU 61 . . F 3 39.023 52.858 5.4 1 19.76 ? C LEU 61 B 1 +ATOM 3260 O O LEU 61 . . F 3 38.563 53.996 5.423 1 12.83 ? O LEU 61 B 1 +ATOM 3261 C CB LEU 61 . . F 3 37.491 51.278 4.426 1 12.38 ? CB LEU 61 B 1 +ATOM 3262 C CG LEU 61 . . F 3 36.887 50.646 3.219 1 16 ? CG LEU 61 B 1 +ATOM 3263 C CD1 LEU 61 . . F 3 35.953 49.541 3.63 1 14.17 ? CD1 LEU 61 B 1 +ATOM 3264 C CD2 LEU 61 . . F 3 36.229 51.734 2.433 1 16.33 ? CD2 LEU 61 B 1 +ATOM 3265 N N SER 62 . . F 3 39.683 52.334 6.423 1 20.82 ? N SER 62 B 1 +ATOM 3266 C CA SER 62 . . F 3 39.967 53.177 7.551 1 15.96 ? CA SER 62 B 1 +ATOM 3267 C C SER 62 . . F 3 40.767 52.466 8.61 1 15.64 ? C SER 62 B 1 +ATOM 3268 O O SER 62 . . F 3 40.827 51.255 8.707 1 21.79 ? O SER 62 B 1 +ATOM 3269 C CB SER 62 . . F 3 38.64 53.662 8.133 1 13.8 ? CB SER 62 B 1 +ATOM 3270 O OG SER 62 . . F 3 38.821 54.279 9.372 1 19.6 ? OG SER 62 B 1 +ATOM 3271 N N TYR 63 . . F 3 41.3 53.259 9.484 1 18.85 ? N TYR 63 B 1 +ATOM 3272 C CA TYR 63 . . F 3 42.024 52.806 10.627 1 12.36 ? CA TYR 63 B 1 +ATOM 3273 C C TYR 63 . . F 3 41.054 53.069 11.788 1 16.68 ? C TYR 63 B 1 +ATOM 3274 O O TYR 63 . . F 3 40.289 54.038 11.792 1 9.24 ? O TYR 63 B 1 +ATOM 3275 C CB TYR 63 . . F 3 43.306 53.621 10.773 1 15.22 ? CB TYR 63 B 1 +ATOM 3276 C CG TYR 63 . . F 3 44.355 53.374 9.706 1 13.93 ? CG TYR 63 B 1 +ATOM 3277 C CD1 TYR 63 . . F 3 44.484 52.121 9.111 1 15.08 ? CD1 TYR 63 B 1 +ATOM 3278 C CD2 TYR 63 . . F 3 45.236 54.372 9.312 1 7.17 ? CD2 TYR 63 B 1 +ATOM 3279 C CE1 TYR 63 . . F 3 45.481 51.858 8.141 1 13.67 ? CE1 TYR 63 B 1 +ATOM 3280 C CE2 TYR 63 . . F 3 46.24 54.119 8.34 1 17.99 ? CE2 TYR 63 B 1 +ATOM 3281 C CZ TYR 63 . . F 3 46.348 52.845 7.765 1 13.74 ? CZ TYR 63 B 1 +ATOM 3282 O OH TYR 63 . . F 3 47.312 52.533 6.845 1 15.67 ? OH TYR 63 B 1 +ATOM 3283 N N LEU 64 . . F 3 41.028 52.163 12.742 1 13.42 ? N LEU 64 B 1 +ATOM 3284 C CA LEU 64 . . F 3 40.173 52.321 13.871 1 6 ? CA LEU 64 B 1 +ATOM 3285 C C LEU 64 . . F 3 41.118 52.302 15.015 1 10.53 ? C LEU 64 B 1 +ATOM 3286 O O LEU 64 . . F 3 42.287 51.868 14.834 1 6 ? O LEU 64 B 1 +ATOM 3287 C CB LEU 64 . . F 3 39.209 51.173 13.889 1 6 ? CB LEU 64 B 1 +ATOM 3288 C CG LEU 64 . . F 3 37.769 51.605 13.688 1 9.4 ? CG LEU 64 B 1 +ATOM 3289 C CD1 LEU 64 . . F 3 37.715 52.775 12.673 1 8.66 ? CD1 LEU 64 B 1 +ATOM 3290 C CD2 LEU 64 . . F 3 36.961 50.387 13.297 1 11.27 ? CD2 LEU 64 B 1 +ATOM 3291 N N ASN 65 . . F 3 40.662 52.75 16.179 1 11.14 ? N ASN 65 B 1 +ATOM 3292 C CA ASN 65 . . F 3 41.557 52.792 17.334 1 12.99 ? CA ASN 65 B 1 +ATOM 3293 C C ASN 65 . . F 3 40.805 52.551 18.649 1 19.41 ? C ASN 65 B 1 +ATOM 3294 O O ASN 65 . . F 3 39.608 52.241 18.679 1 21.12 ? O ASN 65 B 1 +ATOM 3295 C CB ASN 65 . . F 3 42.266 54.163 17.454 1 18.04 ? CB ASN 65 B 1 +ATOM 3296 C CG ASN 65 . . F 3 43.116 54.564 16.218 1 14.22 ? CG ASN 65 B 1 +ATOM 3297 O OD1 ASN 65 . . F 3 43.085 55.713 15.797 1 23.86 ? OD1 ASN 65 B 1 +ATOM 3298 N ND2 ASN 65 . . F 3 43.876 53.642 15.667 1 26.92 ? ND2 ASN 65 B 1 +ATOM 3299 N N GLN 66 . . F 3 41.547 52.687 19.738 1 19.41 ? N GLN 66 B 1 +ATOM 3300 C CA GLN 66 . . F 3 41.035 52.575 21.099 1 15.88 ? CA GLN 66 B 1 +ATOM 3301 C C GLN 66 . . F 3 39.91 53.54 21.254 1 14.7 ? C GLN 66 B 1 +ATOM 3302 O O GLN 66 . . F 3 40.063 54.732 20.977 1 18.83 ? O GLN 66 B 1 +ATOM 3303 C CB GLN 66 . . F 3 42.127 52.923 22.105 1 29.78 ? CB GLN 66 B 1 +ATOM 3304 C CG GLN 66 . . F 3 41.669 53.195 23.527 1 40.62 ? CG GLN 66 B 1 +ATOM 3305 C CD GLN 66 . . F 3 42.748 53.916 24.339 1 43.47 ? CD GLN 66 B 1 +ATOM 3306 O OE1 GLN 66 . . F 3 42.45 54.856 25.083 1 42.58 ? OE1 GLN 66 B 1 +ATOM 3307 N NE2 GLN 66 . . F 3 44.004 53.494 24.185 1 42.99 ? NE2 GLN 66 B 1 +ATOM 3308 N N GLY 67 . . F 3 38.78 52.993 21.66 1 11.02 ? N GLY 67 B 1 +ATOM 3309 C CA GLY 67 . . F 3 37.603 53.792 21.904 1 14.29 ? CA GLY 67 B 1 +ATOM 3310 C C GLY 67 . . F 3 36.479 53.484 20.96 1 14.28 ? C GLY 67 B 1 +ATOM 3311 O O GLY 67 . . F 3 35.299 53.633 21.313 1 10.03 ? O GLY 67 B 1 +ATOM 3312 N N ASP 68 . . F 3 36.848 53.059 19.756 1 21.48 ? N ASP 68 B 1 +ATOM 3313 C CA ASP 68 . . F 3 35.883 52.767 18.697 1 19.79 ? CA ASP 68 B 1 +ATOM 3314 C C ASP 68 . . F 3 35.264 51.395 18.795 1 16.57 ? C ASP 68 B 1 +ATOM 3315 O O ASP 68 . . F 3 35.892 50.481 19.265 1 21.37 ? O ASP 68 B 1 +ATOM 3316 C CB ASP 68 . . F 3 36.56 52.898 17.338 1 21.73 ? CB ASP 68 B 1 +ATOM 3317 C CG ASP 68 . . F 3 37.179 54.271 17.116 1 15.95 ? CG ASP 68 B 1 +ATOM 3318 O OD1 ASP 68 . . F 3 36.657 55.276 17.697 1 16.67 ? OD1 ASP 68 B 1 +ATOM 3319 O OD2 ASP 68 . . F 3 38.194 54.313 16.37 1 8.64 ? OD2 ASP 68 B 1 +ATOM 3320 N N PHE 69 . . F 3 34.006 51.279 18.392 1 18.99 ? N PHE 69 B 1 +ATOM 3321 C CA PHE 69 . . F 3 33.328 50.003 18.322 1 17.82 ? CA PHE 69 B 1 +ATOM 3322 C C PHE 69 . . F 3 33.67 49.31 17.016 1 14.78 ? C PHE 69 B 1 +ATOM 3323 O O PHE 69 . . F 3 34.076 49.972 16.079 1 19.91 ? O PHE 69 B 1 +ATOM 3324 C CB PHE 69 . . F 3 31.865 50.189 18.359 1 21.54 ? CB PHE 69 B 1 +ATOM 3325 C CG PHE 69 . . F 3 31.352 50.638 19.671 1 29.64 ? CG PHE 69 B 1 +ATOM 3326 C CD1 PHE 69 . . F 3 31.032 49.705 20.649 1 24.31 ? CD1 PHE 69 B 1 +ATOM 3327 C CD2 PHE 69 . . F 3 31.111 51.981 19.91 1 26.55 ? CD2 PHE 69 B 1 +ATOM 3328 C CE1 PHE 69 . . F 3 30.476 50.105 21.827 1 24.04 ? CE1 PHE 69 B 1 +ATOM 3329 C CE2 PHE 69 . . F 3 30.554 52.381 21.087 1 22.61 ? CE2 PHE 69 B 1 +ATOM 3330 C CZ PHE 69 . . F 3 30.237 51.439 22.042 1 27.87 ? CZ PHE 69 B 1 +ATOM 3331 N N ILE 70 . . F 3 33.499 47.992 16.947 1 19.16 ? N ILE 70 B 1 +ATOM 3332 C CA ILE 70 . . F 3 33.81 47.256 15.708 1 22.22 ? CA ILE 70 B 1 +ATOM 3333 C C ILE 70 . . F 3 32.724 46.253 15.325 1 17.94 ? C ILE 70 B 1 +ATOM 3334 O O ILE 70 . . F 3 32.239 45.547 16.16 1 18.74 ? O ILE 70 B 1 +ATOM 3335 C CB ILE 70 . . F 3 35.102 46.405 15.792 1 19.54 ? CB ILE 70 B 1 +ATOM 3336 C CG1 ILE 70 . . F 3 36.309 47.236 16.163 1 21.44 ? CG1 ILE 70 B 1 +ATOM 3337 C CG2 ILE 70 . . F 3 35.435 45.881 14.435 1 22.71 ? CG2 ILE 70 B 1 +ATOM 3338 C CD1 ILE 70 . . F 3 37.578 46.374 16.21 1 17.03 ? CD1 ILE 70 B 1 +ATOM 3339 N N GLY 71 . . F 3 32.335 46.173 14.069 1 15.7 ? N GLY 71 B 1 +ATOM 3340 C CA GLY 71 . . F 3 31.372 45.153 13.719 1 12.9 ? CA GLY 71 B 1 +ATOM 3341 C C GLY 71 . . F 3 29.995 45.481 14.195 1 15.55 ? C GLY 71 B 1 +ATOM 3342 O O GLY 71 . . F 3 29.247 44.609 14.638 1 9.66 ? O GLY 71 B 1 +ATOM 3343 N N GLU 72 . . F 3 29.643 46.753 14.061 1 13.06 ? N GLU 72 B 1 +ATOM 3344 C CA GLU 72 . . F 3 28.35 47.204 14.506 1 9.98 ? CA GLU 72 B 1 +ATOM 3345 C C GLU 72 . . F 3 27.288 47.121 13.467 1 6.3 ? C GLU 72 B 1 +ATOM 3346 O O GLU 72 . . F 3 26.118 47.115 13.811 1 16.7 ? O GLU 72 B 1 +ATOM 3347 C CB GLU 72 . . F 3 28.465 48.64 15.004 1 6.29 ? CB GLU 72 B 1 +ATOM 3348 C CG GLU 72 . . F 3 29.806 49.291 14.717 1 6 ? CG GLU 72 B 1 +ATOM 3349 C CD GLU 72 . . F 3 29.892 49.878 13.37 1 6 ? CD GLU 72 B 1 +ATOM 3350 O OE1 GLU 72 . . F 3 30.948 49.814 12.732 1 6.8 ? OE1 GLU 72 B 1 +ATOM 3351 O OE2 GLU 72 . . F 3 28.878 50.44 12.944 1 14.92 ? OE2 GLU 72 B 1 +ATOM 3352 N N LEU 73 . . F 3 27.671 47.043 12.199 1 8.8 ? N LEU 73 B 1 +ATOM 3353 C CA LEU 73 . . F 3 26.651 47.057 11.138 1 16.62 ? CA LEU 73 B 1 +ATOM 3354 C C LEU 73 . . F 3 25.834 45.782 11.069 1 17.15 ? C LEU 73 B 1 +ATOM 3355 O O LEU 73 . . F 3 24.689 45.783 10.573 1 25.19 ? O LEU 73 B 1 +ATOM 3356 C CB LEU 73 . . F 3 27.292 47.302 9.757 1 14.65 ? CB LEU 73 B 1 +ATOM 3357 C CG LEU 73 . . F 3 28.151 48.538 9.421 1 7.34 ? CG LEU 73 B 1 +ATOM 3358 C CD1 LEU 73 . . F 3 27.485 49.81 9.909 1 6 ? CD1 LEU 73 B 1 +ATOM 3359 C CD2 LEU 73 . . F 3 29.473 48.393 10.076 1 13.59 ? CD2 LEU 73 B 1 +ATOM 3360 N N GLY 74 . . F 3 26.418 44.701 11.577 1 16.35 ? N GLY 74 B 1 +ATOM 3361 C CA GLY 74 . . F 3 25.738 43.418 11.601 1 10.26 ? CA GLY 74 B 1 +ATOM 3362 C C GLY 74 . . F 3 24.648 43.451 12.624 1 11.49 ? C GLY 74 B 1 +ATOM 3363 O O GLY 74 . . F 3 23.621 42.826 12.444 1 17.33 ? O GLY 74 B 1 +ATOM 3364 N N LEU 75 . . F 3 24.875 44.229 13.674 1 14.11 ? N LEU 75 B 1 +ATOM 3365 C CA LEU 75 . . F 3 23.956 44.353 14.793 1 17.74 ? CA LEU 75 B 1 +ATOM 3366 C C LEU 75 . . F 3 22.532 44.743 14.481 1 17.87 ? C LEU 75 B 1 +ATOM 3367 O O LEU 75 . . F 3 21.652 44.306 15.211 1 16.33 ? O LEU 75 B 1 +ATOM 3368 C CB LEU 75 . . F 3 24.467 45.374 15.804 1 21.9 ? CB LEU 75 B 1 +ATOM 3369 C CG LEU 75 . . F 3 23.364 45.873 16.76 1 27.58 ? CG LEU 75 B 1 +ATOM 3370 C CD1 LEU 75 . . F 3 23.023 44.804 17.822 1 30.23 ? CD1 LEU 75 B 1 +ATOM 3371 C CD2 LEU 75 . . F 3 23.851 47.115 17.446 1 24.21 ? CD2 LEU 75 B 1 +ATOM 3372 N N PHE 76 . . F 3 22.272 45.521 13.427 1 23.44 ? N PHE 76 B 1 +ATOM 3373 C CA PHE 76 . . F 3 20.908 46.065 13.23 1 26.31 ? CA PHE 76 B 1 +ATOM 3374 C C PHE 76 . . F 3 19.887 45.271 12.385 1 29.24 ? C PHE 76 B 1 +ATOM 3375 O O PHE 76 . . F 3 18.776 45.758 12.248 1 20.81 ? O PHE 76 B 1 +ATOM 3376 C CB PHE 76 . . F 3 21.059 47.504 12.686 1 18.51 ? CB PHE 76 B 1 +ATOM 3377 C CG PHE 76 . . F 3 21.648 48.459 13.718 1 14.62 ? CG PHE 76 B 1 +ATOM 3378 C CD1 PHE 76 . . F 3 20.827 49.156 14.593 1 20.69 ? CD1 PHE 76 B 1 +ATOM 3379 C CD2 PHE 76 . . F 3 23.022 48.612 13.871 1 17.96 ? CD2 PHE 76 B 1 +ATOM 3380 C CE1 PHE 76 . . F 3 21.347 49.977 15.599 1 9.37 ? CE1 PHE 76 B 1 +ATOM 3381 C CE2 PHE 76 . . F 3 23.531 49.425 14.871 1 16.67 ? CE2 PHE 76 B 1 +ATOM 3382 C CZ PHE 76 . . F 3 22.685 50.103 15.732 1 15.64 ? CZ PHE 76 B 1 +ATOM 3383 N N GLU 77 . . F 3 20.173 44.074 11.868 1 36.81 ? N GLU 77 B 1 +ATOM 3384 C CA GLU 77 . . F 3 19.156 43.307 11.109 1 39.12 ? CA GLU 77 B 1 +ATOM 3385 C C GLU 77 . . F 3 19.249 41.774 11.235 1 44.95 ? C GLU 77 B 1 +ATOM 3386 O O GLU 77 . . F 3 18.221 41.088 11.202 1 45.76 ? O GLU 77 B 1 +ATOM 3387 C CB GLU 77 . . F 3 19.208 43.612 9.612 1 48.64 ? CB GLU 77 B 1 +ATOM 3388 C CG GLU 77 . . F 3 18.552 44.908 9.138 1 52.08 ? CG GLU 77 B 1 +ATOM 3389 C CD GLU 77 . . F 3 18.171 44.831 7.671 1 54.09 ? CD GLU 77 B 1 +ATOM 3390 O OE1 GLU 77 . . F 3 18.175 43.704 7.134 1 51.05 ? OE1 GLU 77 B 1 +ATOM 3391 O OE2 GLU 77 . . F 3 17.857 45.877 7.054 1 55 ? OE2 GLU 77 B 1 +ATOM 3392 N N GLU 78 . . F 3 20.466 41.241 11.354 1 50.83 ? N GLU 78 B 1 +ATOM 3393 C CA GLU 78 . . F 3 20.731 39.79 11.461 1 52.94 ? CA GLU 78 B 1 +ATOM 3394 C C GLU 78 . . F 3 20.285 38.94 10.262 1 51.17 ? C GLU 78 B 1 +ATOM 3395 O O GLU 78 . . F 3 19.262 39.167 9.591 1 50.16 ? O GLU 78 B 1 +ATOM 3396 C CB GLU 78 . . F 3 20.077 39.189 12.722 1 54.64 ? CB GLU 78 B 1 +ATOM 3397 C CG GLU 78 . . F 3 21.044 39.015 13.916 1 55 ? CG GLU 78 B 1 +ATOM 3398 C CD GLU 78 . . F 3 22.232 38.065 13.635 1 55 ? CD GLU 78 B 1 +ATOM 3399 O OE1 GLU 78 . . F 3 22.07 36.827 13.77 1 55 ? OE1 GLU 78 B 1 +ATOM 3400 O OE2 GLU 78 . . F 3 23.33 38.561 13.283 1 55 ? OE2 GLU 78 B 1 +ATOM 3401 N N GLY 79 . . F 3 21.1 37.907 10.074 1 45.38 ? N GLY 79 B 1 +ATOM 3402 C CA GLY 79 . . F 3 20.997 36.985 8.969 1 40.99 ? CA GLY 79 B 1 +ATOM 3403 C C GLY 79 . . F 3 22.317 37.202 8.265 1 42.94 ? C GLY 79 B 1 +ATOM 3404 O O GLY 79 . . F 3 23.042 36.249 7.951 1 49.32 ? O GLY 79 B 1 +ATOM 3405 N N GLN 80 . . F 3 22.63 38.501 8.117 1 37.62 ? N GLN 80 B 1 +ATOM 3406 C CA GLN 80 . . F 3 23.809 39.075 7.439 1 31.92 ? CA GLN 80 B 1 +ATOM 3407 C C GLN 80 . . F 3 25.23 38.745 7.967 1 30.12 ? C GLN 80 B 1 +ATOM 3408 O O GLN 80 . . F 3 25.429 38.091 9.007 1 32.62 ? O GLN 80 B 1 +ATOM 3409 C CB GLN 80 . . F 3 23.641 40.608 7.392 1 33.45 ? CB GLN 80 B 1 +ATOM 3410 C CG GLN 80 . . F 3 23.357 41.336 8.725 1 31.32 ? CG GLN 80 B 1 +ATOM 3411 C CD GLN 80 . . F 3 23.089 42.804 8.48 1 29.75 ? CD GLN 80 B 1 +ATOM 3412 O OE1 GLN 80 . . F 3 23.831 43.469 7.764 1 35.74 ? OE1 GLN 80 B 1 +ATOM 3413 N NE2 GLN 80 . . F 3 22.016 43.312 9.052 1 27.54 ? NE2 GLN 80 B 1 +ATOM 3414 N N GLU 81 . . F 3 26.213 39.25 7.217 1 24 ? N GLU 81 B 1 +ATOM 3415 C CA GLU 81 . . F 3 27.633 39.014 7.458 1 22.61 ? CA GLU 81 B 1 +ATOM 3416 C C GLU 81 . . F 3 28.568 40.252 7.533 1 21.19 ? C GLU 81 B 1 +ATOM 3417 O O GLU 81 . . F 3 28.246 41.355 7.136 1 27.65 ? O GLU 81 B 1 +ATOM 3418 C CB GLU 81 . . F 3 28.112 38.029 6.369 1 32.49 ? CB GLU 81 B 1 +ATOM 3419 C CG GLU 81 . . F 3 27.521 38.217 4.937 1 43.6 ? CG GLU 81 B 1 +ATOM 3420 C CD GLU 81 . . F 3 27.644 36.96 4.024 1 49.63 ? CD GLU 81 B 1 +ATOM 3421 O OE1 GLU 81 . . F 3 28.283 37.044 2.934 1 51.23 ? OE1 GLU 81 B 1 +ATOM 3422 O OE2 GLU 81 . . F 3 27.082 35.893 4.402 1 45.25 ? OE2 GLU 81 B 1 +ATOM 3423 N N ARG 82 . . F 3 29.741 40.036 8.098 1 18.77 ? N ARG 82 B 1 +ATOM 3424 C CA ARG 82 . . F 3 30.745 41.051 8.269 1 20.6 ? CA ARG 82 B 1 +ATOM 3425 C C ARG 82 . . F 3 30.862 41.707 6.932 1 20.92 ? C ARG 82 B 1 +ATOM 3426 O O ARG 82 . . F 3 31.053 41.004 5.944 1 27.79 ? O ARG 82 B 1 +ATOM 3427 C CB ARG 82 . . F 3 32.057 40.406 8.637 1 16.57 ? CB ARG 82 B 1 +ATOM 3428 C CG ARG 82 . . F 3 31.906 39.311 9.68 1 23.83 ? CG ARG 82 B 1 +ATOM 3429 C CD ARG 82 . . F 3 31.89 39.738 11.121 1 22.31 ? CD ARG 82 B 1 +ATOM 3430 N NE ARG 82 . . F 3 30.875 40.691 11.544 1 17.44 ? NE ARG 82 B 1 +ATOM 3431 C CZ ARG 82 . . F 3 30.657 40.952 12.833 1 21.56 ? CZ ARG 82 B 1 +ATOM 3432 N NH1 ARG 82 . . F 3 31.364 40.336 13.788 1 21.77 ? NH1 ARG 82 B 1 +ATOM 3433 N NH2 ARG 82 . . F 3 29.746 41.829 13.185 1 9.9 ? NH2 ARG 82 B 1 +ATOM 3434 N N SER 83 . . F 3 30.751 43.033 6.9 1 29.02 ? N SER 83 B 1 +ATOM 3435 C CA SER 83 . . F 3 30.806 43.834 5.654 1 19.08 ? CA SER 83 B 1 +ATOM 3436 C C SER 83 . . F 3 32.229 44.037 5.112 1 12.88 ? C SER 83 B 1 +ATOM 3437 O O SER 83 . . F 3 32.389 44.177 3.899 1 6 ? O SER 83 B 1 +ATOM 3438 C CB SER 83 . . F 3 30.191 45.242 5.871 1 6 ? CB SER 83 B 1 +ATOM 3439 O OG SER 83 . . F 3 31.173 46.099 6.454 1 6.95 ? OG SER 83 B 1 +ATOM 3440 N N ALA 84 . . F 3 33.231 44.059 6.001 1 6.77 ? N ALA 84 B 1 +ATOM 3441 C CA ALA 84 . . F 3 34.635 44.348 5.639 1 6 ? CA ALA 84 B 1 +ATOM 3442 C C ALA 84 . . F 3 35.613 43.398 6.27 1 6 ? C ALA 84 B 1 +ATOM 3443 O O ALA 84 . . F 3 35.26 42.407 6.8 1 7.62 ? O ALA 84 B 1 +ATOM 3444 C CB ALA 84 . . F 3 34.998 45.77 6.074 1 7.89 ? CB ALA 84 B 1 +ATOM 3445 N N TRP 85 . . F 3 36.876 43.705 6.195 1 6 ? N TRP 85 B 1 +ATOM 3446 C CA TRP 85 . . F 3 37.862 42.896 6.861 1 6 ? CA TRP 85 B 1 +ATOM 3447 C C TRP 85 . . F 3 38.463 43.731 8.02 1 10.46 ? C TRP 85 B 1 +ATOM 3448 O O TRP 85 . . F 3 38.644 44.935 7.87 1 23.59 ? O TRP 85 B 1 +ATOM 3449 C CB TRP 85 . . F 3 38.928 42.554 5.895 1 7.07 ? CB TRP 85 B 1 +ATOM 3450 C CG TRP 85 . . F 3 39.386 41.157 5.945 1 24.14 ? CG TRP 85 B 1 +ATOM 3451 C CD1 TRP 85 . . F 3 40.187 40.593 6.875 1 32.33 ? CD1 TRP 85 B 1 +ATOM 3452 C CD2 TRP 85 . . F 3 39.087 40.142 4.986 1 29.73 ? CD2 TRP 85 B 1 +ATOM 3453 N NE1 TRP 85 . . F 3 40.418 39.269 6.565 1 33.73 ? NE1 TRP 85 B 1 +ATOM 3454 C CE2 TRP 85 . . F 3 39.747 38.963 5.412 1 37.12 ? CE2 TRP 85 B 1 +ATOM 3455 C CE3 TRP 85 . . F 3 38.32 40.114 3.814 1 24.54 ? CE3 TRP 85 B 1 +ATOM 3456 C CZ2 TRP 85 . . F 3 39.671 37.761 4.704 1 37.7 ? CZ2 TRP 85 B 1 +ATOM 3457 C CZ3 TRP 85 . . F 3 38.236 38.939 3.116 1 34.03 ? CZ3 TRP 85 B 1 +ATOM 3458 C CH2 TRP 85 . . F 3 38.914 37.769 3.561 1 36.54 ? CH2 TRP 85 B 1 +ATOM 3459 N N VAL 86 . . F 3 38.77 43.133 9.171 1 16.12 ? N VAL 86 B 1 +ATOM 3460 C CA VAL 86 . . F 3 39.413 43.898 10.244 1 12.63 ? CA VAL 86 B 1 +ATOM 3461 C C VAL 86 . . F 3 40.687 43.177 10.754 1 14.66 ? C VAL 86 B 1 +ATOM 3462 O O VAL 86 . . F 3 40.55 42.22 11.482 1 17.35 ? O VAL 86 B 1 +ATOM 3463 C CB VAL 86 . . F 3 38.485 44.08 11.462 1 7.66 ? CB VAL 86 B 1 +ATOM 3464 C CG1 VAL 86 . . F 3 39.137 45.006 12.419 1 6 ? CG1 VAL 86 B 1 +ATOM 3465 C CG2 VAL 86 . . F 3 37.178 44.615 11.065 1 6 ? CG2 VAL 86 B 1 +ATOM 3466 N N ARG 87 . . F 3 41.887 43.616 10.364 1 6.92 ? N ARG 87 B 1 +ATOM 3467 C CA ARG 87 . . F 3 43.162 43.049 10.788 1 6 ? CA ARG 87 B 1 +ATOM 3468 C C ARG 87 . . F 3 43.72 43.908 11.893 1 17.11 ? C ARG 87 B 1 +ATOM 3469 O O ARG 87 . . F 3 43.38 45.089 12.018 1 33.23 ? O ARG 87 B 1 +ATOM 3470 C CB ARG 87 . . F 3 44.243 43.046 9.714 1 16.01 ? CB ARG 87 B 1 +ATOM 3471 C CG ARG 87 . . F 3 43.895 42.297 8.455 1 37.49 ? CG ARG 87 B 1 +ATOM 3472 C CD ARG 87 . . F 3 45.08 42.197 7.48 1 49.03 ? CD ARG 87 B 1 +ATOM 3473 N NE ARG 87 . . F 3 44.744 41.681 6.136 1 55 ? NE ARG 87 B 1 +ATOM 3474 C CZ ARG 87 . . F 3 43.799 40.784 5.827 1 50.58 ? CZ ARG 87 B 1 +ATOM 3475 N NH1 ARG 87 . . F 3 43.028 40.251 6.777 1 42.5 ? NH1 ARG 87 B 1 +ATOM 3476 N NH2 ARG 87 . . F 3 43.641 40.41 4.547 1 43.58 ? NH2 ARG 87 B 1 +ATOM 3477 N N ALA 88 . . F 3 44.626 43.316 12.666 1 26.11 ? N ALA 88 B 1 +ATOM 3478 C CA ALA 88 . . F 3 45.247 43.954 13.798 1 20.18 ? CA ALA 88 B 1 +ATOM 3479 C C ALA 88 . . F 3 46.468 44.676 13.343 1 16.68 ? C ALA 88 B 1 +ATOM 3480 O O ALA 88 . . F 3 47.427 44.031 12.974 1 9.84 ? O ALA 88 B 1 +ATOM 3481 C CB ALA 88 . . F 3 45.604 42.906 14.804 1 12.5 ? CB ALA 88 B 1 +ATOM 3482 N N LYS 89 . . F 3 46.452 46.003 13.357 1 16.04 ? N LYS 89 B 1 +ATOM 3483 C CA LYS 89 . . F 3 47.628 46.791 12.938 1 17.4 ? CA LYS 89 B 1 +ATOM 3484 C C LYS 89 . . F 3 48.736 46.569 13.968 1 20.68 ? C LYS 89 B 1 +ATOM 3485 O O LYS 89 . . F 3 49.912 46.681 13.658 1 28.02 ? O LYS 89 B 1 +ATOM 3486 C CB LYS 89 . . F 3 47.282 48.291 12.88 1 20.11 ? CB LYS 89 B 1 +ATOM 3487 C CG LYS 89 . . F 3 47.987 49.149 11.791 1 21.48 ? CG LYS 89 B 1 +ATOM 3488 C CD LYS 89 . . F 3 47.782 50.655 12.018 1 13.64 ? CD LYS 89 B 1 +ATOM 3489 C CE LYS 89 . . F 3 46.44 50.993 12.682 1 21.46 ? CE LYS 89 B 1 +ATOM 3490 N NZ LYS 89 . . F 3 45.174 50.561 12.029 1 19.98 ? NZ LYS 89 B 1 +ATOM 3491 N N THR 90 . . F 3 48.322 46.262 15.198 1 29.6 ? N THR 90 B 1 +ATOM 3492 C CA THR 90 . . F 3 49.186 45.987 16.366 1 30.38 ? CA THR 90 B 1 +ATOM 3493 C C THR 90 . . F 3 48.403 45.244 17.506 1 30.23 ? C THR 90 B 1 +ATOM 3494 O O THR 90 . . F 3 47.251 44.791 17.308 1 28.51 ? O THR 90 B 1 +ATOM 3495 C CB THR 90 . . F 3 49.77 47.326 16.928 1 35.36 ? CB THR 90 B 1 +ATOM 3496 O OG1 THR 90 . . F 3 48.716 48.292 17.067 1 33.67 ? OG1 THR 90 B 1 +ATOM 3497 C CG2 THR 90 . . F 3 50.849 47.885 15.99 1 37.99 ? CG2 THR 90 B 1 +ATOM 3498 N N ALA 91 . . F 3 49.003 45.109 18.689 1 19.33 ? N ALA 91 B 1 +ATOM 3499 C CA ALA 91 . . F 3 48.317 44.408 19.764 1 12.4 ? CA ALA 91 B 1 +ATOM 3500 C C ALA 91 . . F 3 47.097 45.133 20.262 1 13.58 ? C ALA 91 B 1 +ATOM 3501 O O ALA 91 . . F 3 47.061 46.351 20.409 1 20.36 ? O ALA 91 B 1 +ATOM 3502 C CB ALA 91 . . F 3 49.257 44.185 20.909 1 22.11 ? CB ALA 91 B 1 +ATOM 3503 N N CYS 92 . . F 3 46.109 44.341 20.632 1 15.53 ? N CYS 92 B 1 +ATOM 3504 C CA CYS 92 . . F 3 44.858 44.917 21.019 1 17.95 ? CA CYS 92 B 1 +ATOM 3505 C C CYS 92 . . F 3 44.111 44.123 22.055 1 23.53 ? C CYS 92 B 1 +ATOM 3506 O O CYS 92 . . F 3 44.165 42.919 22.105 1 26.59 ? O CYS 92 B 1 +ATOM 3507 C CB CYS 92 . . F 3 43.913 45.049 19.806 1 24.64 ? CB CYS 92 B 1 +ATOM 3508 S SG CYS 92 . . F 3 44.491 45.838 18.27 1 30.34 ? SG CYS 92 B 1 +ATOM 3509 N N GLU 93 . . F 3 43.4 44.823 22.902 1 22.27 ? N GLU 93 B 1 +ATOM 3510 C CA GLU 93 . . F 3 42.52 44.157 23.799 1 24.3 ? CA GLU 93 B 1 +ATOM 3511 C C GLU 93 . . F 3 41.149 44.479 23.416 1 23.89 ? C GLU 93 B 1 +ATOM 3512 O O GLU 93 . . F 3 40.797 45.641 23.353 1 23.65 ? O GLU 93 B 1 +ATOM 3513 C CB GLU 93 . . F 3 42.816 44.56 25.282 1 35.19 ? CB GLU 93 B 1 +ATOM 3514 C CG GLU 93 . . F 3 43.674 43.553 26.126 1 27.78 ? CG GLU 93 B 1 +ATOM 3515 C CD GLU 93 . . F 3 44.121 44.067 27.531 1 39.91 ? CD GLU 93 B 1 +ATOM 3516 O OE1 GLU 93 . . F 3 45.333 44.38 27.696 1 33.18 ? OE1 GLU 93 B 1 +ATOM 3517 O OE2 GLU 93 . . F 3 43.273 44.161 28.461 1 40.19 ? OE2 GLU 93 B 1 +ATOM 3518 N N VAL 94 . . F 3 40.409 43.438 23.128 1 20.98 ? N VAL 94 B 1 +ATOM 3519 C CA VAL 94 . . F 3 39.14 43.615 22.515 1 21.41 ? CA VAL 94 B 1 +ATOM 3520 C C VAL 94 . . F 3 38.048 43.008 23.314 1 22.8 ? C VAL 94 B 1 +ATOM 3521 O O VAL 94 . . F 3 37.997 41.784 23.484 1 22.76 ? O VAL 94 B 1 +ATOM 3522 C CB VAL 94 . . F 3 39.199 42.997 21.107 1 15.89 ? CB VAL 94 B 1 +ATOM 3523 C CG1 VAL 94 . . F 3 37.97 43.353 20.344 1 18.97 ? CG1 VAL 94 B 1 +ATOM 3524 C CG2 VAL 94 . . F 3 40.448 43.49 20.4 1 15.61 ? CG2 VAL 94 B 1 +ATOM 3525 N N ALA 95 . . F 3 37.167 43.864 23.809 1 18.25 ? N ALA 95 B 1 +ATOM 3526 C CA ALA 95 . . F 3 36.067 43.364 24.597 1 18.99 ? CA ALA 95 B 1 +ATOM 3527 C C ALA 95 . . F 3 35.115 42.864 23.56 1 17.66 ? C ALA 95 B 1 +ATOM 3528 O O ALA 95 . . F 3 34.971 43.573 22.567 1 8.82 ? O ALA 95 B 1 +ATOM 3529 C CB ALA 95 . . F 3 35.441 44.497 25.437 1 21.84 ? CB ALA 95 B 1 +ATOM 3530 N N GLU 96 . . F 3 34.514 41.679 23.789 1 13.83 ? N GLU 96 B 1 +ATOM 3531 C CA GLU 96 . . F 3 33.592 41.03 22.862 1 11.93 ? CA GLU 96 B 1 +ATOM 3532 C C GLU 96 . . F 3 32.34 40.664 23.612 1 14.51 ? C GLU 96 B 1 +ATOM 3533 O O GLU 96 . . F 3 32.428 40.087 24.683 1 32.79 ? O GLU 96 B 1 +ATOM 3534 C CB GLU 96 . . F 3 34.254 39.766 22.265 1 20.4 ? CB GLU 96 B 1 +ATOM 3535 C CG GLU 96 . . F 3 33.574 39.273 20.935 1 28.95 ? CG GLU 96 B 1 +ATOM 3536 C CD GLU 96 . . F 3 34.422 38.319 20.052 1 35.8 ? CD GLU 96 B 1 +ATOM 3537 O OE1 GLU 96 . . F 3 35.673 38.24 20.153 1 26.69 ? OE1 GLU 96 B 1 +ATOM 3538 O OE2 GLU 96 . . F 3 33.818 37.634 19.215 1 40.51 ? OE2 GLU 96 B 1 +ATOM 3539 N N ILE 97 . . F 3 31.188 41.012 23.039 1 27.77 ? N ILE 97 B 1 +ATOM 3540 C CA ILE 97 . . F 3 29.834 40.816 23.603 1 25.08 ? CA ILE 97 B 1 +ATOM 3541 C C ILE 97 . . F 3 29.009 40.262 22.458 1 30.78 ? C ILE 97 B 1 +ATOM 3542 O O ILE 97 . . F 3 29.191 40.726 21.325 1 31.49 ? O ILE 97 B 1 +ATOM 3543 C CB ILE 97 . . F 3 29.055 42.101 23.952 1 21.23 ? CB ILE 97 B 1 +ATOM 3544 C CG1 ILE 97 . . F 3 30.038 43.172 24.341 1 26.71 ? CG1 ILE 97 B 1 +ATOM 3545 C CG2 ILE 97 . . F 3 28.044 41.845 25.067 1 11.21 ? CG2 ILE 97 B 1 +ATOM 3546 C CD1 ILE 97 . . F 3 29.385 44.524 24.558 1 35.75 ? CD1 ILE 97 B 1 +ATOM 3547 N N SER 98 . . F 3 28.094 39.328 22.711 1 26.24 ? N SER 98 B 1 +ATOM 3548 C CA SER 98 . . F 3 27.29 38.872 21.596 1 21.67 ? CA SER 98 B 1 +ATOM 3549 C C SER 98 . . F 3 26.376 40.022 21.281 1 25.28 ? C SER 98 B 1 +ATOM 3550 O O SER 98 . . F 3 26.097 40.903 22.118 1 21.48 ? O SER 98 B 1 +ATOM 3551 C CB SER 98 . . F 3 26.394 37.638 21.928 1 22.74 ? CB SER 98 B 1 +ATOM 3552 O OG SER 98 . . F 3 25.116 37.952 22.5 1 14.02 ? OG SER 98 B 1 +ATOM 3553 N N TYR 99 . . F 3 25.888 40.018 20.065 1 34.58 ? N TYR 99 B 1 +ATOM 3554 C CA TYR 99 . . F 3 24.922 41.017 19.717 1 34.34 ? CA TYR 99 B 1 +ATOM 3555 C C TYR 99 . . F 3 23.836 40.998 20.792 1 36.42 ? C TYR 99 B 1 +ATOM 3556 O O TYR 99 . . F 3 23.6 42.001 21.489 1 22.23 ? O TYR 99 B 1 +ATOM 3557 C CB TYR 99 . . F 3 24.379 40.672 18.338 1 24.78 ? CB TYR 99 B 1 +ATOM 3558 C CG TYR 99 . . F 3 25.244 41.217 17.212 1 24.92 ? CG TYR 99 B 1 +ATOM 3559 C CD1 TYR 99 . . F 3 26.309 42.092 17.472 1 22.72 ? CD1 TYR 99 B 1 +ATOM 3560 C CD2 TYR 99 . . F 3 24.941 40.932 15.89 1 17.99 ? CD2 TYR 99 B 1 +ATOM 3561 C CE1 TYR 99 . . F 3 27.018 42.66 16.435 1 20.29 ? CE1 TYR 99 B 1 +ATOM 3562 C CE2 TYR 99 . . F 3 25.648 41.5 14.863 1 19.77 ? CE2 TYR 99 B 1 +ATOM 3563 C CZ TYR 99 . . F 3 26.68 42.368 15.136 1 17.87 ? CZ TYR 99 B 1 +ATOM 3564 O OH TYR 99 . . F 3 27.328 42.983 14.086 1 17.59 ? OH TYR 99 B 1 +ATOM 3565 N N LYS 100 . . F 3 23.298 39.789 20.971 1 41.39 ? N LYS 100 B 1 +ATOM 3566 C CA LYS 100 . . F 3 22.216 39.479 21.898 1 45.09 ? CA LYS 100 B 1 +ATOM 3567 C C LYS 100 . . F 3 22.383 40.037 23.298 1 45.22 ? C LYS 100 B 1 +ATOM 3568 O O LYS 100 . . F 3 21.424 40.633 23.821 1 45.43 ? O LYS 100 B 1 +ATOM 3569 C CB LYS 100 . . F 3 22.038 37.963 21.978 1 52.1 ? CB LYS 100 B 1 +ATOM 3570 C CG LYS 100 . . F 3 21.205 37.41 20.826 1 55 ? CG LYS 100 B 1 +ATOM 3571 C CD LYS 100 . . F 3 21.606 35.999 20.449 1 46.03 ? CD LYS 100 B 1 +ATOM 3572 C CE LYS 100 . . F 3 23.085 36.019 20.072 1 55 ? CE LYS 100 B 1 +ATOM 3573 N NZ LYS 100 . . F 3 23.471 37.245 19.279 1 43.44 ? NZ LYS 100 B 1 +ATOM 3574 N N LYS 101 . . F 3 23.517 39.878 23.97 1 38.98 ? N LYS 101 B 1 +ATOM 3575 C CA LYS 101 . . F 3 23.527 40.494 25.269 1 43.3 ? CA LYS 101 B 1 +ATOM 3576 C C LYS 101 . . F 3 23.475 42.005 25.053 1 43.04 ? C LYS 101 B 1 +ATOM 3577 O O LYS 101 . . F 3 22.738 42.702 25.76 1 39.45 ? O LYS 101 B 1 +ATOM 3578 C CB LYS 101 . . F 3 24.778 40.128 26.076 1 47.21 ? CB LYS 101 B 1 +ATOM 3579 C CG LYS 101 . . F 3 24.42 39.34 27.371 1 49.39 ? CG LYS 101 B 1 +ATOM 3580 C CD LYS 101 . . F 3 23.393 40.084 28.264 1 55 ? CD LYS 101 B 1 +ATOM 3581 C CE LYS 101 . . F 3 22.842 39.294 29.487 1 47.16 ? CE LYS 101 B 1 +ATOM 3582 N NZ LYS 101 . . F 3 23.739 39.142 30.656 1 42.69 ? NZ LYS 101 B 1 +ATOM 3583 N N PHE 102 . . F 3 24.178 42.516 24.041 1 41.4 ? N PHE 102 B 1 +ATOM 3584 C CA PHE 102 . . F 3 24.165 43.961 23.816 1 37.49 ? CA PHE 102 B 1 +ATOM 3585 C C PHE 102 . . F 3 22.785 44.494 23.454 1 35.61 ? C PHE 102 B 1 +ATOM 3586 O O PHE 102 . . F 3 22.362 45.545 23.975 1 45.48 ? O PHE 102 B 1 +ATOM 3587 C CB PHE 102 . . F 3 25.098 44.356 22.707 1 33.29 ? CB PHE 102 B 1 +ATOM 3588 C CG PHE 102 . . F 3 25.442 45.812 22.725 1 34.45 ? CG PHE 102 B 1 +ATOM 3589 C CD1 PHE 102 . . F 3 26.388 46.3 23.636 1 37 ? CD1 PHE 102 B 1 +ATOM 3590 C CD2 PHE 102 . . F 3 24.856 46.7 21.824 1 30.26 ? CD2 PHE 102 B 1 +ATOM 3591 C CE1 PHE 102 . . F 3 26.752 47.666 23.641 1 30.37 ? CE1 PHE 102 B 1 +ATOM 3592 C CE2 PHE 102 . . F 3 25.214 48.058 21.822 1 28.37 ? CE2 PHE 102 B 1 +ATOM 3593 C CZ PHE 102 . . F 3 26.163 48.533 22.731 1 33.87 ? CZ PHE 102 B 1 +ATOM 3594 N N ARG 103 . . F 3 22.067 43.792 22.59 1 28.86 ? N ARG 103 B 1 +ATOM 3595 C CA ARG 103 . . F 3 20.728 44.225 22.227 1 29.67 ? CA ARG 103 B 1 +ATOM 3596 C C ARG 103 . . F 3 19.947 44.491 23.519 1 32.28 ? C ARG 103 B 1 +ATOM 3597 O O ARG 103 . . F 3 19.036 45.314 23.56 1 37.56 ? O ARG 103 B 1 +ATOM 3598 C CB ARG 103 . . F 3 20.048 43.129 21.405 1 39.46 ? CB ARG 103 B 1 +ATOM 3599 C CG ARG 103 . . F 3 18.956 43.61 20.426 1 43.95 ? CG ARG 103 B 1 +ATOM 3600 C CD ARG 103 . . F 3 18.323 42.44 19.636 1 39.97 ? CD ARG 103 B 1 +ATOM 3601 N NE ARG 103 . . F 3 19.28 41.52 19.018 1 31.23 ? NE ARG 103 B 1 +ATOM 3602 C CZ ARG 103 . . F 3 20.363 41.891 18.344 1 39.74 ? CZ ARG 103 B 1 +ATOM 3603 N NH1 ARG 103 . . F 3 20.653 43.172 18.186 1 41.47 ? NH1 ARG 103 B 1 +ATOM 3604 N NH2 ARG 103 . . F 3 21.161 40.977 17.818 1 40.06 ? NH2 ARG 103 B 1 +ATOM 3605 N N GLN 104 . . F 3 20.319 43.766 24.571 1 36.68 ? N GLN 104 B 1 +ATOM 3606 C CA GLN 104 . . F 3 19.729 43.908 25.893 1 36.85 ? CA GLN 104 B 1 +ATOM 3607 C C GLN 104 . . F 3 20.252 45.12 26.663 1 35.07 ? C GLN 104 B 1 +ATOM 3608 O O GLN 104 . . F 3 19.432 45.907 27.118 1 43.7 ? O GLN 104 B 1 +ATOM 3609 C CB GLN 104 . . F 3 19.995 42.667 26.764 1 45.84 ? CB GLN 104 B 1 +ATOM 3610 C CG GLN 104 . . F 3 19.316 41.355 26.35 1 50.71 ? CG GLN 104 B 1 +ATOM 3611 C CD GLN 104 . . F 3 19.618 40.226 27.322 1 45.87 ? CD GLN 104 B 1 +ATOM 3612 O OE1 GLN 104 . . F 3 20.11 40.452 28.428 1 49.19 ? OE1 GLN 104 B 1 +ATOM 3613 N NE2 GLN 104 . . F 3 19.331 39.005 26.91 1 45.34 ? NE2 GLN 104 B 1 +ATOM 3614 N N LEU 105 . . F 3 21.579 45.271 26.824 1 21.55 ? N LEU 105 B 1 +ATOM 3615 C CA LEU 105 . . F 3 22.144 46.383 27.587 1 14.59 ? CA LEU 105 B 1 +ATOM 3616 C C LEU 105 . . F 3 21.6 47.704 27.146 1 22.7 ? C LEU 105 B 1 +ATOM 3617 O O LEU 105 . . F 3 21.64 48.661 27.937 1 28.95 ? O LEU 105 B 1 +ATOM 3618 C CB LEU 105 . . F 3 23.653 46.479 27.457 1 19 ? CB LEU 105 B 1 +ATOM 3619 C CG LEU 105 . . F 3 24.525 45.496 28.237 1 36.59 ? CG LEU 105 B 1 +ATOM 3620 C CD1 LEU 105 . . F 3 24.304 44.076 27.746 1 35.92 ? CD1 LEU 105 B 1 +ATOM 3621 C CD2 LEU 105 . . F 3 25.997 45.893 28.046 1 39.67 ? CD2 LEU 105 B 1 +ATOM 3622 N N ILE 106 . . F 3 21.144 47.777 25.889 1 22.99 ? N ILE 106 B 1 +ATOM 3623 C CA ILE 106 . . F 3 20.51 48.992 25.342 1 24.41 ? CA ILE 106 B 1 +ATOM 3624 C C ILE 106 . . F 3 19.124 49.295 25.961 1 27.47 ? C ILE 106 B 1 +ATOM 3625 O O ILE 106 . . F 3 18.757 50.464 26.118 1 32.6 ? O ILE 106 B 1 +ATOM 3626 C CB ILE 106 . . F 3 20.402 48.84 23.792 1 33.4 ? CB ILE 106 B 1 +ATOM 3627 C CG1 ILE 106 . . F 3 21.645 49.494 23.169 1 26.21 ? CG1 ILE 106 B 1 +ATOM 3628 C CG2 ILE 106 . . F 3 19.084 49.41 23.283 1 27.21 ? CG2 ILE 106 B 1 +ATOM 3629 C CD1 ILE 106 . . F 3 21.859 49.167 21.723 1 25.88 ? CD1 ILE 106 B 1 +ATOM 3630 N N GLN 107 . . F 3 18.363 48.25 26.292 1 36.21 ? N GLN 107 B 1 +ATOM 3631 C CA GLN 107 . . F 3 17.03 48.326 26.947 1 39.5 ? CA GLN 107 B 1 +ATOM 3632 C C GLN 107 . . F 3 17.081 48.867 28.391 1 43.18 ? C GLN 107 B 1 +ATOM 3633 O O GLN 107 . . F 3 16.069 49.346 28.912 1 45.64 ? O GLN 107 B 1 +ATOM 3634 C CB GLN 107 . . F 3 16.393 46.95 27.015 1 36.51 ? CB GLN 107 B 1 +ATOM 3635 C CG GLN 107 . . F 3 16.034 46.394 25.701 1 43.78 ? CG GLN 107 B 1 +ATOM 3636 C CD GLN 107 . . F 3 14.899 47.152 25.144 1 49.1 ? CD GLN 107 B 1 +ATOM 3637 O OE1 GLN 107 . . F 3 14.085 47.705 25.894 1 55 ? OE1 GLN 107 B 1 +ATOM 3638 N NE2 GLN 107 . . F 3 14.819 47.205 23.826 1 52.69 ? NE2 GLN 107 B 1 +ATOM 3639 N N VAL 108 . . F 3 18.239 48.686 29.035 1 45.91 ? N VAL 108 B 1 +ATOM 3640 C CA VAL 108 . . F 3 18.577 49.115 30.401 1 46.45 ? CA VAL 108 B 1 +ATOM 3641 C C VAL 108 . . F 3 19.06 50.571 30.411 1 50.06 ? C VAL 108 B 1 +ATOM 3642 O O VAL 108 . . F 3 18.607 51.412 31.205 1 45.24 ? O VAL 108 B 1 +ATOM 3643 C CB VAL 108 . . F 3 19.693 48.194 30.968 1 48.78 ? CB VAL 108 B 1 +ATOM 3644 C CG1 VAL 108 . . F 3 20.397 48.868 32.132 1 49.98 ? CG1 VAL 108 B 1 +ATOM 3645 C CG2 VAL 108 . . F 3 19.072 46.866 31.399 1 51.07 ? CG2 VAL 108 B 1 +ATOM 3646 N N ASN 109 . . F 3 20.003 50.854 29.516 1 51.18 ? N ASN 109 B 1 +ATOM 3647 C CA ASN 109 . . F 3 20.571 52.186 29.392 1 49.47 ? CA ASN 109 B 1 +ATOM 3648 C C ASN 109 . . F 3 20.694 52.58 27.909 1 49.01 ? C ASN 109 B 1 +ATOM 3649 O O ASN 109 . . F 3 21.276 51.836 27.122 1 48.13 ? O ASN 109 B 1 +ATOM 3650 C CB ASN 109 . . F 3 21.939 52.195 30.066 1 42.66 ? CB ASN 109 B 1 +ATOM 3651 C CG ASN 109 . . F 3 22.599 53.558 30.019 1 45.82 ? CG ASN 109 B 1 +ATOM 3652 O OD1 ASN 109 . . F 3 23.819 53.67 29.919 1 43.9 ? OD1 ASN 109 B 1 +ATOM 3653 N ND2 ASN 109 . . F 3 21.794 54.607 30.097 1 37.43 ? ND2 ASN 109 B 1 +ATOM 3654 N N PRO 110 . . F 3 20.122 53.735 27.503 1 44.84 ? N PRO 110 B 1 +ATOM 3655 C CA PRO 110 . . F 3 20.15 54.196 26.114 1 44.29 ? CA PRO 110 B 1 +ATOM 3656 C C PRO 110 . . F 3 21.492 54.798 25.689 1 43.42 ? C PRO 110 B 1 +ATOM 3657 O O PRO 110 . . F 3 21.763 54.932 24.499 1 45.4 ? O PRO 110 B 1 +ATOM 3658 C CB PRO 110 . . F 3 18.997 55.19 26.047 1 44.19 ? CB PRO 110 B 1 +ATOM 3659 C CG PRO 110 . . F 3 18.143 54.789 27.174 1 44.57 ? CG PRO 110 B 1 +ATOM 3660 C CD PRO 110 . . F 3 19.197 54.61 28.232 1 44.7 ? CD PRO 110 B 1 +ATOM 3661 N N ASP 111 . . F 3 22.336 55.156 26.648 1 40.76 ? N ASP 111 B 1 +ATOM 3662 C CA ASP 111 . . F 3 23.606 55.808 26.337 1 35.04 ? CA ASP 111 B 1 +ATOM 3663 C C ASP 111 . . F 3 24.596 54.98 25.517 1 34.58 ? C ASP 111 B 1 +ATOM 3664 O O ASP 111 . . F 3 25.265 55.548 24.647 1 35.88 ? O ASP 111 B 1 +ATOM 3665 C CB ASP 111 . . F 3 24.286 56.232 27.622 1 31.26 ? CB ASP 111 B 1 +ATOM 3666 C CG ASP 111 . . F 3 25.304 57.279 27.39 1 27.36 ? CG ASP 111 B 1 +ATOM 3667 O OD1 ASP 111 . . F 3 24.898 58.459 27.399 1 30.57 ? OD1 ASP 111 B 1 +ATOM 3668 O OD2 ASP 111 . . F 3 26.49 56.929 27.196 1 34.17 ? OD2 ASP 111 B 1 +ATOM 3669 N N ILE 112 . . F 3 24.743 53.675 25.755 1 35.4 ? N ILE 112 B 1 +ATOM 3670 C CA ILE 112 . . F 3 25.715 52.98 24.913 1 31.11 ? CA ILE 112 B 1 +ATOM 3671 C C ILE 112 . . F 3 25.213 52.937 23.462 1 28.23 ? C ILE 112 B 1 +ATOM 3672 O O ILE 112 . . F 3 25.987 53.187 22.57 1 21.24 ? O ILE 112 B 1 +ATOM 3673 C CB ILE 112 . . F 3 26.015 51.495 25.352 1 18.78 ? CB ILE 112 B 1 +ATOM 3674 C CG1 ILE 112 . . F 3 25.611 51.203 26.785 1 16.34 ? CG1 ILE 112 B 1 +ATOM 3675 C CG2 ILE 112 . . F 3 27.53 51.316 25.428 1 12.73 ? CG2 ILE 112 B 1 +ATOM 3676 C CD1 ILE 112 . . F 3 24.152 50.99 26.965 1 29.32 ? CD1 ILE 112 B 1 +ATOM 3677 N N LEU 113 . . F 3 23.945 52.67 23.196 1 21.42 ? N LEU 113 B 1 +ATOM 3678 C CA LEU 113 . . F 3 23.496 52.7 21.79 1 35.44 ? CA LEU 113 B 1 +ATOM 3679 C C LEU 113 . . F 3 23.784 54.058 21.087 1 39.01 ? C LEU 113 B 1 +ATOM 3680 O O LEU 113 . . F 3 23.894 54.134 19.858 1 44.54 ? O LEU 113 B 1 +ATOM 3681 C CB LEU 113 . . F 3 21.989 52.451 21.676 1 38.71 ? CB LEU 113 B 1 +ATOM 3682 C CG LEU 113 . . F 3 21.427 52.726 20.27 1 37.54 ? CG LEU 113 B 1 +ATOM 3683 C CD1 LEU 113 . . F 3 22.001 51.741 19.23 1 36.43 ? CD1 LEU 113 B 1 +ATOM 3684 C CD2 LEU 113 . . F 3 19.912 52.617 20.358 1 43.65 ? CD2 LEU 113 B 1 +ATOM 3685 N N MET 114 . . F 3 23.839 55.14 21.851 1 45.57 ? N MET 114 B 1 +ATOM 3686 C CA MET 114 . . F 3 24.156 56.429 21.262 1 40.81 ? CA MET 114 B 1 +ATOM 3687 C C MET 114 . . F 3 25.621 56.408 20.972 1 39.44 ? C MET 114 B 1 +ATOM 3688 O O MET 114 . . F 3 26.039 56.667 19.842 1 46.2 ? O MET 114 B 1 +ATOM 3689 C CB MET 114 . . F 3 23.905 57.598 22.209 1 32.3 ? CB MET 114 B 1 +ATOM 3690 C CG MET 114 . . F 3 22.466 58.001 22.452 1 34.46 ? CG MET 114 B 1 +ATOM 3691 S SD MET 114 . . F 3 21.836 59.359 21.419 1 38.84 ? SD MET 114 B 1 +ATOM 3692 C CE MET 114 . . F 3 23.27 60.518 21.406 1 30.5 ? CE MET 114 B 1 +ATOM 3693 N N ARG 115 . . F 3 26.409 56.083 21.996 1 33.43 ? N ARG 115 B 1 +ATOM 3694 C CA ARG 115 . . F 3 27.864 56.08 21.82 1 35.32 ? CA ARG 115 B 1 +ATOM 3695 C C ARG 115 . . F 3 28.296 55.268 20.603 1 31 ? C ARG 115 B 1 +ATOM 3696 O O ARG 115 . . F 3 29.396 55.449 20.102 1 26.39 ? O ARG 115 B 1 +ATOM 3697 C CB ARG 115 . . F 3 28.544 55.532 23.073 1 37.53 ? CB ARG 115 B 1 +ATOM 3698 C CG ARG 115 . . F 3 28.287 56.438 24.238 1 34.45 ? CG ARG 115 B 1 +ATOM 3699 C CD ARG 115 . . F 3 29.291 56.17 25.323 1 42.05 ? CD ARG 115 B 1 +ATOM 3700 N NE ARG 115 . . F 3 29.15 57.092 26.448 1 39.24 ? NE ARG 115 B 1 +ATOM 3701 C CZ ARG 115 . . F 3 30.17 57.471 27.199 1 37.47 ? CZ ARG 115 B 1 +ATOM 3702 N NH1 ARG 115 . . F 3 31.383 57.002 26.929 1 44.91 ? NH1 ARG 115 B 1 +ATOM 3703 N NH2 ARG 115 . . F 3 29.984 58.311 28.205 1 39.68 ? NH2 ARG 115 B 1 +ATOM 3704 N N LEU 116 . . F 3 27.437 54.36 20.156 1 26.33 ? N LEU 116 B 1 +ATOM 3705 C CA LEU 116 . . F 3 27.684 53.629 18.94 1 20.9 ? CA LEU 116 B 1 +ATOM 3706 C C LEU 116 . . F 3 27.368 54.581 17.779 1 22.04 ? C LEU 116 B 1 +ATOM 3707 O O LEU 116 . . F 3 28.26 55.045 17.061 1 12.77 ? O LEU 116 B 1 +ATOM 3708 C CB LEU 116 . . F 3 26.77 52.418 18.855 1 24.96 ? CB LEU 116 B 1 +ATOM 3709 C CG LEU 116 . . F 3 26.723 51.829 17.441 1 31.68 ? CG LEU 116 B 1 +ATOM 3710 C CD1 LEU 116 . . F 3 27.954 50.994 17.288 1 33.91 ? CD1 LEU 116 B 1 +ATOM 3711 C CD2 LEU 116 . . F 3 25.448 51.011 17.197 1 28 ? CD2 LEU 116 B 1 +ATOM 3712 N N SER 117 . . F 3 26.078 54.882 17.631 1 6 ? N SER 117 B 1 +ATOM 3713 C CA SER 117 . . F 3 25.613 55.751 16.564 1 9.49 ? CA SER 117 B 1 +ATOM 3714 C C SER 117 . . F 3 26.467 57.004 16.351 1 8.5 ? C SER 117 B 1 +ATOM 3715 O O SER 117 . . F 3 26.702 57.362 15.229 1 16.84 ? O SER 117 B 1 +ATOM 3716 C CB SER 117 . . F 3 24.186 56.16 16.84 1 14.5 ? CB SER 117 B 1 +ATOM 3717 O OG SER 117 . . F 3 23.439 54.978 17.029 1 27.72 ? OG SER 117 B 1 +ATOM 3718 N N ALA 118 . . F 3 26.946 57.68 17.373 1 18.16 ? N ALA 118 B 1 +ATOM 3719 C CA ALA 118 . . F 3 27.784 58.817 17.061 1 25.91 ? CA ALA 118 B 1 +ATOM 3720 C C ALA 118 . . F 3 28.911 58.309 16.164 1 26.83 ? C ALA 118 B 1 +ATOM 3721 O O ALA 118 . . F 3 29.224 58.853 15.083 1 17.64 ? O ALA 118 B 1 +ATOM 3722 C CB ALA 118 . . F 3 28.364 59.392 18.321 1 24.51 ? CB ALA 118 B 1 +ATOM 3723 N N GLN 119 . . F 3 29.495 57.208 16.625 1 31.09 ? N GLN 119 B 1 +ATOM 3724 C CA GLN 119 . . F 3 30.617 56.579 15.943 1 32.55 ? CA GLN 119 B 1 +ATOM 3725 C C GLN 119 . . F 3 30.248 56.338 14.439 1 31.63 ? C GLN 119 B 1 +ATOM 3726 O O GLN 119 . . F 3 30.899 56.868 13.533 1 30.13 ? O GLN 119 B 1 +ATOM 3727 C CB GLN 119 . . F 3 30.941 55.266 16.71 1 22.88 ? CB GLN 119 B 1 +ATOM 3728 C CG GLN 119 . . F 3 32.426 54.92 16.958 1 29.7 ? CG GLN 119 B 1 +ATOM 3729 C CD GLN 119 . . F 3 32.907 54.979 18.422 1 20.53 ? CD GLN 119 B 1 +ATOM 3730 O OE1 GLN 119 . . F 3 34.106 54.935 18.692 1 28.26 ? OE1 GLN 119 B 1 +ATOM 3731 N NE2 GLN 119 . . F 3 31.989 55.071 19.352 1 29.92 ? NE2 GLN 119 B 1 +ATOM 3732 N N MET 120 . . F 3 29.182 55.597 14.161 1 25.81 ? N MET 120 B 1 +ATOM 3733 C CA MET 120 . . F 3 28.81 55.369 12.771 1 24 ? CA MET 120 B 1 +ATOM 3734 C C MET 120 . . F 3 28.535 56.67 12.01 1 22.19 ? C MET 120 B 1 +ATOM 3735 O O MET 120 . . F 3 28.673 56.734 10.797 1 30.05 ? O MET 120 B 1 +ATOM 3736 C CB MET 120 . . F 3 27.564 54.493 12.688 1 18.75 ? CB MET 120 B 1 +ATOM 3737 C CG MET 120 . . F 3 27.719 53.14 13.321 1 14.42 ? CG MET 120 B 1 +ATOM 3738 S SD MET 120 . . F 3 26.207 52.193 13.016 1 21.76 ? SD MET 120 B 1 +ATOM 3739 C CE MET 120 . . F 3 25.128 53.111 14.061 1 18.57 ? CE MET 120 B 1 +ATOM 3740 N N ALA 121 . . F 3 28.129 57.7 12.726 1 14.97 ? N ALA 121 B 1 +ATOM 3741 C CA ALA 121 . . F 3 27.829 58.977 12.127 1 13.16 ? CA ALA 121 B 1 +ATOM 3742 C C ALA 121 . . F 3 29.076 59.622 11.592 1 15.04 ? C ALA 121 B 1 +ATOM 3743 O O ALA 121 . . F 3 29.053 60.12 10.47 1 25.68 ? O ALA 121 B 1 +ATOM 3744 C CB ALA 121 . . F 3 27.195 59.893 13.14 1 30.92 ? CB ALA 121 B 1 +ATOM 3745 N N ARG 122 . . F 3 30.176 59.625 12.319 1 6 ? N ARG 122 B 1 +ATOM 3746 C CA ARG 122 . . F 3 31.26 60.284 11.666 1 12.43 ? CA ARG 122 B 1 +ATOM 3747 C C ARG 122 . . F 3 31.847 59.419 10.595 1 21.97 ? C ARG 122 B 1 +ATOM 3748 O O ARG 122 . . F 3 32.39 59.942 9.596 1 32.36 ? O ARG 122 B 1 +ATOM 3749 C CB ARG 122 . . F 3 32.334 60.698 12.668 1 15.11 ? CB ARG 122 B 1 +ATOM 3750 C CG ARG 122 . . F 3 31.812 61.893 13.549 1 32.79 ? CG ARG 122 B 1 +ATOM 3751 C CD ARG 122 . . F 3 30.726 62.871 12.887 1 34.68 ? CD ARG 122 B 1 +ATOM 3752 N NE ARG 122 . . F 3 31.056 63.57 11.623 1 40.65 ? NE ARG 122 B 1 +ATOM 3753 C CZ ARG 122 . . F 3 30.204 64.329 10.91 1 35.47 ? CZ ARG 122 B 1 +ATOM 3754 N NH1 ARG 122 . . F 3 28.954 64.524 11.289 1 35.14 ? NH1 ARG 122 B 1 +ATOM 3755 N NH2 ARG 122 . . F 3 30.587 64.922 9.795 1 36.21 ? NH2 ARG 122 B 1 +ATOM 3756 N N ARG 123 . . F 3 31.721 58.102 10.752 1 31.72 ? N ARG 123 B 1 +ATOM 3757 C CA ARG 123 . . F 3 32.241 57.213 9.707 1 28.48 ? CA ARG 123 B 1 +ATOM 3758 C C ARG 123 . . F 3 31.423 57.307 8.437 1 22.27 ? C ARG 123 B 1 +ATOM 3759 O O ARG 123 . . F 3 31.967 57.063 7.392 1 18.23 ? O ARG 123 B 1 +ATOM 3760 C CB ARG 123 . . F 3 32.245 55.759 10.162 1 22.47 ? CB ARG 123 B 1 +ATOM 3761 C CG ARG 123 . . F 3 33.297 55.49 11.184 1 20.81 ? CG ARG 123 B 1 +ATOM 3762 C CD ARG 123 . . F 3 32.973 54.2 11.837 1 20.58 ? CD ARG 123 B 1 +ATOM 3763 N NE ARG 123 . . F 3 33.871 53.904 12.936 1 21.43 ? NE ARG 123 B 1 +ATOM 3764 C CZ ARG 123 . . F 3 33.573 53.029 13.89 1 21.5 ? CZ ARG 123 B 1 +ATOM 3765 N NH1 ARG 123 . . F 3 32.408 52.379 13.885 1 17.9 ? NH1 ARG 123 B 1 +ATOM 3766 N NH2 ARG 123 . . F 3 34.455 52.779 14.828 1 19.75 ? NH2 ARG 123 B 1 +ATOM 3767 N N LEU 124 . . F 3 30.137 57.636 8.492 1 12.68 ? N LEU 124 B 1 +ATOM 3768 C CA LEU 124 . . F 3 29.429 57.745 7.231 1 9.16 ? CA LEU 124 B 1 +ATOM 3769 C C LEU 124 . . F 3 29.859 59.048 6.586 1 14.29 ? C LEU 124 B 1 +ATOM 3770 O O LEU 124 . . F 3 29.702 59.226 5.394 1 20.26 ? O LEU 124 B 1 +ATOM 3771 C CB LEU 124 . . F 3 27.903 57.731 7.445 1 10.6 ? CB LEU 124 B 1 +ATOM 3772 C CG LEU 124 . . F 3 26.979 57.641 6.209 1 20.56 ? CG LEU 124 B 1 +ATOM 3773 C CD1 LEU 124 . . F 3 25.547 57.18 6.558 1 17.46 ? CD1 LEU 124 B 1 +ATOM 3774 C CD2 LEU 124 . . F 3 26.898 59.032 5.612 1 28.61 ? CD2 LEU 124 B 1 +ATOM 3775 N N GLN 125 . . F 3 30.432 59.97 7.36 1 18.57 ? N GLN 125 B 1 +ATOM 3776 C CA GLN 125 . . F 3 30.872 61.227 6.759 1 20.3 ? CA GLN 125 B 1 +ATOM 3777 C C GLN 125 . . F 3 32.277 61.071 6.209 1 16.47 ? C GLN 125 B 1 +ATOM 3778 O O GLN 125 . . F 3 32.545 61.484 5.08 1 24.07 ? O GLN 125 B 1 +ATOM 3779 C CB GLN 125 . . F 3 30.843 62.376 7.787 1 19.67 ? CB GLN 125 B 1 +ATOM 3780 C CG GLN 125 . . F 3 30.854 63.805 7.135 1 37.57 ? CG GLN 125 B 1 +ATOM 3781 C CD GLN 125 . . F 3 32.149 64.214 6.38 1 39.27 ? CD GLN 125 B 1 +ATOM 3782 O OE1 GLN 125 . . F 3 32.143 64.407 5.158 1 49.89 ? OE1 GLN 125 B 1 +ATOM 3783 N NE2 GLN 125 . . F 3 33.246 64.361 7.114 1 35.42 ? NE2 GLN 125 B 1 +ATOM 3784 N N VAL 126 . . F 3 33.175 60.504 7 1 6 ? N VAL 126 B 1 +ATOM 3785 C CA VAL 126 . . F 3 34.537 60.277 6.538 1 8.95 ? CA VAL 126 B 1 +ATOM 3786 C C VAL 126 . . F 3 34.529 59.417 5.202 1 15.59 ? C VAL 126 B 1 +ATOM 3787 O O VAL 126 . . F 3 35.297 59.712 4.276 1 20 ? O VAL 126 B 1 +ATOM 3788 C CB VAL 126 . . F 3 35.38 59.55 7.721 1 8.3 ? CB VAL 126 B 1 +ATOM 3789 C CG1 VAL 126 . . F 3 34.905 58.18 7.894 1 15.07 ? CG1 VAL 126 B 1 +ATOM 3790 C CG2 VAL 126 . . F 3 36.873 59.493 7.417 1 7.72 ? CG2 VAL 126 B 1 +ATOM 3791 N N THR 127 . . F 3 33.644 58.404 5.088 1 19.23 ? N THR 127 B 1 +ATOM 3792 C CA THR 127 . . F 3 33.524 57.507 3.918 1 15.4 ? CA THR 127 B 1 +ATOM 3793 C C THR 127 . . F 3 32.979 58.201 2.645 1 16.94 ? C THR 127 B 1 +ATOM 3794 O O THR 127 . . F 3 33.559 58.063 1.576 1 19.91 ? O THR 127 B 1 +ATOM 3795 C CB THR 127 . . F 3 32.61 56.314 4.253 1 24.38 ? CB THR 127 B 1 +ATOM 3796 O OG1 THR 127 . . F 3 33.053 55.68 5.45 1 31.04 ? OG1 THR 127 B 1 +ATOM 3797 C CG2 THR 127 . . F 3 32.682 55.284 3.172 1 23.17 ? CG2 THR 127 B 1 +ATOM 3798 N N SER 128 . . F 3 31.845 58.894 2.75 1 10.8 ? N SER 128 B 1 +ATOM 3799 C CA SER 128 . . F 3 31.315 59.674 1.655 1 7.58 ? CA SER 128 B 1 +ATOM 3800 C C SER 128 . . F 3 32.423 60.618 1.07 1 12.15 ? C SER 128 B 1 +ATOM 3801 O O SER 128 . . F 3 32.607 60.72 -0.158 1 8.04 ? O SER 128 B 1 +ATOM 3802 C CB SER 128 . . F 3 30.15 60.476 2.167 1 7.96 ? CB SER 128 B 1 +ATOM 3803 O OG SER 128 . . F 3 29.043 59.65 2.485 1 6 ? OG SER 128 B 1 +ATOM 3804 N N GLU 129 . . F 3 33.206 61.266 1.927 1 11.45 ? N GLU 129 B 1 +ATOM 3805 C CA GLU 129 . . F 3 34.292 62.12 1.433 1 11.66 ? CA GLU 129 B 1 +ATOM 3806 C C GLU 129 . . F 3 35.148 61.257 0.502 1 11.95 ? C GLU 129 B 1 +ATOM 3807 O O GLU 129 . . F 3 35.29 61.536 -0.678 1 24.96 ? O GLU 129 B 1 +ATOM 3808 C CB GLU 129 . . F 3 35.167 62.635 2.591 1 6 ? CB GLU 129 B 1 +ATOM 3809 C CG GLU 129 . . F 3 35.61 64.074 2.373 1 23 ? CG GLU 129 B 1 +ATOM 3810 C CD GLU 129 . . F 3 36.908 64.446 3.091 1 20.21 ? CD GLU 129 B 1 +ATOM 3811 O OE1 GLU 129 . . F 3 36.893 64.789 4.286 1 31.85 ? OE1 GLU 129 B 1 +ATOM 3812 O OE2 GLU 129 . . F 3 37.975 64.394 2.452 1 27.65 ? OE2 GLU 129 B 1 +ATOM 3813 N N LYS 130 . . F 3 35.689 60.177 1.048 1 16.14 ? N LYS 130 B 1 +ATOM 3814 C CA LYS 130 . . F 3 36.5 59.203 0.321 1 14.93 ? CA LYS 130 B 1 +ATOM 3815 C C LYS 130 . . F 3 35.835 58.836 -1.036 1 14.28 ? C LYS 130 B 1 +ATOM 3816 O O LYS 130 . . F 3 36.557 58.632 -2.001 1 11.83 ? O LYS 130 B 1 +ATOM 3817 C CB LYS 130 . . F 3 36.679 57.962 1.231 1 16.37 ? CB LYS 130 B 1 +ATOM 3818 C CG LYS 130 . . F 3 37.362 56.738 0.607 1 19.85 ? CG LYS 130 B 1 +ATOM 3819 C CD LYS 130 . . F 3 38.604 56.245 1.372 1 21.79 ? CD LYS 130 B 1 +ATOM 3820 C CE LYS 130 . . F 3 39.044 54.827 0.869 1 21.85 ? CE LYS 130 B 1 +ATOM 3821 N NZ LYS 130 . . F 3 40.374 54.326 1.362 1 21.02 ? NZ LYS 130 B 1 +ATOM 3822 N N VAL 131 . . F 3 34.504 58.722 -1.147 1 6 ? N VAL 131 B 1 +ATOM 3823 C CA VAL 131 . . F 3 33.939 58.472 -2.47 1 11.08 ? CA VAL 131 B 1 +ATOM 3824 C C VAL 131 . . F 3 34.271 59.69 -3.361 1 10.79 ? C VAL 131 B 1 +ATOM 3825 O O VAL 131 . . F 3 34.871 59.55 -4.417 1 20.71 ? O VAL 131 B 1 +ATOM 3826 C CB VAL 131 . . F 3 32.384 58.3 -2.432 1 16.43 ? CB VAL 131 B 1 +ATOM 3827 C CG1 VAL 131 . . F 3 31.804 58.196 -3.843 1 6 ? CG1 VAL 131 B 1 +ATOM 3828 C CG2 VAL 131 . . F 3 32.042 57.038 -1.676 1 22.52 ? CG2 VAL 131 B 1 +ATOM 3829 N N GLY 132 . . F 3 33.937 60.888 -2.902 1 12.82 ? N GLY 132 B 1 +ATOM 3830 C CA GLY 132 . . F 3 34.188 62.114 -3.661 1 15.93 ? CA GLY 132 B 1 +ATOM 3831 C C GLY 132 . . F 3 35.634 62.332 -4.073 1 17.35 ? C GLY 132 B 1 +ATOM 3832 O O GLY 132 . . F 3 35.883 62.873 -5.145 1 25.45 ? O GLY 132 B 1 +ATOM 3833 N N ASN 133 . . F 3 36.597 61.971 -3.24 1 6 ? N ASN 133 B 1 +ATOM 3834 C CA ASN 133 . . F 3 37.972 62.101 -3.636 1 6 ? CA ASN 133 B 1 +ATOM 3835 C C ASN 133 . . F 3 38.319 61.114 -4.754 1 10.86 ? C ASN 133 B 1 +ATOM 3836 O O ASN 133 . . F 3 39.092 61.416 -5.648 1 26.23 ? O ASN 133 B 1 +ATOM 3837 C CB ASN 133 . . F 3 38.888 61.825 -2.467 1 15.42 ? CB ASN 133 B 1 +ATOM 3838 C CG ASN 133 . . F 3 38.73 62.82 -1.357 1 25.45 ? CG ASN 133 B 1 +ATOM 3839 O OD1 ASN 133 . . F 3 37.754 63.59 -1.328 1 34.73 ? OD1 ASN 133 B 1 +ATOM 3840 N ND2 ASN 133 . . F 3 39.691 62.82 -0.424 1 20.65 ? ND2 ASN 133 B 1 +ATOM 3841 N N LEU 134 . . F 3 37.789 59.904 -4.678 1 14.24 ? N LEU 134 B 1 +ATOM 3842 C CA LEU 134 . . F 3 38.072 58.891 -5.658 1 8.73 ? CA LEU 134 B 1 +ATOM 3843 C C LEU 134 . . F 3 37.54 59.307 -6.984 1 15.86 ? C LEU 134 B 1 +ATOM 3844 O O LEU 134 . . F 3 38.081 58.944 -8.014 1 17.35 ? O LEU 134 B 1 +ATOM 3845 C CB LEU 134 . . F 3 37.429 57.578 -5.255 1 17.51 ? CB LEU 134 B 1 +ATOM 3846 C CG LEU 134 . . F 3 38.083 56.84 -4.1 1 8.07 ? CG LEU 134 B 1 +ATOM 3847 C CD1 LEU 134 . . F 3 37.243 55.649 -3.672 1 11.18 ? CD1 LEU 134 B 1 +ATOM 3848 C CD2 LEU 134 . . F 3 39.427 56.402 -4.546 1 12.76 ? CD2 LEU 134 B 1 +ATOM 3849 N N ALA 135 . . F 3 36.486 60.101 -6.965 1 6.03 ? N ALA 135 B 1 +ATOM 3850 C CA ALA 135 . . F 3 35.852 60.491 -8.198 1 12.61 ? CA ALA 135 B 1 +ATOM 3851 C C ALA 135 . . F 3 36.146 61.897 -8.755 1 14.83 ? C ALA 135 B 1 +ATOM 3852 O O ALA 135 . . F 3 35.803 62.15 -9.922 1 11.33 ? O ALA 135 B 1 +ATOM 3853 C CB ALA 135 . . F 3 34.377 60.337 -8.022 1 12.38 ? CB ALA 135 B 1 +ATOM 3854 N N PHE 136 . . F 3 36.716 62.801 -7.957 1 11.8 ? N PHE 136 B 1 +ATOM 3855 C CA PHE 136 . . F 3 36.961 64.184 -8.384 1 18.03 ? CA PHE 136 B 1 +ATOM 3856 C C PHE 136 . . F 3 38.46 64.559 -8.507 1 20.12 ? C PHE 136 B 1 +ATOM 3857 O O PHE 136 . . F 3 38.845 65.383 -9.34 1 26.36 ? O PHE 136 B 1 +ATOM 3858 C CB PHE 136 . . F 3 36.297 65.172 -7.39 1 10.56 ? CB PHE 136 B 1 +ATOM 3859 C CG PHE 136 . . F 3 34.769 65.186 -7.404 1 19.16 ? CG PHE 136 B 1 +ATOM 3860 C CD1 PHE 136 . . F 3 34.038 64.808 -8.531 1 15.55 ? CD1 PHE 136 B 1 +ATOM 3861 C CD2 PHE 136 . . F 3 34.069 65.603 -6.278 1 8.01 ? CD2 PHE 136 B 1 +ATOM 3862 C CE1 PHE 136 . . F 3 32.633 64.847 -8.532 1 21.46 ? CE1 PHE 136 B 1 +ATOM 3863 C CE2 PHE 136 . . F 3 32.7 65.641 -6.278 1 16.09 ? CE2 PHE 136 B 1 +ATOM 3864 C CZ PHE 136 . . F 3 31.968 65.261 -7.416 1 15.36 ? CZ PHE 136 B 1 +ATOM 3865 N N LEU 137 . . F 3 39.276 63.989 -7.634 1 12.22 ? N LEU 137 B 1 +ATOM 3866 C CA LEU 137 . . F 3 40.702 64.241 -7.543 1 15.52 ? CA LEU 137 B 1 +ATOM 3867 C C LEU 137 . . F 3 41.508 63.185 -8.305 1 18.41 ? C LEU 137 B 1 +ATOM 3868 O O LEU 137 . . F 3 41.146 62.006 -8.312 1 23.05 ? O LEU 137 B 1 +ATOM 3869 C CB LEU 137 . . F 3 41.104 64.244 -6.055 1 18 ? CB LEU 137 B 1 +ATOM 3870 C CG LEU 137 . . F 3 40.643 65.305 -5.042 1 13.34 ? CG LEU 137 B 1 +ATOM 3871 C CD1 LEU 137 . . F 3 39.145 65.354 -4.903 1 20.49 ? CD1 LEU 137 B 1 +ATOM 3872 C CD2 LEU 137 . . F 3 41.215 64.948 -3.727 1 16.84 ? CD2 LEU 137 B 1 +ATOM 3873 N N ASP 138 . . F 3 42.584 63.577 -8.97 1 22.68 ? N ASP 138 B 1 +ATOM 3874 C CA ASP 138 . . F 3 43.387 62.577 -9.636 1 22.09 ? CA ASP 138 B 1 +ATOM 3875 C C ASP 138 . . F 3 44.246 61.97 -8.544 1 25.28 ? C ASP 138 B 1 +ATOM 3876 O O ASP 138 . . F 3 44.199 62.453 -7.414 1 36.18 ? O ASP 138 B 1 +ATOM 3877 C CB ASP 138 . . F 3 44.219 63.25 -10.731 1 28.7 ? CB ASP 138 B 1 +ATOM 3878 C CG ASP 138 . . F 3 45.076 64.429 -10.232 1 37.04 ? CG ASP 138 B 1 +ATOM 3879 O OD1 ASP 138 . . F 3 45.119 64.716 -8.994 1 34.49 ? OD1 ASP 138 B 1 +ATOM 3880 O OD2 ASP 138 . . F 3 45.714 65.068 -11.122 1 29.88 ? OD2 ASP 138 B 1 +ATOM 3881 N N VAL 139 . . F 3 45.057 60.958 -8.811 1 24.71 ? N VAL 139 B 1 +ATOM 3882 C CA VAL 139 . . F 3 45.8 60.372 -7.694 1 21.17 ? CA VAL 139 B 1 +ATOM 3883 C C VAL 139 . . F 3 46.641 61.35 -6.907 1 19.93 ? C VAL 139 B 1 +ATOM 3884 O O VAL 139 . . F 3 46.61 61.356 -5.677 1 24.54 ? O VAL 139 B 1 +ATOM 3885 C CB VAL 139 . . F 3 46.744 59.261 -8.151 1 17.54 ? CB VAL 139 B 1 +ATOM 3886 C CG1 VAL 139 . . F 3 47.612 59.765 -9.247 1 20.87 ? CG1 VAL 139 B 1 +ATOM 3887 C CG2 VAL 139 . . F 3 47.635 58.818 -6.997 1 21.72 ? CG2 VAL 139 B 1 +ATOM 3888 N N THR 140 . . F 3 47.378 62.182 -7.606 1 15.47 ? N THR 140 B 1 +ATOM 3889 C CA THR 140 . . F 3 48.29 63.094 -6.948 1 23.09 ? CA THR 140 B 1 +ATOM 3890 C C THR 140 . . F 3 47.601 63.827 -5.83 1 23.55 ? C THR 140 B 1 +ATOM 3891 O O THR 140 . . F 3 48.171 64.024 -4.763 1 32.52 ? O THR 140 B 1 +ATOM 3892 C CB THR 140 . . F 3 48.83 64.122 -7.93 1 36.35 ? CB THR 140 B 1 +ATOM 3893 O OG1 THR 140 . . F 3 49.309 63.447 -9.099 1 49.26 ? OG1 THR 140 B 1 +ATOM 3894 C CG2 THR 140 . . F 3 49.975 64.901 -7.312 1 37.86 ? CG2 THR 140 B 1 +ATOM 3895 N N GLY 141 . . F 3 46.35 64.191 -6.075 1 28.77 ? N GLY 141 B 1 +ATOM 3896 C CA GLY 141 . . F 3 45.581 64.957 -5.103 1 31.58 ? CA GLY 141 B 1 +ATOM 3897 C C GLY 141 . . F 3 45.141 64.13 -3.924 1 31.19 ? C GLY 141 B 1 +ATOM 3898 O O GLY 141 . . F 3 45.248 64.56 -2.763 1 37.76 ? O GLY 141 B 1 +ATOM 3899 N N ARG 142 . . F 3 44.603 62.956 -4.223 1 31.85 ? N ARG 142 B 1 +ATOM 3900 C CA ARG 142 . . F 3 44.211 62.081 -3.157 1 25.46 ? CA ARG 142 B 1 +ATOM 3901 C C ARG 142 . . F 3 45.45 61.869 -2.261 1 25.68 ? C ARG 142 B 1 +ATOM 3902 O O ARG 142 . . F 3 45.363 62.027 -1.069 1 27.72 ? O ARG 142 B 1 +ATOM 3903 C CB ARG 142 . . F 3 43.722 60.763 -3.742 1 22.37 ? CB ARG 142 B 1 +ATOM 3904 C CG ARG 142 . . F 3 42.5 60.883 -4.651 1 26.83 ? CG ARG 142 B 1 +ATOM 3905 C CD ARG 142 . . F 3 41.977 59.512 -5.169 1 23.63 ? CD ARG 142 B 1 +ATOM 3906 N NE ARG 142 . . F 3 42.94 58.803 -6.021 1 25.58 ? NE ARG 142 B 1 +ATOM 3907 C CZ ARG 142 . . F 3 42.659 57.742 -6.776 1 26.34 ? CZ ARG 142 B 1 +ATOM 3908 N NH1 ARG 142 . . F 3 41.441 57.241 -6.792 1 34.31 ? NH1 ARG 142 B 1 +ATOM 3909 N NH2 ARG 142 . . F 3 43.585 57.196 -7.543 1 19.41 ? NH2 ARG 142 B 1 +ATOM 3910 N N ILE 143 . . F 3 46.626 61.591 -2.804 1 26.2 ? N ILE 143 B 1 +ATOM 3911 C CA ILE 143 . . F 3 47.767 61.371 -1.927 1 22.59 ? CA ILE 143 B 1 +ATOM 3912 C C ILE 143 . . F 3 48.079 62.556 -1.008 1 26.27 ? C ILE 143 B 1 +ATOM 3913 O O ILE 143 . . F 3 48.538 62.353 0.115 1 26.91 ? O ILE 143 B 1 +ATOM 3914 C CB ILE 143 . . F 3 49.051 61.046 -2.743 1 22.51 ? CB ILE 143 B 1 +ATOM 3915 C CG1 ILE 143 . . F 3 48.902 59.687 -3.421 1 15.96 ? CG1 ILE 143 B 1 +ATOM 3916 C CG2 ILE 143 . . F 3 50.274 60.991 -1.812 1 22.73 ? CG2 ILE 143 B 1 +ATOM 3917 C CD1 ILE 143 . . F 3 50.195 59.206 -4.005 1 22.99 ? CD1 ILE 143 B 1 +ATOM 3918 N N ALA 144 . . F 3 47.855 63.789 -1.445 1 26.86 ? N ALA 144 B 1 +ATOM 3919 C CA ALA 144 . . F 3 48.167 64.906 -0.564 1 30.91 ? CA ALA 144 B 1 +ATOM 3920 C C ALA 144 . . F 3 47.135 65.015 0.571 1 33.44 ? C ALA 144 B 1 +ATOM 3921 O O ALA 144 . . F 3 47.458 65.51 1.658 1 31.27 ? O ALA 144 B 1 +ATOM 3922 C CB ALA 144 . . F 3 48.207 66.195 -1.368 1 31.26 ? CB ALA 144 B 1 +ATOM 3923 N N GLN 145 . . F 3 45.893 64.597 0.321 1 26 ? N GLN 145 B 1 +ATOM 3924 C CA GLN 145 . . F 3 44.905 64.565 1.39 1 28.49 ? CA GLN 145 B 1 +ATOM 3925 C C GLN 145 . . F 3 45.285 63.446 2.373 1 32.2 ? C GLN 145 B 1 +ATOM 3926 O O GLN 145 . . F 3 45.2 63.601 3.6 1 35.21 ? O GLN 145 B 1 +ATOM 3927 C CB GLN 145 . . F 3 43.509 64.298 0.828 1 33.11 ? CB GLN 145 B 1 +ATOM 3928 C CG GLN 145 . . F 3 42.873 65.53 0.117 1 39.62 ? CG GLN 145 B 1 +ATOM 3929 C CD GLN 145 . . F 3 41.639 66.075 0.844 1 39.15 ? CD GLN 145 B 1 +ATOM 3930 O OE1 GLN 145 . . F 3 41.691 66.411 2.036 1 35.62 ? OE1 GLN 145 B 1 +ATOM 3931 N NE2 GLN 145 . . F 3 40.515 66.15 0.123 1 48.64 ? NE2 GLN 145 B 1 +ATOM 3932 N N THR 146 . . F 3 45.706 62.307 1.838 1 31.18 ? N THR 146 B 1 +ATOM 3933 C CA THR 146 . . F 3 46.137 61.186 2.663 1 25.08 ? CA THR 146 B 1 +ATOM 3934 C C THR 146 . . F 3 47.327 61.604 3.537 1 24.65 ? C THR 146 B 1 +ATOM 3935 O O THR 146 . . F 3 47.277 61.392 4.75 1 22.06 ? O THR 146 B 1 +ATOM 3936 C CB THR 146 . . F 3 46.5 60.021 1.735 1 16.96 ? CB THR 146 B 1 +ATOM 3937 O OG1 THR 146 . . F 3 45.279 59.522 1.188 1 14.17 ? OG1 THR 146 B 1 +ATOM 3938 C CG2 THR 146 . . F 3 47.273 58.931 2.452 1 24.2 ? CG2 THR 146 B 1 +ATOM 3939 N N LEU 147 . . F 3 48.358 62.221 2.936 1 21.29 ? N LEU 147 B 1 +ATOM 3940 C CA LEU 147 . . F 3 49.525 62.693 3.678 1 23.74 ? CA LEU 147 B 1 +ATOM 3941 C C LEU 147 . . F 3 49.137 63.771 4.687 1 26.49 ? C LEU 147 B 1 +ATOM 3942 O O LEU 147 . . F 3 49.794 63.955 5.719 1 32.72 ? O LEU 147 B 1 +ATOM 3943 C CB LEU 147 . . F 3 50.582 63.227 2.706 1 30.23 ? CB LEU 147 B 1 +ATOM 3944 C CG LEU 147 . . F 3 51.07 62.103 1.774 1 32.85 ? CG LEU 147 B 1 +ATOM 3945 C CD1 LEU 147 . . F 3 52.528 62.339 1.401 1 25.47 ? CD1 LEU 147 B 1 +ATOM 3946 C CD2 LEU 147 . . F 3 50.994 60.76 2.493 1 31.35 ? CD2 LEU 147 B 1 +ATOM 3947 N N LEU 148 . . F 3 48.045 64.58 4.591 1 30.37 ? N LEU 148 B 1 +ATOM 3948 C CA LEU 148 . . F 3 47.562 65.608 5.485 1 33.47 ? CA LEU 148 B 1 +ATOM 3949 C C LEU 148 . . F 3 46.823 64.85 6.61 1 30.49 ? C LEU 148 B 1 +ATOM 3950 O O LEU 148 . . F 3 47.376 64.706 7.697 1 29.91 ? O LEU 148 B 1 +ATOM 3951 C CB LEU 148 . . F 3 46.619 66.555 4.722 1 35.58 ? CB LEU 148 B 1 +ATOM 3952 C CG LEU 148 . . F 3 47.059 68.031 4.696 1 43.84 ? CG LEU 148 B 1 +ATOM 3953 C CD1 LEU 148 . . F 3 48.463 68.129 4.098 1 43.67 ? CD1 LEU 148 B 1 +ATOM 3954 C CD2 LEU 148 . . F 3 46.048 68.862 3.895 1 37.67 ? CD2 LEU 148 B 1 +ATOM 3955 N N ASN 149 . . F 3 45.649 64.28 6.298 1 29.34 ? N ASN 149 B 1 +ATOM 3956 C CA ASN 149 . . F 3 44.803 63.477 7.202 1 30.43 ? CA ASN 149 B 1 +ATOM 3957 C C ASN 149 . . F 3 45.559 62.391 7.989 1 36.59 ? C ASN 149 B 1 +ATOM 3958 O O ASN 149 . . F 3 45.274 62.183 9.182 1 44.05 ? O ASN 149 B 1 +ATOM 3959 C CB ASN 149 . . F 3 43.657 62.803 6.404 1 43.77 ? CB ASN 149 B 1 +ATOM 3960 C CG ASN 149 . . F 3 42.532 63.796 5.972 1 50.5 ? CG ASN 149 B 1 +ATOM 3961 O OD1 ASN 149 . . F 3 41.773 64.313 6.807 1 54.81 ? OD1 ASN 149 B 1 +ATOM 3962 N ND2 ASN 149 . . F 3 42.42 64.045 4.665 1 44.07 ? ND2 ASN 149 B 1 +ATOM 3963 N N LEU 150 . . F 3 46.5 61.686 7.368 1 28.2 ? N LEU 150 B 1 +ATOM 3964 C CA LEU 150 . . F 3 47.252 60.701 8.124 1 29 ? CA LEU 150 B 1 +ATOM 3965 C C LEU 150 . . F 3 48.101 61.383 9.16 1 30.94 ? C LEU 150 B 1 +ATOM 3966 O O LEU 150 . . F 3 48.02 61.119 10.362 1 33.3 ? O LEU 150 B 1 +ATOM 3967 C CB LEU 150 . . F 3 48.197 59.9 7.237 1 30.48 ? CB LEU 150 B 1 +ATOM 3968 C CG LEU 150 . . F 3 47.712 58.822 6.268 1 32.55 ? CG LEU 150 B 1 +ATOM 3969 C CD1 LEU 150 . . F 3 48.86 58.436 5.328 1 25.04 ? CD1 LEU 150 B 1 +ATOM 3970 C CD2 LEU 150 . . F 3 47.206 57.619 7.068 1 33.4 ? CD2 LEU 150 B 1 +ATOM 3971 N N ALA 151 . . F 3 48.945 62.26 8.64 1 35.89 ? N ALA 151 B 1 +ATOM 3972 C CA ALA 151 . . F 3 49.911 62.994 9.425 1 38.49 ? CA ALA 151 B 1 +ATOM 3973 C C ALA 151 . . F 3 49.263 63.982 10.393 1 38.55 ? C ALA 151 B 1 +ATOM 3974 O O ALA 151 . . F 3 49.517 65.171 10.334 1 35.91 ? O ALA 151 B 1 +ATOM 3975 C CB ALA 151 . . F 3 50.849 63.716 8.469 1 37.11 ? CB ALA 151 B 1 +ATOM 3976 N N LYS 152 . . F 3 48.456 63.474 11.311 1 39.55 ? N LYS 152 B 1 +ATOM 3977 C CA LYS 152 . . F 3 47.762 64.29 12.31 1 39.82 ? CA LYS 152 B 1 +ATOM 3978 C C LYS 152 . . F 3 47.097 63.343 13.328 1 45.4 ? C LYS 152 B 1 +ATOM 3979 O O LYS 152 . . F 3 47.347 63.475 14.534 1 50.61 ? O LYS 152 B 1 +ATOM 3980 C CB LYS 152 . . F 3 46.696 65.171 11.637 1 44.12 ? CB LYS 152 B 1 +ATOM 3981 C CG LYS 152 . . F 3 45.904 66.075 12.594 1 48.42 ? CG LYS 152 B 1 +ATOM 3982 C CD LYS 152 . . F 3 44.689 66.68 11.891 1 51.82 ? CD LYS 152 B 1 +ATOM 3983 C CE LYS 152 . . F 3 43.669 67.278 12.877 1 52.07 ? CE LYS 152 B 1 +ATOM 3984 N NZ LYS 152 . . F 3 44.139 68.422 13.702 1 40.63 ? NZ LYS 152 B 1 +ATOM 3985 N N GLN 153 . . F 3 46.273 62.4 12.85 1 45.18 ? N GLN 153 B 1 +ATOM 3986 C CA GLN 153 . . F 3 45.621 61.377 13.69 1 44.36 ? CA GLN 153 B 1 +ATOM 3987 C C GLN 153 . . F 3 46.688 60.682 14.582 1 46.16 ? C GLN 153 B 1 +ATOM 3988 O O GLN 153 . . F 3 47.806 60.444 14.116 1 51.06 ? O GLN 153 B 1 +ATOM 3989 C CB GLN 153 . . F 3 44.957 60.339 12.782 1 45.12 ? CB GLN 153 B 1 +ATOM 3990 C CG GLN 153 . . F 3 44.263 59.139 13.463 1 44.46 ? CG GLN 153 B 1 +ATOM 3991 C CD GLN 153 . . F 3 43.84 58.04 12.459 1 42.69 ? CD GLN 153 B 1 +ATOM 3992 O OE1 GLN 153 . . F 3 44.689 57.485 11.756 1 36.97 ? OE1 GLN 153 B 1 +ATOM 3993 N NE2 GLN 153 . . F 3 42.536 57.732 12.394 1 37 ? NE2 GLN 153 B 1 +ATOM 3994 N N PRO 154 . . F 3 46.375 60.349 15.856 1 44.48 ? N PRO 154 B 1 +ATOM 3995 C CA PRO 154 . . F 3 47.33 59.796 16.833 1 45.29 ? CA PRO 154 B 1 +ATOM 3996 C C PRO 154 . . F 3 48.086 58.512 16.433 1 48.4 ? C PRO 154 B 1 +ATOM 3997 O O PRO 154 . . F 3 47.643 57.383 16.624 1 51.99 ? O PRO 154 B 1 +ATOM 3998 C CB PRO 154 . . F 3 46.486 59.655 18.092 1 50.13 ? CB PRO 154 B 1 +ATOM 3999 C CG PRO 154 . . F 3 45.624 60.875 18 1 55 ? CG PRO 154 B 1 +ATOM 4000 C CD PRO 154 . . F 3 45.092 60.628 16.568 1 47.81 ? CD PRO 154 B 1 +ATOM 4001 N N ASP 155 . . F 3 49.271 58.836 15.919 1 47.86 ? N ASP 155 B 1 +ATOM 4002 C CA ASP 155 . . F 3 50.307 57.924 15.422 1 48.66 ? CA ASP 155 B 1 +ATOM 4003 C C ASP 155 . . F 3 51.511 58.767 15.104 1 49.94 ? C ASP 155 B 1 +ATOM 4004 O O ASP 155 . . F 3 52.688 58.38 15.158 1 45.02 ? O ASP 155 B 1 +ATOM 4005 C CB ASP 155 . . F 3 49.861 57.155 14.123 1 55 ? CB ASP 155 B 1 +ATOM 4006 C CG ASP 155 . . F 3 50.571 57.591 12.799 1 54.97 ? CG ASP 155 B 1 +ATOM 4007 O OD1 ASP 155 . . F 3 51.786 57.298 12.542 1 44.54 ? OD1 ASP 155 B 1 +ATOM 4008 O OD2 ASP 155 . . F 3 49.881 58.23 11.96 1 44.54 ? OD2 ASP 155 B 1 +ATOM 4009 N N ALA 156 . . F 3 51.065 59.955 14.702 1 54.47 ? N ALA 156 B 1 +ATOM 4010 C CA ALA 156 . . F 3 51.808 61.123 14.319 1 55 ? CA ALA 156 B 1 +ATOM 4011 C C ALA 156 . . F 3 52.422 61.689 15.583 1 55 ? C ALA 156 B 1 +ATOM 4012 O O ALA 156 . . F 3 51.773 61.763 16.654 1 53.46 ? O ALA 156 B 1 +ATOM 4013 C CB ALA 156 . . F 3 50.866 62.14 13.676 1 51.25 ? CB ALA 156 B 1 +ATOM 4014 N N MET 157 . . F 3 53.699 62.03 15.458 1 55 ? N MET 157 B 1 +ATOM 4015 C CA MET 157 . . F 3 54.425 62.628 16.543 1 55 ? CA MET 157 B 1 +ATOM 4016 C C MET 157 . . F 3 55.127 63.893 16.017 1 55 ? C MET 157 B 1 +ATOM 4017 O O MET 157 . . F 3 55.805 63.932 14.963 1 48.49 ? O MET 157 B 1 +ATOM 4018 C CB MET 157 . . F 3 55.408 61.583 17.129 1 53.29 ? CB MET 157 B 1 +ATOM 4019 C CG MET 157 . . F 3 56.129 60.751 16.143 1 48.98 ? CG MET 157 B 1 +ATOM 4020 S SD MET 157 . . F 3 57.179 61.862 15.329 1 51.78 ? SD MET 157 B 1 +ATOM 4021 C CE MET 157 . . F 3 58.818 61.278 16.015 1 52.5 ? CE MET 157 B 1 +ATOM 4022 N N THR 158 . . F 3 54.837 64.933 16.804 1 55 ? N THR 158 B 1 +ATOM 4023 C CA THR 158 . . F 3 55.202 66.33 16.66 1 53.39 ? CA THR 158 B 1 +ATOM 4024 C C THR 158 . . F 3 56.591 66.58 16.122 1 48.24 ? C THR 158 B 1 +ATOM 4025 O O THR 158 . . F 3 57.573 66.618 16.859 1 49.13 ? O THR 158 B 1 +ATOM 4026 C CB THR 158 . . F 3 55.025 67.036 18.043 1 50.88 ? CB THR 158 B 1 +ATOM 4027 O OG1 THR 158 . . F 3 55.915 66.474 19.026 1 55 ? OG1 THR 158 B 1 +ATOM 4028 C CG2 THR 158 . . F 3 53.585 66.83 18.536 1 53.52 ? CG2 THR 158 B 1 +ATOM 4029 N N HIS 159 . . F 3 56.673 66.718 14.81 1 44.88 ? N HIS 159 B 1 +ATOM 4030 C CA HIS 159 . . F 3 57.934 67.045 14.2 1 43.77 ? CA HIS 159 B 1 +ATOM 4031 C C HIS 159 . . F 3 58.139 68.524 14.441 1 46.4 ? C HIS 159 B 1 +ATOM 4032 O O HIS 159 . . F 3 57.165 69.284 14.555 1 40.91 ? O HIS 159 B 1 +ATOM 4033 C CB HIS 159 . . F 3 57.866 66.743 12.726 1 46.27 ? CB HIS 159 B 1 +ATOM 4034 C CG HIS 159 . . F 3 59.066 67.176 11.945 1 55 ? CG HIS 159 B 1 +ATOM 4035 N ND1 HIS 159 . . F 3 59.009 68.169 10.989 1 53.65 ? ND1 HIS 159 B 1 +ATOM 4036 C CD2 HIS 159 . . F 3 60.344 66.723 11.944 1 55 ? CD2 HIS 159 B 1 +ATOM 4037 C CE1 HIS 159 . . F 3 60.197 68.309 10.429 1 54.98 ? CE1 HIS 159 B 1 +ATOM 4038 N NE2 HIS 159 . . F 3 61.025 67.444 10.99 1 55 ? NE2 HIS 159 B 1 +ATOM 4039 N N PRO 160 . . F 3 59.399 68.952 14.55 1 44.57 ? N PRO 160 B 1 +ATOM 4040 C CA PRO 160 . . F 3 59.632 70.383 14.673 1 46.27 ? CA PRO 160 B 1 +ATOM 4041 C C PRO 160 . . F 3 58.796 71.18 13.693 1 47.62 ? C PRO 160 B 1 +ATOM 4042 O O PRO 160 . . F 3 57.881 71.903 14.096 1 42.67 ? O PRO 160 B 1 +ATOM 4043 C CB PRO 160 . . F 3 61.154 70.5 14.484 1 49.93 ? CB PRO 160 B 1 +ATOM 4044 C CG PRO 160 . . F 3 61.561 69.15 13.85 1 44.48 ? CG PRO 160 B 1 +ATOM 4045 C CD PRO 160 . . F 3 60.694 68.242 14.655 1 45.18 ? CD PRO 160 B 1 +ATOM 4046 N N ASP 161 . . F 3 59.066 70.972 12.411 1 47.88 ? N ASP 161 B 1 +ATOM 4047 C CA ASP 161 . . F 3 58.38 71.698 11.349 1 51.76 ? CA ASP 161 B 1 +ATOM 4048 C C ASP 161 . . F 3 57.628 70.797 10.384 1 48.81 ? C ASP 161 B 1 +ATOM 4049 O O ASP 161 . . F 3 58.151 70.392 9.354 1 50.04 ? O ASP 161 B 1 +ATOM 4050 C CB ASP 161 . . F 3 59.406 72.557 10.585 1 53.23 ? CB ASP 161 B 1 +ATOM 4051 C CG ASP 161 . . F 3 60.731 71.835 10.313 1 54.5 ? CG ASP 161 B 1 +ATOM 4052 O OD1 ASP 161 . . F 3 61.11 70.922 11.084 1 55 ? OD1 ASP 161 B 1 +ATOM 4053 O OD2 ASP 161 . . F 3 61.413 72.204 9.327 1 46.76 ? OD2 ASP 161 B 1 +ATOM 4054 N N GLY 162 . . F 3 56.383 70.51 10.753 1 51.92 ? N GLY 162 B 1 +ATOM 4055 C CA GLY 162 . . F 3 55.512 69.638 9.978 1 55 ? CA GLY 162 B 1 +ATOM 4056 C C GLY 162 . . F 3 55.595 68.232 10.546 1 53.21 ? C GLY 162 B 1 +ATOM 4057 O O GLY 162 . . F 3 56.65 67.598 10.457 1 54.57 ? O GLY 162 B 1 +ATOM 4058 N N MET 163 . . F 3 54.503 67.717 11.099 1 49.86 ? N MET 163 B 1 +ATOM 4059 C CA MET 163 . . F 3 54.551 66.403 11.744 1 52.68 ? CA MET 163 B 1 +ATOM 4060 C C MET 163 . . F 3 55.25 65.317 10.867 1 47.7 ? C MET 163 B 1 +ATOM 4061 O O MET 163 . . F 3 55.523 65.524 9.678 1 48.63 ? O MET 163 B 1 +ATOM 4062 C CB MET 163 . . F 3 53.094 66.005 12.107 1 55 ? CB MET 163 B 1 +ATOM 4063 C CG MET 163 . . F 3 52.847 65.613 13.614 1 55 ? CG MET 163 B 1 +ATOM 4064 S SD MET 163 . . F 3 51.658 66.625 14.644 1 55 ? SD MET 163 B 1 +ATOM 4065 C CE MET 163 . . F 3 50.143 65.568 14.809 1 46.43 ? CE MET 163 B 1 +ATOM 4066 N N GLN 164 . . F 3 55.587 64.186 11.483 1 45.05 ? N GLN 164 B 1 +ATOM 4067 C CA GLN 164 . . F 3 56.25 63.059 10.807 1 43.95 ? CA GLN 164 B 1 +ATOM 4068 C C GLN 164 . . F 3 55.277 61.874 10.714 1 38.8 ? C GLN 164 B 1 +ATOM 4069 O O GLN 164 . . F 3 54.162 61.981 11.192 1 38.75 ? O GLN 164 B 1 +ATOM 4070 C CB GLN 164 . . F 3 57.496 62.639 11.615 1 48.68 ? CB GLN 164 B 1 +ATOM 4071 C CG GLN 164 . . F 3 58.425 61.637 10.902 1 53.71 ? CG GLN 164 B 1 +ATOM 4072 C CD GLN 164 . . F 3 59.448 60.94 11.809 1 55 ? CD GLN 164 B 1 +ATOM 4073 O OE1 GLN 164 . . F 3 59.585 59.718 11.753 1 55 ? OE1 GLN 164 B 1 +ATOM 4074 N NE2 GLN 164 . . F 3 60.168 61.701 12.63 1 54.88 ? NE2 GLN 164 B 1 +ATOM 4075 N N ILE 165 . . F 3 55.668 60.766 10.087 1 39.47 ? N ILE 165 B 1 +ATOM 4076 C CA ILE 165 . . F 3 54.848 59.541 10.067 1 38.7 ? CA ILE 165 B 1 +ATOM 4077 C C ILE 165 . . F 3 55.505 58.363 9.356 1 42.11 ? C ILE 165 B 1 +ATOM 4078 O O ILE 165 . . F 3 56.317 58.519 8.432 1 40.68 ? O ILE 165 B 1 +ATOM 4079 C CB ILE 165 . . F 3 53.459 59.695 9.359 1 37.04 ? CB ILE 165 B 1 +ATOM 4080 C CG1 ILE 165 . . F 3 53.525 60.791 8.302 1 38.07 ? CG1 ILE 165 B 1 +ATOM 4081 C CG2 ILE 165 . . F 3 52.397 59.929 10.39 1 31.08 ? CG2 ILE 165 B 1 +ATOM 4082 C CD1 ILE 165 . . F 3 52.279 60.817 7.436 1 33.42 ? CD1 ILE 165 B 1 +ATOM 4083 N N LYS 166 . . F 3 55.144 57.16 9.798 1 43.75 ? N LYS 166 B 1 +ATOM 4084 C CA LYS 166 . . F 3 55.686 55.965 9.17 1 47.5 ? CA LYS 166 B 1 +ATOM 4085 C C LYS 166 . . F 3 54.65 55.228 8.317 1 44.84 ? C LYS 166 B 1 +ATOM 4086 O O LYS 166 . . F 3 53.716 54.611 8.843 1 50.95 ? O LYS 166 B 1 +ATOM 4087 C CB LYS 166 . . F 3 56.245 55.005 10.245 1 47.59 ? CB LYS 166 B 1 +ATOM 4088 C CG LYS 166 . . F 3 57.686 55.344 10.697 1 49.51 ? CG LYS 166 B 1 +ATOM 4089 C CD LYS 166 . . F 3 58.351 54.263 11.567 1 46.92 ? CD LYS 166 B 1 +ATOM 4090 C CE LYS 166 . . F 3 59.844 54.562 11.843 1 45.09 ? CE LYS 166 B 1 +ATOM 4091 N NZ LYS 166 . . F 3 60.114 55.861 12.545 1 42.81 ? NZ LYS 166 B 1 +ATOM 4092 N N ILE 167 . . F 3 54.787 55.324 6.996 1 42.84 ? N ILE 167 B 1 +ATOM 4093 C CA ILE 167 . . F 3 53.883 54.597 6.088 1 37.44 ? CA ILE 167 B 1 +ATOM 4094 C C ILE 167 . . F 3 54.693 54.168 4.864 1 33.72 ? C ILE 167 B 1 +ATOM 4095 O O ILE 167 . . F 3 55.668 54.814 4.513 1 28.89 ? O ILE 167 B 1 +ATOM 4096 C CB ILE 167 . . F 3 52.654 55.497 5.634 1 28.54 ? CB ILE 167 B 1 +ATOM 4097 C CG1 ILE 167 . . F 3 51.65 54.67 4.83 1 16.11 ? CG1 ILE 167 B 1 +ATOM 4098 C CG2 ILE 167 . . F 3 53.118 56.624 4.818 1 23.25 ? CG2 ILE 167 B 1 +ATOM 4099 C CD1 ILE 167 . . F 3 50.659 53.871 5.696 1 18.41 ? CD1 ILE 167 B 1 +ATOM 4100 N N THR 168 . . F 3 54.336 53.032 4.283 1 30.38 ? N THR 168 B 1 +ATOM 4101 C CA THR 168 . . F 3 55.007 52.518 3.096 1 29.2 ? CA THR 168 B 1 +ATOM 4102 C C THR 168 . . F 3 54.283 53.04 1.879 1 28.14 ? C THR 168 B 1 +ATOM 4103 O O THR 168 . . F 3 53.057 53.222 1.946 1 29.74 ? O THR 168 B 1 +ATOM 4104 C CB THR 168 . . F 3 54.975 50.942 3.031 1 34.9 ? CB THR 168 B 1 +ATOM 4105 O OG1 THR 168 . . F 3 53.696 50.484 3.52 1 38.08 ? OG1 THR 168 B 1 +ATOM 4106 C CG2 THR 168 . . F 3 56.127 50.314 3.84 1 31.41 ? CG2 THR 168 B 1 +ATOM 4107 N N ARG 169 . . F 3 54.996 53.268 0.773 1 18.87 ? N ARG 169 B 1 +ATOM 4108 C CA ARG 169 . . F 3 54.295 53.668 -0.445 1 15.33 ? CA ARG 169 B 1 +ATOM 4109 C C ARG 169 . . F 3 53.244 52.57 -0.811 1 17.77 ? C ARG 169 B 1 +ATOM 4110 O O ARG 169 . . F 3 52.151 52.828 -1.386 1 16.18 ? O ARG 169 B 1 +ATOM 4111 C CB ARG 169 . . F 3 55.295 53.852 -1.577 1 16.77 ? CB ARG 169 B 1 +ATOM 4112 C CG ARG 169 . . F 3 56.111 55.106 -1.384 1 29.63 ? CG ARG 169 B 1 +ATOM 4113 C CD ARG 169 . . F 3 57.513 54.87 -0.805 1 36.28 ? CD ARG 169 B 1 +ATOM 4114 N NE ARG 169 . . F 3 58.067 56.128 -0.303 1 41.15 ? NE ARG 169 B 1 +ATOM 4115 C CZ ARG 169 . . F 3 59.2 56.238 0.379 1 44.31 ? CZ ARG 169 B 1 +ATOM 4116 N NH1 ARG 169 . . F 3 59.92 55.159 0.635 1 44.6 ? NH1 ARG 169 B 1 +ATOM 4117 N NH2 ARG 169 . . F 3 59.588 57.419 0.85 1 43.74 ? NH2 ARG 169 B 1 +ATOM 4118 N N GLN 170 . . F 3 53.574 51.34 -0.424 1 12.48 ? N GLN 170 B 1 +ATOM 4119 C CA GLN 170 . . F 3 52.676 50.217 -0.597 1 13.36 ? CA GLN 170 B 1 +ATOM 4120 C C GLN 170 . . F 3 51.343 50.597 0.016 1 16.41 ? C GLN 170 B 1 +ATOM 4121 O O GLN 170 . . F 3 50.29 50.573 -0.66 1 29.23 ? O GLN 170 B 1 +ATOM 4122 C CB GLN 170 . . F 3 53.182 48.947 0.139 1 35.91 ? CB GLN 170 B 1 +ATOM 4123 C CG GLN 170 . . F 3 54.393 48.133 -0.4 1 43.72 ? CG GLN 170 B 1 +ATOM 4124 C CD GLN 170 . . F 3 54.011 47.032 -1.403 1 48.2 ? CD GLN 170 B 1 +ATOM 4125 O OE1 GLN 170 . . F 3 52.829 46.673 -1.56 1 46.41 ? OE1 GLN 170 B 1 +ATOM 4126 N NE2 GLN 170 . . F 3 55.022 46.49 -2.083 1 40.12 ? NE2 GLN 170 B 1 +ATOM 4127 N N GLU 171 . . F 3 51.4 50.979 1.297 1 8.46 ? N GLU 171 B 1 +ATOM 4128 C CA GLU 171 . . F 3 50.146 51.217 2.005 1 15.86 ? CA GLU 171 B 1 +ATOM 4129 C C GLU 171 . . F 3 49.494 52.503 1.589 1 13.8 ? C GLU 171 B 1 +ATOM 4130 O O GLU 171 . . F 3 48.265 52.55 1.483 1 13.97 ? O GLU 171 B 1 +ATOM 4131 C CB GLU 171 . . F 3 50.369 51.183 3.557 1 25.85 ? CB GLU 171 B 1 +ATOM 4132 C CG GLU 171 . . F 3 49.887 49.804 4.204 1 28.28 ? CG GLU 171 B 1 +ATOM 4133 C CD GLU 171 . . F 3 49.919 49.711 5.761 1 32.91 ? CD GLU 171 B 1 +ATOM 4134 O OE1 GLU 171 . . F 3 51.027 49.557 6.313 1 29.09 ? OE1 GLU 171 B 1 +ATOM 4135 O OE2 GLU 171 . . F 3 48.854 49.779 6.431 1 23.53 ? OE2 GLU 171 B 1 +ATOM 4136 N N ILE 172 . . F 3 50.261 53.551 1.341 1 12.08 ? N ILE 172 B 1 +ATOM 4137 C CA ILE 172 . . F 3 49.581 54.722 0.807 1 20.67 ? CA ILE 172 B 1 +ATOM 4138 C C ILE 172 . . F 3 48.809 54.228 -0.436 1 19.31 ? C ILE 172 B 1 +ATOM 4139 O O ILE 172 . . F 3 47.63 54.596 -0.614 1 15.43 ? O ILE 172 B 1 +ATOM 4140 C CB ILE 172 . . F 3 50.589 55.817 0.411 1 12.92 ? CB ILE 172 B 1 +ATOM 4141 C CG1 ILE 172 . . F 3 51.058 56.553 1.663 1 6 ? CG1 ILE 172 B 1 +ATOM 4142 C CG2 ILE 172 . . F 3 49.94 56.812 -0.497 1 6 ? CG2 ILE 172 B 1 +ATOM 4143 C CD1 ILE 172 . . F 3 52.449 57.085 1.423 1 8.92 ? CD1 ILE 172 B 1 +ATOM 4144 N N GLY 173 . . F 3 49.462 53.344 -1.213 1 11.07 ? N GLY 173 B 1 +ATOM 4145 C CA GLY 173 . . F 3 48.878 52.73 -2.393 1 9.77 ? CA GLY 173 B 1 +ATOM 4146 C C GLY 173 . . F 3 47.495 52.089 -2.152 1 12.47 ? C GLY 173 B 1 +ATOM 4147 O O GLY 173 . . F 3 46.672 52.043 -3.081 1 21.44 ? O GLY 173 B 1 +ATOM 4148 N N GLN 174 . . F 3 47.186 51.591 -0.954 1 8.06 ? N GLN 174 B 1 +ATOM 4149 C CA GLN 174 . . F 3 45.877 50.963 -0.764 1 6.47 ? CA GLN 174 B 1 +ATOM 4150 C C GLN 174 . . F 3 44.845 51.812 -0.097 1 9.09 ? C GLN 174 B 1 +ATOM 4151 O O GLN 174 . . F 3 43.764 51.343 0.153 1 20.74 ? O GLN 174 B 1 +ATOM 4152 C CB GLN 174 . . F 3 46.039 49.695 0.018 1 25.19 ? CB GLN 174 B 1 +ATOM 4153 C CG GLN 174 . . F 3 46.862 48.735 -0.771 1 35.9 ? CG GLN 174 B 1 +ATOM 4154 C CD GLN 174 . . F 3 47.447 47.651 0.075 1 39.18 ? CD GLN 174 B 1 +ATOM 4155 O OE1 GLN 174 . . F 3 47.793 47.877 1.241 1 42.67 ? OE1 GLN 174 B 1 +ATOM 4156 N NE2 GLN 174 . . F 3 47.576 46.461 -0.501 1 39.84 ? NE2 GLN 174 B 1 +ATOM 4157 N N ILE 175 . . F 3 45.187 53.061 0.19 1 22.9 ? N ILE 175 B 1 +ATOM 4158 C CA ILE 175 . . F 3 44.27 54.054 0.761 1 23.85 ? CA ILE 175 B 1 +ATOM 4159 C C ILE 175 . . F 3 43.796 54.894 -0.417 1 18.76 ? C ILE 175 B 1 +ATOM 4160 O O ILE 175 . . F 3 42.598 55.052 -0.649 1 21.28 ? O ILE 175 B 1 +ATOM 4161 C CB ILE 175 . . F 3 44.998 54.997 1.823 1 25.26 ? CB ILE 175 B 1 +ATOM 4162 C CG1 ILE 175 . . F 3 45.595 54.171 2.949 1 19.72 ? CG1 ILE 175 B 1 +ATOM 4163 C CG2 ILE 175 . . F 3 43.989 55.933 2.494 1 18.98 ? CG2 ILE 175 B 1 +ATOM 4164 C CD1 ILE 175 . . F 3 46.489 54.943 3.821 1 22.33 ? CD1 ILE 175 B 1 +ATOM 4165 N N VAL 176 . . F 3 44.777 55.441 -1.133 1 9.21 ? N VAL 176 B 1 +ATOM 4166 C CA VAL 176 . . F 3 44.559 56.259 -2.31 1 12.86 ? CA VAL 176 B 1 +ATOM 4167 C C VAL 176 . . F 3 44.077 55.399 -3.489 1 18.75 ? C VAL 176 B 1 +ATOM 4168 O O VAL 176 . . F 3 43.288 55.872 -4.328 1 28.75 ? O VAL 176 B 1 +ATOM 4169 C CB VAL 176 . . F 3 45.888 57.017 -2.672 1 26.09 ? CB VAL 176 B 1 +ATOM 4170 C CG1 VAL 176 . . F 3 45.826 57.599 -4.06 1 33.4 ? CG1 VAL 176 B 1 +ATOM 4171 C CG2 VAL 176 . . F 3 46.07 58.211 -1.734 1 28.55 ? CG2 VAL 176 B 1 +ATOM 4172 N N GLY 177 . . F 3 44.532 54.15 -3.573 1 21.8 ? N GLY 177 B 1 +ATOM 4173 C CA GLY 177 . . F 3 44.062 53.269 -4.64 1 20.39 ? CA GLY 177 B 1 +ATOM 4174 C C GLY 177 . . F 3 44.802 53.414 -5.959 1 24.52 ? C GLY 177 B 1 +ATOM 4175 O O GLY 177 . . F 3 44.238 53.71 -7.033 1 28.43 ? O GLY 177 B 1 +ATOM 4176 N N CYS 178 . . F 3 46.1 53.196 -5.876 1 17.13 ? N CYS 178 B 1 +ATOM 4177 C CA CYS 178 . . F 3 46.941 53.247 -7.025 1 21.82 ? CA CYS 178 B 1 +ATOM 4178 C C CYS 178 . . F 3 48.079 52.322 -6.611 1 25.7 ? C CYS 178 B 1 +ATOM 4179 O O CYS 178 . . F 3 47.865 51.536 -5.692 1 31.95 ? O CYS 178 B 1 +ATOM 4180 C CB CYS 178 . . F 3 47.374 54.7 -7.257 1 20.48 ? CB CYS 178 B 1 +ATOM 4181 S SG CYS 178 . . F 3 48.599 55.276 -6.141 1 16.84 ? SG CYS 178 B 1 +ATOM 4182 N N SER 179 . . F 3 49.274 52.375 -7.183 1 31.13 ? N SER 179 B 1 +ATOM 4183 C CA SER 179 . . F 3 50.249 51.371 -6.769 1 30.74 ? CA SER 179 B 1 +ATOM 4184 C C SER 179 . . F 3 51.648 51.912 -6.408 1 31.06 ? C SER 179 B 1 +ATOM 4185 O O SER 179 . . F 3 52.104 52.909 -6.958 1 33.3 ? O SER 179 B 1 +ATOM 4186 C CB SER 179 . . F 3 50.335 50.352 -7.888 1 21.67 ? CB SER 179 B 1 +ATOM 4187 O OG SER 179 . . F 3 50.587 51.073 -9.08 1 22.31 ? OG SER 179 B 1 +ATOM 4188 N N ARG 180 . . F 3 52.311 51.2 -5.485 1 21.65 ? N ARG 180 B 1 +ATOM 4189 C CA ARG 180 . . F 3 53.624 51.517 -4.925 1 18.58 ? CA ARG 180 B 1 +ATOM 4190 C C ARG 180 . . F 3 54.494 52.367 -5.803 1 19.51 ? C ARG 180 B 1 +ATOM 4191 O O ARG 180 . . F 3 55.089 53.32 -5.305 1 26.75 ? O ARG 180 B 1 +ATOM 4192 C CB ARG 180 . . F 3 54.391 50.229 -4.595 1 25.48 ? CB ARG 180 B 1 +ATOM 4193 C CG ARG 180 . . F 3 55.896 50.358 -4.189 1 25.36 ? CG ARG 180 B 1 +ATOM 4194 C CD ARG 180 . . F 3 56.785 49.704 -5.263 1 28.95 ? CD ARG 180 B 1 +ATOM 4195 N NE ARG 180 . . F 3 56.224 48.398 -5.644 1 31.11 ? NE ARG 180 B 1 +ATOM 4196 C CZ ARG 180 . . F 3 56.695 47.602 -6.603 1 36.39 ? CZ ARG 180 B 1 +ATOM 4197 N NH1 ARG 180 . . F 3 57.763 47.956 -7.321 1 34.17 ? NH1 ARG 180 B 1 +ATOM 4198 N NH2 ARG 180 . . F 3 56.097 46.437 -6.831 1 26.47 ? NH2 ARG 180 B 1 +ATOM 4199 N N GLU 181 . . F 3 54.588 52.048 -7.091 1 27.47 ? N GLU 181 B 1 +ATOM 4200 C CA GLU 181 . . F 3 55.482 52.837 -7.896 1 30.69 ? CA GLU 181 B 1 +ATOM 4201 C C GLU 181 . . F 3 54.861 54.168 -8.35 1 33.28 ? C GLU 181 B 1 +ATOM 4202 O O GLU 181 . . F 3 55.584 55.175 -8.4 1 36.38 ? O GLU 181 B 1 +ATOM 4203 C CB GLU 181 . . F 3 55.959 51.984 -9.092 1 33 ? CB GLU 181 B 1 +ATOM 4204 C CG GLU 181 . . F 3 54.976 51.468 -10.089 1 37.12 ? CG GLU 181 B 1 +ATOM 4205 C CD GLU 181 . . F 3 54.299 50.183 -9.675 1 41.4 ? CD GLU 181 B 1 +ATOM 4206 O OE1 GLU 181 . . F 3 54.664 49.109 -10.213 1 44.2 ? OE1 GLU 181 B 1 +ATOM 4207 O OE2 GLU 181 . . F 3 53.381 50.262 -8.835 1 40.74 ? OE2 GLU 181 B 1 +ATOM 4208 N N THR 182 . . F 3 53.557 54.207 -8.658 1 30.41 ? N THR 182 B 1 +ATOM 4209 C CA THR 182 . . F 3 52.921 55.478 -9.041 1 32.58 ? CA THR 182 B 1 +ATOM 4210 C C THR 182 . . F 3 52.899 56.32 -7.775 1 34.76 ? C THR 182 B 1 +ATOM 4211 O O THR 182 . . F 3 53.149 57.522 -7.789 1 33.62 ? O THR 182 B 1 +ATOM 4212 C CB THR 182 . . F 3 51.432 55.359 -9.514 1 32.86 ? CB THR 182 B 1 +ATOM 4213 O OG1 THR 182 . . F 3 51.059 53.995 -9.756 1 35.48 ? OG1 THR 182 B 1 +ATOM 4214 C CG2 THR 182 . . F 3 51.263 56.138 -10.807 1 35.28 ? CG2 THR 182 B 1 +ATOM 4215 N N VAL 183 . . F 3 52.569 55.666 -6.669 1 41.32 ? N VAL 183 B 1 +ATOM 4216 C CA VAL 183 . . F 3 52.654 56.328 -5.382 1 43.36 ? CA VAL 183 B 1 +ATOM 4217 C C VAL 183 . . F 3 54.082 56.882 -5.294 1 39.2 ? C VAL 183 B 1 +ATOM 4218 O O VAL 183 . . F 3 54.313 57.985 -4.802 1 41.26 ? O VAL 183 B 1 +ATOM 4219 C CB VAL 183 . . F 3 52.445 55.343 -4.219 1 43.44 ? CB VAL 183 B 1 +ATOM 4220 C CG1 VAL 183 . . F 3 52.669 56.085 -2.891 1 41.92 ? CG1 VAL 183 B 1 +ATOM 4221 C CG2 VAL 183 . . F 3 51.043 54.732 -4.303 1 33.99 ? CG2 VAL 183 B 1 +ATOM 4222 N N GLY 184 . . F 3 55.011 56.073 -5.8 1 27.28 ? N GLY 184 B 1 +ATOM 4223 C CA GLY 184 . . F 3 56.416 56.413 -5.845 1 25.5 ? CA GLY 184 B 1 +ATOM 4224 C C GLY 184 . . F 3 56.67 57.72 -6.566 1 31.25 ? C GLY 184 B 1 +ATOM 4225 O O GLY 184 . . F 3 56.583 58.783 -5.962 1 34.83 ? O GLY 184 B 1 +ATOM 4226 N N ARG 185 . . F 3 56.953 57.667 -7.858 1 34.77 ? N ARG 185 B 1 +ATOM 4227 C CA ARG 185 . . F 3 57.264 58.879 -8.613 1 36.7 ? CA ARG 185 B 1 +ATOM 4228 C C ARG 185 . . F 3 56.417 60.106 -8.243 1 35.62 ? C ARG 185 B 1 +ATOM 4229 O O ARG 185 . . F 3 56.922 61.227 -8.269 1 34.08 ? O ARG 185 B 1 +ATOM 4230 C CB ARG 185 . . F 3 57.136 58.558 -10.107 1 36.55 ? CB ARG 185 B 1 +ATOM 4231 C CG ARG 185 . . F 3 55.874 57.841 -10.518 1 35 ? CG ARG 185 B 1 +ATOM 4232 C CD ARG 185 . . F 3 56.056 57.178 -11.868 1 39.34 ? CD ARG 185 B 1 +ATOM 4233 N NE ARG 185 . . F 3 54.815 56.566 -12.324 1 40.91 ? NE ARG 185 B 1 +ATOM 4234 C CZ ARG 185 . . F 3 54.744 55.464 -13.065 1 37.15 ? CZ ARG 185 B 1 +ATOM 4235 N NH1 ARG 185 . . F 3 55.856 54.831 -13.444 1 32.13 ? NH1 ARG 185 B 1 +ATOM 4236 N NH2 ARG 185 . . F 3 53.546 55.006 -13.425 1 29.06 ? NH2 ARG 185 B 1 +ATOM 4237 N N ILE 186 . . F 3 55.159 59.922 -7.867 1 38.86 ? N ILE 186 B 1 +ATOM 4238 C CA ILE 186 . . F 3 54.361 61.075 -7.451 1 40.99 ? CA ILE 186 B 1 +ATOM 4239 C C ILE 186 . . F 3 54.889 61.692 -6.119 1 41.95 ? C ILE 186 B 1 +ATOM 4240 O O ILE 186 . . F 3 55.185 62.886 -6.071 1 42.2 ? O ILE 186 B 1 +ATOM 4241 C CB ILE 186 . . F 3 52.847 60.682 -7.244 1 47.45 ? CB ILE 186 B 1 +ATOM 4242 C CG1 ILE 186 . . F 3 52.233 60.168 -8.561 1 40.4 ? CG1 ILE 186 B 1 +ATOM 4243 C CG2 ILE 186 . . F 3 52.073 61.903 -6.74 1 49.6 ? CG2 ILE 186 B 1 +ATOM 4244 C CD1 ILE 186 . . F 3 52.207 61.141 -9.731 1 47.64 ? CD1 ILE 186 B 1 +ATOM 4245 N N LEU 187 . . F 3 55.038 60.882 -5.065 1 38.26 ? N LEU 187 B 1 +ATOM 4246 C CA LEU 187 . . F 3 55.463 61.351 -3.73 1 37.04 ? CA LEU 187 B 1 +ATOM 4247 C C LEU 187 . . F 3 56.674 62.264 -3.852 1 36.26 ? C LEU 187 B 1 +ATOM 4248 O O LEU 187 . . F 3 56.738 63.355 -3.27 1 32.95 ? O LEU 187 B 1 +ATOM 4249 C CB LEU 187 . . F 3 55.833 60.151 -2.819 1 31.61 ? CB LEU 187 B 1 +ATOM 4250 C CG LEU 187 . . F 3 56.004 60.245 -1.292 1 24.23 ? CG LEU 187 B 1 +ATOM 4251 C CD1 LEU 187 . . F 3 54.754 59.812 -0.61 1 18.62 ? CD1 LEU 187 B 1 +ATOM 4252 C CD2 LEU 187 . . F 3 57.038 59.274 -0.814 1 29.55 ? CD2 LEU 187 B 1 +ATOM 4253 N N LYS 188 . . F 3 57.635 61.779 -4.625 1 35.43 ? N LYS 188 B 1 +ATOM 4254 C CA LYS 188 . . F 3 58.869 62.496 -4.868 1 41.66 ? CA LYS 188 B 1 +ATOM 4255 C C LYS 188 . . F 3 58.475 63.858 -5.447 1 40.97 ? C LYS 188 B 1 +ATOM 4256 O O LYS 188 . . F 3 58.894 64.879 -4.91 1 37.09 ? O LYS 188 B 1 +ATOM 4257 C CB LYS 188 . . F 3 59.744 61.702 -5.867 1 43.86 ? CB LYS 188 B 1 +ATOM 4258 C CG LYS 188 . . F 3 61.249 62.046 -5.919 1 40.33 ? CG LYS 188 B 1 +ATOM 4259 C CD LYS 188 . . F 3 62.052 61.308 -4.862 1 37.47 ? CD LYS 188 B 1 +ATOM 4260 C CE LYS 188 . . F 3 61.807 59.787 -4.998 1 47.66 ? CE LYS 188 B 1 +ATOM 4261 N NZ LYS 188 . . F 3 61.869 59.23 -6.412 1 36.95 ? NZ LYS 188 B 1 +ATOM 4262 N N MET 189 . . F 3 57.638 63.877 -6.492 1 40.16 ? N MET 189 B 1 +ATOM 4263 C CA MET 189 . . F 3 57.172 65.124 -7.106 1 38.35 ? CA MET 189 B 1 +ATOM 4264 C C MET 189 . . F 3 56.513 66.071 -6.091 1 39.66 ? C MET 189 B 1 +ATOM 4265 O O MET 189 . . F 3 55.956 67.104 -6.468 1 43.9 ? O MET 189 B 1 +ATOM 4266 C CB MET 189 . . F 3 56.161 64.831 -8.198 1 43.69 ? CB MET 189 B 1 +ATOM 4267 C CG MET 189 . . F 3 56.691 63.989 -9.317 1 43.93 ? CG MET 189 B 1 +ATOM 4268 S SD MET 189 . . F 3 55.268 63.547 -10.339 1 51.99 ? SD MET 189 B 1 +ATOM 4269 C CE MET 189 . . F 3 56.1 63.229 -11.881 1 46.57 ? CE MET 189 B 1 +ATOM 4270 N N LEU 190 . . F 3 56.539 65.681 -4.819 1 38.63 ? N LEU 190 B 1 +ATOM 4271 C CA LEU 190 . . F 3 56.041 66.456 -3.7 1 34.94 ? CA LEU 190 B 1 +ATOM 4272 C C LEU 190 . . F 3 57.226 66.995 -2.959 1 33.73 ? C LEU 190 B 1 +ATOM 4273 O O LEU 190 . . F 3 57.23 68.144 -2.554 1 31.32 ? O LEU 190 B 1 +ATOM 4274 C CB LEU 190 . . F 3 55.235 65.581 -2.77 1 32.64 ? CB LEU 190 B 1 +ATOM 4275 C CG LEU 190 . . F 3 54.063 65.045 -3.569 1 35.13 ? CG LEU 190 B 1 +ATOM 4276 C CD1 LEU 190 . . F 3 53.464 63.856 -2.901 1 33.11 ? CD1 LEU 190 B 1 +ATOM 4277 C CD2 LEU 190 . . F 3 53.072 66.154 -3.731 1 27.12 ? CD2 LEU 190 B 1 +ATOM 4278 N N GLU 191 . . F 3 58.217 66.136 -2.755 1 38.97 ? N GLU 191 B 1 +ATOM 4279 C CA GLU 191 . . F 3 59.443 66.529 -2.076 1 45.76 ? CA GLU 191 B 1 +ATOM 4280 C C GLU 191 . . F 3 60.012 67.655 -2.931 1 48.67 ? C GLU 191 B 1 +ATOM 4281 O O GLU 191 . . F 3 60.276 68.753 -2.437 1 49.59 ? O GLU 191 B 1 +ATOM 4282 C CB GLU 191 . . F 3 60.431 65.318 -1.992 1 50.13 ? CB GLU 191 B 1 +ATOM 4283 C CG GLU 191 . . F 3 61.186 65.114 -0.604 1 53.77 ? CG GLU 191 B 1 +ATOM 4284 C CD GLU 191 . . F 3 62.091 63.835 -0.466 1 54.77 ? CD GLU 191 B 1 +ATOM 4285 O OE1 GLU 191 . . F 3 63.248 63.964 0.016 1 46.67 ? OE1 GLU 191 B 1 +ATOM 4286 O OE2 GLU 191 . . F 3 61.648 62.703 -0.811 1 55 ? OE2 GLU 191 B 1 +ATOM 4287 N N ASP 192 . . F 3 60.153 67.379 -4.231 1 50.03 ? N ASP 192 B 1 +ATOM 4288 C CA ASP 192 . . F 3 60.635 68.362 -5.212 1 47.15 ? CA ASP 192 B 1 +ATOM 4289 C C ASP 192 . . F 3 59.772 69.611 -5.031 1 47.27 ? C ASP 192 B 1 +ATOM 4290 O O ASP 192 . . F 3 60.178 70.615 -4.428 1 38.77 ? O ASP 192 B 1 +ATOM 4291 C CB ASP 192 . . F 3 60.471 67.809 -6.65 1 38.43 ? CB ASP 192 B 1 +ATOM 4292 C CG ASP 192 . . F 3 61.761 67.826 -7.448 1 38.49 ? CG ASP 192 B 1 +ATOM 4293 O OD1 ASP 192 . . F 3 61.719 67.575 -8.669 1 43.61 ? OD1 ASP 192 B 1 +ATOM 4294 O OD2 ASP 192 . . F 3 62.828 68.08 -6.851 1 52.1 ? OD2 ASP 192 B 1 +ATOM 4295 N N GLN 193 . . F 3 58.535 69.493 -5.502 1 46.12 ? N GLN 193 B 1 +ATOM 4296 C CA GLN 193 . . F 3 57.569 70.559 -5.404 1 40.91 ? CA GLN 193 B 1 +ATOM 4297 C C GLN 193 . . F 3 57.729 71.21 -4.028 1 41.74 ? C GLN 193 B 1 +ATOM 4298 O O GLN 193 . . F 3 57.405 72.373 -3.851 1 48.75 ? O GLN 193 B 1 +ATOM 4299 C CB GLN 193 . . F 3 56.195 69.958 -5.602 1 48.51 ? CB GLN 193 B 1 +ATOM 4300 C CG GLN 193 . . F 3 55.114 70.958 -5.956 1 55 ? CG GLN 193 B 1 +ATOM 4301 C CD GLN 193 . . F 3 53.752 70.303 -5.981 1 55 ? CD GLN 193 B 1 +ATOM 4302 O OE1 GLN 193 . . F 3 52.772 70.876 -6.472 1 55 ? OE1 GLN 193 B 1 +ATOM 4303 N NE2 GLN 193 . . F 3 53.684 69.081 -5.45 1 55 ? NE2 GLN 193 B 1 +ATOM 4304 N N ASN 194 . . F 3 58.198 70.418 -3.059 1 43.98 ? N ASN 194 B 1 +ATOM 4305 C CA ASN 194 . . F 3 58.579 70.871 -1.718 1 47.59 ? CA ASN 194 B 1 +ATOM 4306 C C ASN 194 . . F 3 57.457 70.854 -0.669 1 47.71 ? C ASN 194 B 1 +ATOM 4307 O O ASN 194 . . F 3 57.616 71.614 0.287 1 54.83 ? O ASN 194 B 1 +ATOM 4308 C CB ASN 194 . . F 3 59.143 72.282 -1.774 1 50.86 ? CB ASN 194 B 1 +ATOM 4309 C CG ASN 194 . . F 3 60.604 72.282 -2.039 1 55 ? CG ASN 194 B 1 +ATOM 4310 O OD1 ASN 194 . . F 3 61.114 72.928 -2.971 1 55 ? OD1 ASN 194 B 1 +ATOM 4311 N ND2 ASN 194 . . F 3 61.313 71.54 -1.198 1 51.89 ? ND2 ASN 194 B 1 +ATOM 4312 N N LEU 195 . . F 3 56.366 70.091 -0.707 1 49.01 ? N LEU 195 B 1 +ATOM 4313 C CA LEU 195 . . F 3 55.512 70.215 0.484 1 48.13 ? CA LEU 195 B 1 +ATOM 4314 C C LEU 195 . . F 3 55.727 69.072 1.525 1 48.85 ? C LEU 195 B 1 +ATOM 4315 O O LEU 195 . . F 3 55.096 69.051 2.584 1 47.31 ? O LEU 195 B 1 +ATOM 4316 C CB LEU 195 . . F 3 54.031 70.276 0.061 1 46.71 ? CB LEU 195 B 1 +ATOM 4317 C CG LEU 195 . . F 3 53.349 69.173 -0.748 1 50.73 ? CG LEU 195 B 1 +ATOM 4318 C CD1 LEU 195 . . F 3 53.373 67.801 -0.054 1 55 ? CD1 LEU 195 B 1 +ATOM 4319 C CD2 LEU 195 . . F 3 51.904 69.609 -0.895 1 46.79 ? CD2 LEU 195 B 1 +ATOM 4320 N N ILE 196 . . F 3 56.634 68.141 1.229 1 49.61 ? N ILE 196 B 1 +ATOM 4321 C CA ILE 196 . . F 3 56.953 67.025 2.135 1 47.78 ? CA ILE 196 B 1 +ATOM 4322 C C ILE 196 . . F 3 58.4 66.625 1.91 1 49.78 ? C ILE 196 B 1 +ATOM 4323 O O ILE 196 . . F 3 58.986 67.026 0.917 1 43.69 ? O ILE 196 B 1 +ATOM 4324 C CB ILE 196 . . F 3 56.091 65.742 1.865 1 46.51 ? CB ILE 196 B 1 +ATOM 4325 C CG1 ILE 196 . . F 3 56.503 64.616 2.822 1 41.92 ? CG1 ILE 196 B 1 +ATOM 4326 C CG2 ILE 196 . . F 3 56.347 65.223 0.446 1 43.91 ? CG2 ILE 196 B 1 +ATOM 4327 C CD1 ILE 196 . . F 3 55.802 63.289 2.591 1 33.72 ? CD1 ILE 196 B 1 +ATOM 4328 N N SER 197 . . F 3 58.957 65.851 2.837 1 48.99 ? N SER 197 B 1 +ATOM 4329 C CA SER 197 . . F 3 60.305 65.27 2.742 1 48.63 ? CA SER 197 B 1 +ATOM 4330 C C SER 197 . . F 3 60.117 63.795 3.174 1 49.79 ? C SER 197 B 1 +ATOM 4331 O O SER 197 . . F 3 59.284 63.55 4.059 1 53.36 ? O SER 197 B 1 +ATOM 4332 C CB SER 197 . . F 3 61.279 66.01 3.697 1 50.39 ? CB SER 197 B 1 +ATOM 4333 O OG SER 197 . . F 3 61.608 67.334 3.256 1 48.61 ? OG SER 197 B 1 +ATOM 4334 N N ALA 198 . . F 3 60.828 62.825 2.575 1 43.28 ? N ALA 198 B 1 +ATOM 4335 C CA ALA 198 . . F 3 60.637 61.415 2.956 1 39.32 ? CA ALA 198 B 1 +ATOM 4336 C C ALA 198 . . F 3 61.842 60.507 2.692 1 43.21 ? C ALA 198 B 1 +ATOM 4337 O O ALA 198 . . F 3 62.731 60.797 1.869 1 40.26 ? O ALA 198 B 1 +ATOM 4338 C CB ALA 198 . . F 3 59.431 60.851 2.225 1 29.81 ? CB ALA 198 B 1 +ATOM 4339 N N HIS 199 . . F 3 61.817 59.379 3.408 1 49.57 ? N HIS 199 B 1 +ATOM 4340 C CA HIS 199 . . F 3 62.865 58.335 3.442 1 49.87 ? CA HIS 199 B 1 +ATOM 4341 C C HIS 199 . . F 3 62.328 57.303 4.517 1 46.31 ? C HIS 199 B 1 +ATOM 4342 O O HIS 199 . . F 3 62.615 57.443 5.725 1 47.21 ? O HIS 199 B 1 +ATOM 4343 C CB HIS 199 . . F 3 64.201 59.055 3.858 1 49.82 ? CB HIS 199 B 1 +ATOM 4344 C CG HIS 199 . . F 3 65.492 58.28 3.69 1 49.46 ? CG HIS 199 B 1 +ATOM 4345 N ND1 HIS 199 . . F 3 66.223 57.792 4.761 1 47.28 ? ND1 HIS 199 B 1 +ATOM 4346 C CD2 HIS 199 . . F 3 66.227 57.991 2.586 1 49.96 ? CD2 HIS 199 B 1 +ATOM 4347 C CE1 HIS 199 . . F 3 67.346 57.247 4.328 1 42.58 ? CE1 HIS 199 B 1 +ATOM 4348 N NE2 HIS 199 . . F 3 67.374 57.355 3.01 1 43.95 ? NE2 HIS 199 B 1 +ATOM 4349 N N GLY 200 . . F 3 61.501 56.333 4.075 1 40.1 ? N GLY 200 B 1 +ATOM 4350 C CA GLY 200 . . F 3 60.906 55.308 4.941 1 27.33 ? CA GLY 200 B 1 +ATOM 4351 C C GLY 200 . . F 3 59.804 55.903 5.808 1 34.99 ? C GLY 200 B 1 +ATOM 4352 O O GLY 200 . . F 3 58.694 55.374 5.952 1 36.63 ? O GLY 200 B 1 +ATOM 4353 N N LYS 201 . . F 3 60.166 56.999 6.46 1 42.07 ? N LYS 201 B 1 +ATOM 4354 C CA LYS 201 . . F 3 59.255 57.809 7.245 1 44.42 ? CA LYS 201 B 1 +ATOM 4355 C C LYS 201 . . F 3 58.84 58.965 6.324 1 44.63 ? C LYS 201 B 1 +ATOM 4356 O O LYS 201 . . F 3 59.532 59.247 5.341 1 49.47 ? O LYS 201 B 1 +ATOM 4357 C CB LYS 201 . . F 3 59.985 58.344 8.479 1 48.26 ? CB LYS 201 B 1 +ATOM 4358 C CG LYS 201 . . F 3 61.251 59.136 8.167 1 46.18 ? CG LYS 201 B 1 +ATOM 4359 C CD LYS 201 . . F 3 61.7 59.966 9.38 1 50.97 ? CD LYS 201 B 1 +ATOM 4360 C CE LYS 201 . . F 3 62.794 60.968 8.965 1 55 ? CE LYS 201 B 1 +ATOM 4361 N NZ LYS 201 . . F 3 63.147 62.022 9.974 1 46.95 ? NZ LYS 201 B 1 +ATOM 4362 N N THR 202 . . F 3 57.756 59.658 6.623 1 42.59 ? N THR 202 B 1 +ATOM 4363 C CA THR 202 . . F 3 57.34 60.779 5.784 1 45.69 ? CA THR 202 B 1 +ATOM 4364 C C THR 202 . . F 3 57.162 62.028 6.632 1 45.33 ? C THR 202 B 1 +ATOM 4365 O O THR 202 . . F 3 56.354 62.056 7.567 1 48.13 ? O THR 202 B 1 +ATOM 4366 C CB THR 202 . . F 3 56.002 60.461 5.045 1 45.9 ? CB THR 202 B 1 +ATOM 4367 O OG1 THR 202 . . F 3 55.101 59.797 5.945 1 47.06 ? OG1 THR 202 B 1 +ATOM 4368 C CG2 THR 202 . . F 3 56.269 59.591 3.815 1 45.47 ? CG2 THR 202 B 1 +ATOM 4369 N N ILE 203 . . F 3 57.964 63.045 6.337 1 38.83 ? N ILE 203 B 1 +ATOM 4370 C CA ILE 203 . . F 3 57.878 64.274 7.088 1 34.33 ? CA ILE 203 B 1 +ATOM 4371 C C ILE 203 . . F 3 57.026 65.299 6.378 1 36.07 ? C ILE 203 B 1 +ATOM 4372 O O ILE 203 . . F 3 57.44 65.905 5.369 1 30.72 ? O ILE 203 B 1 +ATOM 4373 C CB ILE 203 . . F 3 59.219 64.928 7.304 1 39.32 ? CB ILE 203 B 1 +ATOM 4374 C CG1 ILE 203 . . F 3 60.18 63.98 8.028 1 39.91 ? CG1 ILE 203 B 1 +ATOM 4375 C CG2 ILE 203 . . F 3 58.985 66.201 8.105 1 37.86 ? CG2 ILE 203 B 1 +ATOM 4376 C CD1 ILE 203 . . F 3 60.711 62.811 7.197 1 35.03 ? CD1 ILE 203 B 1 +ATOM 4377 N N VAL 204 . . F 3 55.822 65.479 6.898 1 36.43 ? N VAL 204 B 1 +ATOM 4378 C CA VAL 204 . . F 3 54.939 66.465 6.325 1 44.34 ? CA VAL 204 B 1 +ATOM 4379 C C VAL 204 . . F 3 55.54 67.795 6.706 1 47.25 ? C VAL 204 B 1 +ATOM 4380 O O VAL 204 . . F 3 56.21 67.871 7.742 1 53.56 ? O VAL 204 B 1 +ATOM 4381 C CB VAL 204 . . F 3 53.52 66.44 6.924 1 47.34 ? CB VAL 204 B 1 +ATOM 4382 C CG1 VAL 204 . . F 3 53.528 67.148 8.292 1 38.4 ? CG1 VAL 204 B 1 +ATOM 4383 C CG2 VAL 204 . . F 3 52.546 67.137 5.979 1 48.02 ? CG2 VAL 204 B 1 +ATOM 4384 N N VAL 205 . . F 3 55.358 68.816 5.878 1 45.13 ? N VAL 205 B 1 +ATOM 4385 C CA VAL 205 . . F 3 55.792 70.158 6.279 1 44.73 ? CA VAL 205 B 1 +ATOM 4386 C C VAL 205 . . F 3 54.468 70.987 6.231 1 44.05 ? C VAL 205 B 1 +ATOM 4387 O O VAL 205 . . F 3 53.372 70.375 6.486 1 31.19 ? O VAL 205 B 1 +ATOM 4388 C CB VAL 205 . . F 3 56.902 70.804 5.278 1 33.7 ? CB VAL 205 B 1 +ATOM 4389 C CG1 VAL 205 . . F 3 57.437 72.095 5.886 1 36.67 ? CG1 VAL 205 B 1 +ATOM 4390 C CG2 VAL 205 . . F 3 58.117 69.915 5.115 1 27.64 ? CG2 VAL 205 B 1 +HETATM 4391 P P CMP . . . G 4 23.446 66.059 7.025 1 21.21 ? P CMP 762 A 1 +HETATM 4392 O O1P CMP . . . G 4 24.861 65.799 6.725 1 16.95 ? O1P CMP 762 A 1 +HETATM 4393 O O2P CMP . . . G 4 23.112 66.994 8.149 1 26.22 ? O2P CMP 762 A 1 +HETATM 4394 O O5' CMP . . . G 4 22.849 66.716 5.697 1 26.51 ? O5' CMP 762 A 1 +HETATM 4395 C C5' CMP . . . G 4 22.696 65.967 4.459 1 24.11 ? C5' CMP 762 A 1 +HETATM 4396 C C4' CMP . . . G 4 22.122 64.593 4.72 1 19.73 ? C4' CMP 762 A 1 +HETATM 4397 O O4' CMP . . . G 4 22.43 63.679 3.642 1 19.87 ? O4' CMP 762 A 1 +HETATM 4398 C C3' CMP . . . G 4 22.777 63.849 5.855 1 23.16 ? C3' CMP 762 A 1 +HETATM 4399 O O3' CMP . . . G 4 22.698 64.643 7.044 1 16.35 ? O3' CMP 762 A 1 +HETATM 4400 C C2' CMP . . . G 4 22.15 62.475 5.657 1 15.69 ? C2' CMP 762 A 1 +HETATM 4401 C C1' CMP . . . G 4 22.386 62.324 4.137 1 24.39 ? C1' CMP 762 A 1 +HETATM 4402 N N9 CMP . . . G 4 23.619 61.624 3.714 1 12.64 ? N9 CMP 762 A 1 +HETATM 4403 C C8 CMP . . . G 4 24.903 62.073 3.841 1 22.17 ? C8 CMP 762 A 1 +HETATM 4404 N N7 CMP . . . G 4 25.821 61.231 3.387 1 20.71 ? N7 CMP 762 A 1 +HETATM 4405 C C5 CMP . . . G 4 25.086 60.156 2.92 1 13.01 ? C5 CMP 762 A 1 +HETATM 4406 C C6 CMP . . . G 4 25.475 58.919 2.309 1 14.58 ? C6 CMP 762 A 1 +HETATM 4407 N N6 CMP . . . G 4 26.765 58.591 1.967 1 12.19 ? N6 CMP 762 A 1 +HETATM 4408 N N1 CMP . . . G 4 24.497 58.04 2.025 1 9.86 ? N1 CMP 762 A 1 +HETATM 4409 C C2 CMP . . . G 4 23.221 58.389 2.273 1 10.47 ? C2 CMP 762 A 1 +HETATM 4410 N N3 CMP . . . G 4 22.727 59.528 2.798 1 18.21 ? N3 CMP 762 A 1 +HETATM 4411 C C4 CMP . . . G 4 23.721 60.378 3.112 1 15.89 ? C4 CMP 762 A 1 +HETATM 4412 P P CMP . . . H 4 30.868 44.322 10.111 1 22.81 ? P CMP 761 B 1 +HETATM 4413 O O1P CMP . . . H 4 30.249 44.78 8.824 1 17.93 ? O1P CMP 761 B 1 +HETATM 4414 O O2P CMP . . . H 4 30.231 43.185 10.844 1 18.79 ? O2P CMP 761 B 1 +HETATM 4415 O O5' CMP . . . H 4 32.366 43.895 9.809 1 13.33 ? O5' CMP 761 B 1 +HETATM 4416 C C5' CMP . . . H 4 33.274 44.8 9.251 1 17.27 ? C5' CMP 761 B 1 +HETATM 4417 C C4' CMP . . . H 4 33.284 46.017 10.078 1 16.92 ? C4' CMP 761 B 1 +HETATM 4418 O O4' CMP . . . H 4 34.091 47.063 9.52 1 19.03 ? O4' CMP 761 B 1 +HETATM 4419 C C3' CMP . . . H 4 31.951 46.686 10.283 1 16.47 ? C3' CMP 761 B 1 +HETATM 4420 O O3' CMP . . . H 4 31.094 45.72 10.901 1 15.14 ? O3' CMP 761 B 1 +HETATM 4421 C C2' CMP . . . H 4 32.444 47.944 10.985 1 12.11 ? C2' CMP 761 B 1 +HETATM 4422 C C1' CMP . . . H 4 33.587 48.307 10.004 1 20.63 ? C1' CMP 761 B 1 +HETATM 4423 N N9 CMP . . . H 4 33.317 49.131 8.805 1 18.49 ? N9 CMP 761 B 1 +HETATM 4424 C C8 CMP . . . H 4 32.66 48.826 7.627 1 19.25 ? C8 CMP 761 B 1 +HETATM 4425 N N7 CMP . . . H 4 32.732 49.773 6.71 1 15.3 ? N7 CMP 761 B 1 +HETATM 4426 C C5 CMP . . . H 4 33.45 50.775 7.339 1 22.11 ? C5 CMP 761 B 1 +HETATM 4427 C C6 CMP . . . H 4 33.878 52.048 6.92 1 19.56 ? C6 CMP 761 B 1 +HETATM 4428 N N6 CMP . . . H 4 33.651 52.576 5.73 1 29.04 ? N6 CMP 761 B 1 +HETATM 4429 N N1 CMP . . . H 4 34.576 52.78 7.802 1 25.11 ? N1 CMP 761 B 1 +HETATM 4430 C C2 CMP . . . H 4 34.827 52.273 9.053 1 22.25 ? C2 CMP 761 B 1 +HETATM 4431 N N3 CMP . . . H 4 34.479 51.128 9.56 1 7.44 ? N3 CMP 761 B 1 +HETATM 4432 C C4 CMP . . . H 4 33.791 50.404 8.646 1 22.16 ? C4 CMP 761 B 1 +HETATM 4433 O O HOH . . . I 5 45.092 62.707 -38.052 1 40.55 ? O HOH 497 C 1 +HETATM 4434 O O HOH . . . I 5 34.545 54.424 -34.074 1 46.59 ? O HOH 498 C 1 +HETATM 4435 O O HOH . . . I 5 32.083 57.72 -40.155 1 25.7 ? O HOH 499 C 1 +HETATM 4436 O O HOH . . . I 5 26.669 65.133 -35.452 1 33.79 ? O HOH 500 C 1 +HETATM 4437 O O HOH . . . I 5 21.789 72.181 -22.98 1 47.12 ? O HOH 502 C 1 +HETATM 4438 O O HOH . . . I 5 15.248 65.765 -18.568 1 13.3 ? O HOH 505 C 1 +HETATM 4439 O O HOH . . . I 5 18.102 63.64 -26.184 1 10.55 ? O HOH 506 C 1 +HETATM 4440 O O HOH . . . I 5 38.134 67.177 -36.049 1 39.67 ? O HOH 511 C 1 +HETATM 4441 O O HOH . . . I 5 6.496 75.445 -24.344 1 34.06 ? O HOH 545 C 1 +HETATM 4442 O O HOH . . . I 5 5.915 78.12 -25.57 1 50.35 ? O HOH 546 C 1 +HETATM 4443 O O HOH . . . I 5 26.503 57.806 -38.215 1 49.33 ? O HOH 561 C 1 +HETATM 4444 O O HOH . . . I 5 34.543 63.954 -34.779 1 26.3 ? O HOH 562 C 1 +HETATM 4445 O O HOH . . . I 5 40.503 54.446 -28.868 1 44.04 ? O HOH 565 C 1 +HETATM 4446 O O HOH . . . I 5 -4.406 63.698 -17.231 1 41.56 ? O HOH 568 C 1 +HETATM 4447 O O HOH . . . I 5 -3.754 71.074 -24.645 1 26.72 ? O HOH 569 C 1 +HETATM 4448 O O HOH . . . I 5 9.518 75.455 -21.479 1 41.76 ? O HOH 572 C 1 +HETATM 4449 O O HOH . . . I 5 17.844 76.245 -23.11 1 54.25 ? O HOH 573 C 1 +HETATM 4450 O O HOH . . . I 5 10.529 81.336 -25.817 1 20.78 ? O HOH 574 C 1 +HETATM 4451 O O HOH . . . I 5 19.103 72.754 -21.738 1 37.97 ? O HOH 576 C 1 +HETATM 4452 O O HOH . . . I 5 37.142 57.678 -32.298 1 44.28 ? O HOH 593 C 1 +HETATM 4453 O O HOH . . . I 5 28.559 54.589 -35.786 1 33.76 ? O HOH 594 C 1 +HETATM 4454 O O HOH . . . I 5 24.818 56.11 -35.105 1 38.87 ? O HOH 595 C 1 +HETATM 4455 O O HOH . . . I 5 6.032 71.716 -33.977 1 28.94 ? O HOH 597 C 1 +HETATM 4456 O O HOH . . . I 5 6.701 81.328 -24.221 1 32.38 ? O HOH 598 C 1 +HETATM 4457 O O HOH . . . I 5 38.755 57.279 -27.498 1 23.05 ? O HOH 600 C 1 +HETATM 4458 O O HOH . . . I 5 15.304 73.759 -12.366 1 45.91 ? O HOH 609 C 1 +HETATM 4459 O O HOH . . . I 5 19.746 75.497 -20.941 1 24.75 ? O HOH 612 C 1 +HETATM 4460 O O HOH . . . I 5 33.85 55.583 -37.595 1 38.18 ? O HOH 631 C 1 +HETATM 4461 O O HOH . . . I 5 41.052 57.278 -30.411 1 54.37 ? O HOH 635 C 1 +HETATM 4462 O O HOH . . . I 5 23.329 62.494 -35.82 1 44.05 ? O HOH 636 C 1 +HETATM 4463 O O HOH . . . I 5 16.739 74.99 -27.635 1 34.45 ? O HOH 645 C 1 +HETATM 4464 O O HOH . . . I 5 -2.747 62.236 -18.959 1 51.72 ? O HOH 652 C 1 +HETATM 4465 O O HOH . . . I 5 21.437 58.13 -27.166 1 44.51 ? O HOH 655 C 1 +HETATM 4466 O O HOH . . . I 5 20.214 58.74 -36.056 1 47.44 ? O HOH 656 C 1 +HETATM 4467 O O HOH . . . I 5 15.915 66.391 -16.034 1 44.96 ? O HOH 659 C 1 +HETATM 4468 O O HOH . . . I 5 16.874 60.354 -21.901 1 39.78 ? O HOH 660 C 1 +HETATM 4469 O O HOH . . . I 5 -6.306 64.692 -18.758 1 14.12 ? O HOH 672 C 1 +HETATM 4470 O O HOH . . . I 5 21.194 62.919 -31.519 1 55 ? O HOH 677 C 1 +HETATM 4471 O O HOH . . . I 5 20.66 75.297 -23.813 1 41.23 ? O HOH 692 C 1 +HETATM 4472 O O HOH . . . I 5 -1.234 68.669 -34.146 1 48.42 ? O HOH 699 C 1 +HETATM 4473 O O HOH . . . I 5 -4.841 71.213 -27.538 1 47.07 ? O HOH 700 C 1 +HETATM 4474 O O HOH . . . I 5 -1.095 63.024 -23.484 1 43.34 ? O HOH 701 C 1 +HETATM 4475 O O HOH . . . I 5 16.283 79.208 -26.983 1 49.4 ? O HOH 702 C 1 +HETATM 4476 O O HOH . . . I 5 19.179 59.427 -27.503 1 47.32 ? O HOH 706 C 1 +HETATM 4477 O O HOH . . . I 5 22.551 57.921 -34.154 1 55 ? O HOH 707 C 1 +HETATM 4478 O O HOH . . . I 5 22.568 54.84 -35.215 1 28.25 ? O HOH 708 C 1 +HETATM 4479 O O HOH . . . I 5 37.11 60.913 -39.945 1 20.63 ? O HOH 709 C 1 +HETATM 4480 O O HOH . . . I 5 39.915 65.768 -33.913 1 55 ? O HOH 710 C 1 +HETATM 4481 O O HOH . . . I 5 30.547 58.805 -30.327 1 32.03 ? O HOH 715 C 1 +HETATM 4482 O O HOH . . . I 5 24.361 53.539 -32.522 1 43.87 ? O HOH 724 C 1 +HETATM 4483 O O HOH . . . J 5 70.347 58.185 -8.109 1 55 ? O HOH 475 D 1 +HETATM 4484 O O HOH . . . J 5 64.471 44.79 -17.048 1 46.14 ? O HOH 476 D 1 +HETATM 4485 O O HOH . . . J 5 51.769 43.366 -8.088 1 32.45 ? O HOH 477 D 1 +HETATM 4486 O O HOH . . . J 5 53.137 40.252 -11.712 1 55 ? O HOH 478 D 1 +HETATM 4487 O O HOH . . . J 5 60.531 36.463 -9.174 1 38.78 ? O HOH 479 D 1 +HETATM 4488 O O HOH . . . J 5 58.862 36.585 -19.509 1 54.25 ? O HOH 480 D 1 +HETATM 4489 O O HOH . . . J 5 66.89 46.517 -12.427 1 27.96 ? O HOH 481 D 1 +HETATM 4490 O O HOH . . . J 5 73.157 47.205 -13.109 1 53.02 ? O HOH 482 D 1 +HETATM 4491 O O HOH . . . J 5 65.406 39.582 13.133 1 28.43 ? O HOH 485 D 1 +HETATM 4492 O O HOH . . . J 5 62.621 47.039 14.604 1 52.46 ? O HOH 486 D 1 +HETATM 4493 O O HOH . . . J 5 65.155 39.397 -1.228 1 20.94 ? O HOH 489 D 1 +HETATM 4494 O O HOH . . . J 5 46.206 49.808 -17.576 1 35.36 ? O HOH 490 D 1 +HETATM 4495 O O HOH . . . J 5 42.855 63.733 -22.373 1 33.69 ? O HOH 493 D 1 +HETATM 4496 O O HOH . . . J 5 51.508 67.455 -17.121 1 37.41 ? O HOH 512 D 1 +HETATM 4497 O O HOH . . . J 5 55.844 44.029 14.113 1 40.33 ? O HOH 517 D 1 +HETATM 4498 O O HOH . . . J 5 57.886 44.135 10.476 1 41.36 ? O HOH 518 D 1 +HETATM 4499 O O HOH . . . J 5 51.555 62.372 -24.432 1 27.58 ? O HOH 524 D 1 +HETATM 4500 O O HOH . . . J 5 43.711 56.235 -28.355 1 26.56 ? O HOH 525 D 1 +HETATM 4501 O O HOH . . . J 5 60.736 42.023 8.755 1 40.46 ? O HOH 529 D 1 +HETATM 4502 O O HOH . . . J 5 56.046 49.978 8.883 1 27.41 ? O HOH 530 D 1 +HETATM 4503 O O HOH . . . J 5 70.091 40.615 -3.93 1 22.25 ? O HOH 533 D 1 +HETATM 4504 O O HOH . . . J 5 67.001 53.08 -8.644 1 42.15 ? O HOH 534 D 1 +HETATM 4505 O O HOH . . . J 5 70.597 45.672 7.197 1 19.93 ? O HOH 535 D 1 +HETATM 4506 O O HOH . . . J 5 56.99 37.442 -11.269 1 32.19 ? O HOH 538 D 1 +HETATM 4507 O O HOH . . . J 5 65.265 35.444 -10.17 1 34.93 ? O HOH 539 D 1 +HETATM 4508 O O HOH . . . J 5 62.109 37.199 -7.114 1 52.71 ? O HOH 540 D 1 +HETATM 4509 O O HOH . . . J 5 42.794 68.731 -22.407 1 35.15 ? O HOH 547 D 1 +HETATM 4510 O O HOH . . . J 5 46.123 70.632 -24.405 1 35.29 ? O HOH 548 D 1 +HETATM 4511 O O HOH . . . J 5 67.748 49.985 -8.437 1 10.22 ? O HOH 549 D 1 +HETATM 4512 O O HOH . . . J 5 74.545 45.447 -9.233 1 51.32 ? O HOH 550 D 1 +HETATM 4513 O O HOH . . . J 5 54.585 44.617 -19.064 1 26.7 ? O HOH 551 D 1 +HETATM 4514 O O HOH . . . J 5 53.794 42.969 -10.618 1 50.8 ? O HOH 552 D 1 +HETATM 4515 O O HOH . . . J 5 49.037 44.429 -18.075 1 37.42 ? O HOH 553 D 1 +HETATM 4516 O O HOH . . . J 5 48.762 48.216 -18.826 1 27.63 ? O HOH 554 D 1 +HETATM 4517 O O HOH . . . J 5 49.442 65.308 -24.106 1 24.91 ? O HOH 556 D 1 +HETATM 4518 O O HOH . . . J 5 49.882 70.093 -21.008 1 35.27 ? O HOH 557 D 1 +HETATM 4519 O O HOH . . . J 5 43.056 66.665 -27.299 1 47.52 ? O HOH 558 D 1 +HETATM 4520 O O HOH . . . J 5 60.509 38.551 -10.754 1 46.62 ? O HOH 567 D 1 +HETATM 4521 O O HOH . . . J 5 58.263 43.649 7.952 1 45.35 ? O HOH 582 D 1 +HETATM 4522 O O HOH . . . J 5 68.602 58.415 -1.102 1 26.82 ? O HOH 584 D 1 +HETATM 4523 O O HOH . . . J 5 62.961 41.331 -17.673 1 36.46 ? O HOH 585 D 1 +HETATM 4524 O O HOH . . . J 5 65.781 42.618 -14.654 1 33.9 ? O HOH 586 D 1 +HETATM 4525 O O HOH . . . J 5 57.291 38.952 -20.892 1 45.33 ? O HOH 587 D 1 +HETATM 4526 O O HOH . . . J 5 45.117 52.569 -17.172 1 30.91 ? O HOH 588 D 1 +HETATM 4527 O O HOH . . . J 5 53.289 60.935 -18.784 1 52 ? O HOH 591 D 1 +HETATM 4528 O O HOH . . . J 5 52.176 45.995 -18.77 1 38.67 ? O HOH 601 D 1 +HETATM 4529 O O HOH . . . J 5 46.868 43.275 -9.443 1 39.72 ? O HOH 607 D 1 +HETATM 4530 O O HOH . . . J 5 43.045 64.995 -15.789 1 49.25 ? O HOH 617 D 1 +HETATM 4531 O O HOH . . . J 5 67.269 32.001 17.229 1 48.15 ? O HOH 621 D 1 +HETATM 4532 O O HOH . . . J 5 62.211 36.743 13.534 1 46.51 ? O HOH 622 D 1 +HETATM 4533 O O HOH . . . J 5 71.63 38.512 -10.357 1 46.87 ? O HOH 624 D 1 +HETATM 4534 O O HOH . . . J 5 69.132 49.442 -10.591 1 38.27 ? O HOH 626 D 1 +HETATM 4535 O O HOH . . . J 5 42.251 68.919 -19.154 1 38.7 ? O HOH 633 D 1 +HETATM 4536 O O HOH . . . J 5 67.973 57.466 -6.149 1 33.81 ? O HOH 642 D 1 +HETATM 4537 O O HOH . . . J 5 50.302 66.708 -28.579 1 42.56 ? O HOH 643 D 1 +HETATM 4538 O O HOH . . . J 5 49.016 61.067 -28.672 1 53.81 ? O HOH 644 D 1 +HETATM 4539 O O HOH . . . J 5 55.217 38.453 -8.585 1 51.32 ? O HOH 666 D 1 +HETATM 4540 O O HOH . . . J 5 55.814 43.041 -8.509 1 19.14 ? O HOH 667 D 1 +HETATM 4541 O O HOH . . . J 5 62.561 34.808 -12.282 1 30.86 ? O HOH 668 D 1 +HETATM 4542 O O HOH . . . J 5 66.797 49.407 15.098 1 55 ? O HOH 669 D 1 +HETATM 4543 O O HOH . . . J 5 56.396 41.212 -19.75 1 52.13 ? O HOH 683 D 1 +HETATM 4544 O O HOH . . . J 5 50.283 38.631 -15.757 1 35.91 ? O HOH 695 D 1 +HETATM 4545 O O HOH . . . J 5 58.305 42.736 -8.09 1 44.09 ? O HOH 696 D 1 +HETATM 4546 O O HOH . . . J 5 61.189 39.93 -7.739 1 53.41 ? O HOH 697 D 1 +HETATM 4547 O O HOH . . . J 5 68.551 53.858 -6.671 1 43.38 ? O HOH 713 D 1 +HETATM 4548 O O HOH . . . J 5 66.847 51.437 8.723 1 43.84 ? O HOH 714 D 1 +HETATM 4549 O O HOH . . . J 5 65.905 52.52 14.043 1 53.8 ? O HOH 742 D 1 +HETATM 4550 O O HOH . . . J 5 69.799 45.512 1.693 1 51.26 ? O HOH 749 D 1 +HETATM 4551 O O HOH . . . J 5 63.835 52.551 11.873 1 41.86 ? O HOH 752 D 1 +HETATM 4552 O O HOH . . . J 5 61.683 51.699 14.595 1 39.64 ? O HOH 753 D 1 +HETATM 4553 O O HOH . . . J 5 70.864 48.989 -15.635 1 55 ? O HOH 755 D 1 +HETATM 4554 O O HOH . . . K 5 67.397 35.573 10.316 1 20.55 ? O HOH 483 E 1 +HETATM 4555 O O HOH . . . K 5 67.927 39.018 11.403 1 28.29 ? O HOH 484 E 1 +HETATM 4556 O O HOH . . . K 5 63.705 52.517 -0.832 1 36.53 ? O HOH 487 E 1 +HETATM 4557 O O HOH . . . K 5 65.354 49.889 -4.492 1 49.78 ? O HOH 488 E 1 +HETATM 4558 O O HOH . . . K 5 74.697 45.4 5.86 1 44.7 ? O HOH 515 E 1 +HETATM 4559 O O HOH . . . K 5 75.656 39.879 3.425 1 32.51 ? O HOH 516 E 1 +HETATM 4560 O O HOH . . . K 5 67.795 33.325 3.865 1 46.58 ? O HOH 519 E 1 +HETATM 4561 O O HOH . . . K 5 72.727 49.11 4.087 1 29.56 ? O HOH 520 E 1 +HETATM 4562 O O HOH . . . K 5 56.084 57.66 -19.059 1 22.64 ? O HOH 521 E 1 +HETATM 4563 O O HOH . . . K 5 76.028 51.424 12 1 34.44 ? O HOH 531 E 1 +HETATM 4564 O O HOH . . . K 5 72.935 51.041 11.055 1 31.9 ? O HOH 536 E 1 +HETATM 4565 O O HOH . . . K 5 72.141 46.46 4.12 1 52 ? O HOH 537 E 1 +HETATM 4566 O O HOH . . . K 5 57.218 36.663 5.877 1 21.3 ? O HOH 543 E 1 +HETATM 4567 O O HOH . . . K 5 65.31 39.55 9.706 1 33.24 ? O HOH 544 E 1 +HETATM 4568 O O HOH . . . K 5 69.997 37.575 10.818 1 55 ? O HOH 566 E 1 +HETATM 4569 O O HOH . . . K 5 75.565 35.395 7.04 1 33.9 ? O HOH 570 E 1 +HETATM 4570 O O HOH . . . K 5 70.867 49.37 11.889 1 35.98 ? O HOH 571 E 1 +HETATM 4571 O O HOH . . . K 5 69.335 38.156 1.355 1 38.59 ? O HOH 577 E 1 +HETATM 4572 O O HOH . . . K 5 73.936 49.676 13.646 1 47.86 ? O HOH 578 E 1 +HETATM 4573 O O HOH . . . K 5 73.413 46.396 8.669 1 43.69 ? O HOH 579 E 1 +HETATM 4574 O O HOH . . . K 5 81.229 50.58 8.324 1 37.52 ? O HOH 580 E 1 +HETATM 4575 O O HOH . . . K 5 81.781 42.29 10.185 1 25.63 ? O HOH 581 E 1 +HETATM 4576 O O HOH . . . K 5 63.154 49.753 0.787 1 20.16 ? O HOH 583 E 1 +HETATM 4577 O O HOH . . . K 5 52.394 48.873 -30.007 1 53.55 ? O HOH 590 E 1 +HETATM 4578 O O HOH . . . K 5 61.104 54.976 -26.847 1 47.94 ? O HOH 604 E 1 +HETATM 4579 O O HOH . . . K 5 57.666 55.211 -26.018 1 50.15 ? O HOH 605 E 1 +HETATM 4580 O O HOH . . . K 5 60.039 55.864 -23.59 1 55 ? O HOH 606 E 1 +HETATM 4581 O O HOH . . . K 5 60.1 41.365 -5.201 1 45.95 ? O HOH 618 E 1 +HETATM 4582 O O HOH . . . K 5 70.637 38.501 14.29 1 46.42 ? O HOH 619 E 1 +HETATM 4583 O O HOH . . . K 5 73.29 40.555 14.035 1 41.72 ? O HOH 620 E 1 +HETATM 4584 O O HOH . . . K 5 57.193 39.22 8.721 1 37.63 ? O HOH 623 E 1 +HETATM 4585 O O HOH . . . K 5 66.092 50.61 -10.399 1 23.91 ? O HOH 625 E 1 +HETATM 4586 O O HOH . . . K 5 77.611 47.325 18.44 1 35.78 ? O HOH 639 E 1 +HETATM 4587 O O HOH . . . K 5 71.268 40.221 1.712 1 47 ? O HOH 640 E 1 +HETATM 4588 O O HOH . . . K 5 64.841 55.304 -2.212 1 38.46 ? O HOH 641 E 1 +HETATM 4589 O O HOH . . . K 5 60.211 47.358 -24.602 1 44.79 ? O HOH 646 E 1 +HETATM 4590 O O HOH . . . K 5 57.361 49.302 -22.833 1 33.4 ? O HOH 647 E 1 +HETATM 4591 O O HOH . . . K 5 57.9 46.482 -21.158 1 49.78 ? O HOH 684 E 1 +HETATM 4592 O O HOH . . . K 5 57.827 43.936 -4.996 1 54.36 ? O HOH 685 E 1 +HETATM 4593 O O HOH . . . K 5 80.651 48.325 11.022 1 29.52 ? O HOH 686 E 1 +HETATM 4594 O O HOH . . . K 5 79.286 51.604 13.129 1 49.66 ? O HOH 687 E 1 +HETATM 4595 O O HOH . . . K 5 80.238 44.021 6.912 1 45.95 ? O HOH 688 E 1 +HETATM 4596 O O HOH . . . K 5 60.733 33.245 7.305 1 55 ? O HOH 743 E 1 +HETATM 4597 O O HOH . . . K 5 77.556 43.536 6.417 1 53.41 ? O HOH 750 E 1 +HETATM 4598 O O HOH . . . K 5 74.125 33.302 1.512 1 55 ? O HOH 751 E 1 +HETATM 4599 O O HOH . . . K 5 58.691 40.778 -0.272 1 53.41 ? O HOH 754 E 1 +HETATM 4600 O O HOH . . . K 5 65.062 57.859 -15.43 1 51.71 ? O HOH 756 E 1 +HETATM 4601 O O HOH . . . L 5 39.601 51.8 -14.163 1 48.63 ? O HOH 491 F 1 +HETATM 4602 O O HOH . . . L 5 42.338 57.424 -18.088 1 30.52 ? O HOH 492 F 1 +HETATM 4603 O O HOH . . . L 5 40.611 68.254 -26.386 1 43.31 ? O HOH 494 F 1 +HETATM 4604 O O HOH . . . L 5 36.111 75.412 -28.364 1 44.29 ? O HOH 495 F 1 +HETATM 4605 O O HOH . . . L 5 38.325 74.842 -20.69 1 29.66 ? O HOH 496 F 1 +HETATM 4606 O O HOH . . . L 5 28.87 71.233 -37.894 1 27.7 ? O HOH 501 F 1 +HETATM 4607 O O HOH . . . L 5 20.912 72.874 -29.01 1 44.34 ? O HOH 503 F 1 +HETATM 4608 O O HOH . . . L 5 13.937 66.994 -20.653 1 23.17 ? O HOH 504 F 1 +HETATM 4609 O O HOH . . . L 5 10.104 59.707 -27.834 1 40.2 ? O HOH 507 F 1 +HETATM 4610 O O HOH . . . L 5 8.864 68.297 -31.113 1 39.94 ? O HOH 508 F 1 +HETATM 4611 O O HOH . . . L 5 7.068 68.916 -33.354 1 47.65 ? O HOH 509 F 1 +HETATM 4612 O O HOH . . . L 5 11.412 69.749 -31.428 1 17.9 ? O HOH 510 F 1 +HETATM 4613 O O HOH . . . L 5 40.64 65.256 -22.789 1 23.04 ? O HOH 513 F 1 +HETATM 4614 O O HOH . . . L 5 35.254 72.551 -20.118 1 55 ? O HOH 514 F 1 +HETATM 4615 O O HOH . . . L 5 51.575 55.673 -25.93 1 33.99 ? O HOH 522 F 1 +HETATM 4616 O O HOH . . . L 5 41.795 46.087 -19.656 1 38.63 ? O HOH 523 F 1 +HETATM 4617 O O HOH . . . L 5 15.802 70.478 -35.327 1 35.2 ? O HOH 526 F 1 +HETATM 4618 O O HOH . . . L 5 6.392 61.612 -26.066 1 23.72 ? O HOH 527 F 1 +HETATM 4619 O O HOH . . . L 5 29.124 79.776 -34.852 1 32.63 ? O HOH 528 F 1 +HETATM 4620 O O HOH . . . L 5 37.883 51.549 -24.595 1 54.07 ? O HOH 541 F 1 +HETATM 4621 O O HOH . . . L 5 34.835 50.547 -20.628 1 30.94 ? O HOH 542 F 1 +HETATM 4622 O O HOH . . . L 5 31.162 76.662 -22.119 1 55 ? O HOH 559 F 1 +HETATM 4623 O O HOH . . . L 5 31.06 70.006 -34.2 1 16.86 ? O HOH 560 F 1 +HETATM 4624 O O HOH . . . L 5 16.542 71.808 -32.219 1 21.1 ? O HOH 563 F 1 +HETATM 4625 O O HOH . . . L 5 14.867 68.245 -36.351 1 34.11 ? O HOH 564 F 1 +HETATM 4626 O O HOH . . . L 5 18.549 64.506 -40.441 1 32.89 ? O HOH 575 F 1 +HETATM 4627 O O HOH . . . L 5 45.887 44.599 -27.592 1 37.29 ? O HOH 589 F 1 +HETATM 4628 O O HOH . . . L 5 35.632 50.257 -23.883 1 50.89 ? O HOH 592 F 1 +HETATM 4629 O O HOH . . . L 5 22.784 72.471 -27.076 1 42.58 ? O HOH 596 F 1 +HETATM 4630 O O HOH . . . L 5 7.194 58.282 -22.777 1 48.95 ? O HOH 599 F 1 +HETATM 4631 O O HOH . . . L 5 2.172 75.065 -25.769 1 29.07 ? O HOH 602 F 1 +HETATM 4632 O O HOH . . . L 5 6.522 79.928 -16.01 1 25.22 ? O HOH 603 F 1 +HETATM 4633 O O HOH . . . L 5 43.025 43.992 -21.855 1 29.25 ? O HOH 608 F 1 +HETATM 4634 O O HOH . . . L 5 7.478 77.422 -10.24 1 18.53 ? O HOH 610 F 1 +HETATM 4635 O O HOH . . . L 5 17.066 57.43 -29.734 1 29.65 ? O HOH 613 F 1 +HETATM 4636 O O HOH . . . L 5 27.442 72.109 -25.068 1 16.67 ? O HOH 614 F 1 +HETATM 4637 O O HOH . . . L 5 29.667 73.505 -25.82 1 28.54 ? O HOH 615 F 1 +HETATM 4638 O O HOH . . . L 5 34.311 76.445 -23.875 1 49.17 ? O HOH 616 F 1 +HETATM 4639 O O HOH . . . L 5 40.192 64.519 -16.676 1 55 ? O HOH 627 F 1 +HETATM 4640 O O HOH . . . L 5 4.897 63.696 -25.327 1 38.66 ? O HOH 628 F 1 +HETATM 4641 O O HOH . . . L 5 13.729 70.695 -32.59 1 37.63 ? O HOH 629 F 1 +HETATM 4642 O O HOH . . . L 5 40.317 69.089 -23.974 1 54.97 ? O HOH 630 F 1 +HETATM 4643 O O HOH . . . L 5 31.852 69.051 -22.413 1 36.54 ? O HOH 632 F 1 +HETATM 4644 O O HOH . . . L 5 37.512 63.501 -14.722 1 25.25 ? O HOH 634 F 1 +HETATM 4645 O O HOH . . . L 5 25.176 68.661 -35.141 1 49.11 ? O HOH 637 F 1 +HETATM 4646 O O HOH . . . L 5 4.653 68.424 -33.675 1 22.79 ? O HOH 648 F 1 +HETATM 4647 O O HOH . . . L 5 4.431 77.755 -22.149 1 41.86 ? O HOH 649 F 1 +HETATM 4648 O O HOH . . . L 5 7.296 75.601 -12.699 1 33.31 ? O HOH 650 F 1 +HETATM 4649 O O HOH . . . L 5 6.998 71.561 -11.947 1 37.29 ? O HOH 651 F 1 +HETATM 4650 O O HOH . . . L 5 7.933 58.041 -25.945 1 30.99 ? O HOH 653 F 1 +HETATM 4651 O O HOH . . . L 5 13.763 61.04 -18.03 1 47.96 ? O HOH 658 F 1 +HETATM 4652 O O HOH . . . L 5 33.756 72.777 -22.367 1 46.41 ? O HOH 661 F 1 +HETATM 4653 O O HOH . . . L 5 54.464 46.698 -24.996 1 46.73 ? O HOH 662 F 1 +HETATM 4654 O O HOH . . . L 5 36.668 53.614 -22.756 1 41.75 ? O HOH 663 F 1 +HETATM 4655 O O HOH . . . L 5 7.813 79.582 -18.457 1 37.6 ? O HOH 670 F 1 +HETATM 4656 O O HOH . . . L 5 8.196 65.636 -13.058 1 54.25 ? O HOH 671 F 1 +HETATM 4657 O O HOH . . . L 5 9.648 63.288 -15.403 1 38.99 ? O HOH 673 F 1 +HETATM 4658 O O HOH . . . L 5 8.696 62.103 -24.916 1 50.52 ? O HOH 674 F 1 +HETATM 4659 O O HOH . . . L 5 14.733 66.217 -23.05 1 35.25 ? O HOH 675 F 1 +HETATM 4660 O O HOH . . . L 5 11.389 72.474 -31.016 1 46.75 ? O HOH 676 F 1 +HETATM 4661 O O HOH . . . L 5 12.114 58.988 -34.21 1 53.56 ? O HOH 678 F 1 +HETATM 4662 O O HOH . . . L 5 35.294 69.551 -30.893 1 45.99 ? O HOH 679 F 1 +HETATM 4663 O O HOH . . . L 5 41.412 63.169 -19.944 1 43.35 ? O HOH 681 F 1 +HETATM 4664 O O HOH . . . L 5 43.289 54.324 -18.513 1 55 ? O HOH 682 F 1 +HETATM 4665 O O HOH . . . L 5 9.751 71.706 -11.911 1 32.94 ? O HOH 689 F 1 +HETATM 4666 O O HOH . . . L 5 7.616 61.298 -20.989 1 38.13 ? O HOH 690 F 1 +HETATM 4667 O O HOH . . . L 5 2.925 75.398 -8.79 1 51.05 ? O HOH 691 F 1 +HETATM 4668 O O HOH . . . L 5 25.48 73.849 -27.535 1 49.54 ? O HOH 693 F 1 +HETATM 4669 O O HOH . . . L 5 9.405 78.692 -15.849 1 48.02 ? O HOH 703 F 1 +HETATM 4670 O O HOH . . . L 5 3.752 75.722 -12.148 1 54.69 ? O HOH 704 F 1 +HETATM 4671 O O HOH . . . L 5 38.687 69.451 -28.246 1 49.88 ? O HOH 711 F 1 +HETATM 4672 O O HOH . . . L 5 37.106 67.659 -32.437 1 39.11 ? O HOH 712 F 1 +HETATM 4673 O O HOH . . . L 5 20.319 73.578 -33.478 1 45.67 ? O HOH 716 F 1 +HETATM 4674 O O HOH . . . L 5 6.36 63.92 -15.465 1 52.65 ? O HOH 718 F 1 +HETATM 4675 O O HOH . . . L 5 26.865 78.212 -29.056 1 55 ? O HOH 748 F 1 +HETATM 4676 O O HOH . . . M 5 10.284 72.559 -8.903 1 22.85 ? O HOH 611 A 1 +HETATM 4677 O O HOH . . . M 5 9.255 57.324 -28.987 1 55 ? O HOH 654 A 1 +HETATM 4678 O O HOH . . . M 5 21.678 54.651 -24.966 1 43.43 ? O HOH 657 A 1 +HETATM 4679 O O HOH . . . M 5 7.4 73.484 -9.214 1 47.11 ? O HOH 705 A 1 +HETATM 4680 O O HOH . . . M 5 17.557 61.852 -14.892 1 42.94 ? O HOH 717 A 1 +HETATM 4681 O O HOH . . . M 5 11.375 59.5 -14.354 1 52.68 ? O HOH 719 A 1 +HETATM 4682 O O HOH . . . M 5 12.614 53.284 -14.492 1 51.76 ? O HOH 720 A 1 +HETATM 4683 O O HOH . . . M 5 13.058 60.579 -10.316 1 49.73 ? O HOH 721 A 1 +HETATM 4684 O O HOH . . . M 5 28.816 53.412 -29.637 1 39.73 ? O HOH 722 A 1 +HETATM 4685 O O HOH . . . M 5 21.255 54.038 -29.711 1 41.83 ? O HOH 723 A 1 +HETATM 4686 O O HOH . . . M 5 38.936 47.409 -18.387 1 40.91 ? O HOH 725 A 1 +HETATM 4687 O O HOH . . . M 5 41.262 47.175 -17.411 1 38.05 ? O HOH 726 A 1 +HETATM 4688 O O HOH . . . M 5 12.478 74.038 6.484 1 49.67 ? O HOH 734 A 1 +HETATM 4689 O O HOH . . . M 5 18.509 73.301 5.314 1 43.09 ? O HOH 735 A 1 +HETATM 4690 O O HOH . . . M 5 19.75 65.654 -12.399 1 25.25 ? O HOH 736 A 1 +HETATM 4691 O O HOH . . . M 5 23.38 68.251 -12.222 1 25.18 ? O HOH 737 A 1 +HETATM 4692 O O HOH . . . M 5 14.892 62.388 -11.516 1 41.1 ? O HOH 738 A 1 +HETATM 4693 O O HOH . . . M 5 24.435 69.769 -18.274 1 48.14 ? O HOH 744 A 1 +HETATM 4694 O O HOH . . . M 5 25.815 69.476 -21.119 1 48.69 ? O HOH 745 A 1 +HETATM 4695 O O HOH . . . M 5 27.956 67.774 -19.811 1 55 ? O HOH 746 A 1 +HETATM 4696 O O HOH . . . M 5 26.553 66.389 -18.032 1 51.67 ? O HOH 747 A 1 +HETATM 4697 O O HOH . . . N 5 59.562 53.896 4.476 1 30.56 ? O HOH 532 B 1 +HETATM 4698 O O HOH . . . N 5 55.057 58.699 -15.558 1 44.05 ? O HOH 555 B 1 +HETATM 4699 O O HOH . . . N 5 59.004 61.481 -14.106 1 55 ? O HOH 638 B 1 +HETATM 4700 O O HOH . . . N 5 40.467 58.019 -13.975 1 51.91 ? O HOH 664 B 1 +HETATM 4701 O O HOH . . . N 5 43.433 63.243 -13.179 1 53.31 ? O HOH 665 B 1 +HETATM 4702 O O HOH . . . N 5 37.656 60.746 -12.566 1 55 ? O HOH 680 B 1 +HETATM 4703 O O HOH . . . N 5 27.051 28.112 9.958 1 40.96 ? O HOH 694 B 1 +HETATM 4704 O O HOH . . . N 5 66.35 59.431 7.53 1 46.96 ? O HOH 698 B 1 +HETATM 4705 O O HOH . . . N 5 50.447 47.743 -5.108 1 51.54 ? O HOH 727 B 1 +HETATM 4706 O O HOH . . . N 5 47.146 45.975 -3.411 1 42.22 ? O HOH 728 B 1 +HETATM 4707 O O HOH . . . N 5 46.157 49.437 -7.502 1 53.47 ? O HOH 729 B 1 +HETATM 4708 O O HOH . . . N 5 43.808 40.145 -13.034 1 30.09 ? O HOH 730 B 1 +HETATM 4709 O O HOH . . . N 5 36.05 55.545 6.786 1 37.49 ? O HOH 731 B 1 +HETATM 4710 O O HOH . . . N 5 38.361 59.27 3.275 1 53.62 ? O HOH 732 B 1 +HETATM 4711 O O HOH . . . N 5 40.217 64.375 2.797 1 44.11 ? O HOH 733 B 1 +HETATM 4712 O O HOH . . . N 5 41.541 53.966 -8.409 1 51.18 ? O HOH 739 B 1 +HETATM 4713 O O HOH . . . N 5 39.178 56.148 -9.152 1 32.47 ? O HOH 740 B 1 +HETATM 4714 O O HOH . . . N 5 40.084 58.973 -11.133 1 51.6 ? O HOH 741 B 1 +HETATM 4715 O O HOH . . . N 5 45.75 42.963 -13.26 1 55 ? O HOH 757 B 1 +HETATM 4716 O O HOH . . . N 5 53.894 43.192 17.506 1 50.14 ? O HOH 758 B 1 +HETATM 4717 O O HOH . . . N 5 51.308 41.624 18.445 1 44.78 ? O HOH 759 B 1 +HETATM 4718 O O HOH . . . N 5 51.831 41.946 22.916 1 43.08 ? O HOH 760 B 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 DG 1 -5 -5 DG G C . n +A 1 2 DC 2 -4 -4 DC C C . n +A 1 3 DG 3 -3 -3 DG G C . n +A 1 4 DA 4 -2 -2 DA A C . n +A 1 5 DA 5 -1 -1 DA A C . n +A 1 6 DA 6 1 1 DA A C . n +A 1 7 DA 7 2 2 DA A C . n +A 1 8 DG 8 3 3 DG G C . n +A 1 9 DT 9 4 4 DT T C . n +A 1 10 DG 10 5 5 DG G C . n +A 1 11 DT 11 6 6 DT T C . n +A 1 12 DG 12 7 7 DG G C . n +A 1 13 DA 13 8 8 DA A C . n +A 1 14 DC 14 9 9 DC C C . n +B 2 1 DA 1 10 10 DA A D . n +B 2 2 DT 2 11 11 DT T D . n +B 2 3 DA 3 12 12 DA A D . n +B 2 4 DT 4 13 13 DT T D . n +B 2 5 DG 5 14 14 DG G D . n +B 2 6 DT 6 15 15 DT T D . n +B 2 7 DC 7 16 16 DC C D . n +B 2 8 DA 8 17 17 DA A D . n +B 2 9 DC 9 18 18 DC C D . n +B 2 10 DA 10 19 19 DA A D . n +B 2 11 DC 11 20 20 DC C D . n +B 2 12 DT 12 21 21 DT T D . n +B 2 13 DT 13 22 22 DT T D . n +B 2 14 DT 14 23 23 DT T D . n +B 2 15 DT 15 24 24 DT T D . n +B 2 16 DC 16 25 25 DC C D . n +B 2 17 DG 17 26 26 DG G D . n +C 1 1 DG 1 27 27 DG G E . n +C 1 2 DC 2 26 26 DC C E . n +C 1 3 DG 3 25 25 DG G E . n +C 1 4 DA 4 24 24 DA A E . n +C 1 5 DA 5 23 23 DA A E . n +C 1 6 DA 6 22 22 DA A E . n +C 1 7 DA 7 21 21 DA A E . n +C 1 8 DG 8 20 20 DG G E . n +C 1 9 DT 9 19 19 DT T E . n +C 1 10 DG 10 18 18 DG G E . n +C 1 11 DT 11 17 17 DT T E . n +C 1 12 DG 12 16 16 DG G E . n +C 1 13 DA 13 15 15 DA A E . n +C 1 14 DC 14 14 14 DC C E . n +D 2 1 DA 1 13 13 DA A F . n +D 2 2 DT 2 12 12 DT T F . n +D 2 3 DA 3 11 11 DA A F . n +D 2 4 DT 4 10 10 DT T F . n +D 2 5 DG 5 9 9 DG G F . n +D 2 6 DT 6 8 8 DT T F . n +D 2 7 DC 7 7 7 DC C F . n +D 2 8 DA 8 6 6 DA A F . n +D 2 9 DC 9 5 5 DC C F . n +D 2 10 DA 10 4 4 DA A F . n +D 2 11 DC 11 3 3 DC C F . n +D 2 12 DT 12 2 2 DT T F . n +D 2 13 DT 13 1 1 DT T F . n +D 2 14 DT 14 -1 -1 DT T F . n +D 2 15 DT 15 -2 -2 DT T F . n +D 2 16 DC 16 -3 -3 DC C F . n +D 2 17 DG 17 -4 -4 DG G F . n +E 3 1 VAL 1 1 . . . A . n +E 3 2 LEU 2 2 . . . A . n +E 3 3 GLY 3 3 . . . A . n +E 3 4 LYS 4 4 . . . A . n +E 3 5 PRO 5 5 . . . A . n +E 3 6 GLN 6 6 . . . A . n +E 3 7 THR 7 7 . . . A . n +E 3 8 ASP 8 8 . . . A . n +E 3 9 PRO 9 9 9 PRO PRO A . n +E 3 10 THR 10 10 10 THR THR A . n +E 3 11 LEU 11 11 11 LEU LEU A . n +E 3 12 GLU 12 12 12 GLU GLU A . n +E 3 13 TRP 13 13 13 TRP TRP A . n +E 3 14 PHE 14 14 14 PHE PHE A . n +E 3 15 LEU 15 15 15 LEU LEU A . n +E 3 16 SER 16 16 16 SER SER A . n +E 3 17 HIS 17 17 17 HIS HIS A . n +E 3 18 CYS 18 18 18 CYS CYS A . n +E 3 19 HIS 19 19 19 HIS HIS A . n +E 3 20 ILE 20 20 20 ILE ILE A . n +E 3 21 HIS 21 21 21 HIS HIS A . n +E 3 22 LYS 22 22 22 LYS LYS A . n +E 3 23 TYR 23 23 23 TYR TYR A . n +E 3 24 PRO 24 24 24 PRO PRO A . n +E 3 25 SER 25 25 25 SER SER A . n +E 3 26 LYS 26 26 26 LYS LYS A . n +E 3 27 SER 27 27 27 SER SER A . n +E 3 28 THR 28 28 28 THR THR A . n +E 3 29 LEU 29 29 29 LEU LEU A . n +E 3 30 ILE 30 30 30 ILE ILE A . n +E 3 31 HIS 31 31 31 HIS HIS A . n +E 3 32 GLN 32 32 32 GLN GLN A . n +E 3 33 GLY 33 33 33 GLY GLY A . n +E 3 34 GLU 34 34 34 GLU GLU A . n +E 3 35 LYS 35 35 35 LYS LYS A . n +E 3 36 ALA 36 36 36 ALA ALA A . n +E 3 37 GLU 37 37 37 GLU GLU A . n +E 3 38 THR 38 38 38 THR THR A . n +E 3 39 LEU 39 39 39 LEU LEU A . n +E 3 40 TYR 40 40 40 TYR TYR A . n +E 3 41 TYR 41 41 41 TYR TYR A . n +E 3 42 ILE 42 42 42 ILE ILE A . n +E 3 43 VAL 43 43 43 VAL VAL A . n +E 3 44 LYS 44 44 44 LYS LYS A . n +E 3 45 GLY 45 45 45 GLY GLY A . n +E 3 46 SER 46 46 46 SER SER A . n +E 3 47 VAL 47 47 47 VAL VAL A . n +E 3 48 ALA 48 48 48 ALA ALA A . n +E 3 49 VAL 49 49 49 VAL VAL A . n +E 3 50 LEU 50 50 50 LEU LEU A . n +E 3 51 ILE 51 51 51 ILE ILE A . n +E 3 52 LYS 52 52 52 LYS LYS A . n +E 3 53 ASP 53 53 53 ASP ASP A . n +E 3 54 GLU 54 54 54 GLU GLU A . n +E 3 55 GLU 55 55 55 GLU GLU A . n +E 3 56 GLY 56 56 56 GLY GLY A . n +E 3 57 LYS 57 57 57 LYS LYS A . n +E 3 58 GLU 58 58 58 GLU GLU A . n +E 3 59 MET 59 59 59 MET MET A . n +E 3 60 ILE 60 60 60 ILE ILE A . n +E 3 61 LEU 61 61 61 LEU LEU A . n +E 3 62 SER 62 62 62 SER SER A . n +E 3 63 TYR 63 63 63 TYR TYR A . n +E 3 64 LEU 64 64 64 LEU LEU A . n +E 3 65 ASN 65 65 65 ASN ASN A . n +E 3 66 GLN 66 66 66 GLN GLN A . n +E 3 67 GLY 67 67 67 GLY GLY A . n +E 3 68 ASP 68 68 68 ASP ASP A . n +E 3 69 PHE 69 69 69 PHE PHE A . n +E 3 70 ILE 70 70 70 ILE ILE A . n +E 3 71 GLY 71 71 71 GLY GLY A . n +E 3 72 GLU 72 72 72 GLU GLU A . n +E 3 73 LEU 73 73 73 LEU LEU A . n +E 3 74 GLY 74 74 74 GLY GLY A . n +E 3 75 LEU 75 75 75 LEU LEU A . n +E 3 76 PHE 76 76 76 PHE PHE A . n +E 3 77 GLU 77 77 77 GLU GLU A . n +E 3 78 GLU 78 78 78 GLU GLU A . n +E 3 79 GLY 79 79 79 GLY GLY A . n +E 3 80 GLN 80 80 80 GLN GLN A . n +E 3 81 GLU 81 81 81 GLU GLU A . n +E 3 82 ARG 82 82 82 ARG ARG A . n +E 3 83 SER 83 83 83 SER SER A . n +E 3 84 ALA 84 84 84 ALA ALA A . n +E 3 85 TRP 85 85 85 TRP TRP A . n +E 3 86 VAL 86 86 86 VAL VAL A . n +E 3 87 ARG 87 87 87 ARG ARG A . n +E 3 88 ALA 88 88 88 ALA ALA A . n +E 3 89 LYS 89 89 89 LYS LYS A . n +E 3 90 THR 90 90 90 THR THR A . n +E 3 91 ALA 91 91 91 ALA ALA A . n +E 3 92 CYS 92 92 92 CYS CYS A . n +E 3 93 GLU 93 93 93 GLU GLU A . n +E 3 94 VAL 94 94 94 VAL VAL A . n +E 3 95 ALA 95 95 95 ALA ALA A . n +E 3 96 GLU 96 96 96 GLU GLU A . n +E 3 97 ILE 97 97 97 ILE ILE A . n +E 3 98 SER 98 98 98 SER SER A . n +E 3 99 TYR 99 99 99 TYR TYR A . n +E 3 100 LYS 100 100 100 LYS LYS A . n +E 3 101 LYS 101 101 101 LYS LYS A . n +E 3 102 PHE 102 102 102 PHE PHE A . n +E 3 103 ARG 103 103 103 ARG ARG A . n +E 3 104 GLN 104 104 104 GLN GLN A . n +E 3 105 LEU 105 105 105 LEU LEU A . n +E 3 106 ILE 106 106 106 ILE ILE A . n +E 3 107 GLN 107 107 107 GLN GLN A . n +E 3 108 VAL 108 108 108 VAL VAL A . n +E 3 109 ASN 109 109 109 ASN ASN A . n +E 3 110 PRO 110 110 110 PRO PRO A . n +E 3 111 ASP 111 111 111 ASP ASP A . n +E 3 112 ILE 112 112 112 ILE ILE A . n +E 3 113 LEU 113 113 113 LEU LEU A . n +E 3 114 MET 114 114 114 MET MET A . n +E 3 115 ARG 115 115 115 ARG ARG A . n +E 3 116 LEU 116 116 116 LEU LEU A . n +E 3 117 SER 117 117 117 SER SER A . n +E 3 118 ALA 118 118 118 ALA ALA A . n +E 3 119 GLN 119 119 119 GLN GLN A . n +E 3 120 MET 120 120 120 MET MET A . n +E 3 121 ALA 121 121 121 ALA ALA A . n +E 3 122 ARG 122 122 122 ARG ARG A . n +E 3 123 ARG 123 123 123 ARG ARG A . n +E 3 124 LEU 124 124 124 LEU LEU A . n +E 3 125 GLN 125 125 125 GLN GLN A . n +E 3 126 VAL 126 126 126 VAL VAL A . n +E 3 127 THR 127 127 127 THR THR A . n +E 3 128 SER 128 128 128 SER SER A . n +E 3 129 GLU 129 129 129 GLU GLU A . n +E 3 130 LYS 130 130 130 LYS LYS A . n +E 3 131 VAL 131 131 131 VAL VAL A . n +E 3 132 GLY 132 132 132 GLY GLY A . n +E 3 133 ASN 133 133 133 ASN ASN A . n +E 3 134 LEU 134 134 134 LEU LEU A . n +E 3 135 ALA 135 135 135 ALA ALA A . n +E 3 136 PHE 136 136 136 PHE PHE A . n +E 3 137 LEU 137 137 137 LEU LEU A . n +E 3 138 ASP 138 138 138 ASP ASP A . n +E 3 139 VAL 139 139 139 VAL VAL A . n +E 3 140 THR 140 140 140 THR THR A . n +E 3 141 GLY 141 141 141 GLY GLY A . n +E 3 142 ARG 142 142 142 ARG ARG A . n +E 3 143 ILE 143 143 143 ILE ILE A . n +E 3 144 ALA 144 144 144 ALA ALA A . n +E 3 145 GLN 145 145 145 GLN GLN A . n +E 3 146 THR 146 146 146 THR THR A . n +E 3 147 LEU 147 147 147 LEU LEU A . n +E 3 148 LEU 148 148 148 LEU LEU A . n +E 3 149 ASN 149 149 149 ASN ASN A . n +E 3 150 LEU 150 150 150 LEU LEU A . n +E 3 151 ALA 151 151 151 ALA ALA A . n +E 3 152 LYS 152 152 152 LYS LYS A . n +E 3 153 GLN 153 153 153 GLN GLN A . n +E 3 154 PRO 154 154 154 PRO PRO A . n +E 3 155 ASP 155 155 155 ASP ASP A . n +E 3 156 ALA 156 156 156 ALA ALA A . n +E 3 157 MET 157 157 157 MET MET A . n +E 3 158 THR 158 158 158 THR THR A . n +E 3 159 HIS 159 159 159 HIS HIS A . n +E 3 160 PRO 160 160 160 PRO PRO A . n +E 3 161 ASP 161 161 161 ASP ASP A . n +E 3 162 GLY 162 162 162 GLY GLY A . n +E 3 163 MET 163 163 163 MET MET A . n +E 3 164 GLN 164 164 164 GLN GLN A . n +E 3 165 ILE 165 165 165 ILE ILE A . n +E 3 166 LYS 166 166 166 LYS LYS A . n +E 3 167 ILE 167 167 167 ILE ILE A . n +E 3 168 THR 168 168 168 THR THR A . n +E 3 169 ARG 169 169 169 ARG ARG A . n +E 3 170 GLN 170 170 170 GLN GLN A . n +E 3 171 GLU 171 171 171 GLU GLU A . n +E 3 172 ILE 172 172 172 ILE ILE A . n +E 3 173 GLY 173 173 173 GLY GLY A . n +E 3 174 GLN 174 174 174 GLN GLN A . n +E 3 175 ILE 175 175 175 ILE ILE A . n +E 3 176 VAL 176 176 176 VAL VAL A . n +E 3 177 GLY 177 177 177 GLY GLY A . n +E 3 178 CYS 178 178 178 CYS CYS A . n +E 3 179 SER 179 179 179 SER SER A . n +E 3 180 ARG 180 180 180 ARG ARG A . n +E 3 181 GLU 181 181 181 GLU GLU A . n +E 3 182 THR 182 182 182 THR THR A . n +E 3 183 VAL 183 183 183 VAL VAL A . n +E 3 184 GLY 184 184 184 GLY GLY A . n +E 3 185 ARG 185 185 185 ARG ARG A . n +E 3 186 ILE 186 186 186 ILE ILE A . n +E 3 187 LEU 187 187 187 LEU LEU A . n +E 3 188 LYS 188 188 188 LYS LYS A . n +E 3 189 MET 189 189 189 MET MET A . n +E 3 190 LEU 190 190 190 LEU LEU A . n +E 3 191 GLU 191 191 191 GLU GLU A . n +E 3 192 ASP 192 192 192 ASP ASP A . n +E 3 193 GLN 193 193 193 GLN GLN A . n +E 3 194 ASN 194 194 194 ASN ASN A . n +E 3 195 LEU 195 195 195 LEU LEU A . n +E 3 196 ILE 196 196 196 ILE ILE A . n +E 3 197 SER 197 197 197 SER SER A . n +E 3 198 ALA 198 198 198 ALA ALA A . n +E 3 199 HIS 199 199 199 HIS HIS A . n +E 3 200 GLY 200 200 200 GLY GLY A . n +E 3 201 LYS 201 201 201 LYS LYS A . n +E 3 202 THR 202 202 202 THR THR A . n +E 3 203 ILE 203 203 203 ILE ILE A . n +E 3 204 VAL 204 204 204 VAL VAL A . n +E 3 205 VAL 205 205 205 VAL VAL A . n +E 3 206 TYR 206 206 206 TYR TYR A . n +E 3 207 GLY 207 207 207 GLY GLY A . n +E 3 208 THR 208 208 . . . A . n +E 3 209 ARG 209 209 . . . A . n +F 3 1 VAL 1 1 . . . B . n +F 3 2 LEU 2 2 . . . B . n +F 3 3 GLY 3 3 . . . B . n +F 3 4 LYS 4 4 . . . B . n +F 3 5 PRO 5 5 . . . B . n +F 3 6 GLN 6 6 . . . B . n +F 3 7 THR 7 7 . . . B . n +F 3 8 ASP 8 8 . . . B . n +F 3 9 PRO 9 9 9 PRO PRO B . n +F 3 10 THR 10 10 10 THR THR B . n +F 3 11 LEU 11 11 11 LEU LEU B . n +F 3 12 GLU 12 12 12 GLU GLU B . n +F 3 13 TRP 13 13 13 TRP TRP B . n +F 3 14 PHE 14 14 14 PHE PHE B . n +F 3 15 LEU 15 15 15 LEU LEU B . n +F 3 16 SER 16 16 16 SER SER B . n +F 3 17 HIS 17 17 17 HIS HIS B . n +F 3 18 CYS 18 18 18 CYS CYS B . n +F 3 19 HIS 19 19 19 HIS HIS B . n +F 3 20 ILE 20 20 20 ILE ILE B . n +F 3 21 HIS 21 21 21 HIS HIS B . n +F 3 22 LYS 22 22 22 LYS LYS B . n +F 3 23 TYR 23 23 23 TYR TYR B . n +F 3 24 PRO 24 24 24 PRO PRO B . n +F 3 25 SER 25 25 25 SER SER B . n +F 3 26 LYS 26 26 26 LYS LYS B . n +F 3 27 SER 27 27 27 SER SER B . n +F 3 28 THR 28 28 28 THR THR B . n +F 3 29 LEU 29 29 29 LEU LEU B . n +F 3 30 ILE 30 30 30 ILE ILE B . n +F 3 31 HIS 31 31 31 HIS HIS B . n +F 3 32 GLN 32 32 32 GLN GLN B . n +F 3 33 GLY 33 33 33 GLY GLY B . n +F 3 34 GLU 34 34 34 GLU GLU B . n +F 3 35 LYS 35 35 35 LYS LYS B . n +F 3 36 ALA 36 36 36 ALA ALA B . n +F 3 37 GLU 37 37 37 GLU GLU B . n +F 3 38 THR 38 38 38 THR THR B . n +F 3 39 LEU 39 39 39 LEU LEU B . n +F 3 40 TYR 40 40 40 TYR TYR B . n +F 3 41 TYR 41 41 41 TYR TYR B . n +F 3 42 ILE 42 42 42 ILE ILE B . n +F 3 43 VAL 43 43 43 VAL VAL B . n +F 3 44 LYS 44 44 44 LYS LYS B . n +F 3 45 GLY 45 45 45 GLY GLY B . n +F 3 46 SER 46 46 46 SER SER B . n +F 3 47 VAL 47 47 47 VAL VAL B . n +F 3 48 ALA 48 48 48 ALA ALA B . n +F 3 49 VAL 49 49 49 VAL VAL B . n +F 3 50 LEU 50 50 50 LEU LEU B . n +F 3 51 ILE 51 51 51 ILE ILE B . n +F 3 52 LYS 52 52 52 LYS LYS B . n +F 3 53 ASP 53 53 53 ASP ASP B . n +F 3 54 GLU 54 54 54 GLU GLU B . n +F 3 55 GLU 55 55 55 GLU GLU B . n +F 3 56 GLY 56 56 56 GLY GLY B . n +F 3 57 LYS 57 57 57 LYS LYS B . n +F 3 58 GLU 58 58 58 GLU GLU B . n +F 3 59 MET 59 59 59 MET MET B . n +F 3 60 ILE 60 60 60 ILE ILE B . n +F 3 61 LEU 61 61 61 LEU LEU B . n +F 3 62 SER 62 62 62 SER SER B . n +F 3 63 TYR 63 63 63 TYR TYR B . n +F 3 64 LEU 64 64 64 LEU LEU B . n +F 3 65 ASN 65 65 65 ASN ASN B . n +F 3 66 GLN 66 66 66 GLN GLN B . n +F 3 67 GLY 67 67 67 GLY GLY B . n +F 3 68 ASP 68 68 68 ASP ASP B . n +F 3 69 PHE 69 69 69 PHE PHE B . n +F 3 70 ILE 70 70 70 ILE ILE B . n +F 3 71 GLY 71 71 71 GLY GLY B . n +F 3 72 GLU 72 72 72 GLU GLU B . n +F 3 73 LEU 73 73 73 LEU LEU B . n +F 3 74 GLY 74 74 74 GLY GLY B . n +F 3 75 LEU 75 75 75 LEU LEU B . n +F 3 76 PHE 76 76 76 PHE PHE B . n +F 3 77 GLU 77 77 77 GLU GLU B . n +F 3 78 GLU 78 78 78 GLU GLU B . n +F 3 79 GLY 79 79 79 GLY GLY B . n +F 3 80 GLN 80 80 80 GLN GLN B . n +F 3 81 GLU 81 81 81 GLU GLU B . n +F 3 82 ARG 82 82 82 ARG ARG B . n +F 3 83 SER 83 83 83 SER SER B . n +F 3 84 ALA 84 84 84 ALA ALA B . n +F 3 85 TRP 85 85 85 TRP TRP B . n +F 3 86 VAL 86 86 86 VAL VAL B . n +F 3 87 ARG 87 87 87 ARG ARG B . n +F 3 88 ALA 88 88 88 ALA ALA B . n +F 3 89 LYS 89 89 89 LYS LYS B . n +F 3 90 THR 90 90 90 THR THR B . n +F 3 91 ALA 91 91 91 ALA ALA B . n +F 3 92 CYS 92 92 92 CYS CYS B . n +F 3 93 GLU 93 93 93 GLU GLU B . n +F 3 94 VAL 94 94 94 VAL VAL B . n +F 3 95 ALA 95 95 95 ALA ALA B . n +F 3 96 GLU 96 96 96 GLU GLU B . n +F 3 97 ILE 97 97 97 ILE ILE B . n +F 3 98 SER 98 98 98 SER SER B . n +F 3 99 TYR 99 99 99 TYR TYR B . n +F 3 100 LYS 100 100 100 LYS LYS B . n +F 3 101 LYS 101 101 101 LYS LYS B . n +F 3 102 PHE 102 102 102 PHE PHE B . n +F 3 103 ARG 103 103 103 ARG ARG B . n +F 3 104 GLN 104 104 104 GLN GLN B . n +F 3 105 LEU 105 105 105 LEU LEU B . n +F 3 106 ILE 106 106 106 ILE ILE B . n +F 3 107 GLN 107 107 107 GLN GLN B . n +F 3 108 VAL 108 108 108 VAL VAL B . n +F 3 109 ASN 109 109 109 ASN ASN B . n +F 3 110 PRO 110 110 110 PRO PRO B . n +F 3 111 ASP 111 111 111 ASP ASP B . n +F 3 112 ILE 112 112 112 ILE ILE B . n +F 3 113 LEU 113 113 113 LEU LEU B . n +F 3 114 MET 114 114 114 MET MET B . n +F 3 115 ARG 115 115 115 ARG ARG B . n +F 3 116 LEU 116 116 116 LEU LEU B . n +F 3 117 SER 117 117 117 SER SER B . n +F 3 118 ALA 118 118 118 ALA ALA B . n +F 3 119 GLN 119 119 119 GLN GLN B . n +F 3 120 MET 120 120 120 MET MET B . n +F 3 121 ALA 121 121 121 ALA ALA B . n +F 3 122 ARG 122 122 122 ARG ARG B . n +F 3 123 ARG 123 123 123 ARG ARG B . n +F 3 124 LEU 124 124 124 LEU LEU B . n +F 3 125 GLN 125 125 125 GLN GLN B . n +F 3 126 VAL 126 126 126 VAL VAL B . n +F 3 127 THR 127 127 127 THR THR B . n +F 3 128 SER 128 128 128 SER SER B . n +F 3 129 GLU 129 129 129 GLU GLU B . n +F 3 130 LYS 130 130 130 LYS LYS B . n +F 3 131 VAL 131 131 131 VAL VAL B . n +F 3 132 GLY 132 132 132 GLY GLY B . n +F 3 133 ASN 133 133 133 ASN ASN B . n +F 3 134 LEU 134 134 134 LEU LEU B . n +F 3 135 ALA 135 135 135 ALA ALA B . n +F 3 136 PHE 136 136 136 PHE PHE B . n +F 3 137 LEU 137 137 137 LEU LEU B . n +F 3 138 ASP 138 138 138 ASP ASP B . n +F 3 139 VAL 139 139 139 VAL VAL B . n +F 3 140 THR 140 140 140 THR THR B . n +F 3 141 GLY 141 141 141 GLY GLY B . n +F 3 142 ARG 142 142 142 ARG ARG B . n +F 3 143 ILE 143 143 143 ILE ILE B . n +F 3 144 ALA 144 144 144 ALA ALA B . n +F 3 145 GLN 145 145 145 GLN GLN B . n +F 3 146 THR 146 146 146 THR THR B . n +F 3 147 LEU 147 147 147 LEU LEU B . n +F 3 148 LEU 148 148 148 LEU LEU B . n +F 3 149 ASN 149 149 149 ASN ASN B . n +F 3 150 LEU 150 150 150 LEU LEU B . n +F 3 151 ALA 151 151 151 ALA ALA B . n +F 3 152 LYS 152 152 152 LYS LYS B . n +F 3 153 GLN 153 153 153 GLN GLN B . n +F 3 154 PRO 154 154 154 PRO PRO B . n +F 3 155 ASP 155 155 155 ASP ASP B . n +F 3 156 ALA 156 156 156 ALA ALA B . n +F 3 157 MET 157 157 157 MET MET B . n +F 3 158 THR 158 158 158 THR THR B . n +F 3 159 HIS 159 159 159 HIS HIS B . n +F 3 160 PRO 160 160 160 PRO PRO B . n +F 3 161 ASP 161 161 161 ASP ASP B . n +F 3 162 GLY 162 162 162 GLY GLY B . n +F 3 163 MET 163 163 163 MET MET B . n +F 3 164 GLN 164 164 164 GLN GLN B . n +F 3 165 ILE 165 165 165 ILE ILE B . n +F 3 166 LYS 166 166 166 LYS LYS B . n +F 3 167 ILE 167 167 167 ILE ILE B . n +F 3 168 THR 168 168 168 THR THR B . n +F 3 169 ARG 169 169 169 ARG ARG B . n +F 3 170 GLN 170 170 170 GLN GLN B . n +F 3 171 GLU 171 171 171 GLU GLU B . n +F 3 172 ILE 172 172 172 ILE ILE B . n +F 3 173 GLY 173 173 173 GLY GLY B . n +F 3 174 GLN 174 174 174 GLN GLN B . n +F 3 175 ILE 175 175 175 ILE ILE B . n +F 3 176 VAL 176 176 176 VAL VAL B . n +F 3 177 GLY 177 177 177 GLY GLY B . n +F 3 178 CYS 178 178 178 CYS CYS B . n +F 3 179 SER 179 179 179 SER SER B . n +F 3 180 ARG 180 180 180 ARG ARG B . n +F 3 181 GLU 181 181 181 GLU GLU B . n +F 3 182 THR 182 182 182 THR THR B . n +F 3 183 VAL 183 183 183 VAL VAL B . n +F 3 184 GLY 184 184 184 GLY GLY B . n +F 3 185 ARG 185 185 185 ARG ARG B . n +F 3 186 ILE 186 186 186 ILE ILE B . n +F 3 187 LEU 187 187 187 LEU LEU B . n +F 3 188 LYS 188 188 188 LYS LYS B . n +F 3 189 MET 189 189 189 MET MET B . n +F 3 190 LEU 190 190 190 LEU LEU B . n +F 3 191 GLU 191 191 191 GLU GLU B . n +F 3 192 ASP 192 192 192 ASP ASP B . n +F 3 193 GLN 193 193 193 GLN GLN B . n +F 3 194 ASN 194 194 194 ASN ASN B . n +F 3 195 LEU 195 195 195 LEU LEU B . n +F 3 196 ILE 196 196 196 ILE ILE B . n +F 3 197 SER 197 197 197 SER SER B . n +F 3 198 ALA 198 198 198 ALA ALA B . n +F 3 199 HIS 199 199 199 HIS HIS B . n +F 3 200 GLY 200 200 200 GLY GLY B . n +F 3 201 LYS 201 201 201 LYS LYS B . n +F 3 202 THR 202 202 202 THR THR B . n +F 3 203 ILE 203 203 203 ILE ILE B . n +F 3 204 VAL 204 204 204 VAL VAL B . n +F 3 205 VAL 205 205 205 VAL VAL B . n +F 3 206 TYR 206 206 . . . B . n +F 3 207 GLY 207 207 . . . B . n +F 3 208 THR 208 208 . . . B . n +F 3 209 ARG 209 209 . . . B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +G 4 CMP A 1 762 762 CMP CMP . +H 4 CMP B 1 761 761 CMP CMP . +I 5 HOH C 1 497 497 HOH HOH . +I 5 HOH C 2 498 498 HOH HOH . +I 5 HOH C 3 499 499 HOH HOH . +I 5 HOH C 4 500 500 HOH HOH . +I 5 HOH C 5 502 502 HOH HOH . +I 5 HOH C 6 505 505 HOH HOH . +I 5 HOH C 7 506 506 HOH HOH . +I 5 HOH C 8 511 511 HOH HOH . +I 5 HOH C 9 545 545 HOH HOH . +I 5 HOH C 10 546 546 HOH HOH . +I 5 HOH C 11 561 561 HOH HOH . +I 5 HOH C 12 562 562 HOH HOH . +I 5 HOH C 13 565 565 HOH HOH . +I 5 HOH C 14 568 568 HOH HOH . +I 5 HOH C 15 569 569 HOH HOH . +I 5 HOH C 16 572 572 HOH HOH . +I 5 HOH C 17 573 573 HOH HOH . +I 5 HOH C 18 574 574 HOH HOH . +I 5 HOH C 19 576 576 HOH HOH . +I 5 HOH C 20 593 593 HOH HOH . +I 5 HOH C 21 594 594 HOH HOH . +I 5 HOH C 22 595 595 HOH HOH . +I 5 HOH C 23 597 597 HOH HOH . +I 5 HOH C 24 598 598 HOH HOH . +I 5 HOH C 25 600 600 HOH HOH . +I 5 HOH C 26 609 609 HOH HOH . +I 5 HOH C 27 612 612 HOH HOH . +I 5 HOH C 28 631 631 HOH HOH . +I 5 HOH C 29 635 635 HOH HOH . +I 5 HOH C 30 636 636 HOH HOH . +I 5 HOH C 31 645 645 HOH HOH . +I 5 HOH C 32 652 652 HOH HOH . +I 5 HOH C 33 655 655 HOH HOH . +I 5 HOH C 34 656 656 HOH HOH . +I 5 HOH C 35 659 659 HOH HOH . +I 5 HOH C 36 660 660 HOH HOH . +I 5 HOH C 37 672 672 HOH HOH . +I 5 HOH C 38 677 677 HOH HOH . +I 5 HOH C 39 692 692 HOH HOH . +I 5 HOH C 40 699 699 HOH HOH . +I 5 HOH C 41 700 700 HOH HOH . +I 5 HOH C 42 701 701 HOH HOH . +I 5 HOH C 43 702 702 HOH HOH . +I 5 HOH C 44 706 706 HOH HOH . +I 5 HOH C 45 707 707 HOH HOH . +I 5 HOH C 46 708 708 HOH HOH . +I 5 HOH C 47 709 709 HOH HOH . +I 5 HOH C 48 710 710 HOH HOH . +I 5 HOH C 49 715 715 HOH HOH . +I 5 HOH C 50 724 724 HOH HOH . +J 5 HOH D 1 475 475 HOH HOH . +J 5 HOH D 2 476 476 HOH HOH . +J 5 HOH D 3 477 477 HOH HOH . +J 5 HOH D 4 478 478 HOH HOH . +J 5 HOH D 5 479 479 HOH HOH . +J 5 HOH D 6 480 480 HOH HOH . +J 5 HOH D 7 481 481 HOH HOH . +J 5 HOH D 8 482 482 HOH HOH . +J 5 HOH D 9 485 485 HOH HOH . +J 5 HOH D 10 486 486 HOH HOH . +J 5 HOH D 11 489 489 HOH HOH . +J 5 HOH D 12 490 490 HOH HOH . +J 5 HOH D 13 493 493 HOH HOH . +J 5 HOH D 14 512 512 HOH HOH . +J 5 HOH D 15 517 517 HOH HOH . +J 5 HOH D 16 518 518 HOH HOH . +J 5 HOH D 17 524 524 HOH HOH . +J 5 HOH D 18 525 525 HOH HOH . +J 5 HOH D 19 529 529 HOH HOH . +J 5 HOH D 20 530 530 HOH HOH . +J 5 HOH D 21 533 533 HOH HOH . +J 5 HOH D 22 534 534 HOH HOH . +J 5 HOH D 23 535 535 HOH HOH . +J 5 HOH D 24 538 538 HOH HOH . +J 5 HOH D 25 539 539 HOH HOH . +J 5 HOH D 26 540 540 HOH HOH . +J 5 HOH D 27 547 547 HOH HOH . +J 5 HOH D 28 548 548 HOH HOH . +J 5 HOH D 29 549 549 HOH HOH . +J 5 HOH D 30 550 550 HOH HOH . +J 5 HOH D 31 551 551 HOH HOH . +J 5 HOH D 32 552 552 HOH HOH . +J 5 HOH D 33 553 553 HOH HOH . +J 5 HOH D 34 554 554 HOH HOH . +J 5 HOH D 35 556 556 HOH HOH . +J 5 HOH D 36 557 557 HOH HOH . +J 5 HOH D 37 558 558 HOH HOH . +J 5 HOH D 38 567 567 HOH HOH . +J 5 HOH D 39 582 582 HOH HOH . +J 5 HOH D 40 584 584 HOH HOH . +J 5 HOH D 41 585 585 HOH HOH . +J 5 HOH D 42 586 586 HOH HOH . +J 5 HOH D 43 587 587 HOH HOH . +J 5 HOH D 44 588 588 HOH HOH . +J 5 HOH D 45 591 591 HOH HOH . +J 5 HOH D 46 601 601 HOH HOH . +J 5 HOH D 47 607 607 HOH HOH . +J 5 HOH D 48 617 617 HOH HOH . +J 5 HOH D 49 621 621 HOH HOH . +J 5 HOH D 50 622 622 HOH HOH . +J 5 HOH D 51 624 624 HOH HOH . +J 5 HOH D 52 626 626 HOH HOH . +J 5 HOH D 53 633 633 HOH HOH . +J 5 HOH D 54 642 642 HOH HOH . +J 5 HOH D 55 643 643 HOH HOH . +J 5 HOH D 56 644 644 HOH HOH . +J 5 HOH D 57 666 666 HOH HOH . +J 5 HOH D 58 667 667 HOH HOH . +J 5 HOH D 59 668 668 HOH HOH . +J 5 HOH D 60 669 669 HOH HOH . +J 5 HOH D 61 683 683 HOH HOH . +J 5 HOH D 62 695 695 HOH HOH . +J 5 HOH D 63 696 696 HOH HOH . +J 5 HOH D 64 697 697 HOH HOH . +J 5 HOH D 65 713 713 HOH HOH . +J 5 HOH D 66 714 714 HOH HOH . +J 5 HOH D 67 742 742 HOH HOH . +J 5 HOH D 68 749 749 HOH HOH . +J 5 HOH D 69 752 752 HOH HOH . +J 5 HOH D 70 753 753 HOH HOH . +J 5 HOH D 71 755 755 HOH HOH . +K 5 HOH E 1 483 483 HOH HOH . +K 5 HOH E 2 484 484 HOH HOH . +K 5 HOH E 3 487 487 HOH HOH . +K 5 HOH E 4 488 488 HOH HOH . +K 5 HOH E 5 515 515 HOH HOH . +K 5 HOH E 6 516 516 HOH HOH . +K 5 HOH E 7 519 519 HOH HOH . +K 5 HOH E 8 520 520 HOH HOH . +K 5 HOH E 9 521 521 HOH HOH . +K 5 HOH E 10 531 531 HOH HOH . +K 5 HOH E 11 536 536 HOH HOH . +K 5 HOH E 12 537 537 HOH HOH . +K 5 HOH E 13 543 543 HOH HOH . +K 5 HOH E 14 544 544 HOH HOH . +K 5 HOH E 15 566 566 HOH HOH . +K 5 HOH E 16 570 570 HOH HOH . +K 5 HOH E 17 571 571 HOH HOH . +K 5 HOH E 18 577 577 HOH HOH . +K 5 HOH E 19 578 578 HOH HOH . +K 5 HOH E 20 579 579 HOH HOH . +K 5 HOH E 21 580 580 HOH HOH . +K 5 HOH E 22 581 581 HOH HOH . +K 5 HOH E 23 583 583 HOH HOH . +K 5 HOH E 24 590 590 HOH HOH . +K 5 HOH E 25 604 604 HOH HOH . +K 5 HOH E 26 605 605 HOH HOH . +K 5 HOH E 27 606 606 HOH HOH . +K 5 HOH E 28 618 618 HOH HOH . +K 5 HOH E 29 619 619 HOH HOH . +K 5 HOH E 30 620 620 HOH HOH . +K 5 HOH E 31 623 623 HOH HOH . +K 5 HOH E 32 625 625 HOH HOH . +K 5 HOH E 33 639 639 HOH HOH . +K 5 HOH E 34 640 640 HOH HOH . +K 5 HOH E 35 641 641 HOH HOH . +K 5 HOH E 36 646 646 HOH HOH . +K 5 HOH E 37 647 647 HOH HOH . +K 5 HOH E 38 684 684 HOH HOH . +K 5 HOH E 39 685 685 HOH HOH . +K 5 HOH E 40 686 686 HOH HOH . +K 5 HOH E 41 687 687 HOH HOH . +K 5 HOH E 42 688 688 HOH HOH . +K 5 HOH E 43 743 743 HOH HOH . +K 5 HOH E 44 750 750 HOH HOH . +K 5 HOH E 45 751 751 HOH HOH . +K 5 HOH E 46 754 754 HOH HOH . +K 5 HOH E 47 756 756 HOH HOH . +L 5 HOH F 1 491 491 HOH HOH . +L 5 HOH F 2 492 492 HOH HOH . +L 5 HOH F 3 494 494 HOH HOH . +L 5 HOH F 4 495 495 HOH HOH . +L 5 HOH F 5 496 496 HOH HOH . +L 5 HOH F 6 501 501 HOH HOH . +L 5 HOH F 7 503 503 HOH HOH . +L 5 HOH F 8 504 504 HOH HOH . +L 5 HOH F 9 507 507 HOH HOH . +L 5 HOH F 10 508 508 HOH HOH . +L 5 HOH F 11 509 509 HOH HOH . +L 5 HOH F 12 510 510 HOH HOH . +L 5 HOH F 13 513 513 HOH HOH . +L 5 HOH F 14 514 514 HOH HOH . +L 5 HOH F 15 522 522 HOH HOH . +L 5 HOH F 16 523 523 HOH HOH . +L 5 HOH F 17 526 526 HOH HOH . +L 5 HOH F 18 527 527 HOH HOH . +L 5 HOH F 19 528 528 HOH HOH . +L 5 HOH F 20 541 541 HOH HOH . +L 5 HOH F 21 542 542 HOH HOH . +L 5 HOH F 22 559 559 HOH HOH . +L 5 HOH F 23 560 560 HOH HOH . +L 5 HOH F 24 563 563 HOH HOH . +L 5 HOH F 25 564 564 HOH HOH . +L 5 HOH F 26 575 575 HOH HOH . +L 5 HOH F 27 589 589 HOH HOH . +L 5 HOH F 28 592 592 HOH HOH . +L 5 HOH F 29 596 596 HOH HOH . +L 5 HOH F 30 599 599 HOH HOH . +L 5 HOH F 31 602 602 HOH HOH . +L 5 HOH F 32 603 603 HOH HOH . +L 5 HOH F 33 608 608 HOH HOH . +L 5 HOH F 34 610 610 HOH HOH . +L 5 HOH F 35 613 613 HOH HOH . +L 5 HOH F 36 614 614 HOH HOH . +L 5 HOH F 37 615 615 HOH HOH . +L 5 HOH F 38 616 616 HOH HOH . +L 5 HOH F 39 627 627 HOH HOH . +L 5 HOH F 40 628 628 HOH HOH . +L 5 HOH F 41 629 629 HOH HOH . +L 5 HOH F 42 630 630 HOH HOH . +L 5 HOH F 43 632 632 HOH HOH . +L 5 HOH F 44 634 634 HOH HOH . +L 5 HOH F 45 637 637 HOH HOH . +L 5 HOH F 46 648 648 HOH HOH . +L 5 HOH F 47 649 649 HOH HOH . +L 5 HOH F 48 650 650 HOH HOH . +L 5 HOH F 49 651 651 HOH HOH . +L 5 HOH F 50 653 653 HOH HOH . +L 5 HOH F 51 658 658 HOH HOH . +L 5 HOH F 52 661 661 HOH HOH . +L 5 HOH F 53 662 662 HOH HOH . +L 5 HOH F 54 663 663 HOH HOH . +L 5 HOH F 55 670 670 HOH HOH . +L 5 HOH F 56 671 671 HOH HOH . +L 5 HOH F 57 673 673 HOH HOH . +L 5 HOH F 58 674 674 HOH HOH . +L 5 HOH F 59 675 675 HOH HOH . +L 5 HOH F 60 676 676 HOH HOH . +L 5 HOH F 61 678 678 HOH HOH . +L 5 HOH F 62 679 679 HOH HOH . +L 5 HOH F 63 681 681 HOH HOH . +L 5 HOH F 64 682 682 HOH HOH . +L 5 HOH F 65 689 689 HOH HOH . +L 5 HOH F 66 690 690 HOH HOH . +L 5 HOH F 67 691 691 HOH HOH . +L 5 HOH F 68 693 693 HOH HOH . +L 5 HOH F 69 703 703 HOH HOH . +L 5 HOH F 70 704 704 HOH HOH . +L 5 HOH F 71 711 711 HOH HOH . +L 5 HOH F 72 712 712 HOH HOH . +L 5 HOH F 73 716 716 HOH HOH . +L 5 HOH F 74 718 718 HOH HOH . +L 5 HOH F 75 748 748 HOH HOH . +M 5 HOH A 1 611 611 HOH HOH . +M 5 HOH A 2 654 654 HOH HOH . +M 5 HOH A 3 657 657 HOH HOH . +M 5 HOH A 4 705 705 HOH HOH . +M 5 HOH A 5 717 717 HOH HOH . +M 5 HOH A 6 719 719 HOH HOH . +M 5 HOH A 7 720 720 HOH HOH . +M 5 HOH A 8 721 721 HOH HOH . +M 5 HOH A 9 722 722 HOH HOH . +M 5 HOH A 10 723 723 HOH HOH . +M 5 HOH A 11 725 725 HOH HOH . +M 5 HOH A 12 726 726 HOH HOH . +M 5 HOH A 13 734 734 HOH HOH . +M 5 HOH A 14 735 735 HOH HOH . +M 5 HOH A 15 736 736 HOH HOH . +M 5 HOH A 16 737 737 HOH HOH . +M 5 HOH A 17 738 738 HOH HOH . +M 5 HOH A 18 744 744 HOH HOH . +M 5 HOH A 19 745 745 HOH HOH . +M 5 HOH A 20 746 746 HOH HOH . +M 5 HOH A 21 747 747 HOH HOH . +N 5 HOH B 1 532 532 HOH HOH . +N 5 HOH B 2 555 555 HOH HOH . +N 5 HOH B 3 638 638 HOH HOH . +N 5 HOH B 4 664 664 HOH HOH . +N 5 HOH B 5 665 665 HOH HOH . +N 5 HOH B 6 680 680 HOH HOH . +N 5 HOH B 7 694 694 HOH HOH . +N 5 HOH B 8 698 698 HOH HOH . +N 5 HOH B 9 727 727 HOH HOH . +N 5 HOH B 10 728 728 HOH HOH . +N 5 HOH B 11 729 729 HOH HOH . +N 5 HOH B 12 730 730 HOH HOH . +N 5 HOH B 13 731 731 HOH HOH . +N 5 HOH B 14 732 732 HOH HOH . +N 5 HOH B 15 733 733 HOH HOH . +N 5 HOH B 16 739 739 HOH HOH . +N 5 HOH B 17 740 740 HOH HOH . +N 5 HOH B 18 741 741 HOH HOH . +N 5 HOH B 19 757 757 HOH HOH . +N 5 HOH B 20 758 758 HOH HOH . +N 5 HOH B 21 759 759 HOH HOH . +N 5 HOH B 22 760 760 HOH HOH . +# +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details hexameric +_pdbx_struct_assembly.oligomeric_count 6 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1 +_pdbx_struct_oper_list.matrix[1][2] 0 +_pdbx_struct_oper_list.matrix[1][3] 0 +_pdbx_struct_oper_list.matrix[2][1] 0 +_pdbx_struct_oper_list.matrix[2][2] 1 +_pdbx_struct_oper_list.matrix[2][3] 0 +_pdbx_struct_oper_list.matrix[3][1] 0 +_pdbx_struct_oper_list.matrix[3][2] 0 +_pdbx_struct_oper_list.matrix[3][3] 1 +_pdbx_struct_oper_list.vector[1] 0 +_pdbx_struct_oper_list.vector[2] 0 +_pdbx_struct_oper_list.vector[3] 0 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2002-03-01 +2 'Structure model' 1 1 2008-04-26 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-10-04 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Refinement description' +# +_pdbx_audit_revision_category.ordinal 1 +_pdbx_audit_revision_category.revision_ordinal 4 +_pdbx_audit_revision_category.data_content_type 'Structure model' +_pdbx_audit_revision_category.category software +# +_software.classification refinement +_software.date . +_software.description . +_software.name X-PLOR +_software.type . +_software.version . +_software.pdbx_ordinal 1 +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 N A LYS 166 . . O A HOH 720 . . 1.97 +2 1 CA B GLY 200 . . O B HOH 532 . . 2 +3 1 C A ILE 165 . . O A HOH 720 . . 2.07 +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 C6 C DG 3 . . O6 C DG 3 . . 1.293 1.237 0.056 0.009000000000000001 N +2 1 C4 F DT 1 . . C5 F DT 1 . . 1.5010000000000001 1.445 0.056 0.009000000000000001 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 O3' C DA 2 . . P C DG 3 . . OP2 C DG 3 . . 117.7 110.5 7.2 1.1 Y +2 1 O3' C DG 3 . . P C DT 4 . . OP2 C DT 4 . . 118.65 110.5 8.15 1.1 Y +3 1 O5' C DT 4 . . P C DT 4 . . OP2 C DT 4 . . 100.21000000000001 105.7 -5.49 0.9 N +4 1 O3' C DT 4 . . P C DG 5 . . OP2 C DG 5 . . 120.26 110.5 9.76 1.1 Y +5 1 O3' D DT 13 . . P D DG 14 . . OP2 D DG 14 . . 117.41 110.5 6.91 1.1 Y +6 1 O3' D DG 14 . . P D DT 15 . . OP2 D DT 15 . . 119.37 110.5 8.870000000000001 1.1 Y +7 1 C5' D DT 22 . . C4' D DT 22 . . C3' D DT 22 . . 126.02 115.7 10.32 1.2000000000000002 N +8 1 O5' D DT 23 . . P D DT 23 . . OP1 D DT 23 . . 98.24000000000001 105.7 -7.46 0.9 N +9 1 N1 E DG 25 . . C6 E DG 25 . . O6 E DG 25 . . 113.15 119.9 -6.75 0.6000000000000001 N +10 1 C5 E DG 25 . . C6 E DG 25 . . O6 E DG 25 . . 132.74 128.6 4.14 0.6000000000000001 N +11 1 O4' E DC 14 . . C1' E DC 14 . . N1 E DC 14 . . 111.18 108.30000000000001 2.88 0.30000000000000004 N +12 1 N1 F DT 10 . . C1' F DT 10 . . C2' F DT 10 . . 124.14 114.30000000000001 9.84 1.4000000000000001 N +13 1 O4' F DT 8 . . C1' F DT 8 . . N1 F DT 8 . . 110.86 108.30000000000001 2.56 0.30000000000000004 N +14 1 O3' F DT 8 . . P F DC 7 . . OP2 F DC 7 . . 117.68 110.5 7.18 1.1 Y +15 1 O4' F DC 7 . . C1' F DC 7 . . N1 F DC 7 . . 112.23 108.30000000000001 3.93 0.30000000000000004 N +16 1 O3' F DT 1 . . P F DT -1 . . OP2 F DT -1 . . 117.53 110.5 7.03 1.1 Y +17 1 C3' F DG -4 . . C2' F DG -4 . . C1' F DG -4 . . 96.45 102.4 -5.95 0.8 N +18 1 C A GLN 153 . . N A PRO 154 . . CA A PRO 154 . . 130.75 119.30000000000001 11.450000000000001 1.5 Y +19 1 CA A CYS 178 . . CB A CYS 178 . . SG A CYS 178 . . 123.77 114.2 9.57 1.1 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 PHE A 14 . . -58.75 -70.93 +2 1 SER A 25 . . -47.2 158.81 +3 1 LYS A 26 . . 54.93 0.62 +4 1 GLU A 37 . . -160.15 -11.27 +5 1 GLU A 54 . . -49.09 -14.8 +6 1 LEU A 75 . . -42.52 -17.85 +7 1 GLN A 107 . . -58.82 1.71 +8 1 VAL A 108 . . -110.31 -73.94 +9 1 ASP A 155 . . -99.58 55.56 +10 1 ASN A 194 . . 80.54 27.71 +11 1 HIS A 199 . . 164.21 35.92 +12 1 VAL A 205 . . 85.34 87.55 +13 1 TYR A 206 . . 39.5 176.37 +14 1 HIS B 17 . . -67.14 3.74 +15 1 LYS B 26 . . 86.12 2.92 +16 1 GLU B 55 . . -89.03 34.9 +17 1 GLU B 77 . . -147.36 -34.14 +18 1 GLU B 78 . . 61.31 147.09 +19 1 LEU B 148 . . -79.97 -71.44 +20 1 ALA B 151 . . -66.67 60.84 +21 1 LYS B 152 . . -171.43 -54.58 +22 1 PRO B 154 . . -55.79 95.25 +23 1 ASP B 155 . . -173.31 -32.13 +24 1 THR B 158 . . -37.77 92.27 +25 1 MET B 163 . . -48.19 166.15 +26 1 CYS B 178 . . -153.64000000000001 -159.04 +27 1 ARG B 180 . . -24.5 -45.87 +28 1 ARG B 185 . . -39.17 -33.2 +29 1 MET B 189 . . -55.14 4.38 +30 1 ASP B 192 . . -51.78 -73.8 +31 1 GLN B 193 . . -40 -27.88 +32 1 ASN B 194 . . 89.91 23.95 +33 1 HIS B 199 . . 176.66 87.28 +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 N 1 A CMP 762 . O2' . G CMP 1 O2' +2 1 N 1 B CMP 761 . O2' . H CMP 1 O2' +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 y 1 1 A VAL 1 ? E VAL 1 +2 y 1 1 A LEU 2 ? E LEU 2 +3 y 1 1 A GLY 3 ? E GLY 3 +4 y 1 1 A LYS 4 ? E LYS 4 +5 y 1 1 A PRO 5 ? E PRO 5 +6 y 1 1 A GLN 6 ? E GLN 6 +7 y 1 1 A THR 7 ? E THR 7 +8 y 1 1 A ASP 8 ? E ASP 8 +9 y 1 1 A THR 208 ? E THR 208 +10 y 1 1 A ARG 209 ? E ARG 209 +11 y 1 1 B VAL 1 ? F VAL 1 +12 y 1 1 B LEU 2 ? F LEU 2 +13 y 1 1 B GLY 3 ? F GLY 3 +14 y 1 1 B LYS 4 ? F LYS 4 +15 y 1 1 B PRO 5 ? F PRO 5 +16 y 1 1 B GLN 6 ? F GLN 6 +17 y 1 1 B THR 7 ? F THR 7 +18 y 1 1 B ASP 8 ? F ASP 8 +19 y 1 1 B TYR 206 ? F TYR 206 +20 y 1 1 B GLY 207 ? F GLY 207 +21 y 1 1 B THR 208 ? F THR 208 +22 y 1 1 B ARG 209 ? F ARG 209 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +1J59 'double helix' +1J59 'b-form double helix' +1J59 'mismatched base pair' +1J59 'triple helix' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A DC 2 1_555 D DG 17 1_555 0.9590000000000001 -0.396 -0.493 11.186 -11.164 6.525 1 C_DC-4:DG-4_F C -4 . F -4 . 19 1 +1 A DG 3 1_555 D DC 16 1_555 -0.138 -0.324 0.40800000000000003 9.213000000000001 -5.058 -4.1610000000000005 2 C_DG-3:DC-3_F C -3 . F -3 . 19 1 +1 A DA 4 1_555 D DT 15 1_555 0.387 -0.313 -0.847 2.019 -28.391000000000002 3.9530000000000003 3 C_DA-2:DT-2_F C -2 . F -2 . 20 1 +1 A DA 5 1_555 D DT 14 1_555 0.074 -0.048 0.167 -4.233 -15.387 1.905 4 C_DA-1:DT-1_F C -1 . F -1 . 20 1 +1 A DA 6 1_555 D DT 13 1_555 0.158 -0.108 1.125 23.001 -10.768 -1.582 5 C_DA1:DT1_F C 1 . F 1 . 20 1 +1 A DA 7 1_555 D DT 12 1_555 0.36 -0.394 0.987 1.77 -12.129 1.497 6 C_DA2:DT2_F C 2 . F 2 . 20 1 +1 A DG 8 1_555 D DC 11 1_555 -0.618 -0.426 1.5110000000000001 13.122 -26.254 -1.694 7 C_DG3:DC3_F C 3 . F 3 . 19 1 +1 A DT 9 1_555 D DA 10 1_555 -0.353 0.246 -0.324 -19.725 -13.195 0.203 8 C_DT4:DA4_F C 4 . F 4 . 20 1 +1 A DG 10 1_555 D DC 9 1_555 -0.228 -0.129 -0.356 -8.646 6.3180000000000005 3.223 9 C_DG5:DC5_F C 5 . F 5 . 19 1 +1 A DT 11 1_555 D DA 8 1_555 0.301 -0.199 -0.195 24.97 15.530000000000001 -4.503 10 C_DT6:DA6_F C 6 . F 6 . 20 1 +1 A DG 12 1_555 D DC 7 1_555 -0.082 0.047 -0.633 -34.551 2.5180000000000002 -5.059 11 C_DG7:DC7_F C 7 . F 7 . 19 1 +1 A DA 13 1_555 D DT 6 1_555 -0.388 0.035 -0.588 -20.881 -6.413 5.176 12 C_DA8:DT8_F C 8 . F 8 . 20 1 +1 A DC 14 1_555 D DG 5 1_555 0.27 -0.061 0.089 5.9110000000000005 -16.971 -1.24 13 C_DC9:DG9_F C 9 . F 9 . 19 1 +1 B DA 1 1_555 D DT 4 1_555 0.055 -0.13 -0.376 -16.479 -7.707 -2.575 14 D_DA10:DT10_F D 10 . F 10 . 20 1 +1 B DT 2 1_555 D DA 3 1_555 0.2 -0.048 -1.742 3.298 -11.162 5.471 15 D_DT11:DA11_F D 11 . F 11 . 20 1 +1 B DA 3 1_555 D DT 2 1_555 -0.598 -0.483 0.912 8.843 2.017 -1.57 16 D_DA12:DT12_F D 12 . F 12 . 20 1 +1 B DT 4 1_555 D DA 1 1_555 0.168 0.40800000000000003 -0.228 41.233000000000004 16.529 1.038 17 D_DT13:DA13_F D 13 . F 13 . 20 1 +1 B DG 5 1_555 C DC 14 1_555 0.893 0.14200000000000002 -0.446 2.598 -15.977 3.988 18 D_DG14:DC14_E D 14 . E 14 . 19 1 +1 B DT 6 1_555 C DA 13 1_555 -0.786 0.157 0.618 -1.5070000000000001 7.178 3.511 19 D_DT15:DA15_E D 15 . E 15 . 20 1 +1 B DC 7 1_555 C DG 12 1_555 -0.025 -0.733 -1.467 14.197000000000001 -22.242 14.071 20 D_DC16:DG16_E D 16 . E 16 . 19 1 +1 B DA 8 1_555 C DT 11 1_555 -0.6960000000000001 -0.168 -0.879 -18.89 -10.56 16.366 21 D_DA17:DT17_E D 17 . E 17 . 20 1 +1 B DC 9 1_555 C DG 10 1_555 0.214 0.051000000000000004 0.271 -13.247 -2.07 -6.026 22 D_DC18:DG18_E D 18 . E 18 . 19 1 +1 B DA 10 1_555 C DT 9 1_555 -0.033 0.136 0.177 27.6 7.714 -1.933 23 D_DA19:DT19_E D 19 . E 19 . 20 1 +1 B DC 11 1_555 C DG 8 1_555 1.377 -0.8250000000000001 1.3840000000000001 -10.968 -1.245 8.620000000000001 24 D_DC20:DG20_E D 20 . E 20 . 19 1 +1 B DT 12 1_555 C DA 7 1_555 -0.47700000000000004 -1.213 2.193 -16.792 -6.9990000000000006 -12.376 25 D_DT21:DA21_E D 21 . E 21 . 20 1 +1 B DT 13 1_555 C DA 6 1_555 -1.173 -0.36 1.044 -20.851 -25.338 -5.047 26 D_DT22:DA22_E D 22 . E 22 . 20 1 +1 B DT 14 1_555 C DA 5 1_555 0.512 -0.176 -0.28300000000000003 -9.335 -2.045 -18.922 27 D_DT23:DA23_E D 23 . E 23 . 20 1 +1 B DT 15 1_555 C DA 4 1_555 0.047 -0.167 0.305 -32.202 -28.895 -3.6550000000000002 28 D_DT24:DA24_E D 24 . E 24 . 20 1 +1 B DC 16 1_555 C DG 3 1_555 0.597 0.294 -0.791 -3.8120000000000003 -16.984 4.7090000000000005 29 D_DC25:DG25_E D 25 . E 25 . 19 1 +1 B DG 17 1_555 C DC 2 1_555 -1.341 -0.196 -0.038 -17.037 -13.953 7.998 30 D_DG26:DC26_E D 26 . E 26 . 19 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A DC 2 1_555 D DG 17 1_555 A DG 3 1_555 D DC 16 1_555 0.713 1.285 3.555 0.428 5.114 24.783 1.256 -1.487 3.751 11.754 -0.984 25.3 1 CC_DC-4DG-3:DC-3DG-4_FF C -4 . F -4 . C -3 . F -3 . +1 A DG 3 1_555 D DC 16 1_555 A DA 4 1_555 D DT 15 1_555 -0.442 1.692 3.692 4.022 5.48 37.052 1.797 1.29 3.8280000000000003 8.536 -6.264 37.649 2 CC_DG-3DA-2:DT-2DC-3_FF C -3 . F -3 . C -2 . F -2 . +1 A DA 4 1_555 D DT 15 1_555 A DA 5 1_555 D DT 14 1_555 -0.542 0.295 3.1390000000000002 -8.262 8.329 36.304 -0.593 -0.20600000000000002 3.173 12.958 12.853 38.091 3 CC_DA-2DA-1:DT-1DT-2_FF C -2 . F -2 . C -1 . F -1 . +1 A DA 5 1_555 D DT 14 1_555 A DA 6 1_555 D DT 13 1_555 0.331 -0.503 2.585 -6.609 -20.957 40.498 0.859 -0.899 2.471 -27.935000000000002 8.809000000000001 45.854 4 CC_DA-1DA1:DT1DT-1_FF C -1 . F -1 . C 1 . F 1 . +1 A DA 6 1_555 D DT 13 1_555 A DA 7 1_555 D DT 12 1_555 0.444 -0.621 3.743 1.937 -3.157 35.730000000000004 -0.486 -0.4 3.8000000000000003 -5.128 -3.1470000000000002 35.916000000000004 5 CC_DA1DA2:DT2DT1_FF C 1 . F 1 . C 2 . F 2 . +1 A DA 7 1_555 D DT 12 1_555 A DG 8 1_555 D DC 11 1_555 0.519 -1.083 2.803 4.749 -12.298 32.424 -0.074 -0.197 3.0460000000000003 -20.974 -8.1 34.935 6 CC_DA2DG3:DC3DT2_FF C 2 . F 2 . C 3 . F 3 . +1 A DG 8 1_555 D DC 11 1_555 A DT 9 1_555 D DA 10 1_555 0.292 -0.6990000000000001 4.074 13.642 14.503 33.716 -3.205 1.592 3.386 22.715 -21.366 39.008 7 CC_DG3DT4:DA4DC3_FF C 3 . F 3 . C 4 . F 4 . +1 A DT 9 1_555 D DA 10 1_555 A DG 10 1_555 D DC 9 1_555 0.274 1.942 3.24 4.502 -4.423 44.536 2.9250000000000003 0.034 3.056 -5.801 -5.905 44.958 8 CC_DT4DG5:DC5DA4_FF C 4 . F 4 . C 5 . F 5 . +1 A DG 10 1_555 D DC 9 1_555 A DT 11 1_555 D DA 8 1_555 -0.056 0.8140000000000001 2.392 -1.985 10.502 26.477 -0.218 -0.24 2.5220000000000002 21.832 4.127 28.518 9 CC_DG5DT6:DA6DC5_FF C 5 . F 5 . C 6 . F 6 . +1 A DT 11 1_555 D DA 8 1_555 A DG 12 1_555 D DC 7 1_555 -0.216 1.331 5.445 1.2650000000000001 52.096000000000004 15.514000000000001 -5.267 0.401 2.878 74.546 -1.81 54.217 10 CC_DT6DG7:DC7DA6_FF C 6 . F 6 . C 7 . F 7 . +1 A DG 12 1_555 D DC 7 1_555 A DA 13 1_555 D DT 6 1_555 -1.233 2.145 3.04 -11.823 3.702 30.387 3.14 0.069 3.497 6.722 21.468 32.761 11 CC_DG7DA8:DT8DC7_FF C 7 . F 7 . C 8 . F 8 . +1 A DA 13 1_555 D DT 6 1_555 A DC 14 1_555 D DG 5 1_555 -0.6880000000000001 -0.334 2.725 -5.815 -6.45 34.663000000000004 0.258 0.399 2.815 -10.620000000000001 9.575000000000001 35.702 12 CC_DA8DC9:DG9DT8_FF C 8 . F 8 . C 9 . F 9 . +1 A DC 14 1_555 D DG 5 1_555 B DA 1 1_555 D DT 4 1_555 0.895 -0.062 3.927 4.843 -5.932 36.550000000000004 0.86 -0.618 3.971 -9.332 -7.619 37.316 13 CD_DC9DA10:DT10DG9_FF C 9 . F 9 . D 10 . F 10 . +1 B DA 1 1_555 D DT 4 1_555 B DT 2 1_555 D DA 3 1_555 -0.019 0.665 2.898 11.618 14.649000000000001 31.185000000000002 -0.854 1.557 2.761 24.669 -19.565 36.24 14 DD_DA10DT11:DA11DT10_FF D 10 . F 10 . D 11 . F 11 . +1 B DT 2 1_555 D DA 3 1_555 B DA 3 1_555 D DT 2 1_555 -0.299 0.687 3.535 -21.133 -5.237 30.707 1.827 -2.594 2.983 -8.657 34.936 37.49 15 DD_DT11DA12:DT12DA11_FF D 11 . F 11 . D 12 . F 12 . +1 B DA 3 1_555 D DT 2 1_555 B DT 4 1_555 D DA 1 1_555 0.517 -0.975 2.5220000000000002 5.835 -7.715 33.619 -0.671 -0.14 2.722 -13.007 -9.838000000000001 34.944 16 DD_DA12DT13:DA13DT12_FF D 12 . F 12 . D 13 . F 13 . +1 B DT 4 1_555 D DA 1 1_555 B DG 5 1_555 C DC 14 1_555 0.684 -0.297 4.352 13.365 2.6430000000000002 45.166000000000004 -0.668 0.638 4.353 3.352 -16.951 47.073 17 DD_DT13DG14:DC14DA13_EF D 13 . F 13 . D 14 . E 14 . +1 B DG 5 1_555 C DC 14 1_555 B DT 6 1_555 C DA 13 1_555 0.15 -0.32 3.1910000000000003 -3.742 7.655 26.256 -2.465 -1.191 2.9330000000000003 16.314 7.974 27.580000000000002 18 DD_DG14DT15:DA15DC14_EE D 14 . E 14 . D 15 . E 15 . +1 B DT 6 1_555 C DA 13 1_555 B DC 7 1_555 C DG 12 1_555 -0.109 1.77 2.915 18.235 12.254 37.288000000000004 1.233 1.9000000000000001 2.979 17.439 -25.95 43.08 19 DD_DT15DC16:DG16DA15_EE D 15 . E 15 . D 16 . E 16 . +1 B DC 7 1_555 C DG 12 1_555 B DA 8 1_555 C DT 11 1_555 -0.487 2.362 4.527 -6.131 34.504 10.32 -5.748 -0.914 3.609 72.956 12.965 36.487 20 DD_DC16DA17:DT17DG16_EE D 16 . E 16 . D 17 . E 17 . +1 B DA 8 1_555 C DT 11 1_555 B DC 9 1_555 C DG 10 1_555 -0.512 0.307 3.516 -6.744 4.071 27.003 -0.421 -0.6910000000000001 3.545 8.492 14.068 28.109 21 DD_DA17DC18:DG18DT17_EE D 17 . E 17 . D 18 . E 18 . +1 B DC 9 1_555 C DG 10 1_555 B DA 10 1_555 C DT 9 1_555 0.33 1.362 2.44 -3.858 -3.109 39.351 2.2720000000000002 -0.8140000000000001 2.289 -4.595 5.7010000000000005 39.649 22 DD_DC18DA19:DT19DG18_EE D 18 . E 18 . D 19 . E 19 . +1 B DA 10 1_555 C DT 9 1_555 B DC 11 1_555 C DG 8 1_555 0.21 -1.409 4.371 -15.438 -3.744 43.945 -1.357 -2.0140000000000002 4.1770000000000005 -4.819 19.874 46.594 23 DD_DA19DC20:DG20DT19_EE D 19 . E 19 . D 20 . E 20 . +1 B DC 11 1_555 C DG 8 1_555 B DT 12 1_555 C DA 7 1_555 -1.433 -1.191 3.216 -5.509 -10.275 21.862000000000002 0.709 1.476 3.65 -24.939 13.372 24.743000000000002 24 DD_DC20DT21:DA21DG20_EE D 20 . E 20 . D 21 . E 21 . +1 B DT 12 1_555 C DA 7 1_555 B DT 13 1_555 C DA 6 1_555 0.145 -1.443 3.09 12.308 -5.232 35.279 -1.565 1.352 3.142 -8.275 -19.466 37.653 25 DD_DT21DT22:DA22DA21_EE D 21 . E 21 . D 22 . E 22 . +1 B DT 13 1_555 C DA 6 1_555 B DT 14 1_555 C DA 5 1_555 -0.585 -0.734 2.735 3.923 -15.327 48.995000000000005 0.064 0.909 2.782 -17.947 -4.593 51.336 26 DD_DT22DT23:DA23DA22_EE D 22 . E 22 . D 23 . E 23 . +1 B DT 14 1_555 C DA 5 1_555 B DT 15 1_555 C DA 4 1_555 0.384 -0.448 3.551 3.61 1.575 36.573 -0.9440000000000001 -0.074 3.5500000000000003 2.501 -5.7330000000000005 36.777 27 DD_DT23DT24:DA24DA23_EE D 23 . E 23 . D 24 . E 24 . +1 B DT 15 1_555 C DA 4 1_555 B DC 16 1_555 C DG 3 1_555 1.387 0.494 3.065 8.399000000000001 8.863 29.875 -0.716 -0.978 3.333 16.358 -15.501 32.221000000000004 28 DD_DT24DC25:DG25DA24_EE D 24 . E 24 . D 25 . E 25 . +1 B DC 16 1_555 C DG 3 1_555 B DG 17 1_555 C DC 2 1_555 -1.377 1.456 3.592 -12.619 11.507 22.557000000000002 -0.525 -1.025 4.075 25.276 27.72 28.226 29 DD_DC25DG26:DC26DG25_EE D 25 . E 25 . D 26 . E 26 . +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.name +4 CMP "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" +5 HOH water # -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 54 +_model_server_stats.io_time_ms 9 +_model_server_stats.parse_time_ms 71 +_model_server_stats.create_model_time_ms 18 +_model_server_stats.query_time_ms 236 +_model_server_stats.encode_time_ms 90 +_model_server_stats.element_count 4718 # diff --git a/src/test/resources/cif/1j59.cif.gz b/src/test/resources/cif/1j59.cif.gz index 96cde9341..c61a7ab30 100644 Binary files a/src/test/resources/cif/1j59.cif.gz and b/src/test/resources/cif/1j59.cif.gz differ diff --git a/src/test/resources/cif/1onx.cif b/src/test/resources/cif/1onx.cif new file mode 100644 index 000000000..790f513cf --- /dev/null +++ b/src/test/resources/cif/1onx.cif @@ -0,0 +1,8807 @@ +data_1ONX +# +_entry.id 1ONX +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.286 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +PDB 1ONX +RCSB RCSB018484 +WWPDB D_1000018484 +# +_pdbx_database_related.db_name PDB +_pdbx_database_related.db_id 1ONW +_pdbx_database_related.details 'same protein in uncomplexed form' +_pdbx_database_related.content_type unspecified +# +_pdbx_database_status.status_code REL +_pdbx_database_status.entry_id 1ONX +_pdbx_database_status.recvd_initial_deposition_date 2003-03-02 +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.SG_entry . +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +'Thoden, J.B.' 1 +'Marti-Arbona, R.' 2 +'Raushel, F.M.' 3 +'Holden, H.M.' 4 +# +_citation.id primary +_citation.title +;High Resolution X-ray Structure of Isoaspartyl +Dipeptidase from Escherichia coli +; +_citation.journal_abbrev Biochemistry +_citation.journal_volume 42 +_citation.page_first 4874 +_citation.page_last 4882 +_citation.year 2003 +_citation.journal_id_ASTM BICHAW +_citation.country US +_citation.journal_id_ISSN 0006-2960 +_citation.journal_id_CSD 0033 +_citation.book_publisher ? +_citation.pdbx_database_id_PubMed 12718528 +_citation.pdbx_database_id_DOI 10.1021/bi034233p +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Thoden, J.B.' 1 +primary 'Marti-Arbona, R.' 2 +primary 'Raushel, F.M.' 3 +primary 'Holden, H.M.' 4 +# +_cell.entry_id 1ONX +_cell.length_a 119.100 +_cell.length_b 119.100 +_cell.length_c 138.100 +_cell.angle_alpha 90.00 +_cell.angle_beta 90.00 +_cell.angle_gamma 90.00 +_cell.Z_PDB 16 +_cell.pdbx_unique_axis ? +_cell.length_a_esd ? +_cell.length_b_esd ? +_cell.length_c_esd ? +_cell.angle_alpha_esd ? +_cell.angle_beta_esd ? +_cell.angle_gamma_esd ? +# +_symmetry.entry_id 1ONX +_symmetry.space_group_name_H-M 'P 4 21 2' +_symmetry.pdbx_full_space_group_name_H-M ? +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 90 +_symmetry.space_group_name_Hall ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer man 'Isoaspartyl dipeptidase' 41167.758 2 3.4.19.- ? ? ? +2 non-polymer syn 'ZINC ION' 65.409 4 ? ? ? ? +3 non-polymer syn 'ASPARTIC ACID' 133.103 2 ? ? ? ? +4 water nat water 18.015 257 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type 'polypeptide(L)' +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer yes +_entity_poly.pdbx_seq_one_letter_code +;MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGP +TTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIG +V(KCX)CAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVP +LFEQALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSQPFFDDEGNLTHIGVAGFETLLETVQV +LVKDYDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFETA +; +_entity_poly.pdbx_seq_one_letter_code_can +;MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGP +TTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIG +VKCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQ +ALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSQPFFDDEGNLTHIGVAGFETLLETVQVLVKD +YDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFETA +; +_entity_poly.pdbx_strand_id A,B +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 MET n +1 2 ILE n +1 3 ASP n +1 4 TYR n +1 5 THR n +1 6 ALA n +1 7 ALA n +1 8 GLY n +1 9 PHE n +1 10 THR n +1 11 LEU n +1 12 LEU n +1 13 GLN n +1 14 GLY n +1 15 ALA n +1 16 HIS n +1 17 LEU n +1 18 TYR n +1 19 ALA n +1 20 PRO n +1 21 GLU n +1 22 ASP n +1 23 ARG n +1 24 GLY n +1 25 ILE n +1 26 CYS n +1 27 ASP n +1 28 VAL n +1 29 LEU n +1 30 VAL n +1 31 ALA n +1 32 ASN n +1 33 GLY n +1 34 LYS n +1 35 ILE n +1 36 ILE n +1 37 ALA n +1 38 VAL n +1 39 ALA n +1 40 SER n +1 41 ASN n +1 42 ILE n +1 43 PRO n +1 44 SER n +1 45 ASP n +1 46 ILE n +1 47 VAL n +1 48 PRO n +1 49 ASN n +1 50 CYS n +1 51 THR n +1 52 VAL n +1 53 VAL n +1 54 ASP n +1 55 LEU n +1 56 SER n +1 57 GLY n +1 58 GLN n +1 59 ILE n +1 60 LEU n +1 61 CYS n +1 62 PRO n +1 63 GLY n +1 64 PHE n +1 65 ILE n +1 66 ASP n +1 67 GLN n +1 68 HIS n +1 69 VAL n +1 70 HIS n +1 71 LEU n +1 72 ILE n +1 73 GLY n +1 74 GLY n +1 75 GLY n +1 76 GLY n +1 77 GLU n +1 78 ALA n +1 79 GLY n +1 80 PRO n +1 81 THR n +1 82 THR n +1 83 ARG n +1 84 THR n +1 85 PRO n +1 86 GLU n +1 87 VAL n +1 88 ALA n +1 89 LEU n +1 90 SER n +1 91 ARG n +1 92 LEU n +1 93 THR n +1 94 GLU n +1 95 ALA n +1 96 GLY n +1 97 VAL n +1 98 THR n +1 99 SER n +1 100 VAL n +1 101 VAL n +1 102 GLY n +1 103 LEU n +1 104 LEU n +1 105 GLY n +1 106 THR n +1 107 ASP n +1 108 SER n +1 109 ILE n +1 110 SER n +1 111 ARG n +1 112 HIS n +1 113 PRO n +1 114 GLU n +1 115 SER n +1 116 LEU n +1 117 LEU n +1 118 ALA n +1 119 LYS n +1 120 THR n +1 121 ARG n +1 122 ALA n +1 123 LEU n +1 124 ASN n +1 125 GLU n +1 126 GLU n +1 127 GLY n +1 128 ILE n +1 129 SER n +1 130 ALA n +1 131 TRP n +1 132 MET n +1 133 LEU n +1 134 THR n +1 135 GLY n +1 136 ALA n +1 137 TYR n +1 138 HIS n +1 139 VAL n +1 140 PRO n +1 141 SER n +1 142 ARG n +1 143 THR n +1 144 ILE n +1 145 THR n +1 146 GLY n +1 147 SER n +1 148 VAL n +1 149 GLU n +1 150 LYS n +1 151 ASP n +1 152 VAL n +1 153 ALA n +1 154 ILE n +1 155 ILE n +1 156 ASP n +1 157 ARG n +1 158 VAL n +1 159 ILE n +1 160 GLY n +1 161 VAL n +1 162 KCX n +1 163 CYS n +1 164 ALA n +1 165 ILE n +1 166 SER n +1 167 ASP n +1 168 HIS n +1 169 ARG n +1 170 SER n +1 171 ALA n +1 172 ALA n +1 173 PRO n +1 174 ASP n +1 175 VAL n +1 176 TYR n +1 177 HIS n +1 178 LEU n +1 179 ALA n +1 180 ASN n +1 181 MET n +1 182 ALA n +1 183 ALA n +1 184 GLU n +1 185 SER n +1 186 ARG n +1 187 VAL n +1 188 GLY n +1 189 GLY n +1 190 LEU n +1 191 LEU n +1 192 GLY n +1 193 GLY n +1 194 LYS n +1 195 PRO n +1 196 GLY n +1 197 VAL n +1 198 THR n +1 199 VAL n +1 200 PHE n +1 201 HIS n +1 202 MET n +1 203 GLY n +1 204 ASP n +1 205 SER n +1 206 LYS n +1 207 LYS n +1 208 ALA n +1 209 LEU n +1 210 GLN n +1 211 PRO n +1 212 ILE n +1 213 TYR n +1 214 ASP n +1 215 LEU n +1 216 LEU n +1 217 GLU n +1 218 ASN n +1 219 CYS n +1 220 ASP n +1 221 VAL n +1 222 PRO n +1 223 ILE n +1 224 SER n +1 225 LYS n +1 226 LEU n +1 227 LEU n +1 228 PRO n +1 229 THR n +1 230 HIS n +1 231 VAL n +1 232 ASN n +1 233 ARG n +1 234 ASN n +1 235 VAL n +1 236 PRO n +1 237 LEU n +1 238 PHE n +1 239 GLU n +1 240 GLN n +1 241 ALA n +1 242 LEU n +1 243 GLU n +1 244 PHE n +1 245 ALA n +1 246 ARG n +1 247 LYS n +1 248 GLY n +1 249 GLY n +1 250 THR n +1 251 ILE n +1 252 ASP n +1 253 ILE n +1 254 THR n +1 255 SER n +1 256 SER n +1 257 ILE n +1 258 ASP n +1 259 GLU n +1 260 PRO n +1 261 VAL n +1 262 ALA n +1 263 PRO n +1 264 ALA n +1 265 GLU n +1 266 GLY n +1 267 ILE n +1 268 ALA n +1 269 ARG n +1 270 ALA n +1 271 VAL n +1 272 GLN n +1 273 ALA n +1 274 GLY n +1 275 ILE n +1 276 PRO n +1 277 LEU n +1 278 ALA n +1 279 ARG n +1 280 VAL n +1 281 THR n +1 282 LEU n +1 283 SER n +1 284 SER n +1 285 ASP n +1 286 GLY n +1 287 ASN n +1 288 GLY n +1 289 SER n +1 290 GLN n +1 291 PRO n +1 292 PHE n +1 293 PHE n +1 294 ASP n +1 295 ASP n +1 296 GLU n +1 297 GLY n +1 298 ASN n +1 299 LEU n +1 300 THR n +1 301 HIS n +1 302 ILE n +1 303 GLY n +1 304 VAL n +1 305 ALA n +1 306 GLY n +1 307 PHE n +1 308 GLU n +1 309 THR n +1 310 LEU n +1 311 LEU n +1 312 GLU n +1 313 THR n +1 314 VAL n +1 315 GLN n +1 316 VAL n +1 317 LEU n +1 318 VAL n +1 319 LYS n +1 320 ASP n +1 321 TYR n +1 322 ASP n +1 323 PHE n +1 324 SER n +1 325 ILE n +1 326 SER n +1 327 ASP n +1 328 ALA n +1 329 LEU n +1 330 ARG n +1 331 PRO n +1 332 LEU n +1 333 THR n +1 334 SER n +1 335 SER n +1 336 VAL n +1 337 ALA n +1 338 GLY n +1 339 PHE n +1 340 LEU n +1 341 ASN n +1 342 LEU n +1 343 THR n +1 344 GLY n +1 345 LYS n +1 346 GLY n +1 347 GLU n +1 348 ILE n +1 349 LEU n +1 350 PRO n +1 351 GLY n +1 352 ASN n +1 353 ASP n +1 354 ALA n +1 355 ASP n +1 356 LEU n +1 357 LEU n +1 358 VAL n +1 359 MET n +1 360 THR n +1 361 PRO n +1 362 GLU n +1 363 LEU n +1 364 ARG n +1 365 ILE n +1 366 GLU n +1 367 GLN n +1 368 VAL n +1 369 TYR n +1 370 ALA n +1 371 ARG n +1 372 GLY n +1 373 LYS n +1 374 LEU n +1 375 MET n +1 376 VAL n +1 377 LYS n +1 378 ASP n +1 379 GLY n +1 380 LYS n +1 381 ALA n +1 382 CYS n +1 383 VAL n +1 384 LYS n +1 385 GLY n +1 386 THR n +1 387 PHE n +1 388 GLU n +1 389 THR n +1 390 ALA n +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_alt_source_flag sample +_entity_src_gen.pdbx_seq_type ? +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +_entity_src_gen.gene_src_common_name ? +_entity_src_gen.gene_src_genus Escherichia +_entity_src_gen.pdbx_gene_src_gene 'IADA OR B4328' +_entity_src_gen.gene_src_species ? +_entity_src_gen.gene_src_strain ? +_entity_src_gen.gene_src_tissue ? +_entity_src_gen.gene_src_tissue_fraction ? +_entity_src_gen.gene_src_details ? +_entity_src_gen.pdbx_gene_src_fragment ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 562 +_entity_src_gen.pdbx_gene_src_variant ? +_entity_src_gen.pdbx_gene_src_cell_line ? +_entity_src_gen.pdbx_gene_src_atcc ? +_entity_src_gen.pdbx_gene_src_organ ? +_entity_src_gen.pdbx_gene_src_organelle ? +_entity_src_gen.pdbx_gene_src_cell ? +_entity_src_gen.pdbx_gene_src_cellular_location ? +_entity_src_gen.host_org_common_name ? +_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' +_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 +_entity_src_gen.host_org_genus Escherichia +_entity_src_gen.pdbx_host_org_gene ? +_entity_src_gen.pdbx_host_org_organ ? +_entity_src_gen.host_org_species ? +_entity_src_gen.pdbx_host_org_tissue ? +_entity_src_gen.pdbx_host_org_tissue_fraction ? +_entity_src_gen.pdbx_host_org_strain 'BL21(DE3)star' +_entity_src_gen.pdbx_host_org_variant ? +_entity_src_gen.pdbx_host_org_cell_line ? +_entity_src_gen.pdbx_host_org_atcc ? +_entity_src_gen.pdbx_host_org_culture_collection ? +_entity_src_gen.pdbx_host_org_cell ? +_entity_src_gen.pdbx_host_org_organelle ? +_entity_src_gen.pdbx_host_org_cellular_location ? +_entity_src_gen.pdbx_host_org_vector_type plasmid +_entity_src_gen.pdbx_host_org_vector ? +_entity_src_gen.host_org_details ? +_entity_src_gen.expression_system_id ? +_entity_src_gen.plasmid_name ? +_entity_src_gen.plasmid_details ? +_entity_src_gen.pdbx_description ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code IADA_ECOLI +_struct_ref.pdbx_db_accession P39377 +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code +;MIDYTAAGFTLLQGAHLYAPEDRGICDVLVANGKIIAVASNIPSDIVPNCTVVDLSGQILCPGFIDQHVHLIGGGGEAGP +TTRTPEVALSRLTEAGVTSVVGLLGTDSISRHPESLLAKTRALNEEGISAWMLTGAYHVPSRTITGSVEKDVAIIDRVIG +VKCAISDHRSAAPDVYHLANMAAESRVGGLLGGKPGVTVFHMGDSKKALQPIYDLLENCDVPISKLLPTHVNRNVPLFEQ +ALEFARKGGTIDITSSIDEPVAPAEGIARAVQAGIPLARVTLSSDGNGSQPFFDDEGNLTHIGVAGFETLLETVQVLVKD +YDFSISDALRPLTSSVAGFLNLTGKGEILPGNDADLLVMTPELRIEQVYARGKLMVKDGKACVKGTFETA +; +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_db_isoform ? +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1ONX A 1 ? 390 ? P39377 1 ? 390 ? 1 390 +2 1 1ONX B 1 ? 390 ? P39377 1 ? 390 ? 1 390 +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 +ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 +ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 +ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 +CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 +GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 +GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 +GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 +HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 +HOH non-polymer . WATER ? 'H2 O' 18.015 +ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 +KCX 'L-peptide linking' n 'LYSINE NZ-CARBOXYLIC ACID' ? 'C7 H14 N2 O4' 190.197 +LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 +LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 +MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 +PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 +PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 +SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 +THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 +TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 +TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 +VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 +ZN non-polymer . 'ZINC ION' ? 'Zn 2' 65.409 +# +_exptl.entry_id 1ONX +_exptl.method 'X-RAY DIFFRACTION' +_exptl.crystals_number 1 +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas ? +_exptl_crystal.density_Matthews 2.89 +_exptl_crystal.density_percent_sol 57.10 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.preparation ? +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.temp 295 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.pH 5.0 +_exptl_crystal_grow.pdbx_details +'PEG8000, homopipes, magnesium chloride, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp 277 +_diffrn.ambient_temp_details ? +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'AREA DETECTOR' +_diffrn_detector.type 'SIEMENS HI-STAR' +_diffrn_detector.pdbx_collection_date 2003-01-20 +_diffrn_detector.details +;supper "long" mirrors +; +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator 'Ni FILTER' +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.5418 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source 'ROTATING ANODE' +_diffrn_source.type 'RIGAKU RU200' +_diffrn_source.pdbx_synchrotron_site ? +_diffrn_source.pdbx_synchrotron_beamline ? +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_wavelength_list 1.5418 +# +_reflns.entry_id 1ONX +_reflns.observed_criterion_sigma_F 0 +_reflns.observed_criterion_sigma_I 0 +_reflns.d_resolution_high 2.10 +_reflns.d_resolution_low 30.0 +_reflns.number_all 55201 +_reflns.number_obs 55201 +_reflns.percent_possible_obs 94.5 +_reflns.pdbx_Rmerge_I_obs ? +_reflns.pdbx_Rsym_value 0.082 +_reflns.pdbx_netI_over_sigmaI 6.7 +_reflns.B_iso_Wilson_estimate ? +_reflns.pdbx_redundancy 4.2 +_reflns.R_free_details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects ? +_reflns.pdbx_ordinal 1 +_reflns.pdbx_diffrn_id 1 +# +_reflns_shell.d_res_high 2.10 +_reflns_shell.d_res_low 2.20 +_reflns_shell.percent_possible_all 75.4 +_reflns_shell.Rmerge_I_obs ? +_reflns_shell.pdbx_Rsym_value 0.263 +_reflns_shell.meanI_over_sigI_obs 1.6 +_reflns_shell.pdbx_redundancy 1.9 +_reflns_shell.percent_possible_obs ? +_reflns_shell.number_unique_all 5640 +_reflns_shell.number_measured_all ? +_reflns_shell.number_measured_obs ? +_reflns_shell.number_unique_obs ? +_reflns_shell.pdbx_chi_squared ? +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +# +_refine.entry_id 1ONX +_refine.ls_d_res_high 2.10 +_refine.ls_d_res_low 30.0 +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_ls_sigma_I ? +_refine.ls_number_reflns_all 55201 +_refine.ls_number_reflns_obs 55201 +_refine.ls_number_reflns_R_free 5583 +_refine.ls_percent_reflns_obs 94.5 +_refine.ls_R_factor_all 0.182 +_refine.ls_R_factor_obs 0.182 +_refine.ls_R_factor_R_work 0.177 +_refine.ls_R_factor_R_free 0.246 +_refine.ls_redundancy_reflns_obs ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.ls_number_parameters ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_R_free ? +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model 1ONW +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_R_Free_selection_details random +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_stereochemistry_target_values 'Engh & Huber' +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.pdbx_isotropic_thermal_model ? +_refine.B_iso_mean ? +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.details ? +_refine.B_iso_min ? +_refine.B_iso_max ? +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.pdbx_solvent_vdw_probe_radii ? +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii ? +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_SU_B ? +_refine.overall_SU_ML ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_overall_phase_error ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 5766 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 22 +_refine_hist.number_atoms_solvent 257 +_refine_hist.number_atoms_total 6045 +_refine_hist.d_res_high 2.10 +_refine_hist.d_res_low 30.0 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +t_bond_d 0.013 ? ? ? 'X-RAY DIFFRACTION' ? +t_angle_deg 2.30 ? ? ? 'X-RAY DIFFRACTION' ? +# +_struct.entry_id 1ONX +_struct.title 'Crystal structure of isoaspartyl dipeptidase from escherichia coli complexed with aspartate' +_struct.pdbx_descriptor 'Isoaspartyl dipeptidase, ASPARTIC ACID' +_struct.pdbx_model_details ? +_struct.pdbx_CASP_flag ? +_struct.pdbx_model_type_details ? +# +_struct_keywords.entry_id 1ONX +_struct_keywords.pdbx_keywords HYDROLASE +_struct_keywords.text 'amidohydrolase, hydrolase, metalloprotease' +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 1 ? +C N N 2 ? +D N N 2 ? +E N N 3 ? +F N N 2 ? +G N N 2 ? +H N N 3 ? +I N N 4 ? +J N N 4 ? +# +_struct_biol.id 1 +_struct_biol.details +;The biological unit is an octamer. +It is generated by expanding the crystallographic +independent unit around the crystallographic +4-fold axis using the following three transformations: +(I)TRANSLATION VECTOR IN fractions of cell edge 0.500 0.500 0.000 +ROTATION MATRIX + 0.000 1.000 0.000 + -1.000 0.000 0.000 + 0.000 0.000 1.000 + +(II)TRANSLATION VECTOR IN fractions of cell edge 1.000 0.000 0.000 +ROTATION MATRIX + -1.000 0.000 0.000 + 0.000 -1.000 0.000 + 0.000 0.000 1.000 + +(III)TRANSLATION VECTOR IN fractions of cell edge 0.500 -0.500 0.000 +ROTATION MATRIX + 0.000 -1.000 0.000 + 1.000 0.000 0.000 + 0.000 0.000 1.000 +; +_struct_biol.pdbx_parent_biol_id ? +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.pdbx_PDB_helix_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.end_label_comp_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_seq_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_seq_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +HELX_P HELX_P1 1 TYR A 4 ? GLY A 8 ? TYR A 4 GLY A 8 5 ? 5 +HELX_P HELX_P2 2 GLY A 79 ? ARG A 83 ? GLY A 79 ARG A 83 5 ? 5 +HELX_P HELX_P3 3 ALA A 88 ? ALA A 95 ? ALA A 88 ALA A 95 1 ? 8 +HELX_P HELX_P4 4 HIS A 112 ? GLY A 127 ? HIS A 112 GLY A 127 1 ? 16 +HELX_P HELX_P5 5 SER A 147 ? ILE A 155 ? SER A 147 ILE A 155 1 ? 9 +HELX_P HELX_P6 6 ASP A 174 ? GLY A 193 ? ASP A 174 GLY A 193 1 ? 20 +HELX_P HELX_P7 7 LEU A 209 ? ASN A 218 ? LEU A 209 ASN A 218 1 ? 10 +HELX_P HELX_P8 8 PRO A 222 ? SER A 224 ? PRO A 222 SER A 224 5 ? 3 +HELX_P HELX_P9 9 HIS A 230 ? ARG A 233 ? HIS A 230 ARG A 233 5 ? 4 +HELX_P HELX_P10 10 ASN A 234 ? LYS A 247 ? ASN A 234 LYS A 247 1 ? 14 +HELX_P HELX_P11 11 ALA A 262 ? ALA A 273 ? ALA A 262 ALA A 273 1 ? 12 +HELX_P HELX_P12 12 PRO A 276 ? ALA A 278 ? PRO A 276 ALA A 278 5 ? 3 +HELX_P HELX_P13 13 GLU A 308 ? ASP A 322 ? GLU A 308 ASP A 322 1 ? 15 +HELX_P HELX_P14 14 SER A 324 ? ARG A 330 ? SER A 324 ARG A 330 1 ? 7 +HELX_P HELX_P15 15 THR A 333 ? LEU A 340 ? THR A 333 LEU A 340 1 ? 8 +HELX_P HELX_P16 16 TYR B 4 ? GLY B 8 ? TYR B 4 GLY B 8 5 ? 5 +HELX_P HELX_P17 17 GLY B 79 ? ARG B 83 ? GLY B 79 ARG B 83 5 ? 5 +HELX_P HELX_P18 18 ALA B 88 ? GLU B 94 ? ALA B 88 GLU B 94 1 ? 7 +HELX_P HELX_P19 19 HIS B 112 ? GLU B 126 ? HIS B 112 GLU B 126 1 ? 15 +HELX_P HELX_P20 20 SER B 147 ? ILE B 155 ? SER B 147 ILE B 155 1 ? 9 +HELX_P HELX_P21 21 ASP B 174 ? GLY B 193 ? ASP B 174 GLY B 193 1 ? 20 +HELX_P HELX_P22 22 LEU B 209 ? ASN B 218 ? LEU B 209 ASN B 218 1 ? 10 +HELX_P HELX_P23 23 PRO B 222 ? SER B 224 ? PRO B 222 SER B 224 5 ? 3 +HELX_P HELX_P24 24 HIS B 230 ? ARG B 233 ? HIS B 230 ARG B 233 5 ? 4 +HELX_P HELX_P25 25 ASN B 234 ? LYS B 247 ? ASN B 234 LYS B 247 1 ? 14 +HELX_P HELX_P26 26 ALA B 262 ? ALA B 273 ? ALA B 262 ALA B 273 1 ? 12 +HELX_P HELX_P27 27 PRO B 276 ? ALA B 278 ? PRO B 276 ALA B 278 5 ? 3 +HELX_P HELX_P28 28 GLU B 308 ? ASP B 322 ? GLU B 308 ASP B 322 1 ? 15 +HELX_P HELX_P29 29 SER B 324 ? ARG B 330 ? SER B 324 ARG B 330 1 ? 7 +HELX_P HELX_P30 30 THR B 333 ? LEU B 340 ? THR B 333 LEU B 340 1 ? 8 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria ? +_struct_conf_type.reference ? +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +covale1 covale ? ? A VAL 161 C ? ? ? 1_555 A KCX 162 N ? ? A VAL 161 A KCX 162 1_555 ? ? ? ? ? ? ? 1.330 ? +covale2 covale ? ? A KCX 162 C ? ? ? 1_555 A CYS 163 N ? ? A KCX 162 A CYS 163 1_555 ? ? ? ? ? ? ? 1.343 ? +covale3 covale ? ? B VAL 161 C ? ? ? 1_555 B KCX 162 N ? ? B VAL 161 B KCX 162 1_555 ? ? ? ? ? ? ? 1.342 ? +covale4 covale ? ? B KCX 162 C ? ? ? 1_555 B CYS 163 N ? ? B KCX 162 B CYS 163 1_555 ? ? ? ? ? ? ? 1.339 ? +metalc1 metalc ? ? A HIS 70 NE2 ? ? ? 1_555 C ZN . ZN ? ? A HIS 70 A ZN 401 1_555 ? ? ? ? ? ? ? 2.286 ? +metalc2 metalc ? ? A KCX 162 OQ1 ? ? ? 1_555 C ZN . ZN ? ? A KCX 162 A ZN 401 1_555 ? ? ? ? ? ? ? 2.186 ? +metalc3 metalc ? ? A HIS 201 ND1 ? ? ? 1_555 D ZN . ZN ? ? A HIS 201 A ZN 402 1_555 ? ? ? ? ? ? ? 1.917 ? +metalc4 metalc ? ? A HIS 230 NE2 ? ? ? 1_555 D ZN . ZN ? ? A HIS 230 A ZN 402 1_555 ? ? ? ? ? ? ? 2.238 ? +metalc5 metalc ? ? A ASP 285 OD1 ? ? ? 1_555 C ZN . ZN ? ? A ASP 285 A ZN 401 1_555 ? ? ? ? ? ? ? 2.121 ? +metalc6 metalc ? ? B HIS 70 NE2 ? ? ? 1_555 F ZN . ZN ? ? B HIS 70 B ZN 501 1_555 ? ? ? ? ? ? ? 2.279 ? +metalc7 metalc ? ? B KCX 162 OQ1 ? ? ? 1_555 F ZN . ZN ? ? B KCX 162 B ZN 501 1_555 ? ? ? ? ? ? ? 2.206 ? +metalc8 metalc ? ? B KCX 162 OQ2 ? ? ? 1_555 G ZN . ZN ? ? B KCX 162 B ZN 502 1_555 ? ? ? ? ? ? ? 2.182 ? +metalc9 metalc ? ? B HIS 201 ND1 ? ? ? 1_555 G ZN . ZN ? ? B HIS 201 B ZN 502 1_555 ? ? ? ? ? ? ? 1.911 ? +metalc10 metalc ? ? B HIS 230 NE2 ? ? ? 1_555 G ZN . ZN ? ? B HIS 230 B ZN 502 1_555 ? ? ? ? ? ? ? 2.115 ? +metalc11 metalc ? ? B ASP 285 OD1 ? ? ? 1_555 F ZN . ZN ? ? B ASP 285 B ZN 501 1_555 ? ? ? ? ? ? ? 2.181 ? +metalc12 metalc ? ? D ZN . ZN ? ? ? 1_555 E ASP . OD2 ? ? A ZN 402 A ASP 450 1_555 ? ? ? ? ? ? ? 2.246 ? +metalc13 metalc ? ? G ZN . ZN ? ? ? 1_555 H ASP . OD1 ? ? B ZN 502 B ASP 550 1_555 ? ? ? ? ? ? ? 1.967 ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +metalc ? ? +# +loop_ +_struct_mon_prot_cis.pdbx_id +_struct_mon_prot_cis.label_comp_id +_struct_mon_prot_cis.label_seq_id +_struct_mon_prot_cis.label_asym_id +_struct_mon_prot_cis.label_alt_id +_struct_mon_prot_cis.pdbx_PDB_ins_code +_struct_mon_prot_cis.auth_comp_id +_struct_mon_prot_cis.auth_seq_id +_struct_mon_prot_cis.auth_asym_id +_struct_mon_prot_cis.pdbx_label_comp_id_2 +_struct_mon_prot_cis.pdbx_label_seq_id_2 +_struct_mon_prot_cis.pdbx_label_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 +_struct_mon_prot_cis.pdbx_auth_comp_id_2 +_struct_mon_prot_cis.pdbx_auth_seq_id_2 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 +_struct_mon_prot_cis.pdbx_PDB_model_num +_struct_mon_prot_cis.pdbx_omega_angle +1 ALA 19 A . ? ALA 19 A PRO 20 A ? PRO 20 A 1 1.47 +2 VAL 139 A . ? VAL 139 A PRO 140 A ? PRO 140 A 1 0.27 +3 GLU 259 A . ? GLU 259 A PRO 260 A ? PRO 260 A 1 -3.46 +4 ALA 19 B . ? ALA 19 B PRO 20 B ? PRO 20 B 1 3.81 +5 VAL 139 B . ? VAL 139 B PRO 140 B ? PRO 140 B 1 1.61 +6 GLU 259 B . ? GLU 259 B PRO 260 B ? PRO 260 B 1 -0.90 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A ? 4 ? +B ? 8 ? +C ? 6 ? +D ? 2 ? +E ? 2 ? +F ? 4 ? +G ? 8 ? +H ? 6 ? +I ? 2 ? +J ? 2 ? +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 ? anti-parallel +A 2 3 ? anti-parallel +A 3 4 ? parallel +B 1 2 ? anti-parallel +B 2 3 ? anti-parallel +B 3 4 ? parallel +B 4 5 ? anti-parallel +B 5 6 ? anti-parallel +B 6 7 ? anti-parallel +B 7 8 ? anti-parallel +C 1 2 ? parallel +C 2 3 ? parallel +C 3 4 ? parallel +C 4 5 ? parallel +C 5 6 ? parallel +D 1 2 ? parallel +E 1 2 ? anti-parallel +F 1 2 ? anti-parallel +F 2 3 ? anti-parallel +F 3 4 ? parallel +G 1 2 ? anti-parallel +G 2 3 ? anti-parallel +G 3 4 ? parallel +G 4 5 ? anti-parallel +G 5 6 ? anti-parallel +G 6 7 ? anti-parallel +G 7 8 ? anti-parallel +H 1 2 ? parallel +H 2 3 ? parallel +H 3 4 ? parallel +H 4 5 ? parallel +H 5 6 ? parallel +I 1 2 ? parallel +J 1 2 ? anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.end_auth_seq_id +A 1 LYS A 34 ? ALA A 39 ? LYS A 34 ALA A 39 +A 2 ASP A 22 ? ALA A 31 ? ASP A 22 ALA A 31 +A 3 THR A 10 ? TYR A 18 ? THR A 10 TYR A 18 +A 4 THR A 51 ? ASP A 54 ? THR A 51 ASP A 54 +B 1 LYS A 34 ? ALA A 39 ? LYS A 34 ALA A 39 +B 2 ASP A 22 ? ALA A 31 ? ASP A 22 ALA A 31 +B 3 THR A 10 ? TYR A 18 ? THR A 10 TYR A 18 +B 4 ILE A 59 ? PRO A 62 ? ILE A 59 PRO A 62 +B 5 LEU A 356 ? MET A 359 ? LEU A 356 MET A 359 +B 6 ILE A 365 ? ALA A 370 ? ILE A 365 ALA A 370 +B 7 LYS A 373 ? LYS A 377 ? LYS A 373 LYS A 377 +B 8 LYS A 380 ? ALA A 381 ? LYS A 380 ALA A 381 +C 1 PHE A 64 ? VAL A 69 ? PHE A 64 VAL A 69 +C 2 VAL A 97 ? GLY A 102 ? VAL A 97 GLY A 102 +C 3 SER A 129 ? GLY A 135 ? SER A 129 GLY A 135 +C 4 VAL A 158 ? ILE A 165 ? VAL A 158 ILE A 165 +C 5 VAL A 197 ? MET A 202 ? VAL A 197 MET A 202 +C 6 LEU A 226 ? THR A 229 ? LEU A 226 THR A 229 +D 1 ILE A 251 ? THR A 254 ? ILE A 251 THR A 254 +D 2 VAL A 280 ? SER A 283 ? VAL A 280 SER A 283 +E 1 SER A 289 ? PHE A 293 ? SER A 289 PHE A 293 +E 2 LEU A 299 ? VAL A 304 ? LEU A 299 VAL A 304 +F 1 LYS B 34 ? ALA B 39 ? LYS B 34 ALA B 39 +F 2 ASP B 22 ? ALA B 31 ? ASP B 22 ALA B 31 +F 3 THR B 10 ? TYR B 18 ? THR B 10 TYR B 18 +F 4 THR B 51 ? ASP B 54 ? THR B 51 ASP B 54 +G 1 LYS B 34 ? ALA B 39 ? LYS B 34 ALA B 39 +G 2 ASP B 22 ? ALA B 31 ? ASP B 22 ALA B 31 +G 3 THR B 10 ? TYR B 18 ? THR B 10 TYR B 18 +G 4 ILE B 59 ? PRO B 62 ? ILE B 59 PRO B 62 +G 5 LEU B 356 ? MET B 359 ? LEU B 356 MET B 359 +G 6 ILE B 365 ? ALA B 370 ? ILE B 365 ALA B 370 +G 7 LYS B 373 ? LYS B 377 ? LYS B 373 LYS B 377 +G 8 LYS B 380 ? ALA B 381 ? LYS B 380 ALA B 381 +H 1 PHE B 64 ? VAL B 69 ? PHE B 64 VAL B 69 +H 2 VAL B 97 ? GLY B 102 ? VAL B 97 GLY B 102 +H 3 SER B 129 ? GLY B 135 ? SER B 129 GLY B 135 +H 4 VAL B 158 ? ILE B 165 ? VAL B 158 ILE B 165 +H 5 VAL B 197 ? MET B 202 ? VAL B 197 MET B 202 +H 6 LEU B 226 ? THR B 229 ? LEU B 226 THR B 229 +I 1 ILE B 251 ? THR B 254 ? ILE B 251 THR B 254 +I 2 VAL B 280 ? SER B 283 ? VAL B 280 SER B 283 +J 1 SER B 289 ? PHE B 293 ? SER B 289 PHE B 293 +J 2 LEU B 299 ? VAL B 304 ? LEU B 299 VAL B 304 +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O LYS A 34 ? O LYS A 34 N ALA A 31 ? N ALA A 31 +A 2 3 O ARG A 23 ? O ARG A 23 N LEU A 17 ? N LEU A 17 +A 3 4 N GLN A 13 ? N GLN A 13 O VAL A 53 ? O VAL A 53 +B 1 2 O LYS A 34 ? O LYS A 34 N ALA A 31 ? N ALA A 31 +B 2 3 O ARG A 23 ? O ARG A 23 N LEU A 17 ? N LEU A 17 +B 3 4 N HIS A 16 ? N HIS A 16 O LEU A 60 ? O LEU A 60 +B 4 5 N CYS A 61 ? N CYS A 61 O LEU A 357 ? O LEU A 357 +B 5 6 N VAL A 358 ? N VAL A 358 O GLU A 366 ? O GLU A 366 +B 6 7 N VAL A 368 ? N VAL A 368 O MET A 375 ? O MET A 375 +B 7 8 N LYS A 377 ? N LYS A 377 O LYS A 380 ? O LYS A 380 +C 1 2 N PHE A 64 ? N PHE A 64 O THR A 98 ? O THR A 98 +C 2 3 N GLY A 102 ? N GLY A 102 O TRP A 131 ? O TRP A 131 +C 3 4 N THR A 134 ? N THR A 134 O GLY A 160 ? O GLY A 160 +C 4 5 N VAL A 161 ? N VAL A 161 O VAL A 197 ? O VAL A 197 +C 5 6 N PHE A 200 ? N PHE A 200 O LEU A 227 ? O LEU A 227 +D 1 2 N ILE A 253 ? N ILE A 253 O THR A 281 ? O THR A 281 +E 1 2 N PHE A 292 ? N PHE A 292 O HIS A 301 ? O HIS A 301 +F 1 2 O ALA B 37 ? O ALA B 37 N LEU B 29 ? N LEU B 29 +F 2 3 O VAL B 30 ? O VAL B 30 N THR B 10 ? N THR B 10 +F 3 4 N LEU B 11 ? N LEU B 11 O VAL B 53 ? O VAL B 53 +G 1 2 O ALA B 37 ? O ALA B 37 N LEU B 29 ? N LEU B 29 +G 2 3 O VAL B 30 ? O VAL B 30 N THR B 10 ? N THR B 10 +G 3 4 N HIS B 16 ? N HIS B 16 O LEU B 60 ? O LEU B 60 +G 4 5 N CYS B 61 ? N CYS B 61 O LEU B 357 ? O LEU B 357 +G 5 6 N VAL B 358 ? N VAL B 358 O GLU B 366 ? O GLU B 366 +G 6 7 N VAL B 368 ? N VAL B 368 O MET B 375 ? O MET B 375 +G 7 8 N LYS B 377 ? N LYS B 377 O LYS B 380 ? O LYS B 380 +H 1 2 N ASP B 66 ? N ASP B 66 O VAL B 101 ? O VAL B 101 +H 2 3 N GLY B 102 ? N GLY B 102 O TRP B 131 ? O TRP B 131 +H 3 4 N THR B 134 ? N THR B 134 O GLY B 160 ? O GLY B 160 +H 4 5 N VAL B 161 ? N VAL B 161 O VAL B 199 ? O VAL B 199 +H 5 6 N PHE B 200 ? N PHE B 200 O LEU B 227 ? O LEU B 227 +I 1 2 N ILE B 253 ? N ILE B 253 O THR B 281 ? O THR B 281 +J 1 2 N GLN B 290 ? N GLN B 290 O GLY B 303 ? O GLY B 303 +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE ZN A 401' +AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE ZN A 402' +AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE ZN B 501' +AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE ZN B 502' +AC5 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE ASP A 450' +AC6 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE ASP B 550' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 5 HIS A 68 ? HIS A 68 . ? 1_555 ? +2 AC1 5 HIS A 70 ? HIS A 70 . ? 1_555 ? +3 AC1 5 KCX A 162 ? KCX A 162 . ? 1_555 ? +4 AC1 5 ASP A 285 ? ASP A 285 . ? 1_555 ? +5 AC1 5 ASP E . ? ASP A 450 . ? 1_555 ? +6 AC2 5 TYR A 137 ? TYR A 137 . ? 1_555 ? +7 AC2 5 KCX A 162 ? KCX A 162 . ? 1_555 ? +8 AC2 5 HIS A 201 ? HIS A 201 . ? 1_555 ? +9 AC2 5 HIS A 230 ? HIS A 230 . ? 1_555 ? +10 AC2 5 ASP E . ? ASP A 450 . ? 1_555 ? +11 AC3 6 HIS B 68 ? HIS B 68 . ? 1_555 ? +12 AC3 6 HIS B 70 ? HIS B 70 . ? 1_555 ? +13 AC3 6 KCX B 162 ? KCX B 162 . ? 1_555 ? +14 AC3 6 ASP B 285 ? ASP B 285 . ? 1_555 ? +15 AC3 6 ZN G . ? ZN B 502 . ? 1_555 ? +16 AC3 6 ASP H . ? ASP B 550 . ? 1_555 ? +17 AC4 6 TYR B 137 ? TYR B 137 . ? 1_555 ? +18 AC4 6 KCX B 162 ? KCX B 162 . ? 1_555 ? +19 AC4 6 HIS B 201 ? HIS B 201 . ? 1_555 ? +20 AC4 6 HIS B 230 ? HIS B 230 . ? 1_555 ? +21 AC4 6 ZN F . ? ZN B 501 . ? 1_555 ? +22 AC4 6 ASP H . ? ASP B 550 . ? 1_555 ? +23 AC5 14 GLY A 74 ? GLY A 74 . ? 1_555 ? +24 AC5 14 GLY A 75 ? GLY A 75 . ? 1_555 ? +25 AC5 14 GLU A 77 ? GLU A 77 . ? 1_555 ? +26 AC5 14 GLY A 105 ? GLY A 105 . ? 1_555 ? +27 AC5 14 THR A 106 ? THR A 106 . ? 1_555 ? +28 AC5 14 TYR A 137 ? TYR A 137 . ? 1_555 ? +29 AC5 14 KCX A 162 ? KCX A 162 . ? 1_555 ? +30 AC5 14 HIS A 201 ? HIS A 201 . ? 1_555 ? +31 AC5 14 ASP A 285 ? ASP A 285 . ? 1_555 ? +32 AC5 14 GLY A 288 ? GLY A 288 . ? 1_555 ? +33 AC5 14 SER A 289 ? SER A 289 . ? 1_555 ? +34 AC5 14 ZN C . ? ZN A 401 . ? 1_555 ? +35 AC5 14 ZN D . ? ZN A 402 . ? 1_555 ? +36 AC5 14 HOH I . ? HOH A 477 . ? 1_555 ? +37 AC6 14 GLY B 74 ? GLY B 74 . ? 1_555 ? +38 AC6 14 GLY B 75 ? GLY B 75 . ? 1_555 ? +39 AC6 14 GLU B 77 ? GLU B 77 . ? 1_555 ? +40 AC6 14 GLY B 105 ? GLY B 105 . ? 1_555 ? +41 AC6 14 THR B 106 ? THR B 106 . ? 1_555 ? +42 AC6 14 TYR B 137 ? TYR B 137 . ? 1_555 ? +43 AC6 14 KCX B 162 ? KCX B 162 . ? 1_555 ? +44 AC6 14 HIS B 201 ? HIS B 201 . ? 1_555 ? +45 AC6 14 ASP B 285 ? ASP B 285 . ? 1_555 ? +46 AC6 14 GLY B 288 ? GLY B 288 . ? 1_555 ? +47 AC6 14 SER B 289 ? SER B 289 . ? 1_555 ? +48 AC6 14 HOH J . ? HOH B 474 . ? 1_555 ? +49 AC6 14 ZN F . ? ZN B 501 . ? 1_555 ? +50 AC6 14 ZN G . ? ZN B 502 . ? 1_555 ? +# +_database_PDB_matrix.entry_id 1ONX +_database_PDB_matrix.origx[1][1] 1.000000 +_database_PDB_matrix.origx[1][2] 0.000000 +_database_PDB_matrix.origx[1][3] 0.000000 +_database_PDB_matrix.origx[2][1] 0.000000 +_database_PDB_matrix.origx[2][2] 1.000000 +_database_PDB_matrix.origx[2][3] 0.000000 +_database_PDB_matrix.origx[3][1] 0.000000 +_database_PDB_matrix.origx[3][2] 0.000000 +_database_PDB_matrix.origx[3][3] 1.000000 +_database_PDB_matrix.origx_vector[1] 0.00000 +_database_PDB_matrix.origx_vector[2] 0.00000 +_database_PDB_matrix.origx_vector[3] 0.00000 +# +_atom_sites.entry_id 1ONX +_atom_sites.fract_transf_matrix[1][1] 0.008396 +_atom_sites.fract_transf_matrix[1][2] 0.000000 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.008396 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.007241 +_atom_sites.fract_transf_vector[1] 0.00000 +_atom_sites.fract_transf_vector[2] 0.00000 +_atom_sites.fract_transf_vector[3] 0.00000 +# +loop_ +_atom_type.symbol +C +N +O +S +ZN +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 N N . MET A 1 1 ? 4.089 34.519 51.812 1.00 64.17 ? 1 MET A N 1 +ATOM 2 C CA . MET A 1 1 ? 5.001 34.512 50.682 1.00 77.02 ? 1 MET A CA 1 +ATOM 3 C C . MET A 1 1 ? 5.772 33.197 50.603 1.00 78.54 ? 1 MET A C 1 +ATOM 4 O O . MET A 1 1 ? 6.437 32.764 51.547 1.00 75.34 ? 1 MET A O 1 +ATOM 5 C CB . MET A 1 1 ? 6.001 35.697 50.685 1.00 88.53 ? 1 MET A CB 1 +ATOM 6 C CG . MET A 1 1 ? 5.546 36.948 49.931 1.00 100.00 ? 1 MET A CG 1 +ATOM 7 S SD . MET A 1 1 ? 6.656 38.406 50.110 1.00 100.00 ? 1 MET A SD 1 +ATOM 8 C CE . MET A 1 1 ? 5.669 39.771 49.440 1.00 100.00 ? 1 MET A CE 1 +ATOM 9 N N . ILE A 1 2 ? 5.660 32.566 49.446 1.00 56.97 ? 2 ILE A N 1 +ATOM 10 C CA . ILE A 1 2 ? 6.376 31.338 49.240 1.00 44.92 ? 2 ILE A CA 1 +ATOM 11 C C . ILE A 1 2 ? 7.654 31.681 48.506 1.00 49.36 ? 2 ILE A C 1 +ATOM 12 O O . ILE A 1 2 ? 7.649 32.479 47.562 1.00 50.51 ? 2 ILE A O 1 +ATOM 13 C CB . ILE A 1 2 ? 5.550 30.296 48.503 1.00 42.22 ? 2 ILE A CB 1 +ATOM 14 C CG1 . ILE A 1 2 ? 4.525 29.714 49.445 1.00 46.05 ? 2 ILE A CG1 1 +ATOM 15 C CG2 . ILE A 1 2 ? 6.449 29.167 48.032 1.00 47.50 ? 2 ILE A CG2 1 +ATOM 16 C CD1 . ILE A 1 2 ? 3.650 28.640 48.784 1.00 47.35 ? 2 ILE A CD1 1 +ATOM 17 N N . ASP A 1 3 ? 8.762 31.117 48.970 1.00 40.09 ? 3 ASP A N 1 +ATOM 18 C CA . ASP A 1 3 ? 10.032 31.373 48.321 1.00 37.60 ? 3 ASP A CA 1 +ATOM 19 C C . ASP A 1 3 ? 10.238 30.392 47.163 1.00 40.81 ? 3 ASP A C 1 +ATOM 20 O O . ASP A 1 3 ? 10.111 29.186 47.356 1.00 27.03 ? 3 ASP A O 1 +ATOM 21 C CB . ASP A 1 3 ? 11.183 31.309 49.341 1.00 32.87 ? 3 ASP A CB 1 +ATOM 22 C CG . ASP A 1 3 ? 12.502 31.548 48.681 1.00 65.30 ? 3 ASP A CG 1 +ATOM 23 O OD1 . ASP A 1 3 ? 12.596 32.118 47.620 1.00 85.32 ? 3 ASP A OD1 1 +ATOM 24 O OD2 . ASP A 1 3 ? 13.509 31.018 49.338 1.00 100.00 ? 3 ASP A OD2 1 +ATOM 25 N N . TYR A 1 4 ? 10.526 30.891 45.955 1.00 30.46 ? 4 TYR A N 1 +ATOM 26 C CA . TYR A 1 4 ? 10.750 30.005 44.829 1.00 27.05 ? 4 TYR A CA 1 +ATOM 27 C C . TYR A 1 4 ? 12.082 30.353 44.213 1.00 29.93 ? 4 TYR A C 1 +ATOM 28 O O . TYR A 1 4 ? 12.384 30.010 43.079 1.00 37.50 ? 4 TYR A O 1 +ATOM 29 C CB . TYR A 1 4 ? 9.645 30.117 43.763 1.00 27.03 ? 4 TYR A CB 1 +ATOM 30 C CG . TYR A 1 4 ? 8.229 29.831 44.236 1.00 39.85 ? 4 TYR A CG 1 +ATOM 31 C CD1 . TYR A 1 4 ? 7.356 30.816 44.709 1.00 43.61 ? 4 TYR A CD1 1 +ATOM 32 C CD2 . TYR A 1 4 ? 7.735 28.529 44.159 1.00 34.43 ? 4 TYR A CD2 1 +ATOM 33 C CE1 . TYR A 1 4 ? 6.061 30.516 45.138 1.00 42.26 ? 4 TYR A CE1 1 +ATOM 34 C CE2 . TYR A 1 4 ? 6.433 28.214 44.549 1.00 34.34 ? 4 TYR A CE2 1 +ATOM 35 C CZ . TYR A 1 4 ? 5.590 29.207 45.051 1.00 57.60 ? 4 TYR A CZ 1 +ATOM 36 O OH . TYR A 1 4 ? 4.316 28.894 45.459 1.00 42.54 ? 4 TYR A OH 1 +ATOM 37 N N . THR A 1 5 ? 12.858 31.085 44.990 1.00 28.78 ? 5 THR A N 1 +ATOM 38 C CA . THR A 1 5 ? 14.148 31.576 44.547 1.00 26.20 ? 5 THR A CA 1 +ATOM 39 C C . THR A 1 5 ? 15.127 30.512 44.197 1.00 31.20 ? 5 THR A C 1 +ATOM 40 O O . THR A 1 5 ? 15.997 30.725 43.357 1.00 29.54 ? 5 THR A O 1 +ATOM 41 C CB . THR A 1 5 ? 14.794 32.607 45.485 1.00 45.97 ? 5 THR A CB 1 +ATOM 42 O OG1 . THR A 1 5 ? 14.751 32.147 46.817 1.00 88.34 ? 5 THR A OG1 1 +ATOM 43 C CG2 . THR A 1 5 ? 14.056 33.933 45.334 1.00 54.89 ? 5 THR A CG2 1 +ATOM 44 N N . ALA A 1 6 ? 15.017 29.370 44.847 1.00 37.87 ? 6 ALA A N 1 +ATOM 45 C CA . ALA A 1 6 ? 15.957 28.324 44.487 1.00 35.64 ? 6 ALA A CA 1 +ATOM 46 C C . ALA A 1 6 ? 16.033 28.094 42.955 1.00 37.51 ? 6 ALA A C 1 +ATOM 47 O O . ALA A 1 6 ? 17.098 27.817 42.397 1.00 32.61 ? 6 ALA A O 1 +ATOM 48 C CB . ALA A 1 6 ? 15.561 27.044 45.193 1.00 35.34 ? 6 ALA A CB 1 +ATOM 49 N N . ALA A 1 7 ? 14.884 28.194 42.269 1.00 25.94 ? 7 ALA A N 1 +ATOM 50 C CA . ALA A 1 7 ? 14.782 27.955 40.841 1.00 11.86 ? 7 ALA A CA 1 +ATOM 51 C C . ALA A 1 7 ? 15.655 28.845 39.973 1.00 21.29 ? 7 ALA A C 1 +ATOM 52 O O . ALA A 1 7 ? 16.075 28.469 38.867 1.00 26.34 ? 7 ALA A O 1 +ATOM 53 C CB . ALA A 1 7 ? 13.317 28.004 40.404 1.00 19.61 ? 7 ALA A CB 1 +ATOM 54 N N . GLY A 1 8 ? 15.963 30.038 40.455 1.00 26.04 ? 8 GLY A N 1 +ATOM 55 C CA . GLY A 1 8 ? 16.777 30.884 39.622 1.00 18.85 ? 8 GLY A CA 1 +ATOM 56 C C . GLY A 1 8 ? 15.988 31.236 38.356 1.00 35.76 ? 8 GLY A C 1 +ATOM 57 O O . GLY A 1 8 ? 16.496 31.213 37.238 1.00 35.75 ? 8 GLY A O 1 +ATOM 58 N N . PHE A 1 9 ? 14.710 31.567 38.520 1.00 37.92 ? 9 PHE A N 1 +ATOM 59 C CA . PHE A 1 9 ? 13.905 31.912 37.355 1.00 34.54 ? 9 PHE A CA 1 +ATOM 60 C C . PHE A 1 9 ? 14.319 33.236 36.723 1.00 35.30 ? 9 PHE A C 1 +ATOM 61 O O . PHE A 1 9 ? 14.276 34.307 37.337 1.00 31.90 ? 9 PHE A O 1 +ATOM 62 C CB . PHE A 1 9 ? 12.403 31.966 37.674 1.00 30.08 ? 9 PHE A CB 1 +ATOM 63 C CG . PHE A 1 9 ? 11.756 30.644 37.981 1.00 28.76 ? 9 PHE A CG 1 +ATOM 64 C CD1 . PHE A 1 9 ? 11.009 30.489 39.154 1.00 29.23 ? 9 PHE A CD1 1 +ATOM 65 C CD2 . PHE A 1 9 ? 11.854 29.567 37.097 1.00 19.91 ? 9 PHE A CD2 1 +ATOM 66 C CE1 . PHE A 1 9 ? 10.397 29.274 39.474 1.00 33.59 ? 9 PHE A CE1 1 +ATOM 67 C CE2 . PHE A 1 9 ? 11.241 28.346 37.403 1.00 31.97 ? 9 PHE A CE2 1 +ATOM 68 C CZ . PHE A 1 9 ? 10.512 28.200 38.587 1.00 30.52 ? 9 PHE A CZ 1 +ATOM 69 N N . THR A 1 10 ? 14.656 33.147 35.452 1.00 34.95 ? 10 THR A N 1 +ATOM 70 C CA . THR A 1 10 ? 15.048 34.289 34.670 1.00 27.70 ? 10 THR A CA 1 +ATOM 71 C C . THR A 1 10 ? 14.443 34.210 33.288 1.00 29.98 ? 10 THR A C 1 +ATOM 72 O O . THR A 1 10 ? 14.501 33.202 32.590 1.00 27.79 ? 10 THR A O 1 +ATOM 73 C CB . THR A 1 10 ? 16.593 34.427 34.526 1.00 27.15 ? 10 THR A CB 1 +ATOM 74 O OG1 . THR A 1 10 ? 17.244 34.255 35.756 1.00 23.02 ? 10 THR A OG1 1 +ATOM 75 C CG2 . THR A 1 10 ? 16.968 35.799 34.003 1.00 33.47 ? 10 THR A CG2 1 +ATOM 76 N N . LEU A 1 11 ? 13.880 35.329 32.899 1.00 36.26 ? 11 LEU A N 1 +ATOM 77 C CA . LEU A 1 11 ? 13.280 35.433 31.604 1.00 31.81 ? 11 LEU A CA 1 +ATOM 78 C C . LEU A 1 11 ? 13.869 36.581 30.806 1.00 27.95 ? 11 LEU A C 1 +ATOM 79 O O . LEU A 1 11 ? 13.813 37.756 31.170 1.00 46.18 ? 11 LEU A O 1 +ATOM 80 C CB . LEU A 1 11 ? 11.758 35.502 31.646 1.00 36.20 ? 11 LEU A CB 1 +ATOM 81 C CG . LEU A 1 11 ? 11.255 36.077 30.332 1.00 41.68 ? 11 LEU A CG 1 +ATOM 82 C CD1 . LEU A 1 11 ? 11.146 34.979 29.274 1.00 44.12 ? 11 LEU A CD1 1 +ATOM 83 C CD2 . LEU A 1 11 ? 9.922 36.746 30.575 1.00 49.85 ? 11 LEU A CD2 1 +ATOM 84 N N . LEU A 1 12 ? 14.444 36.178 29.707 1.00 25.39 ? 12 LEU A N 1 +ATOM 85 C CA . LEU A 1 12 ? 15.091 37.051 28.796 1.00 39.06 ? 12 LEU A CA 1 +ATOM 86 C C . LEU A 1 12 ? 14.074 37.409 27.748 1.00 39.32 ? 12 LEU A C 1 +ATOM 87 O O . LEU A 1 12 ? 13.671 36.568 26.945 1.00 32.88 ? 12 LEU A O 1 +ATOM 88 C CB . LEU A 1 12 ? 16.324 36.323 28.213 1.00 46.65 ? 12 LEU A CB 1 +ATOM 89 C CG . LEU A 1 12 ? 17.314 35.979 29.320 1.00 41.27 ? 12 LEU A CG 1 +ATOM 90 C CD1 . LEU A 1 12 ? 18.407 35.060 28.814 1.00 34.62 ? 12 LEU A CD1 1 +ATOM 91 C CD2 . LEU A 1 12 ? 17.900 37.243 29.916 1.00 35.64 ? 12 LEU A CD2 1 +ATOM 92 N N . GLN A 1 13 ? 13.694 38.687 27.803 1.00 40.28 ? 13 GLN A N 1 +ATOM 93 C CA . GLN A 1 13 ? 12.678 39.258 26.971 1.00 33.01 ? 13 GLN A CA 1 +ATOM 94 C C . GLN A 1 13 ? 13.070 40.163 25.821 1.00 34.69 ? 13 GLN A C 1 +ATOM 95 O O . GLN A 1 13 ? 13.857 41.108 25.926 1.00 35.93 ? 13 GLN A O 1 +ATOM 96 C CB . GLN A 1 13 ? 11.728 40.002 27.885 1.00 38.42 ? 13 GLN A CB 1 +ATOM 97 C CG . GLN A 1 13 ? 10.297 39.916 27.364 1.00 96.72 ? 13 GLN A CG 1 +ATOM 98 C CD . GLN A 1 13 ? 9.262 40.321 28.390 1.00 87.48 ? 13 GLN A CD 1 +ATOM 99 O OE1 . GLN A 1 13 ? 9.182 41.490 28.806 1.00 94.70 ? 13 GLN A OE1 1 +ATOM 100 N NE2 . GLN A 1 13 ? 8.439 39.366 28.786 1.00 69.31 ? 13 GLN A NE2 1 +ATOM 101 N N . GLY A 1 14 ? 12.445 39.790 24.721 1.00 31.47 ? 14 GLY A N 1 +ATOM 102 C CA . GLY A 1 14 ? 12.396 40.400 23.409 1.00 35.44 ? 14 GLY A CA 1 +ATOM 103 C C . GLY A 1 14 ? 13.636 40.724 22.641 1.00 45.40 ? 14 GLY A C 1 +ATOM 104 O O . GLY A 1 14 ? 13.731 41.790 22.049 1.00 53.00 ? 14 GLY A O 1 +ATOM 105 N N . ALA A 1 15 ? 14.576 39.819 22.595 1.00 42.22 ? 15 ALA A N 1 +ATOM 106 C CA . ALA A 1 15 ? 15.750 40.128 21.829 1.00 29.28 ? 15 ALA A CA 1 +ATOM 107 C C . ALA A 1 15 ? 15.669 39.414 20.485 1.00 22.93 ? 15 ALA A C 1 +ATOM 108 O O . ALA A 1 15 ? 14.840 38.542 20.270 1.00 30.58 ? 15 ALA A O 1 +ATOM 109 C CB . ALA A 1 15 ? 16.976 39.703 22.614 1.00 27.88 ? 15 ALA A CB 1 +ATOM 110 N N . HIS A 1 16 ? 16.520 39.793 19.553 1.00 23.85 ? 16 HIS A N 1 +ATOM 111 C CA . HIS A 1 16 ? 16.517 39.092 18.307 1.00 17.67 ? 16 HIS A CA 1 +ATOM 112 C C . HIS A 1 16 ? 17.486 37.946 18.563 1.00 35.76 ? 16 HIS A C 1 +ATOM 113 O O . HIS A 1 16 ? 18.664 38.127 18.893 1.00 40.80 ? 16 HIS A O 1 +ATOM 114 C CB . HIS A 1 16 ? 16.946 40.011 17.171 1.00 20.43 ? 16 HIS A CB 1 +ATOM 115 C CG . HIS A 1 16 ? 16.753 39.378 15.837 1.00 30.61 ? 16 HIS A CG 1 +ATOM 116 N ND1 . HIS A 1 16 ? 16.560 40.178 14.749 1.00 43.73 ? 16 HIS A ND1 1 +ATOM 117 C CD2 . HIS A 1 16 ? 16.776 38.080 15.447 1.00 45.14 ? 16 HIS A CD2 1 +ATOM 118 C CE1 . HIS A 1 16 ? 16.515 39.367 13.706 1.00 49.05 ? 16 HIS A CE1 1 +ATOM 119 N NE2 . HIS A 1 16 ? 16.581 38.101 14.083 1.00 50.38 ? 16 HIS A NE2 1 +ATOM 120 N N . LEU A 1 17 ? 16.915 36.770 18.503 1.00 32.19 ? 17 LEU A N 1 +ATOM 121 C CA . LEU A 1 17 ? 17.598 35.534 18.812 1.00 36.30 ? 17 LEU A CA 1 +ATOM 122 C C . LEU A 1 17 ? 18.146 34.798 17.629 1.00 26.17 ? 17 LEU A C 1 +ATOM 123 O O . LEU A 1 17 ? 17.454 34.621 16.628 1.00 37.26 ? 17 LEU A O 1 +ATOM 124 C CB . LEU A 1 17 ? 16.640 34.624 19.600 1.00 34.57 ? 17 LEU A CB 1 +ATOM 125 C CG . LEU A 1 17 ? 17.150 33.215 19.855 1.00 28.89 ? 17 LEU A CG 1 +ATOM 126 C CD1 . LEU A 1 17 ? 18.404 33.320 20.702 1.00 30.94 ? 17 LEU A CD1 1 +ATOM 127 C CD2 . LEU A 1 17 ? 16.097 32.424 20.609 1.00 37.66 ? 17 LEU A CD2 1 +ATOM 128 N N . TYR A 1 18 ? 19.393 34.372 17.783 1.00 30.06 ? 18 TYR A N 1 +ATOM 129 C CA . TYR A 1 18 ? 20.154 33.567 16.837 1.00 24.54 ? 18 TYR A CA 1 +ATOM 130 C C . TYR A 1 18 ? 20.572 32.338 17.627 1.00 40.65 ? 18 TYR A C 1 +ATOM 131 O O . TYR A 1 18 ? 21.500 32.408 18.415 1.00 47.40 ? 18 TYR A O 1 +ATOM 132 C CB . TYR A 1 18 ? 21.374 34.318 16.311 1.00 29.84 ? 18 TYR A CB 1 +ATOM 133 C CG . TYR A 1 18 ? 20.996 35.555 15.531 1.00 33.43 ? 18 TYR A CG 1 +ATOM 134 C CD1 . TYR A 1 18 ? 20.865 36.790 16.171 1.00 35.50 ? 18 TYR A CD1 1 +ATOM 135 C CD2 . TYR A 1 18 ? 20.757 35.504 14.153 1.00 34.28 ? 18 TYR A CD2 1 +ATOM 136 C CE1 . TYR A 1 18 ? 20.537 37.945 15.465 1.00 33.02 ? 18 TYR A CE1 1 +ATOM 137 C CE2 . TYR A 1 18 ? 20.380 36.640 13.436 1.00 31.79 ? 18 TYR A CE2 1 +ATOM 138 C CZ . TYR A 1 18 ? 20.273 37.868 14.097 1.00 26.88 ? 18 TYR A CZ 1 +ATOM 139 O OH . TYR A 1 18 ? 19.918 39.019 13.432 1.00 35.65 ? 18 TYR A OH 1 +ATOM 140 N N . ALA A 1 19 ? 19.830 31.250 17.468 1.00 43.92 ? 19 ALA A N 1 +ATOM 141 C CA . ALA A 1 19 ? 20.031 30.033 18.209 1.00 29.64 ? 19 ALA A CA 1 +ATOM 142 C C . ALA A 1 19 ? 21.207 29.069 18.017 1.00 23.19 ? 19 ALA A C 1 +ATOM 143 O O . ALA A 1 19 ? 21.218 28.050 18.699 1.00 33.17 ? 19 ALA A O 1 +ATOM 144 C CB . ALA A 1 19 ? 18.728 29.311 18.409 1.00 26.70 ? 19 ALA A CB 1 +ATOM 145 N N . PRO A 1 20 ? 22.203 29.262 17.153 1.00 25.60 ? 20 PRO A N 1 +ATOM 146 C CA . PRO A 1 20 ? 22.448 30.355 16.254 1.00 32.65 ? 20 PRO A CA 1 +ATOM 147 C C . PRO A 1 20 ? 21.324 30.629 15.223 1.00 49.22 ? 20 PRO A C 1 +ATOM 148 O O . PRO A 1 20 ? 21.103 31.783 14.910 1.00 56.09 ? 20 PRO A O 1 +ATOM 149 C CB . PRO A 1 20 ? 23.774 29.970 15.551 1.00 33.05 ? 20 PRO A CB 1 +ATOM 150 C CG . PRO A 1 20 ? 24.059 28.482 15.812 1.00 22.65 ? 20 PRO A CG 1 +ATOM 151 C CD . PRO A 1 20 ? 22.997 28.032 16.801 1.00 20.39 ? 20 PRO A CD 1 +ATOM 152 N N . GLU A 1 21 ? 20.593 29.611 14.728 1.00 38.91 ? 21 GLU A N 1 +ATOM 153 C CA . GLU A 1 21 ? 19.501 29.811 13.768 1.00 33.38 ? 21 GLU A CA 1 +ATOM 154 C C . GLU A 1 21 ? 18.669 31.053 14.088 1.00 41.95 ? 21 GLU A C 1 +ATOM 155 O O . GLU A 1 21 ? 18.295 31.283 15.242 1.00 30.70 ? 21 GLU A O 1 +ATOM 156 C CB . GLU A 1 21 ? 18.569 28.595 13.706 1.00 33.78 ? 21 GLU A CB 1 +ATOM 157 C CG . GLU A 1 21 ? 19.311 27.269 13.564 1.00 42.37 ? 21 GLU A CG 1 +ATOM 158 C CD . GLU A 1 21 ? 20.035 26.873 14.820 1.00 100.00 ? 21 GLU A CD 1 +ATOM 159 O OE1 . GLU A 1 21 ? 19.734 27.305 15.936 1.00 53.01 ? 21 GLU A OE1 1 +ATOM 160 O OE2 . GLU A 1 21 ? 21.041 26.048 14.583 1.00 100.00 ? 21 GLU A OE2 1 +ATOM 161 N N . ASP A 1 22 ? 18.410 31.890 13.059 1.00 36.44 ? 22 ASP A N 1 +ATOM 162 C CA . ASP A 1 22 ? 17.606 33.086 13.307 1.00 38.80 ? 22 ASP A CA 1 +ATOM 163 C C . ASP A 1 22 ? 16.203 32.726 13.762 1.00 41.12 ? 22 ASP A C 1 +ATOM 164 O O . ASP A 1 22 ? 15.428 32.063 13.036 1.00 46.75 ? 22 ASP A O 1 +ATOM 165 C CB . ASP A 1 22 ? 17.546 34.053 12.090 1.00 41.79 ? 22 ASP A CB 1 +ATOM 166 C CG . ASP A 1 22 ? 16.889 35.387 12.362 1.00 32.21 ? 22 ASP A CG 1 +ATOM 167 O OD1 . ASP A 1 22 ? 16.061 35.590 13.234 1.00 48.21 ? 22 ASP A OD1 1 +ATOM 168 O OD2 . ASP A 1 22 ? 17.314 36.327 11.583 1.00 64.17 ? 22 ASP A OD2 1 +ATOM 169 N N . ARG A 1 23 ? 15.861 33.101 14.964 1.00 35.01 ? 23 ARG A N 1 +ATOM 170 C CA . ARG A 1 23 ? 14.547 32.828 15.480 1.00 43.67 ? 23 ARG A CA 1 +ATOM 171 C C . ARG A 1 23 ? 13.708 34.098 15.639 1.00 45.12 ? 23 ARG A C 1 +ATOM 172 O O . ARG A 1 23 ? 12.625 34.137 16.268 1.00 35.55 ? 23 ARG A O 1 +ATOM 173 C CB . ARG A 1 23 ? 14.624 32.026 16.774 1.00 48.43 ? 23 ARG A CB 1 +ATOM 174 C CG . ARG A 1 23 ? 15.323 30.690 16.584 1.00 39.41 ? 23 ARG A CG 1 +ATOM 175 C CD . ARG A 1 23 ? 14.387 29.491 16.527 1.00 55.46 ? 23 ARG A CD 1 +ATOM 176 N NE . ARG A 1 23 ? 14.976 28.361 15.795 1.00 100.00 ? 23 ARG A NE 1 +ATOM 177 C CZ . ARG A 1 23 ? 15.885 27.494 16.270 1.00 100.00 ? 23 ARG A CZ 1 +ATOM 178 N NH1 . ARG A 1 23 ? 16.380 27.567 17.508 1.00 100.00 ? 23 ARG A NH1 1 +ATOM 179 N NH2 . ARG A 1 23 ? 16.318 26.522 15.460 1.00 82.69 ? 23 ARG A NH2 1 +ATOM 180 N N . GLY A 1 24 ? 14.260 35.152 15.052 1.00 40.45 ? 24 GLY A N 1 +ATOM 181 C CA . GLY A 1 24 ? 13.666 36.464 15.093 1.00 37.69 ? 24 GLY A CA 1 +ATOM 182 C C . GLY A 1 24 ? 13.579 36.914 16.536 1.00 45.16 ? 24 GLY A C 1 +ATOM 183 O O . GLY A 1 24 ? 14.383 36.555 17.388 1.00 40.00 ? 24 GLY A O 1 +ATOM 184 N N . ILE A 1 25 ? 12.587 37.723 16.817 1.00 51.14 ? 25 ILE A N 1 +ATOM 185 C CA . ILE A 1 25 ? 12.422 38.173 18.176 1.00 47.73 ? 25 ILE A CA 1 +ATOM 186 C C . ILE A 1 25 ? 11.730 37.097 18.961 1.00 48.16 ? 25 ILE A C 1 +ATOM 187 O O . ILE A 1 25 ? 10.576 36.779 18.722 1.00 60.17 ? 25 ILE A O 1 +ATOM 188 C CB . ILE A 1 25 ? 11.675 39.478 18.263 1.00 46.69 ? 25 ILE A CB 1 +ATOM 189 C CG1 . ILE A 1 25 ? 12.617 40.588 17.864 1.00 26.08 ? 25 ILE A CG1 1 +ATOM 190 C CG2 . ILE A 1 25 ? 11.162 39.694 19.678 1.00 49.23 ? 25 ILE A CG2 1 +ATOM 191 C CD1 . ILE A 1 25 ? 12.423 40.920 16.396 1.00 55.81 ? 25 ILE A CD1 1 +ATOM 192 N N . CYS A 1 26 ? 12.485 36.551 19.895 1.00 45.84 ? 26 CYS A N 1 +ATOM 193 C CA . CYS A 1 26 ? 12.008 35.463 20.687 1.00 32.13 ? 26 CYS A CA 1 +ATOM 194 C C . CYS A 1 26 ? 12.434 35.585 22.123 1.00 34.90 ? 26 CYS A C 1 +ATOM 195 O O . CYS A 1 26 ? 13.492 36.148 22.424 1.00 35.85 ? 26 CYS A O 1 +ATOM 196 C CB . CYS A 1 26 ? 12.640 34.217 20.063 1.00 38.41 ? 26 CYS A CB 1 +ATOM 197 S SG . CYS A 1 26 ? 11.660 32.780 20.417 1.00 52.54 ? 26 CYS A SG 1 +ATOM 198 N N . ASP A 1 27 ? 11.622 34.996 22.993 1.00 34.60 ? 27 ASP A N 1 +ATOM 199 C CA . ASP A 1 27 ? 11.893 34.988 24.412 1.00 37.87 ? 27 ASP A CA 1 +ATOM 200 C C . ASP A 1 27 ? 12.670 33.724 24.840 1.00 36.26 ? 27 ASP A C 1 +ATOM 201 O O . ASP A 1 27 ? 12.701 32.714 24.138 1.00 38.61 ? 27 ASP A O 1 +ATOM 202 C CB . ASP A 1 27 ? 10.554 35.155 25.165 1.00 39.23 ? 27 ASP A CB 1 +ATOM 203 C CG . ASP A 1 27 ? 10.150 36.594 25.323 1.00 55.64 ? 27 ASP A CG 1 +ATOM 204 O OD1 . ASP A 1 27 ? 10.963 37.483 25.149 1.00 53.71 ? 27 ASP A OD1 1 +ATOM 205 O OD2 . ASP A 1 27 ? 8.882 36.785 25.672 1.00 36.72 ? 27 ASP A OD2 1 +ATOM 206 N N . VAL A 1 28 ? 13.310 33.796 26.007 1.00 29.12 ? 28 VAL A N 1 +ATOM 207 C CA . VAL A 1 28 ? 14.040 32.681 26.591 1.00 26.72 ? 28 VAL A CA 1 +ATOM 208 C C . VAL A 1 28 ? 13.779 32.633 28.085 1.00 30.23 ? 28 VAL A C 1 +ATOM 209 O O . VAL A 1 28 ? 13.947 33.617 28.792 1.00 39.51 ? 28 VAL A O 1 +ATOM 210 C CB . VAL A 1 28 ? 15.529 32.625 26.266 1.00 27.96 ? 28 VAL A CB 1 +ATOM 211 C CG1 . VAL A 1 28 ? 16.131 31.365 26.879 1.00 32.51 ? 28 VAL A CG1 1 +ATOM 212 C CG2 . VAL A 1 28 ? 15.763 32.599 24.751 1.00 21.83 ? 28 VAL A CG2 1 +ATOM 213 N N . LEU A 1 29 ? 13.302 31.485 28.530 1.00 18.74 ? 29 LEU A N 1 +ATOM 214 C CA . LEU A 1 29 ? 13.016 31.227 29.930 1.00 16.88 ? 29 LEU A CA 1 +ATOM 215 C C . LEU A 1 29 ? 14.033 30.200 30.474 1.00 29.96 ? 29 LEU A C 1 +ATOM 216 O O . LEU A 1 29 ? 14.221 29.091 29.937 1.00 24.85 ? 29 LEU A O 1 +ATOM 217 C CB . LEU A 1 29 ? 11.613 30.690 30.164 1.00 10.39 ? 29 LEU A CB 1 +ATOM 218 C CG . LEU A 1 29 ? 11.289 30.581 31.621 1.00 21.08 ? 29 LEU A CG 1 +ATOM 219 C CD1 . LEU A 1 29 ? 11.494 31.935 32.286 1.00 27.77 ? 29 LEU A CD1 1 +ATOM 220 C CD2 . LEU A 1 29 ? 9.866 30.095 31.835 1.00 21.91 ? 29 LEU A CD2 1 +ATOM 221 N N . VAL A 1 30 ? 14.684 30.607 31.556 1.00 35.17 ? 30 VAL A N 1 +ATOM 222 C CA . VAL A 1 30 ? 15.700 29.813 32.212 1.00 31.10 ? 30 VAL A CA 1 +ATOM 223 C C . VAL A 1 30 ? 15.359 29.457 33.646 1.00 30.17 ? 30 VAL A C 1 +ATOM 224 O O . VAL A 1 30 ? 14.707 30.197 34.404 1.00 38.29 ? 30 VAL A O 1 +ATOM 225 C CB . VAL A 1 30 ? 17.046 30.528 32.209 1.00 32.39 ? 30 VAL A CB 1 +ATOM 226 C CG1 . VAL A 1 30 ? 18.074 29.673 32.935 1.00 40.38 ? 30 VAL A CG1 1 +ATOM 227 C CG2 . VAL A 1 30 ? 17.510 30.771 30.776 1.00 32.06 ? 30 VAL A CG2 1 +ATOM 228 N N . ALA A 1 31 ? 15.876 28.297 34.015 1.00 14.34 ? 31 ALA A N 1 +ATOM 229 C CA . ALA A 1 31 ? 15.693 27.750 35.347 1.00 18.78 ? 31 ALA A CA 1 +ATOM 230 C C . ALA A 1 31 ? 16.772 26.738 35.627 1.00 22.66 ? 31 ALA A C 1 +ATOM 231 O O . ALA A 1 31 ? 17.130 25.930 34.752 1.00 20.90 ? 31 ALA A O 1 +ATOM 232 C CB . ALA A 1 31 ? 14.328 27.165 35.542 1.00 16.96 ? 31 ALA A CB 1 +ATOM 233 N N . ASN A 1 32 ? 17.282 26.835 36.856 1.00 19.36 ? 32 ASN A N 1 +ATOM 234 C CA . ASN A 1 32 ? 18.330 25.944 37.301 1.00 23.00 ? 32 ASN A CA 1 +ATOM 235 C C . ASN A 1 32 ? 19.434 25.909 36.295 1.00 28.17 ? 32 ASN A C 1 +ATOM 236 O O . ASN A 1 32 ? 20.066 24.884 36.081 1.00 37.64 ? 32 ASN A O 1 +ATOM 237 C CB . ASN A 1 32 ? 17.846 24.521 37.685 1.00 20.32 ? 32 ASN A CB 1 +ATOM 238 C CG . ASN A 1 32 ? 16.655 24.529 38.619 1.00 27.82 ? 32 ASN A CG 1 +ATOM 239 O OD1 . ASN A 1 32 ? 16.725 25.137 39.699 1.00 32.00 ? 32 ASN A OD1 1 +ATOM 240 N ND2 . ASN A 1 32 ? 15.560 23.899 38.181 1.00 30.04 ? 32 ASN A ND2 1 +ATOM 241 N N . GLY A 1 33 ? 19.681 27.034 35.658 1.00 17.96 ? 33 GLY A N 1 +ATOM 242 C CA . GLY A 1 33 ? 20.791 27.001 34.748 1.00 16.63 ? 33 GLY A CA 1 +ATOM 243 C C . GLY A 1 33 ? 20.460 26.320 33.468 1.00 24.25 ? 33 GLY A C 1 +ATOM 244 O O . GLY A 1 33 ? 21.311 26.166 32.602 1.00 33.94 ? 33 GLY A O 1 +ATOM 245 N N . LYS A 1 34 ? 19.195 25.953 33.313 1.00 31.50 ? 34 LYS A N 1 +ATOM 246 C CA . LYS A 1 34 ? 18.769 25.327 32.074 1.00 24.71 ? 34 LYS A CA 1 +ATOM 247 C C . LYS A 1 34 ? 17.804 26.218 31.307 1.00 26.33 ? 34 LYS A C 1 +ATOM 248 O O . LYS A 1 34 ? 17.075 27.044 31.876 1.00 22.94 ? 34 LYS A O 1 +ATOM 249 C CB . LYS A 1 34 ? 18.106 23.976 32.308 1.00 18.07 ? 34 LYS A CB 1 +ATOM 250 C CG . LYS A 1 34 ? 19.018 23.073 33.105 1.00 35.36 ? 34 LYS A CG 1 +ATOM 251 C CD . LYS A 1 34 ? 19.892 22.208 32.220 1.00 47.14 ? 34 LYS A CD 1 +ATOM 252 C CE . LYS A 1 34 ? 20.782 21.249 32.980 1.00 100.00 ? 34 LYS A CE 1 +ATOM 253 N NZ . LYS A 1 34 ? 20.326 19.850 32.936 1.00 100.00 ? 34 LYS A NZ 1 +ATOM 254 N N . ILE A 1 35 ? 17.793 26.004 30.002 1.00 19.35 ? 35 ILE A N 1 +ATOM 255 C CA . ILE A 1 35 ? 16.870 26.725 29.149 1.00 25.47 ? 35 ILE A CA 1 +ATOM 256 C C . ILE A 1 35 ? 15.595 25.943 29.189 1.00 32.69 ? 35 ILE A C 1 +ATOM 257 O O . ILE A 1 35 ? 15.525 24.816 28.693 1.00 22.21 ? 35 ILE A O 1 +ATOM 258 C CB . ILE A 1 35 ? 17.322 26.802 27.714 1.00 27.72 ? 35 ILE A CB 1 +ATOM 259 C CG1 . ILE A 1 35 ? 18.619 27.574 27.675 1.00 23.91 ? 35 ILE A CG1 1 +ATOM 260 C CG2 . ILE A 1 35 ? 16.211 27.504 26.921 1.00 28.36 ? 35 ILE A CG2 1 +ATOM 261 C CD1 . ILE A 1 35 ? 18.988 28.142 26.317 1.00 18.81 ? 35 ILE A CD1 1 +ATOM 262 N N . ILE A 1 36 ? 14.575 26.486 29.813 1.00 26.11 ? 36 ILE A N 1 +ATOM 263 C CA . ILE A 1 36 ? 13.421 25.637 29.856 1.00 26.55 ? 36 ILE A CA 1 +ATOM 264 C C . ILE A 1 36 ? 12.363 25.880 28.790 1.00 42.73 ? 36 ILE A C 1 +ATOM 265 O O . ILE A 1 36 ? 11.488 25.026 28.547 1.00 38.66 ? 36 ILE A O 1 +ATOM 266 C CB . ILE A 1 36 ? 12.846 25.483 31.241 1.00 23.51 ? 36 ILE A CB 1 +ATOM 267 C CG1 . ILE A 1 36 ? 12.636 26.887 31.790 1.00 22.94 ? 36 ILE A CG1 1 +ATOM 268 C CG2 . ILE A 1 36 ? 13.826 24.692 32.120 1.00 19.21 ? 36 ILE A CG2 1 +ATOM 269 C CD1 . ILE A 1 36 ? 11.481 26.996 32.783 1.00 33.95 ? 36 ILE A CD1 1 +ATOM 270 N N . ALA A 1 37 ? 12.457 27.027 28.145 1.00 38.86 ? 37 ALA A N 1 +ATOM 271 C CA . ALA A 1 37 ? 11.505 27.373 27.113 1.00 33.53 ? 37 ALA A CA 1 +ATOM 272 C C . ALA A 1 37 ? 11.950 28.509 26.241 1.00 13.37 ? 37 ALA A C 1 +ATOM 273 O O . ALA A 1 37 ? 12.452 29.547 26.673 1.00 36.76 ? 37 ALA A O 1 +ATOM 274 C CB . ALA A 1 37 ? 10.154 27.746 27.704 1.00 38.37 ? 37 ALA A CB 1 +ATOM 275 N N . VAL A 1 38 ? 11.677 28.331 24.972 1.00 34.10 ? 38 VAL A N 1 +ATOM 276 C CA . VAL A 1 38 ? 12.022 29.367 24.005 1.00 34.01 ? 38 VAL A CA 1 +ATOM 277 C C . VAL A 1 38 ? 10.793 29.605 23.154 1.00 51.29 ? 38 VAL A C 1 +ATOM 278 O O . VAL A 1 38 ? 10.298 28.684 22.486 1.00 46.79 ? 38 VAL A O 1 +ATOM 279 C CB . VAL A 1 38 ? 13.200 28.906 23.143 1.00 34.79 ? 38 VAL A CB 1 +ATOM 280 C CG1 . VAL A 1 38 ? 13.672 30.001 22.197 1.00 33.68 ? 38 VAL A CG1 1 +ATOM 281 C CG2 . VAL A 1 38 ? 14.352 28.336 23.983 1.00 31.82 ? 38 VAL A CG2 1 +ATOM 282 N N . ALA A 1 39 ? 10.282 30.827 23.203 1.00 41.75 ? 39 ALA A N 1 +ATOM 283 C CA . ALA A 1 39 ? 9.107 31.130 22.409 1.00 45.43 ? 39 ALA A CA 1 +ATOM 284 C C . ALA A 1 39 ? 8.820 32.599 22.400 1.00 53.81 ? 39 ALA A C 1 +ATOM 285 O O . ALA A 1 39 ? 9.301 33.354 23.249 1.00 51.92 ? 39 ALA A O 1 +ATOM 286 C CB . ALA A 1 39 ? 7.884 30.389 22.931 1.00 43.37 ? 39 ALA A CB 1 +ATOM 287 N N . SER A 1 40 ? 8.020 32.984 21.431 1.00 48.90 ? 40 SER A N 1 +ATOM 288 C CA . SER A 1 40 ? 7.648 34.377 21.352 1.00 52.01 ? 40 SER A CA 1 +ATOM 289 C C . SER A 1 40 ? 6.642 34.690 22.451 1.00 43.56 ? 40 SER A C 1 +ATOM 290 O O . SER A 1 40 ? 5.727 33.919 22.749 1.00 48.15 ? 40 SER A O 1 +ATOM 291 C CB . SER A 1 40 ? 7.047 34.714 19.994 1.00 53.63 ? 40 SER A CB 1 +ATOM 292 O OG . SER A 1 40 ? 7.864 35.645 19.314 1.00 65.13 ? 40 SER A OG 1 +ATOM 293 N N . ASN A 1 41 ? 6.812 35.821 23.084 1.00 34.85 ? 41 ASN A N 1 +ATOM 294 C CA . ASN A 1 41 ? 5.848 36.208 24.103 1.00 39.35 ? 41 ASN A CA 1 +ATOM 295 C C . ASN A 1 41 ? 5.515 35.240 25.232 1.00 59.75 ? 41 ASN A C 1 +ATOM 296 O O . ASN A 1 41 ? 4.476 34.578 25.253 1.00 63.46 ? 41 ASN A O 1 +ATOM 297 C CB . ASN A 1 41 ? 4.575 36.826 23.489 1.00 39.57 ? 41 ASN A CB 1 +ATOM 298 C CG . ASN A 1 41 ? 4.939 37.834 22.423 1.00 55.39 ? 41 ASN A CG 1 +ATOM 299 O OD1 . ASN A 1 41 ? 5.414 38.947 22.716 1.00 50.59 ? 41 ASN A OD1 1 +ATOM 300 N ND2 . ASN A 1 41 ? 4.734 37.430 21.170 1.00 93.59 ? 41 ASN A ND2 1 +ATOM 301 N N . ILE A 1 42 ? 6.409 35.231 26.213 1.00 51.82 ? 42 ILE A N 1 +ATOM 302 C CA . ILE A 1 42 ? 6.238 34.434 27.398 1.00 42.23 ? 42 ILE A CA 1 +ATOM 303 C C . ILE A 1 42 ? 5.771 35.365 28.492 1.00 35.38 ? 42 ILE A C 1 +ATOM 304 O O . ILE A 1 42 ? 6.268 36.479 28.678 1.00 49.68 ? 42 ILE A O 1 +ATOM 305 C CB . ILE A 1 42 ? 7.513 33.653 27.761 1.00 41.71 ? 42 ILE A CB 1 +ATOM 306 C CG1 . ILE A 1 42 ? 7.855 32.738 26.595 1.00 36.68 ? 42 ILE A CG1 1 +ATOM 307 C CG2 . ILE A 1 42 ? 7.292 32.830 29.027 1.00 38.51 ? 42 ILE A CG2 1 +ATOM 308 C CD1 . ILE A 1 42 ? 9.029 31.788 26.837 1.00 38.27 ? 42 ILE A CD1 1 +ATOM 309 N N . PRO A 1 43 ? 4.770 34.901 29.177 1.00 39.57 ? 43 PRO A N 1 +ATOM 310 C CA . PRO A 1 43 ? 4.169 35.625 30.265 1.00 38.65 ? 43 PRO A CA 1 +ATOM 311 C C . PRO A 1 43 ? 5.128 35.895 31.395 1.00 44.82 ? 43 PRO A C 1 +ATOM 312 O O . PRO A 1 43 ? 5.523 34.965 32.110 1.00 53.41 ? 43 PRO A O 1 +ATOM 313 C CB . PRO A 1 43 ? 3.055 34.722 30.797 1.00 34.69 ? 43 PRO A CB 1 +ATOM 314 C CG . PRO A 1 43 ? 2.997 33.499 29.882 1.00 56.00 ? 43 PRO A CG 1 +ATOM 315 C CD . PRO A 1 43 ? 3.966 33.737 28.733 1.00 42.87 ? 43 PRO A CD 1 +ATOM 316 N N . SER A 1 44 ? 5.475 37.159 31.577 1.00 32.84 ? 44 SER A N 1 +ATOM 317 C CA . SER A 1 44 ? 6.377 37.493 32.673 1.00 44.90 ? 44 SER A CA 1 +ATOM 318 C C . SER A 1 44 ? 5.936 36.912 34.025 1.00 56.73 ? 44 SER A C 1 +ATOM 319 O O . SER A 1 44 ? 6.686 36.916 34.994 1.00 64.92 ? 44 SER A O 1 +ATOM 320 C CB . SER A 1 44 ? 6.403 38.994 32.801 1.00 46.57 ? 44 SER A CB 1 +ATOM 321 O OG . SER A 1 44 ? 5.119 39.453 32.396 1.00 100.00 ? 44 SER A OG 1 +ATOM 322 N N . ASP A 1 45 ? 4.693 36.453 34.103 1.00 45.92 ? 45 ASP A N 1 +ATOM 323 C CA . ASP A 1 45 ? 4.171 35.948 35.342 1.00 42.77 ? 45 ASP A CA 1 +ATOM 324 C C . ASP A 1 45 ? 3.994 34.446 35.328 1.00 44.04 ? 45 ASP A C 1 +ATOM 325 O O . ASP A 1 45 ? 3.521 33.869 36.301 1.00 56.81 ? 45 ASP A O 1 +ATOM 326 C CB . ASP A 1 45 ? 2.876 36.698 35.713 1.00 56.00 ? 45 ASP A CB 1 +ATOM 327 C CG . ASP A 1 45 ? 1.788 36.472 34.701 1.00 100.00 ? 45 ASP A CG 1 +ATOM 328 O OD1 . ASP A 1 45 ? 1.884 35.592 33.826 1.00 100.00 ? 45 ASP A OD1 1 +ATOM 329 O OD2 . ASP A 1 45 ? 0.763 37.290 34.848 1.00 100.00 ? 45 ASP A OD2 1 +ATOM 330 N N . ILE A 1 46 ? 4.364 33.820 34.218 1.00 40.23 ? 46 ILE A N 1 +ATOM 331 C CA . ILE A 1 46 ? 4.279 32.381 34.029 1.00 33.81 ? 46 ILE A CA 1 +ATOM 332 C C . ILE A 1 46 ? 4.917 31.575 35.197 1.00 46.38 ? 46 ILE A C 1 +ATOM 333 O O . ILE A 1 46 ? 4.498 30.463 35.563 1.00 41.41 ? 46 ILE A O 1 +ATOM 334 C CB . ILE A 1 46 ? 4.866 32.069 32.650 1.00 34.95 ? 46 ILE A CB 1 +ATOM 335 C CG1 . ILE A 1 46 ? 4.518 30.675 32.178 1.00 25.01 ? 46 ILE A CG1 1 +ATOM 336 C CG2 . ILE A 1 46 ? 6.352 32.311 32.640 1.00 39.78 ? 46 ILE A CG2 1 +ATOM 337 C CD1 . ILE A 1 46 ? 3.046 30.605 31.778 1.00 36.10 ? 46 ILE A CD1 1 +ATOM 338 N N . VAL A 1 47 ? 5.956 32.153 35.810 1.00 44.31 ? 47 VAL A N 1 +ATOM 339 C CA . VAL A 1 47 ? 6.630 31.556 36.955 1.00 31.24 ? 47 VAL A CA 1 +ATOM 340 C C . VAL A 1 47 ? 6.896 32.582 38.041 1.00 32.36 ? 47 VAL A C 1 +ATOM 341 O O . VAL A 1 47 ? 7.187 33.759 37.774 1.00 47.89 ? 47 VAL A O 1 +ATOM 342 C CB . VAL A 1 47 ? 7.914 30.806 36.614 1.00 30.29 ? 47 VAL A CB 1 +ATOM 343 C CG1 . VAL A 1 47 ? 7.559 29.540 35.836 1.00 26.44 ? 47 VAL A CG1 1 +ATOM 344 C CG2 . VAL A 1 47 ? 8.869 31.706 35.812 1.00 37.43 ? 47 VAL A CG2 1 +ATOM 345 N N . PRO A 1 48 ? 6.809 32.091 39.266 1.00 36.89 ? 48 PRO A N 1 +ATOM 346 C CA . PRO A 1 48 ? 7.038 32.873 40.474 1.00 34.80 ? 48 PRO A CA 1 +ATOM 347 C C . PRO A 1 48 ? 8.480 33.394 40.575 1.00 50.97 ? 48 PRO A C 1 +ATOM 348 O O . PRO A 1 48 ? 9.392 32.948 39.867 1.00 50.13 ? 48 PRO A O 1 +ATOM 349 C CB . PRO A 1 48 ? 6.758 31.892 41.639 1.00 25.71 ? 48 PRO A CB 1 +ATOM 350 C CG . PRO A 1 48 ? 6.366 30.553 41.032 1.00 41.59 ? 48 PRO A CG 1 +ATOM 351 C CD . PRO A 1 48 ? 6.331 30.704 39.509 1.00 32.78 ? 48 PRO A CD 1 +ATOM 352 N N . ASN A 1 49 ? 8.684 34.359 41.470 1.00 49.23 ? 49 ASN A N 1 +ATOM 353 C CA . ASN A 1 49 ? 10.019 34.893 41.716 1.00 56.10 ? 49 ASN A CA 1 +ATOM 354 C C . ASN A 1 49 ? 10.894 34.961 40.469 1.00 55.95 ? 49 ASN A C 1 +ATOM 355 O O . ASN A 1 49 ? 12.082 34.621 40.518 1.00 55.65 ? 49 ASN A O 1 +ATOM 356 C CB . ASN A 1 49 ? 10.768 33.994 42.727 1.00 45.53 ? 49 ASN A CB 1 +ATOM 357 C CG . ASN A 1 49 ? 10.280 34.051 44.171 1.00 92.27 ? 49 ASN A CG 1 +ATOM 358 O OD1 . ASN A 1 49 ? 9.846 33.038 44.746 1.00 48.27 ? 49 ASN A OD1 1 +ATOM 359 N ND2 . ASN A 1 49 ? 10.404 35.214 44.804 1.00 58.29 ? 49 ASN A ND2 1 +ATOM 360 N N . CYS A 1 50 ? 10.312 35.394 39.366 1.00 48.39 ? 50 CYS A N 1 +ATOM 361 C CA . CYS A 1 50 ? 11.080 35.491 38.135 1.00 42.03 ? 50 CYS A CA 1 +ATOM 362 C C . CYS A 1 50 ? 11.812 36.808 38.009 1.00 56.01 ? 50 CYS A C 1 +ATOM 363 O O . CYS A 1 50 ? 11.367 37.863 38.462 1.00 63.08 ? 50 CYS A O 1 +ATOM 364 C CB . CYS A 1 50 ? 10.224 35.223 36.873 1.00 37.44 ? 50 CYS A CB 1 +ATOM 365 S SG . CYS A 1 50 ? 11.223 35.038 35.370 1.00 45.27 ? 50 CYS A SG 1 +ATOM 366 N N . THR A 1 51 ? 12.967 36.719 37.388 1.00 47.86 ? 51 THR A N 1 +ATOM 367 C CA . THR A 1 51 ? 13.758 37.889 37.141 1.00 35.94 ? 51 THR A CA 1 +ATOM 368 C C . THR A 1 51 ? 13.579 38.178 35.668 1.00 33.96 ? 51 THR A C 1 +ATOM 369 O O . THR A 1 51 ? 13.914 37.363 34.803 1.00 28.57 ? 51 THR A O 1 +ATOM 370 C CB . THR A 1 51 ? 15.228 37.666 37.469 1.00 52.04 ? 51 THR A CB 1 +ATOM 371 O OG1 . THR A 1 51 ? 15.360 37.574 38.862 1.00 50.09 ? 51 THR A OG1 1 +ATOM 372 C CG2 . THR A 1 51 ? 16.054 38.805 36.858 1.00 33.89 ? 51 THR A CG2 1 +ATOM 373 N N . VAL A 1 52 ? 12.979 39.307 35.394 1.00 35.35 ? 52 VAL A N 1 +ATOM 374 C CA . VAL A 1 52 ? 12.720 39.628 34.014 1.00 42.11 ? 52 VAL A CA 1 +ATOM 375 C C . VAL A 1 52 ? 13.742 40.572 33.460 1.00 46.90 ? 52 VAL A C 1 +ATOM 376 O O . VAL A 1 52 ? 14.085 41.588 34.090 1.00 46.15 ? 52 VAL A O 1 +ATOM 377 C CB . VAL A 1 52 ? 11.284 40.065 33.739 1.00 45.03 ? 52 VAL A CB 1 +ATOM 378 C CG1 . VAL A 1 52 ? 11.040 39.907 32.248 1.00 47.23 ? 52 VAL A CG1 1 +ATOM 379 C CG2 . VAL A 1 52 ? 10.286 39.230 34.538 1.00 38.57 ? 52 VAL A CG2 1 +ATOM 380 N N . VAL A 1 53 ? 14.230 40.210 32.280 1.00 30.62 ? 53 VAL A N 1 +ATOM 381 C CA . VAL A 1 53 ? 15.240 41.025 31.625 1.00 27.78 ? 53 VAL A CA 1 +ATOM 382 C C . VAL A 1 53 ? 14.792 41.511 30.255 1.00 35.14 ? 53 VAL A C 1 +ATOM 383 O O . VAL A 1 53 ? 14.430 40.705 29.389 1.00 38.97 ? 53 VAL A O 1 +ATOM 384 C CB . VAL A 1 53 ? 16.577 40.299 31.588 1.00 37.13 ? 53 VAL A CB 1 +ATOM 385 C CG1 . VAL A 1 53 ? 17.706 41.198 31.067 1.00 43.31 ? 53 VAL A CG1 1 +ATOM 386 C CG2 . VAL A 1 53 ? 16.876 39.810 32.998 1.00 35.67 ? 53 VAL A CG2 1 +ATOM 387 N N . ASP A 1 54 ? 14.794 42.849 30.080 1.00 42.24 ? 54 ASP A N 1 +ATOM 388 C CA . ASP A 1 54 ? 14.384 43.433 28.808 1.00 43.90 ? 54 ASP A CA 1 +ATOM 389 C C . ASP A 1 54 ? 15.526 43.503 27.798 1.00 37.88 ? 54 ASP A C 1 +ATOM 390 O O . ASP A 1 54 ? 16.409 44.350 27.935 1.00 36.39 ? 54 ASP A O 1 +ATOM 391 C CB . ASP A 1 54 ? 13.725 44.811 28.944 1.00 42.02 ? 54 ASP A CB 1 +ATOM 392 C CG . ASP A 1 54 ? 13.396 45.361 27.578 1.00 61.40 ? 54 ASP A CG 1 +ATOM 393 O OD1 . ASP A 1 54 ? 12.778 44.736 26.728 1.00 63.08 ? 54 ASP A OD1 1 +ATOM 394 O OD2 . ASP A 1 54 ? 13.894 46.559 27.398 1.00 60.18 ? 54 ASP A OD2 1 +ATOM 395 N N . LEU A 1 55 ? 15.526 42.626 26.786 1.00 33.96 ? 55 LEU A N 1 +ATOM 396 C CA . LEU A 1 55 ? 16.616 42.608 25.797 1.00 46.12 ? 55 LEU A CA 1 +ATOM 397 C C . LEU A 1 55 ? 16.262 43.256 24.484 1.00 34.78 ? 55 LEU A C 1 +ATOM 398 O O . LEU A 1 55 ? 16.970 43.157 23.454 1.00 27.94 ? 55 LEU A O 1 +ATOM 399 C CB . LEU A 1 55 ? 17.185 41.208 25.570 1.00 46.23 ? 55 LEU A CB 1 +ATOM 400 C CG . LEU A 1 55 ? 17.842 40.565 26.796 1.00 37.61 ? 55 LEU A CG 1 +ATOM 401 C CD1 . LEU A 1 55 ? 18.866 39.585 26.260 1.00 32.62 ? 55 LEU A CD1 1 +ATOM 402 C CD2 . LEU A 1 55 ? 18.582 41.565 27.693 1.00 17.87 ? 55 LEU A CD2 1 +ATOM 403 N N . SER A 1 56 ? 15.118 43.914 24.572 1.00 24.68 ? 56 SER A N 1 +ATOM 404 C CA . SER A 1 56 ? 14.614 44.638 23.431 1.00 34.23 ? 56 SER A CA 1 +ATOM 405 C C . SER A 1 56 ? 15.726 45.500 22.834 1.00 30.35 ? 56 SER A C 1 +ATOM 406 O O . SER A 1 56 ? 16.419 46.282 23.495 1.00 41.21 ? 56 SER A O 1 +ATOM 407 C CB . SER A 1 56 ? 13.436 45.512 23.810 1.00 35.87 ? 56 SER A CB 1 +ATOM 408 O OG . SER A 1 56 ? 13.870 46.430 24.812 1.00 86.78 ? 56 SER A OG 1 +ATOM 409 N N . GLY A 1 57 ? 15.895 45.394 21.546 1.00 38.87 ? 57 GLY A N 1 +ATOM 410 C CA . GLY A 1 57 ? 16.911 46.192 20.913 1.00 37.90 ? 57 GLY A CA 1 +ATOM 411 C C . GLY A 1 57 ? 18.187 45.399 20.760 1.00 48.31 ? 57 GLY A C 1 +ATOM 412 O O . GLY A 1 57 ? 19.060 45.782 19.964 1.00 35.91 ? 57 GLY A O 1 +ATOM 413 N N . GLN A 1 58 ? 18.274 44.295 21.523 1.00 52.21 ? 58 GLN A N 1 +ATOM 414 C CA . GLN A 1 58 ? 19.468 43.499 21.447 1.00 48.12 ? 58 GLN A CA 1 +ATOM 415 C C . GLN A 1 58 ? 19.382 42.148 20.805 1.00 59.38 ? 58 GLN A C 1 +ATOM 416 O O . GLN A 1 58 ? 18.317 41.675 20.419 1.00 67.44 ? 58 GLN A O 1 +ATOM 417 C CB . GLN A 1 58 ? 20.316 43.508 22.707 1.00 51.18 ? 58 GLN A CB 1 +ATOM 418 C CG . GLN A 1 58 ? 20.709 44.945 23.106 1.00 40.04 ? 58 GLN A CG 1 +ATOM 419 C CD . GLN A 1 58 ? 19.928 45.293 24.343 1.00 97.30 ? 58 GLN A CD 1 +ATOM 420 O OE1 . GLN A 1 58 ? 18.845 44.708 24.555 1.00 97.57 ? 58 GLN A OE1 1 +ATOM 421 N NE2 . GLN A 1 58 ? 20.480 46.177 25.173 1.00 100.00 ? 58 GLN A NE2 1 +ATOM 422 N N . ILE A 1 59 ? 20.576 41.572 20.703 1.00 52.19 ? 59 ILE A N 1 +ATOM 423 C CA . ILE A 1 59 ? 20.825 40.273 20.125 1.00 42.86 ? 59 ILE A CA 1 +ATOM 424 C C . ILE A 1 59 ? 21.194 39.257 21.190 1.00 46.06 ? 59 ILE A C 1 +ATOM 425 O O . ILE A 1 59 ? 22.031 39.436 22.083 1.00 25.40 ? 59 ILE A O 1 +ATOM 426 C CB . ILE A 1 59 ? 22.003 40.325 19.166 1.00 41.71 ? 59 ILE A CB 1 +ATOM 427 C CG1 . ILE A 1 59 ? 21.692 41.233 17.982 1.00 46.06 ? 59 ILE A CG1 1 +ATOM 428 C CG2 . ILE A 1 59 ? 22.304 38.910 18.694 1.00 34.53 ? 59 ILE A CG2 1 +ATOM 429 C CD1 . ILE A 1 59 ? 22.893 41.444 17.081 1.00 98.91 ? 59 ILE A CD1 1 +ATOM 430 N N . LEU A 1 60 ? 20.600 38.115 21.067 1.00 46.06 ? 60 LEU A N 1 +ATOM 431 C CA . LEU A 1 60 ? 20.939 37.114 22.025 1.00 40.27 ? 60 LEU A CA 1 +ATOM 432 C C . LEU A 1 60 ? 21.388 35.883 21.273 1.00 43.64 ? 60 LEU A C 1 +ATOM 433 O O . LEU A 1 60 ? 20.766 35.507 20.277 1.00 35.76 ? 60 LEU A O 1 +ATOM 434 C CB . LEU A 1 60 ? 19.693 36.819 22.855 1.00 34.17 ? 60 LEU A CB 1 +ATOM 435 C CG . LEU A 1 60 ? 19.815 35.621 23.769 1.00 39.73 ? 60 LEU A CG 1 +ATOM 436 C CD1 . LEU A 1 60 ? 20.576 35.954 25.051 1.00 29.95 ? 60 LEU A CD1 1 +ATOM 437 C CD2 . LEU A 1 60 ? 18.417 35.096 24.080 1.00 27.15 ? 60 LEU A CD2 1 +ATOM 438 N N . CYS A 1 61 ? 22.479 35.273 21.739 1.00 32.42 ? 61 CYS A N 1 +ATOM 439 C CA . CYS A 1 61 ? 22.993 34.072 21.090 1.00 26.39 ? 61 CYS A CA 1 +ATOM 440 C C . CYS A 1 61 ? 23.755 33.130 22.036 1.00 30.12 ? 61 CYS A C 1 +ATOM 441 O O . CYS A 1 61 ? 23.965 33.366 23.243 1.00 26.60 ? 61 CYS A O 1 +ATOM 442 C CB . CYS A 1 61 ? 23.835 34.494 19.892 1.00 30.28 ? 61 CYS A CB 1 +ATOM 443 S SG . CYS A 1 61 ? 25.311 35.242 20.573 1.00 37.09 ? 61 CYS A SG 1 +ATOM 444 N N . PRO A 1 62 ? 24.230 32.040 21.469 1.00 25.97 ? 62 PRO A N 1 +ATOM 445 C CA . PRO A 1 62 ? 24.906 31.107 22.312 1.00 23.68 ? 62 PRO A CA 1 +ATOM 446 C C . PRO A 1 62 ? 26.309 31.556 22.691 1.00 19.54 ? 62 PRO A C 1 +ATOM 447 O O . PRO A 1 62 ? 26.997 32.234 21.930 1.00 20.00 ? 62 PRO A O 1 +ATOM 448 C CB . PRO A 1 62 ? 24.912 29.784 21.539 1.00 26.96 ? 62 PRO A CB 1 +ATOM 449 C CG . PRO A 1 62 ? 24.213 30.029 20.225 1.00 27.87 ? 62 PRO A CG 1 +ATOM 450 C CD . PRO A 1 62 ? 24.213 31.525 20.080 1.00 25.91 ? 62 PRO A CD 1 +ATOM 451 N N . GLY A 1 63 ? 26.745 31.170 23.878 1.00 22.54 ? 63 GLY A N 1 +ATOM 452 C CA . GLY A 1 63 ? 28.087 31.523 24.311 1.00 26.66 ? 63 GLY A CA 1 +ATOM 453 C C . GLY A 1 63 ? 29.102 30.713 23.546 1.00 25.56 ? 63 GLY A C 1 +ATOM 454 O O . GLY A 1 63 ? 28.842 29.567 23.184 1.00 23.13 ? 63 GLY A O 1 +ATOM 455 N N . PHE A 1 64 ? 30.271 31.296 23.330 1.00 21.04 ? 64 PHE A N 1 +ATOM 456 C CA . PHE A 1 64 ? 31.339 30.605 22.621 1.00 18.32 ? 64 PHE A CA 1 +ATOM 457 C C . PHE A 1 64 ? 32.049 29.467 23.374 1.00 22.17 ? 64 PHE A C 1 +ATOM 458 O O . PHE A 1 64 ? 32.313 29.528 24.566 1.00 21.52 ? 64 PHE A O 1 +ATOM 459 C CB . PHE A 1 64 ? 32.481 31.544 22.218 1.00 23.90 ? 64 PHE A CB 1 +ATOM 460 C CG . PHE A 1 64 ? 32.047 32.786 21.482 1.00 26.12 ? 64 PHE A CG 1 +ATOM 461 C CD1 . PHE A 1 64 ? 30.898 32.782 20.693 1.00 25.24 ? 64 PHE A CD1 1 +ATOM 462 C CD2 . PHE A 1 64 ? 32.819 33.947 21.509 1.00 35.43 ? 64 PHE A CD2 1 +ATOM 463 C CE1 . PHE A 1 64 ? 30.515 33.898 19.950 1.00 18.29 ? 64 PHE A CE1 1 +ATOM 464 C CE2 . PHE A 1 64 ? 32.446 35.087 20.795 1.00 27.05 ? 64 PHE A CE2 1 +ATOM 465 C CZ . PHE A 1 64 ? 31.291 35.058 20.011 1.00 18.07 ? 64 PHE A CZ 1 +ATOM 466 N N . ILE A 1 65 ? 32.411 28.484 22.575 1.00 21.90 ? 65 ILE A N 1 +ATOM 467 C CA . ILE A 1 65 ? 33.193 27.333 22.898 1.00 23.32 ? 65 ILE A CA 1 +ATOM 468 C C . ILE A 1 65 ? 34.578 27.510 22.240 1.00 18.77 ? 65 ILE A C 1 +ATOM 469 O O . ILE A 1 65 ? 34.762 27.482 21.019 1.00 25.14 ? 65 ILE A O 1 +ATOM 470 C CB . ILE A 1 65 ? 32.504 26.062 22.411 1.00 24.48 ? 65 ILE A CB 1 +ATOM 471 C CG1 . ILE A 1 65 ? 30.986 26.159 22.697 1.00 19.37 ? 65 ILE A CG1 1 +ATOM 472 C CG2 . ILE A 1 65 ? 33.119 24.841 23.096 1.00 23.65 ? 65 ILE A CG2 1 +ATOM 473 C CD1 . ILE A 1 65 ? 30.198 24.907 22.330 1.00 15.60 ? 65 ILE A CD1 1 +ATOM 474 N N . ASP A 1 66 ? 35.582 27.731 23.072 1.00 18.62 ? 66 ASP A N 1 +ATOM 475 C CA . ASP A 1 66 ? 36.951 27.857 22.593 1.00 9.80 ? 66 ASP A CA 1 +ATOM 476 C C . ASP A 1 66 ? 37.706 26.579 22.935 1.00 25.33 ? 66 ASP A C 1 +ATOM 477 O O . ASP A 1 66 ? 38.036 26.296 24.083 1.00 17.94 ? 66 ASP A O 1 +ATOM 478 C CB . ASP A 1 66 ? 37.644 29.051 23.211 1.00 9.35 ? 66 ASP A CB 1 +ATOM 479 C CG . ASP A 1 66 ? 38.960 29.299 22.560 1.00 9.28 ? 66 ASP A CG 1 +ATOM 480 O OD1 . ASP A 1 66 ? 39.509 28.519 21.773 1.00 24.71 ? 66 ASP A OD1 1 +ATOM 481 O OD2 . ASP A 1 66 ? 39.486 30.414 22.998 1.00 19.41 ? 66 ASP A OD2 1 +ATOM 482 N N . GLN A 1 67 ? 37.945 25.749 21.954 1.00 25.60 ? 67 GLN A N 1 +ATOM 483 C CA . GLN A 1 67 ? 38.572 24.489 22.266 1.00 20.83 ? 67 GLN A CA 1 +ATOM 484 C C . GLN A 1 67 ? 40.068 24.497 22.193 1.00 27.64 ? 67 GLN A C 1 +ATOM 485 O O . GLN A 1 67 ? 40.642 23.462 21.939 1.00 25.09 ? 67 GLN A O 1 +ATOM 486 C CB . GLN A 1 67 ? 38.061 23.444 21.249 1.00 16.17 ? 67 GLN A CB 1 +ATOM 487 C CG . GLN A 1 67 ? 38.557 23.674 19.801 1.00 22.61 ? 67 GLN A CG 1 +ATOM 488 C CD . GLN A 1 67 ? 38.084 22.556 18.862 1.00 32.01 ? 67 GLN A CD 1 +ATOM 489 O OE1 . GLN A 1 67 ? 37.959 21.399 19.278 1.00 30.04 ? 67 GLN A OE1 1 +ATOM 490 N NE2 . GLN A 1 67 ? 37.861 22.864 17.587 1.00 25.70 ? 67 GLN A NE2 1 +ATOM 491 N N . HIS A 1 68 ? 40.726 25.610 22.422 1.00 20.67 ? 68 HIS A N 1 +ATOM 492 C CA . HIS A 1 68 ? 42.158 25.575 22.292 1.00 23.44 ? 68 HIS A CA 1 +ATOM 493 C C . HIS A 1 68 ? 42.824 26.628 23.136 1.00 23.72 ? 68 HIS A C 1 +ATOM 494 O O . HIS A 1 68 ? 43.329 27.623 22.656 1.00 19.04 ? 68 HIS A O 1 +ATOM 495 C CB . HIS A 1 68 ? 42.559 25.741 20.805 1.00 24.34 ? 68 HIS A CB 1 +ATOM 496 C CG . HIS A 1 68 ? 43.998 25.425 20.559 1.00 23.40 ? 68 HIS A CG 1 +ATOM 497 N ND1 . HIS A 1 68 ? 44.361 24.395 19.716 1.00 21.42 ? 68 HIS A ND1 1 +ATOM 498 C CD2 . HIS A 1 68 ? 45.135 25.971 21.083 1.00 25.57 ? 68 HIS A CD2 1 +ATOM 499 C CE1 . HIS A 1 68 ? 45.698 24.342 19.730 1.00 26.84 ? 68 HIS A CE1 1 +ATOM 500 N NE2 . HIS A 1 68 ? 46.185 25.280 20.539 1.00 22.62 ? 68 HIS A NE2 1 +ATOM 501 N N . VAL A 1 69 ? 42.824 26.384 24.406 1.00 21.05 ? 69 VAL A N 1 +ATOM 502 C CA . VAL A 1 69 ? 43.392 27.342 25.297 1.00 20.14 ? 69 VAL A CA 1 +ATOM 503 C C . VAL A 1 69 ? 44.419 26.732 26.231 1.00 25.90 ? 69 VAL A C 1 +ATOM 504 O O . VAL A 1 69 ? 44.246 25.620 26.770 1.00 13.37 ? 69 VAL A O 1 +ATOM 505 C CB . VAL A 1 69 ? 42.221 27.881 26.150 1.00 16.08 ? 69 VAL A CB 1 +ATOM 506 C CG1 . VAL A 1 69 ? 42.673 29.062 27.036 1.00 10.33 ? 69 VAL A CG1 1 +ATOM 507 C CG2 . VAL A 1 69 ? 41.099 28.298 25.201 1.00 20.30 ? 69 VAL A CG2 1 +ATOM 508 N N . HIS A 1 70 ? 45.456 27.505 26.469 1.00 26.55 ? 70 HIS A N 1 +ATOM 509 C CA . HIS A 1 70 ? 46.498 27.093 27.397 1.00 15.12 ? 70 HIS A CA 1 +ATOM 510 C C . HIS A 1 70 ? 46.149 27.581 28.778 1.00 20.76 ? 70 HIS A C 1 +ATOM 511 O O . HIS A 1 70 ? 46.734 28.551 29.288 1.00 20.94 ? 70 HIS A O 1 +ATOM 512 C CB . HIS A 1 70 ? 47.854 27.627 26.977 1.00 16.14 ? 70 HIS A CB 1 +ATOM 513 C CG . HIS A 1 70 ? 48.191 27.057 25.663 1.00 16.13 ? 70 HIS A CG 1 +ATOM 514 N ND1 . HIS A 1 70 ? 48.939 25.915 25.578 1.00 19.92 ? 70 HIS A ND1 1 +ATOM 515 C CD2 . HIS A 1 70 ? 47.833 27.471 24.436 1.00 18.89 ? 70 HIS A CD2 1 +ATOM 516 C CE1 . HIS A 1 70 ? 49.037 25.654 24.308 1.00 14.72 ? 70 HIS A CE1 1 +ATOM 517 N NE2 . HIS A 1 70 ? 48.406 26.575 23.602 1.00 17.33 ? 70 HIS A NE2 1 +ATOM 518 N N . LEU A 1 71 ? 45.131 26.919 29.338 1.00 22.26 ? 71 LEU A N 1 +ATOM 519 C CA . LEU A 1 71 ? 44.558 27.261 30.635 1.00 15.56 ? 71 LEU A CA 1 +ATOM 520 C C . LEU A 1 71 ? 45.564 27.626 31.733 1.00 22.88 ? 71 LEU A C 1 +ATOM 521 O O . LEU A 1 71 ? 45.395 28.633 32.444 1.00 23.74 ? 71 LEU A O 1 +ATOM 522 C CB . LEU A 1 71 ? 43.522 26.198 31.076 1.00 13.97 ? 71 LEU A CB 1 +ATOM 523 C CG . LEU A 1 71 ? 42.339 26.071 30.130 1.00 22.11 ? 71 LEU A CG 1 +ATOM 524 C CD1 . LEU A 1 71 ? 41.385 24.966 30.623 1.00 20.47 ? 71 LEU A CD1 1 +ATOM 525 C CD2 . LEU A 1 71 ? 41.601 27.417 30.072 1.00 26.52 ? 71 LEU A CD2 1 +ATOM 526 N N . ILE A 1 72 ? 46.593 26.795 31.878 1.00 21.75 ? 72 ILE A N 1 +ATOM 527 C CA . ILE A 1 72 ? 47.590 26.997 32.917 1.00 20.45 ? 72 ILE A CA 1 +ATOM 528 C C . ILE A 1 72 ? 48.804 27.769 32.450 1.00 22.56 ? 72 ILE A C 1 +ATOM 529 O O . ILE A 1 72 ? 49.758 27.976 33.185 1.00 20.78 ? 72 ILE A O 1 +ATOM 530 C CB . ILE A 1 72 ? 48.038 25.675 33.561 1.00 17.53 ? 72 ILE A CB 1 +ATOM 531 C CG1 . ILE A 1 72 ? 48.924 24.885 32.607 1.00 17.03 ? 72 ILE A CG1 1 +ATOM 532 C CG2 . ILE A 1 72 ? 46.860 24.867 34.163 1.00 6.44 ? 72 ILE A CG2 1 +ATOM 533 C CD1 . ILE A 1 72 ? 49.376 23.506 33.110 1.00 10.25 ? 72 ILE A CD1 1 +ATOM 534 N N . GLY A 1 73 ? 48.793 28.178 31.210 1.00 20.89 ? 73 GLY A N 1 +ATOM 535 C CA . GLY A 1 73 ? 49.942 28.903 30.692 1.00 5.64 ? 73 GLY A CA 1 +ATOM 536 C C . GLY A 1 73 ? 50.619 27.997 29.700 1.00 26.99 ? 73 GLY A C 1 +ATOM 537 O O . GLY A 1 73 ? 50.284 26.796 29.621 1.00 15.22 ? 73 GLY A O 1 +ATOM 538 N N . GLY A 1 74 ? 51.559 28.588 28.976 1.00 19.68 ? 74 GLY A N 1 +ATOM 539 C CA . GLY A 1 74 ? 52.286 27.873 27.983 1.00 15.50 ? 74 GLY A CA 1 +ATOM 540 C C . GLY A 1 74 ? 53.592 28.584 27.777 1.00 30.30 ? 74 GLY A C 1 +ATOM 541 O O . GLY A 1 74 ? 54.224 29.060 28.743 1.00 15.05 ? 74 GLY A O 1 +ATOM 542 N N . GLY A 1 75 ? 53.979 28.655 26.510 1.00 22.92 ? 75 GLY A N 1 +ATOM 543 C CA . GLY A 1 75 ? 55.221 29.300 26.189 1.00 28.61 ? 75 GLY A CA 1 +ATOM 544 C C . GLY A 1 75 ? 56.430 28.480 26.644 1.00 36.59 ? 75 GLY A C 1 +ATOM 545 O O . GLY A 1 75 ? 56.330 27.270 26.779 1.00 22.69 ? 75 GLY A O 1 +ATOM 546 N N . GLY A 1 76 ? 57.570 29.159 26.841 1.00 23.43 ? 76 GLY A N 1 +ATOM 547 C CA . GLY A 1 76 ? 58.787 28.516 27.240 1.00 25.21 ? 76 GLY A CA 1 +ATOM 548 C C . GLY A 1 76 ? 59.767 28.308 26.107 1.00 28.57 ? 76 GLY A C 1 +ATOM 549 O O . GLY A 1 76 ? 60.892 27.902 26.353 1.00 23.20 ? 76 GLY A O 1 +ATOM 550 N N . GLU A 1 77 ? 59.331 28.574 24.876 1.00 30.39 ? 77 GLU A N 1 +ATOM 551 C CA . GLU A 1 77 ? 60.148 28.377 23.686 1.00 19.06 ? 77 GLU A CA 1 +ATOM 552 C C . GLU A 1 77 ? 61.428 29.175 23.663 1.00 15.10 ? 77 GLU A C 1 +ATOM 553 O O . GLU A 1 77 ? 62.348 28.894 22.947 1.00 21.21 ? 77 GLU A O 1 +ATOM 554 C CB . GLU A 1 77 ? 59.361 28.597 22.386 1.00 29.53 ? 77 GLU A CB 1 +ATOM 555 C CG . GLU A 1 77 ? 58.309 27.501 22.098 1.00 30.63 ? 77 GLU A CG 1 +ATOM 556 C CD . GLU A 1 77 ? 56.921 27.908 22.493 1.00 39.63 ? 77 GLU A CD 1 +ATOM 557 O OE1 . GLU A 1 77 ? 56.689 28.767 23.340 1.00 40.04 ? 77 GLU A OE1 1 +ATOM 558 O OE2 . GLU A 1 77 ? 56.021 27.269 21.794 1.00 41.28 ? 77 GLU A OE2 1 +ATOM 559 N N . ALA A 1 78 ? 61.512 30.176 24.478 1.00 16.90 ? 78 ALA A N 1 +ATOM 560 C CA . ALA A 1 78 ? 62.733 30.911 24.496 1.00 19.99 ? 78 ALA A CA 1 +ATOM 561 C C . ALA A 1 78 ? 63.205 31.021 25.933 1.00 21.25 ? 78 ALA A C 1 +ATOM 562 O O . ALA A 1 78 ? 63.457 32.095 26.456 1.00 18.91 ? 78 ALA A O 1 +ATOM 563 C CB . ALA A 1 78 ? 62.460 32.284 23.901 1.00 22.16 ? 78 ALA A CB 1 +ATOM 564 N N . GLY A 1 79 ? 63.274 29.905 26.629 1.00 21.65 ? 79 GLY A N 1 +ATOM 565 C CA . GLY A 1 79 ? 63.685 30.073 27.998 1.00 22.60 ? 79 GLY A CA 1 +ATOM 566 C C . GLY A 1 79 ? 62.484 30.231 28.920 1.00 22.93 ? 79 GLY A C 1 +ATOM 567 O O . GLY A 1 79 ? 61.333 30.526 28.519 1.00 18.28 ? 79 GLY A O 1 +ATOM 568 N N . PRO A 1 80 ? 62.791 29.999 30.196 1.00 20.86 ? 80 PRO A N 1 +ATOM 569 C CA . PRO A 1 80 ? 61.857 30.014 31.312 1.00 15.37 ? 80 PRO A CA 1 +ATOM 570 C C . PRO A 1 80 ? 61.149 31.319 31.519 1.00 19.57 ? 80 PRO A C 1 +ATOM 571 O O . PRO A 1 80 ? 60.056 31.362 32.152 1.00 19.56 ? 80 PRO A O 1 +ATOM 572 C CB . PRO A 1 80 ? 62.659 29.627 32.562 1.00 20.20 ? 80 PRO A CB 1 +ATOM 573 C CG . PRO A 1 80 ? 64.097 29.459 32.088 1.00 29.53 ? 80 PRO A CG 1 +ATOM 574 C CD . PRO A 1 80 ? 64.157 29.628 30.578 1.00 19.77 ? 80 PRO A CD 1 +ATOM 575 N N . THR A 1 81 ? 61.787 32.393 31.009 1.00 17.91 ? 81 THR A N 1 +ATOM 576 C CA . THR A 1 81 ? 61.155 33.710 31.169 1.00 22.92 ? 81 THR A CA 1 +ATOM 577 C C . THR A 1 81 ? 59.936 33.826 30.250 1.00 21.31 ? 81 THR A C 1 +ATOM 578 O O . THR A 1 81 ? 59.040 34.646 30.455 1.00 23.00 ? 81 THR A O 1 +ATOM 579 C CB . THR A 1 81 ? 62.170 34.852 30.941 1.00 21.24 ? 81 THR A CB 1 +ATOM 580 O OG1 . THR A 1 81 ? 62.684 34.674 29.660 1.00 24.01 ? 81 THR A OG1 1 +ATOM 581 C CG2 . THR A 1 81 ? 63.319 34.748 31.964 1.00 18.41 ? 81 THR A CG2 1 +ATOM 582 N N . THR A 1 82 ? 59.878 32.939 29.266 1.00 13.28 ? 82 THR A N 1 +ATOM 583 C CA . THR A 1 82 ? 58.772 32.951 28.316 1.00 11.41 ? 82 THR A CA 1 +ATOM 584 C C . THR A 1 82 ? 57.596 32.075 28.645 1.00 14.33 ? 82 THR A C 1 +ATOM 585 O O . THR A 1 82 ? 56.745 31.832 27.785 1.00 21.81 ? 82 THR A O 1 +ATOM 586 C CB . THR A 1 82 ? 59.257 32.758 26.866 1.00 21.05 ? 82 THR A CB 1 +ATOM 587 O OG1 . THR A 1 82 ? 59.846 31.478 26.670 1.00 28.12 ? 82 THR A OG1 1 +ATOM 588 C CG2 . THR A 1 82 ? 60.292 33.860 26.579 1.00 18.34 ? 82 THR A CG2 1 +ATOM 589 N N . ARG A 1 83 ? 57.548 31.521 29.846 1.00 15.89 ? 83 ARG A N 1 +ATOM 590 C CA . ARG A 1 83 ? 56.431 30.670 30.191 1.00 12.27 ? 83 ARG A CA 1 +ATOM 591 C C . ARG A 1 83 ? 55.233 31.587 30.449 1.00 21.79 ? 83 ARG A C 1 +ATOM 592 O O . ARG A 1 83 ? 55.308 32.435 31.294 1.00 20.54 ? 83 ARG A O 1 +ATOM 593 C CB . ARG A 1 83 ? 56.724 29.871 31.453 1.00 24.14 ? 83 ARG A CB 1 +ATOM 594 C CG . ARG A 1 83 ? 57.952 28.982 31.307 1.00 20.69 ? 83 ARG A CG 1 +ATOM 595 C CD . ARG A 1 83 ? 58.429 28.356 32.633 1.00 16.08 ? 83 ARG A CD 1 +ATOM 596 N NE . ARG A 1 83 ? 57.540 27.334 33.146 1.00 10.62 ? 83 ARG A NE 1 +ATOM 597 C CZ . ARG A 1 83 ? 56.822 27.494 34.267 1.00 36.52 ? 83 ARG A CZ 1 +ATOM 598 N NH1 . ARG A 1 83 ? 56.858 28.577 35.015 1.00 24.23 ? 83 ARG A NH1 1 +ATOM 599 N NH2 . ARG A 1 83 ? 56.034 26.521 34.678 1.00 16.29 ? 83 ARG A NH2 1 +ATOM 600 N N . THR A 1 84 ? 54.143 31.467 29.722 1.00 20.48 ? 84 THR A N 1 +ATOM 601 C CA . THR A 1 84 ? 53.058 32.372 29.986 1.00 22.65 ? 84 THR A CA 1 +ATOM 602 C C . THR A 1 84 ? 52.324 31.947 31.226 1.00 20.40 ? 84 THR A C 1 +ATOM 603 O O . THR A 1 84 ? 52.447 30.821 31.730 1.00 37.53 ? 84 THR A O 1 +ATOM 604 C CB . THR A 1 84 ? 52.087 32.386 28.791 1.00 39.39 ? 84 THR A CB 1 +ATOM 605 O OG1 . THR A 1 84 ? 51.566 31.080 28.640 1.00 23.27 ? 84 THR A OG1 1 +ATOM 606 C CG2 . THR A 1 84 ? 52.838 32.787 27.528 1.00 28.28 ? 84 THR A CG2 1 +ATOM 607 N N . PRO A 1 85 ? 51.490 32.850 31.671 1.00 30.71 ? 85 PRO A N 1 +ATOM 608 C CA . PRO A 1 85 ? 50.659 32.742 32.889 1.00 28.03 ? 85 PRO A CA 1 +ATOM 609 C C . PRO A 1 85 ? 49.317 32.054 32.661 1.00 19.65 ? 85 PRO A C 1 +ATOM 610 O O . PRO A 1 85 ? 48.857 31.916 31.521 1.00 23.28 ? 85 PRO A O 1 +ATOM 611 C CB . PRO A 1 85 ? 50.386 34.183 33.294 1.00 32.25 ? 85 PRO A CB 1 +ATOM 612 C CG . PRO A 1 85 ? 50.769 35.071 32.086 1.00 37.43 ? 85 PRO A CG 1 +ATOM 613 C CD . PRO A 1 85 ? 51.551 34.212 31.098 1.00 24.56 ? 85 PRO A CD 1 +ATOM 614 N N . GLU A 1 86 ? 48.707 31.592 33.748 1.00 17.35 ? 86 GLU A N 1 +ATOM 615 C CA . GLU A 1 86 ? 47.451 30.919 33.644 1.00 18.51 ? 86 GLU A CA 1 +ATOM 616 C C . GLU A 1 86 ? 46.430 31.881 33.137 1.00 26.06 ? 86 GLU A C 1 +ATOM 617 O O . GLU A 1 86 ? 46.684 33.075 33.012 1.00 23.61 ? 86 GLU A O 1 +ATOM 618 C CB . GLU A 1 86 ? 46.985 30.236 34.932 1.00 20.87 ? 86 GLU A CB 1 +ATOM 619 C CG . GLU A 1 86 ? 46.738 31.247 36.103 1.00 27.16 ? 86 GLU A CG 1 +ATOM 620 C CD . GLU A 1 86 ? 46.229 30.535 37.351 1.00 32.34 ? 86 GLU A CD 1 +ATOM 621 O OE1 . GLU A 1 86 ? 45.373 29.668 37.330 1.00 46.46 ? 86 GLU A OE1 1 +ATOM 622 O OE2 . GLU A 1 86 ? 46.832 30.916 38.445 1.00 87.72 ? 86 GLU A OE2 1 +ATOM 623 N N . VAL A 1 87 ? 45.284 31.311 32.834 1.00 17.74 ? 87 VAL A N 1 +ATOM 624 C CA . VAL A 1 87 ? 44.199 32.072 32.277 1.00 31.42 ? 87 VAL A CA 1 +ATOM 625 C C . VAL A 1 87 ? 43.293 32.488 33.388 1.00 30.86 ? 87 VAL A C 1 +ATOM 626 O O . VAL A 1 87 ? 43.040 31.664 34.276 1.00 22.36 ? 87 VAL A O 1 +ATOM 627 C CB . VAL A 1 87 ? 43.392 31.236 31.280 1.00 21.97 ? 87 VAL A CB 1 +ATOM 628 C CG1 . VAL A 1 87 ? 42.035 31.852 31.145 1.00 30.72 ? 87 VAL A CG1 1 +ATOM 629 C CG2 . VAL A 1 87 ? 44.053 31.153 29.926 1.00 19.05 ? 87 VAL A CG2 1 +ATOM 630 N N . ALA A 1 88 ? 42.793 33.735 33.301 1.00 33.21 ? 88 ALA A N 1 +ATOM 631 C CA . ALA A 1 88 ? 41.859 34.217 34.305 1.00 31.90 ? 88 ALA A CA 1 +ATOM 632 C C . ALA A 1 88 ? 40.447 34.153 33.829 1.00 26.62 ? 88 ALA A C 1 +ATOM 633 O O . ALA A 1 88 ? 40.105 34.565 32.719 1.00 28.63 ? 88 ALA A O 1 +ATOM 634 C CB . ALA A 1 88 ? 42.117 35.561 34.977 1.00 30.93 ? 88 ALA A CB 1 +ATOM 635 N N . LEU A 1 89 ? 39.636 33.662 34.742 1.00 15.13 ? 89 LEU A N 1 +ATOM 636 C CA . LEU A 1 89 ? 38.247 33.525 34.452 1.00 19.86 ? 89 LEU A CA 1 +ATOM 637 C C . LEU A 1 89 ? 37.696 34.697 33.658 1.00 27.40 ? 89 LEU A C 1 +ATOM 638 O O . LEU A 1 89 ? 37.280 34.561 32.500 1.00 29.03 ? 89 LEU A O 1 +ATOM 639 C CB . LEU A 1 89 ? 37.447 33.290 35.749 1.00 16.73 ? 89 LEU A CB 1 +ATOM 640 C CG . LEU A 1 89 ? 35.956 33.451 35.553 1.00 14.57 ? 89 LEU A CG 1 +ATOM 641 C CD1 . LEU A 1 89 ? 35.366 32.175 34.946 1.00 22.57 ? 89 LEU A CD1 1 +ATOM 642 C CD2 . LEU A 1 89 ? 35.344 33.687 36.909 1.00 26.18 ? 89 LEU A CD2 1 +ATOM 643 N N . SER A 1 90 ? 37.687 35.863 34.299 1.00 25.86 ? 90 SER A N 1 +ATOM 644 C CA . SER A 1 90 ? 37.150 37.054 33.698 1.00 22.83 ? 90 SER A CA 1 +ATOM 645 C C . SER A 1 90 ? 37.613 37.287 32.243 1.00 31.64 ? 90 SER A C 1 +ATOM 646 O O . SER A 1 90 ? 36.916 37.794 31.348 1.00 26.17 ? 90 SER A O 1 +ATOM 647 C CB . SER A 1 90 ? 37.421 38.220 34.620 1.00 26.32 ? 90 SER A CB 1 +ATOM 648 O OG . SER A 1 90 ? 38.662 38.782 34.241 1.00 34.26 ? 90 SER A OG 1 +ATOM 649 N N . ARG A 1 91 ? 38.824 36.871 31.986 1.00 19.21 ? 91 ARG A N 1 +ATOM 650 C CA . ARG A 1 91 ? 39.362 37.031 30.660 1.00 20.65 ? 91 ARG A CA 1 +ATOM 651 C C . ARG A 1 91 ? 38.543 36.289 29.622 1.00 31.83 ? 91 ARG A C 1 +ATOM 652 O O . ARG A 1 91 ? 38.346 36.699 28.466 1.00 31.96 ? 91 ARG A O 1 +ATOM 653 C CB . ARG A 1 91 ? 40.820 36.597 30.595 1.00 18.28 ? 91 ARG A CB 1 +ATOM 654 C CG . ARG A 1 91 ? 41.769 37.666 31.119 1.00 53.18 ? 91 ARG A CG 1 +ATOM 655 C CD . ARG A 1 91 ? 42.677 38.274 30.043 1.00 39.80 ? 91 ARG A CD 1 +ATOM 656 N NE . ARG A 1 91 ? 43.707 39.114 30.626 1.00 100.00 ? 91 ARG A NE 1 +ATOM 657 C CZ . ARG A 1 91 ? 45.016 38.849 30.596 1.00 100.00 ? 91 ARG A CZ 1 +ATOM 658 N NH1 . ARG A 1 91 ? 45.521 37.752 29.972 1.00 100.00 ? 91 ARG A NH1 1 +ATOM 659 N NH2 . ARG A 1 91 ? 45.867 39.716 31.196 1.00 100.00 ? 91 ARG A NH2 1 +ATOM 660 N N . LEU A 1 92 ? 38.088 35.143 30.067 1.00 23.63 ? 92 LEU A N 1 +ATOM 661 C CA . LEU A 1 92 ? 37.322 34.279 29.212 1.00 14.86 ? 92 LEU A CA 1 +ATOM 662 C C . LEU A 1 92 ? 35.919 34.794 28.954 1.00 20.27 ? 92 LEU A C 1 +ATOM 663 O O . LEU A 1 92 ? 35.518 34.990 27.823 1.00 21.55 ? 92 LEU A O 1 +ATOM 664 C CB . LEU A 1 92 ? 37.342 32.893 29.865 1.00 10.03 ? 92 LEU A CB 1 +ATOM 665 C CG . LEU A 1 92 ? 38.707 32.225 29.697 1.00 12.55 ? 92 LEU A CG 1 +ATOM 666 C CD1 . LEU A 1 92 ? 38.772 31.052 30.652 1.00 21.04 ? 92 LEU A CD1 1 +ATOM 667 C CD2 . LEU A 1 92 ? 38.877 31.687 28.264 1.00 27.26 ? 92 LEU A CD2 1 +ATOM 668 N N . THR A 1 93 ? 35.208 34.984 30.050 1.00 25.00 ? 93 THR A N 1 +ATOM 669 C CA . THR A 1 93 ? 33.857 35.449 30.025 1.00 26.97 ? 93 THR A CA 1 +ATOM 670 C C . THR A 1 93 ? 33.733 36.738 29.239 1.00 34.11 ? 93 THR A C 1 +ATOM 671 O O . THR A 1 93 ? 32.921 36.804 28.310 1.00 30.91 ? 93 THR A O 1 +ATOM 672 C CB . THR A 1 93 ? 33.268 35.566 31.437 1.00 27.91 ? 93 THR A CB 1 +ATOM 673 O OG1 . THR A 1 93 ? 34.067 36.426 32.226 1.00 21.46 ? 93 THR A OG1 1 +ATOM 674 C CG2 . THR A 1 93 ? 33.248 34.181 32.059 1.00 21.23 ? 93 THR A CG2 1 +ATOM 675 N N . GLU A 1 94 ? 34.554 37.735 29.606 1.00 20.89 ? 94 GLU A N 1 +ATOM 676 C CA . GLU A 1 94 ? 34.545 38.997 28.899 1.00 21.88 ? 94 GLU A CA 1 +ATOM 677 C C . GLU A 1 94 ? 34.677 38.800 27.406 1.00 22.39 ? 94 GLU A C 1 +ATOM 678 O O . GLU A 1 94 ? 34.105 39.549 26.629 1.00 25.86 ? 94 GLU A O 1 +ATOM 679 C CB . GLU A 1 94 ? 35.551 40.025 29.392 1.00 24.69 ? 94 GLU A CB 1 +ATOM 680 C CG . GLU A 1 94 ? 35.077 40.772 30.643 1.00 18.06 ? 94 GLU A CG 1 +ATOM 681 C CD . GLU A 1 94 ? 36.199 41.652 31.177 1.00 32.53 ? 94 GLU A CD 1 +ATOM 682 O OE1 . GLU A 1 94 ? 37.338 41.600 30.725 1.00 44.71 ? 94 GLU A OE1 1 +ATOM 683 O OE2 . GLU A 1 94 ? 35.841 42.468 32.155 1.00 63.27 ? 94 GLU A OE2 1 +ATOM 684 N N . ALA A 1 95 ? 35.423 37.786 26.984 1.00 20.39 ? 95 ALA A N 1 +ATOM 685 C CA . ALA A 1 95 ? 35.565 37.516 25.564 1.00 24.23 ? 95 ALA A CA 1 +ATOM 686 C C . ALA A 1 95 ? 34.404 36.689 24.967 1.00 25.33 ? 95 ALA A C 1 +ATOM 687 O O . ALA A 1 95 ? 34.407 36.311 23.782 1.00 25.91 ? 95 ALA A O 1 +ATOM 688 C CB . ALA A 1 95 ? 36.849 36.762 25.334 1.00 32.09 ? 95 ALA A CB 1 +ATOM 689 N N . GLY A 1 96 ? 33.381 36.396 25.760 1.00 17.28 ? 96 GLY A N 1 +ATOM 690 C CA . GLY A 1 96 ? 32.248 35.613 25.278 1.00 27.19 ? 96 GLY A CA 1 +ATOM 691 C C . GLY A 1 96 ? 32.412 34.106 25.419 1.00 28.06 ? 96 GLY A C 1 +ATOM 692 O O . GLY A 1 96 ? 31.567 33.323 24.968 1.00 27.36 ? 96 GLY A O 1 +ATOM 693 N N . VAL A 1 97 ? 33.501 33.687 26.047 1.00 20.67 ? 97 VAL A N 1 +ATOM 694 C CA . VAL A 1 97 ? 33.754 32.270 26.244 1.00 14.98 ? 97 VAL A CA 1 +ATOM 695 C C . VAL A 1 97 ? 33.053 31.740 27.461 1.00 21.56 ? 97 VAL A C 1 +ATOM 696 O O . VAL A 1 97 ? 33.251 32.244 28.545 1.00 26.79 ? 97 VAL A O 1 +ATOM 697 C CB . VAL A 1 97 ? 35.251 31.961 26.253 1.00 13.39 ? 97 VAL A CB 1 +ATOM 698 C CG1 . VAL A 1 97 ? 35.476 30.465 26.181 1.00 12.11 ? 97 VAL A CG1 1 +ATOM 699 C CG2 . VAL A 1 97 ? 35.858 32.589 25.013 1.00 13.81 ? 97 VAL A CG2 1 +ATOM 700 N N . THR A 1 98 ? 32.223 30.731 27.256 1.00 21.12 ? 98 THR A N 1 +ATOM 701 C CA . THR A 1 98 ? 31.462 30.075 28.314 1.00 14.14 ? 98 THR A CA 1 +ATOM 702 C C . THR A 1 98 ? 31.815 28.597 28.459 1.00 9.30 ? 98 THR A C 1 +ATOM 703 O O . THR A 1 98 ? 31.483 27.934 29.459 1.00 22.17 ? 98 THR A O 1 +ATOM 704 C CB . THR A 1 98 ? 29.920 30.258 28.173 1.00 37.96 ? 98 THR A CB 1 +ATOM 705 O OG1 . THR A 1 98 ? 29.461 29.807 26.907 1.00 22.25 ? 98 THR A OG1 1 +ATOM 706 C CG2 . THR A 1 98 ? 29.516 31.707 28.399 1.00 17.53 ? 98 THR A CG2 1 +ATOM 707 N N . SER A 1 99 ? 32.473 28.088 27.422 1.00 17.52 ? 99 SER A N 1 +ATOM 708 C CA . SER A 1 99 ? 32.885 26.712 27.346 1.00 18.94 ? 99 SER A CA 1 +ATOM 709 C C . SER A 1 99 ? 34.274 26.705 26.796 1.00 10.60 ? 99 SER A C 1 +ATOM 710 O O . SER A 1 99 ? 34.536 27.350 25.807 1.00 16.54 ? 99 SER A O 1 +ATOM 711 C CB . SER A 1 99 ? 31.965 25.854 26.448 1.00 24.56 ? 99 SER A CB 1 +ATOM 712 O OG . SER A 1 99 ? 30.868 25.297 27.181 1.00 15.99 ? 99 SER A OG 1 +ATOM 713 N N . VAL A 1 100 ? 35.169 25.945 27.438 1.00 25.77 ? 100 VAL A N 1 +ATOM 714 C CA . VAL A 1 100 ? 36.539 25.871 26.997 1.00 20.03 ? 100 VAL A CA 1 +ATOM 715 C C . VAL A 1 100 ? 37.182 24.452 27.031 1.00 28.68 ? 100 VAL A C 1 +ATOM 716 O O . VAL A 1 100 ? 36.805 23.562 27.822 1.00 25.87 ? 100 VAL A O 1 +ATOM 717 C CB . VAL A 1 100 ? 37.334 26.982 27.693 1.00 21.89 ? 100 VAL A CB 1 +ATOM 718 C CG1 . VAL A 1 100 ? 37.463 26.760 29.210 1.00 17.08 ? 100 VAL A CG1 1 +ATOM 719 C CG2 . VAL A 1 100 ? 38.685 27.136 27.043 1.00 31.98 ? 100 VAL A CG2 1 +ATOM 720 N N . VAL A 1 101 ? 38.162 24.230 26.120 1.00 21.07 ? 101 VAL A N 1 +ATOM 721 C CA . VAL A 1 101 ? 38.914 23.007 26.066 1.00 8.33 ? 101 VAL A CA 1 +ATOM 722 C C . VAL A 1 101 ? 40.370 23.335 26.319 1.00 10.13 ? 101 VAL A C 1 +ATOM 723 O O . VAL A 1 101 ? 41.012 23.940 25.481 1.00 25.64 ? 101 VAL A O 1 +ATOM 724 C CB . VAL A 1 101 ? 38.751 22.086 24.878 1.00 11.18 ? 101 VAL A CB 1 +ATOM 725 C CG1 . VAL A 1 101 ? 39.853 20.994 25.014 1.00 9.93 ? 101 VAL A CG1 1 +ATOM 726 C CG2 . VAL A 1 101 ? 37.367 21.419 24.959 1.00 9.84 ? 101 VAL A CG2 1 +ATOM 727 N N . GLY A 1 102 ? 40.910 22.924 27.469 1.00 19.10 ? 102 GLY A N 1 +ATOM 728 C CA . GLY A 1 102 ? 42.298 23.229 27.838 1.00 13.83 ? 102 GLY A CA 1 +ATOM 729 C C . GLY A 1 102 ? 43.255 22.190 27.349 1.00 19.32 ? 102 GLY A C 1 +ATOM 730 O O . GLY A 1 102 ? 42.890 20.996 27.258 1.00 19.95 ? 102 GLY A O 1 +ATOM 731 N N . LEU A 1 103 ? 44.470 22.663 27.027 1.00 15.85 ? 103 LEU A N 1 +ATOM 732 C CA . LEU A 1 103 ? 45.519 21.777 26.543 1.00 14.35 ? 103 LEU A CA 1 +ATOM 733 C C . LEU A 1 103 ? 46.889 22.346 26.823 1.00 12.61 ? 103 LEU A C 1 +ATOM 734 O O . LEU A 1 103 ? 47.009 23.487 27.261 1.00 22.77 ? 103 LEU A O 1 +ATOM 735 C CB . LEU A 1 103 ? 45.408 21.437 25.036 1.00 19.32 ? 103 LEU A CB 1 +ATOM 736 C CG . LEU A 1 103 ? 45.160 22.668 24.145 1.00 19.38 ? 103 LEU A CG 1 +ATOM 737 C CD1 . LEU A 1 103 ? 46.402 23.533 24.000 1.00 26.92 ? 103 LEU A CD1 1 +ATOM 738 C CD2 . LEU A 1 103 ? 44.774 22.127 22.795 1.00 11.97 ? 103 LEU A CD2 1 +ATOM 739 N N . LEU A 1 104 ? 47.888 21.518 26.546 1.00 21.83 ? 104 LEU A N 1 +ATOM 740 C CA . LEU A 1 104 ? 49.310 21.793 26.720 1.00 23.41 ? 104 LEU A CA 1 +ATOM 741 C C . LEU A 1 104 ? 49.987 21.930 25.369 1.00 15.71 ? 104 LEU A C 1 +ATOM 742 O O . LEU A 1 104 ? 49.418 21.551 24.357 1.00 17.24 ? 104 LEU A O 1 +ATOM 743 C CB . LEU A 1 104 ? 50.040 20.725 27.576 1.00 12.74 ? 104 LEU A CB 1 +ATOM 744 C CG . LEU A 1 104 ? 49.493 20.555 29.007 1.00 16.88 ? 104 LEU A CG 1 +ATOM 745 C CD1 . LEU A 1 104 ? 50.286 19.456 29.743 1.00 17.67 ? 104 LEU A CD1 1 +ATOM 746 C CD2 . LEU A 1 104 ? 49.596 21.856 29.784 1.00 11.93 ? 104 LEU A CD2 1 +ATOM 747 N N . GLY A 1 105 ? 51.197 22.449 25.331 1.00 17.96 ? 105 GLY A N 1 +ATOM 748 C CA . GLY A 1 105 ? 51.796 22.589 24.049 1.00 16.86 ? 105 GLY A CA 1 +ATOM 749 C C . GLY A 1 105 ? 53.165 22.084 23.956 1.00 8.36 ? 105 GLY A C 1 +ATOM 750 O O . GLY A 1 105 ? 53.435 20.909 24.185 1.00 19.56 ? 105 GLY A O 1 +ATOM 751 N N . THR A 1 106 ? 54.056 23.003 23.602 1.00 18.57 ? 106 THR A N 1 +ATOM 752 C CA . THR A 1 106 ? 55.429 22.627 23.451 1.00 17.24 ? 106 THR A CA 1 +ATOM 753 C C . THR A 1 106 ? 56.034 22.019 24.714 1.00 26.73 ? 106 THR A C 1 +ATOM 754 O O . THR A 1 106 ? 56.630 20.949 24.705 1.00 27.01 ? 106 THR A O 1 +ATOM 755 C CB . THR A 1 106 ? 56.277 23.837 23.061 1.00 40.76 ? 106 THR A CB 1 +ATOM 756 O OG1 . THR A 1 106 ? 55.615 24.479 22.022 1.00 27.84 ? 106 THR A OG1 1 +ATOM 757 C CG2 . THR A 1 106 ? 57.660 23.388 22.610 1.00 27.28 ? 106 THR A CG2 1 +ATOM 758 N N . ASP A 1 107 ? 55.898 22.740 25.797 1.00 20.85 ? 107 ASP A N 1 +ATOM 759 C CA . ASP A 1 107 ? 56.503 22.334 27.044 1.00 15.49 ? 107 ASP A CA 1 +ATOM 760 C C . ASP A 1 107 ? 55.649 21.450 27.887 1.00 31.19 ? 107 ASP A C 1 +ATOM 761 O O . ASP A 1 107 ? 54.638 21.855 28.446 1.00 29.25 ? 107 ASP A O 1 +ATOM 762 C CB . ASP A 1 107 ? 56.838 23.585 27.881 1.00 8.05 ? 107 ASP A CB 1 +ATOM 763 C CG . ASP A 1 107 ? 57.396 23.299 29.257 1.00 27.75 ? 107 ASP A CG 1 +ATOM 764 O OD1 . ASP A 1 107 ? 57.679 22.203 29.691 1.00 21.52 ? 107 ASP A OD1 1 +ATOM 765 O OD2 . ASP A 1 107 ? 57.566 24.391 29.929 1.00 23.73 ? 107 ASP A OD2 1 +ATOM 766 N N . SER A 1 108 ? 56.122 20.229 27.991 1.00 15.70 ? 108 SER A N 1 +ATOM 767 C CA . SER A 1 108 ? 55.501 19.241 28.831 1.00 21.49 ? 108 SER A CA 1 +ATOM 768 C C . SER A 1 108 ? 56.528 18.794 29.870 1.00 11.46 ? 108 SER A C 1 +ATOM 769 O O . SER A 1 108 ? 56.509 17.667 30.284 1.00 20.71 ? 108 SER A O 1 +ATOM 770 C CB . SER A 1 108 ? 54.852 18.021 28.117 1.00 14.06 ? 108 SER A CB 1 +ATOM 771 O OG . SER A 1 108 ? 55.742 17.445 27.170 1.00 31.60 ? 108 SER A OG 1 +ATOM 772 N N . ILE A 1 109 ? 57.389 19.691 30.291 1.00 21.69 ? 109 ILE A N 1 +ATOM 773 C CA . ILE A 1 109 ? 58.395 19.397 31.311 1.00 21.63 ? 109 ILE A CA 1 +ATOM 774 C C . ILE A 1 109 ? 58.128 20.224 32.552 1.00 21.47 ? 109 ILE A C 1 +ATOM 775 O O . ILE A 1 109 ? 58.258 19.754 33.676 1.00 17.38 ? 109 ILE A O 1 +ATOM 776 C CB . ILE A 1 109 ? 59.812 19.635 30.798 1.00 20.08 ? 109 ILE A CB 1 +ATOM 777 C CG1 . ILE A 1 109 ? 60.030 18.762 29.543 1.00 30.69 ? 109 ILE A CG1 1 +ATOM 778 C CG2 . ILE A 1 109 ? 60.781 19.385 31.945 1.00 9.30 ? 109 ILE A CG2 1 +ATOM 779 C CD1 . ILE A 1 109 ? 60.939 17.534 29.648 1.00 31.42 ? 109 ILE A CD1 1 +ATOM 780 N N . SER A 1 110 ? 57.743 21.476 32.323 1.00 9.75 ? 110 SER A N 1 +ATOM 781 C CA . SER A 1 110 ? 57.438 22.347 33.418 1.00 17.47 ? 110 SER A CA 1 +ATOM 782 C C . SER A 1 110 ? 55.952 22.440 33.585 1.00 19.57 ? 110 SER A C 1 +ATOM 783 O O . SER A 1 110 ? 55.488 23.070 34.521 1.00 25.75 ? 110 SER A O 1 +ATOM 784 C CB . SER A 1 110 ? 58.057 23.732 33.331 1.00 16.82 ? 110 SER A CB 1 +ATOM 785 O OG . SER A 1 110 ? 57.278 24.617 32.511 1.00 21.93 ? 110 SER A OG 1 +ATOM 786 N N . ARG A 1 111 ? 55.245 21.792 32.642 1.00 16.63 ? 111 ARG A N 1 +ATOM 787 C CA . ARG A 1 111 ? 53.788 21.757 32.590 1.00 23.98 ? 111 ARG A CA 1 +ATOM 788 C C . ARG A 1 111 ? 53.300 20.319 32.652 1.00 22.92 ? 111 ARG A C 1 +ATOM 789 O O . ARG A 1 111 ? 53.875 19.437 32.033 1.00 19.83 ? 111 ARG A O 1 +ATOM 790 C CB . ARG A 1 111 ? 53.229 22.499 31.387 1.00 18.38 ? 111 ARG A CB 1 +ATOM 791 C CG . ARG A 1 111 ? 53.864 23.870 31.160 1.00 22.58 ? 111 ARG A CG 1 +ATOM 792 C CD . ARG A 1 111 ? 53.301 24.959 32.050 1.00 10.00 ? 111 ARG A CD 1 +ATOM 793 N NE . ARG A 1 111 ? 53.627 26.291 31.545 1.00 29.07 ? 111 ARG A NE 1 +ATOM 794 C CZ . ARG A 1 111 ? 53.320 27.426 32.190 1.00 18.46 ? 111 ARG A CZ 1 +ATOM 795 N NH1 . ARG A 1 111 ? 52.706 27.428 33.361 1.00 18.26 ? 111 ARG A NH1 1 +ATOM 796 N NH2 . ARG A 1 111 ? 53.674 28.593 31.673 1.00 26.94 ? 111 ARG A NH2 1 +ATOM 797 N N . HIS A 1 112 ? 52.252 20.096 33.448 1.00 26.47 ? 112 HIS A N 1 +ATOM 798 C CA . HIS A 1 112 ? 51.732 18.768 33.671 1.00 18.13 ? 112 HIS A CA 1 +ATOM 799 C C . HIS A 1 112 ? 50.218 18.688 33.562 1.00 19.23 ? 112 HIS A C 1 +ATOM 800 O O . HIS A 1 112 ? 49.465 19.608 33.898 1.00 19.55 ? 112 HIS A O 1 +ATOM 801 C CB . HIS A 1 112 ? 52.216 18.262 35.059 1.00 9.36 ? 112 HIS A CB 1 +ATOM 802 C CG . HIS A 1 112 ? 53.674 18.586 35.302 1.00 15.77 ? 112 HIS A CG 1 +ATOM 803 N ND1 . HIS A 1 112 ? 54.648 17.580 35.455 1.00 20.04 ? 112 HIS A ND1 1 +ATOM 804 C CD2 . HIS A 1 112 ? 54.319 19.790 35.409 1.00 17.93 ? 112 HIS A CD2 1 +ATOM 805 C CE1 . HIS A 1 112 ? 55.836 18.170 35.612 1.00 17.61 ? 112 HIS A CE1 1 +ATOM 806 N NE2 . HIS A 1 112 ? 55.677 19.510 35.558 1.00 24.99 ? 112 HIS A NE2 1 +ATOM 807 N N . PRO A 1 113 ? 49.764 17.544 33.083 1.00 16.53 ? 113 PRO A N 1 +ATOM 808 C CA . PRO A 1 113 ? 48.348 17.322 32.911 1.00 13.80 ? 113 PRO A CA 1 +ATOM 809 C C . PRO A 1 113 ? 47.588 17.393 34.224 1.00 18.67 ? 113 PRO A C 1 +ATOM 810 O O . PRO A 1 113 ? 46.451 17.801 34.255 1.00 24.87 ? 113 PRO A O 1 +ATOM 811 C CB . PRO A 1 113 ? 48.198 15.964 32.226 1.00 15.22 ? 113 PRO A CB 1 +ATOM 812 C CG . PRO A 1 113 ? 49.586 15.472 31.874 1.00 18.38 ? 113 PRO A CG 1 +ATOM 813 C CD . PRO A 1 113 ? 50.577 16.425 32.511 1.00 13.94 ? 113 PRO A CD 1 +ATOM 814 N N . GLU A 1 114 ? 48.235 17.016 35.317 1.00 12.93 ? 114 GLU A N 1 +ATOM 815 C CA . GLU A 1 114 ? 47.581 17.101 36.584 1.00 18.86 ? 114 GLU A CA 1 +ATOM 816 C C . GLU A 1 114 ? 47.310 18.531 36.901 1.00 14.08 ? 114 GLU A C 1 +ATOM 817 O O . GLU A 1 114 ? 46.291 18.835 37.486 1.00 13.65 ? 114 GLU A O 1 +ATOM 818 C CB . GLU A 1 114 ? 48.411 16.502 37.720 1.00 23.88 ? 114 GLU A CB 1 +ATOM 819 C CG . GLU A 1 114 ? 48.637 14.986 37.548 1.00 6.56 ? 114 GLU A CG 1 +ATOM 820 C CD . GLU A 1 114 ? 49.709 14.675 36.558 1.00 33.07 ? 114 GLU A CD 1 +ATOM 821 O OE1 . GLU A 1 114 ? 50.297 15.536 35.907 1.00 22.73 ? 114 GLU A OE1 1 +ATOM 822 O OE2 . GLU A 1 114 ? 49.933 13.367 36.541 1.00 39.37 ? 114 GLU A OE2 1 +ATOM 823 N N . SER A 1 115 ? 48.222 19.409 36.514 1.00 17.19 ? 115 SER A N 1 +ATOM 824 C CA . SER A 1 115 ? 47.999 20.818 36.806 1.00 10.65 ? 115 SER A CA 1 +ATOM 825 C C . SER A 1 115 ? 46.816 21.300 35.979 1.00 9.72 ? 115 SER A C 1 +ATOM 826 O O . SER A 1 115 ? 45.877 21.955 36.435 1.00 14.75 ? 115 SER A O 1 +ATOM 827 C CB . SER A 1 115 ? 49.254 21.613 36.514 1.00 21.13 ? 115 SER A CB 1 +ATOM 828 O OG . SER A 1 115 ? 50.390 21.002 37.118 1.00 17.77 ? 115 SER A OG 1 +ATOM 829 N N . LEU A 1 116 ? 46.854 20.908 34.703 1.00 14.37 ? 116 LEU A N 1 +ATOM 830 C CA . LEU A 1 116 ? 45.825 21.293 33.778 1.00 11.87 ? 116 LEU A CA 1 +ATOM 831 C C . LEU A 1 116 ? 44.473 20.793 34.274 1.00 20.29 ? 116 LEU A C 1 +ATOM 832 O O . LEU A 1 116 ? 43.433 21.482 34.220 1.00 11.15 ? 116 LEU A O 1 +ATOM 833 C CB . LEU A 1 116 ? 46.240 20.896 32.330 1.00 13.82 ? 116 LEU A CB 1 +ATOM 834 C CG . LEU A 1 116 ? 45.227 21.240 31.219 1.00 13.04 ? 116 LEU A CG 1 +ATOM 835 C CD1 . LEU A 1 116 ? 45.029 22.732 31.070 1.00 17.59 ? 116 LEU A CD1 1 +ATOM 836 C CD2 . LEU A 1 116 ? 45.667 20.655 29.882 1.00 20.59 ? 116 LEU A CD2 1 +ATOM 837 N N . LEU A 1 117 ? 44.479 19.572 34.756 1.00 16.50 ? 117 LEU A N 1 +ATOM 838 C CA . LEU A 1 117 ? 43.271 18.973 35.234 1.00 16.36 ? 117 LEU A CA 1 +ATOM 839 C C . LEU A 1 117 ? 42.679 19.750 36.350 1.00 17.08 ? 117 LEU A C 1 +ATOM 840 O O . LEU A 1 117 ? 41.479 19.987 36.390 1.00 17.71 ? 117 LEU A O 1 +ATOM 841 C CB . LEU A 1 117 ? 43.422 17.494 35.624 1.00 17.74 ? 117 LEU A CB 1 +ATOM 842 C CG . LEU A 1 117 ? 42.160 16.949 36.312 1.00 22.06 ? 117 LEU A CG 1 +ATOM 843 C CD1 . LEU A 1 117 ? 40.934 16.886 35.405 1.00 5.07 ? 117 LEU A CD1 1 +ATOM 844 C CD2 . LEU A 1 117 ? 42.440 15.595 36.937 1.00 7.93 ? 117 LEU A CD2 1 +ATOM 845 N N . ALA A 1 118 ? 43.533 20.148 37.286 1.00 16.07 ? 118 ALA A N 1 +ATOM 846 C CA . ALA A 1 118 ? 43.030 20.931 38.396 1.00 17.08 ? 118 ALA A CA 1 +ATOM 847 C C . ALA A 1 118 ? 42.481 22.279 37.946 1.00 15.79 ? 118 ALA A C 1 +ATOM 848 O O . ALA A 1 118 ? 41.489 22.831 38.423 1.00 19.26 ? 118 ALA A O 1 +ATOM 849 C CB . ALA A 1 118 ? 44.172 21.173 39.376 1.00 18.64 ? 118 ALA A CB 1 +ATOM 850 N N . LYS A 1 119 ? 43.171 22.886 37.027 1.00 14.34 ? 119 LYS A N 1 +ATOM 851 C CA . LYS A 1 119 ? 42.729 24.204 36.622 1.00 9.65 ? 119 LYS A CA 1 +ATOM 852 C C . LYS A 1 119 ? 41.347 24.164 35.964 1.00 13.67 ? 119 LYS A C 1 +ATOM 853 O O . LYS A 1 119 ? 40.471 25.030 36.125 1.00 15.84 ? 119 LYS A O 1 +ATOM 854 C CB . LYS A 1 119 ? 43.814 24.803 35.740 1.00 21.83 ? 119 LYS A CB 1 +ATOM 855 C CG . LYS A 1 119 ? 43.351 26.096 35.092 1.00 28.04 ? 119 LYS A CG 1 +ATOM 856 C CD . LYS A 1 119 ? 43.254 27.264 36.084 1.00 21.84 ? 119 LYS A CD 1 +ATOM 857 C CE . LYS A 1 119 ? 43.007 28.613 35.385 1.00 10.52 ? 119 LYS A CE 1 +ATOM 858 N NZ . LYS A 1 119 ? 42.885 29.744 36.315 1.00 22.16 ? 119 LYS A NZ 1 +ATOM 859 N N . THR A 1 120 ? 41.161 23.109 35.202 1.00 10.68 ? 120 THR A N 1 +ATOM 860 C CA . THR A 1 120 ? 39.900 22.816 34.495 1.00 20.47 ? 120 THR A CA 1 +ATOM 861 C C . THR A 1 120 ? 38.761 22.667 35.535 1.00 16.81 ? 120 THR A C 1 +ATOM 862 O O . THR A 1 120 ? 37.649 23.204 35.429 1.00 28.85 ? 120 THR A O 1 +ATOM 863 C CB . THR A 1 120 ? 40.123 21.510 33.654 1.00 26.60 ? 120 THR A CB 1 +ATOM 864 O OG1 . THR A 1 120 ? 41.060 21.753 32.642 1.00 22.16 ? 120 THR A OG1 1 +ATOM 865 C CG2 . THR A 1 120 ? 38.877 20.977 32.996 1.00 7.72 ? 120 THR A CG2 1 +ATOM 866 N N . ARG A 1 121 ? 38.993 21.910 36.605 1.00 19.27 ? 121 ARG A N 1 +ATOM 867 C CA . ARG A 1 121 ? 37.904 21.788 37.577 1.00 20.69 ? 121 ARG A CA 1 +ATOM 868 C C . ARG A 1 121 ? 37.599 23.104 38.268 1.00 18.83 ? 121 ARG A C 1 +ATOM 869 O O . ARG A 1 121 ? 36.472 23.428 38.607 1.00 24.54 ? 121 ARG A O 1 +ATOM 870 C CB . ARG A 1 121 ? 38.279 20.760 38.623 1.00 15.27 ? 121 ARG A CB 1 +ATOM 871 C CG . ARG A 1 121 ? 38.721 19.465 37.932 1.00 29.74 ? 121 ARG A CG 1 +ATOM 872 C CD . ARG A 1 121 ? 38.700 18.236 38.853 1.00 22.75 ? 121 ARG A CD 1 +ATOM 873 N NE . ARG A 1 121 ? 38.321 16.963 38.202 1.00 36.92 ? 121 ARG A NE 1 +ATOM 874 C CZ . ARG A 1 121 ? 38.906 15.794 38.440 1.00 22.03 ? 121 ARG A CZ 1 +ATOM 875 N NH1 . ARG A 1 121 ? 39.901 15.677 39.314 1.00 21.81 ? 121 ARG A NH1 1 +ATOM 876 N NH2 . ARG A 1 121 ? 38.446 14.725 37.808 1.00 17.22 ? 121 ARG A NH2 1 +ATOM 877 N N . ALA A 1 122 ? 38.658 23.860 38.522 1.00 17.43 ? 122 ALA A N 1 +ATOM 878 C CA . ALA A 1 122 ? 38.446 25.123 39.196 1.00 16.34 ? 122 ALA A CA 1 +ATOM 879 C C . ALA A 1 122 ? 37.493 26.013 38.408 1.00 22.23 ? 122 ALA A C 1 +ATOM 880 O O . ALA A 1 122 ? 36.632 26.686 38.996 1.00 27.42 ? 122 ALA A O 1 +ATOM 881 C CB . ALA A 1 122 ? 39.767 25.843 39.476 1.00 10.21 ? 122 ALA A CB 1 +ATOM 882 N N . LEU A 1 123 ? 37.663 25.991 37.065 1.00 24.01 ? 123 LEU A N 1 +ATOM 883 C CA . LEU A 1 123 ? 36.838 26.774 36.117 1.00 16.71 ? 123 LEU A CA 1 +ATOM 884 C C . LEU A 1 123 ? 35.397 26.340 36.112 1.00 18.85 ? 123 LEU A C 1 +ATOM 885 O O . LEU A 1 123 ? 34.489 27.170 36.078 1.00 14.44 ? 123 LEU A O 1 +ATOM 886 C CB . LEU A 1 123 ? 37.426 26.811 34.718 1.00 21.64 ? 123 LEU A CB 1 +ATOM 887 C CG . LEU A 1 123 ? 38.715 27.633 34.680 1.00 18.38 ? 123 LEU A CG 1 +ATOM 888 C CD1 . LEU A 1 123 ? 39.336 27.489 33.284 1.00 12.81 ? 123 LEU A CD1 1 +ATOM 889 C CD2 . LEU A 1 123 ? 38.424 29.100 34.969 1.00 18.10 ? 123 LEU A CD2 1 +ATOM 890 N N . ASN A 1 124 ? 35.207 25.025 36.225 1.00 19.27 ? 124 ASN A N 1 +ATOM 891 C CA . ASN A 1 124 ? 33.859 24.563 36.289 1.00 21.72 ? 124 ASN A CA 1 +ATOM 892 C C . ASN A 1 124 ? 33.269 25.061 37.580 1.00 31.87 ? 124 ASN A C 1 +ATOM 893 O O . ASN A 1 124 ? 32.120 25.504 37.634 1.00 26.86 ? 124 ASN A O 1 +ATOM 894 C CB . ASN A 1 124 ? 33.792 23.035 36.302 1.00 14.00 ? 124 ASN A CB 1 +ATOM 895 C CG . ASN A 1 124 ? 34.003 22.525 34.902 1.00 35.02 ? 124 ASN A CG 1 +ATOM 896 O OD1 . ASN A 1 124 ? 33.350 22.954 33.945 1.00 40.42 ? 124 ASN A OD1 1 +ATOM 897 N ND2 . ASN A 1 124 ? 34.979 21.660 34.780 1.00 23.27 ? 124 ASN A ND2 1 +ATOM 898 N N . GLU A 1 125 ? 34.066 24.937 38.643 1.00 25.47 ? 125 GLU A N 1 +ATOM 899 C CA . GLU A 1 125 ? 33.607 25.339 39.941 1.00 14.02 ? 125 GLU A CA 1 +ATOM 900 C C . GLU A 1 125 ? 33.249 26.824 39.961 1.00 28.43 ? 125 GLU A C 1 +ATOM 901 O O . GLU A 1 125 ? 32.274 27.307 40.555 1.00 29.60 ? 125 GLU A O 1 +ATOM 902 C CB . GLU A 1 125 ? 34.710 25.038 40.966 1.00 21.34 ? 125 GLU A CB 1 +ATOM 903 C CG . GLU A 1 125 ? 34.177 24.205 42.132 1.00 55.37 ? 125 GLU A CG 1 +ATOM 904 C CD . GLU A 1 125 ? 35.273 23.836 43.073 1.00 45.87 ? 125 GLU A CD 1 +ATOM 905 O OE1 . GLU A 1 125 ? 36.092 22.972 42.827 1.00 72.58 ? 125 GLU A OE1 1 +ATOM 906 O OE2 . GLU A 1 125 ? 35.254 24.569 44.144 1.00 74.76 ? 125 GLU A OE2 1 +ATOM 907 N N . GLU A 1 126 ? 34.073 27.586 39.278 1.00 26.58 ? 126 GLU A N 1 +ATOM 908 C CA . GLU A 1 126 ? 33.821 29.008 39.226 1.00 24.62 ? 126 GLU A CA 1 +ATOM 909 C C . GLU A 1 126 ? 32.630 29.423 38.363 1.00 37.24 ? 126 GLU A C 1 +ATOM 910 O O . GLU A 1 126 ? 32.107 30.512 38.531 1.00 42.86 ? 126 GLU A O 1 +ATOM 911 C CB . GLU A 1 126 ? 35.061 29.854 38.915 1.00 16.08 ? 126 GLU A CB 1 +ATOM 912 C CG . GLU A 1 126 ? 36.057 29.912 40.078 1.00 28.94 ? 126 GLU A CG 1 +ATOM 913 C CD . GLU A 1 126 ? 37.430 30.285 39.621 1.00 53.62 ? 126 GLU A CD 1 +ATOM 914 O OE1 . GLU A 1 126 ? 37.824 30.094 38.487 1.00 33.72 ? 126 GLU A OE1 1 +ATOM 915 O OE2 . GLU A 1 126 ? 38.148 30.836 40.563 1.00 47.22 ? 126 GLU A OE2 1 +ATOM 916 N N . GLY A 1 127 ? 32.159 28.623 37.424 1.00 37.11 ? 127 GLY A N 1 +ATOM 917 C CA . GLY A 1 127 ? 31.010 29.158 36.715 1.00 39.49 ? 127 GLY A CA 1 +ATOM 918 C C . GLY A 1 127 ? 30.923 28.817 35.252 1.00 36.96 ? 127 GLY A C 1 +ATOM 919 O O . GLY A 1 127 ? 29.864 28.914 34.639 1.00 35.64 ? 127 GLY A O 1 +ATOM 920 N N . ILE A 1 128 ? 32.030 28.406 34.676 1.00 26.08 ? 128 ILE A N 1 +ATOM 921 C CA . ILE A 1 128 ? 31.941 28.065 33.266 1.00 25.71 ? 128 ILE A CA 1 +ATOM 922 C C . ILE A 1 128 ? 32.066 26.587 33.023 1.00 18.98 ? 128 ILE A C 1 +ATOM 923 O O . ILE A 1 128 ? 31.975 25.789 33.946 1.00 20.79 ? 128 ILE A O 1 +ATOM 924 C CB . ILE A 1 128 ? 32.867 28.860 32.382 1.00 29.66 ? 128 ILE A CB 1 +ATOM 925 C CG1 . ILE A 1 128 ? 34.290 28.594 32.840 1.00 28.41 ? 128 ILE A CG1 1 +ATOM 926 C CG2 . ILE A 1 128 ? 32.529 30.350 32.515 1.00 36.03 ? 128 ILE A CG2 1 +ATOM 927 C CD1 . ILE A 1 128 ? 35.280 29.187 31.851 1.00 32.88 ? 128 ILE A CD1 1 +ATOM 928 N N . SER A 1 129 ? 32.284 26.221 31.791 1.00 17.13 ? 129 SER A N 1 +ATOM 929 C CA . SER A 1 129 ? 32.387 24.809 31.496 1.00 18.33 ? 129 SER A CA 1 +ATOM 930 C C . SER A 1 129 ? 33.732 24.543 30.910 1.00 23.36 ? 129 SER A C 1 +ATOM 931 O O . SER A 1 129 ? 34.154 25.270 29.995 1.00 21.29 ? 129 SER A O 1 +ATOM 932 C CB . SER A 1 129 ? 31.262 24.387 30.585 1.00 24.15 ? 129 SER A CB 1 +ATOM 933 O OG . SER A 1 129 ? 30.012 24.492 31.278 1.00 26.69 ? 129 SER A OG 1 +ATOM 934 N N . ALA A 1 130 ? 34.412 23.514 31.442 1.00 15.82 ? 130 ALA A N 1 +ATOM 935 C CA . ALA A 1 130 ? 35.776 23.231 30.972 1.00 13.96 ? 130 ALA A CA 1 +ATOM 936 C C . ALA A 1 130 ? 36.146 21.766 30.893 1.00 13.74 ? 130 ALA A C 1 +ATOM 937 O O . ALA A 1 130 ? 35.715 20.971 31.712 1.00 17.90 ? 130 ALA A O 1 +ATOM 938 C CB . ALA A 1 130 ? 36.740 23.966 31.908 1.00 17.02 ? 130 ALA A CB 1 +ATOM 939 N N . TRP A 1 131 ? 36.930 21.421 29.874 1.00 16.80 ? 131 TRP A N 1 +ATOM 940 C CA . TRP A 1 131 ? 37.413 20.083 29.636 1.00 17.17 ? 131 TRP A CA 1 +ATOM 941 C C . TRP A 1 131 ? 38.848 20.208 29.198 1.00 13.62 ? 131 TRP A C 1 +ATOM 942 O O . TRP A 1 131 ? 39.348 21.306 29.002 1.00 18.57 ? 131 TRP A O 1 +ATOM 943 C CB . TRP A 1 131 ? 36.657 19.371 28.483 1.00 15.97 ? 131 TRP A CB 1 +ATOM 944 C CG . TRP A 1 131 ? 35.200 19.122 28.788 1.00 20.00 ? 131 TRP A CG 1 +ATOM 945 C CD1 . TRP A 1 131 ? 34.656 18.010 29.343 1.00 23.61 ? 131 TRP A CD1 1 +ATOM 946 C CD2 . TRP A 1 131 ? 34.097 20.051 28.571 1.00 26.10 ? 131 TRP A CD2 1 +ATOM 947 N NE1 . TRP A 1 131 ? 33.295 18.188 29.518 1.00 21.98 ? 131 TRP A NE1 1 +ATOM 948 C CE2 . TRP A 1 131 ? 32.919 19.425 29.048 1.00 25.26 ? 131 TRP A CE2 1 +ATOM 949 C CE3 . TRP A 1 131 ? 34.018 21.323 27.978 1.00 28.90 ? 131 TRP A CE3 1 +ATOM 950 C CZ2 . TRP A 1 131 ? 31.667 20.046 28.963 1.00 20.48 ? 131 TRP A CZ2 1 +ATOM 951 C CZ3 . TRP A 1 131 ? 32.799 21.933 27.898 1.00 27.49 ? 131 TRP A CZ3 1 +ATOM 952 C CH2 . TRP A 1 131 ? 31.637 21.300 28.395 1.00 26.18 ? 131 TRP A CH2 1 +ATOM 953 N N . MET A 1 132 ? 39.497 19.076 29.021 1.00 8.62 ? 132 MET A N 1 +ATOM 954 C CA . MET A 1 132 ? 40.852 19.140 28.545 1.00 13.71 ? 132 MET A CA 1 +ATOM 955 C C . MET A 1 132 ? 41.193 17.923 27.705 1.00 7.20 ? 132 MET A C 1 +ATOM 956 O O . MET A 1 132 ? 40.443 16.929 27.606 1.00 10.47 ? 132 MET A O 1 +ATOM 957 C CB . MET A 1 132 ? 41.800 19.219 29.747 1.00 14.81 ? 132 MET A CB 1 +ATOM 958 C CG . MET A 1 132 ? 41.893 17.858 30.430 1.00 25.01 ? 132 MET A CG 1 +ATOM 959 S SD . MET A 1 132 ? 42.857 17.871 31.969 1.00 19.42 ? 132 MET A SD 1 +ATOM 960 C CE . MET A 1 132 ? 44.367 17.104 31.333 1.00 15.56 ? 132 MET A CE 1 +ATOM 961 N N . LEU A 1 133 ? 42.354 18.058 27.091 1.00 17.49 ? 133 LEU A N 1 +ATOM 962 C CA . LEU A 1 133 ? 43.007 17.072 26.248 1.00 20.65 ? 133 LEU A CA 1 +ATOM 963 C C . LEU A 1 133 ? 44.238 16.583 26.974 1.00 21.54 ? 133 LEU A C 1 +ATOM 964 O O . LEU A 1 133 ? 44.939 17.377 27.563 1.00 23.96 ? 133 LEU A O 1 +ATOM 965 C CB . LEU A 1 133 ? 43.489 17.663 24.908 1.00 18.83 ? 133 LEU A CB 1 +ATOM 966 C CG . LEU A 1 133 ? 42.348 18.146 24.003 1.00 22.51 ? 133 LEU A CG 1 +ATOM 967 C CD1 . LEU A 1 133 ? 42.910 18.761 22.712 1.00 15.87 ? 133 LEU A CD1 1 +ATOM 968 C CD2 . LEU A 1 133 ? 41.476 16.953 23.664 1.00 18.16 ? 133 LEU A CD2 1 +ATOM 969 N N . THR A 1 134 ? 44.500 15.283 26.921 1.00 22.04 ? 134 THR A N 1 +ATOM 970 C CA . THR A 1 134 ? 45.668 14.773 27.556 1.00 15.20 ? 134 THR A CA 1 +ATOM 971 C C . THR A 1 134 ? 46.811 14.874 26.533 1.00 27.50 ? 134 THR A C 1 +ATOM 972 O O . THR A 1 134 ? 46.604 15.301 25.407 1.00 18.67 ? 134 THR A O 1 +ATOM 973 C CB . THR A 1 134 ? 45.468 13.361 28.124 1.00 25.72 ? 134 THR A CB 1 +ATOM 974 O OG1 . THR A 1 134 ? 46.624 12.963 28.848 1.00 27.06 ? 134 THR A OG1 1 +ATOM 975 C CG2 . THR A 1 134 ? 45.185 12.341 27.008 1.00 19.12 ? 134 THR A CG2 1 +ATOM 976 N N . GLY A 1 135 ? 48.021 14.513 26.909 1.00 13.94 ? 135 GLY A N 1 +ATOM 977 C CA . GLY A 1 135 ? 49.144 14.653 25.993 1.00 13.16 ? 135 GLY A CA 1 +ATOM 978 C C . GLY A 1 135 ? 49.631 16.099 25.883 1.00 23.93 ? 135 GLY A C 1 +ATOM 979 O O . GLY A 1 135 ? 49.218 16.951 26.675 1.00 18.99 ? 135 GLY A O 1 +ATOM 980 N N . ALA A 1 136 ? 50.507 16.335 24.878 1.00 20.47 ? 136 ALA A N 1 +ATOM 981 C CA . ALA A 1 136 ? 51.117 17.612 24.520 1.00 22.51 ? 136 ALA A CA 1 +ATOM 982 C C . ALA A 1 136 ? 51.840 17.441 23.177 1.00 23.69 ? 136 ALA A C 1 +ATOM 983 O O . ALA A 1 136 ? 51.634 16.466 22.461 1.00 20.42 ? 136 ALA A O 1 +ATOM 984 C CB . ALA A 1 136 ? 52.104 18.138 25.579 1.00 20.90 ? 136 ALA A CB 1 +ATOM 985 N N . TYR A 1 137 ? 52.725 18.368 22.820 1.00 18.93 ? 137 TYR A N 1 +ATOM 986 C CA . TYR A 1 137 ? 53.407 18.146 21.561 1.00 17.30 ? 137 TYR A CA 1 +ATOM 987 C C . TYR A 1 137 ? 54.038 16.788 21.538 1.00 18.43 ? 137 TYR A C 1 +ATOM 988 O O . TYR A 1 137 ? 53.996 16.096 20.524 1.00 22.48 ? 137 TYR A O 1 +ATOM 989 C CB . TYR A 1 137 ? 54.561 19.117 21.294 1.00 33.25 ? 137 TYR A CB 1 +ATOM 990 C CG . TYR A 1 137 ? 54.168 20.472 20.753 1.00 38.74 ? 137 TYR A CG 1 +ATOM 991 C CD1 . TYR A 1 137 ? 52.896 21.017 20.943 1.00 28.76 ? 137 TYR A CD1 1 +ATOM 992 C CD2 . TYR A 1 137 ? 55.113 21.191 20.015 1.00 31.31 ? 137 TYR A CD2 1 +ATOM 993 C CE1 . TYR A 1 137 ? 52.566 22.266 20.409 1.00 22.72 ? 137 TYR A CE1 1 +ATOM 994 C CE2 . TYR A 1 137 ? 54.812 22.446 19.488 1.00 20.99 ? 137 TYR A CE2 1 +ATOM 995 C CZ . TYR A 1 137 ? 53.542 22.983 19.710 1.00 25.22 ? 137 TYR A CZ 1 +ATOM 996 O OH . TYR A 1 137 ? 53.300 24.233 19.200 1.00 28.92 ? 137 TYR A OH 1 +ATOM 997 N N . HIS A 1 138 ? 54.674 16.442 22.673 1.00 23.55 ? 138 HIS A N 1 +ATOM 998 C CA . HIS A 1 138 ? 55.379 15.193 22.801 1.00 19.84 ? 138 HIS A CA 1 +ATOM 999 C C . HIS A 1 138 ? 54.626 13.906 22.503 1.00 15.46 ? 138 HIS A C 1 +ATOM 1000 O O . HIS A 1 138 ? 53.510 13.632 22.955 1.00 25.60 ? 138 HIS A O 1 +ATOM 1001 C CB . HIS A 1 138 ? 56.114 15.103 24.119 1.00 30.69 ? 138 HIS A CB 1 +ATOM 1002 C CG . HIS A 1 138 ? 57.179 14.050 24.120 1.00 35.99 ? 138 HIS A CG 1 +ATOM 1003 N ND1 . HIS A 1 138 ? 56.895 12.717 24.396 1.00 40.51 ? 138 HIS A ND1 1 +ATOM 1004 C CD2 . HIS A 1 138 ? 58.510 14.165 23.910 1.00 28.46 ? 138 HIS A CD2 1 +ATOM 1005 C CE1 . HIS A 1 138 ? 58.036 12.067 24.360 1.00 27.93 ? 138 HIS A CE1 1 +ATOM 1006 N NE2 . HIS A 1 138 ? 59.028 12.908 24.071 1.00 23.33 ? 138 HIS A NE2 1 +ATOM 1007 N N . VAL A 1 139 ? 55.321 13.093 21.748 1.00 15.09 ? 139 VAL A N 1 +ATOM 1008 C CA . VAL A 1 139 ? 54.856 11.771 21.359 1.00 22.38 ? 139 VAL A CA 1 +ATOM 1009 C C . VAL A 1 139 ? 56.048 10.856 21.520 1.00 29.93 ? 139 VAL A C 1 +ATOM 1010 O O . VAL A 1 139 ? 57.106 11.174 20.990 1.00 31.37 ? 139 VAL A O 1 +ATOM 1011 C CB . VAL A 1 139 ? 54.353 11.666 19.916 1.00 33.11 ? 139 VAL A CB 1 +ATOM 1012 C CG1 . VAL A 1 139 ? 53.754 10.270 19.662 1.00 29.75 ? 139 VAL A CG1 1 +ATOM 1013 C CG2 . VAL A 1 139 ? 53.333 12.765 19.627 1.00 37.76 ? 139 VAL A CG2 1 +ATOM 1014 N N . PRO A 1 140 ? 55.883 9.763 22.272 1.00 27.98 ? 140 PRO A N 1 +ATOM 1015 C CA . PRO A 1 140 ? 54.635 9.400 22.935 1.00 32.27 ? 140 PRO A CA 1 +ATOM 1016 C C . PRO A 1 140 ? 54.127 10.369 23.971 1.00 26.39 ? 140 PRO A C 1 +ATOM 1017 O O . PRO A 1 140 ? 54.889 11.087 24.638 1.00 28.61 ? 140 PRO A O 1 +ATOM 1018 C CB . PRO A 1 140 ? 54.873 8.074 23.636 1.00 31.27 ? 140 PRO A CB 1 +ATOM 1019 C CG . PRO A 1 140 ? 56.257 7.600 23.242 1.00 27.55 ? 140 PRO A CG 1 +ATOM 1020 C CD . PRO A 1 140 ? 56.866 8.650 22.337 1.00 20.96 ? 140 PRO A CD 1 +ATOM 1021 N N . SER A 1 141 ? 52.805 10.342 24.111 1.00 21.99 ? 141 SER A N 1 +ATOM 1022 C CA . SER A 1 141 ? 52.093 11.211 25.044 1.00 19.21 ? 141 SER A CA 1 +ATOM 1023 C C . SER A 1 141 ? 52.490 11.126 26.505 1.00 27.58 ? 141 SER A C 1 +ATOM 1024 O O . SER A 1 141 ? 52.686 10.041 27.013 1.00 16.92 ? 141 SER A O 1 +ATOM 1025 C CB . SER A 1 141 ? 50.625 10.846 25.015 1.00 16.05 ? 141 SER A CB 1 +ATOM 1026 O OG . SER A 1 141 ? 50.034 11.301 23.804 1.00 23.80 ? 141 SER A OG 1 +ATOM 1027 N N . ARG A 1 142 ? 52.523 12.272 27.177 1.00 21.36 ? 142 ARG A N 1 +ATOM 1028 C CA . ARG A 1 142 ? 52.747 12.306 28.609 1.00 22.77 ? 142 ARG A CA 1 +ATOM 1029 C C . ARG A 1 142 ? 51.363 12.352 29.263 1.00 14.72 ? 142 ARG A C 1 +ATOM 1030 O O . ARG A 1 142 ? 50.626 13.285 29.117 1.00 27.08 ? 142 ARG A O 1 +ATOM 1031 C CB . ARG A 1 142 ? 53.684 13.441 28.993 1.00 42.58 ? 142 ARG A CB 1 +ATOM 1032 C CG . ARG A 1 142 ? 55.072 13.113 28.448 1.00 37.26 ? 142 ARG A CG 1 +ATOM 1033 C CD . ARG A 1 142 ? 56.023 14.277 28.352 1.00 59.86 ? 142 ARG A CD 1 +ATOM 1034 N NE . ARG A 1 142 ? 57.378 13.853 28.011 1.00 26.90 ? 142 ARG A NE 1 +ATOM 1035 C CZ . ARG A 1 142 ? 58.279 14.644 27.451 1.00 69.25 ? 142 ARG A CZ 1 +ATOM 1036 N NH1 . ARG A 1 142 ? 58.001 15.912 27.145 1.00 30.55 ? 142 ARG A NH1 1 +ATOM 1037 N NH2 . ARG A 1 142 ? 59.509 14.173 27.188 1.00 25.27 ? 142 ARG A NH2 1 +ATOM 1038 N N . THR A 1 143 ? 50.948 11.302 29.949 1.00 26.70 ? 143 THR A N 1 +ATOM 1039 C CA . THR A 1 143 ? 49.617 11.272 30.508 1.00 22.64 ? 143 THR A CA 1 +ATOM 1040 C C . THR A 1 143 ? 49.557 11.264 32.021 1.00 18.51 ? 143 THR A C 1 +ATOM 1041 O O . THR A 1 143 ? 50.527 11.149 32.737 1.00 20.99 ? 143 THR A O 1 +ATOM 1042 C CB . THR A 1 143 ? 48.954 9.964 30.011 1.00 20.52 ? 143 THR A CB 1 +ATOM 1043 O OG1 . THR A 1 143 ? 49.634 8.860 30.579 1.00 20.23 ? 143 THR A OG1 1 +ATOM 1044 C CG2 . THR A 1 143 ? 49.095 9.846 28.505 1.00 12.17 ? 143 THR A CG2 1 +ATOM 1045 N N . ILE A 1 144 ? 48.338 11.334 32.507 1.00 14.14 ? 144 ILE A N 1 +ATOM 1046 C CA . ILE A 1 144 ? 48.084 11.278 33.920 1.00 17.60 ? 144 ILE A CA 1 +ATOM 1047 C C . ILE A 1 144 ? 48.129 9.860 34.425 1.00 23.41 ? 144 ILE A C 1 +ATOM 1048 O O . ILE A 1 144 ? 48.761 9.600 35.454 1.00 17.71 ? 144 ILE A O 1 +ATOM 1049 C CB . ILE A 1 144 ? 46.696 11.804 34.218 1.00 26.30 ? 144 ILE A CB 1 +ATOM 1050 C CG1 . ILE A 1 144 ? 46.567 13.265 33.826 1.00 18.95 ? 144 ILE A CG1 1 +ATOM 1051 C CG2 . ILE A 1 144 ? 46.296 11.594 35.666 1.00 24.11 ? 144 ILE A CG2 1 +ATOM 1052 C CD1 . ILE A 1 144 ? 45.101 13.656 33.811 1.00 11.70 ? 144 ILE A CD1 1 +ATOM 1053 N N . THR A 1 145 ? 47.427 8.942 33.740 1.00 22.91 ? 145 THR A N 1 +ATOM 1054 C CA . THR A 1 145 ? 47.378 7.570 34.284 1.00 23.82 ? 145 THR A CA 1 +ATOM 1055 C C . THR A 1 145 ? 48.349 6.632 33.656 1.00 36.32 ? 145 THR A C 1 +ATOM 1056 O O . THR A 1 145 ? 48.383 5.450 34.007 1.00 26.45 ? 145 THR A O 1 +ATOM 1057 C CB . THR A 1 145 ? 46.017 6.899 34.144 1.00 19.30 ? 145 THR A CB 1 +ATOM 1058 O OG1 . THR A 1 145 ? 45.857 6.618 32.774 1.00 24.89 ? 145 THR A OG1 1 +ATOM 1059 C CG2 . THR A 1 145 ? 44.917 7.825 34.613 1.00 22.75 ? 145 THR A CG2 1 +ATOM 1060 N N . GLY A 1 146 ? 49.116 7.156 32.720 1.00 29.55 ? 146 GLY A N 1 +ATOM 1061 C CA . GLY A 1 146 ? 50.101 6.349 32.079 1.00 20.20 ? 146 GLY A CA 1 +ATOM 1062 C C . GLY A 1 146 ? 49.679 5.758 30.759 1.00 32.44 ? 146 GLY A C 1 +ATOM 1063 O O . GLY A 1 146 ? 50.469 5.144 30.068 1.00 29.06 ? 146 GLY A O 1 +ATOM 1064 N N . SER A 1 147 ? 48.428 5.942 30.397 1.00 23.66 ? 147 SER A N 1 +ATOM 1065 C CA . SER A 1 147 ? 47.952 5.426 29.151 1.00 17.28 ? 147 SER A CA 1 +ATOM 1066 C C . SER A 1 147 ? 46.962 6.439 28.606 1.00 20.29 ? 147 SER A C 1 +ATOM 1067 O O . SER A 1 147 ? 46.167 6.949 29.358 1.00 10.25 ? 147 SER A O 1 +ATOM 1068 C CB . SER A 1 147 ? 47.223 4.116 29.440 1.00 11.05 ? 147 SER A CB 1 +ATOM 1069 O OG . SER A 1 147 ? 46.294 3.752 28.448 1.00 34.78 ? 147 SER A OG 1 +ATOM 1070 N N . VAL A 1 148 ? 47.015 6.705 27.310 1.00 21.74 ? 148 VAL A N 1 +ATOM 1071 C CA . VAL A 1 148 ? 46.104 7.647 26.649 1.00 21.32 ? 148 VAL A CA 1 +ATOM 1072 C C . VAL A 1 148 ? 44.692 7.133 26.741 1.00 26.00 ? 148 VAL A C 1 +ATOM 1073 O O . VAL A 1 148 ? 43.746 7.865 27.020 1.00 25.07 ? 148 VAL A O 1 +ATOM 1074 C CB . VAL A 1 148 ? 46.441 7.818 25.158 1.00 21.77 ? 148 VAL A CB 1 +ATOM 1075 C CG1 . VAL A 1 148 ? 45.249 8.349 24.367 1.00 21.36 ? 148 VAL A CG1 1 +ATOM 1076 C CG2 . VAL A 1 148 ? 47.610 8.791 24.991 1.00 17.15 ? 148 VAL A CG2 1 +ATOM 1077 N N . GLU A 1 149 ? 44.561 5.835 26.464 1.00 26.08 ? 149 GLU A N 1 +ATOM 1078 C CA . GLU A 1 149 ? 43.280 5.166 26.480 1.00 20.44 ? 149 GLU A CA 1 +ATOM 1079 C C . GLU A 1 149 ? 42.638 5.294 27.862 1.00 17.83 ? 149 GLU A C 1 +ATOM 1080 O O . GLU A 1 149 ? 41.462 5.670 28.012 1.00 18.95 ? 149 GLU A O 1 +ATOM 1081 C CB . GLU A 1 149 ? 43.449 3.693 26.084 1.00 21.70 ? 149 GLU A CB 1 +ATOM 1082 C CG . GLU A 1 149 ? 42.119 2.983 25.798 1.00 17.56 ? 149 GLU A CG 1 +ATOM 1083 C CD . GLU A 1 149 ? 42.330 1.546 25.371 1.00 27.07 ? 149 GLU A CD 1 +ATOM 1084 O OE1 . GLU A 1 149 ? 42.126 0.557 26.061 1.00 31.69 ? 149 GLU A OE1 1 +ATOM 1085 O OE2 . GLU A 1 149 ? 42.793 1.489 24.151 1.00 32.39 ? 149 GLU A OE2 1 +ATOM 1086 N N . LYS A 1 150 ? 43.431 4.984 28.875 1.00 7.57 ? 150 LYS A N 1 +ATOM 1087 C CA . LYS A 1 150 ? 43.019 5.036 30.276 1.00 20.83 ? 150 LYS A CA 1 +ATOM 1088 C C . LYS A 1 150 ? 42.625 6.424 30.708 1.00 14.24 ? 150 LYS A C 1 +ATOM 1089 O O . LYS A 1 150 ? 41.604 6.588 31.391 1.00 24.41 ? 150 LYS A O 1 +ATOM 1090 C CB . LYS A 1 150 ? 44.068 4.481 31.211 1.00 29.27 ? 150 LYS A CB 1 +ATOM 1091 C CG . LYS A 1 150 ? 43.520 4.112 32.558 1.00 35.67 ? 150 LYS A CG 1 +ATOM 1092 C CD . LYS A 1 150 ? 44.412 3.097 33.290 1.00 20.19 ? 150 LYS A CD 1 +ATOM 1093 C CE . LYS A 1 150 ? 43.874 2.623 34.660 1.00 43.04 ? 150 LYS A CE 1 +ATOM 1094 N NZ . LYS A 1 150 ? 44.912 2.434 35.704 1.00 39.20 ? 150 LYS A NZ 1 +ATOM 1095 N N . ASP A 1 151 ? 43.424 7.416 30.284 1.00 13.43 ? 151 ASP A N 1 +ATOM 1096 C CA . ASP A 1 151 ? 43.097 8.811 30.616 1.00 24.42 ? 151 ASP A CA 1 +ATOM 1097 C C . ASP A 1 151 ? 41.778 9.239 29.997 1.00 20.33 ? 151 ASP A C 1 +ATOM 1098 O O . ASP A 1 151 ? 40.910 9.788 30.680 1.00 22.54 ? 151 ASP A O 1 +ATOM 1099 C CB . ASP A 1 151 ? 44.169 9.822 30.221 1.00 8.53 ? 151 ASP A CB 1 +ATOM 1100 C CG . ASP A 1 151 ? 45.415 9.851 31.068 1.00 20.71 ? 151 ASP A CG 1 +ATOM 1101 O OD1 . ASP A 1 151 ? 45.812 8.981 31.847 1.00 21.07 ? 151 ASP A OD1 1 +ATOM 1102 O OD2 . ASP A 1 151 ? 46.019 10.988 30.884 1.00 20.29 ? 151 ASP A OD2 1 +ATOM 1103 N N . VAL A 1 152 ? 41.605 8.939 28.705 1.00 21.95 ? 152 VAL A N 1 +ATOM 1104 C CA . VAL A 1 152 ? 40.336 9.302 28.055 1.00 16.14 ? 152 VAL A CA 1 +ATOM 1105 C C . VAL A 1 152 ? 39.202 8.504 28.660 1.00 17.21 ? 152 VAL A C 1 +ATOM 1106 O O . VAL A 1 152 ? 38.117 8.983 28.879 1.00 18.84 ? 152 VAL A O 1 +ATOM 1107 C CB . VAL A 1 152 ? 40.351 9.155 26.530 1.00 15.28 ? 152 VAL A CB 1 +ATOM 1108 C CG1 . VAL A 1 152 ? 39.146 9.825 25.848 1.00 8.62 ? 152 VAL A CG1 1 +ATOM 1109 C CG2 . VAL A 1 152 ? 41.613 9.810 25.976 1.00 9.54 ? 152 VAL A CG2 1 +ATOM 1110 N N . ALA A 1 153 ? 39.459 7.264 29.016 1.00 10.74 ? 153 ALA A N 1 +ATOM 1111 C CA . ALA A 1 153 ? 38.344 6.533 29.551 1.00 9.38 ? 153 ALA A CA 1 +ATOM 1112 C C . ALA A 1 153 ? 37.960 6.870 30.962 1.00 20.80 ? 153 ALA A C 1 +ATOM 1113 O O . ALA A 1 153 ? 36.786 6.871 31.299 1.00 26.05 ? 153 ALA A O 1 +ATOM 1114 C CB . ALA A 1 153 ? 38.637 5.035 29.501 1.00 13.79 ? 153 ALA A CB 1 +ATOM 1115 N N . ILE A 1 154 ? 38.943 7.082 31.813 1.00 11.37 ? 154 ILE A N 1 +ATOM 1116 C CA . ILE A 1 154 ? 38.598 7.284 33.178 1.00 20.65 ? 154 ILE A CA 1 +ATOM 1117 C C . ILE A 1 154 ? 38.737 8.645 33.766 1.00 17.16 ? 154 ILE A C 1 +ATOM 1118 O O . ILE A 1 154 ? 38.280 8.836 34.853 1.00 18.19 ? 154 ILE A O 1 +ATOM 1119 C CB . ILE A 1 154 ? 39.269 6.286 34.078 1.00 21.99 ? 154 ILE A CB 1 +ATOM 1120 C CG1 . ILE A 1 154 ? 40.705 6.680 34.272 1.00 28.07 ? 154 ILE A CG1 1 +ATOM 1121 C CG2 . ILE A 1 154 ? 39.171 4.878 33.488 1.00 20.31 ? 154 ILE A CG2 1 +ATOM 1122 C CD1 . ILE A 1 154 ? 41.312 5.808 35.367 1.00 20.97 ? 154 ILE A CD1 1 +ATOM 1123 N N . ILE A 1 155 ? 39.330 9.605 33.116 1.00 17.79 ? 155 ILE A N 1 +ATOM 1124 C CA . ILE A 1 155 ? 39.345 10.875 33.835 1.00 12.70 ? 155 ILE A CA 1 +ATOM 1125 C C . ILE A 1 155 ? 38.261 11.715 33.211 1.00 13.14 ? 155 ILE A C 1 +ATOM 1126 O O . ILE A 1 155 ? 38.300 12.058 32.034 1.00 11.80 ? 155 ILE A O 1 +ATOM 1127 C CB . ILE A 1 155 ? 40.694 11.556 33.811 1.00 25.20 ? 155 ILE A CB 1 +ATOM 1128 C CG1 . ILE A 1 155 ? 41.635 10.725 34.672 1.00 18.18 ? 155 ILE A CG1 1 +ATOM 1129 C CG2 . ILE A 1 155 ? 40.592 13.032 34.274 1.00 13.07 ? 155 ILE A CG2 1 +ATOM 1130 C CD1 . ILE A 1 155 ? 42.909 10.370 33.928 1.00 55.57 ? 155 ILE A CD1 1 +ATOM 1131 N N . ASP A 1 156 ? 37.272 11.968 34.020 1.00 8.10 ? 156 ASP A N 1 +ATOM 1132 C CA . ASP A 1 156 ? 36.125 12.716 33.625 1.00 8.88 ? 156 ASP A CA 1 +ATOM 1133 C C . ASP A 1 156 ? 36.319 13.923 32.750 1.00 17.43 ? 156 ASP A C 1 +ATOM 1134 O O . ASP A 1 156 ? 35.490 14.101 31.875 1.00 22.38 ? 156 ASP A O 1 +ATOM 1135 C CB . ASP A 1 156 ? 35.200 12.987 34.796 1.00 17.81 ? 156 ASP A CB 1 +ATOM 1136 C CG . ASP A 1 156 ? 35.595 14.162 35.613 1.00 14.36 ? 156 ASP A CG 1 +ATOM 1137 O OD1 . ASP A 1 156 ? 36.722 14.333 36.041 1.00 24.45 ? 156 ASP A OD1 1 +ATOM 1138 O OD2 . ASP A 1 156 ? 34.557 14.948 35.832 1.00 37.88 ? 156 ASP A OD2 1 +ATOM 1139 N N . ARG A 1 157 ? 37.359 14.754 32.953 1.00 18.54 ? 157 ARG A N 1 +ATOM 1140 C CA . ARG A 1 157 ? 37.467 15.978 32.122 1.00 17.86 ? 157 ARG A CA 1 +ATOM 1141 C C . ARG A 1 157 ? 38.212 15.819 30.833 1.00 15.24 ? 157 ARG A C 1 +ATOM 1142 O O . ARG A 1 157 ? 38.262 16.765 30.015 1.00 27.08 ? 157 ARG A O 1 +ATOM 1143 C CB . ARG A 1 157 ? 38.031 17.212 32.850 1.00 15.88 ? 157 ARG A CB 1 +ATOM 1144 C CG . ARG A 1 157 ? 37.254 17.583 34.118 1.00 16.59 ? 157 ARG A CG 1 +ATOM 1145 C CD . ARG A 1 157 ? 35.756 17.344 33.941 1.00 35.93 ? 157 ARG A CD 1 +ATOM 1146 N NE . ARG A 1 157 ? 35.029 18.370 33.208 1.00 30.00 ? 157 ARG A NE 1 +ATOM 1147 C CZ . ARG A 1 157 ? 33.720 18.307 32.955 1.00 49.22 ? 157 ARG A CZ 1 +ATOM 1148 N NH1 . ARG A 1 157 ? 32.995 17.253 33.350 1.00 43.41 ? 157 ARG A NH1 1 +ATOM 1149 N NH2 . ARG A 1 157 ? 33.129 19.297 32.275 1.00 55.81 ? 157 ARG A NH2 1 +ATOM 1150 N N . VAL A 1 158 ? 38.862 14.661 30.675 1.00 20.59 ? 158 VAL A N 1 +ATOM 1151 C CA . VAL A 1 158 ? 39.646 14.420 29.492 1.00 19.07 ? 158 VAL A CA 1 +ATOM 1152 C C . VAL A 1 158 ? 38.756 13.937 28.359 1.00 33.68 ? 158 VAL A C 1 +ATOM 1153 O O . VAL A 1 158 ? 38.033 12.934 28.501 1.00 22.67 ? 158 VAL A O 1 +ATOM 1154 C CB . VAL A 1 158 ? 40.788 13.471 29.771 1.00 23.33 ? 158 VAL A CB 1 +ATOM 1155 C CG1 . VAL A 1 158 ? 41.629 13.240 28.515 1.00 13.56 ? 158 VAL A CG1 1 +ATOM 1156 C CG2 . VAL A 1 158 ? 41.601 14.106 30.863 1.00 10.26 ? 158 VAL A CG2 1 +ATOM 1157 N N . ILE A 1 159 ? 38.806 14.687 27.241 1.00 23.19 ? 159 ILE A N 1 +ATOM 1158 C CA . ILE A 1 159 ? 37.988 14.340 26.084 1.00 20.55 ? 159 ILE A CA 1 +ATOM 1159 C C . ILE A 1 159 ? 38.760 13.806 24.895 1.00 13.93 ? 159 ILE A C 1 +ATOM 1160 O O . ILE A 1 159 ? 38.176 13.372 23.905 1.00 20.02 ? 159 ILE A O 1 +ATOM 1161 C CB . ILE A 1 159 ? 37.001 15.453 25.671 1.00 10.58 ? 159 ILE A CB 1 +ATOM 1162 C CG1 . ILE A 1 159 ? 37.751 16.671 25.092 1.00 11.28 ? 159 ILE A CG1 1 +ATOM 1163 C CG2 . ILE A 1 159 ? 36.126 15.855 26.848 1.00 30.52 ? 159 ILE A CG2 1 +ATOM 1164 C CD1 . ILE A 1 159 ? 36.785 17.811 24.794 1.00 13.33 ? 159 ILE A CD1 1 +ATOM 1165 N N . GLY A 1 160 ? 40.089 13.830 24.990 1.00 18.83 ? 160 GLY A N 1 +ATOM 1166 C CA . GLY A 1 160 ? 40.878 13.325 23.876 1.00 8.19 ? 160 GLY A CA 1 +ATOM 1167 C C . GLY A 1 160 ? 42.344 13.624 24.082 1.00 10.19 ? 160 GLY A C 1 +ATOM 1168 O O . GLY A 1 160 ? 42.809 13.987 25.192 1.00 20.29 ? 160 GLY A O 1 +ATOM 1169 N N . VAL A 1 161 ? 43.093 13.516 23.008 1.00 19.42 ? 161 VAL A N 1 +ATOM 1170 C CA . VAL A 1 161 ? 44.525 13.739 23.168 1.00 18.57 ? 161 VAL A CA 1 +ATOM 1171 C C . VAL A 1 161 ? 45.073 14.736 22.192 1.00 25.96 ? 161 VAL A C 1 +ATOM 1172 O O . VAL A 1 161 ? 44.521 14.911 21.101 1.00 16.59 ? 161 VAL A O 1 +ATOM 1173 C CB . VAL A 1 161 ? 45.250 12.413 23.039 1.00 21.61 ? 161 VAL A CB 1 +ATOM 1174 C CG1 . VAL A 1 161 ? 45.161 12.029 21.562 1.00 18.14 ? 161 VAL A CG1 1 +ATOM 1175 C CG2 . VAL A 1 161 ? 46.695 12.509 23.521 1.00 14.11 ? 161 VAL A CG2 1 +HETATM 1176 N N . KCX A 1 162 ? 46.153 15.375 22.634 1.00 17.08 ? 162 KCX A N 1 +HETATM 1177 C CA . KCX A 1 162 ? 46.831 16.366 21.841 1.00 18.84 ? 162 KCX A CA 1 +HETATM 1178 C CB . KCX A 1 162 ? 46.913 17.675 22.637 1.00 21.51 ? 162 KCX A CB 1 +HETATM 1179 C CG . KCX A 1 162 ? 48.050 18.593 22.191 1.00 32.82 ? 162 KCX A CG 1 +HETATM 1180 C CD . KCX A 1 162 ? 47.554 19.719 21.317 1.00 37.31 ? 162 KCX A CD 1 +HETATM 1181 C CE . KCX A 1 162 ? 48.674 20.470 20.650 1.00 53.58 ? 162 KCX A CE 1 +HETATM 1182 N NZ . KCX A 1 162 ? 49.018 21.673 21.406 1.00 50.78 ? 162 KCX A NZ 1 +HETATM 1183 C C . KCX A 1 162 ? 48.192 15.850 21.378 1.00 18.53 ? 162 KCX A C 1 +HETATM 1184 O O . KCX A 1 162 ? 48.762 14.956 21.991 1.00 22.54 ? 162 KCX A O 1 +HETATM 1185 C CX . KCX A 1 162 ? 48.661 22.900 20.691 1.00 42.21 ? 162 KCX A CX 1 +HETATM 1186 O OQ1 . KCX A 1 162 ? 49.040 23.990 21.287 1.00 35.07 ? 162 KCX A OQ1 1 +HETATM 1187 O OQ2 . KCX A 1 162 ? 48.189 22.869 19.566 1.00 71.52 ? 162 KCX A OQ2 1 +ATOM 1188 N N . CYS A 1 163 ? 48.708 16.406 20.270 1.00 26.87 ? 163 CYS A N 1 +ATOM 1189 C CA . CYS A 1 163 ? 50.013 16.059 19.709 1.00 16.08 ? 163 CYS A CA 1 +ATOM 1190 C C . CYS A 1 163 ? 50.485 17.130 18.734 1.00 21.71 ? 163 CYS A C 1 +ATOM 1191 O O . CYS A 1 163 ? 49.761 18.044 18.427 1.00 25.71 ? 163 CYS A O 1 +ATOM 1192 C CB . CYS A 1 163 ? 50.090 14.661 19.065 1.00 25.39 ? 163 CYS A CB 1 +ATOM 1193 S SG . CYS A 1 163 ? 49.402 14.565 17.380 1.00 28.41 ? 163 CYS A SG 1 +ATOM 1194 N N . ALA A 1 164 ? 51.716 17.008 18.223 1.00 20.02 ? 164 ALA A N 1 +ATOM 1195 C CA . ALA A 1 164 ? 52.229 17.937 17.230 1.00 10.91 ? 164 ALA A CA 1 +ATOM 1196 C C . ALA A 1 164 ? 52.906 17.135 16.146 1.00 29.55 ? 164 ALA A C 1 +ATOM 1197 O O . ALA A 1 164 ? 53.549 16.110 16.430 1.00 25.78 ? 164 ALA A O 1 +ATOM 1198 C CB . ALA A 1 164 ? 53.211 18.953 17.808 1.00 12.01 ? 164 ALA A CB 1 +ATOM 1199 N N . ILE A 1 165 ? 52.713 17.604 14.908 1.00 19.70 ? 165 ILE A N 1 +ATOM 1200 C CA . ILE A 1 165 ? 53.298 17.049 13.699 1.00 18.92 ? 165 ILE A CA 1 +ATOM 1201 C C . ILE A 1 165 ? 53.746 18.183 12.777 1.00 31.28 ? 165 ILE A C 1 +ATOM 1202 O O . ILE A 1 165 ? 53.337 19.335 12.944 1.00 24.43 ? 165 ILE A O 1 +ATOM 1203 C CB . ILE A 1 165 ? 52.350 16.114 12.990 1.00 24.19 ? 165 ILE A CB 1 +ATOM 1204 C CG1 . ILE A 1 165 ? 50.941 16.691 12.848 1.00 22.44 ? 165 ILE A CG1 1 +ATOM 1205 C CG2 . ILE A 1 165 ? 52.270 14.800 13.752 1.00 23.33 ? 165 ILE A CG2 1 +ATOM 1206 C CD1 . ILE A 1 165 ? 50.386 16.382 11.452 1.00 32.24 ? 165 ILE A CD1 1 +ATOM 1207 N N . SER A 1 166 ? 54.609 17.847 11.815 1.00 27.99 ? 166 SER A N 1 +ATOM 1208 C CA . SER A 1 166 ? 55.140 18.770 10.816 1.00 25.25 ? 166 SER A CA 1 +ATOM 1209 C C . SER A 1 166 ? 55.588 20.087 11.398 1.00 41.81 ? 166 SER A C 1 +ATOM 1210 O O . SER A 1 166 ? 55.239 21.161 10.886 1.00 27.18 ? 166 SER A O 1 +ATOM 1211 C CB . SER A 1 166 ? 54.133 18.996 9.690 1.00 20.47 ? 166 SER A CB 1 +ATOM 1212 O OG . SER A 1 166 ? 53.681 17.750 9.172 1.00 30.15 ? 166 SER A OG 1 +ATOM 1213 N N . ASP A 1 167 ? 56.383 19.970 12.458 1.00 22.87 ? 167 ASP A N 1 +ATOM 1214 C CA . ASP A 1 167 ? 56.884 21.136 13.158 1.00 16.12 ? 167 ASP A CA 1 +ATOM 1215 C C . ASP A 1 167 ? 58.326 20.909 13.656 1.00 28.87 ? 167 ASP A C 1 +ATOM 1216 O O . ASP A 1 167 ? 58.745 19.800 14.027 1.00 26.21 ? 167 ASP A O 1 +ATOM 1217 C CB . ASP A 1 167 ? 55.895 21.421 14.318 1.00 19.67 ? 167 ASP A CB 1 +ATOM 1218 C CG . ASP A 1 167 ? 56.107 22.727 15.026 1.00 29.85 ? 167 ASP A CG 1 +ATOM 1219 O OD1 . ASP A 1 167 ? 56.989 22.920 15.831 1.00 36.52 ? 167 ASP A OD1 1 +ATOM 1220 O OD2 . ASP A 1 167 ? 55.222 23.629 14.694 1.00 41.59 ? 167 ASP A OD2 1 +ATOM 1221 N N . HIS A 1 168 ? 59.124 21.968 13.669 1.00 31.14 ? 168 HIS A N 1 +ATOM 1222 C CA . HIS A 1 168 ? 60.495 21.810 14.154 1.00 32.70 ? 168 HIS A CA 1 +ATOM 1223 C C . HIS A 1 168 ? 60.537 21.640 15.691 1.00 30.65 ? 168 HIS A C 1 +ATOM 1224 O O . HIS A 1 168 ? 61.605 21.579 16.299 1.00 41.32 ? 168 HIS A O 1 +ATOM 1225 C CB . HIS A 1 168 ? 61.351 23.025 13.753 1.00 30.32 ? 168 HIS A CB 1 +ATOM 1226 C CG . HIS A 1 168 ? 60.777 24.279 14.330 1.00 35.68 ? 168 HIS A CG 1 +ATOM 1227 N ND1 . HIS A 1 168 ? 61.074 24.693 15.626 1.00 40.09 ? 168 HIS A ND1 1 +ATOM 1228 C CD2 . HIS A 1 168 ? 59.917 25.170 13.780 1.00 32.66 ? 168 HIS A CD2 1 +ATOM 1229 C CE1 . HIS A 1 168 ? 60.395 25.813 15.831 1.00 40.79 ? 168 HIS A CE1 1 +ATOM 1230 N NE2 . HIS A 1 168 ? 59.678 26.121 14.748 1.00 38.75 ? 168 HIS A NE2 1 +ATOM 1231 N N . ARG A 1 169 ? 59.357 21.596 16.323 1.00 28.40 ? 169 ARG A N 1 +ATOM 1232 C CA . ARG A 1 169 ? 59.195 21.436 17.757 1.00 24.72 ? 169 ARG A CA 1 +ATOM 1233 C C . ARG A 1 169 ? 58.587 20.087 18.095 1.00 25.54 ? 169 ARG A C 1 +ATOM 1234 O O . ARG A 1 169 ? 58.311 19.810 19.261 1.00 30.92 ? 169 ARG A O 1 +ATOM 1235 C CB . ARG A 1 169 ? 58.345 22.544 18.348 1.00 27.59 ? 169 ARG A CB 1 +ATOM 1236 C CG . ARG A 1 169 ? 59.092 23.868 18.514 1.00 40.42 ? 169 ARG A CG 1 +ATOM 1237 C CD . ARG A 1 169 ? 58.127 25.059 18.635 1.00 38.91 ? 169 ARG A CD 1 +ATOM 1238 N NE . ARG A 1 169 ? 57.107 25.112 17.579 1.00 32.22 ? 169 ARG A NE 1 +ATOM 1239 C CZ . ARG A 1 169 ? 55.971 25.808 17.670 1.00 68.41 ? 169 ARG A CZ 1 +ATOM 1240 N NH1 . ARG A 1 169 ? 55.653 26.522 18.755 1.00 30.86 ? 169 ARG A NH1 1 +ATOM 1241 N NH2 . ARG A 1 169 ? 55.120 25.789 16.654 1.00 46.92 ? 169 ARG A NH2 1 +ATOM 1242 N N . SER A 1 170 ? 58.389 19.251 17.061 1.00 29.67 ? 170 SER A N 1 +ATOM 1243 C CA . SER A 1 170 ? 57.799 17.922 17.212 1.00 34.87 ? 170 SER A CA 1 +ATOM 1244 C C . SER A 1 170 ? 58.751 16.897 17.852 1.00 43.77 ? 170 SER A C 1 +ATOM 1245 O O . SER A 1 170 ? 59.931 17.188 18.083 1.00 25.89 ? 170 SER A O 1 +ATOM 1246 C CB . SER A 1 170 ? 57.115 17.384 15.960 1.00 26.38 ? 170 SER A CB 1 +ATOM 1247 O OG . SER A 1 170 ? 58.076 16.881 15.039 1.00 55.01 ? 170 SER A OG 1 +ATOM 1248 N N . ALA A 1 171 ? 58.200 15.713 18.173 1.00 41.02 ? 171 ALA A N 1 +ATOM 1249 C CA . ALA A 1 171 ? 58.964 14.643 18.790 1.00 39.19 ? 171 ALA A CA 1 +ATOM 1250 C C . ALA A 1 171 ? 59.491 13.654 17.741 1.00 34.49 ? 171 ALA A C 1 +ATOM 1251 O O . ALA A 1 171 ? 60.118 12.650 18.062 1.00 20.64 ? 171 ALA A O 1 +ATOM 1252 C CB . ALA A 1 171 ? 58.151 13.966 19.893 1.00 34.32 ? 171 ALA A CB 1 +ATOM 1253 N N . ALA A 1 172 ? 59.233 13.962 16.459 1.00 31.22 ? 172 ALA A N 1 +ATOM 1254 C CA . ALA A 1 172 ? 59.609 13.118 15.349 1.00 25.69 ? 172 ALA A CA 1 +ATOM 1255 C C . ALA A 1 172 ? 58.895 11.759 15.376 1.00 26.42 ? 172 ALA A C 1 +ATOM 1256 O O . ALA A 1 172 ? 59.475 10.707 15.017 1.00 30.45 ? 172 ALA A O 1 +ATOM 1257 C CB . ALA A 1 172 ? 61.116 12.987 15.205 1.00 30.16 ? 172 ALA A CB 1 +ATOM 1258 N N . PRO A 1 173 ? 57.620 11.783 15.806 1.00 26.85 ? 173 PRO A N 1 +ATOM 1259 C CA . PRO A 1 173 ? 56.832 10.562 15.870 1.00 29.54 ? 173 PRO A CA 1 +ATOM 1260 C C . PRO A 1 173 ? 56.802 9.881 14.534 1.00 36.51 ? 173 PRO A C 1 +ATOM 1261 O O . PRO A 1 173 ? 56.845 10.521 13.494 1.00 24.98 ? 173 PRO A O 1 +ATOM 1262 C CB . PRO A 1 173 ? 55.358 10.970 15.970 1.00 24.68 ? 173 PRO A CB 1 +ATOM 1263 C CG . PRO A 1 173 ? 55.328 12.411 15.480 1.00 37.91 ? 173 PRO A CG 1 +ATOM 1264 C CD . PRO A 1 173 ? 56.726 12.972 15.687 1.00 22.58 ? 173 PRO A CD 1 +ATOM 1265 N N . ASP A 1 174 ? 56.667 8.580 14.585 1.00 39.22 ? 174 ASP A N 1 +ATOM 1266 C CA . ASP A 1 174 ? 56.565 7.841 13.378 1.00 34.60 ? 174 ASP A CA 1 +ATOM 1267 C C . ASP A 1 174 ? 55.103 7.506 13.236 1.00 32.77 ? 174 ASP A C 1 +ATOM 1268 O O . ASP A 1 174 ? 54.303 7.935 14.049 1.00 33.22 ? 174 ASP A O 1 +ATOM 1269 C CB . ASP A 1 174 ? 57.454 6.594 13.386 1.00 33.95 ? 174 ASP A CB 1 +ATOM 1270 C CG . ASP A 1 174 ? 57.182 5.808 14.605 1.00 31.77 ? 174 ASP A CG 1 +ATOM 1271 O OD1 . ASP A 1 174 ? 56.277 6.104 15.378 1.00 30.81 ? 174 ASP A OD1 1 +ATOM 1272 O OD2 . ASP A 1 174 ? 57.971 4.751 14.698 1.00 46.90 ? 174 ASP A OD2 1 +ATOM 1273 N N . VAL A 1 175 ? 54.747 6.766 12.211 1.00 39.41 ? 175 VAL A N 1 +ATOM 1274 C CA . VAL A 1 175 ? 53.348 6.503 12.023 1.00 34.67 ? 175 VAL A CA 1 +ATOM 1275 C C . VAL A 1 175 ? 52.741 5.590 13.067 1.00 28.91 ? 175 VAL A C 1 +ATOM 1276 O O . VAL A 1 175 ? 51.591 5.774 13.516 1.00 37.51 ? 175 VAL A O 1 +ATOM 1277 C CB . VAL A 1 175 ? 53.082 6.131 10.561 1.00 42.35 ? 175 VAL A CB 1 +ATOM 1278 C CG1 . VAL A 1 175 ? 53.732 4.785 10.299 1.00 50.10 ? 175 VAL A CG1 1 +ATOM 1279 C CG2 . VAL A 1 175 ? 51.600 6.067 10.228 1.00 37.94 ? 175 VAL A CG2 1 +ATOM 1280 N N . TYR A 1 176 ? 53.519 4.595 13.476 1.00 24.72 ? 176 TYR A N 1 +ATOM 1281 C CA . TYR A 1 176 ? 52.973 3.683 14.458 1.00 28.57 ? 176 TYR A CA 1 +ATOM 1282 C C . TYR A 1 176 ? 52.573 4.437 15.708 1.00 26.34 ? 176 TYR A C 1 +ATOM 1283 O O . TYR A 1 176 ? 51.497 4.255 16.295 1.00 18.46 ? 176 TYR A O 1 +ATOM 1284 C CB . TYR A 1 176 ? 53.900 2.483 14.796 1.00 33.20 ? 176 TYR A CB 1 +ATOM 1285 C CG . TYR A 1 176 ? 53.328 1.665 15.948 1.00 46.67 ? 176 TYR A CG 1 +ATOM 1286 C CD1 . TYR A 1 176 ? 52.092 1.029 15.811 1.00 53.55 ? 176 TYR A CD1 1 +ATOM 1287 C CD2 . TYR A 1 176 ? 53.980 1.574 17.184 1.00 52.25 ? 176 TYR A CD2 1 +ATOM 1288 C CE1 . TYR A 1 176 ? 51.545 0.313 16.874 1.00 69.01 ? 176 TYR A CE1 1 +ATOM 1289 C CE2 . TYR A 1 176 ? 53.446 0.871 18.266 1.00 47.19 ? 176 TYR A CE2 1 +ATOM 1290 C CZ . TYR A 1 176 ? 52.226 0.222 18.086 1.00 50.43 ? 176 TYR A CZ 1 +ATOM 1291 O OH . TYR A 1 176 ? 51.651 -0.501 19.078 1.00 41.99 ? 176 TYR A OH 1 +ATOM 1292 N N . HIS A 1 177 ? 53.491 5.293 16.124 1.00 27.22 ? 177 HIS A N 1 +ATOM 1293 C CA . HIS A 1 177 ? 53.236 6.048 17.301 1.00 16.84 ? 177 HIS A CA 1 +ATOM 1294 C C . HIS A 1 177 ? 51.991 6.877 17.151 1.00 23.71 ? 177 HIS A C 1 +ATOM 1295 O O . HIS A 1 177 ? 51.124 6.882 18.049 1.00 37.62 ? 177 HIS A O 1 +ATOM 1296 C CB . HIS A 1 177 ? 54.447 6.836 17.801 1.00 31.72 ? 177 HIS A CB 1 +ATOM 1297 C CG . HIS A 1 177 ? 55.417 5.915 18.481 1.00 43.33 ? 177 HIS A CG 1 +ATOM 1298 N ND1 . HIS A 1 177 ? 56.203 5.010 17.764 1.00 46.88 ? 177 HIS A ND1 1 +ATOM 1299 C CD2 . HIS A 1 177 ? 55.715 5.757 19.803 1.00 49.49 ? 177 HIS A CD2 1 +ATOM 1300 C CE1 . HIS A 1 177 ? 56.940 4.341 18.653 1.00 44.00 ? 177 HIS A CE1 1 +ATOM 1301 N NE2 . HIS A 1 177 ? 56.678 4.770 19.882 1.00 48.02 ? 177 HIS A NE2 1 +ATOM 1302 N N . LEU A 1 178 ? 51.849 7.534 16.009 1.00 17.79 ? 178 LEU A N 1 +ATOM 1303 C CA . LEU A 1 178 ? 50.652 8.334 15.819 1.00 17.69 ? 178 LEU A CA 1 +ATOM 1304 C C . LEU A 1 178 ? 49.356 7.547 15.867 1.00 17.75 ? 178 LEU A C 1 +ATOM 1305 O O . LEU A 1 178 ? 48.398 7.861 16.576 1.00 19.19 ? 178 LEU A O 1 +ATOM 1306 C CB . LEU A 1 178 ? 50.738 9.205 14.554 1.00 15.71 ? 178 LEU A CB 1 +ATOM 1307 C CG . LEU A 1 178 ? 51.761 10.272 14.840 1.00 29.71 ? 178 LEU A CG 1 +ATOM 1308 C CD1 . LEU A 1 178 ? 51.826 11.260 13.705 1.00 30.08 ? 178 LEU A CD1 1 +ATOM 1309 C CD2 . LEU A 1 178 ? 51.337 10.994 16.120 1.00 28.29 ? 178 LEU A CD2 1 +ATOM 1310 N N . ALA A 1 179 ? 49.331 6.531 15.035 1.00 18.57 ? 179 ALA A N 1 +ATOM 1311 C CA . ALA A 1 179 ? 48.178 5.671 14.904 1.00 22.48 ? 179 ALA A CA 1 +ATOM 1312 C C . ALA A 1 179 ? 47.719 5.106 16.254 1.00 29.87 ? 179 ALA A C 1 +ATOM 1313 O O . ALA A 1 179 ? 46.556 5.196 16.633 1.00 36.43 ? 179 ALA A O 1 +ATOM 1314 C CB . ALA A 1 179 ? 48.497 4.567 13.880 1.00 10.66 ? 179 ALA A CB 1 +ATOM 1315 N N . ASN A 1 180 ? 48.661 4.514 16.991 1.00 16.99 ? 180 ASN A N 1 +ATOM 1316 C CA . ASN A 1 180 ? 48.352 3.939 18.267 1.00 25.55 ? 180 ASN A CA 1 +ATOM 1317 C C . ASN A 1 180 ? 47.668 4.933 19.191 1.00 27.84 ? 180 ASN A C 1 +ATOM 1318 O O . ASN A 1 180 ? 46.639 4.679 19.805 1.00 21.10 ? 180 ASN A O 1 +ATOM 1319 C CB . ASN A 1 180 ? 49.635 3.314 18.894 1.00 18.02 ? 180 ASN A CB 1 +ATOM 1320 C CG . ASN A 1 180 ? 49.347 2.663 20.253 1.00 74.61 ? 180 ASN A CG 1 +ATOM 1321 O OD1 . ASN A 1 180 ? 48.500 1.753 20.398 1.00 46.03 ? 180 ASN A OD1 1 +ATOM 1322 N ND2 . ASN A 1 180 ? 50.043 3.164 21.276 1.00 82.66 ? 180 ASN A ND2 1 +ATOM 1323 N N . MET A 1 181 ? 48.267 6.097 19.263 1.00 17.58 ? 181 MET A N 1 +ATOM 1324 C CA . MET A 1 181 ? 47.746 7.131 20.116 1.00 15.33 ? 181 MET A CA 1 +ATOM 1325 C C . MET A 1 181 ? 46.332 7.490 19.740 1.00 21.62 ? 181 MET A C 1 +ATOM 1326 O O . MET A 1 181 ? 45.428 7.534 20.567 1.00 35.83 ? 181 MET A O 1 +ATOM 1327 C CB . MET A 1 181 ? 48.675 8.345 19.951 1.00 20.47 ? 181 MET A CB 1 +ATOM 1328 C CG . MET A 1 181 ? 48.102 9.609 20.533 1.00 30.02 ? 181 MET A CG 1 +ATOM 1329 S SD . MET A 1 181 ? 49.220 11.027 20.273 1.00 30.69 ? 181 MET A SD 1 +ATOM 1330 C CE . MET A 1 181 ? 48.962 11.326 18.534 1.00 41.36 ? 181 MET A CE 1 +ATOM 1331 N N . ALA A 1 182 ? 46.133 7.790 18.483 1.00 21.15 ? 182 ALA A N 1 +ATOM 1332 C CA . ALA A 1 182 ? 44.773 8.118 18.080 1.00 18.02 ? 182 ALA A CA 1 +ATOM 1333 C C . ALA A 1 182 ? 43.791 6.973 18.350 1.00 18.79 ? 182 ALA A C 1 +ATOM 1334 O O . ALA A 1 182 ? 42.604 7.158 18.619 1.00 15.73 ? 182 ALA A O 1 +ATOM 1335 C CB . ALA A 1 182 ? 44.805 8.396 16.577 1.00 21.82 ? 182 ALA A CB 1 +ATOM 1336 N N . ALA A 1 183 ? 44.308 5.750 18.242 1.00 21.17 ? 183 ALA A N 1 +ATOM 1337 C CA . ALA A 1 183 ? 43.469 4.573 18.428 1.00 19.09 ? 183 ALA A CA 1 +ATOM 1338 C C . ALA A 1 183 ? 42.987 4.434 19.842 1.00 20.92 ? 183 ALA A C 1 +ATOM 1339 O O . ALA A 1 183 ? 41.841 4.039 20.161 1.00 20.76 ? 183 ALA A O 1 +ATOM 1340 C CB . ALA A 1 183 ? 44.187 3.314 17.966 1.00 13.17 ? 183 ALA A CB 1 +ATOM 1341 N N . GLU A 1 184 ? 43.962 4.788 20.674 1.00 13.19 ? 184 GLU A N 1 +ATOM 1342 C CA . GLU A 1 184 ? 43.791 4.748 22.087 1.00 12.21 ? 184 GLU A CA 1 +ATOM 1343 C C . GLU A 1 184 ? 42.760 5.740 22.510 1.00 14.07 ? 184 GLU A C 1 +ATOM 1344 O O . GLU A 1 184 ? 41.888 5.409 23.330 1.00 23.00 ? 184 GLU A O 1 +ATOM 1345 C CB . GLU A 1 184 ? 45.095 5.044 22.797 1.00 13.25 ? 184 GLU A CB 1 +ATOM 1346 C CG . GLU A 1 184 ? 45.910 3.720 22.902 1.00 15.96 ? 184 GLU A CG 1 +ATOM 1347 C CD . GLU A 1 184 ? 46.682 3.571 24.194 1.00 23.58 ? 184 GLU A CD 1 +ATOM 1348 O OE1 . GLU A 1 184 ? 46.773 4.411 25.082 1.00 28.12 ? 184 GLU A OE1 1 +ATOM 1349 O OE2 . GLU A 1 184 ? 47.265 2.426 24.245 1.00 21.51 ? 184 GLU A OE2 1 +ATOM 1350 N N . SER A 1 185 ? 42.898 6.925 21.916 1.00 18.08 ? 185 SER A N 1 +ATOM 1351 C CA . SER A 1 185 ? 41.991 8.025 22.196 1.00 14.53 ? 185 SER A CA 1 +ATOM 1352 C C . SER A 1 185 ? 40.616 7.652 21.741 1.00 21.47 ? 185 SER A C 1 +ATOM 1353 O O . SER A 1 185 ? 39.631 7.939 22.440 1.00 20.34 ? 185 SER A O 1 +ATOM 1354 C CB . SER A 1 185 ? 42.364 9.338 21.559 1.00 8.85 ? 185 SER A CB 1 +ATOM 1355 O OG . SER A 1 185 ? 41.529 10.360 22.096 1.00 12.32 ? 185 SER A OG 1 +ATOM 1356 N N . ARG A 1 186 ? 40.614 7.024 20.564 1.00 18.99 ? 186 ARG A N 1 +ATOM 1357 C CA . ARG A 1 186 ? 39.391 6.613 19.977 1.00 19.64 ? 186 ARG A CA 1 +ATOM 1358 C C . ARG A 1 186 ? 38.611 5.699 20.910 1.00 24.08 ? 186 ARG A C 1 +ATOM 1359 O O . ARG A 1 186 ? 37.435 5.893 21.219 1.00 22.69 ? 186 ARG A O 1 +ATOM 1360 C CB . ARG A 1 186 ? 39.646 5.887 18.685 1.00 17.52 ? 186 ARG A CB 1 +ATOM 1361 C CG . ARG A 1 186 ? 38.331 5.724 17.873 1.00 12.92 ? 186 ARG A CG 1 +ATOM 1362 C CD . ARG A 1 186 ? 37.355 4.665 18.404 1.00 35.01 ? 186 ARG A CD 1 +ATOM 1363 N NE . ARG A 1 186 ? 36.422 4.136 17.416 1.00 34.46 ? 186 ARG A NE 1 +ATOM 1364 C CZ . ARG A 1 186 ? 35.230 4.655 17.117 1.00 43.51 ? 186 ARG A CZ 1 +ATOM 1365 N NH1 . ARG A 1 186 ? 34.743 5.744 17.703 1.00 30.47 ? 186 ARG A NH1 1 +ATOM 1366 N NH2 . ARG A 1 186 ? 34.483 4.066 16.189 1.00 19.88 ? 186 ARG A NH2 1 +ATOM 1367 N N . VAL A 1 187 ? 39.304 4.656 21.312 1.00 19.97 ? 187 VAL A N 1 +ATOM 1368 C CA . VAL A 1 187 ? 38.730 3.687 22.172 1.00 15.95 ? 187 VAL A CA 1 +ATOM 1369 C C . VAL A 1 187 ? 38.398 4.209 23.557 1.00 33.18 ? 187 VAL A C 1 +ATOM 1370 O O . VAL A 1 187 ? 37.336 3.871 24.135 1.00 24.14 ? 187 VAL A O 1 +ATOM 1371 C CB . VAL A 1 187 ? 39.531 2.410 22.162 1.00 23.10 ? 187 VAL A CB 1 +ATOM 1372 C CG1 . VAL A 1 187 ? 38.884 1.397 23.114 1.00 12.18 ? 187 VAL A CG1 1 +ATOM 1373 C CG2 . VAL A 1 187 ? 39.568 1.878 20.718 1.00 24.23 ? 187 VAL A CG2 1 +ATOM 1374 N N . GLY A 1 188 ? 39.296 5.020 24.119 1.00 16.63 ? 188 GLY A N 1 +ATOM 1375 C CA . GLY A 1 188 ? 38.963 5.510 25.442 1.00 5.74 ? 188 GLY A CA 1 +ATOM 1376 C C . GLY A 1 188 ? 37.668 6.294 25.325 1.00 16.03 ? 188 GLY A C 1 +ATOM 1377 O O . GLY A 1 188 ? 36.813 6.288 26.193 1.00 18.59 ? 188 GLY A O 1 +ATOM 1378 N N . GLY A 1 189 ? 37.509 7.038 24.250 1.00 21.26 ? 189 GLY A N 1 +ATOM 1379 C CA . GLY A 1 189 ? 36.266 7.822 24.145 1.00 13.04 ? 189 GLY A CA 1 +ATOM 1380 C C . GLY A 1 189 ? 35.030 6.941 24.227 1.00 14.47 ? 189 GLY A C 1 +ATOM 1381 O O . GLY A 1 189 ? 34.053 7.265 24.893 1.00 15.32 ? 189 GLY A O 1 +ATOM 1382 N N . LEU A 1 190 ? 35.050 5.783 23.538 1.00 23.37 ? 190 LEU A N 1 +ATOM 1383 C CA . LEU A 1 190 ? 33.906 4.868 23.544 1.00 12.24 ? 190 LEU A CA 1 +ATOM 1384 C C . LEU A 1 190 ? 33.591 4.408 24.939 1.00 23.58 ? 190 LEU A C 1 +ATOM 1385 O O . LEU A 1 190 ? 32.453 4.387 25.391 1.00 17.54 ? 190 LEU A O 1 +ATOM 1386 C CB . LEU A 1 190 ? 34.120 3.616 22.655 1.00 18.76 ? 190 LEU A CB 1 +ATOM 1387 C CG . LEU A 1 190 ? 34.423 3.872 21.171 1.00 23.97 ? 190 LEU A CG 1 +ATOM 1388 C CD1 . LEU A 1 190 ? 34.933 2.604 20.530 1.00 18.39 ? 190 LEU A CD1 1 +ATOM 1389 C CD2 . LEU A 1 190 ? 33.146 4.207 20.411 1.00 19.03 ? 190 LEU A CD2 1 +ATOM 1390 N N . LEU A 1 191 ? 34.642 4.013 25.643 1.00 20.64 ? 191 LEU A N 1 +ATOM 1391 C CA . LEU A 1 191 ? 34.466 3.530 26.990 1.00 20.53 ? 191 LEU A CA 1 +ATOM 1392 C C . LEU A 1 191 ? 34.015 4.606 27.958 1.00 34.17 ? 191 LEU A C 1 +ATOM 1393 O O . LEU A 1 191 ? 33.227 4.328 28.864 1.00 22.61 ? 191 LEU A O 1 +ATOM 1394 C CB . LEU A 1 191 ? 35.765 2.912 27.566 1.00 18.52 ? 191 LEU A CB 1 +ATOM 1395 C CG . LEU A 1 191 ? 36.335 1.808 26.709 1.00 27.72 ? 191 LEU A CG 1 +ATOM 1396 C CD1 . LEU A 1 191 ? 37.593 1.240 27.377 1.00 19.96 ? 191 LEU A CD1 1 +ATOM 1397 C CD2 . LEU A 1 191 ? 35.293 0.705 26.479 1.00 36.48 ? 191 LEU A CD2 1 +ATOM 1398 N N . GLY A 1 192 ? 34.555 5.803 27.795 1.00 20.16 ? 192 GLY A N 1 +ATOM 1399 C CA . GLY A 1 192 ? 34.233 6.844 28.729 1.00 15.67 ? 192 GLY A CA 1 +ATOM 1400 C C . GLY A 1 192 ? 33.140 7.770 28.268 1.00 20.41 ? 192 GLY A C 1 +ATOM 1401 O O . GLY A 1 192 ? 32.793 8.754 28.944 1.00 18.71 ? 192 GLY A O 1 +ATOM 1402 N N . GLY A 1 193 ? 32.580 7.479 27.127 1.00 9.56 ? 193 GLY A N 1 +ATOM 1403 C CA . GLY A 1 193 ? 31.564 8.409 26.678 1.00 15.42 ? 193 GLY A CA 1 +ATOM 1404 C C . GLY A 1 193 ? 32.167 9.763 26.262 1.00 24.08 ? 193 GLY A C 1 +ATOM 1405 O O . GLY A 1 193 ? 31.600 10.842 26.458 1.00 29.19 ? 193 GLY A O 1 +ATOM 1406 N N . LYS A 1 194 ? 33.343 9.739 25.706 1.00 21.55 ? 194 LYS A N 1 +ATOM 1407 C CA . LYS A 1 194 ? 33.978 10.982 25.269 1.00 18.11 ? 194 LYS A CA 1 +ATOM 1408 C C . LYS A 1 194 ? 34.118 10.961 23.764 1.00 16.97 ? 194 LYS A C 1 +ATOM 1409 O O . LYS A 1 194 ? 34.061 9.911 23.114 1.00 25.62 ? 194 LYS A O 1 +ATOM 1410 C CB . LYS A 1 194 ? 35.417 11.113 25.842 1.00 6.87 ? 194 LYS A CB 1 +ATOM 1411 C CG . LYS A 1 194 ? 35.617 10.568 27.252 1.00 39.75 ? 194 LYS A CG 1 +ATOM 1412 C CD . LYS A 1 194 ? 34.960 11.406 28.340 1.00 24.67 ? 194 LYS A CD 1 +ATOM 1413 C CE . LYS A 1 194 ? 35.290 10.926 29.751 1.00 14.24 ? 194 LYS A CE 1 +ATOM 1414 N NZ . LYS A 1 194 ? 36.735 10.896 30.087 1.00 15.76 ? 194 LYS A NZ 1 +ATOM 1415 N N . PRO A 1 195 ? 34.356 12.130 23.208 1.00 21.53 ? 195 PRO A N 1 +ATOM 1416 C CA . PRO A 1 195 ? 34.533 12.223 21.788 1.00 21.22 ? 195 PRO A CA 1 +ATOM 1417 C C . PRO A 1 195 ? 35.671 11.360 21.309 1.00 19.73 ? 195 PRO A C 1 +ATOM 1418 O O . PRO A 1 195 ? 35.623 10.875 20.220 1.00 25.79 ? 195 PRO A O 1 +ATOM 1419 C CB . PRO A 1 195 ? 34.856 13.701 21.471 1.00 21.85 ? 195 PRO A CB 1 +ATOM 1420 C CG . PRO A 1 195 ? 34.756 14.462 22.768 1.00 18.39 ? 195 PRO A CG 1 +ATOM 1421 C CD . PRO A 1 195 ? 34.209 13.479 23.795 1.00 18.75 ? 195 PRO A CD 1 +ATOM 1422 N N . GLY A 1 196 ? 36.729 11.228 22.083 1.00 7.77 ? 196 GLY A N 1 +ATOM 1423 C CA . GLY A 1 196 ? 37.846 10.431 21.691 1.00 18.40 ? 196 GLY A CA 1 +ATOM 1424 C C . GLY A 1 196 ? 38.624 11.006 20.525 1.00 19.86 ? 196 GLY A C 1 +ATOM 1425 O O . GLY A 1 196 ? 39.089 10.274 19.626 1.00 16.66 ? 196 GLY A O 1 +ATOM 1426 N N . VAL A 1 197 ? 38.786 12.312 20.532 1.00 17.75 ? 197 VAL A N 1 +ATOM 1427 C CA . VAL A 1 197 ? 39.508 12.910 19.418 1.00 15.96 ? 197 VAL A CA 1 +ATOM 1428 C C . VAL A 1 197 ? 40.992 13.039 19.619 1.00 26.21 ? 197 VAL A C 1 +ATOM 1429 O O . VAL A 1 197 ? 41.534 12.950 20.729 1.00 21.11 ? 197 VAL A O 1 +ATOM 1430 C CB . VAL A 1 197 ? 38.953 14.283 19.082 1.00 17.84 ? 197 VAL A CB 1 +ATOM 1431 C CG1 . VAL A 1 197 ? 37.448 14.200 18.876 1.00 14.31 ? 197 VAL A CG1 1 +ATOM 1432 C CG2 . VAL A 1 197 ? 39.235 15.151 20.299 1.00 17.79 ? 197 VAL A CG2 1 +ATOM 1433 N N . THR A 1 198 ? 41.619 13.297 18.500 1.00 23.70 ? 198 THR A N 1 +ATOM 1434 C CA . THR A 1 198 ? 43.045 13.501 18.450 1.00 33.84 ? 198 THR A CA 1 +ATOM 1435 C C . THR A 1 198 ? 43.239 14.807 17.722 1.00 28.69 ? 198 THR A C 1 +ATOM 1436 O O . THR A 1 198 ? 42.785 14.931 16.595 1.00 23.51 ? 198 THR A O 1 +ATOM 1437 C CB . THR A 1 198 ? 43.724 12.382 17.657 1.00 20.75 ? 198 THR A CB 1 +ATOM 1438 O OG1 . THR A 1 198 ? 43.381 11.158 18.277 1.00 17.41 ? 198 THR A OG1 1 +ATOM 1439 C CG2 . THR A 1 198 ? 45.224 12.570 17.678 1.00 21.73 ? 198 THR A CG2 1 +ATOM 1440 N N . VAL A 1 199 ? 43.848 15.770 18.397 1.00 13.11 ? 199 VAL A N 1 +ATOM 1441 C CA . VAL A 1 199 ? 44.076 17.086 17.831 1.00 17.32 ? 199 VAL A CA 1 +ATOM 1442 C C . VAL A 1 199 ? 45.535 17.232 17.387 1.00 21.44 ? 199 VAL A C 1 +ATOM 1443 O O . VAL A 1 199 ? 46.467 17.079 18.180 1.00 22.24 ? 199 VAL A O 1 +ATOM 1444 C CB . VAL A 1 199 ? 43.667 18.131 18.873 1.00 17.21 ? 199 VAL A CB 1 +ATOM 1445 C CG1 . VAL A 1 199 ? 43.985 19.535 18.396 1.00 17.45 ? 199 VAL A CG1 1 +ATOM 1446 C CG2 . VAL A 1 199 ? 42.167 18.041 19.141 1.00 20.21 ? 199 VAL A CG2 1 +ATOM 1447 N N . PHE A 1 200 ? 45.736 17.534 16.116 1.00 25.05 ? 200 PHE A N 1 +ATOM 1448 C CA . PHE A 1 200 ? 47.099 17.688 15.594 1.00 28.61 ? 200 PHE A CA 1 +ATOM 1449 C C . PHE A 1 200 ? 47.503 19.125 15.494 1.00 24.24 ? 200 PHE A C 1 +ATOM 1450 O O . PHE A 1 200 ? 46.871 19.884 14.750 1.00 22.54 ? 200 PHE A O 1 +ATOM 1451 C CB . PHE A 1 200 ? 47.225 17.147 14.163 1.00 31.79 ? 200 PHE A CB 1 +ATOM 1452 C CG . PHE A 1 200 ? 46.832 15.714 14.111 1.00 35.03 ? 200 PHE A CG 1 +ATOM 1453 C CD1 . PHE A 1 200 ? 45.501 15.304 14.082 1.00 33.54 ? 200 PHE A CD1 1 +ATOM 1454 C CD2 . PHE A 1 200 ? 47.840 14.746 14.232 1.00 37.69 ? 200 PHE A CD2 1 +ATOM 1455 C CE1 . PHE A 1 200 ? 45.169 13.947 14.124 1.00 28.96 ? 200 PHE A CE1 1 +ATOM 1456 C CE2 . PHE A 1 200 ? 47.519 13.391 14.195 1.00 38.24 ? 200 PHE A CE2 1 +ATOM 1457 C CZ . PHE A 1 200 ? 46.181 12.990 14.160 1.00 29.98 ? 200 PHE A CZ 1 +ATOM 1458 N N . HIS A 1 201 ? 48.564 19.492 16.211 1.00 26.73 ? 201 HIS A N 1 +ATOM 1459 C CA . HIS A 1 201 ? 49.066 20.851 16.094 1.00 31.93 ? 201 HIS A CA 1 +ATOM 1460 C C . HIS A 1 201 ? 49.860 20.841 14.807 1.00 31.77 ? 201 HIS A C 1 +ATOM 1461 O O . HIS A 1 201 ? 50.736 20.007 14.677 1.00 18.30 ? 201 HIS A O 1 +ATOM 1462 C CB . HIS A 1 201 ? 50.014 21.275 17.232 1.00 21.51 ? 201 HIS A CB 1 +ATOM 1463 C CG . HIS A 1 201 ? 51.051 22.235 16.757 1.00 22.46 ? 201 HIS A CG 1 +ATOM 1464 N ND1 . HIS A 1 201 ? 50.909 23.596 16.958 1.00 36.21 ? 201 HIS A ND1 1 +ATOM 1465 C CD2 . HIS A 1 201 ? 52.258 22.060 16.104 1.00 36.96 ? 201 HIS A CD2 1 +ATOM 1466 C CE1 . HIS A 1 201 ? 51.990 24.222 16.443 1.00 29.04 ? 201 HIS A CE1 1 +ATOM 1467 N NE2 . HIS A 1 201 ? 52.826 23.327 15.930 1.00 33.62 ? 201 HIS A NE2 1 +ATOM 1468 N N . MET A 1 202 ? 49.575 21.746 13.874 1.00 33.90 ? 202 MET A N 1 +ATOM 1469 C CA . MET A 1 202 ? 50.292 21.755 12.592 1.00 27.37 ? 202 MET A CA 1 +ATOM 1470 C C . MET A 1 202 ? 51.427 22.741 12.637 1.00 28.01 ? 202 MET A C 1 +ATOM 1471 O O . MET A 1 202 ? 51.239 23.824 13.190 1.00 19.55 ? 202 MET A O 1 +ATOM 1472 C CB . MET A 1 202 ? 49.350 22.186 11.459 1.00 17.60 ? 202 MET A CB 1 +ATOM 1473 C CG . MET A 1 202 ? 48.222 21.205 11.339 1.00 21.35 ? 202 MET A CG 1 +ATOM 1474 S SD . MET A 1 202 ? 48.753 19.478 11.458 1.00 29.63 ? 202 MET A SD 1 +ATOM 1475 C CE . MET A 1 202 ? 49.892 19.483 10.041 1.00 16.62 ? 202 MET A CE 1 +ATOM 1476 N N . GLY A 1 203 ? 52.588 22.349 12.096 1.00 23.04 ? 203 GLY A N 1 +ATOM 1477 C CA . GLY A 1 203 ? 53.749 23.225 12.105 1.00 21.35 ? 203 GLY A CA 1 +ATOM 1478 C C . GLY A 1 203 ? 53.858 23.804 10.714 1.00 33.87 ? 203 GLY A C 1 +ATOM 1479 O O . GLY A 1 203 ? 52.896 23.712 9.968 1.00 36.73 ? 203 GLY A O 1 +ATOM 1480 N N . ASP A 1 204 ? 55.023 24.342 10.354 1.00 27.58 ? 204 ASP A N 1 +ATOM 1481 C CA . ASP A 1 204 ? 55.220 24.898 9.029 1.00 28.36 ? 204 ASP A CA 1 +ATOM 1482 C C . ASP A 1 204 ? 56.066 24.008 8.172 1.00 35.71 ? 204 ASP A C 1 +ATOM 1483 O O . ASP A 1 204 ? 56.776 24.530 7.329 1.00 39.33 ? 204 ASP A O 1 +ATOM 1484 C CB . ASP A 1 204 ? 55.873 26.284 9.014 1.00 24.38 ? 204 ASP A CB 1 +ATOM 1485 C CG . ASP A 1 204 ? 54.889 27.341 9.396 1.00 54.32 ? 204 ASP A CG 1 +ATOM 1486 O OD1 . ASP A 1 204 ? 53.764 27.354 8.937 1.00 39.37 ? 204 ASP A OD1 1 +ATOM 1487 O OD2 . ASP A 1 204 ? 55.358 28.195 10.278 1.00 55.26 ? 204 ASP A OD2 1 +ATOM 1488 N N . SER A 1 205 ? 56.016 22.695 8.396 1.00 26.61 ? 205 SER A N 1 +ATOM 1489 C CA . SER A 1 205 ? 56.820 21.817 7.569 1.00 26.03 ? 205 SER A CA 1 +ATOM 1490 C C . SER A 1 205 ? 56.147 21.536 6.238 1.00 30.96 ? 205 SER A C 1 +ATOM 1491 O O . SER A 1 205 ? 54.927 21.538 6.166 1.00 29.22 ? 205 SER A O 1 +ATOM 1492 C CB . SER A 1 205 ? 57.201 20.521 8.256 1.00 37.85 ? 205 SER A CB 1 +ATOM 1493 O OG . SER A 1 205 ? 57.440 19.508 7.280 1.00 31.94 ? 205 SER A OG 1 +ATOM 1494 N N . LYS A 1 206 ? 56.945 21.264 5.200 1.00 26.84 ? 206 LYS A N 1 +ATOM 1495 C CA . LYS A 1 206 ? 56.445 20.970 3.871 1.00 28.80 ? 206 LYS A CA 1 +ATOM 1496 C C . LYS A 1 206 ? 55.614 19.708 3.814 1.00 43.46 ? 206 LYS A C 1 +ATOM 1497 O O . LYS A 1 206 ? 54.766 19.540 2.947 1.00 47.30 ? 206 LYS A O 1 +ATOM 1498 C CB . LYS A 1 206 ? 57.578 20.803 2.882 1.00 40.48 ? 206 LYS A CB 1 +ATOM 1499 C CG . LYS A 1 206 ? 58.257 22.082 2.455 1.00 94.34 ? 206 LYS A CG 1 +ATOM 1500 C CD . LYS A 1 206 ? 59.717 21.868 2.025 1.00 100.00 ? 206 LYS A CD 1 +ATOM 1501 C CE . LYS A 1 206 ? 60.264 22.838 0.994 1.00 100.00 ? 206 LYS A CE 1 +ATOM 1502 N NZ . LYS A 1 206 ? 61.579 22.463 0.484 1.00 100.00 ? 206 LYS A NZ 1 +ATOM 1503 N N . LYS A 1 207 ? 55.879 18.775 4.709 1.00 41.54 ? 207 LYS A N 1 +ATOM 1504 C CA . LYS A 1 207 ? 55.106 17.553 4.694 1.00 39.97 ? 207 LYS A CA 1 +ATOM 1505 C C . LYS A 1 207 ? 53.598 17.811 4.990 1.00 30.55 ? 207 LYS A C 1 +ATOM 1506 O O . LYS A 1 207 ? 52.705 16.991 4.718 1.00 43.12 ? 207 LYS A O 1 +ATOM 1507 C CB . LYS A 1 207 ? 55.719 16.510 5.636 1.00 40.05 ? 207 LYS A CB 1 +ATOM 1508 C CG . LYS A 1 207 ? 57.239 16.515 5.660 1.00 100.00 ? 207 LYS A CG 1 +ATOM 1509 C CD . LYS A 1 207 ? 57.836 16.630 7.066 1.00 100.00 ? 207 LYS A CD 1 +ATOM 1510 C CE . LYS A 1 207 ? 59.112 15.781 7.272 1.00 100.00 ? 207 LYS A CE 1 +ATOM 1511 N NZ . LYS A 1 207 ? 58.913 14.614 8.085 1.00 100.00 ? 207 LYS A NZ 1 +ATOM 1512 N N . ALA A 1 208 ? 53.304 18.967 5.556 1.00 23.17 ? 208 ALA A N 1 +ATOM 1513 C CA . ALA A 1 208 ? 51.936 19.342 5.880 1.00 24.55 ? 208 ALA A CA 1 +ATOM 1514 C C . ALA A 1 208 ? 51.051 18.233 6.479 1.00 35.30 ? 208 ALA A C 1 +ATOM 1515 O O . ALA A 1 208 ? 51.314 17.788 7.594 1.00 39.24 ? 208 ALA A O 1 +ATOM 1516 C CB . ALA A 1 208 ? 51.341 20.186 4.754 1.00 25.04 ? 208 ALA A CB 1 +ATOM 1517 N N . LEU A 1 209 ? 49.985 17.764 5.794 1.00 31.31 ? 209 LEU A N 1 +ATOM 1518 C CA . LEU A 1 209 ? 49.072 16.758 6.359 1.00 26.67 ? 209 LEU A CA 1 +ATOM 1519 C C . LEU A 1 209 ? 49.376 15.315 6.127 1.00 29.74 ? 209 LEU A C 1 +ATOM 1520 O O . LEU A 1 209 ? 48.585 14.446 6.503 1.00 31.77 ? 209 LEU A O 1 +ATOM 1521 C CB . LEU A 1 209 ? 47.645 16.944 5.868 1.00 27.55 ? 209 LEU A CB 1 +ATOM 1522 C CG . LEU A 1 209 ? 47.038 18.233 6.357 1.00 30.33 ? 209 LEU A CG 1 +ATOM 1523 C CD1 . LEU A 1 209 ? 45.608 18.371 5.825 1.00 30.21 ? 209 LEU A CD1 1 +ATOM 1524 C CD2 . LEU A 1 209 ? 47.054 18.169 7.865 1.00 41.41 ? 209 LEU A CD2 1 +ATOM 1525 N N . GLN A 1 210 ? 50.478 15.081 5.472 1.00 33.39 ? 210 GLN A N 1 +ATOM 1526 C CA . GLN A 1 210 ? 50.868 13.731 5.149 1.00 38.18 ? 210 GLN A CA 1 +ATOM 1527 C C . GLN A 1 210 ? 50.650 12.722 6.267 1.00 29.71 ? 210 GLN A C 1 +ATOM 1528 O O . GLN A 1 210 ? 49.982 11.694 6.095 1.00 27.14 ? 210 GLN A O 1 +ATOM 1529 C CB . GLN A 1 210 ? 52.329 13.678 4.638 1.00 43.83 ? 210 GLN A CB 1 +ATOM 1530 C CG . GLN A 1 210 ? 52.495 12.960 3.286 1.00 77.23 ? 210 GLN A CG 1 +ATOM 1531 C CD . GLN A 1 210 ? 51.292 12.114 2.917 1.00 59.12 ? 210 GLN A CD 1 +ATOM 1532 O OE1 . GLN A 1 210 ? 50.460 12.515 2.084 1.00 100.00 ? 210 GLN A OE1 1 +ATOM 1533 N NE2 . GLN A 1 210 ? 51.194 10.947 3.557 1.00 88.73 ? 210 GLN A NE2 1 +ATOM 1534 N N . PRO A 1 211 ? 51.272 13.029 7.411 1.00 31.94 ? 211 PRO A N 1 +ATOM 1535 C CA . PRO A 1 211 ? 51.227 12.165 8.561 1.00 25.41 ? 211 PRO A CA 1 +ATOM 1536 C C . PRO A 1 211 ? 49.813 11.767 8.891 1.00 31.56 ? 211 PRO A C 1 +ATOM 1537 O O . PRO A 1 211 ? 49.586 10.637 9.291 1.00 19.40 ? 211 PRO A O 1 +ATOM 1538 C CB . PRO A 1 211 ? 51.887 12.923 9.710 1.00 19.02 ? 211 PRO A CB 1 +ATOM 1539 C CG . PRO A 1 211 ? 52.437 14.223 9.148 1.00 33.76 ? 211 PRO A CG 1 +ATOM 1540 C CD . PRO A 1 211 ? 51.879 14.349 7.756 1.00 34.40 ? 211 PRO A CD 1 +ATOM 1541 N N . ILE A 1 212 ? 48.868 12.689 8.658 1.00 18.73 ? 212 ILE A N 1 +ATOM 1542 C CA . ILE A 1 212 ? 47.483 12.348 8.938 1.00 23.32 ? 212 ILE A CA 1 +ATOM 1543 C C . ILE A 1 212 ? 46.950 11.349 7.921 1.00 39.69 ? 212 ILE A C 1 +ATOM 1544 O O . ILE A 1 212 ? 46.130 10.461 8.204 1.00 38.87 ? 212 ILE A O 1 +ATOM 1545 C CB . ILE A 1 212 ? 46.589 13.575 9.103 1.00 24.82 ? 212 ILE A CB 1 +ATOM 1546 C CG1 . ILE A 1 212 ? 47.201 14.472 10.198 1.00 27.13 ? 212 ILE A CG1 1 +ATOM 1547 C CG2 . ILE A 1 212 ? 45.150 13.116 9.397 1.00 18.94 ? 212 ILE A CG2 1 +ATOM 1548 C CD1 . ILE A 1 212 ? 46.395 15.688 10.655 1.00 28.14 ? 212 ILE A CD1 1 +ATOM 1549 N N . TYR A 1 213 ? 47.454 11.486 6.719 1.00 30.81 ? 213 TYR A N 1 +ATOM 1550 C CA . TYR A 1 213 ? 47.008 10.578 5.678 1.00 33.69 ? 213 TYR A CA 1 +ATOM 1551 C C . TYR A 1 213 ? 47.556 9.190 5.802 1.00 30.74 ? 213 TYR A C 1 +ATOM 1552 O O . TYR A 1 213 ? 46.827 8.192 5.710 1.00 31.83 ? 213 TYR A O 1 +ATOM 1553 C CB . TYR A 1 213 ? 47.411 11.157 4.353 1.00 32.33 ? 213 TYR A CB 1 +ATOM 1554 C CG . TYR A 1 213 ? 46.475 12.274 3.979 1.00 31.42 ? 213 TYR A CG 1 +ATOM 1555 C CD1 . TYR A 1 213 ? 45.091 12.122 3.971 1.00 27.41 ? 213 TYR A CD1 1 +ATOM 1556 C CD2 . TYR A 1 213 ? 47.004 13.497 3.573 1.00 35.78 ? 213 TYR A CD2 1 +ATOM 1557 C CE1 . TYR A 1 213 ? 44.259 13.169 3.568 1.00 42.77 ? 213 TYR A CE1 1 +ATOM 1558 C CE2 . TYR A 1 213 ? 46.188 14.546 3.170 1.00 28.35 ? 213 TYR A CE2 1 +ATOM 1559 C CZ . TYR A 1 213 ? 44.802 14.394 3.170 1.00 50.92 ? 213 TYR A CZ 1 +ATOM 1560 O OH . TYR A 1 213 ? 43.983 15.445 2.747 1.00 49.89 ? 213 TYR A OH 1 +ATOM 1561 N N . ASP A 1 214 ? 48.857 9.148 6.028 1.00 31.23 ? 214 ASP A N 1 +ATOM 1562 C CA . ASP A 1 214 ? 49.541 7.890 6.263 1.00 35.57 ? 214 ASP A CA 1 +ATOM 1563 C C . ASP A 1 214 ? 48.762 7.154 7.353 1.00 34.50 ? 214 ASP A C 1 +ATOM 1564 O O . ASP A 1 214 ? 48.313 5.999 7.213 1.00 32.92 ? 214 ASP A O 1 +ATOM 1565 C CB . ASP A 1 214 ? 50.987 8.159 6.743 1.00 36.79 ? 214 ASP A CB 1 +ATOM 1566 C CG . ASP A 1 214 ? 51.883 8.767 5.689 1.00 53.77 ? 214 ASP A CG 1 +ATOM 1567 O OD1 . ASP A 1 214 ? 51.657 8.655 4.499 1.00 56.53 ? 214 ASP A OD1 1 +ATOM 1568 O OD2 . ASP A 1 214 ? 52.901 9.438 6.175 1.00 60.79 ? 214 ASP A OD2 1 +ATOM 1569 N N . LEU A 1 215 ? 48.581 7.869 8.440 1.00 23.81 ? 215 LEU A N 1 +ATOM 1570 C CA . LEU A 1 215 ? 47.872 7.387 9.591 1.00 30.61 ? 215 LEU A CA 1 +ATOM 1571 C C . LEU A 1 215 ? 46.591 6.700 9.183 1.00 27.79 ? 215 LEU A C 1 +ATOM 1572 O O . LEU A 1 215 ? 46.269 5.586 9.608 1.00 25.72 ? 215 LEU A O 1 +ATOM 1573 C CB . LEU A 1 215 ? 47.543 8.597 10.462 1.00 31.30 ? 215 LEU A CB 1 +ATOM 1574 C CG . LEU A 1 215 ? 47.014 8.194 11.830 1.00 29.85 ? 215 LEU A CG 1 +ATOM 1575 C CD1 . LEU A 1 215 ? 47.367 9.282 12.863 1.00 27.93 ? 215 LEU A CD1 1 +ATOM 1576 C CD2 . LEU A 1 215 ? 45.512 7.941 11.689 1.00 32.02 ? 215 LEU A CD2 1 +ATOM 1577 N N . LEU A 1 216 ? 45.859 7.424 8.362 1.00 29.07 ? 216 LEU A N 1 +ATOM 1578 C CA . LEU A 1 216 ? 44.603 6.934 7.887 1.00 27.09 ? 216 LEU A CA 1 +ATOM 1579 C C . LEU A 1 216 ? 44.723 5.560 7.265 1.00 40.13 ? 216 LEU A C 1 +ATOM 1580 O O . LEU A 1 216 ? 43.872 4.695 7.466 1.00 48.98 ? 216 LEU A O 1 +ATOM 1581 C CB . LEU A 1 216 ? 43.880 7.957 7.015 1.00 23.12 ? 216 LEU A CB 1 +ATOM 1582 C CG . LEU A 1 216 ? 43.248 9.072 7.848 1.00 43.80 ? 216 LEU A CG 1 +ATOM 1583 C CD1 . LEU A 1 216 ? 42.429 10.034 6.970 1.00 40.97 ? 216 LEU A CD1 1 +ATOM 1584 C CD2 . LEU A 1 216 ? 42.336 8.465 8.912 1.00 53.02 ? 216 LEU A CD2 1 +ATOM 1585 N N . GLU A 1 217 ? 45.801 5.350 6.535 1.00 39.25 ? 217 GLU A N 1 +ATOM 1586 C CA . GLU A 1 217 ? 46.014 4.048 5.930 1.00 38.74 ? 217 GLU A CA 1 +ATOM 1587 C C . GLU A 1 217 ? 46.550 3.002 6.885 1.00 50.74 ? 217 GLU A C 1 +ATOM 1588 O O . GLU A 1 217 ? 46.562 1.826 6.554 1.00 56.23 ? 217 GLU A O 1 +ATOM 1589 C CB . GLU A 1 217 ? 47.046 4.147 4.835 1.00 39.67 ? 217 GLU A CB 1 +ATOM 1590 C CG . GLU A 1 217 ? 46.448 4.896 3.651 1.00 95.05 ? 217 GLU A CG 1 +ATOM 1591 C CD . GLU A 1 217 ? 47.469 5.719 2.953 1.00 100.00 ? 217 GLU A CD 1 +ATOM 1592 O OE1 . GLU A 1 217 ? 48.674 5.418 2.957 1.00 99.71 ? 217 GLU A OE1 1 +ATOM 1593 O OE2 . GLU A 1 217 ? 46.922 6.784 2.395 1.00 100.00 ? 217 GLU A OE2 1 +ATOM 1594 N N . ASN A 1 218 ? 47.016 3.445 8.050 1.00 43.31 ? 218 ASN A N 1 +ATOM 1595 C CA . ASN A 1 218 ? 47.581 2.534 9.019 1.00 39.00 ? 218 ASN A CA 1 +ATOM 1596 C C . ASN A 1 218 ? 46.722 2.307 10.226 1.00 39.58 ? 218 ASN A C 1 +ATOM 1597 O O . ASN A 1 218 ? 47.199 1.804 11.240 1.00 51.61 ? 218 ASN A O 1 +ATOM 1598 C CB . ASN A 1 218 ? 49.008 2.924 9.394 1.00 43.46 ? 218 ASN A CB 1 +ATOM 1599 C CG . ASN A 1 218 ? 49.917 2.508 8.258 1.00 97.66 ? 218 ASN A CG 1 +ATOM 1600 O OD1 . ASN A 1 218 ? 50.581 1.467 8.340 1.00 34.17 ? 218 ASN A OD1 1 +ATOM 1601 N ND2 . ASN A 1 218 ? 49.873 3.270 7.156 1.00 49.02 ? 218 ASN A ND2 1 +ATOM 1602 N N . CYS A 1 219 ? 45.450 2.634 10.116 1.00 39.61 ? 219 CYS A N 1 +ATOM 1603 C CA . CYS A 1 219 ? 44.520 2.432 11.202 1.00 36.05 ? 219 CYS A CA 1 +ATOM 1604 C C . CYS A 1 219 ? 43.070 2.639 10.756 1.00 42.23 ? 219 CYS A C 1 +ATOM 1605 O O . CYS A 1 219 ? 42.806 3.167 9.672 1.00 41.36 ? 219 CYS A O 1 +ATOM 1606 C CB . CYS A 1 219 ? 44.910 3.206 12.487 1.00 32.84 ? 219 CYS A CB 1 +ATOM 1607 S SG . CYS A 1 219 ? 44.399 4.948 12.382 1.00 36.66 ? 219 CYS A SG 1 +ATOM 1608 N N . ASP A 1 220 ? 42.139 2.205 11.613 1.00 27.76 ? 220 ASP A N 1 +ATOM 1609 C CA . ASP A 1 220 ? 40.730 2.274 11.340 1.00 25.28 ? 220 ASP A CA 1 +ATOM 1610 C C . ASP A 1 220 ? 40.038 3.340 12.155 1.00 29.55 ? 220 ASP A C 1 +ATOM 1611 O O . ASP A 1 220 ? 38.854 3.255 12.510 1.00 41.40 ? 220 ASP A O 1 +ATOM 1612 C CB . ASP A 1 220 ? 40.055 0.894 11.441 1.00 42.61 ? 220 ASP A CB 1 +ATOM 1613 C CG . ASP A 1 220 ? 40.393 0.004 10.266 1.00 39.16 ? 220 ASP A CG 1 +ATOM 1614 O OD1 . ASP A 1 220 ? 39.901 0.150 9.159 1.00 44.27 ? 220 ASP A OD1 1 +ATOM 1615 O OD2 . ASP A 1 220 ? 41.265 -0.940 10.564 1.00 40.67 ? 220 ASP A OD2 1 +ATOM 1616 N N . VAL A 1 221 ? 40.815 4.358 12.459 1.00 14.34 ? 221 VAL A N 1 +ATOM 1617 C CA . VAL A 1 221 ? 40.241 5.497 13.160 1.00 29.76 ? 221 VAL A CA 1 +ATOM 1618 C C . VAL A 1 221 ? 39.510 6.399 12.152 1.00 32.75 ? 221 VAL A C 1 +ATOM 1619 O O . VAL A 1 221 ? 40.089 6.867 11.139 1.00 25.29 ? 221 VAL A O 1 +ATOM 1620 C CB . VAL A 1 221 ? 41.272 6.316 13.951 1.00 33.52 ? 221 VAL A CB 1 +ATOM 1621 C CG1 . VAL A 1 221 ? 40.604 7.451 14.731 1.00 32.64 ? 221 VAL A CG1 1 +ATOM 1622 C CG2 . VAL A 1 221 ? 42.083 5.436 14.880 1.00 20.11 ? 221 VAL A CG2 1 +ATOM 1623 N N . PRO A 1 222 ? 38.239 6.645 12.447 1.00 23.15 ? 222 PRO A N 1 +ATOM 1624 C CA . PRO A 1 222 ? 37.409 7.489 11.600 1.00 27.92 ? 222 PRO A CA 1 +ATOM 1625 C C . PRO A 1 222 ? 37.986 8.878 11.398 1.00 29.43 ? 222 PRO A C 1 +ATOM 1626 O O . PRO A 1 222 ? 38.472 9.535 12.326 1.00 37.31 ? 222 PRO A O 1 +ATOM 1627 C CB . PRO A 1 222 ? 36.037 7.540 12.265 1.00 33.08 ? 222 PRO A CB 1 +ATOM 1628 C CG . PRO A 1 222 ? 36.015 6.481 13.365 1.00 21.35 ? 222 PRO A CG 1 +ATOM 1629 C CD . PRO A 1 222 ? 37.463 6.062 13.579 1.00 25.16 ? 222 PRO A CD 1 +ATOM 1630 N N . ILE A 1 223 ? 37.939 9.330 10.159 1.00 18.54 ? 223 ILE A N 1 +ATOM 1631 C CA . ILE A 1 223 ? 38.457 10.648 9.851 1.00 17.60 ? 223 ILE A CA 1 +ATOM 1632 C C . ILE A 1 223 ? 37.746 11.704 10.677 1.00 17.73 ? 223 ILE A C 1 +ATOM 1633 O O . ILE A 1 223 ? 38.296 12.780 10.946 1.00 30.03 ? 223 ILE A O 1 +ATOM 1634 C CB . ILE A 1 223 ? 38.311 10.958 8.372 1.00 24.51 ? 223 ILE A CB 1 +ATOM 1635 C CG1 . ILE A 1 223 ? 38.924 12.314 8.077 1.00 35.18 ? 223 ILE A CG1 1 +ATOM 1636 C CG2 . ILE A 1 223 ? 36.824 11.043 8.086 1.00 21.52 ? 223 ILE A CG2 1 +ATOM 1637 C CD1 . ILE A 1 223 ? 39.269 12.490 6.604 1.00 25.96 ? 223 ILE A CD1 1 +ATOM 1638 N N . SER A 1 224 ? 36.531 11.401 11.138 1.00 22.02 ? 224 SER A N 1 +ATOM 1639 C CA . SER A 1 224 ? 35.794 12.361 11.968 1.00 11.97 ? 224 SER A CA 1 +ATOM 1640 C C . SER A 1 224 ? 36.414 12.604 13.348 1.00 22.71 ? 224 SER A C 1 +ATOM 1641 O O . SER A 1 224 ? 35.975 13.503 14.057 1.00 31.28 ? 224 SER A O 1 +ATOM 1642 C CB . SER A 1 224 ? 34.377 11.916 12.199 1.00 26.15 ? 224 SER A CB 1 +ATOM 1643 O OG . SER A 1 224 ? 34.370 10.589 12.677 1.00 32.30 ? 224 SER A OG 1 +ATOM 1644 N N . LYS A 1 225 ? 37.414 11.800 13.753 1.00 21.21 ? 225 LYS A N 1 +ATOM 1645 C CA . LYS A 1 225 ? 38.047 11.990 15.065 1.00 28.18 ? 225 LYS A CA 1 +ATOM 1646 C C . LYS A 1 225 ? 39.339 12.818 15.043 1.00 18.07 ? 225 LYS A C 1 +ATOM 1647 O O . LYS A 1 225 ? 39.986 13.143 16.060 1.00 20.78 ? 225 LYS A O 1 +ATOM 1648 C CB . LYS A 1 225 ? 38.306 10.635 15.705 1.00 34.38 ? 225 LYS A CB 1 +ATOM 1649 C CG . LYS A 1 225 ? 37.028 9.818 15.948 1.00 28.45 ? 225 LYS A CG 1 +ATOM 1650 C CD . LYS A 1 225 ? 36.120 10.463 16.998 1.00 44.17 ? 225 LYS A CD 1 +ATOM 1651 C CE . LYS A 1 225 ? 34.835 9.679 17.339 1.00 22.54 ? 225 LYS A CE 1 +ATOM 1652 N NZ . LYS A 1 225 ? 33.727 10.536 17.845 1.00 41.69 ? 225 LYS A NZ 1 +ATOM 1653 N N . LEU A 1 226 ? 39.742 13.174 13.840 1.00 18.69 ? 226 LEU A N 1 +ATOM 1654 C CA . LEU A 1 226 ? 41.000 13.868 13.647 1.00 19.98 ? 226 LEU A CA 1 +ATOM 1655 C C . LEU A 1 226 ? 40.921 15.334 13.407 1.00 29.14 ? 226 LEU A C 1 +ATOM 1656 O O . LEU A 1 226 ? 40.318 15.782 12.437 1.00 40.10 ? 226 LEU A O 1 +ATOM 1657 C CB . LEU A 1 226 ? 41.797 13.134 12.576 1.00 23.32 ? 226 LEU A CB 1 +ATOM 1658 C CG . LEU A 1 226 ? 41.549 11.630 12.686 1.00 30.37 ? 226 LEU A CG 1 +ATOM 1659 C CD1 . LEU A 1 226 ? 41.852 10.955 11.355 1.00 26.57 ? 226 LEU A CD1 1 +ATOM 1660 C CD2 . LEU A 1 226 ? 42.385 11.027 13.821 1.00 22.58 ? 226 LEU A CD2 1 +ATOM 1661 N N . LEU A 1 227 ? 41.553 16.090 14.289 1.00 22.56 ? 227 LEU A N 1 +ATOM 1662 C CA . LEU A 1 227 ? 41.486 17.528 14.126 1.00 18.38 ? 227 LEU A CA 1 +ATOM 1663 C C . LEU A 1 227 ? 42.827 18.221 13.946 1.00 26.81 ? 227 LEU A C 1 +ATOM 1664 O O . LEU A 1 227 ? 43.671 18.268 14.814 1.00 22.58 ? 227 LEU A O 1 +ATOM 1665 C CB . LEU A 1 227 ? 40.656 18.198 15.237 1.00 18.07 ? 227 LEU A CB 1 +ATOM 1666 C CG . LEU A 1 227 ? 40.458 19.696 15.043 1.00 22.23 ? 227 LEU A CG 1 +ATOM 1667 C CD1 . LEU A 1 227 ? 39.225 19.971 14.181 1.00 16.85 ? 227 LEU A CD1 1 +ATOM 1668 C CD2 . LEU A 1 227 ? 40.203 20.361 16.394 1.00 8.25 ? 227 LEU A CD2 1 +ATOM 1669 N N . PRO A 1 228 ? 42.996 18.792 12.776 1.00 27.73 ? 228 PRO A N 1 +ATOM 1670 C CA . PRO A 1 228 ? 44.177 19.548 12.483 1.00 19.24 ? 228 PRO A CA 1 +ATOM 1671 C C . PRO A 1 228 ? 43.872 20.990 12.863 1.00 26.51 ? 228 PRO A C 1 +ATOM 1672 O O . PRO A 1 228 ? 42.824 21.535 12.542 1.00 21.21 ? 228 PRO A O 1 +ATOM 1673 C CB . PRO A 1 228 ? 44.403 19.446 10.999 1.00 23.33 ? 228 PRO A CB 1 +ATOM 1674 C CG . PRO A 1 228 ? 43.145 18.807 10.413 1.00 24.78 ? 228 PRO A CG 1 +ATOM 1675 C CD . PRO A 1 228 ? 42.421 18.144 11.557 1.00 22.87 ? 228 PRO A CD 1 +ATOM 1676 N N . THR A 1 229 ? 44.770 21.593 13.618 1.00 22.72 ? 229 THR A N 1 +ATOM 1677 C CA . THR A 1 229 ? 44.574 22.972 14.019 1.00 22.24 ? 229 THR A CA 1 +ATOM 1678 C C . THR A 1 229 ? 45.662 23.855 13.417 1.00 31.60 ? 229 THR A C 1 +ATOM 1679 O O . THR A 1 229 ? 46.574 23.316 12.756 1.00 20.89 ? 229 THR A O 1 +ATOM 1680 C CB . THR A 1 229 ? 44.399 23.129 15.536 1.00 22.61 ? 229 THR A CB 1 +ATOM 1681 O OG1 . THR A 1 229 ? 44.061 24.463 15.867 1.00 33.96 ? 229 THR A OG1 1 +ATOM 1682 C CG2 . THR A 1 229 ? 45.715 22.797 16.185 1.00 23.41 ? 229 THR A CG2 1 +ATOM 1683 N N . HIS A 1 230 ? 45.522 25.192 13.607 1.00 29.91 ? 230 HIS A N 1 +ATOM 1684 C CA . HIS A 1 230 ? 46.424 26.226 13.036 1.00 33.98 ? 230 HIS A CA 1 +ATOM 1685 C C . HIS A 1 230 ? 46.490 26.085 11.508 1.00 22.60 ? 230 HIS A C 1 +ATOM 1686 O O . HIS A 1 230 ? 47.550 26.319 10.971 1.00 24.96 ? 230 HIS A O 1 +ATOM 1687 C CB . HIS A 1 230 ? 47.882 26.136 13.558 1.00 32.18 ? 230 HIS A CB 1 +ATOM 1688 C CG . HIS A 1 230 ? 47.951 25.925 15.032 1.00 39.04 ? 230 HIS A CG 1 +ATOM 1689 N ND1 . HIS A 1 230 ? 47.718 26.964 15.926 1.00 34.88 ? 230 HIS A ND1 1 +ATOM 1690 C CD2 . HIS A 1 230 ? 48.188 24.796 15.740 1.00 50.54 ? 230 HIS A CD2 1 +ATOM 1691 C CE1 . HIS A 1 230 ? 47.821 26.470 17.148 1.00 43.11 ? 230 HIS A CE1 1 +ATOM 1692 N NE2 . HIS A 1 230 ? 48.108 25.176 17.063 1.00 54.11 ? 230 HIS A NE2 1 +ATOM 1693 N N . VAL A 1 231 ? 45.404 25.650 10.839 1.00 30.60 ? 231 VAL A N 1 +ATOM 1694 C CA . VAL A 1 231 ? 45.429 25.394 9.390 1.00 29.90 ? 231 VAL A CA 1 +ATOM 1695 C C . VAL A 1 231 ? 45.827 26.564 8.490 1.00 27.01 ? 231 VAL A C 1 +ATOM 1696 O O . VAL A 1 231 ? 46.406 26.355 7.411 1.00 32.00 ? 231 VAL A O 1 +ATOM 1697 C CB . VAL A 1 231 ? 44.274 24.522 8.863 1.00 27.59 ? 231 VAL A CB 1 +ATOM 1698 C CG1 . VAL A 1 231 ? 44.265 23.150 9.507 1.00 15.69 ? 231 VAL A CG1 1 +ATOM 1699 C CG2 . VAL A 1 231 ? 42.911 25.148 9.088 1.00 27.14 ? 231 VAL A CG2 1 +ATOM 1700 N N . ASN A 1 232 ? 45.529 27.779 9.000 1.00 23.12 ? 232 ASN A N 1 +ATOM 1701 C CA . ASN A 1 232 ? 45.767 29.047 8.340 1.00 21.60 ? 232 ASN A CA 1 +ATOM 1702 C C . ASN A 1 232 ? 47.168 29.576 8.447 1.00 33.00 ? 232 ASN A C 1 +ATOM 1703 O O . ASN A 1 232 ? 47.416 30.708 8.059 1.00 33.63 ? 232 ASN A O 1 +ATOM 1704 C CB . ASN A 1 232 ? 44.842 30.152 8.845 1.00 19.37 ? 232 ASN A CB 1 +ATOM 1705 C CG . ASN A 1 232 ? 44.675 30.198 10.341 1.00 41.70 ? 232 ASN A CG 1 +ATOM 1706 O OD1 . ASN A 1 232 ? 44.434 29.156 10.938 1.00 39.51 ? 232 ASN A OD1 1 +ATOM 1707 N ND2 . ASN A 1 232 ? 44.743 31.388 10.951 1.00 22.76 ? 232 ASN A ND2 1 +ATOM 1708 N N . ARG A 1 233 ? 48.056 28.772 8.993 1.00 33.76 ? 233 ARG A N 1 +ATOM 1709 C CA . ARG A 1 233 ? 49.431 29.173 9.248 1.00 30.77 ? 233 ARG A CA 1 +ATOM 1710 C C . ARG A 1 233 ? 50.254 29.315 8.001 1.00 35.12 ? 233 ARG A C 1 +ATOM 1711 O O . ARG A 1 233 ? 51.276 30.003 7.965 1.00 32.22 ? 233 ARG A O 1 +ATOM 1712 C CB . ARG A 1 233 ? 50.090 28.286 10.320 1.00 9.05 ? 233 ARG A CB 1 +ATOM 1713 C CG . ARG A 1 233 ? 50.480 26.884 9.887 1.00 31.75 ? 233 ARG A CG 1 +ATOM 1714 C CD . ARG A 1 233 ? 51.246 26.163 11.000 1.00 35.13 ? 233 ARG A CD 1 +ATOM 1715 N NE . ARG A 1 233 ? 52.279 27.019 11.572 1.00 33.60 ? 233 ARG A NE 1 +ATOM 1716 C CZ . ARG A 1 233 ? 52.588 27.181 12.863 1.00 36.62 ? 233 ARG A CZ 1 +ATOM 1717 N NH1 . ARG A 1 233 ? 52.003 26.528 13.879 1.00 44.78 ? 233 ARG A NH1 1 +ATOM 1718 N NH2 . ARG A 1 233 ? 53.548 28.065 13.110 1.00 24.91 ? 233 ARG A NH2 1 +ATOM 1719 N N . ASN A 1 234 ? 49.783 28.631 6.995 1.00 26.36 ? 234 ASN A N 1 +ATOM 1720 C CA . ASN A 1 234 ? 50.441 28.691 5.746 1.00 21.87 ? 234 ASN A CA 1 +ATOM 1721 C C . ASN A 1 234 ? 49.561 28.247 4.635 1.00 25.95 ? 234 ASN A C 1 +ATOM 1722 O O . ASN A 1 234 ? 48.658 27.420 4.777 1.00 25.41 ? 234 ASN A O 1 +ATOM 1723 C CB . ASN A 1 234 ? 51.841 28.078 5.662 1.00 26.53 ? 234 ASN A CB 1 +ATOM 1724 C CG . ASN A 1 234 ? 51.829 26.576 5.523 1.00 24.58 ? 234 ASN A CG 1 +ATOM 1725 O OD1 . ASN A 1 234 ? 51.216 26.003 4.603 1.00 40.74 ? 234 ASN A OD1 1 +ATOM 1726 N ND2 . ASN A 1 234 ? 52.514 25.923 6.472 1.00 39.54 ? 234 ASN A ND2 1 +ATOM 1727 N N . VAL A 1 235 ? 49.884 28.823 3.509 1.00 29.04 ? 235 VAL A N 1 +ATOM 1728 C CA . VAL A 1 235 ? 49.111 28.597 2.324 1.00 23.91 ? 235 VAL A CA 1 +ATOM 1729 C C . VAL A 1 235 ? 48.921 27.194 1.861 1.00 26.24 ? 235 VAL A C 1 +ATOM 1730 O O . VAL A 1 235 ? 47.826 26.648 1.755 1.00 30.67 ? 235 VAL A O 1 +ATOM 1731 C CB . VAL A 1 235 ? 49.533 29.549 1.248 1.00 32.49 ? 235 VAL A CB 1 +ATOM 1732 C CG1 . VAL A 1 235 ? 48.577 29.393 0.102 1.00 26.77 ? 235 VAL A CG1 1 +ATOM 1733 C CG2 . VAL A 1 235 ? 49.332 30.925 1.878 1.00 37.52 ? 235 VAL A CG2 1 +ATOM 1734 N N . PRO A 1 236 ? 50.017 26.602 1.552 1.00 23.81 ? 236 PRO A N 1 +ATOM 1735 C CA . PRO A 1 236 ? 49.980 25.234 1.087 1.00 29.80 ? 236 PRO A CA 1 +ATOM 1736 C C . PRO A 1 236 ? 49.288 24.326 2.099 1.00 25.10 ? 236 PRO A C 1 +ATOM 1737 O O . PRO A 1 236 ? 48.577 23.391 1.739 1.00 28.23 ? 236 PRO A O 1 +ATOM 1738 C CB . PRO A 1 236 ? 51.422 24.846 0.852 1.00 34.18 ? 236 PRO A CB 1 +ATOM 1739 C CG . PRO A 1 236 ? 52.258 26.119 1.041 1.00 28.09 ? 236 PRO A CG 1 +ATOM 1740 C CD . PRO A 1 236 ? 51.361 27.194 1.643 1.00 8.65 ? 236 PRO A CD 1 +ATOM 1741 N N . LEU A 1 237 ? 49.480 24.634 3.378 1.00 25.37 ? 237 LEU A N 1 +ATOM 1742 C CA . LEU A 1 237 ? 48.826 23.887 4.429 1.00 25.34 ? 237 LEU A CA 1 +ATOM 1743 C C . LEU A 1 237 ? 47.347 24.186 4.358 1.00 20.90 ? 237 LEU A C 1 +ATOM 1744 O O . LEU A 1 237 ? 46.503 23.299 4.250 1.00 22.57 ? 237 LEU A O 1 +ATOM 1745 C CB . LEU A 1 237 ? 49.274 24.351 5.819 1.00 26.15 ? 237 LEU A CB 1 +ATOM 1746 C CG . LEU A 1 237 ? 48.562 23.705 7.017 1.00 29.17 ? 237 LEU A CG 1 +ATOM 1747 C CD1 . LEU A 1 237 ? 48.786 22.189 6.990 1.00 15.00 ? 237 LEU A CD1 1 +ATOM 1748 C CD2 . LEU A 1 237 ? 49.087 24.301 8.346 1.00 16.88 ? 237 LEU A CD2 1 +ATOM 1749 N N . PHE A 1 238 ? 47.024 25.465 4.357 1.00 26.08 ? 238 PHE A N 1 +ATOM 1750 C CA . PHE A 1 238 ? 45.625 25.803 4.282 1.00 18.20 ? 238 PHE A CA 1 +ATOM 1751 C C . PHE A 1 238 ? 44.871 25.025 3.181 1.00 23.79 ? 238 PHE A C 1 +ATOM 1752 O O . PHE A 1 238 ? 43.824 24.399 3.333 1.00 29.14 ? 238 PHE A O 1 +ATOM 1753 C CB . PHE A 1 238 ? 45.421 27.314 4.231 1.00 23.32 ? 238 PHE A CB 1 +ATOM 1754 C CG . PHE A 1 238 ? 43.951 27.652 4.298 1.00 38.42 ? 238 PHE A CG 1 +ATOM 1755 C CD1 . PHE A 1 238 ? 43.238 27.615 5.499 1.00 44.20 ? 238 PHE A CD1 1 +ATOM 1756 C CD2 . PHE A 1 238 ? 43.253 27.987 3.134 1.00 48.80 ? 238 PHE A CD2 1 +ATOM 1757 C CE1 . PHE A 1 238 ? 41.877 27.923 5.558 1.00 33.44 ? 238 PHE A CE1 1 +ATOM 1758 C CE2 . PHE A 1 238 ? 41.893 28.297 3.167 1.00 44.88 ? 238 PHE A CE2 1 +ATOM 1759 C CZ . PHE A 1 238 ? 41.207 28.263 4.383 1.00 41.53 ? 238 PHE A CZ 1 +ATOM 1760 N N . GLU A 1 239 ? 45.473 25.045 2.035 1.00 27.79 ? 239 GLU A N 1 +ATOM 1761 C CA . GLU A 1 239 ? 44.965 24.375 0.897 1.00 20.16 ? 239 GLU A CA 1 +ATOM 1762 C C . GLU A 1 239 ? 44.775 22.888 1.109 1.00 25.23 ? 239 GLU A C 1 +ATOM 1763 O O . GLU A 1 239 ? 43.786 22.368 0.582 1.00 28.05 ? 239 GLU A O 1 +ATOM 1764 C CB . GLU A 1 239 ? 45.953 24.614 -0.267 1.00 21.32 ? 239 GLU A CB 1 +ATOM 1765 C CG . GLU A 1 239 ? 45.936 26.082 -0.772 1.00 23.92 ? 239 GLU A CG 1 +ATOM 1766 C CD . GLU A 1 239 ? 44.676 26.467 -1.521 1.00 87.81 ? 239 GLU A CD 1 +ATOM 1767 O OE1 . GLU A 1 239 ? 44.035 25.699 -2.187 1.00 47.89 ? 239 GLU A OE1 1 +ATOM 1768 O OE2 . GLU A 1 239 ? 44.320 27.714 -1.406 1.00 30.18 ? 239 GLU A OE2 1 +ATOM 1769 N N . GLN A 1 240 ? 45.657 22.173 1.837 1.00 17.56 ? 240 GLN A N 1 +ATOM 1770 C CA . GLN A 1 240 ? 45.324 20.769 1.974 1.00 18.64 ? 240 GLN A CA 1 +ATOM 1771 C C . GLN A 1 240 ? 44.267 20.533 2.988 1.00 23.40 ? 240 GLN A C 1 +ATOM 1772 O O . GLN A 1 240 ? 43.519 19.527 2.963 1.00 30.14 ? 240 GLN A O 1 +ATOM 1773 C CB . GLN A 1 240 ? 46.458 19.805 2.149 1.00 29.68 ? 240 GLN A CB 1 +ATOM 1774 C CG . GLN A 1 240 ? 47.816 20.478 2.245 1.00 14.05 ? 240 GLN A CG 1 +ATOM 1775 C CD . GLN A 1 240 ? 48.925 19.439 2.243 1.00 46.77 ? 240 GLN A CD 1 +ATOM 1776 O OE1 . GLN A 1 240 ? 48.863 18.432 2.961 1.00 40.75 ? 240 GLN A OE1 1 +ATOM 1777 N NE2 . GLN A 1 240 ? 49.938 19.658 1.417 1.00 52.00 ? 240 GLN A NE2 1 +ATOM 1778 N N . ALA A 1 241 ? 44.200 21.510 3.882 1.00 23.05 ? 241 ALA A N 1 +ATOM 1779 C CA . ALA A 1 241 ? 43.196 21.421 4.921 1.00 14.36 ? 241 ALA A CA 1 +ATOM 1780 C C . ALA A 1 241 ? 41.872 21.333 4.192 1.00 29.55 ? 241 ALA A C 1 +ATOM 1781 O O . ALA A 1 241 ? 41.072 20.424 4.433 1.00 36.19 ? 241 ALA A O 1 +ATOM 1782 C CB . ALA A 1 241 ? 43.273 22.643 5.825 1.00 11.69 ? 241 ALA A CB 1 +ATOM 1783 N N . LEU A 1 242 ? 41.697 22.254 3.229 1.00 22.05 ? 242 LEU A N 1 +ATOM 1784 C CA . LEU A 1 242 ? 40.470 22.305 2.441 1.00 23.40 ? 242 LEU A CA 1 +ATOM 1785 C C . LEU A 1 242 ? 40.061 20.968 1.883 1.00 17.76 ? 242 LEU A C 1 +ATOM 1786 O O . LEU A 1 242 ? 38.899 20.525 2.020 1.00 25.59 ? 242 LEU A O 1 +ATOM 1787 C CB . LEU A 1 242 ? 40.527 23.373 1.332 1.00 24.95 ? 242 LEU A CB 1 +ATOM 1788 C CG . LEU A 1 242 ? 40.541 24.798 1.873 1.00 24.94 ? 242 LEU A CG 1 +ATOM 1789 C CD1 . LEU A 1 242 ? 40.672 25.836 0.780 1.00 20.66 ? 242 LEU A CD1 1 +ATOM 1790 C CD2 . LEU A 1 242 ? 39.272 25.073 2.635 1.00 20.56 ? 242 LEU A CD2 1 +ATOM 1791 N N . GLU A 1 243 ? 41.014 20.293 1.263 1.00 21.53 ? 243 GLU A N 1 +ATOM 1792 C CA . GLU A 1 243 ? 40.633 19.001 0.705 1.00 27.38 ? 243 GLU A CA 1 +ATOM 1793 C C . GLU A 1 243 ? 40.319 18.049 1.797 1.00 38.31 ? 243 GLU A C 1 +ATOM 1794 O O . GLU A 1 243 ? 39.430 17.205 1.641 1.00 34.16 ? 243 GLU A O 1 +ATOM 1795 C CB . GLU A 1 243 ? 41.729 18.355 -0.120 1.00 28.88 ? 243 GLU A CB 1 +ATOM 1796 C CG . GLU A 1 243 ? 43.002 19.148 0.086 1.00 72.19 ? 243 GLU A CG 1 +ATOM 1797 C CD . GLU A 1 243 ? 43.903 18.959 -1.106 1.00 100.00 ? 243 GLU A CD 1 +ATOM 1798 O OE1 . GLU A 1 243 ? 44.634 17.981 -1.228 1.00 100.00 ? 243 GLU A OE1 1 +ATOM 1799 O OE2 . GLU A 1 243 ? 43.749 19.939 -1.988 1.00 100.00 ? 243 GLU A OE2 1 +ATOM 1800 N N . PHE A 1 244 ? 41.092 18.195 2.878 1.00 30.70 ? 244 PHE A N 1 +ATOM 1801 C CA . PHE A 1 244 ? 40.867 17.336 4.024 1.00 31.77 ? 244 PHE A CA 1 +ATOM 1802 C C . PHE A 1 244 ? 39.380 17.440 4.450 1.00 30.46 ? 244 PHE A C 1 +ATOM 1803 O O . PHE A 1 244 ? 38.683 16.447 4.604 1.00 22.76 ? 244 PHE A O 1 +ATOM 1804 C CB . PHE A 1 244 ? 41.854 17.639 5.196 1.00 23.74 ? 244 PHE A CB 1 +ATOM 1805 C CG . PHE A 1 244 ? 41.601 16.767 6.430 1.00 25.86 ? 244 PHE A CG 1 +ATOM 1806 C CD1 . PHE A 1 244 ? 42.142 15.483 6.540 1.00 37.59 ? 244 PHE A CD1 1 +ATOM 1807 C CD2 . PHE A 1 244 ? 40.853 17.231 7.514 1.00 34.71 ? 244 PHE A CD2 1 +ATOM 1808 C CE1 . PHE A 1 244 ? 41.953 14.668 7.661 1.00 31.03 ? 244 PHE A CE1 1 +ATOM 1809 C CE2 . PHE A 1 244 ? 40.635 16.435 8.640 1.00 34.46 ? 244 PHE A CE2 1 +ATOM 1810 C CZ . PHE A 1 244 ? 41.182 15.153 8.715 1.00 33.14 ? 244 PHE A CZ 1 +ATOM 1811 N N . ALA A 1 245 ? 38.889 18.669 4.644 1.00 20.89 ? 245 ALA A N 1 +ATOM 1812 C CA . ALA A 1 245 ? 37.498 18.824 5.039 1.00 31.54 ? 245 ALA A CA 1 +ATOM 1813 C C . ALA A 1 245 ? 36.622 18.276 3.946 1.00 30.56 ? 245 ALA A C 1 +ATOM 1814 O O . ALA A 1 245 ? 35.570 17.699 4.158 1.00 40.74 ? 245 ALA A O 1 +ATOM 1815 C CB . ALA A 1 245 ? 37.135 20.281 5.318 1.00 25.74 ? 245 ALA A CB 1 +ATOM 1816 N N . ARG A 1 246 ? 37.084 18.454 2.744 1.00 46.92 ? 246 ARG A N 1 +ATOM 1817 C CA . ARG A 1 246 ? 36.294 17.939 1.673 1.00 44.90 ? 246 ARG A CA 1 +ATOM 1818 C C . ARG A 1 246 ? 36.083 16.431 1.786 1.00 36.26 ? 246 ARG A C 1 +ATOM 1819 O O . ARG A 1 246 ? 35.029 15.916 1.454 1.00 37.96 ? 246 ARG A O 1 +ATOM 1820 C CB . ARG A 1 246 ? 36.853 18.355 0.338 1.00 37.75 ? 246 ARG A CB 1 +ATOM 1821 C CG . ARG A 1 246 ? 35.720 18.401 -0.673 1.00 96.48 ? 246 ARG A CG 1 +ATOM 1822 C CD . ARG A 1 246 ? 36.190 18.762 -2.070 1.00 55.36 ? 246 ARG A CD 1 +ATOM 1823 N NE . ARG A 1 246 ? 36.520 20.184 -2.238 1.00 60.53 ? 246 ARG A NE 1 +ATOM 1824 C CZ . ARG A 1 246 ? 37.785 20.633 -2.280 1.00 36.79 ? 246 ARG A CZ 1 +ATOM 1825 N NH1 . ARG A 1 246 ? 38.837 19.812 -2.110 1.00 81.43 ? 246 ARG A NH1 1 +ATOM 1826 N NH2 . ARG A 1 246 ? 38.017 21.930 -2.473 1.00 100.00 ? 246 ARG A NH2 1 +ATOM 1827 N N . LYS A 1 247 ? 37.073 15.729 2.311 1.00 35.50 ? 247 LYS A N 1 +ATOM 1828 C CA . LYS A 1 247 ? 36.992 14.283 2.456 1.00 21.27 ? 247 LYS A CA 1 +ATOM 1829 C C . LYS A 1 247 ? 36.148 13.865 3.642 1.00 33.68 ? 247 LYS A C 1 +ATOM 1830 O O . LYS A 1 247 ? 35.901 12.680 3.899 1.00 30.93 ? 247 LYS A O 1 +ATOM 1831 C CB . LYS A 1 247 ? 38.365 13.691 2.549 1.00 36.67 ? 247 LYS A CB 1 +ATOM 1832 C CG . LYS A 1 247 ? 38.928 13.404 1.180 1.00 73.29 ? 247 LYS A CG 1 +ATOM 1833 C CD . LYS A 1 247 ? 40.381 13.787 1.050 1.00 100.00 ? 247 LYS A CD 1 +ATOM 1834 C CE . LYS A 1 247 ? 40.994 13.470 -0.295 1.00 100.00 ? 247 LYS A CE 1 +ATOM 1835 N NZ . LYS A 1 247 ? 42.395 13.859 -0.375 1.00 80.00 ? 247 LYS A NZ 1 +ATOM 1836 N N . GLY A 1 248 ? 35.695 14.883 4.363 1.00 29.32 ? 248 GLY A N 1 +ATOM 1837 C CA . GLY A 1 248 ? 34.844 14.645 5.504 1.00 30.47 ? 248 GLY A CA 1 +ATOM 1838 C C . GLY A 1 248 ? 35.470 15.069 6.807 1.00 31.53 ? 248 GLY A C 1 +ATOM 1839 O O . GLY A 1 248 ? 34.839 15.003 7.868 1.00 46.90 ? 248 GLY A O 1 +ATOM 1840 N N . GLY A 1 249 ? 36.727 15.465 6.717 1.00 36.01 ? 249 GLY A N 1 +ATOM 1841 C CA . GLY A 1 249 ? 37.390 15.911 7.926 1.00 33.75 ? 249 GLY A CA 1 +ATOM 1842 C C . GLY A 1 249 ? 36.875 17.299 8.304 1.00 38.18 ? 249 GLY A C 1 +ATOM 1843 O O . GLY A 1 249 ? 36.231 18.016 7.522 1.00 30.18 ? 249 GLY A O 1 +ATOM 1844 N N . THR A 1 250 ? 37.185 17.669 9.537 1.00 31.79 ? 250 THR A N 1 +ATOM 1845 C CA . THR A 1 250 ? 36.850 18.937 10.118 1.00 16.65 ? 250 THR A CA 1 +ATOM 1846 C C . THR A 1 250 ? 38.168 19.632 10.421 1.00 28.61 ? 250 THR A C 1 +ATOM 1847 O O . THR A 1 250 ? 39.072 18.993 10.941 1.00 29.79 ? 250 THR A O 1 +ATOM 1848 C CB . THR A 1 250 ? 36.080 18.744 11.424 1.00 33.12 ? 250 THR A CB 1 +ATOM 1849 O OG1 . THR A 1 250 ? 34.945 17.950 11.184 1.00 25.03 ? 250 THR A OG1 1 +ATOM 1850 C CG2 . THR A 1 250 ? 35.751 20.093 12.044 1.00 22.33 ? 250 THR A CG2 1 +ATOM 1851 N N . ILE A 1 251 ? 38.282 20.926 10.088 1.00 30.08 ? 251 ILE A N 1 +ATOM 1852 C CA . ILE A 1 251 ? 39.497 21.652 10.327 1.00 14.39 ? 251 ILE A CA 1 +ATOM 1853 C C . ILE A 1 251 ? 39.296 22.784 11.259 1.00 16.02 ? 251 ILE A C 1 +ATOM 1854 O O . ILE A 1 251 ? 38.206 23.371 11.359 1.00 23.97 ? 251 ILE A O 1 +ATOM 1855 C CB . ILE A 1 251 ? 40.116 22.122 9.032 1.00 27.14 ? 251 ILE A CB 1 +ATOM 1856 C CG1 . ILE A 1 251 ? 39.280 23.292 8.533 1.00 32.30 ? 251 ILE A CG1 1 +ATOM 1857 C CG2 . ILE A 1 251 ? 40.008 20.961 8.065 1.00 16.12 ? 251 ILE A CG2 1 +ATOM 1858 C CD1 . ILE A 1 251 ? 39.797 23.886 7.225 1.00 35.41 ? 251 ILE A CD1 1 +ATOM 1859 N N . ASP A 1 252 ? 40.371 23.069 11.975 1.00 20.76 ? 252 ASP A N 1 +ATOM 1860 C CA . ASP A 1 252 ? 40.333 24.123 12.951 1.00 18.55 ? 252 ASP A CA 1 +ATOM 1861 C C . ASP A 1 252 ? 41.207 25.305 12.569 1.00 31.56 ? 252 ASP A C 1 +ATOM 1862 O O . ASP A 1 252 ? 42.406 25.208 12.284 1.00 24.37 ? 252 ASP A O 1 +ATOM 1863 C CB . ASP A 1 252 ? 40.652 23.584 14.362 1.00 22.69 ? 252 ASP A CB 1 +ATOM 1864 C CG . ASP A 1 252 ? 40.479 24.580 15.501 1.00 29.13 ? 252 ASP A CG 1 +ATOM 1865 O OD1 . ASP A 1 252 ? 41.375 24.890 16.259 1.00 13.71 ? 252 ASP A OD1 1 +ATOM 1866 O OD2 . ASP A 1 252 ? 39.267 25.033 15.643 1.00 31.76 ? 252 ASP A OD2 1 +ATOM 1867 N N . ILE A 1 253 ? 40.568 26.448 12.587 1.00 24.22 ? 253 ILE A N 1 +ATOM 1868 C CA . ILE A 1 253 ? 41.193 27.675 12.275 1.00 24.42 ? 253 ILE A CA 1 +ATOM 1869 C C . ILE A 1 253 ? 41.568 28.467 13.531 1.00 23.31 ? 253 ILE A C 1 +ATOM 1870 O O . ILE A 1 253 ? 40.797 28.625 14.494 1.00 26.71 ? 253 ILE A O 1 +ATOM 1871 C CB . ILE A 1 253 ? 40.217 28.403 11.388 1.00 36.86 ? 253 ILE A CB 1 +ATOM 1872 C CG1 . ILE A 1 253 ? 39.992 27.525 10.162 1.00 28.47 ? 253 ILE A CG1 1 +ATOM 1873 C CG2 . ILE A 1 253 ? 40.720 29.791 10.988 1.00 25.20 ? 253 ILE A CG2 1 +ATOM 1874 C CD1 . ILE A 1 253 ? 39.154 28.234 9.113 1.00 37.96 ? 253 ILE A CD1 1 +ATOM 1875 N N . THR A 1 254 ? 42.798 28.979 13.544 1.00 14.10 ? 254 THR A N 1 +ATOM 1876 C CA . THR A 1 254 ? 43.263 29.734 14.679 1.00 18.88 ? 254 THR A CA 1 +ATOM 1877 C C . THR A 1 254 ? 43.047 31.193 14.466 1.00 18.01 ? 254 THR A C 1 +ATOM 1878 O O . THR A 1 254 ? 43.622 31.754 13.529 1.00 31.45 ? 254 THR A O 1 +ATOM 1879 C CB . THR A 1 254 ? 44.754 29.453 14.925 1.00 25.60 ? 254 THR A CB 1 +ATOM 1880 O OG1 . THR A 1 254 ? 44.851 28.079 15.231 1.00 34.73 ? 254 THR A OG1 1 +ATOM 1881 C CG2 . THR A 1 254 ? 45.220 30.247 16.117 1.00 13.43 ? 254 THR A CG2 1 +ATOM 1882 N N . SER A 1 255 ? 42.265 31.781 15.379 1.00 11.73 ? 255 SER A N 1 +ATOM 1883 C CA . SER A 1 255 ? 41.903 33.174 15.263 1.00 22.97 ? 255 SER A CA 1 +ATOM 1884 C C . SER A 1 255 ? 43.003 34.111 15.612 1.00 38.04 ? 255 SER A C 1 +ATOM 1885 O O . SER A 1 255 ? 42.925 35.306 15.356 1.00 41.84 ? 255 SER A O 1 +ATOM 1886 C CB . SER A 1 255 ? 40.604 33.544 15.975 1.00 13.91 ? 255 SER A CB 1 +ATOM 1887 O OG . SER A 1 255 ? 40.773 33.588 17.367 1.00 24.42 ? 255 SER A OG 1 +ATOM 1888 N N . SER A 1 256 ? 44.021 33.544 16.208 1.00 32.98 ? 256 SER A N 1 +ATOM 1889 C CA . SER A 1 256 ? 45.092 34.410 16.622 1.00 33.81 ? 256 SER A CA 1 +ATOM 1890 C C . SER A 1 256 ? 46.221 34.497 15.616 1.00 42.03 ? 256 SER A C 1 +ATOM 1891 O O . SER A 1 256 ? 47.259 35.069 15.927 1.00 36.21 ? 256 SER A O 1 +ATOM 1892 C CB . SER A 1 256 ? 45.530 34.165 18.055 1.00 36.34 ? 256 SER A CB 1 +ATOM 1893 O OG . SER A 1 256 ? 45.981 32.834 18.214 1.00 52.61 ? 256 SER A OG 1 +ATOM 1894 N N . ILE A 1 257 ? 45.965 33.935 14.427 1.00 39.94 ? 257 ILE A N 1 +ATOM 1895 C CA . ILE A 1 257 ? 46.894 33.910 13.297 1.00 40.08 ? 257 ILE A CA 1 +ATOM 1896 C C . ILE A 1 257 ? 46.336 34.826 12.198 1.00 44.32 ? 257 ILE A C 1 +ATOM 1897 O O . ILE A 1 257 ? 45.261 34.544 11.651 1.00 32.47 ? 257 ILE A O 1 +ATOM 1898 C CB . ILE A 1 257 ? 47.100 32.478 12.788 1.00 43.58 ? 257 ILE A CB 1 +ATOM 1899 C CG1 . ILE A 1 257 ? 47.581 31.583 13.948 1.00 58.76 ? 257 ILE A CG1 1 +ATOM 1900 C CG2 . ILE A 1 257 ? 48.075 32.479 11.617 1.00 34.00 ? 257 ILE A CG2 1 +ATOM 1901 C CD1 . ILE A 1 257 ? 48.247 30.231 13.629 1.00 35.00 ? 257 ILE A CD1 1 +ATOM 1902 N N . ASP A 1 258 ? 47.061 35.926 11.891 1.00 50.23 ? 258 ASP A N 1 +ATOM 1903 C CA . ASP A 1 258 ? 46.655 36.933 10.893 1.00 50.35 ? 258 ASP A CA 1 +ATOM 1904 C C . ASP A 1 258 ? 47.153 36.750 9.485 1.00 39.72 ? 258 ASP A C 1 +ATOM 1905 O O . ASP A 1 258 ? 46.485 37.135 8.521 1.00 48.66 ? 258 ASP A O 1 +ATOM 1906 C CB . ASP A 1 258 ? 47.131 38.313 11.289 1.00 58.99 ? 258 ASP A CB 1 +ATOM 1907 C CG . ASP A 1 258 ? 46.302 38.825 12.448 1.00 100.00 ? 258 ASP A CG 1 +ATOM 1908 O OD1 . ASP A 1 258 ? 45.246 38.259 12.799 1.00 100.00 ? 258 ASP A OD1 1 +ATOM 1909 O OD2 . ASP A 1 258 ? 46.861 39.883 13.009 1.00 100.00 ? 258 ASP A OD2 1 +ATOM 1910 N N . GLU A 1 259 ? 48.345 36.206 9.420 1.00 29.54 ? 259 GLU A N 1 +ATOM 1911 C CA . GLU A 1 259 ? 49.052 35.936 8.202 1.00 34.00 ? 259 GLU A CA 1 +ATOM 1912 C C . GLU A 1 259 ? 49.433 34.472 8.196 1.00 32.30 ? 259 GLU A C 1 +ATOM 1913 O O . GLU A 1 259 ? 49.739 33.902 9.250 1.00 45.57 ? 259 GLU A O 1 +ATOM 1914 C CB . GLU A 1 259 ? 50.362 36.765 8.179 1.00 44.64 ? 259 GLU A CB 1 +ATOM 1915 C CG . GLU A 1 259 ? 50.204 38.301 8.029 1.00 74.77 ? 259 GLU A CG 1 +ATOM 1916 C CD . GLU A 1 259 ? 51.449 39.006 8.564 1.00 100.00 ? 259 GLU A CD 1 +ATOM 1917 O OE1 . GLU A 1 259 ? 52.492 38.418 8.833 1.00 88.69 ? 259 GLU A OE1 1 +ATOM 1918 O OE2 . GLU A 1 259 ? 51.266 40.292 8.732 1.00 100.00 ? 259 GLU A OE2 1 +ATOM 1919 N N . PRO A 1 260 ? 49.466 33.870 7.008 1.00 28.98 ? 260 PRO A N 1 +ATOM 1920 C CA . PRO A 1 260 ? 49.097 34.483 5.721 1.00 34.71 ? 260 PRO A CA 1 +ATOM 1921 C C . PRO A 1 260 ? 47.573 34.565 5.512 1.00 33.69 ? 260 PRO A C 1 +ATOM 1922 O O . PRO A 1 260 ? 47.037 35.477 4.871 1.00 51.74 ? 260 PRO A O 1 +ATOM 1923 C CB . PRO A 1 260 ? 49.613 33.521 4.643 1.00 37.49 ? 260 PRO A CB 1 +ATOM 1924 C CG . PRO A 1 260 ? 50.061 32.270 5.358 1.00 35.48 ? 260 PRO A CG 1 +ATOM 1925 C CD . PRO A 1 260 ? 50.244 32.633 6.823 1.00 22.41 ? 260 PRO A CD 1 +ATOM 1926 N N . VAL A 1 261 ? 46.872 33.564 6.026 1.00 29.25 ? 261 VAL A N 1 +ATOM 1927 C CA . VAL A 1 261 ? 45.435 33.514 5.932 1.00 21.78 ? 261 VAL A CA 1 +ATOM 1928 C C . VAL A 1 261 ? 44.857 33.958 7.243 1.00 35.61 ? 261 VAL A C 1 +ATOM 1929 O O . VAL A 1 261 ? 45.150 33.383 8.281 1.00 49.48 ? 261 VAL A O 1 +ATOM 1930 C CB . VAL A 1 261 ? 44.959 32.137 5.568 1.00 29.99 ? 261 VAL A CB 1 +ATOM 1931 C CG1 . VAL A 1 261 ? 43.452 32.122 5.348 1.00 26.52 ? 261 VAL A CG1 1 +ATOM 1932 C CG2 . VAL A 1 261 ? 45.658 31.730 4.284 1.00 38.16 ? 261 VAL A CG2 1 +ATOM 1933 N N . ALA A 1 262 ? 44.092 35.031 7.198 1.00 31.24 ? 262 ALA A N 1 +ATOM 1934 C CA . ALA A 1 262 ? 43.463 35.529 8.384 1.00 24.59 ? 262 ALA A CA 1 +ATOM 1935 C C . ALA A 1 262 ? 42.263 34.661 8.616 1.00 26.36 ? 262 ALA A C 1 +ATOM 1936 O O . ALA A 1 262 ? 41.766 33.954 7.738 1.00 26.12 ? 262 ALA A O 1 +ATOM 1937 C CB . ALA A 1 262 ? 43.057 36.982 8.249 1.00 23.58 ? 262 ALA A CB 1 +ATOM 1938 N N . PRO A 1 263 ? 41.813 34.690 9.839 1.00 32.01 ? 263 PRO A N 1 +ATOM 1939 C CA . PRO A 1 263 ? 40.726 33.862 10.255 1.00 31.64 ? 263 PRO A CA 1 +ATOM 1940 C C . PRO A 1 263 ? 39.495 33.925 9.397 1.00 27.52 ? 263 PRO A C 1 +ATOM 1941 O O . PRO A 1 263 ? 39.111 32.888 8.825 1.00 23.10 ? 263 PRO A O 1 +ATOM 1942 C CB . PRO A 1 263 ? 40.439 34.186 11.724 1.00 34.73 ? 263 PRO A CB 1 +ATOM 1943 C CG . PRO A 1 263 ? 41.643 34.992 12.207 1.00 34.27 ? 263 PRO A CG 1 +ATOM 1944 C CD . PRO A 1 263 ? 42.498 35.319 10.994 1.00 28.81 ? 263 PRO A CD 1 +ATOM 1945 N N . ALA A 1 264 ? 38.875 35.122 9.367 1.00 28.97 ? 264 ALA A N 1 +ATOM 1946 C CA . ALA A 1 264 ? 37.646 35.342 8.602 1.00 29.85 ? 264 ALA A CA 1 +ATOM 1947 C C . ALA A 1 264 ? 37.837 34.946 7.150 1.00 31.24 ? 264 ALA A C 1 +ATOM 1948 O O . ALA A 1 264 ? 36.985 34.342 6.510 1.00 34.54 ? 264 ALA A O 1 +ATOM 1949 C CB . ALA A 1 264 ? 37.118 36.736 8.793 1.00 29.94 ? 264 ALA A CB 1 +ATOM 1950 N N . GLU A 1 265 ? 39.034 35.229 6.674 1.00 27.79 ? 265 GLU A N 1 +ATOM 1951 C CA . GLU A 1 265 ? 39.400 34.869 5.344 1.00 16.70 ? 265 GLU A CA 1 +ATOM 1952 C C . GLU A 1 265 ? 39.456 33.358 5.152 1.00 32.52 ? 265 GLU A C 1 +ATOM 1953 O O . GLU A 1 265 ? 39.075 32.819 4.104 1.00 31.90 ? 265 GLU A O 1 +ATOM 1954 C CB . GLU A 1 265 ? 40.691 35.561 4.871 1.00 21.11 ? 265 GLU A CB 1 +ATOM 1955 C CG . GLU A 1 265 ? 41.023 35.072 3.448 1.00 33.27 ? 265 GLU A CG 1 +ATOM 1956 C CD . GLU A 1 265 ? 42.469 35.179 3.080 1.00 88.47 ? 265 GLU A CD 1 +ATOM 1957 O OE1 . GLU A 1 265 ? 43.386 35.164 3.877 1.00 71.77 ? 265 GLU A OE1 1 +ATOM 1958 O OE2 . GLU A 1 265 ? 42.636 35.325 1.789 1.00 100.00 ? 265 GLU A OE2 1 +ATOM 1959 N N . GLY A 1 266 ? 39.917 32.656 6.193 1.00 22.86 ? 266 GLY A N 1 +ATOM 1960 C CA . GLY A 1 266 ? 39.945 31.206 6.096 1.00 23.59 ? 266 GLY A CA 1 +ATOM 1961 C C . GLY A 1 266 ? 38.529 30.621 6.022 1.00 29.33 ? 266 GLY A C 1 +ATOM 1962 O O . GLY A 1 266 ? 38.188 29.738 5.220 1.00 30.28 ? 266 GLY A O 1 +ATOM 1963 N N . ILE A 1 267 ? 37.661 31.133 6.871 1.00 17.11 ? 267 ILE A N 1 +ATOM 1964 C CA . ILE A 1 267 ? 36.288 30.650 6.861 1.00 23.89 ? 267 ILE A CA 1 +ATOM 1965 C C . ILE A 1 267 ? 35.581 30.927 5.529 1.00 24.49 ? 267 ILE A C 1 +ATOM 1966 O O . ILE A 1 267 ? 34.890 30.083 4.989 1.00 29.02 ? 267 ILE A O 1 +ATOM 1967 C CB . ILE A 1 267 ? 35.551 31.243 8.045 1.00 35.24 ? 267 ILE A CB 1 +ATOM 1968 C CG1 . ILE A 1 267 ? 36.119 30.655 9.327 1.00 27.05 ? 267 ILE A CG1 1 +ATOM 1969 C CG2 . ILE A 1 267 ? 34.065 30.928 7.931 1.00 41.57 ? 267 ILE A CG2 1 +ATOM 1970 C CD1 . ILE A 1 267 ? 35.785 31.474 10.569 1.00 25.97 ? 267 ILE A CD1 1 +ATOM 1971 N N . ALA A 1 268 ? 35.786 32.122 4.972 1.00 32.44 ? 268 ALA A N 1 +ATOM 1972 C CA . ALA A 1 268 ? 35.201 32.494 3.689 1.00 23.13 ? 268 ALA A CA 1 +ATOM 1973 C C . ALA A 1 268 ? 35.589 31.474 2.630 1.00 27.33 ? 268 ALA A C 1 +ATOM 1974 O O . ALA A 1 268 ? 34.745 30.842 1.968 1.00 44.14 ? 268 ALA A O 1 +ATOM 1975 C CB . ALA A 1 268 ? 35.652 33.885 3.310 1.00 16.63 ? 268 ALA A CB 1 +ATOM 1976 N N . ARG A 1 269 ? 36.882 31.230 2.492 1.00 21.69 ? 269 ARG A N 1 +ATOM 1977 C CA . ARG A 1 269 ? 37.240 30.245 1.480 1.00 12.49 ? 269 ARG A CA 1 +ATOM 1978 C C . ARG A 1 269 ? 36.735 28.878 1.677 1.00 27.67 ? 269 ARG A C 1 +ATOM 1979 O O . ARG A 1 269 ? 36.672 28.136 0.719 1.00 35.33 ? 269 ARG A O 1 +ATOM 1980 C CB . ARG A 1 269 ? 38.680 30.080 1.431 1.00 22.53 ? 269 ARG A CB 1 +ATOM 1981 C CG . ARG A 1 269 ? 39.254 31.445 1.484 1.00 29.36 ? 269 ARG A CG 1 +ATOM 1982 C CD . ARG A 1 269 ? 40.678 31.255 1.032 1.00 28.84 ? 269 ARG A CD 1 +ATOM 1983 N NE . ARG A 1 269 ? 41.341 32.516 0.806 1.00 57.77 ? 269 ARG A NE 1 +ATOM 1984 C CZ . ARG A 1 269 ? 42.432 32.516 0.097 1.00 80.53 ? 269 ARG A CZ 1 +ATOM 1985 N NH1 . ARG A 1 269 ? 42.908 31.356 -0.390 1.00 47.11 ? 269 ARG A NH1 1 +ATOM 1986 N NH2 . ARG A 1 269 ? 43.063 33.662 -0.134 1.00 100.00 ? 269 ARG A NH2 1 +ATOM 1987 N N . ALA A 1 270 ? 36.485 28.544 2.925 1.00 23.16 ? 270 ALA A N 1 +ATOM 1988 C CA . ALA A 1 270 ? 36.029 27.208 3.167 1.00 27.90 ? 270 ALA A CA 1 +ATOM 1989 C C . ALA A 1 270 ? 34.763 27.035 2.365 1.00 36.68 ? 270 ALA A C 1 +ATOM 1990 O O . ALA A 1 270 ? 34.591 26.107 1.562 1.00 27.25 ? 270 ALA A O 1 +ATOM 1991 C CB . ALA A 1 270 ? 35.687 27.106 4.635 1.00 27.68 ? 270 ALA A CB 1 +ATOM 1992 N N . VAL A 1 271 ? 33.893 27.994 2.657 1.00 31.64 ? 271 VAL A N 1 +ATOM 1993 C CA . VAL A 1 271 ? 32.589 28.157 2.073 1.00 25.29 ? 271 VAL A CA 1 +ATOM 1994 C C . VAL A 1 271 ? 32.719 28.237 0.547 1.00 26.55 ? 271 VAL A C 1 +ATOM 1995 O O . VAL A 1 271 ? 32.074 27.481 -0.198 1.00 28.04 ? 271 VAL A O 1 +ATOM 1996 C CB . VAL A 1 271 ? 31.969 29.362 2.745 1.00 31.23 ? 271 VAL A CB 1 +ATOM 1997 C CG1 . VAL A 1 271 ? 30.636 29.693 2.131 1.00 33.58 ? 271 VAL A CG1 1 +ATOM 1998 C CG2 . VAL A 1 271 ? 31.782 29.049 4.235 1.00 23.69 ? 271 VAL A CG2 1 +ATOM 1999 N N . GLN A 1 272 ? 33.651 29.064 0.098 1.00 17.25 ? 272 GLN A N 1 +ATOM 2000 C CA . GLN A 1 272 ? 33.868 29.151 -1.308 1.00 23.24 ? 272 GLN A CA 1 +ATOM 2001 C C . GLN A 1 272 ? 34.189 27.765 -1.857 1.00 33.50 ? 272 GLN A C 1 +ATOM 2002 O O . GLN A 1 272 ? 33.671 27.331 -2.887 1.00 37.14 ? 272 GLN A O 1 +ATOM 2003 C CB . GLN A 1 272 ? 34.951 30.187 -1.679 1.00 23.95 ? 272 GLN A CB 1 +ATOM 2004 C CG . GLN A 1 272 ? 34.640 31.613 -1.169 1.00 23.66 ? 272 GLN A CG 1 +ATOM 2005 C CD . GLN A 1 272 ? 35.889 32.500 -1.094 1.00 43.65 ? 272 GLN A CD 1 +ATOM 2006 O OE1 . GLN A 1 272 ? 36.938 32.164 -1.658 1.00 72.78 ? 272 GLN A OE1 1 +ATOM 2007 N NE2 . GLN A 1 272 ? 35.818 33.652 -0.444 1.00 30.02 ? 272 GLN A NE2 1 +ATOM 2008 N N . ALA A 1 273 ? 35.073 27.051 -1.176 1.00 21.79 ? 273 ALA A N 1 +ATOM 2009 C CA . ALA A 1 273 ? 35.442 25.706 -1.625 1.00 21.27 ? 273 ALA A CA 1 +ATOM 2010 C C . ALA A 1 273 ? 34.324 24.699 -1.493 1.00 25.18 ? 273 ALA A C 1 +ATOM 2011 O O . ALA A 1 273 ? 34.508 23.530 -1.816 1.00 48.22 ? 273 ALA A O 1 +ATOM 2012 C CB . ALA A 1 273 ? 36.666 25.159 -0.924 1.00 23.36 ? 273 ALA A CB 1 +ATOM 2013 N N . GLY A 1 274 ? 33.176 25.159 -1.006 1.00 20.95 ? 274 GLY A N 1 +ATOM 2014 C CA . GLY A 1 274 ? 32.002 24.340 -0.844 1.00 24.98 ? 274 GLY A CA 1 +ATOM 2015 C C . GLY A 1 274 ? 31.953 23.523 0.424 1.00 44.21 ? 274 GLY A C 1 +ATOM 2016 O O . GLY A 1 274 ? 31.259 22.494 0.539 1.00 36.56 ? 274 GLY A O 1 +ATOM 2017 N N . ILE A 1 275 ? 32.686 24.011 1.399 1.00 40.01 ? 275 ILE A N 1 +ATOM 2018 C CA . ILE A 1 275 ? 32.706 23.272 2.630 1.00 31.42 ? 275 ILE A CA 1 +ATOM 2019 C C . ILE A 1 275 ? 31.649 23.726 3.599 1.00 25.91 ? 275 ILE A C 1 +ATOM 2020 O O . ILE A 1 275 ? 31.527 24.917 3.866 1.00 32.90 ? 275 ILE A O 1 +ATOM 2021 C CB . ILE A 1 275 ? 34.125 23.250 3.212 1.00 30.85 ? 275 ILE A CB 1 +ATOM 2022 C CG1 . ILE A 1 275 ? 35.043 22.532 2.226 1.00 34.80 ? 275 ILE A CG1 1 +ATOM 2023 C CG2 . ILE A 1 275 ? 34.101 22.470 4.517 1.00 26.19 ? 275 ILE A CG2 1 +ATOM 2024 C CD1 . ILE A 1 275 ? 36.332 23.283 1.912 1.00 69.44 ? 275 ILE A CD1 1 +ATOM 2025 N N . PRO A 1 276 ? 30.928 22.753 4.145 1.00 18.98 ? 276 PRO A N 1 +ATOM 2026 C CA . PRO A 1 276 ? 29.901 23.041 5.113 1.00 21.57 ? 276 PRO A CA 1 +ATOM 2027 C C . PRO A 1 276 ? 30.494 23.519 6.445 1.00 32.00 ? 276 PRO A C 1 +ATOM 2028 O O . PRO A 1 276 ? 31.391 22.914 7.033 1.00 33.89 ? 276 PRO A O 1 +ATOM 2029 C CB . PRO A 1 276 ? 29.117 21.743 5.303 1.00 19.25 ? 276 PRO A CB 1 +ATOM 2030 C CG . PRO A 1 276 ? 29.811 20.676 4.468 1.00 19.10 ? 276 PRO A CG 1 +ATOM 2031 C CD . PRO A 1 276 ? 31.046 21.296 3.882 1.00 15.73 ? 276 PRO A CD 1 +ATOM 2032 N N . LEU A 1 277 ? 29.962 24.630 6.904 1.00 26.14 ? 277 LEU A N 1 +ATOM 2033 C CA . LEU A 1 277 ? 30.387 25.275 8.127 1.00 26.04 ? 277 LEU A CA 1 +ATOM 2034 C C . LEU A 1 277 ? 30.459 24.293 9.268 1.00 27.62 ? 277 LEU A C 1 +ATOM 2035 O O . LEU A 1 277 ? 31.124 24.525 10.253 1.00 28.00 ? 277 LEU A O 1 +ATOM 2036 C CB . LEU A 1 277 ? 29.440 26.424 8.511 1.00 17.77 ? 277 LEU A CB 1 +ATOM 2037 C CG . LEU A 1 277 ? 29.573 27.567 7.503 1.00 30.31 ? 277 LEU A CG 1 +ATOM 2038 C CD1 . LEU A 1 277 ? 28.789 28.789 7.955 1.00 25.10 ? 277 LEU A CD1 1 +ATOM 2039 C CD2 . LEU A 1 277 ? 31.045 27.882 7.250 1.00 23.10 ? 277 LEU A CD2 1 +ATOM 2040 N N . ALA A 1 278 ? 29.710 23.229 9.152 1.00 22.85 ? 278 ALA A N 1 +ATOM 2041 C CA . ALA A 1 278 ? 29.727 22.290 10.245 1.00 27.54 ? 278 ALA A CA 1 +ATOM 2042 C C . ALA A 1 278 ? 31.100 21.685 10.401 1.00 27.36 ? 278 ALA A C 1 +ATOM 2043 O O . ALA A 1 278 ? 31.512 21.276 11.485 1.00 31.35 ? 278 ALA A O 1 +ATOM 2044 C CB . ALA A 1 278 ? 28.724 21.172 10.055 1.00 24.15 ? 278 ALA A CB 1 +ATOM 2045 N N . ARG A 1 279 ? 31.798 21.599 9.299 1.00 20.38 ? 279 ARG A N 1 +ATOM 2046 C CA . ARG A 1 279 ? 33.118 21.027 9.366 1.00 21.76 ? 279 ARG A CA 1 +ATOM 2047 C C . ARG A 1 279 ? 34.220 22.086 9.594 1.00 27.66 ? 279 ARG A C 1 +ATOM 2048 O O . ARG A 1 279 ? 35.389 21.834 9.330 1.00 16.83 ? 279 ARG A O 1 +ATOM 2049 C CB . ARG A 1 279 ? 33.387 20.193 8.140 1.00 27.01 ? 279 ARG A CB 1 +ATOM 2050 C CG . ARG A 1 279 ? 32.604 18.884 8.204 1.00 53.19 ? 279 ARG A CG 1 +ATOM 2051 C CD . ARG A 1 279 ? 33.338 17.722 7.481 1.00 30.31 ? 279 ARG A CD 1 +ATOM 2052 N NE . ARG A 1 279 ? 33.475 17.922 6.048 1.00 41.04 ? 279 ARG A NE 1 +ATOM 2053 C CZ . ARG A 1 279 ? 32.483 17.908 5.168 1.00 91.47 ? 279 ARG A CZ 1 +ATOM 2054 N NH1 . ARG A 1 279 ? 31.188 17.647 5.533 1.00 50.09 ? 279 ARG A NH1 1 +ATOM 2055 N NH2 . ARG A 1 279 ? 32.775 18.077 3.892 1.00 45.09 ? 279 ARG A NH2 1 +ATOM 2056 N N . VAL A 1 280 ? 33.853 23.275 10.116 1.00 21.09 ? 280 VAL A N 1 +ATOM 2057 C CA . VAL A 1 280 ? 34.840 24.337 10.333 1.00 20.77 ? 280 VAL A CA 1 +ATOM 2058 C C . VAL A 1 280 ? 34.679 24.993 11.676 1.00 29.23 ? 280 VAL A C 1 +ATOM 2059 O O . VAL A 1 280 ? 33.590 25.471 12.020 1.00 33.13 ? 280 VAL A O 1 +ATOM 2060 C CB . VAL A 1 280 ? 34.706 25.430 9.277 1.00 38.52 ? 280 VAL A CB 1 +ATOM 2061 C CG1 . VAL A 1 280 ? 35.645 26.593 9.588 1.00 31.75 ? 280 VAL A CG1 1 +ATOM 2062 C CG2 . VAL A 1 280 ? 34.980 24.873 7.879 1.00 40.60 ? 280 VAL A CG2 1 +ATOM 2063 N N . THR A 1 281 ? 35.787 25.015 12.428 1.00 31.42 ? 281 THR A N 1 +ATOM 2064 C CA . THR A 1 281 ? 35.763 25.581 13.753 1.00 29.12 ? 281 THR A CA 1 +ATOM 2065 C C . THR A 1 281 ? 36.798 26.647 13.894 1.00 24.12 ? 281 THR A C 1 +ATOM 2066 O O . THR A 1 281 ? 37.711 26.729 13.077 1.00 24.79 ? 281 THR A O 1 +ATOM 2067 C CB . THR A 1 281 ? 35.879 24.538 14.885 1.00 28.32 ? 281 THR A CB 1 +ATOM 2068 O OG1 . THR A 1 281 ? 37.067 23.787 14.704 1.00 22.52 ? 281 THR A OG1 1 +ATOM 2069 C CG2 . THR A 1 281 ? 34.691 23.601 14.839 1.00 19.72 ? 281 THR A CG2 1 +ATOM 2070 N N . LEU A 1 282 ? 36.602 27.448 14.929 1.00 22.18 ? 282 LEU A N 1 +ATOM 2071 C CA . LEU A 1 282 ? 37.472 28.534 15.261 1.00 20.42 ? 282 LEU A CA 1 +ATOM 2072 C C . LEU A 1 282 ? 37.831 28.458 16.739 1.00 18.17 ? 282 LEU A C 1 +ATOM 2073 O O . LEU A 1 282 ? 36.980 28.183 17.570 1.00 26.19 ? 282 LEU A O 1 +ATOM 2074 C CB . LEU A 1 282 ? 36.774 29.861 14.958 1.00 17.26 ? 282 LEU A CB 1 +ATOM 2075 C CG . LEU A 1 282 ? 37.758 31.021 15.144 1.00 21.67 ? 282 LEU A CG 1 +ATOM 2076 C CD1 . LEU A 1 282 ? 38.764 31.067 14.005 1.00 19.38 ? 282 LEU A CD1 1 +ATOM 2077 C CD2 . LEU A 1 282 ? 37.001 32.326 15.217 1.00 15.72 ? 282 LEU A CD2 1 +ATOM 2078 N N . SER A 1 283 ? 39.099 28.681 17.033 1.00 19.73 ? 283 SER A N 1 +ATOM 2079 C CA . SER A 1 283 ? 39.680 28.592 18.385 1.00 19.34 ? 283 SER A CA 1 +ATOM 2080 C C . SER A 1 283 ? 40.812 29.577 18.482 1.00 25.11 ? 283 SER A C 1 +ATOM 2081 O O . SER A 1 283 ? 41.481 29.957 17.509 1.00 22.73 ? 283 SER A O 1 +ATOM 2082 C CB . SER A 1 283 ? 40.196 27.187 18.691 1.00 18.10 ? 283 SER A CB 1 +ATOM 2083 O OG . SER A 1 283 ? 41.373 26.997 17.919 1.00 15.01 ? 283 SER A OG 1 +ATOM 2084 N N . SER A 1 284 ? 40.970 30.019 19.684 1.00 20.20 ? 284 SER A N 1 +ATOM 2085 C CA . SER A 1 284 ? 41.902 31.052 19.972 1.00 24.38 ? 284 SER A CA 1 +ATOM 2086 C C . SER A 1 284 ? 43.377 30.717 20.102 1.00 35.58 ? 284 SER A C 1 +ATOM 2087 O O . SER A 1 284 ? 44.228 31.407 19.523 1.00 29.77 ? 284 SER A O 1 +ATOM 2088 C CB . SER A 1 284 ? 41.398 31.961 21.134 1.00 27.23 ? 284 SER A CB 1 +ATOM 2089 O OG . SER A 1 284 ? 41.551 31.331 22.412 1.00 25.83 ? 284 SER A OG 1 +ATOM 2090 N N . ASP A 1 285 ? 43.677 29.705 20.903 1.00 29.28 ? 285 ASP A N 1 +ATOM 2091 C CA . ASP A 1 285 ? 45.026 29.358 21.244 1.00 29.43 ? 285 ASP A CA 1 +ATOM 2092 C C . ASP A 1 285 ? 45.464 30.399 22.314 1.00 31.20 ? 285 ASP A C 1 +ATOM 2093 O O . ASP A 1 285 ? 46.647 30.728 22.518 1.00 24.47 ? 285 ASP A O 1 +ATOM 2094 C CB . ASP A 1 285 ? 45.956 29.302 20.022 1.00 31.71 ? 285 ASP A CB 1 +ATOM 2095 C CG . ASP A 1 285 ? 47.248 28.631 20.378 1.00 47.30 ? 285 ASP A CG 1 +ATOM 2096 O OD1 . ASP A 1 285 ? 47.361 27.943 21.377 1.00 33.17 ? 285 ASP A OD1 1 +ATOM 2097 O OD2 . ASP A 1 285 ? 48.214 28.842 19.517 1.00 42.92 ? 285 ASP A OD2 1 +ATOM 2098 N N . GLY A 1 286 ? 44.467 30.945 23.026 1.00 20.40 ? 286 GLY A N 1 +ATOM 2099 C CA . GLY A 1 286 ? 44.682 31.958 24.036 1.00 7.85 ? 286 GLY A CA 1 +ATOM 2100 C C . GLY A 1 286 ? 45.660 31.499 25.067 1.00 22.72 ? 286 GLY A C 1 +ATOM 2101 O O . GLY A 1 286 ? 45.688 30.326 25.457 1.00 28.73 ? 286 GLY A O 1 +ATOM 2102 N N . ASN A 1 287 ? 46.495 32.443 25.469 1.00 20.18 ? 287 ASN A N 1 +ATOM 2103 C CA . ASN A 1 287 ? 47.520 32.176 26.465 1.00 24.08 ? 287 ASN A CA 1 +ATOM 2104 C C . ASN A 1 287 ? 48.742 31.438 26.005 1.00 26.34 ? 287 ASN A C 1 +ATOM 2105 O O . ASN A 1 287 ? 49.655 31.235 26.796 1.00 39.05 ? 287 ASN A O 1 +ATOM 2106 C CB . ASN A 1 287 ? 47.001 31.622 27.795 1.00 22.84 ? 287 ASN A CB 1 +ATOM 2107 C CG . ASN A 1 287 ? 46.689 32.838 28.619 1.00 55.58 ? 287 ASN A CG 1 +ATOM 2108 O OD1 . ASN A 1 287 ? 45.924 33.711 28.176 1.00 64.78 ? 287 ASN A OD1 1 +ATOM 2109 N ND2 . ASN A 1 287 ? 47.401 32.967 29.719 1.00 40.79 ? 287 ASN A ND2 1 +ATOM 2110 N N . GLY A 1 288 ? 48.747 31.032 24.738 1.00 32.54 ? 288 GLY A N 1 +ATOM 2111 C CA . GLY A 1 288 ? 49.892 30.352 24.166 1.00 38.78 ? 288 GLY A CA 1 +ATOM 2112 C C . GLY A 1 288 ? 50.889 31.423 23.732 1.00 38.64 ? 288 GLY A C 1 +ATOM 2113 O O . GLY A 1 288 ? 50.610 32.621 23.747 1.00 37.34 ? 288 GLY A O 1 +ATOM 2114 N N . SER A 1 289 ? 52.069 31.023 23.333 1.00 45.80 ? 289 SER A N 1 +ATOM 2115 C CA . SER A 1 289 ? 52.963 32.060 22.879 1.00 44.83 ? 289 SER A CA 1 +ATOM 2116 C C . SER A 1 289 ? 52.874 32.136 21.347 1.00 47.80 ? 289 SER A C 1 +ATOM 2117 O O . SER A 1 289 ? 52.390 31.218 20.656 1.00 49.88 ? 289 SER A O 1 +ATOM 2118 C CB . SER A 1 289 ? 54.389 31.849 23.368 1.00 39.24 ? 289 SER A CB 1 +ATOM 2119 O OG . SER A 1 289 ? 54.778 30.520 23.106 1.00 41.88 ? 289 SER A OG 1 +ATOM 2120 N N . GLN A 1 290 ? 53.368 33.256 20.844 1.00 43.79 ? 290 GLN A N 1 +ATOM 2121 C CA . GLN A 1 290 ? 53.471 33.598 19.448 1.00 43.05 ? 290 GLN A CA 1 +ATOM 2122 C C . GLN A 1 290 ? 54.964 33.674 19.146 1.00 47.14 ? 290 GLN A C 1 +ATOM 2123 O O . GLN A 1 290 ? 55.609 34.750 19.115 1.00 46.46 ? 290 GLN A O 1 +ATOM 2124 C CB . GLN A 1 290 ? 52.798 34.956 19.217 1.00 50.61 ? 290 GLN A CB 1 +ATOM 2125 C CG . GLN A 1 290 ? 51.314 34.947 19.635 1.00 85.09 ? 290 GLN A CG 1 +ATOM 2126 C CD . GLN A 1 290 ? 50.650 36.254 19.249 1.00 100.00 ? 290 GLN A CD 1 +ATOM 2127 O OE1 . GLN A 1 290 ? 49.468 36.281 18.820 1.00 100.00 ? 290 GLN A OE1 1 +ATOM 2128 N NE2 . GLN A 1 290 ? 51.423 37.360 19.402 1.00 100.00 ? 290 GLN A NE2 1 +ATOM 2129 N N . PRO A 1 291 ? 55.496 32.464 18.985 1.00 66.34 ? 291 PRO A N 1 +ATOM 2130 C CA . PRO A 1 291 ? 56.907 32.261 18.707 1.00 68.13 ? 291 PRO A CA 1 +ATOM 2131 C C . PRO A 1 291 ? 57.182 32.331 17.205 1.00 69.63 ? 291 PRO A C 1 +ATOM 2132 O O . PRO A 1 291 ? 56.592 31.660 16.351 1.00 67.76 ? 291 PRO A O 1 +ATOM 2133 C CB . PRO A 1 291 ? 57.261 30.889 19.308 1.00 65.54 ? 291 PRO A CB 1 +ATOM 2134 C CG . PRO A 1 291 ? 55.949 30.232 19.737 1.00 67.61 ? 291 PRO A CG 1 +ATOM 2135 C CD . PRO A 1 291 ? 54.830 31.166 19.302 1.00 65.17 ? 291 PRO A CD 1 +ATOM 2136 N N . PHE A 1 292 ? 58.077 33.210 16.850 1.00 68.38 ? 292 PHE A N 1 +ATOM 2137 C CA . PHE A 1 292 ? 58.368 33.320 15.442 1.00 63.80 ? 292 PHE A CA 1 +ATOM 2138 C C . PHE A 1 292 ? 59.749 32.748 15.194 1.00 63.73 ? 292 PHE A C 1 +ATOM 2139 O O . PHE A 1 292 ? 60.717 33.091 15.887 1.00 48.07 ? 292 PHE A O 1 +ATOM 2140 C CB . PHE A 1 292 ? 58.114 34.747 14.920 1.00 65.27 ? 292 PHE A CB 1 +ATOM 2141 C CG . PHE A 1 292 ? 56.636 35.065 14.978 1.00 88.15 ? 292 PHE A CG 1 +ATOM 2142 C CD1 . PHE A 1 292 ? 55.970 35.320 16.182 1.00 100.00 ? 292 PHE A CD1 1 +ATOM 2143 C CD2 . PHE A 1 292 ? 55.891 35.070 13.801 1.00 100.00 ? 292 PHE A CD2 1 +ATOM 2144 C CE1 . PHE A 1 292 ? 54.605 35.606 16.219 1.00 100.00 ? 292 PHE A CE1 1 +ATOM 2145 C CE2 . PHE A 1 292 ? 54.525 35.350 13.813 1.00 100.00 ? 292 PHE A CE2 1 +ATOM 2146 C CZ . PHE A 1 292 ? 53.883 35.621 15.024 1.00 100.00 ? 292 PHE A CZ 1 +ATOM 2147 N N . PHE A 1 293 ? 59.843 31.823 14.252 1.00 62.31 ? 293 PHE A N 1 +ATOM 2148 C CA . PHE A 1 293 ? 61.143 31.234 14.034 1.00 65.23 ? 293 PHE A CA 1 +ATOM 2149 C C . PHE A 1 293 ? 61.735 31.622 12.701 1.00 73.54 ? 293 PHE A C 1 +ATOM 2150 O O . PHE A 1 293 ? 61.002 31.769 11.716 1.00 78.84 ? 293 PHE A O 1 +ATOM 2151 C CB . PHE A 1 293 ? 61.146 29.699 14.248 1.00 66.63 ? 293 PHE A CB 1 +ATOM 2152 C CG . PHE A 1 293 ? 60.911 29.210 15.667 1.00 67.19 ? 293 PHE A CG 1 +ATOM 2153 C CD1 . PHE A 1 293 ? 59.619 29.065 16.186 1.00 66.90 ? 293 PHE A CD1 1 +ATOM 2154 C CD2 . PHE A 1 293 ? 61.984 28.834 16.479 1.00 72.23 ? 293 PHE A CD2 1 +ATOM 2155 C CE1 . PHE A 1 293 ? 59.399 28.578 17.476 1.00 69.08 ? 293 PHE A CE1 1 +ATOM 2156 C CE2 . PHE A 1 293 ? 61.790 28.352 17.777 1.00 77.25 ? 293 PHE A CE2 1 +ATOM 2157 C CZ . PHE A 1 293 ? 60.491 28.230 18.274 1.00 75.32 ? 293 PHE A CZ 1 +ATOM 2158 N N . ASP A 1 294 ? 63.066 31.784 12.702 1.00 70.59 ? 294 ASP A N 1 +ATOM 2159 C CA . ASP A 1 294 ? 63.874 32.138 11.551 1.00 76.41 ? 294 ASP A CA 1 +ATOM 2160 C C . ASP A 1 294 ? 63.911 31.019 10.492 1.00 84.23 ? 294 ASP A C 1 +ATOM 2161 O O . ASP A 1 294 ? 63.030 30.151 10.408 1.00 65.34 ? 294 ASP A O 1 +ATOM 2162 C CB . ASP A 1 294 ? 65.321 32.490 12.007 1.00 79.32 ? 294 ASP A CB 1 +ATOM 2163 C CG . ASP A 1 294 ? 66.216 33.239 11.043 1.00 100.00 ? 294 ASP A CG 1 +ATOM 2164 O OD1 . ASP A 1 294 ? 65.829 33.744 9.980 1.00 100.00 ? 294 ASP A OD1 1 +ATOM 2165 O OD2 . ASP A 1 294 ? 67.438 33.287 11.495 1.00 100.00 ? 294 ASP A OD2 1 +ATOM 2166 N N . ASP A 1 295 ? 64.987 31.108 9.687 1.00 85.38 ? 295 ASP A N 1 +ATOM 2167 C CA . ASP A 1 295 ? 65.364 30.237 8.606 1.00 92.28 ? 295 ASP A CA 1 +ATOM 2168 C C . ASP A 1 295 ? 66.109 29.041 9.190 1.00 97.82 ? 295 ASP A C 1 +ATOM 2169 O O . ASP A 1 295 ? 65.894 27.887 8.796 1.00 100.00 ? 295 ASP A O 1 +ATOM 2170 C CB . ASP A 1 295 ? 66.266 30.974 7.609 1.00 99.13 ? 295 ASP A CB 1 +ATOM 2171 C CG . ASP A 1 295 ? 65.509 31.995 6.752 1.00 100.00 ? 295 ASP A CG 1 +ATOM 2172 O OD1 . ASP A 1 295 ? 64.351 31.770 6.395 1.00 100.00 ? 295 ASP A OD1 1 +ATOM 2173 O OD2 . ASP A 1 295 ? 66.206 33.077 6.458 1.00 100.00 ? 295 ASP A OD2 1 +ATOM 2174 N N . GLU A 1 296 ? 66.980 29.311 10.170 1.00 91.05 ? 296 GLU A N 1 +ATOM 2175 C CA . GLU A 1 296 ? 67.730 28.227 10.782 1.00 90.95 ? 296 GLU A CA 1 +ATOM 2176 C C . GLU A 1 296 ? 67.034 27.590 11.977 1.00 77.77 ? 296 GLU A C 1 +ATOM 2177 O O . GLU A 1 296 ? 67.604 26.802 12.730 1.00 69.95 ? 296 GLU A O 1 +ATOM 2178 C CB . GLU A 1 296 ? 69.214 28.556 11.024 1.00 96.24 ? 296 GLU A CB 1 +ATOM 2179 C CG . GLU A 1 296 ? 70.000 28.872 9.726 1.00 100.00 ? 296 GLU A CG 1 +ATOM 2180 C CD . GLU A 1 296 ? 71.404 29.428 9.961 1.00 100.00 ? 296 GLU A CD 1 +ATOM 2181 O OE1 . GLU A 1 296 ? 72.049 29.151 11.005 1.00 100.00 ? 296 GLU A OE1 1 +ATOM 2182 O OE2 . GLU A 1 296 ? 71.856 30.165 8.950 1.00 100.00 ? 296 GLU A OE2 1 +ATOM 2183 N N . GLY A 1 297 ? 65.761 27.958 12.127 1.00 70.41 ? 297 GLY A N 1 +ATOM 2184 C CA . GLY A 1 297 ? 64.841 27.516 13.170 1.00 61.04 ? 297 GLY A CA 1 +ATOM 2185 C C . GLY A 1 297 ? 65.106 28.267 14.473 1.00 68.12 ? 297 GLY A C 1 +ATOM 2186 O O . GLY A 1 297 ? 64.879 27.773 15.565 1.00 73.64 ? 297 GLY A O 1 +ATOM 2187 N N . ASN A 1 298 ? 65.581 29.506 14.318 1.00 63.66 ? 298 ASN A N 1 +ATOM 2188 C CA . ASN A 1 298 ? 65.914 30.304 15.472 1.00 64.26 ? 298 ASN A CA 1 +ATOM 2189 C C . ASN A 1 298 ? 64.784 31.243 15.860 1.00 61.25 ? 298 ASN A C 1 +ATOM 2190 O O . ASN A 1 298 ? 64.205 31.892 14.987 1.00 43.90 ? 298 ASN A O 1 +ATOM 2191 C CB . ASN A 1 298 ? 67.256 31.052 15.293 1.00 64.29 ? 298 ASN A CB 1 +ATOM 2192 C CG . ASN A 1 298 ? 68.406 30.082 15.033 1.00 95.53 ? 298 ASN A CG 1 +ATOM 2193 O OD1 . ASN A 1 298 ? 68.386 28.917 15.504 1.00 47.58 ? 298 ASN A OD1 1 +ATOM 2194 N ND2 . ASN A 1 298 ? 69.427 30.526 14.346 1.00 69.02 ? 298 ASN A ND2 1 +ATOM 2195 N N . LEU A 1 299 ? 64.462 31.307 17.161 1.00 58.43 ? 299 LEU A N 1 +ATOM 2196 C CA . LEU A 1 299 ? 63.415 32.209 17.594 1.00 68.73 ? 299 LEU A CA 1 +ATOM 2197 C C . LEU A 1 299 ? 63.903 33.645 17.420 1.00 76.52 ? 299 LEU A C 1 +ATOM 2198 O O . LEU A 1 299 ? 65.103 33.953 17.606 1.00 73.91 ? 299 LEU A O 1 +ATOM 2199 C CB . LEU A 1 299 ? 62.837 31.969 19.026 1.00 71.88 ? 299 LEU A CB 1 +ATOM 2200 C CG . LEU A 1 299 ? 61.865 33.060 19.501 1.00 68.10 ? 299 LEU A CG 1 +ATOM 2201 C CD1 . LEU A 1 299 ? 60.550 32.411 19.884 1.00 66.60 ? 299 LEU A CD1 1 +ATOM 2202 C CD2 . LEU A 1 299 ? 62.422 33.825 20.701 1.00 77.58 ? 299 LEU A CD2 1 +ATOM 2203 N N . THR A 1 300 ? 62.935 34.510 17.129 1.00 64.85 ? 300 THR A N 1 +ATOM 2204 C CA . THR A 1 300 ? 63.144 35.906 16.875 1.00 58.36 ? 300 THR A CA 1 +ATOM 2205 C C . THR A 1 300 ? 62.291 36.803 17.744 1.00 62.74 ? 300 THR A C 1 +ATOM 2206 O O . THR A 1 300 ? 62.712 37.627 18.558 1.00 62.22 ? 300 THR A O 1 +ATOM 2207 C CB . THR A 1 300 ? 62.652 36.091 15.421 1.00 81.61 ? 300 THR A CB 1 +ATOM 2208 O OG1 . THR A 1 300 ? 62.887 34.907 14.680 1.00 95.96 ? 300 THR A OG1 1 +ATOM 2209 C CG2 . THR A 1 300 ? 63.315 37.296 14.765 1.00 100.00 ? 300 THR A CG2 1 +ATOM 2210 N N . HIS A 1 301 ? 61.035 36.583 17.501 1.00 57.25 ? 301 HIS A N 1 +ATOM 2211 C CA . HIS A 1 301 ? 59.984 37.300 18.095 1.00 55.17 ? 301 HIS A CA 1 +ATOM 2212 C C . HIS A 1 301 ? 59.140 36.279 18.855 1.00 57.66 ? 301 HIS A C 1 +ATOM 2213 O O . HIS A 1 301 ? 59.112 35.106 18.463 1.00 42.87 ? 301 HIS A O 1 +ATOM 2214 C CB . HIS A 1 301 ? 59.338 37.926 16.806 1.00 63.04 ? 301 HIS A CB 1 +ATOM 2215 C CG . HIS A 1 301 ? 58.088 38.691 16.942 1.00 85.55 ? 301 HIS A CG 1 +ATOM 2216 N ND1 . HIS A 1 301 ? 56.867 38.099 16.793 1.00 95.78 ? 301 HIS A ND1 1 +ATOM 2217 C CD2 . HIS A 1 301 ? 57.889 39.992 17.291 1.00 100.00 ? 301 HIS A CD2 1 +ATOM 2218 C CE1 . HIS A 1 301 ? 55.950 39.017 16.992 1.00 100.00 ? 301 HIS A CE1 1 +ATOM 2219 N NE2 . HIS A 1 301 ? 56.529 40.172 17.327 1.00 100.00 ? 301 HIS A NE2 1 +ATOM 2220 N N . ILE A 1 302 ? 58.515 36.712 19.960 1.00 47.47 ? 302 ILE A N 1 +ATOM 2221 C CA . ILE A 1 302 ? 57.646 35.887 20.785 1.00 48.50 ? 302 ILE A CA 1 +ATOM 2222 C C . ILE A 1 302 ? 56.581 36.750 21.485 1.00 68.07 ? 302 ILE A C 1 +ATOM 2223 O O . ILE A 1 302 ? 56.910 37.761 22.098 1.00 64.43 ? 302 ILE A O 1 +ATOM 2224 C CB . ILE A 1 302 ? 58.427 35.052 21.798 1.00 48.76 ? 302 ILE A CB 1 +ATOM 2225 C CG1 . ILE A 1 302 ? 57.524 34.018 22.469 1.00 39.26 ? 302 ILE A CG1 1 +ATOM 2226 C CG2 . ILE A 1 302 ? 59.151 35.928 22.824 1.00 48.88 ? 302 ILE A CG2 1 +ATOM 2227 C CD1 . ILE A 1 302 ? 58.112 32.605 22.412 1.00 54.48 ? 302 ILE A CD1 1 +ATOM 2228 N N . GLY A 1 303 ? 55.300 36.342 21.366 1.00 62.68 ? 303 GLY A N 1 +ATOM 2229 C CA . GLY A 1 303 ? 54.179 37.063 21.984 1.00 61.97 ? 303 GLY A CA 1 +ATOM 2230 C C . GLY A 1 303 ? 53.119 36.197 22.661 1.00 43.21 ? 303 GLY A C 1 +ATOM 2231 O O . GLY A 1 303 ? 53.190 34.961 22.662 1.00 41.86 ? 303 GLY A O 1 +ATOM 2232 N N . VAL A 1 304 ? 52.110 36.834 23.249 1.00 46.19 ? 304 VAL A N 1 +ATOM 2233 C CA . VAL A 1 304 ? 51.067 36.052 23.915 1.00 48.48 ? 304 VAL A CA 1 +ATOM 2234 C C . VAL A 1 304 ? 49.602 36.325 23.543 1.00 41.98 ? 304 VAL A C 1 +ATOM 2235 O O . VAL A 1 304 ? 49.036 37.389 23.771 1.00 52.70 ? 304 VAL A O 1 +ATOM 2236 C CB . VAL A 1 304 ? 51.222 35.978 25.411 1.00 34.69 ? 304 VAL A CB 1 +ATOM 2237 C CG1 . VAL A 1 304 ? 51.061 37.401 25.916 1.00 40.24 ? 304 VAL A CG1 1 +ATOM 2238 C CG2 . VAL A 1 304 ? 50.113 35.077 25.949 1.00 25.25 ? 304 VAL A CG2 1 +ATOM 2239 N N . ALA A 1 305 ? 48.995 35.279 23.000 1.00 28.73 ? 305 ALA A N 1 +ATOM 2240 C CA . ALA A 1 305 ? 47.617 35.292 22.564 1.00 21.85 ? 305 ALA A CA 1 +ATOM 2241 C C . ALA A 1 305 ? 46.552 35.547 23.636 1.00 22.66 ? 305 ALA A C 1 +ATOM 2242 O O . ALA A 1 305 ? 46.599 35.075 24.771 1.00 39.70 ? 305 ALA A O 1 +ATOM 2243 C CB . ALA A 1 305 ? 47.303 34.059 21.718 1.00 14.43 ? 305 ALA A CB 1 +ATOM 2244 N N . GLY A 1 306 ? 45.546 36.294 23.186 1.00 34.77 ? 306 GLY A N 1 +ATOM 2245 C CA . GLY A 1 306 ? 44.351 36.713 23.897 1.00 36.72 ? 306 GLY A CA 1 +ATOM 2246 C C . GLY A 1 306 ? 43.102 36.115 23.236 1.00 16.76 ? 306 GLY A C 1 +ATOM 2247 O O . GLY A 1 306 ? 43.197 35.289 22.323 1.00 22.16 ? 306 GLY A O 1 +ATOM 2248 N N . PHE A 1 307 ? 41.935 36.523 23.725 1.00 28.29 ? 307 PHE A N 1 +ATOM 2249 C CA . PHE A 1 307 ? 40.677 35.988 23.257 1.00 28.55 ? 307 PHE A CA 1 +ATOM 2250 C C . PHE A 1 307 ? 39.827 36.932 22.426 1.00 32.26 ? 307 PHE A C 1 +ATOM 2251 O O . PHE A 1 307 ? 38.801 36.547 21.879 1.00 31.87 ? 307 PHE A O 1 +ATOM 2252 C CB . PHE A 1 307 ? 39.896 35.321 24.414 1.00 27.99 ? 307 PHE A CB 1 +ATOM 2253 C CG . PHE A 1 307 ? 40.730 34.318 25.229 1.00 32.17 ? 307 PHE A CG 1 +ATOM 2254 C CD1 . PHE A 1 307 ? 41.479 34.719 26.344 1.00 41.25 ? 307 PHE A CD1 1 +ATOM 2255 C CD2 . PHE A 1 307 ? 40.719 32.954 24.924 1.00 20.38 ? 307 PHE A CD2 1 +ATOM 2256 C CE1 . PHE A 1 307 ? 42.209 33.811 27.114 1.00 43.93 ? 307 PHE A CE1 1 +ATOM 2257 C CE2 . PHE A 1 307 ? 41.449 32.030 25.672 1.00 26.29 ? 307 PHE A CE2 1 +ATOM 2258 C CZ . PHE A 1 307 ? 42.200 32.457 26.772 1.00 26.40 ? 307 PHE A CZ 1 +ATOM 2259 N N . GLU A 1 308 ? 40.262 38.172 22.315 1.00 24.91 ? 308 GLU A N 1 +ATOM 2260 C CA . GLU A 1 308 ? 39.543 39.165 21.516 1.00 27.24 ? 308 GLU A CA 1 +ATOM 2261 C C . GLU A 1 308 ? 39.425 38.789 20.025 1.00 22.64 ? 308 GLU A C 1 +ATOM 2262 O O . GLU A 1 308 ? 38.470 39.142 19.340 1.00 26.78 ? 308 GLU A O 1 +ATOM 2263 C CB . GLU A 1 308 ? 40.099 40.586 21.755 1.00 21.51 ? 308 GLU A CB 1 +ATOM 2264 C CG . GLU A 1 308 ? 41.428 40.800 21.000 1.00 43.97 ? 308 GLU A CG 1 +ATOM 2265 C CD . GLU A 1 308 ? 42.599 40.233 21.750 1.00 85.69 ? 308 GLU A CD 1 +ATOM 2266 O OE1 . GLU A 1 308 ? 42.646 40.209 22.962 1.00 55.53 ? 308 GLU A OE1 1 +ATOM 2267 O OE2 . GLU A 1 308 ? 43.561 39.791 20.974 1.00 40.24 ? 308 GLU A OE2 1 +ATOM 2268 N N . THR A 1 309 ? 40.352 37.995 19.508 1.00 22.18 ? 309 THR A N 1 +ATOM 2269 C CA . THR A 1 309 ? 40.256 37.629 18.125 1.00 12.24 ? 309 THR A CA 1 +ATOM 2270 C C . THR A 1 309 ? 39.012 36.862 17.792 1.00 26.09 ? 309 THR A C 1 +ATOM 2271 O O . THR A 1 309 ? 38.604 36.799 16.652 1.00 29.52 ? 309 THR A O 1 +ATOM 2272 C CB . THR A 1 309 ? 41.533 36.941 17.659 1.00 30.43 ? 309 THR A CB 1 +ATOM 2273 O OG1 . THR A 1 309 ? 41.679 35.759 18.409 1.00 26.97 ? 309 THR A OG1 1 +ATOM 2274 C CG2 . THR A 1 309 ? 42.684 37.882 17.960 1.00 23.06 ? 309 THR A CG2 1 +ATOM 2275 N N . LEU A 1 310 ? 38.398 36.251 18.767 1.00 30.26 ? 310 LEU A N 1 +ATOM 2276 C CA . LEU A 1 310 ? 37.213 35.492 18.449 1.00 21.83 ? 310 LEU A CA 1 +ATOM 2277 C C . LEU A 1 310 ? 36.055 36.390 17.969 1.00 20.63 ? 310 LEU A C 1 +ATOM 2278 O O . LEU A 1 310 ? 35.562 36.286 16.856 1.00 23.72 ? 310 LEU A O 1 +ATOM 2279 C CB . LEU A 1 310 ? 36.807 34.617 19.665 1.00 23.24 ? 310 LEU A CB 1 +ATOM 2280 C CG . LEU A 1 310 ? 37.869 33.575 20.100 1.00 26.91 ? 310 LEU A CG 1 +ATOM 2281 C CD1 . LEU A 1 310 ? 37.456 32.971 21.427 1.00 18.73 ? 310 LEU A CD1 1 +ATOM 2282 C CD2 . LEU A 1 310 ? 38.076 32.457 19.058 1.00 20.66 ? 310 LEU A CD2 1 +ATOM 2283 N N . LEU A 1 311 ? 35.637 37.300 18.834 1.00 21.72 ? 311 LEU A N 1 +ATOM 2284 C CA . LEU A 1 311 ? 34.582 38.200 18.513 1.00 31.99 ? 311 LEU A CA 1 +ATOM 2285 C C . LEU A 1 311 ? 34.975 38.998 17.302 1.00 29.97 ? 311 LEU A C 1 +ATOM 2286 O O . LEU A 1 311 ? 34.209 39.276 16.388 1.00 20.90 ? 311 LEU A O 1 +ATOM 2287 C CB . LEU A 1 311 ? 34.387 39.129 19.720 1.00 38.77 ? 311 LEU A CB 1 +ATOM 2288 C CG . LEU A 1 311 ? 33.129 39.991 19.614 1.00 34.35 ? 311 LEU A CG 1 +ATOM 2289 C CD1 . LEU A 1 311 ? 31.907 39.123 19.398 1.00 24.85 ? 311 LEU A CD1 1 +ATOM 2290 C CD2 . LEU A 1 311 ? 32.935 40.825 20.872 1.00 28.48 ? 311 LEU A CD2 1 +ATOM 2291 N N . GLU A 1 312 ? 36.230 39.351 17.267 1.00 24.36 ? 312 GLU A N 1 +ATOM 2292 C CA . GLU A 1 312 ? 36.648 40.118 16.135 1.00 23.85 ? 312 GLU A CA 1 +ATOM 2293 C C . GLU A 1 312 ? 36.349 39.467 14.791 1.00 31.86 ? 312 GLU A C 1 +ATOM 2294 O O . GLU A 1 312 ? 35.975 40.127 13.829 1.00 39.73 ? 312 GLU A O 1 +ATOM 2295 C CB . GLU A 1 312 ? 38.127 40.468 16.270 1.00 30.78 ? 312 GLU A CB 1 +ATOM 2296 C CG . GLU A 1 312 ? 38.358 41.574 17.331 1.00 58.79 ? 312 GLU A CG 1 +ATOM 2297 C CD . GLU A 1 312 ? 39.803 41.803 17.683 1.00 100.00 ? 312 GLU A CD 1 +ATOM 2298 O OE1 . GLU A 1 312 ? 40.722 41.162 17.171 1.00 48.64 ? 312 GLU A OE1 1 +ATOM 2299 O OE2 . GLU A 1 312 ? 39.964 42.779 18.583 1.00 72.69 ? 312 GLU A OE2 1 +ATOM 2300 N N . THR A 1 313 ? 36.550 38.180 14.747 1.00 21.82 ? 313 THR A N 1 +ATOM 2301 C CA . THR A 1 313 ? 36.365 37.389 13.562 1.00 29.82 ? 313 THR A CA 1 +ATOM 2302 C C . THR A 1 313 ? 34.900 37.409 13.142 1.00 31.09 ? 313 THR A C 1 +ATOM 2303 O O . THR A 1 313 ? 34.574 37.645 11.983 1.00 36.27 ? 313 THR A O 1 +ATOM 2304 C CB . THR A 1 313 ? 36.968 35.973 13.761 1.00 21.99 ? 313 THR A CB 1 +ATOM 2305 O OG1 . THR A 1 313 ? 38.290 36.102 14.214 1.00 24.36 ? 313 THR A OG1 1 +ATOM 2306 C CG2 . THR A 1 313 ? 37.081 35.227 12.469 1.00 4.68 ? 313 THR A CG2 1 +ATOM 2307 N N . VAL A 1 314 ? 34.024 37.212 14.110 1.00 25.80 ? 314 VAL A N 1 +ATOM 2308 C CA . VAL A 1 314 ? 32.602 37.225 13.869 1.00 25.99 ? 314 VAL A CA 1 +ATOM 2309 C C . VAL A 1 314 ? 32.198 38.554 13.219 1.00 39.98 ? 314 VAL A C 1 +ATOM 2310 O O . VAL A 1 314 ? 31.582 38.650 12.151 1.00 35.86 ? 314 VAL A O 1 +ATOM 2311 C CB . VAL A 1 314 ? 31.894 36.992 15.181 1.00 27.25 ? 314 VAL A CB 1 +ATOM 2312 C CG1 . VAL A 1 314 ? 30.406 37.210 14.965 1.00 28.37 ? 314 VAL A CG1 1 +ATOM 2313 C CG2 . VAL A 1 314 ? 32.154 35.560 15.648 1.00 24.99 ? 314 VAL A CG2 1 +ATOM 2314 N N . GLN A 1 315 ? 32.610 39.606 13.880 1.00 26.41 ? 315 GLN A N 1 +ATOM 2315 C CA . GLN A 1 315 ? 32.376 40.929 13.410 1.00 27.89 ? 315 GLN A CA 1 +ATOM 2316 C C . GLN A 1 315 ? 32.750 41.086 11.933 1.00 47.92 ? 315 GLN A C 1 +ATOM 2317 O O . GLN A 1 315 ? 31.910 41.370 11.065 1.00 52.83 ? 315 GLN A O 1 +ATOM 2318 C CB . GLN A 1 315 ? 33.181 41.865 14.290 1.00 21.64 ? 315 GLN A CB 1 +ATOM 2319 C CG . GLN A 1 315 ? 32.485 42.037 15.641 1.00 31.38 ? 315 GLN A CG 1 +ATOM 2320 C CD . GLN A 1 315 ? 33.319 42.879 16.599 1.00 61.14 ? 315 GLN A CD 1 +ATOM 2321 O OE1 . GLN A 1 315 ? 32.836 43.363 17.646 1.00 38.64 ? 315 GLN A OE1 1 +ATOM 2322 N NE2 . GLN A 1 315 ? 34.582 43.069 16.229 1.00 36.32 ? 315 GLN A NE2 1 +ATOM 2323 N N . VAL A 1 316 ? 34.033 40.890 11.672 1.00 30.83 ? 316 VAL A N 1 +ATOM 2324 C CA . VAL A 1 316 ? 34.541 40.940 10.327 1.00 32.78 ? 316 VAL A CA 1 +ATOM 2325 C C . VAL A 1 316 ? 33.718 40.139 9.350 1.00 33.86 ? 316 VAL A C 1 +ATOM 2326 O O . VAL A 1 316 ? 33.407 40.608 8.243 1.00 28.22 ? 316 VAL A O 1 +ATOM 2327 C CB . VAL A 1 316 ? 35.934 40.346 10.286 1.00 31.37 ? 316 VAL A CB 1 +ATOM 2328 C CG1 . VAL A 1 316 ? 36.490 40.319 8.847 1.00 23.60 ? 316 VAL A CG1 1 +ATOM 2329 C CG2 . VAL A 1 316 ? 36.799 41.242 11.144 1.00 21.70 ? 316 VAL A CG2 1 +ATOM 2330 N N . LEU A 1 317 ? 33.409 38.902 9.727 1.00 31.21 ? 317 LEU A N 1 +ATOM 2331 C CA . LEU A 1 317 ? 32.655 38.060 8.806 1.00 37.30 ? 317 LEU A CA 1 +ATOM 2332 C C . LEU A 1 317 ? 31.384 38.732 8.301 1.00 39.00 ? 317 LEU A C 1 +ATOM 2333 O O . LEU A 1 317 ? 31.090 38.826 7.112 1.00 38.34 ? 317 LEU A O 1 +ATOM 2334 C CB . LEU A 1 317 ? 32.313 36.710 9.422 1.00 36.95 ? 317 LEU A CB 1 +ATOM 2335 C CG . LEU A 1 317 ? 33.491 35.769 9.424 1.00 38.07 ? 317 LEU A CG 1 +ATOM 2336 C CD1 . LEU A 1 317 ? 33.195 34.677 10.434 1.00 25.70 ? 317 LEU A CD1 1 +ATOM 2337 C CD2 . LEU A 1 317 ? 33.713 35.170 8.044 1.00 19.85 ? 317 LEU A CD2 1 +ATOM 2338 N N . VAL A 1 318 ? 30.622 39.166 9.274 1.00 47.07 ? 318 VAL A N 1 +ATOM 2339 C CA . VAL A 1 318 ? 29.370 39.840 9.065 1.00 43.98 ? 318 VAL A CA 1 +ATOM 2340 C C . VAL A 1 318 ? 29.619 41.132 8.318 1.00 49.16 ? 318 VAL A C 1 +ATOM 2341 O O . VAL A 1 318 ? 29.176 41.331 7.201 1.00 46.47 ? 318 VAL A O 1 +ATOM 2342 C CB . VAL A 1 318 ? 28.766 40.132 10.428 1.00 37.18 ? 318 VAL A CB 1 +ATOM 2343 C CG1 . VAL A 1 318 ? 27.525 40.976 10.246 1.00 39.39 ? 318 VAL A CG1 1 +ATOM 2344 C CG2 . VAL A 1 318 ? 28.368 38.822 11.092 1.00 27.45 ? 318 VAL A CG2 1 +ATOM 2345 N N . LYS A 1 319 ? 30.389 41.983 8.963 1.00 36.77 ? 319 LYS A N 1 +ATOM 2346 C CA . LYS A 1 319 ? 30.768 43.266 8.454 1.00 33.22 ? 319 LYS A CA 1 +ATOM 2347 C C . LYS A 1 319 ? 31.545 43.338 7.129 1.00 47.89 ? 319 LYS A C 1 +ATOM 2348 O O . LYS A 1 319 ? 31.218 44.155 6.285 1.00 66.23 ? 319 LYS A O 1 +ATOM 2349 C CB . LYS A 1 319 ? 31.483 44.044 9.524 1.00 51.21 ? 319 LYS A CB 1 +ATOM 2350 C CG . LYS A 1 319 ? 32.536 44.977 8.977 1.00 91.79 ? 319 LYS A CG 1 +ATOM 2351 C CD . LYS A 1 319 ? 33.718 45.161 9.916 1.00 100.00 ? 319 LYS A CD 1 +ATOM 2352 C CE . LYS A 1 319 ? 34.870 45.927 9.321 1.00 100.00 ? 319 LYS A CE 1 +ATOM 2353 N NZ . LYS A 1 319 ? 36.109 45.837 10.076 1.00 100.00 ? 319 LYS A NZ 1 +ATOM 2354 N N . ASP A 1 320 ? 32.597 42.576 6.912 1.00 34.34 ? 320 ASP A N 1 +ATOM 2355 C CA . ASP A 1 320 ? 33.300 42.713 5.635 1.00 25.37 ? 320 ASP A CA 1 +ATOM 2356 C C . ASP A 1 320 ? 33.114 41.511 4.773 1.00 35.81 ? 320 ASP A C 1 +ATOM 2357 O O . ASP A 1 320 ? 33.757 41.403 3.744 1.00 45.67 ? 320 ASP A O 1 +ATOM 2358 C CB . ASP A 1 320 ? 34.827 42.672 5.779 1.00 35.25 ? 320 ASP A CB 1 +ATOM 2359 C CG . ASP A 1 320 ? 35.466 43.753 6.577 1.00 41.16 ? 320 ASP A CG 1 +ATOM 2360 O OD1 . ASP A 1 320 ? 35.094 44.905 6.528 1.00 77.93 ? 320 ASP A OD1 1 +ATOM 2361 O OD2 . ASP A 1 320 ? 36.481 43.327 7.272 1.00 74.53 ? 320 ASP A OD2 1 +ATOM 2362 N N . TYR A 1 321 ? 32.325 40.560 5.193 1.00 26.80 ? 321 TYR A N 1 +ATOM 2363 C CA . TYR A 1 321 ? 32.280 39.447 4.289 1.00 31.89 ? 321 TYR A CA 1 +ATOM 2364 C C . TYR A 1 321 ? 30.896 39.070 3.877 1.00 35.88 ? 321 TYR A C 1 +ATOM 2365 O O . TYR A 1 321 ? 30.769 38.188 3.034 1.00 34.36 ? 321 TYR A O 1 +ATOM 2366 C CB . TYR A 1 321 ? 32.977 38.221 4.870 1.00 39.18 ? 321 TYR A CB 1 +ATOM 2367 C CG . TYR A 1 321 ? 34.458 38.257 4.697 1.00 39.96 ? 321 TYR A CG 1 +ATOM 2368 C CD1 . TYR A 1 321 ? 35.263 39.032 5.536 1.00 35.88 ? 321 TYR A CD1 1 +ATOM 2369 C CD2 . TYR A 1 321 ? 35.066 37.499 3.697 1.00 43.80 ? 321 TYR A CD2 1 +ATOM 2370 C CE1 . TYR A 1 321 ? 36.650 39.035 5.380 1.00 38.30 ? 321 TYR A CE1 1 +ATOM 2371 C CE2 . TYR A 1 321 ? 36.453 37.490 3.529 1.00 36.49 ? 321 TYR A CE2 1 +ATOM 2372 C CZ . TYR A 1 321 ? 37.247 38.270 4.372 1.00 19.11 ? 321 TYR A CZ 1 +ATOM 2373 O OH . TYR A 1 321 ? 38.627 38.285 4.231 1.00 42.63 ? 321 TYR A OH 1 +ATOM 2374 N N . ASP A 1 322 ? 29.876 39.690 4.471 1.00 24.96 ? 322 ASP A N 1 +ATOM 2375 C CA . ASP A 1 322 ? 28.546 39.307 4.029 1.00 36.58 ? 322 ASP A CA 1 +ATOM 2376 C C . ASP A 1 322 ? 28.123 37.944 4.497 1.00 38.72 ? 322 ASP A C 1 +ATOM 2377 O O . ASP A 1 322 ? 27.398 37.253 3.791 1.00 33.57 ? 322 ASP A O 1 +ATOM 2378 C CB . ASP A 1 322 ? 28.292 39.454 2.508 1.00 28.41 ? 322 ASP A CB 1 +ATOM 2379 C CG . ASP A 1 322 ? 28.228 40.889 2.101 1.00 34.62 ? 322 ASP A CG 1 +ATOM 2380 O OD1 . ASP A 1 322 ? 27.552 41.704 2.717 1.00 47.25 ? 322 ASP A OD1 1 +ATOM 2381 O OD2 . ASP A 1 322 ? 29.043 41.200 1.133 1.00 33.09 ? 322 ASP A OD2 1 +ATOM 2382 N N . PHE A 1 323 ? 28.553 37.583 5.676 1.00 23.20 ? 323 PHE A N 1 +ATOM 2383 C CA . PHE A 1 323 ? 28.131 36.326 6.230 1.00 33.47 ? 323 PHE A CA 1 +ATOM 2384 C C . PHE A 1 323 ? 26.908 36.639 7.082 1.00 32.96 ? 323 PHE A C 1 +ATOM 2385 O O . PHE A 1 323 ? 26.784 37.727 7.633 1.00 29.42 ? 323 PHE A O 1 +ATOM 2386 C CB . PHE A 1 323 ? 29.198 35.751 7.183 1.00 35.20 ? 323 PHE A CB 1 +ATOM 2387 C CG . PHE A 1 323 ? 29.982 34.641 6.567 1.00 37.32 ? 323 PHE A CG 1 +ATOM 2388 C CD1 . PHE A 1 323 ? 30.918 34.877 5.555 1.00 44.22 ? 323 PHE A CD1 1 +ATOM 2389 C CD2 . PHE A 1 323 ? 29.802 33.334 7.009 1.00 42.14 ? 323 PHE A CD2 1 +ATOM 2390 C CE1 . PHE A 1 323 ? 31.651 33.840 4.975 1.00 41.05 ? 323 PHE A CE1 1 +ATOM 2391 C CE2 . PHE A 1 323 ? 30.531 32.286 6.444 1.00 44.36 ? 323 PHE A CE2 1 +ATOM 2392 C CZ . PHE A 1 323 ? 31.461 32.539 5.435 1.00 31.66 ? 323 PHE A CZ 1 +ATOM 2393 N N . SER A 1 324 ? 25.991 35.701 7.177 1.00 33.19 ? 324 SER A N 1 +ATOM 2394 C CA . SER A 1 324 ? 24.851 35.936 7.997 1.00 28.64 ? 324 SER A CA 1 +ATOM 2395 C C . SER A 1 324 ? 25.354 35.881 9.416 1.00 37.25 ? 324 SER A C 1 +ATOM 2396 O O . SER A 1 324 ? 26.375 35.220 9.662 1.00 26.71 ? 324 SER A O 1 +ATOM 2397 C CB . SER A 1 324 ? 23.827 34.831 7.819 1.00 24.87 ? 324 SER A CB 1 +ATOM 2398 O OG . SER A 1 324 ? 24.448 33.600 7.330 1.00 66.16 ? 324 SER A OG 1 +ATOM 2399 N N . ILE A 1 325 ? 24.694 36.578 10.331 1.00 31.81 ? 325 ILE A N 1 +ATOM 2400 C CA . ILE A 1 325 ? 25.163 36.519 11.701 1.00 33.31 ? 325 ILE A CA 1 +ATOM 2401 C C . ILE A 1 325 ? 25.157 35.048 12.121 1.00 33.74 ? 325 ILE A C 1 +ATOM 2402 O O . ILE A 1 325 ? 26.055 34.514 12.773 1.00 28.69 ? 325 ILE A O 1 +ATOM 2403 C CB . ILE A 1 325 ? 24.223 37.290 12.630 1.00 32.61 ? 325 ILE A CB 1 +ATOM 2404 C CG1 . ILE A 1 325 ? 24.442 38.793 12.568 1.00 40.37 ? 325 ILE A CG1 1 +ATOM 2405 C CG2 . ILE A 1 325 ? 24.429 36.850 14.078 1.00 28.99 ? 325 ILE A CG2 1 +ATOM 2406 C CD1 . ILE A 1 325 ? 23.563 39.545 13.575 1.00 23.95 ? 325 ILE A CD1 1 +ATOM 2407 N N . SER A 1 326 ? 24.091 34.415 11.697 1.00 24.30 ? 326 SER A N 1 +ATOM 2408 C CA . SER A 1 326 ? 23.869 33.040 11.974 1.00 25.68 ? 326 SER A CA 1 +ATOM 2409 C C . SER A 1 326 ? 25.007 32.202 11.525 1.00 26.84 ? 326 SER A C 1 +ATOM 2410 O O . SER A 1 326 ? 25.466 31.342 12.244 1.00 38.27 ? 326 SER A O 1 +ATOM 2411 C CB . SER A 1 326 ? 22.579 32.563 11.326 1.00 27.23 ? 326 SER A CB 1 +ATOM 2412 O OG . SER A 1 326 ? 21.595 32.370 12.334 1.00 39.65 ? 326 SER A OG 1 +ATOM 2413 N N . ASP A 1 327 ? 25.441 32.440 10.307 1.00 18.24 ? 327 ASP A N 1 +ATOM 2414 C CA . ASP A 1 327 ? 26.513 31.631 9.773 1.00 17.44 ? 327 ASP A CA 1 +ATOM 2415 C C . ASP A 1 327 ? 27.859 31.959 10.373 1.00 26.61 ? 327 ASP A C 1 +ATOM 2416 O O . ASP A 1 327 ? 28.763 31.136 10.495 1.00 28.12 ? 327 ASP A O 1 +ATOM 2417 C CB . ASP A 1 327 ? 26.605 31.813 8.270 1.00 19.43 ? 327 ASP A CB 1 +ATOM 2418 C CG . ASP A 1 327 ? 25.666 30.959 7.475 1.00 33.80 ? 327 ASP A CG 1 +ATOM 2419 O OD1 . ASP A 1 327 ? 24.951 30.095 7.984 1.00 46.56 ? 327 ASP A OD1 1 +ATOM 2420 O OD2 . ASP A 1 327 ? 25.742 31.244 6.178 1.00 57.43 ? 327 ASP A OD2 1 +ATOM 2421 N N . ALA A 1 328 ? 27.975 33.209 10.724 1.00 18.60 ? 328 ALA A N 1 +ATOM 2422 C CA . ALA A 1 328 ? 29.195 33.673 11.322 1.00 30.31 ? 328 ALA A CA 1 +ATOM 2423 C C . ALA A 1 328 ? 29.422 33.038 12.699 1.00 24.22 ? 328 ALA A C 1 +ATOM 2424 O O . ALA A 1 328 ? 30.543 32.834 13.143 1.00 33.84 ? 328 ALA A O 1 +ATOM 2425 C CB . ALA A 1 328 ? 29.181 35.193 11.417 1.00 21.95 ? 328 ALA A CB 1 +ATOM 2426 N N . LEU A 1 329 ? 28.348 32.706 13.363 1.00 31.45 ? 329 LEU A N 1 +ATOM 2427 C CA . LEU A 1 329 ? 28.417 32.148 14.685 1.00 29.74 ? 329 LEU A CA 1 +ATOM 2428 C C . LEU A 1 329 ? 28.865 30.677 14.761 1.00 30.29 ? 329 LEU A C 1 +ATOM 2429 O O . LEU A 1 329 ? 29.686 30.241 15.578 1.00 26.24 ? 329 LEU A O 1 +ATOM 2430 C CB . LEU A 1 329 ? 27.016 32.391 15.252 1.00 27.51 ? 329 LEU A CB 1 +ATOM 2431 C CG . LEU A 1 329 ? 26.820 33.788 15.822 1.00 34.80 ? 329 LEU A CG 1 +ATOM 2432 C CD1 . LEU A 1 329 ? 25.552 33.840 16.662 1.00 37.22 ? 329 LEU A CD1 1 +ATOM 2433 C CD2 . LEU A 1 329 ? 27.990 34.160 16.718 1.00 32.31 ? 329 LEU A CD2 1 +ATOM 2434 N N . ARG A 1 330 ? 28.307 29.930 13.862 1.00 24.17 ? 330 ARG A N 1 +ATOM 2435 C CA . ARG A 1 330 ? 28.525 28.496 13.777 1.00 34.71 ? 330 ARG A CA 1 +ATOM 2436 C C . ARG A 1 330 ? 29.853 27.911 14.208 1.00 29.37 ? 330 ARG A C 1 +ATOM 2437 O O . ARG A 1 330 ? 29.908 26.936 14.970 1.00 27.64 ? 330 ARG A O 1 +ATOM 2438 C CB . ARG A 1 330 ? 28.085 27.928 12.441 1.00 41.02 ? 330 ARG A CB 1 +ATOM 2439 C CG . ARG A 1 330 ? 26.671 28.360 12.109 1.00 30.48 ? 330 ARG A CG 1 +ATOM 2440 C CD . ARG A 1 330 ? 26.072 27.551 10.946 1.00 59.04 ? 330 ARG A CD 1 +ATOM 2441 N NE . ARG A 1 330 ? 24.893 26.813 11.413 1.00 100.00 ? 330 ARG A NE 1 +ATOM 2442 C CZ . ARG A 1 330 ? 23.639 27.180 11.192 1.00 100.00 ? 330 ARG A CZ 1 +ATOM 2443 N NH1 . ARG A 1 330 ? 23.316 28.279 10.496 1.00 100.00 ? 330 ARG A NH1 1 +ATOM 2444 N NH2 . ARG A 1 330 ? 22.672 26.399 11.689 1.00 100.00 ? 330 ARG A NH2 1 +ATOM 2445 N N . PRO A 1 331 ? 30.934 28.459 13.668 1.00 19.36 ? 331 PRO A N 1 +ATOM 2446 C CA . PRO A 1 331 ? 32.247 27.915 13.938 1.00 27.81 ? 331 PRO A CA 1 +ATOM 2447 C C . PRO A 1 331 ? 32.723 27.959 15.381 1.00 30.77 ? 331 PRO A C 1 +ATOM 2448 O O . PRO A 1 331 ? 33.676 27.246 15.721 1.00 19.70 ? 331 PRO A O 1 +ATOM 2449 C CB . PRO A 1 331 ? 33.224 28.634 12.994 1.00 23.89 ? 331 PRO A CB 1 +ATOM 2450 C CG . PRO A 1 331 ? 32.362 29.441 12.047 1.00 27.44 ? 331 PRO A CG 1 +ATOM 2451 C CD . PRO A 1 331 ? 31.021 29.594 12.743 1.00 24.88 ? 331 PRO A CD 1 +ATOM 2452 N N . LEU A 1 332 ? 32.012 28.770 16.188 1.00 24.76 ? 332 LEU A N 1 +ATOM 2453 C CA . LEU A 1 332 ? 32.306 29.018 17.573 1.00 25.08 ? 332 LEU A CA 1 +ATOM 2454 C C . LEU A 1 332 ? 31.260 28.460 18.472 1.00 30.25 ? 332 LEU A C 1 +ATOM 2455 O O . LEU A 1 332 ? 31.311 28.614 19.682 1.00 25.70 ? 332 LEU A O 1 +ATOM 2456 C CB . LEU A 1 332 ? 32.255 30.543 17.778 1.00 26.61 ? 332 LEU A CB 1 +ATOM 2457 C CG . LEU A 1 332 ? 33.488 31.239 17.242 1.00 41.44 ? 332 LEU A CG 1 +ATOM 2458 C CD1 . LEU A 1 332 ? 33.722 32.568 17.950 1.00 25.07 ? 332 LEU A CD1 1 +ATOM 2459 C CD2 . LEU A 1 332 ? 34.680 30.314 17.446 1.00 61.52 ? 332 LEU A CD2 1 +ATOM 2460 N N . THR A 1 333 ? 30.286 27.864 17.829 1.00 28.68 ? 333 THR A N 1 +ATOM 2461 C CA . THR A 1 333 ? 29.139 27.344 18.541 1.00 18.32 ? 333 THR A CA 1 +ATOM 2462 C C . THR A 1 333 ? 28.754 25.939 18.090 1.00 40.49 ? 333 THR A C 1 +ATOM 2463 O O . THR A 1 333 ? 29.417 24.954 18.422 1.00 38.75 ? 333 THR A O 1 +ATOM 2464 C CB . THR A 1 333 ? 27.944 28.344 18.361 1.00 32.29 ? 333 THR A CB 1 +ATOM 2465 O OG1 . THR A 1 333 ? 27.856 28.712 16.982 1.00 37.40 ? 333 THR A OG1 1 +ATOM 2466 C CG2 . THR A 1 333 ? 28.171 29.635 19.160 1.00 9.24 ? 333 THR A CG2 1 +ATOM 2467 N N . SER A 1 334 ? 27.660 25.849 17.336 1.00 38.66 ? 334 SER A N 1 +ATOM 2468 C CA . SER A 1 334 ? 27.174 24.554 16.894 1.00 37.37 ? 334 SER A CA 1 +ATOM 2469 C C . SER A 1 334 ? 28.250 23.690 16.250 1.00 18.62 ? 334 SER A C 1 +ATOM 2470 O O . SER A 1 334 ? 28.339 22.499 16.449 1.00 22.09 ? 334 SER A O 1 +ATOM 2471 C CB . SER A 1 334 ? 25.936 24.688 16.009 1.00 29.85 ? 334 SER A CB 1 +ATOM 2472 O OG . SER A 1 334 ? 26.178 25.644 15.007 1.00 23.06 ? 334 SER A OG 1 +ATOM 2473 N N . SER A 1 335 ? 29.107 24.304 15.457 1.00 17.15 ? 335 SER A N 1 +ATOM 2474 C CA . SER A 1 335 ? 30.123 23.505 14.840 1.00 18.89 ? 335 SER A CA 1 +ATOM 2475 C C . SER A 1 335 ? 30.999 22.786 15.886 1.00 27.86 ? 335 SER A C 1 +ATOM 2476 O O . SER A 1 335 ? 31.343 21.587 15.758 1.00 25.21 ? 335 SER A O 1 +ATOM 2477 C CB . SER A 1 335 ? 30.969 24.371 13.913 1.00 17.22 ? 335 SER A CB 1 +ATOM 2478 O OG . SER A 1 335 ? 30.234 24.623 12.718 1.00 33.44 ? 335 SER A OG 1 +ATOM 2479 N N . VAL A 1 336 ? 31.396 23.523 16.904 1.00 22.42 ? 336 VAL A N 1 +ATOM 2480 C CA . VAL A 1 336 ? 32.278 22.962 17.950 1.00 21.82 ? 336 VAL A CA 1 +ATOM 2481 C C . VAL A 1 336 ? 31.579 21.934 18.805 1.00 31.56 ? 336 VAL A C 1 +ATOM 2482 O O . VAL A 1 336 ? 32.055 20.829 19.063 1.00 32.88 ? 336 VAL A O 1 +ATOM 2483 C CB . VAL A 1 336 ? 32.868 24.060 18.843 1.00 15.78 ? 336 VAL A CB 1 +ATOM 2484 C CG1 . VAL A 1 336 ? 34.132 23.579 19.552 1.00 15.49 ? 336 VAL A CG1 1 +ATOM 2485 C CG2 . VAL A 1 336 ? 33.251 25.219 17.979 1.00 11.88 ? 336 VAL A CG2 1 +ATOM 2486 N N . ALA A 1 337 ? 30.419 22.340 19.257 1.00 18.51 ? 337 ALA A N 1 +ATOM 2487 C CA . ALA A 1 337 ? 29.644 21.481 20.119 1.00 20.03 ? 337 ALA A CA 1 +ATOM 2488 C C . ALA A 1 337 ? 29.402 20.190 19.367 1.00 29.15 ? 337 ALA A C 1 +ATOM 2489 O O . ALA A 1 337 ? 29.397 19.086 19.939 1.00 31.47 ? 337 ALA A O 1 +ATOM 2490 C CB . ALA A 1 337 ? 28.366 22.238 20.460 1.00 11.91 ? 337 ALA A CB 1 +ATOM 2491 N N . GLY A 1 338 ? 29.271 20.403 18.060 1.00 24.74 ? 338 GLY A N 1 +ATOM 2492 C CA . GLY A 1 338 ? 28.999 19.371 17.078 1.00 24.22 ? 338 GLY A CA 1 +ATOM 2493 C C . GLY A 1 338 ? 30.141 18.388 16.961 1.00 37.55 ? 338 GLY A C 1 +ATOM 2494 O O . GLY A 1 338 ? 29.929 17.167 17.029 1.00 30.66 ? 338 GLY A O 1 +ATOM 2495 N N . PHE A 1 339 ? 31.352 18.931 16.810 1.00 17.96 ? 339 PHE A N 1 +ATOM 2496 C CA . PHE A 1 339 ? 32.502 18.063 16.707 1.00 17.95 ? 339 PHE A CA 1 +ATOM 2497 C C . PHE A 1 339 ? 32.854 17.361 18.016 1.00 17.34 ? 339 PHE A C 1 +ATOM 2498 O O . PHE A 1 339 ? 33.257 16.197 18.039 1.00 19.48 ? 339 PHE A O 1 +ATOM 2499 C CB . PHE A 1 339 ? 33.682 18.882 16.196 1.00 27.56 ? 339 PHE A CB 1 +ATOM 2500 C CG . PHE A 1 339 ? 34.995 18.135 16.111 1.00 36.24 ? 339 PHE A CG 1 +ATOM 2501 C CD1 . PHE A 1 339 ? 35.210 17.187 15.110 1.00 37.13 ? 339 PHE A CD1 1 +ATOM 2502 C CD2 . PHE A 1 339 ? 36.059 18.424 16.966 1.00 31.01 ? 339 PHE A CD2 1 +ATOM 2503 C CE1 . PHE A 1 339 ? 36.421 16.502 15.004 1.00 24.62 ? 339 PHE A CE1 1 +ATOM 2504 C CE2 . PHE A 1 339 ? 37.285 17.764 16.869 1.00 26.70 ? 339 PHE A CE2 1 +ATOM 2505 C CZ . PHE A 1 339 ? 37.461 16.786 15.889 1.00 15.98 ? 339 PHE A CZ 1 +ATOM 2506 N N . LEU A 1 340 ? 32.717 18.055 19.120 1.00 23.63 ? 340 LEU A N 1 +ATOM 2507 C CA . LEU A 1 340 ? 33.100 17.471 20.384 1.00 16.65 ? 340 LEU A CA 1 +ATOM 2508 C C . LEU A 1 340 ? 31.953 16.812 21.077 1.00 29.04 ? 340 LEU A C 1 +ATOM 2509 O O . LEU A 1 340 ? 32.067 16.328 22.205 1.00 31.27 ? 340 LEU A O 1 +ATOM 2510 C CB . LEU A 1 340 ? 33.643 18.606 21.246 1.00 23.89 ? 340 LEU A CB 1 +ATOM 2511 C CG . LEU A 1 340 ? 34.899 19.226 20.645 1.00 20.37 ? 340 LEU A CG 1 +ATOM 2512 C CD1 . LEU A 1 340 ? 35.315 20.459 21.439 1.00 17.56 ? 340 LEU A CD1 1 +ATOM 2513 C CD2 . LEU A 1 340 ? 36.029 18.201 20.618 1.00 19.61 ? 340 LEU A CD2 1 +ATOM 2514 N N . ASN A 1 341 ? 30.817 16.821 20.419 1.00 14.35 ? 341 ASN A N 1 +ATOM 2515 C CA . ASN A 1 341 ? 29.671 16.225 21.072 1.00 21.38 ? 341 ASN A CA 1 +ATOM 2516 C C . ASN A 1 341 ? 29.352 16.878 22.424 1.00 27.21 ? 341 ASN A C 1 +ATOM 2517 O O . ASN A 1 341 ? 28.961 16.199 23.386 1.00 22.90 ? 341 ASN A O 1 +ATOM 2518 C CB A ASN A 1 341 ? 29.746 14.689 21.157 0.50 29.10 ? 341 ASN A CB 1 +ATOM 2519 C CB B ASN A 1 341 ? 29.938 14.702 21.302 0.50 16.55 ? 341 ASN A CB 1 +ATOM 2520 C CG A ASN A 1 341 ? 28.426 14.070 21.563 0.50 41.98 ? 341 ASN A CG 1 +ATOM 2521 C CG B ASN A 1 341 ? 30.302 13.949 20.036 0.50 59.89 ? 341 ASN A CG 1 +ATOM 2522 O OD1 A ASN A 1 341 ? 27.336 14.549 21.215 0.50 32.45 ? 341 ASN A OD1 1 +ATOM 2523 O OD1 B ASN A 1 341 ? 29.909 14.353 18.936 0.50 42.67 ? 341 ASN A OD1 1 +ATOM 2524 N ND2 A ASN A 1 341 ? 28.535 12.992 22.319 0.50 44.54 ? 341 ASN A ND2 1 +ATOM 2525 N ND2 B ASN A 1 341 ? 31.030 12.845 20.172 0.50 49.98 ? 341 ASN A ND2 1 +ATOM 2526 N N . LEU A 1 342 ? 29.527 18.196 22.530 1.00 22.44 ? 342 LEU A N 1 +ATOM 2527 C CA . LEU A 1 342 ? 29.236 18.844 23.802 1.00 19.13 ? 342 LEU A CA 1 +ATOM 2528 C C . LEU A 1 342 ? 27.755 18.987 23.982 1.00 25.58 ? 342 LEU A C 1 +ATOM 2529 O O . LEU A 1 342 ? 27.132 19.989 23.653 1.00 37.25 ? 342 LEU A O 1 +ATOM 2530 C CB . LEU A 1 342 ? 29.918 20.202 23.983 1.00 21.16 ? 342 LEU A CB 1 +ATOM 2531 C CG . LEU A 1 342 ? 31.435 20.130 23.751 1.00 33.19 ? 342 LEU A CG 1 +ATOM 2532 C CD1 . LEU A 1 342 ? 32.091 21.514 23.851 1.00 21.64 ? 342 LEU A CD1 1 +ATOM 2533 C CD2 . LEU A 1 342 ? 32.085 19.171 24.755 1.00 40.47 ? 342 LEU A CD2 1 +ATOM 2534 N N . THR A 1 343 ? 27.178 17.941 24.485 1.00 38.72 ? 343 THR A N 1 +ATOM 2535 C CA . THR A 1 343 ? 25.762 17.947 24.725 1.00 32.03 ? 343 THR A CA 1 +ATOM 2536 C C . THR A 1 343 ? 25.365 19.094 25.644 1.00 41.81 ? 343 THR A C 1 +ATOM 2537 O O . THR A 1 343 ? 25.997 19.351 26.692 1.00 38.77 ? 343 THR A O 1 +ATOM 2538 C CB . THR A 1 343 ? 25.408 16.604 25.370 1.00 61.44 ? 343 THR A CB 1 +ATOM 2539 O OG1 . THR A 1 343 ? 25.335 15.634 24.343 1.00 61.88 ? 343 THR A OG1 1 +ATOM 2540 C CG2 . THR A 1 343 ? 24.144 16.698 26.224 1.00 74.22 ? 343 THR A CG2 1 +ATOM 2541 N N . GLY A 1 344 ? 24.287 19.773 25.238 1.00 30.17 ? 344 GLY A N 1 +ATOM 2542 C CA . GLY A 1 344 ? 23.728 20.892 25.989 1.00 21.00 ? 344 GLY A CA 1 +ATOM 2543 C C . GLY A 1 344 ? 24.394 22.236 25.707 1.00 16.80 ? 344 GLY A C 1 +ATOM 2544 O O . GLY A 1 344 ? 23.998 23.288 26.248 1.00 27.71 ? 344 GLY A O 1 +ATOM 2545 N N . LYS A 1 345 ? 25.380 22.199 24.822 1.00 13.26 ? 345 LYS A N 1 +ATOM 2546 C CA . LYS A 1 345 ? 26.129 23.365 24.434 1.00 19.68 ? 345 LYS A CA 1 +ATOM 2547 C C . LYS A 1 345 ? 25.950 23.700 22.949 1.00 14.71 ? 345 LYS A C 1 +ATOM 2548 O O . LYS A 1 345 ? 25.525 22.873 22.160 1.00 28.74 ? 345 LYS A O 1 +ATOM 2549 C CB . LYS A 1 345 ? 27.629 23.196 24.751 1.00 13.56 ? 345 LYS A CB 1 +ATOM 2550 C CG . LYS A 1 345 ? 28.012 22.876 26.184 1.00 12.60 ? 345 LYS A CG 1 +ATOM 2551 C CD . LYS A 1 345 ? 27.542 23.895 27.218 1.00 27.75 ? 345 LYS A CD 1 +ATOM 2552 C CE . LYS A 1 345 ? 28.174 23.635 28.594 1.00 16.59 ? 345 LYS A CE 1 +ATOM 2553 N NZ . LYS A 1 345 ? 27.590 24.379 29.735 1.00 17.49 ? 345 LYS A NZ 1 +ATOM 2554 N N . GLY A 1 346 ? 26.321 24.922 22.575 1.00 29.85 ? 346 GLY A N 1 +ATOM 2555 C CA . GLY A 1 346 ? 26.302 25.409 21.198 1.00 21.73 ? 346 GLY A CA 1 +ATOM 2556 C C . GLY A 1 346 ? 24.960 25.850 20.628 1.00 30.72 ? 346 GLY A C 1 +ATOM 2557 O O . GLY A 1 346 ? 24.932 26.445 19.578 1.00 30.04 ? 346 GLY A O 1 +ATOM 2558 N N . GLU A 1 347 ? 23.843 25.543 21.269 1.00 20.68 ? 347 GLU A N 1 +ATOM 2559 C CA . GLU A 1 347 ? 22.589 25.971 20.711 1.00 19.68 ? 347 GLU A CA 1 +ATOM 2560 C C . GLU A 1 347 ? 21.636 26.295 21.789 1.00 25.74 ? 347 GLU A C 1 +ATOM 2561 O O . GLU A 1 347 ? 21.683 25.708 22.862 1.00 29.00 ? 347 GLU A O 1 +ATOM 2562 C CB . GLU A 1 347 ? 21.855 24.916 19.876 1.00 21.27 ? 347 GLU A CB 1 +ATOM 2563 C CG . GLU A 1 347 ? 22.622 24.444 18.633 1.00 42.19 ? 347 GLU A CG 1 +ATOM 2564 C CD . GLU A 1 347 ? 22.122 23.115 18.146 1.00 76.39 ? 347 GLU A CD 1 +ATOM 2565 O OE1 . GLU A 1 347 ? 22.113 22.110 18.846 1.00 100.00 ? 347 GLU A OE1 1 +ATOM 2566 O OE2 . GLU A 1 347 ? 21.687 23.164 16.904 1.00 100.00 ? 347 GLU A OE2 1 +ATOM 2567 N N . ILE A 1 348 ? 20.745 27.198 21.414 1.00 33.32 ? 348 ILE A N 1 +ATOM 2568 C CA . ILE A 1 348 ? 19.690 27.660 22.271 1.00 33.17 ? 348 ILE A CA 1 +ATOM 2569 C C . ILE A 1 348 ? 18.403 26.915 21.986 1.00 30.44 ? 348 ILE A C 1 +ATOM 2570 O O . ILE A 1 348 ? 17.647 27.248 21.092 1.00 33.77 ? 348 ILE A O 1 +ATOM 2571 C CB . ILE A 1 348 ? 19.548 29.163 22.138 1.00 41.05 ? 348 ILE A CB 1 +ATOM 2572 C CG1 . ILE A 1 348 ? 20.862 29.809 22.578 1.00 34.77 ? 348 ILE A CG1 1 +ATOM 2573 C CG2 . ILE A 1 348 ? 18.339 29.671 22.939 1.00 21.73 ? 348 ILE A CG2 1 +ATOM 2574 C CD1 . ILE A 1 348 ? 21.249 31.031 21.755 1.00 52.83 ? 348 ILE A CD1 1 +ATOM 2575 N N . LEU A 1 349 ? 18.213 25.897 22.780 1.00 25.96 ? 349 LEU A N 1 +ATOM 2576 C CA . LEU A 1 349 ? 17.089 24.995 22.753 1.00 26.57 ? 349 LEU A CA 1 +ATOM 2577 C C . LEU A 1 349 ? 16.704 24.667 24.165 1.00 24.84 ? 349 LEU A C 1 +ATOM 2578 O O . LEU A 1 349 ? 17.508 24.740 25.111 1.00 32.18 ? 349 LEU A O 1 +ATOM 2579 C CB . LEU A 1 349 ? 17.452 23.642 22.102 1.00 28.68 ? 349 LEU A CB 1 +ATOM 2580 C CG . LEU A 1 349 ? 17.731 23.694 20.603 1.00 55.60 ? 349 LEU A CG 1 +ATOM 2581 C CD1 . LEU A 1 349 ? 18.573 22.502 20.188 1.00 68.81 ? 349 LEU A CD1 1 +ATOM 2582 C CD2 . LEU A 1 349 ? 16.442 23.651 19.795 1.00 61.71 ? 349 LEU A CD2 1 +ATOM 2583 N N . PRO A 1 350 ? 15.457 24.284 24.301 1.00 30.23 ? 350 PRO A N 1 +ATOM 2584 C CA . PRO A 1 350 ? 14.995 23.928 25.617 1.00 26.84 ? 350 PRO A CA 1 +ATOM 2585 C C . PRO A 1 350 ? 15.793 22.701 25.981 1.00 31.07 ? 350 PRO A C 1 +ATOM 2586 O O . PRO A 1 350 ? 16.063 21.851 25.136 1.00 35.08 ? 350 PRO A O 1 +ATOM 2587 C CB . PRO A 1 350 ? 13.503 23.626 25.498 1.00 28.43 ? 350 PRO A CB 1 +ATOM 2588 C CG . PRO A 1 350 ? 13.050 24.260 24.179 1.00 33.38 ? 350 PRO A CG 1 +ATOM 2589 C CD . PRO A 1 350 ? 14.327 24.608 23.390 1.00 25.73 ? 350 PRO A CD 1 +ATOM 2590 N N . GLY A 1 351 ? 16.225 22.622 27.219 1.00 32.55 ? 351 GLY A N 1 +ATOM 2591 C CA . GLY A 1 351 ? 16.993 21.473 27.597 1.00 29.05 ? 351 GLY A CA 1 +ATOM 2592 C C . GLY A 1 351 ? 18.463 21.784 27.558 1.00 40.92 ? 351 GLY A C 1 +ATOM 2593 O O . GLY A 1 351 ? 19.213 21.138 28.278 1.00 26.93 ? 351 GLY A O 1 +ATOM 2594 N N . ASN A 1 352 ? 18.842 22.806 26.757 1.00 23.97 ? 352 ASN A N 1 +ATOM 2595 C CA . ASN A 1 352 ? 20.241 23.170 26.677 1.00 22.97 ? 352 ASN A CA 1 +ATOM 2596 C C . ASN A 1 352 ? 20.652 23.986 27.879 1.00 34.70 ? 352 ASN A C 1 +ATOM 2597 O O . ASN A 1 352 ? 19.767 24.449 28.610 1.00 23.12 ? 352 ASN A O 1 +ATOM 2598 C CB . ASN A 1 352 ? 20.614 23.829 25.341 1.00 15.22 ? 352 ASN A CB 1 +ATOM 2599 C CG . ASN A 1 352 ? 20.868 22.740 24.320 1.00 30.37 ? 352 ASN A CG 1 +ATOM 2600 O OD1 . ASN A 1 352 ? 20.531 21.566 24.599 1.00 32.11 ? 352 ASN A OD1 1 +ATOM 2601 N ND2 . ASN A 1 352 ? 21.478 23.107 23.170 1.00 21.67 ? 352 ASN A ND2 1 +ATOM 2602 N N . ASP A 1 353 ? 21.975 24.130 28.064 1.00 26.36 ? 353 ASP A N 1 +ATOM 2603 C CA . ASP A 1 353 ? 22.469 24.893 29.176 1.00 25.72 ? 353 ASP A CA 1 +ATOM 2604 C C . ASP A 1 353 ? 22.333 26.366 28.842 1.00 27.15 ? 353 ASP A C 1 +ATOM 2605 O O . ASP A 1 353 ? 22.441 26.734 27.677 1.00 24.42 ? 353 ASP A O 1 +ATOM 2606 C CB . ASP A 1 353 ? 23.949 24.608 29.410 1.00 23.22 ? 353 ASP A CB 1 +ATOM 2607 C CG . ASP A 1 353 ? 24.250 23.361 30.201 1.00 38.77 ? 353 ASP A CG 1 +ATOM 2608 O OD1 . ASP A 1 353 ? 23.426 22.652 30.777 1.00 35.56 ? 353 ASP A OD1 1 +ATOM 2609 O OD2 . ASP A 1 353 ? 25.519 23.108 30.155 1.00 46.02 ? 353 ASP A OD2 1 +ATOM 2610 N N . ALA A 1 354 ? 22.104 27.180 29.858 1.00 18.43 ? 354 ALA A N 1 +ATOM 2611 C CA . ALA A 1 354 ? 21.933 28.601 29.619 1.00 13.89 ? 354 ALA A CA 1 +ATOM 2612 C C . ALA A 1 354 ? 23.228 29.373 29.643 1.00 9.04 ? 354 ALA A C 1 +ATOM 2613 O O . ALA A 1 354 ? 23.546 30.122 30.581 1.00 24.25 ? 354 ALA A O 1 +ATOM 2614 C CB . ALA A 1 354 ? 20.924 29.232 30.557 1.00 20.10 ? 354 ALA A CB 1 +ATOM 2615 N N . ASP A 1 355 ? 23.916 29.166 28.539 1.00 16.57 ? 355 ASP A N 1 +ATOM 2616 C CA . ASP A 1 355 ? 25.167 29.801 28.247 1.00 20.09 ? 355 ASP A CA 1 +ATOM 2617 C C . ASP A 1 355 ? 24.803 30.809 27.167 1.00 30.92 ? 355 ASP A C 1 +ATOM 2618 O O . ASP A 1 355 ? 24.665 30.473 25.994 1.00 18.01 ? 355 ASP A O 1 +ATOM 2619 C CB . ASP A 1 355 ? 26.171 28.737 27.733 1.00 19.93 ? 355 ASP A CB 1 +ATOM 2620 C CG . ASP A 1 355 ? 26.722 27.871 28.843 1.00 25.98 ? 355 ASP A CG 1 +ATOM 2621 O OD1 . ASP A 1 355 ? 26.415 28.007 30.001 1.00 22.16 ? 355 ASP A OD1 1 +ATOM 2622 O OD2 . ASP A 1 355 ? 27.590 26.982 28.440 1.00 28.24 ? 355 ASP A OD2 1 +ATOM 2623 N N . LEU A 1 356 ? 24.598 32.064 27.536 1.00 37.97 ? 356 LEU A N 1 +ATOM 2624 C CA . LEU A 1 356 ? 24.179 33.032 26.541 1.00 31.20 ? 356 LEU A CA 1 +ATOM 2625 C C . LEU A 1 356 ? 24.925 34.321 26.501 1.00 26.97 ? 356 LEU A C 1 +ATOM 2626 O O . LEU A 1 356 ? 25.306 34.849 27.542 1.00 25.75 ? 356 LEU A O 1 +ATOM 2627 C CB . LEU A 1 356 ? 22.737 33.444 26.880 1.00 27.87 ? 356 LEU A CB 1 +ATOM 2628 C CG . LEU A 1 356 ? 21.845 32.218 27.022 1.00 26.25 ? 356 LEU A CG 1 +ATOM 2629 C CD1 . LEU A 1 356 ? 20.848 32.424 28.123 1.00 22.79 ? 356 LEU A CD1 1 +ATOM 2630 C CD2 . LEU A 1 356 ? 21.130 31.932 25.713 1.00 24.85 ? 356 LEU A CD2 1 +ATOM 2631 N N . LEU A 1 357 ? 25.026 34.818 25.267 1.00 22.70 ? 357 LEU A N 1 +ATOM 2632 C CA . LEU A 1 357 ? 25.639 36.124 25.009 1.00 29.41 ? 357 LEU A CA 1 +ATOM 2633 C C . LEU A 1 357 ? 24.566 37.164 24.655 1.00 36.64 ? 357 LEU A C 1 +ATOM 2634 O O . LEU A 1 357 ? 23.612 36.902 23.904 1.00 24.29 ? 357 LEU A O 1 +ATOM 2635 C CB . LEU A 1 357 ? 26.638 36.103 23.836 1.00 23.68 ? 357 LEU A CB 1 +ATOM 2636 C CG . LEU A 1 357 ? 27.775 35.145 24.052 1.00 25.89 ? 357 LEU A CG 1 +ATOM 2637 C CD1 . LEU A 1 357 ? 28.780 35.360 22.943 1.00 13.43 ? 357 LEU A CD1 1 +ATOM 2638 C CD2 . LEU A 1 357 ? 28.384 35.484 25.395 1.00 24.43 ? 357 LEU A CD2 1 +ATOM 2639 N N . VAL A 1 358 ? 24.716 38.360 25.199 1.00 34.23 ? 358 VAL A N 1 +ATOM 2640 C CA . VAL A 1 358 ? 23.765 39.412 24.885 1.00 29.67 ? 358 VAL A CA 1 +ATOM 2641 C C . VAL A 1 358 ? 24.551 40.492 24.224 1.00 27.26 ? 358 VAL A C 1 +ATOM 2642 O O . VAL A 1 358 ? 25.449 41.077 24.843 1.00 32.19 ? 358 VAL A O 1 +ATOM 2643 C CB . VAL A 1 358 ? 23.078 40.033 26.074 1.00 34.15 ? 358 VAL A CB 1 +ATOM 2644 C CG1 . VAL A 1 358 ? 22.171 41.138 25.543 1.00 37.46 ? 358 VAL A CG1 1 +ATOM 2645 C CG2 . VAL A 1 358 ? 22.287 38.997 26.864 1.00 24.32 ? 358 VAL A CG2 1 +ATOM 2646 N N . MET A 1 359 ? 24.258 40.745 22.981 1.00 23.74 ? 359 MET A N 1 +ATOM 2647 C CA . MET A 1 359 ? 25.062 41.775 22.370 1.00 26.65 ? 359 MET A CA 1 +ATOM 2648 C C . MET A 1 359 ? 24.264 42.900 21.803 1.00 28.76 ? 359 MET A C 1 +ATOM 2649 O O . MET A 1 359 ? 23.039 42.789 21.630 1.00 40.25 ? 359 MET A O 1 +ATOM 2650 C CB . MET A 1 359 ? 25.836 41.187 21.204 1.00 24.63 ? 359 MET A CB 1 +ATOM 2651 C CG . MET A 1 359 ? 26.623 39.942 21.554 1.00 30.86 ? 359 MET A CG 1 +ATOM 2652 S SD . MET A 1 359 ? 27.735 39.574 20.173 1.00 45.36 ? 359 MET A SD 1 +ATOM 2653 C CE . MET A 1 359 ? 26.570 38.732 19.074 1.00 48.66 ? 359 MET A CE 1 +ATOM 2654 N N . THR A 1 360 ? 25.005 43.946 21.461 1.00 29.10 ? 360 THR A N 1 +ATOM 2655 C CA . THR A 1 360 ? 24.415 45.100 20.791 1.00 31.66 ? 360 THR A CA 1 +ATOM 2656 C C . THR A 1 360 ? 24.246 44.660 19.349 1.00 40.24 ? 360 THR A C 1 +ATOM 2657 O O . THR A 1 360 ? 24.870 43.686 18.929 1.00 32.25 ? 360 THR A O 1 +ATOM 2658 C CB . THR A 1 360 ? 25.286 46.395 20.827 1.00 23.50 ? 360 THR A CB 1 +ATOM 2659 O OG1 . THR A 1 360 ? 26.551 46.243 20.213 1.00 34.90 ? 360 THR A OG1 1 +ATOM 2660 C CG2 . THR A 1 360 ? 25.450 46.914 22.237 1.00 47.54 ? 360 THR A CG2 1 +ATOM 2661 N N . PRO A 1 361 ? 23.424 45.375 18.595 1.00 50.81 ? 361 PRO A N 1 +ATOM 2662 C CA . PRO A 1 361 ? 23.166 45.039 17.193 1.00 41.50 ? 361 PRO A CA 1 +ATOM 2663 C C . PRO A 1 361 ? 24.393 45.159 16.338 1.00 34.50 ? 361 PRO A C 1 +ATOM 2664 O O . PRO A 1 361 ? 24.445 44.603 15.244 1.00 30.75 ? 361 PRO A O 1 +ATOM 2665 C CB . PRO A 1 361 ? 22.055 45.960 16.699 1.00 48.15 ? 361 PRO A CB 1 +ATOM 2666 C CG . PRO A 1 361 ? 21.663 46.836 17.899 1.00 64.44 ? 361 PRO A CG 1 +ATOM 2667 C CD . PRO A 1 361 ? 22.488 46.411 19.111 1.00 51.24 ? 361 PRO A CD 1 +ATOM 2668 N N . GLU A 1 362 ? 25.388 45.864 16.888 1.00 45.26 ? 362 GLU A N 1 +ATOM 2669 C CA . GLU A 1 362 ? 26.681 46.082 16.258 1.00 44.99 ? 362 GLU A CA 1 +ATOM 2670 C C . GLU A 1 362 ? 27.718 45.046 16.720 1.00 43.56 ? 362 GLU A C 1 +ATOM 2671 O O . GLU A 1 362 ? 28.910 45.206 16.532 1.00 58.19 ? 362 GLU A O 1 +ATOM 2672 C CB . GLU A 1 362 ? 27.214 47.516 16.484 1.00 42.53 ? 362 GLU A CB 1 +ATOM 2673 C CG . GLU A 1 362 ? 26.131 48.583 16.235 1.00 100.00 ? 362 GLU A CG 1 +ATOM 2674 C CD . GLU A 1 362 ? 25.837 49.455 17.443 1.00 100.00 ? 362 GLU A CD 1 +ATOM 2675 O OE1 . GLU A 1 362 ? 24.935 49.184 18.254 1.00 100.00 ? 362 GLU A OE1 1 +ATOM 2676 O OE2 . GLU A 1 362 ? 26.643 50.528 17.499 1.00 100.00 ? 362 GLU A OE2 1 +ATOM 2677 N N . LEU A 1 363 ? 27.232 43.988 17.345 1.00 40.36 ? 363 LEU A N 1 +ATOM 2678 C CA . LEU A 1 363 ? 28.039 42.885 17.837 1.00 40.25 ? 363 LEU A CA 1 +ATOM 2679 C C . LEU A 1 363 ? 29.003 43.201 18.961 1.00 41.51 ? 363 LEU A C 1 +ATOM 2680 O O . LEU A 1 363 ? 30.187 42.880 18.953 1.00 34.77 ? 363 LEU A O 1 +ATOM 2681 C CB . LEU A 1 363 ? 28.670 42.017 16.750 1.00 42.02 ? 363 LEU A CB 1 +ATOM 2682 C CG . LEU A 1 363 ? 27.729 41.757 15.574 1.00 51.06 ? 363 LEU A CG 1 +ATOM 2683 C CD1 . LEU A 1 363 ? 28.361 40.695 14.680 1.00 55.23 ? 363 LEU A CD1 1 +ATOM 2684 C CD2 . LEU A 1 363 ? 26.367 41.298 16.094 1.00 46.92 ? 363 LEU A CD2 1 +ATOM 2685 N N . ARG A 1 364 ? 28.477 43.827 19.966 1.00 33.90 ? 364 ARG A N 1 +ATOM 2686 C CA . ARG A 1 364 ? 29.275 44.142 21.102 1.00 23.06 ? 364 ARG A CA 1 +ATOM 2687 C C . ARG A 1 364 ? 28.656 43.394 22.265 1.00 40.65 ? 364 ARG A C 1 +ATOM 2688 O O . ARG A 1 364 ? 27.420 43.343 22.411 1.00 30.90 ? 364 ARG A O 1 +ATOM 2689 C CB . ARG A 1 364 ? 29.303 45.630 21.343 1.00 29.41 ? 364 ARG A CB 1 +ATOM 2690 C CG . ARG A 1 364 ? 30.292 46.055 22.420 1.00 28.81 ? 364 ARG A CG 1 +ATOM 2691 C CD . ARG A 1 364 ? 29.826 47.364 23.082 1.00 100.00 ? 364 ARG A CD 1 +ATOM 2692 N NE . ARG A 1 364 ? 30.507 47.726 24.326 1.00 100.00 ? 364 ARG A NE 1 +ATOM 2693 C CZ . ARG A 1 364 ? 30.789 48.983 24.643 1.00 100.00 ? 364 ARG A CZ 1 +ATOM 2694 N NH1 . ARG A 1 364 ? 30.458 50.005 23.832 1.00 100.00 ? 364 ARG A NH1 1 +ATOM 2695 N NH2 . ARG A 1 364 ? 31.421 49.227 25.813 1.00 100.00 ? 364 ARG A NH2 1 +ATOM 2696 N N . ILE A 1 365 ? 29.531 42.773 23.056 1.00 35.52 ? 365 ILE A N 1 +ATOM 2697 C CA . ILE A 1 365 ? 29.074 42.000 24.184 1.00 33.37 ? 365 ILE A CA 1 +ATOM 2698 C C . ILE A 1 365 ? 28.756 42.923 25.329 1.00 33.07 ? 365 ILE A C 1 +ATOM 2699 O O . ILE A 1 365 ? 29.560 43.795 25.659 1.00 34.94 ? 365 ILE A O 1 +ATOM 2700 C CB . ILE A 1 365 ? 30.112 40.961 24.611 1.00 32.78 ? 365 ILE A CB 1 +ATOM 2701 C CG1 . ILE A 1 365 ? 30.274 39.916 23.530 1.00 27.10 ? 365 ILE A CG1 1 +ATOM 2702 C CG2 . ILE A 1 365 ? 29.660 40.258 25.888 1.00 30.45 ? 365 ILE A CG2 1 +ATOM 2703 C CD1 . ILE A 1 365 ? 31.340 38.905 23.918 1.00 41.68 ? 365 ILE A CD1 1 +ATOM 2704 N N . GLU A 1 366 ? 27.571 42.725 25.897 1.00 25.39 ? 366 GLU A N 1 +ATOM 2705 C CA . GLU A 1 366 ? 27.097 43.523 26.998 1.00 32.80 ? 366 GLU A CA 1 +ATOM 2706 C C . GLU A 1 366 ? 27.000 42.657 28.241 1.00 37.10 ? 366 GLU A C 1 +ATOM 2707 O O . GLU A 1 366 ? 27.546 43.012 29.279 1.00 39.61 ? 366 GLU A O 1 +ATOM 2708 C CB . GLU A 1 366 ? 25.766 44.296 26.737 1.00 39.06 ? 366 GLU A CB 1 +ATOM 2709 C CG . GLU A 1 366 ? 25.576 44.863 25.307 1.00 75.02 ? 366 GLU A CG 1 +ATOM 2710 C CD . GLU A 1 366 ? 24.192 45.466 25.026 1.00 100.00 ? 366 GLU A CD 1 +ATOM 2711 O OE1 . GLU A 1 366 ? 23.569 45.239 23.969 1.00 62.62 ? 366 GLU A OE1 1 +ATOM 2712 O OE2 . GLU A 1 366 ? 23.746 46.220 25.992 1.00 100.00 ? 366 GLU A OE2 1 +ATOM 2713 N N . GLN A 1 367 ? 26.271 41.541 28.104 1.00 26.89 ? 367 GLN A N 1 +ATOM 2714 C CA . GLN A 1 367 ? 26.046 40.559 29.168 1.00 21.44 ? 367 GLN A CA 1 +ATOM 2715 C C . GLN A 1 367 ? 26.431 39.157 28.732 1.00 33.56 ? 367 GLN A C 1 +ATOM 2716 O O . GLN A 1 367 ? 26.449 38.807 27.540 1.00 26.15 ? 367 GLN A O 1 +ATOM 2717 C CB . GLN A 1 367 ? 24.586 40.496 29.579 1.00 19.56 ? 367 GLN A CB 1 +ATOM 2718 C CG . GLN A 1 367 ? 24.019 41.879 29.946 1.00 35.01 ? 367 GLN A CG 1 +ATOM 2719 C CD . GLN A 1 367 ? 22.684 41.724 30.618 1.00 79.01 ? 367 GLN A CD 1 +ATOM 2720 O OE1 . GLN A 1 367 ? 22.189 42.654 31.269 1.00 74.59 ? 367 GLN A OE1 1 +ATOM 2721 N NE2 . GLN A 1 367 ? 22.134 40.515 30.439 1.00 30.28 ? 367 GLN A NE2 1 +ATOM 2722 N N . VAL A 1 368 ? 26.744 38.366 29.748 1.00 34.58 ? 368 VAL A N 1 +ATOM 2723 C CA . VAL A 1 368 ? 27.136 36.983 29.570 1.00 30.02 ? 368 VAL A CA 1 +ATOM 2724 C C . VAL A 1 368 ? 26.620 36.138 30.720 1.00 27.25 ? 368 VAL A C 1 +ATOM 2725 O O . VAL A 1 368 ? 26.827 36.497 31.886 1.00 32.64 ? 368 VAL A O 1 +ATOM 2726 C CB . VAL A 1 368 ? 28.629 36.827 29.419 1.00 29.61 ? 368 VAL A CB 1 +ATOM 2727 C CG1 . VAL A 1 368 ? 28.990 35.343 29.523 1.00 21.56 ? 368 VAL A CG1 1 +ATOM 2728 C CG2 . VAL A 1 368 ? 29.058 37.443 28.082 1.00 25.02 ? 368 VAL A CG2 1 +ATOM 2729 N N . TYR A 1 369 ? 25.899 35.080 30.361 1.00 24.50 ? 369 TYR A N 1 +ATOM 2730 C CA . TYR A 1 369 ? 25.310 34.120 31.275 1.00 26.03 ? 369 TYR A CA 1 +ATOM 2731 C C . TYR A 1 369 ? 26.034 32.802 31.136 1.00 26.81 ? 369 TYR A C 1 +ATOM 2732 O O . TYR A 1 369 ? 26.208 32.335 30.034 1.00 22.35 ? 369 TYR A O 1 +ATOM 2733 C CB . TYR A 1 369 ? 23.846 33.865 30.921 1.00 27.95 ? 369 TYR A CB 1 +ATOM 2734 C CG . TYR A 1 369 ? 23.061 35.097 31.227 1.00 31.55 ? 369 TYR A CG 1 +ATOM 2735 C CD1 . TYR A 1 369 ? 22.986 36.122 30.287 1.00 31.98 ? 369 TYR A CD1 1 +ATOM 2736 C CD2 . TYR A 1 369 ? 22.416 35.238 32.460 1.00 30.57 ? 369 TYR A CD2 1 +ATOM 2737 C CE1 . TYR A 1 369 ? 22.273 37.282 30.577 1.00 30.30 ? 369 TYR A CE1 1 +ATOM 2738 C CE2 . TYR A 1 369 ? 21.693 36.389 32.765 1.00 36.28 ? 369 TYR A CE2 1 +ATOM 2739 C CZ . TYR A 1 369 ? 21.636 37.411 31.811 1.00 40.41 ? 369 TYR A CZ 1 +ATOM 2740 O OH . TYR A 1 369 ? 20.948 38.555 32.071 1.00 47.27 ? 369 TYR A OH 1 +ATOM 2741 N N . ALA A 1 370 ? 26.449 32.195 32.237 1.00 25.10 ? 370 ALA A N 1 +ATOM 2742 C CA . ALA A 1 370 ? 27.107 30.928 32.102 1.00 19.39 ? 370 ALA A CA 1 +ATOM 2743 C C . ALA A 1 370 ? 26.266 30.031 32.927 1.00 20.90 ? 370 ALA A C 1 +ATOM 2744 O O . ALA A 1 370 ? 26.035 30.337 34.081 1.00 18.45 ? 370 ALA A O 1 +ATOM 2745 C CB . ALA A 1 370 ? 28.490 31.036 32.688 1.00 26.37 ? 370 ALA A CB 1 +ATOM 2746 N N . ARG A 1 371 ? 25.729 28.989 32.324 1.00 14.21 ? 371 ARG A N 1 +ATOM 2747 C CA . ARG A 1 371 ? 24.847 28.146 33.092 1.00 17.87 ? 371 ARG A CA 1 +ATOM 2748 C C . ARG A 1 371 ? 23.828 28.984 33.821 1.00 24.78 ? 371 ARG A C 1 +ATOM 2749 O O . ARG A 1 371 ? 23.505 28.736 34.980 1.00 29.76 ? 371 ARG A O 1 +ATOM 2750 C CB . ARG A 1 371 ? 25.570 27.244 34.065 1.00 36.42 ? 371 ARG A CB 1 +ATOM 2751 C CG . ARG A 1 371 ? 26.603 26.361 33.381 1.00 31.82 ? 371 ARG A CG 1 +ATOM 2752 C CD . ARG A 1 371 ? 27.019 25.174 34.238 1.00 48.75 ? 371 ARG A CD 1 +ATOM 2753 N NE . ARG A 1 371 ? 28.462 25.198 34.423 1.00 59.12 ? 371 ARG A NE 1 +ATOM 2754 C CZ . ARG A 1 371 ? 29.084 25.363 35.584 1.00 67.61 ? 371 ARG A CZ 1 +ATOM 2755 N NH1 . ARG A 1 371 ? 28.419 25.475 36.726 1.00 71.19 ? 371 ARG A NH1 1 +ATOM 2756 N NH2 . ARG A 1 371 ? 30.413 25.375 35.586 1.00 95.45 ? 371 ARG A NH2 1 +ATOM 2757 N N . GLY A 1 372 ? 23.330 30.000 33.114 1.00 26.54 ? 372 GLY A N 1 +ATOM 2758 C CA . GLY A 1 372 ? 22.287 30.845 33.672 1.00 21.57 ? 372 GLY A CA 1 +ATOM 2759 C C . GLY A 1 372 ? 22.718 31.833 34.713 1.00 26.30 ? 372 GLY A C 1 +ATOM 2760 O O . GLY A 1 372 ? 21.888 32.497 35.321 1.00 39.16 ? 372 GLY A O 1 +ATOM 2761 N N . LYS A 1 373 ? 24.010 31.932 34.943 1.00 34.69 ? 373 LYS A N 1 +ATOM 2762 C CA . LYS A 1 373 ? 24.470 32.869 35.949 1.00 21.88 ? 373 LYS A CA 1 +ATOM 2763 C C . LYS A 1 373 ? 25.111 34.067 35.274 1.00 30.11 ? 373 LYS A C 1 +ATOM 2764 O O . LYS A 1 373 ? 25.948 33.909 34.370 1.00 29.04 ? 373 LYS A O 1 +ATOM 2765 C CB . LYS A 1 373 ? 25.360 32.212 36.978 1.00 42.96 ? 373 LYS A CB 1 +ATOM 2766 C CG . LYS A 1 373 ? 26.286 33.173 37.702 1.00 72.06 ? 373 LYS A CG 1 +ATOM 2767 C CD . LYS A 1 373 ? 27.189 32.482 38.729 1.00 100.00 ? 373 LYS A CD 1 +ATOM 2768 C CE . LYS A 1 373 ? 27.569 33.369 39.921 1.00 100.00 ? 373 LYS A CE 1 +ATOM 2769 N NZ . LYS A 1 373 ? 28.499 32.705 40.843 1.00 100.00 ? 373 LYS A NZ 1 +ATOM 2770 N N . LEU A 1 374 ? 24.666 35.260 35.692 1.00 36.84 ? 374 LEU A N 1 +ATOM 2771 C CA . LEU A 1 374 ? 25.164 36.500 35.145 1.00 39.92 ? 374 LEU A CA 1 +ATOM 2772 C C . LEU A 1 374 ? 26.615 36.686 35.535 1.00 40.55 ? 374 LEU A C 1 +ATOM 2773 O O . LEU A 1 374 ? 26.942 36.857 36.729 1.00 37.86 ? 374 LEU A O 1 +ATOM 2774 C CB . LEU A 1 374 ? 24.294 37.712 35.529 1.00 40.37 ? 374 LEU A CB 1 +ATOM 2775 C CG . LEU A 1 374 ? 24.816 39.056 35.041 1.00 36.80 ? 374 LEU A CG 1 +ATOM 2776 C CD1 . LEU A 1 374 ? 24.737 39.159 33.521 1.00 24.22 ? 374 LEU A CD1 1 +ATOM 2777 C CD2 . LEU A 1 374 ? 23.950 40.128 35.658 1.00 38.55 ? 374 LEU A CD2 1 +ATOM 2778 N N . MET A 1 375 ? 27.447 36.594 34.479 1.00 22.95 ? 375 MET A N 1 +ATOM 2779 C CA . MET A 1 375 ? 28.898 36.668 34.576 1.00 22.57 ? 375 MET A CA 1 +ATOM 2780 C C . MET A 1 375 ? 29.509 37.994 34.178 1.00 33.92 ? 375 MET A C 1 +ATOM 2781 O O . MET A 1 375 ? 30.561 38.380 34.687 1.00 28.67 ? 375 MET A O 1 +ATOM 2782 C CB . MET A 1 375 ? 29.513 35.572 33.670 1.00 20.78 ? 375 MET A CB 1 +ATOM 2783 C CG . MET A 1 375 ? 28.965 34.163 33.911 1.00 15.02 ? 375 MET A CG 1 +ATOM 2784 S SD . MET A 1 375 ? 29.414 33.544 35.556 1.00 28.55 ? 375 MET A SD 1 +ATOM 2785 C CE . MET A 1 375 ? 31.180 33.210 35.405 1.00 21.98 ? 375 MET A CE 1 +ATOM 2786 N N . VAL A 1 376 ? 28.859 38.634 33.208 1.00 36.79 ? 376 VAL A N 1 +ATOM 2787 C CA . VAL A 1 376 ? 29.303 39.903 32.654 1.00 29.76 ? 376 VAL A CA 1 +ATOM 2788 C C . VAL A 1 376 ? 28.126 40.834 32.434 1.00 33.33 ? 376 VAL A C 1 +ATOM 2789 O O . VAL A 1 376 ? 27.100 40.495 31.862 1.00 43.23 ? 376 VAL A O 1 +ATOM 2790 C CB . VAL A 1 376 ? 30.075 39.805 31.335 1.00 27.36 ? 376 VAL A CB 1 +ATOM 2791 C CG1 . VAL A 1 376 ? 30.403 41.219 30.911 1.00 25.98 ? 376 VAL A CG1 1 +ATOM 2792 C CG2 . VAL A 1 376 ? 31.349 38.952 31.433 1.00 18.25 ? 376 VAL A CG2 1 +ATOM 2793 N N . LYS A 1 377 ? 28.318 42.044 32.868 1.00 38.33 ? 377 LYS A N 1 +ATOM 2794 C CA . LYS A 1 377 ? 27.329 43.072 32.748 1.00 37.94 ? 377 LYS A CA 1 +ATOM 2795 C C . LYS A 1 377 ? 27.954 44.339 32.196 1.00 42.71 ? 377 LYS A C 1 +ATOM 2796 O O . LYS A 1 377 ? 28.985 44.848 32.673 1.00 36.24 ? 377 LYS A O 1 +ATOM 2797 C CB . LYS A 1 377 ? 26.700 43.359 34.089 1.00 38.58 ? 377 LYS A CB 1 +ATOM 2798 C CG . LYS A 1 377 ? 25.262 43.835 33.987 1.00 76.32 ? 377 LYS A CG 1 +ATOM 2799 C CD . LYS A 1 377 ? 24.883 44.796 35.104 1.00 100.00 ? 377 LYS A CD 1 +ATOM 2800 C CE . LYS A 1 377 ? 23.583 45.555 34.815 1.00 100.00 ? 377 LYS A CE 1 +ATOM 2801 N NZ . LYS A 1 377 ? 22.387 44.837 35.215 1.00 100.00 ? 377 LYS A NZ 1 +ATOM 2802 N N . ASP A 1 378 ? 27.307 44.857 31.181 1.00 42.26 ? 378 ASP A N 1 +ATOM 2803 C CA . ASP A 1 378 ? 27.828 46.063 30.624 1.00 54.12 ? 378 ASP A CA 1 +ATOM 2804 C C . ASP A 1 378 ? 29.287 45.880 30.263 1.00 43.05 ? 378 ASP A C 1 +ATOM 2805 O O . ASP A 1 378 ? 30.131 46.666 30.678 1.00 40.61 ? 378 ASP A O 1 +ATOM 2806 C CB . ASP A 1 378 ? 27.685 47.224 31.619 1.00 58.14 ? 378 ASP A CB 1 +ATOM 2807 C CG . ASP A 1 378 ? 26.306 47.826 31.572 1.00 96.65 ? 378 ASP A CG 1 +ATOM 2808 O OD1 . ASP A 1 378 ? 25.472 47.522 30.712 1.00 100.00 ? 378 ASP A OD1 1 +ATOM 2809 O OD2 . ASP A 1 378 ? 26.100 48.682 32.561 1.00 100.00 ? 378 ASP A OD2 1 +ATOM 2810 N N . GLY A 1 379 ? 29.534 44.824 29.493 1.00 49.14 ? 379 GLY A N 1 +ATOM 2811 C CA . GLY A 1 379 ? 30.838 44.455 28.987 1.00 46.02 ? 379 GLY A CA 1 +ATOM 2812 C C . GLY A 1 379 ? 31.899 44.199 30.064 1.00 49.93 ? 379 GLY A C 1 +ATOM 2813 O O . GLY A 1 379 ? 33.089 44.150 29.756 1.00 51.57 ? 379 GLY A O 1 +ATOM 2814 N N . LYS A 1 380 ? 31.474 44.070 31.318 1.00 40.90 ? 380 LYS A N 1 +ATOM 2815 C CA . LYS A 1 380 ? 32.420 43.852 32.399 1.00 37.50 ? 380 LYS A CA 1 +ATOM 2816 C C . LYS A 1 380 ? 32.033 42.733 33.368 1.00 40.46 ? 380 LYS A C 1 +ATOM 2817 O O . LYS A 1 380 ? 30.862 42.510 33.678 1.00 44.29 ? 380 LYS A O 1 +ATOM 2818 C CB . LYS A 1 380 ? 32.849 45.137 33.080 1.00 39.13 ? 380 LYS A CB 1 +ATOM 2819 C CG . LYS A 1 380 ? 33.849 45.942 32.268 1.00 42.96 ? 380 LYS A CG 1 +ATOM 2820 C CD . LYS A 1 380 ? 34.837 46.730 33.123 1.00 100.00 ? 380 LYS A CD 1 +ATOM 2821 C CE . LYS A 1 380 ? 34.375 48.189 33.376 1.00 100.00 ? 380 LYS A CE 1 +ATOM 2822 N NZ . LYS A 1 380 ? 35.278 48.908 34.314 1.00 100.00 ? 380 LYS A NZ 1 +ATOM 2823 N N . ALA A 1 381 ? 33.046 41.998 33.811 1.00 44.11 ? 381 ALA A N 1 +ATOM 2824 C CA . ALA A 1 381 ? 32.821 40.858 34.677 1.00 43.56 ? 381 ALA A CA 1 +ATOM 2825 C C . ALA A 1 381 ? 32.426 41.246 36.061 1.00 46.56 ? 381 ALA A C 1 +ATOM 2826 O O . ALA A 1 381 ? 33.180 41.935 36.746 1.00 47.24 ? 381 ALA A O 1 +ATOM 2827 C CB . ALA A 1 381 ? 34.044 39.949 34.749 1.00 41.37 ? 381 ALA A CB 1 +ATOM 2828 N N . CYS A 1 382 ? 31.261 40.782 36.453 1.00 40.16 ? 382 CYS A N 1 +ATOM 2829 C CA . CYS A 1 382 ? 30.779 41.022 37.780 1.00 28.17 ? 382 CYS A CA 1 +ATOM 2830 C C . CYS A 1 382 ? 31.118 39.764 38.575 1.00 31.45 ? 382 CYS A C 1 +ATOM 2831 O O . CYS A 1 382 ? 30.934 39.703 39.775 1.00 54.53 ? 382 CYS A O 1 +ATOM 2832 C CB . CYS A 1 382 ? 29.283 41.408 37.799 1.00 41.35 ? 382 CYS A CB 1 +ATOM 2833 S SG . CYS A 1 382 ? 28.283 40.305 36.780 1.00 47.81 ? 382 CYS A SG 1 +ATOM 2834 N N . VAL A 1 383 ? 31.631 38.749 37.870 1.00 40.42 ? 383 VAL A N 1 +ATOM 2835 C CA . VAL A 1 383 ? 32.063 37.502 38.487 1.00 37.74 ? 383 VAL A CA 1 +ATOM 2836 C C . VAL A 1 383 ? 33.548 37.270 38.198 1.00 33.82 ? 383 VAL A C 1 +ATOM 2837 O O . VAL A 1 383 ? 33.952 37.149 37.048 1.00 39.86 ? 383 VAL A O 1 +ATOM 2838 C CB . VAL A 1 383 ? 31.234 36.273 38.146 1.00 32.37 ? 383 VAL A CB 1 +ATOM 2839 C CG1 . VAL A 1 383 ? 31.888 35.045 38.797 1.00 22.09 ? 383 VAL A CG1 1 +ATOM 2840 C CG2 . VAL A 1 383 ? 29.845 36.444 38.718 1.00 36.13 ? 383 VAL A CG2 1 +ATOM 2841 N N . LYS A 1 384 ? 34.373 37.239 39.231 1.00 35.02 ? 384 LYS A N 1 +ATOM 2842 C CA . LYS A 1 384 ? 35.798 37.055 39.006 1.00 42.53 ? 384 LYS A CA 1 +ATOM 2843 C C . LYS A 1 384 ? 36.354 35.771 39.592 1.00 39.43 ? 384 LYS A C 1 +ATOM 2844 O O . LYS A 1 384 ? 35.823 35.198 40.543 1.00 31.01 ? 384 LYS A O 1 +ATOM 2845 C CB . LYS A 1 384 ? 36.577 38.221 39.626 1.00 52.60 ? 384 LYS A CB 1 +ATOM 2846 C CG . LYS A 1 384 ? 36.924 39.351 38.660 1.00 56.78 ? 384 LYS A CG 1 +ATOM 2847 C CD . LYS A 1 384 ? 37.449 40.597 39.361 1.00 79.18 ? 384 LYS A CD 1 +ATOM 2848 C CE . LYS A 1 384 ? 36.910 41.916 38.816 1.00 100.00 ? 384 LYS A CE 1 +ATOM 2849 N NZ . LYS A 1 384 ? 37.114 43.048 39.723 1.00 100.00 ? 384 LYS A NZ 1 +ATOM 2850 N N . GLY A 1 385 ? 37.461 35.326 39.015 1.00 37.16 ? 385 GLY A N 1 +ATOM 2851 C CA . GLY A 1 385 ? 38.151 34.166 39.531 1.00 37.53 ? 385 GLY A CA 1 +ATOM 2852 C C . GLY A 1 385 ? 38.590 34.494 40.963 1.00 34.31 ? 385 GLY A C 1 +ATOM 2853 O O . GLY A 1 385 ? 38.837 35.657 41.321 1.00 49.39 ? 385 GLY A O 1 +ATOM 2854 N N . THR A 1 386 ? 38.685 33.460 41.789 1.00 44.51 ? 386 THR A N 1 +ATOM 2855 C CA . THR A 1 386 ? 39.056 33.583 43.190 1.00 58.47 ? 386 THR A CA 1 +ATOM 2856 C C . THR A 1 386 ? 40.233 34.528 43.494 1.00 52.71 ? 386 THR A C 1 +ATOM 2857 O O . THR A 1 386 ? 40.231 35.196 44.545 1.00 36.32 ? 386 THR A O 1 +ATOM 2858 C CB . THR A 1 386 ? 39.174 32.209 43.891 1.00 70.11 ? 386 THR A CB 1 +ATOM 2859 O OG1 . THR A 1 386 ? 37.991 31.448 43.707 1.00 46.89 ? 386 THR A OG1 1 +ATOM 2860 C CG2 . THR A 1 386 ? 39.412 32.404 45.379 1.00 35.82 ? 386 THR A CG2 1 +ATOM 2861 N N . PHE A 1 387 ? 41.229 34.579 42.578 1.00 34.13 ? 387 PHE A N 1 +ATOM 2862 C CA . PHE A 1 387 ? 42.372 35.426 42.803 1.00 23.97 ? 387 PHE A CA 1 +ATOM 2863 C C . PHE A 1 387 ? 42.593 36.599 41.883 1.00 49.30 ? 387 PHE A C 1 +ATOM 2864 O O . PHE A 1 387 ? 43.685 37.164 41.889 1.00 66.98 ? 387 PHE A O 1 +ATOM 2865 C CB . PHE A 1 387 ? 43.657 34.636 43.073 1.00 29.87 ? 387 PHE A CB 1 +ATOM 2866 C CG . PHE A 1 387 ? 43.505 33.846 44.350 1.00 32.09 ? 387 PHE A CG 1 +ATOM 2867 C CD1 . PHE A 1 387 ? 43.652 32.463 44.359 1.00 46.90 ? 387 PHE A CD1 1 +ATOM 2868 C CD2 . PHE A 1 387 ? 43.154 34.444 45.559 1.00 40.75 ? 387 PHE A CD2 1 +ATOM 2869 C CE1 . PHE A 1 387 ? 43.478 31.705 45.521 1.00 38.53 ? 387 PHE A CE1 1 +ATOM 2870 C CE2 . PHE A 1 387 ? 43.001 33.708 46.739 1.00 37.08 ? 387 PHE A CE2 1 +ATOM 2871 C CZ . PHE A 1 387 ? 43.167 32.327 46.729 1.00 28.69 ? 387 PHE A CZ 1 +ATOM 2872 N N . GLU A 1 388 ? 41.582 36.991 41.124 1.00 58.77 ? 388 GLU A N 1 +ATOM 2873 C CA . GLU A 1 388 ? 41.727 38.158 40.249 1.00 64.05 ? 388 GLU A CA 1 +ATOM 2874 C C . GLU A 1 388 ? 41.722 39.456 41.077 1.00 73.45 ? 388 GLU A C 1 +ATOM 2875 O O . GLU A 1 388 ? 41.004 39.561 42.078 1.00 78.27 ? 388 GLU A O 1 +ATOM 2876 C CB . GLU A 1 388 ? 40.681 38.197 39.103 1.00 65.96 ? 388 GLU A CB 1 +ATOM 2877 C CG . GLU A 1 388 ? 40.662 36.927 38.207 1.00 50.61 ? 388 GLU A CG 1 +ATOM 2878 C CD . GLU A 1 388 ? 39.613 36.916 37.107 1.00 64.27 ? 388 GLU A CD 1 +ATOM 2879 O OE1 . GLU A 1 388 ? 38.560 36.292 37.157 1.00 36.47 ? 388 GLU A OE1 1 +ATOM 2880 O OE2 . GLU A 1 388 ? 39.951 37.585 36.049 1.00 56.42 ? 388 GLU A OE2 1 +ATOM 2881 N N . THR A 1 389 ? 42.522 40.434 40.655 1.00 72.11 ? 389 THR A N 1 +ATOM 2882 C CA . THR A 1 389 ? 42.626 41.673 41.396 1.00 100.00 ? 389 THR A CA 1 +ATOM 2883 C C . THR A 1 389 ? 42.694 42.925 40.497 1.00 100.00 ? 389 THR A C 1 +ATOM 2884 O O . THR A 1 389 ? 43.614 43.108 39.754 1.00 100.00 ? 389 THR A O 1 +ATOM 2885 C CB . THR A 1 389 ? 43.822 41.582 42.402 1.00 100.00 ? 389 THR A CB 1 +ATOM 2886 O OG1 . THR A 1 389 ? 44.937 40.889 41.852 1.00 96.37 ? 389 THR A OG1 1 +ATOM 2887 C CG2 . THR A 1 389 ? 43.344 40.931 43.701 1.00 100.00 ? 389 THR A CG2 1 +ATOM 2888 N N . MET B 1 1 ? -0.191 26.989 22.445 1.00 100.00 ? 1 MET B N 1 +ATOM 2889 C CA . MET B 1 1 ? 0.493 26.434 23.594 1.00 100.00 ? 1 MET B CA 1 +ATOM 2890 C C . MET B 1 1 ? 2.013 26.602 23.530 1.00 86.70 ? 1 MET B C 1 +ATOM 2891 O O . MET B 1 1 ? 2.629 26.437 22.466 1.00 88.34 ? 1 MET B O 1 +ATOM 2892 C CB . MET B 1 1 ? 0.122 24.934 23.835 1.00 100.00 ? 1 MET B CB 1 +ATOM 2893 C CG . MET B 1 1 ? -1.216 24.690 24.511 1.00 100.00 ? 1 MET B CG 1 +ATOM 2894 S SD . MET B 1 1 ? -2.001 23.067 24.135 1.00 100.00 ? 1 MET B SD 1 +ATOM 2895 C CE . MET B 1 1 ? -3.567 23.197 24.960 1.00 100.00 ? 1 MET B CE 1 +ATOM 2896 N N . ILE B 1 2 ? 2.611 26.888 24.694 1.00 73.80 ? 2 ILE B N 1 +ATOM 2897 C CA . ILE B 1 2 ? 4.057 26.979 24.800 1.00 56.60 ? 2 ILE B CA 1 +ATOM 2898 C C . ILE B 1 2 ? 4.489 25.745 25.581 1.00 52.04 ? 2 ILE B C 1 +ATOM 2899 O O . ILE B 1 2 ? 3.759 25.292 26.482 1.00 54.78 ? 2 ILE B O 1 +ATOM 2900 C CB . ILE B 1 2 ? 4.598 28.246 25.408 1.00 51.87 ? 2 ILE B CB 1 +ATOM 2901 C CG1 . ILE B 1 2 ? 4.409 29.373 24.425 1.00 49.65 ? 2 ILE B CG1 1 +ATOM 2902 C CG2 . ILE B 1 2 ? 6.090 28.101 25.682 1.00 41.46 ? 2 ILE B CG2 1 +ATOM 2903 C CD1 . ILE B 1 2 ? 4.747 30.712 25.067 1.00 36.23 ? 2 ILE B CD1 1 +ATOM 2904 N N . ASP B 1 3 ? 5.629 25.168 25.188 1.00 55.68 ? 3 ASP B N 1 +ATOM 2905 C CA . ASP B 1 3 ? 6.125 23.960 25.830 1.00 52.43 ? 3 ASP B CA 1 +ATOM 2906 C C . ASP B 1 3 ? 7.128 24.252 26.933 1.00 61.99 ? 3 ASP B C 1 +ATOM 2907 O O . ASP B 1 3 ? 8.193 24.780 26.636 1.00 49.05 ? 3 ASP B O 1 +ATOM 2908 C CB . ASP B 1 3 ? 6.770 23.024 24.805 1.00 42.78 ? 3 ASP B CB 1 +ATOM 2909 C CG . ASP B 1 3 ? 7.164 21.775 25.504 1.00 59.76 ? 3 ASP B CG 1 +ATOM 2910 O OD1 . ASP B 1 3 ? 6.420 21.218 26.287 1.00 52.94 ? 3 ASP B OD1 1 +ATOM 2911 O OD2 . ASP B 1 3 ? 8.389 21.414 25.217 1.00 89.94 ? 3 ASP B OD2 1 +ATOM 2912 N N . TYR B 1 4 ? 6.790 23.895 28.184 1.00 49.12 ? 4 TYR B N 1 +ATOM 2913 C CA . TYR B 1 4 ? 7.644 24.132 29.314 1.00 35.55 ? 4 TYR B CA 1 +ATOM 2914 C C . TYR B 1 4 ? 8.079 22.805 29.930 1.00 36.30 ? 4 TYR B C 1 +ATOM 2915 O O . TYR B 1 4 ? 8.460 22.693 31.099 1.00 38.64 ? 4 TYR B O 1 +ATOM 2916 C CB . TYR B 1 4 ? 6.756 24.871 30.318 1.00 47.29 ? 4 TYR B CB 1 +ATOM 2917 C CG . TYR B 1 4 ? 6.266 26.222 29.868 1.00 46.37 ? 4 TYR B CG 1 +ATOM 2918 C CD1 . TYR B 1 4 ? 4.964 26.406 29.403 1.00 41.99 ? 4 TYR B CD1 1 +ATOM 2919 C CD2 . TYR B 1 4 ? 7.114 27.329 29.949 1.00 50.21 ? 4 TYR B CD2 1 +ATOM 2920 C CE1 . TYR B 1 4 ? 4.518 27.674 29.030 1.00 25.96 ? 4 TYR B CE1 1 +ATOM 2921 C CE2 . TYR B 1 4 ? 6.687 28.599 29.568 1.00 51.76 ? 4 TYR B CE2 1 +ATOM 2922 C CZ . TYR B 1 4 ? 5.383 28.770 29.107 1.00 53.49 ? 4 TYR B CZ 1 +ATOM 2923 O OH . TYR B 1 4 ? 4.972 30.026 28.717 1.00 56.18 ? 4 TYR B OH 1 +ATOM 2924 N N . THR B 1 5 ? 7.956 21.764 29.119 1.00 39.43 ? 5 THR B N 1 +ATOM 2925 C CA . THR B 1 5 ? 8.233 20.415 29.587 1.00 40.09 ? 5 THR B CA 1 +ATOM 2926 C C . THR B 1 5 ? 9.646 20.095 29.963 1.00 44.74 ? 5 THR B C 1 +ATOM 2927 O O . THR B 1 5 ? 9.920 19.164 30.727 1.00 47.03 ? 5 THR B O 1 +ATOM 2928 C CB . THR B 1 5 ? 7.670 19.364 28.639 1.00 56.55 ? 5 THR B CB 1 +ATOM 2929 O OG1 . THR B 1 5 ? 8.286 19.480 27.377 1.00 68.24 ? 5 THR B OG1 1 +ATOM 2930 C CG2 . THR B 1 5 ? 6.172 19.590 28.549 1.00 39.52 ? 5 THR B CG2 1 +ATOM 2931 N N . ALA B 1 6 ? 10.556 20.867 29.412 1.00 38.58 ? 6 ALA B N 1 +ATOM 2932 C CA . ALA B 1 6 ? 11.940 20.627 29.734 1.00 27.80 ? 6 ALA B CA 1 +ATOM 2933 C C . ALA B 1 6 ? 12.212 20.817 31.220 1.00 34.51 ? 6 ALA B C 1 +ATOM 2934 O O . ALA B 1 6 ? 13.136 20.224 31.730 1.00 59.04 ? 6 ALA B O 1 +ATOM 2935 C CB . ALA B 1 6 ? 12.815 21.496 28.844 1.00 27.55 ? 6 ALA B CB 1 +ATOM 2936 N N . ALA B 1 7 ? 11.419 21.617 31.919 1.00 26.25 ? 7 ALA B N 1 +ATOM 2937 C CA . ALA B 1 7 ? 11.618 21.855 33.342 1.00 19.86 ? 7 ALA B CA 1 +ATOM 2938 C C . ALA B 1 7 ? 11.279 20.651 34.252 1.00 33.50 ? 7 ALA B C 1 +ATOM 2939 O O . ALA B 1 7 ? 11.784 20.510 35.385 1.00 22.77 ? 7 ALA B O 1 +ATOM 2940 C CB . ALA B 1 7 ? 10.800 23.074 33.707 1.00 24.04 ? 7 ALA B CB 1 +ATOM 2941 N N . GLY B 1 8 ? 10.398 19.767 33.768 1.00 26.50 ? 8 GLY B N 1 +ATOM 2942 C CA . GLY B 1 8 ? 9.968 18.625 34.553 1.00 19.56 ? 8 GLY B CA 1 +ATOM 2943 C C . GLY B 1 8 ? 9.310 19.015 35.912 1.00 18.14 ? 8 GLY B C 1 +ATOM 2944 O O . GLY B 1 8 ? 9.610 18.459 36.954 1.00 38.86 ? 8 GLY B O 1 +ATOM 2945 N N . PHE B 1 9 ? 8.396 19.971 35.871 1.00 16.51 ? 9 PHE B N 1 +ATOM 2946 C CA . PHE B 1 9 ? 7.712 20.476 37.016 1.00 25.23 ? 9 PHE B CA 1 +ATOM 2947 C C . PHE B 1 9 ? 6.872 19.442 37.677 1.00 24.25 ? 9 PHE B C 1 +ATOM 2948 O O . PHE B 1 9 ? 5.958 18.909 37.071 1.00 22.30 ? 9 PHE B O 1 +ATOM 2949 C CB . PHE B 1 9 ? 6.785 21.607 36.595 1.00 26.47 ? 9 PHE B CB 1 +ATOM 2950 C CG . PHE B 1 9 ? 7.573 22.837 36.320 1.00 23.49 ? 9 PHE B CG 1 +ATOM 2951 C CD1 . PHE B 1 9 ? 7.314 23.563 35.159 1.00 32.29 ? 9 PHE B CD1 1 +ATOM 2952 C CD2 . PHE B 1 9 ? 8.549 23.292 37.213 1.00 26.09 ? 9 PHE B CD2 1 +ATOM 2953 C CE1 . PHE B 1 9 ? 8.019 24.725 34.850 1.00 34.04 ? 9 PHE B CE1 1 +ATOM 2954 C CE2 . PHE B 1 9 ? 9.256 24.461 36.929 1.00 33.73 ? 9 PHE B CE2 1 +ATOM 2955 C CZ . PHE B 1 9 ? 9.001 25.158 35.742 1.00 31.42 ? 9 PHE B CZ 1 +ATOM 2956 N N . THR B 1 10 ? 7.188 19.194 38.928 1.00 20.93 ? 10 THR B N 1 +ATOM 2957 C CA . THR B 1 10 ? 6.434 18.226 39.662 1.00 18.30 ? 10 THR B CA 1 +ATOM 2958 C C . THR B 1 10 ? 6.075 18.763 41.003 1.00 25.92 ? 10 THR B C 1 +ATOM 2959 O O . THR B 1 10 ? 6.894 19.374 41.668 1.00 21.92 ? 10 THR B O 1 +ATOM 2960 C CB . THR B 1 10 ? 7.126 16.873 39.731 1.00 33.18 ? 10 THR B CB 1 +ATOM 2961 O OG1 . THR B 1 10 ? 7.639 16.605 38.433 1.00 47.79 ? 10 THR B OG1 1 +ATOM 2962 C CG2 . THR B 1 10 ? 6.070 15.841 40.085 1.00 32.20 ? 10 THR B CG2 1 +ATOM 2963 N N . LEU B 1 11 ? 4.818 18.570 41.352 1.00 28.67 ? 11 LEU B N 1 +ATOM 2964 C CA . LEU B 1 11 ? 4.367 19.063 42.618 1.00 25.25 ? 11 LEU B CA 1 +ATOM 2965 C C . LEU B 1 11 ? 3.774 17.917 43.371 1.00 21.57 ? 11 LEU B C 1 +ATOM 2966 O O . LEU B 1 11 ? 2.802 17.325 42.921 1.00 31.31 ? 11 LEU B O 1 +ATOM 2967 C CB . LEU B 1 11 ? 3.379 20.222 42.449 1.00 22.65 ? 11 LEU B CB 1 +ATOM 2968 C CG . LEU B 1 11 ? 2.590 20.493 43.721 1.00 31.84 ? 11 LEU B CG 1 +ATOM 2969 C CD1 . LEU B 1 11 ? 3.513 21.134 44.763 1.00 36.92 ? 11 LEU B CD1 1 +ATOM 2970 C CD2 . LEU B 1 11 ? 1.500 21.482 43.340 1.00 29.66 ? 11 LEU B CD2 1 +ATOM 2971 N N . LEU B 1 12 ? 4.409 17.631 44.490 1.00 31.82 ? 12 LEU B N 1 +ATOM 2972 C CA . LEU B 1 12 ? 4.045 16.571 45.437 1.00 34.67 ? 12 LEU B CA 1 +ATOM 2973 C C . LEU B 1 12 ? 3.277 17.229 46.545 1.00 27.60 ? 12 LEU B C 1 +ATOM 2974 O O . LEU B 1 12 ? 3.822 18.039 47.266 1.00 28.36 ? 12 LEU B O 1 +ATOM 2975 C CB . LEU B 1 12 ? 5.325 15.844 45.888 1.00 43.07 ? 12 LEU B CB 1 +ATOM 2976 C CG . LEU B 1 12 ? 6.100 15.487 44.613 1.00 49.03 ? 12 LEU B CG 1 +ATOM 2977 C CD1 . LEU B 1 12 ? 7.529 15.981 44.639 1.00 46.98 ? 12 LEU B CD1 1 +ATOM 2978 C CD2 . LEU B 1 12 ? 6.008 14.009 44.233 1.00 32.59 ? 12 LEU B CD2 1 +ATOM 2979 N N . GLN B 1 13 ? 1.998 16.879 46.595 1.00 35.08 ? 13 GLN B N 1 +ATOM 2980 C CA . GLN B 1 13 ? 1.002 17.464 47.451 1.00 35.77 ? 13 GLN B CA 1 +ATOM 2981 C C . GLN B 1 13 ? 0.362 16.667 48.562 1.00 28.33 ? 13 GLN B C 1 +ATOM 2982 O O . GLN B 1 13 ? -0.066 15.552 48.395 1.00 40.23 ? 13 GLN B O 1 +ATOM 2983 C CB . GLN B 1 13 ? -0.152 17.771 46.501 1.00 38.94 ? 13 GLN B CB 1 +ATOM 2984 C CG . GLN B 1 13 ? -0.496 19.255 46.420 1.00 82.69 ? 13 GLN B CG 1 +ATOM 2985 C CD . GLN B 1 13 ? -1.739 19.503 45.609 1.00 83.42 ? 13 GLN B CD 1 +ATOM 2986 O OE1 . GLN B 1 13 ? -1.978 20.646 45.200 1.00 57.58 ? 13 GLN B OE1 1 +ATOM 2987 N NE2 . GLN B 1 13 ? -2.531 18.443 45.382 1.00 58.27 ? 13 GLN B NE2 1 +ATOM 2988 N N . GLY B 1 14 ? 0.274 17.299 49.704 1.00 33.34 ? 14 GLY B N 1 +ATOM 2989 C CA . GLY B 1 14 ? -0.421 16.747 50.861 1.00 32.19 ? 14 GLY B CA 1 +ATOM 2990 C C . GLY B 1 14 ? 0.187 15.691 51.724 1.00 41.42 ? 14 GLY B C 1 +ATOM 2991 O O . GLY B 1 14 ? -0.522 15.011 52.504 1.00 50.25 ? 14 GLY B O 1 +ATOM 2992 N N . ALA B 1 15 ? 1.478 15.526 51.649 1.00 38.40 ? 15 ALA B N 1 +ATOM 2993 C CA . ALA B 1 15 ? 2.034 14.488 52.480 1.00 29.41 ? 15 ALA B CA 1 +ATOM 2994 C C . ALA B 1 15 ? 2.565 15.009 53.800 1.00 22.19 ? 15 ALA B C 1 +ATOM 2995 O O . ALA B 1 15 ? 2.802 16.208 53.928 1.00 25.98 ? 15 ALA B O 1 +ATOM 2996 C CB . ALA B 1 15 ? 3.131 13.781 51.712 1.00 29.29 ? 15 ALA B CB 1 +ATOM 2997 N N . HIS B 1 16 ? 2.718 14.082 54.769 1.00 22.82 ? 16 HIS B N 1 +ATOM 2998 C CA . HIS B 1 16 ? 3.280 14.424 56.028 1.00 25.17 ? 16 HIS B CA 1 +ATOM 2999 C C . HIS B 1 16 ? 4.761 14.278 55.763 1.00 35.44 ? 16 HIS B C 1 +ATOM 3000 O O . HIS B 1 16 ? 5.247 13.174 55.561 1.00 27.65 ? 16 HIS B O 1 +ATOM 3001 C CB . HIS B 1 16 ? 2.801 13.571 57.199 1.00 23.91 ? 16 HIS B CB 1 +ATOM 3002 C CG . HIS B 1 16 ? 3.339 14.021 58.530 1.00 36.11 ? 16 HIS B CG 1 +ATOM 3003 N ND1 . HIS B 1 16 ? 2.831 13.539 59.717 1.00 44.34 ? 16 HIS B ND1 1 +ATOM 3004 C CD2 . HIS B 1 16 ? 4.346 14.863 58.827 1.00 36.08 ? 16 HIS B CD2 1 +ATOM 3005 C CE1 . HIS B 1 16 ? 3.512 14.093 60.704 1.00 39.00 ? 16 HIS B CE1 1 +ATOM 3006 N NE2 . HIS B 1 16 ? 4.430 14.889 60.200 1.00 39.84 ? 16 HIS B NE2 1 +ATOM 3007 N N . LEU B 1 17 ? 5.420 15.428 55.721 1.00 25.88 ? 17 LEU B N 1 +ATOM 3008 C CA . LEU B 1 17 ? 6.816 15.508 55.445 1.00 24.45 ? 17 LEU B CA 1 +ATOM 3009 C C . LEU B 1 17 ? 7.727 15.406 56.658 1.00 33.70 ? 17 LEU B C 1 +ATOM 3010 O O . LEU B 1 17 ? 7.517 16.015 57.700 1.00 36.11 ? 17 LEU B O 1 +ATOM 3011 C CB . LEU B 1 17 ? 7.028 16.779 54.597 1.00 20.52 ? 17 LEU B CB 1 +ATOM 3012 C CG . LEU B 1 17 ? 8.476 17.279 54.365 1.00 24.80 ? 17 LEU B CG 1 +ATOM 3013 C CD1 . LEU B 1 17 ? 9.322 16.285 53.580 1.00 21.80 ? 17 LEU B CD1 1 +ATOM 3014 C CD2 . LEU B 1 17 ? 8.368 18.504 53.501 1.00 36.67 ? 17 LEU B CD2 1 +ATOM 3015 N N . TYR B 1 18 ? 8.757 14.590 56.476 1.00 22.55 ? 18 TYR B N 1 +ATOM 3016 C CA . TYR B 1 18 ? 9.845 14.405 57.407 1.00 31.53 ? 18 TYR B CA 1 +ATOM 3017 C C . TYR B 1 18 ? 11.062 14.796 56.589 1.00 31.17 ? 18 TYR B C 1 +ATOM 3018 O O . TYR B 1 18 ? 11.393 14.155 55.611 1.00 25.78 ? 18 TYR B O 1 +ATOM 3019 C CB . TYR B 1 18 ? 9.910 12.996 57.961 1.00 28.05 ? 18 TYR B CB 1 +ATOM 3020 C CG . TYR B 1 18 ? 8.706 12.653 58.814 1.00 29.74 ? 18 TYR B CG 1 +ATOM 3021 C CD1 . TYR B 1 18 ? 7.525 12.213 58.206 1.00 39.08 ? 18 TYR B CD1 1 +ATOM 3022 C CD2 . TYR B 1 18 ? 8.736 12.756 60.205 1.00 21.98 ? 18 TYR B CD2 1 +ATOM 3023 C CE1 . TYR B 1 18 ? 6.396 11.869 58.955 1.00 21.74 ? 18 TYR B CE1 1 +ATOM 3024 C CE2 . TYR B 1 18 ? 7.612 12.424 60.966 1.00 28.14 ? 18 TYR B CE2 1 +ATOM 3025 C CZ . TYR B 1 18 ? 6.451 11.961 60.345 1.00 28.99 ? 18 TYR B CZ 1 +ATOM 3026 O OH . TYR B 1 18 ? 5.355 11.628 61.096 1.00 46.77 ? 18 TYR B OH 1 +ATOM 3027 N N . ALA B 1 19 ? 11.654 15.907 56.967 1.00 19.78 ? 19 ALA B N 1 +ATOM 3028 C CA . ALA B 1 19 ? 12.712 16.463 56.200 1.00 21.86 ? 19 ALA B CA 1 +ATOM 3029 C C . ALA B 1 19 ? 14.146 15.993 56.252 1.00 19.40 ? 19 ALA B C 1 +ATOM 3030 O O . ALA B 1 19 ? 14.921 16.492 55.420 1.00 28.07 ? 19 ALA B O 1 +ATOM 3031 C CB . ALA B 1 19 ? 12.546 17.971 56.022 1.00 20.62 ? 19 ALA B CB 1 +ATOM 3032 N N . PRO B 1 20 ? 14.556 15.100 57.160 1.00 21.77 ? 20 PRO B N 1 +ATOM 3033 C CA . PRO B 1 20 ? 13.815 14.339 58.198 1.00 30.57 ? 20 PRO B CA 1 +ATOM 3034 C C . PRO B 1 20 ? 13.001 15.068 59.282 1.00 37.73 ? 20 PRO B C 1 +ATOM 3035 O O . PRO B 1 20 ? 12.069 14.508 59.877 1.00 32.01 ? 20 PRO B O 1 +ATOM 3036 C CB . PRO B 1 20 ? 14.880 13.515 58.906 1.00 19.24 ? 20 PRO B CB 1 +ATOM 3037 C CG . PRO B 1 20 ? 16.234 14.110 58.535 1.00 15.18 ? 20 PRO B CG 1 +ATOM 3038 C CD . PRO B 1 20 ? 15.986 15.198 57.507 1.00 13.54 ? 20 PRO B CD 1 +ATOM 3039 N N . GLU B 1 21 ? 13.342 16.305 59.587 1.00 35.83 ? 21 GLU B N 1 +ATOM 3040 C CA . GLU B 1 21 ? 12.590 17.030 60.600 1.00 28.32 ? 21 GLU B CA 1 +ATOM 3041 C C . GLU B 1 21 ? 11.112 16.957 60.328 1.00 25.00 ? 21 GLU B C 1 +ATOM 3042 O O . GLU B 1 21 ? 10.660 17.068 59.201 1.00 17.57 ? 21 GLU B O 1 +ATOM 3043 C CB . GLU B 1 21 ? 13.049 18.498 60.654 1.00 29.67 ? 21 GLU B CB 1 +ATOM 3044 C CG . GLU B 1 21 ? 14.570 18.589 60.982 1.00 47.01 ? 21 GLU B CG 1 +ATOM 3045 C CD . GLU B 1 21 ? 15.464 18.406 59.772 1.00 100.00 ? 21 GLU B CD 1 +ATOM 3046 O OE1 . GLU B 1 21 ? 15.046 18.276 58.621 1.00 73.70 ? 21 GLU B OE1 1 +ATOM 3047 O OE2 . GLU B 1 21 ? 16.740 18.361 60.111 1.00 100.00 ? 21 GLU B OE2 1 +ATOM 3048 N N . ASP B 1 22 ? 10.308 16.740 61.345 1.00 25.12 ? 22 ASP B N 1 +ATOM 3049 C CA . ASP B 1 22 ? 8.882 16.701 61.076 1.00 21.22 ? 22 ASP B CA 1 +ATOM 3050 C C . ASP B 1 22 ? 8.387 18.068 60.643 1.00 22.76 ? 22 ASP B C 1 +ATOM 3051 O O . ASP B 1 22 ? 8.405 18.992 61.419 1.00 24.10 ? 22 ASP B O 1 +ATOM 3052 C CB . ASP B 1 22 ? 8.109 16.402 62.349 1.00 17.88 ? 22 ASP B CB 1 +ATOM 3053 C CG . ASP B 1 22 ? 6.657 16.160 62.022 1.00 28.31 ? 22 ASP B CG 1 +ATOM 3054 O OD1 . ASP B 1 22 ? 6.151 16.413 60.959 1.00 43.87 ? 22 ASP B OD1 1 +ATOM 3055 O OD2 . ASP B 1 22 ? 5.996 15.590 62.975 1.00 49.20 ? 22 ASP B OD2 1 +ATOM 3056 N N . ARG B 1 23 ? 7.874 18.190 59.433 1.00 25.35 ? 23 ARG B N 1 +ATOM 3057 C CA . ARG B 1 23 ? 7.389 19.467 58.988 1.00 33.37 ? 23 ARG B CA 1 +ATOM 3058 C C . ARG B 1 23 ? 5.886 19.424 58.812 1.00 38.38 ? 23 ARG B C 1 +ATOM 3059 O O . ARG B 1 23 ? 5.272 20.236 58.141 1.00 28.08 ? 23 ARG B O 1 +ATOM 3060 C CB . ARG B 1 23 ? 8.076 19.835 57.674 1.00 25.02 ? 23 ARG B CB 1 +ATOM 3061 C CG . ARG B 1 23 ? 9.584 19.967 57.873 1.00 40.30 ? 23 ARG B CG 1 +ATOM 3062 C CD . ARG B 1 23 ? 10.111 21.363 58.294 1.00 100.00 ? 23 ARG B CD 1 +ATOM 3063 N NE . ARG B 1 23 ? 11.578 21.380 58.592 1.00 100.00 ? 23 ARG B NE 1 +ATOM 3064 C CZ . ARG B 1 23 ? 12.586 21.601 57.695 1.00 100.00 ? 23 ARG B CZ 1 +ATOM 3065 N NH1 . ARG B 1 23 ? 12.345 21.740 56.388 1.00 100.00 ? 23 ARG B NH1 1 +ATOM 3066 N NH2 . ARG B 1 23 ? 13.862 21.570 58.115 1.00 57.32 ? 23 ARG B NH2 1 +ATOM 3067 N N . GLY B 1 24 ? 5.288 18.416 59.381 1.00 27.14 ? 24 GLY B N 1 +ATOM 3068 C CA . GLY B 1 24 ? 3.855 18.218 59.258 1.00 23.40 ? 24 GLY B CA 1 +ATOM 3069 C C . GLY B 1 24 ? 3.396 18.124 57.807 1.00 28.53 ? 24 GLY B C 1 +ATOM 3070 O O . GLY B 1 24 ? 4.087 17.705 56.922 1.00 26.53 ? 24 GLY B O 1 +ATOM 3071 N N . ILE B 1 25 ? 2.189 18.525 57.542 1.00 27.10 ? 25 ILE B N 1 +ATOM 3072 C CA . ILE B 1 25 ? 1.693 18.496 56.205 1.00 20.60 ? 25 ILE B CA 1 +ATOM 3073 C C . ILE B 1 25 ? 2.239 19.625 55.367 1.00 34.45 ? 25 ILE B C 1 +ATOM 3074 O O . ILE B 1 25 ? 2.018 20.830 55.550 1.00 29.89 ? 25 ILE B O 1 +ATOM 3075 C CB . ILE B 1 25 ? 0.178 18.318 56.120 1.00 35.27 ? 25 ILE B CB 1 +ATOM 3076 C CG1 . ILE B 1 25 ? -0.163 16.871 56.505 1.00 38.22 ? 25 ILE B CG1 1 +ATOM 3077 C CG2 . ILE B 1 25 ? -0.240 18.611 54.687 1.00 21.33 ? 25 ILE B CG2 1 +ATOM 3078 C CD1 . ILE B 1 25 ? -1.513 16.378 56.002 1.00 62.57 ? 25 ILE B CD1 1 +ATOM 3079 N N . CYS B 1 26 ? 2.986 19.204 54.392 1.00 33.53 ? 26 CYS B N 1 +ATOM 3080 C CA . CYS B 1 26 ? 3.670 20.187 53.626 1.00 34.98 ? 26 CYS B CA 1 +ATOM 3081 C C . CYS B 1 26 ? 3.775 19.835 52.166 1.00 31.60 ? 26 CYS B C 1 +ATOM 3082 O O . CYS B 1 26 ? 3.652 18.683 51.806 1.00 36.71 ? 26 CYS B O 1 +ATOM 3083 C CB . CYS B 1 26 ? 5.073 20.191 54.257 1.00 27.69 ? 26 CYS B CB 1 +ATOM 3084 S SG . CYS B 1 26 ? 5.932 21.693 53.921 1.00 36.56 ? 26 CYS B SG 1 +ATOM 3085 N N . ASP B 1 27 ? 4.025 20.821 51.333 1.00 33.34 ? 27 ASP B N 1 +ATOM 3086 C CA . ASP B 1 27 ? 4.129 20.545 49.895 1.00 41.91 ? 27 ASP B CA 1 +ATOM 3087 C C . ASP B 1 27 ? 5.546 20.614 49.386 1.00 32.47 ? 27 ASP B C 1 +ATOM 3088 O O . ASP B 1 27 ? 6.386 21.246 50.026 1.00 28.21 ? 27 ASP B O 1 +ATOM 3089 C CB . ASP B 1 27 ? 3.247 21.457 49.015 1.00 40.47 ? 27 ASP B CB 1 +ATOM 3090 C CG . ASP B 1 27 ? 1.786 21.119 49.127 1.00 46.79 ? 27 ASP B CG 1 +ATOM 3091 O OD1 . ASP B 1 27 ? 1.387 20.159 49.772 1.00 31.83 ? 27 ASP B OD1 1 +ATOM 3092 O OD2 . ASP B 1 27 ? 1.020 21.928 48.419 1.00 34.38 ? 27 ASP B OD2 1 +ATOM 3093 N N . VAL B 1 28 ? 5.808 19.968 48.248 1.00 27.86 ? 28 VAL B N 1 +ATOM 3094 C CA . VAL B 1 28 ? 7.163 20.019 47.692 1.00 23.72 ? 28 VAL B CA 1 +ATOM 3095 C C . VAL B 1 28 ? 7.110 20.227 46.203 1.00 28.52 ? 28 VAL B C 1 +ATOM 3096 O O . VAL B 1 28 ? 6.477 19.470 45.462 1.00 29.71 ? 28 VAL B O 1 +ATOM 3097 C CB . VAL B 1 28 ? 7.986 18.780 48.040 1.00 29.13 ? 28 VAL B CB 1 +ATOM 3098 C CG1 . VAL B 1 28 ? 9.389 18.895 47.459 1.00 34.43 ? 28 VAL B CG1 1 +ATOM 3099 C CG2 . VAL B 1 28 ? 8.099 18.598 49.549 1.00 18.49 ? 28 VAL B CG2 1 +ATOM 3100 N N . LEU B 1 29 ? 7.757 21.280 45.748 1.00 19.93 ? 29 LEU B N 1 +ATOM 3101 C CA . LEU B 1 29 ? 7.761 21.518 44.322 1.00 24.25 ? 29 LEU B CA 1 +ATOM 3102 C C . LEU B 1 29 ? 9.130 21.208 43.782 1.00 40.18 ? 29 LEU B C 1 +ATOM 3103 O O . LEU B 1 29 ? 10.118 21.588 44.396 1.00 29.72 ? 29 LEU B O 1 +ATOM 3104 C CB . LEU B 1 29 ? 7.397 22.954 43.956 1.00 26.25 ? 29 LEU B CB 1 +ATOM 3105 C CG . LEU B 1 29 ? 7.503 23.248 42.482 1.00 23.65 ? 29 LEU B CG 1 +ATOM 3106 C CD1 . LEU B 1 29 ? 6.382 22.607 41.677 1.00 27.83 ? 29 LEU B CD1 1 +ATOM 3107 C CD2 . LEU B 1 29 ? 7.417 24.734 42.323 1.00 11.93 ? 29 LEU B CD2 1 +ATOM 3108 N N . VAL B 1 30 ? 9.150 20.517 42.648 1.00 27.11 ? 30 VAL B N 1 +ATOM 3109 C CA . VAL B 1 30 ? 10.369 20.094 42.011 1.00 25.32 ? 30 VAL B CA 1 +ATOM 3110 C C . VAL B 1 30 ? 10.515 20.535 40.574 1.00 26.03 ? 30 VAL B C 1 +ATOM 3111 O O . VAL B 1 30 ? 9.618 20.461 39.728 1.00 35.41 ? 30 VAL B O 1 +ATOM 3112 C CB . VAL B 1 30 ? 10.424 18.565 41.953 1.00 19.19 ? 30 VAL B CB 1 +ATOM 3113 C CG1 . VAL B 1 30 ? 11.713 18.140 41.268 1.00 13.39 ? 30 VAL B CG1 1 +ATOM 3114 C CG2 . VAL B 1 30 ? 10.399 17.966 43.341 1.00 16.33 ? 30 VAL B CG2 1 +ATOM 3115 N N . ALA B 1 31 ? 11.719 20.907 40.240 1.00 21.58 ? 31 ALA B N 1 +ATOM 3116 C CA . ALA B 1 31 ? 12.051 21.257 38.875 1.00 19.92 ? 31 ALA B CA 1 +ATOM 3117 C C . ALA B 1 31 ? 13.506 20.924 38.601 1.00 30.40 ? 31 ALA B C 1 +ATOM 3118 O O . ALA B 1 31 ? 14.374 21.119 39.452 1.00 27.11 ? 31 ALA B O 1 +ATOM 3119 C CB . ALA B 1 31 ? 11.715 22.658 38.456 1.00 20.39 ? 31 ALA B CB 1 +ATOM 3120 N N . ASN B 1 32 ? 13.728 20.399 37.396 1.00 28.48 ? 32 ASN B N 1 +ATOM 3121 C CA . ASN B 1 32 ? 15.026 19.983 36.895 1.00 28.14 ? 32 ASN B CA 1 +ATOM 3122 C C . ASN B 1 32 ? 15.779 19.101 37.893 1.00 34.40 ? 32 ASN B C 1 +ATOM 3123 O O . ASN B 1 32 ? 17.011 19.231 38.058 1.00 22.85 ? 32 ASN B O 1 +ATOM 3124 C CB . ASN B 1 32 ? 15.919 21.145 36.403 1.00 22.41 ? 32 ASN B CB 1 +ATOM 3125 C CG . ASN B 1 32 ? 15.311 22.039 35.341 1.00 40.08 ? 32 ASN B CG 1 +ATOM 3126 O OD1 . ASN B 1 32 ? 15.126 23.249 35.519 1.00 35.13 ? 32 ASN B OD1 1 +ATOM 3127 N ND2 . ASN B 1 32 ? 15.046 21.434 34.189 1.00 34.68 ? 32 ASN B ND2 1 +ATOM 3128 N N . GLY B 1 33 ? 15.032 18.218 38.565 1.00 25.01 ? 33 GLY B N 1 +ATOM 3129 C CA . GLY B 1 33 ? 15.594 17.297 39.529 1.00 31.30 ? 33 GLY B CA 1 +ATOM 3130 C C . GLY B 1 33 ? 15.934 17.931 40.850 1.00 29.77 ? 33 GLY B C 1 +ATOM 3131 O O . GLY B 1 33 ? 16.441 17.236 41.715 1.00 23.33 ? 33 GLY B O 1 +ATOM 3132 N N . LYS B 1 34 ? 15.649 19.228 40.980 1.00 26.57 ? 34 LYS B N 1 +ATOM 3133 C CA . LYS B 1 34 ? 15.966 19.909 42.210 1.00 24.13 ? 34 LYS B CA 1 +ATOM 3134 C C . LYS B 1 34 ? 14.709 20.315 42.934 1.00 24.62 ? 34 LYS B C 1 +ATOM 3135 O O . LYS B 1 34 ? 13.697 20.545 42.295 1.00 20.55 ? 34 LYS B O 1 +ATOM 3136 C CB . LYS B 1 34 ? 16.744 21.179 41.963 1.00 32.85 ? 34 LYS B CB 1 +ATOM 3137 C CG . LYS B 1 34 ? 17.990 20.938 41.155 1.00 52.94 ? 34 LYS B CG 1 +ATOM 3138 C CD . LYS B 1 34 ? 19.149 20.437 41.995 1.00 100.00 ? 34 LYS B CD 1 +ATOM 3139 C CE . LYS B 1 34 ? 20.520 20.819 41.407 1.00 100.00 ? 34 LYS B CE 1 +ATOM 3140 N NZ . LYS B 1 34 ? 20.507 22.142 40.735 1.00 100.00 ? 34 LYS B NZ 1 +ATOM 3141 N N . ILE B 1 35 ? 14.804 20.403 44.258 1.00 28.24 ? 35 ILE B N 1 +ATOM 3142 C CA . ILE B 1 35 ? 13.695 20.859 45.055 1.00 25.29 ? 35 ILE B CA 1 +ATOM 3143 C C . ILE B 1 35 ? 13.777 22.372 44.995 1.00 35.10 ? 35 ILE B C 1 +ATOM 3144 O O . ILE B 1 35 ? 14.806 22.977 45.354 1.00 20.66 ? 35 ILE B O 1 +ATOM 3145 C CB . ILE B 1 35 ? 13.804 20.421 46.485 1.00 24.75 ? 35 ILE B CB 1 +ATOM 3146 C CG1 . ILE B 1 35 ? 13.882 18.900 46.567 1.00 27.85 ? 35 ILE B CG1 1 +ATOM 3147 C CG2 . ILE B 1 35 ? 12.650 21.019 47.283 1.00 16.15 ? 35 ILE B CG2 1 +ATOM 3148 C CD1 . ILE B 1 35 ? 14.394 18.386 47.909 1.00 21.79 ? 35 ILE B CD1 1 +ATOM 3149 N N . ILE B 1 36 ? 12.714 22.976 44.456 1.00 33.48 ? 36 ILE B N 1 +ATOM 3150 C CA . ILE B 1 36 ? 12.665 24.409 44.313 1.00 24.20 ? 36 ILE B CA 1 +ATOM 3151 C C . ILE B 1 36 ? 11.744 25.095 45.280 1.00 22.52 ? 36 ILE B C 1 +ATOM 3152 O O . ILE B 1 36 ? 11.794 26.291 45.332 1.00 32.53 ? 36 ILE B O 1 +ATOM 3153 C CB . ILE B 1 36 ? 12.384 24.906 42.915 1.00 29.28 ? 36 ILE B CB 1 +ATOM 3154 C CG1 . ILE B 1 36 ? 11.064 24.330 42.473 1.00 35.93 ? 36 ILE B CG1 1 +ATOM 3155 C CG2 . ILE B 1 36 ? 13.481 24.491 41.950 1.00 26.14 ? 36 ILE B CG2 1 +ATOM 3156 C CD1 . ILE B 1 36 ? 10.438 25.242 41.440 1.00 47.52 ? 36 ILE B CD1 1 +ATOM 3157 N N . ALA B 1 37 ? 10.960 24.350 46.050 1.00 26.30 ? 37 ALA B N 1 +ATOM 3158 C CA . ALA B 1 37 ? 10.053 24.923 47.019 1.00 29.82 ? 37 ALA B CA 1 +ATOM 3159 C C . ALA B 1 37 ? 9.472 23.881 47.960 1.00 42.02 ? 37 ALA B C 1 +ATOM 3160 O O . ALA B 1 37 ? 9.090 22.771 47.527 1.00 38.38 ? 37 ALA B O 1 +ATOM 3161 C CB . ALA B 1 37 ? 8.934 25.679 46.313 1.00 31.12 ? 37 ALA B CB 1 +ATOM 3162 N N . VAL B 1 38 ? 9.411 24.277 49.247 1.00 27.31 ? 38 VAL B N 1 +ATOM 3163 C CA . VAL B 1 38 ? 8.880 23.474 50.342 1.00 25.19 ? 38 VAL B CA 1 +ATOM 3164 C C . VAL B 1 38 ? 8.024 24.359 51.217 1.00 36.75 ? 38 VAL B C 1 +ATOM 3165 O O . VAL B 1 38 ? 8.505 25.270 51.897 1.00 39.39 ? 38 VAL B O 1 +ATOM 3166 C CB . VAL B 1 38 ? 9.910 22.811 51.219 1.00 27.45 ? 38 VAL B CB 1 +ATOM 3167 C CG1 . VAL B 1 38 ? 9.101 22.014 52.226 1.00 25.91 ? 38 VAL B CG1 1 +ATOM 3168 C CG2 . VAL B 1 38 ? 10.773 21.895 50.365 1.00 28.39 ? 38 VAL B CG2 1 +ATOM 3169 N N . ALA B 1 39 ? 6.726 24.117 51.168 1.00 39.69 ? 39 ALA B N 1 +ATOM 3170 C CA . ALA B 1 39 ? 5.794 24.943 51.897 1.00 35.62 ? 39 ALA B CA 1 +ATOM 3171 C C . ALA B 1 39 ? 4.407 24.335 51.935 1.00 45.72 ? 39 ALA B C 1 +ATOM 3172 O O . ALA B 1 39 ? 4.015 23.466 51.163 1.00 37.02 ? 39 ALA B O 1 +ATOM 3173 C CB . ALA B 1 39 ? 5.706 26.283 51.184 1.00 31.85 ? 39 ALA B CB 1 +ATOM 3174 N N . SER B 1 40 ? 3.621 24.817 52.855 1.00 57.78 ? 40 SER B N 1 +ATOM 3175 C CA . SER B 1 40 ? 2.277 24.315 52.927 1.00 55.55 ? 40 SER B CA 1 +ATOM 3176 C C . SER B 1 40 ? 1.451 25.029 51.865 1.00 44.15 ? 40 SER B C 1 +ATOM 3177 O O . SER B 1 40 ? 1.623 26.210 51.598 1.00 53.66 ? 40 SER B O 1 +ATOM 3178 C CB . SER B 1 40 ? 1.689 24.499 54.319 1.00 64.87 ? 40 SER B CB 1 +ATOM 3179 O OG . SER B 1 40 ? 0.882 23.388 54.624 1.00 84.34 ? 40 SER B OG 1 +ATOM 3180 N N . ASN B 1 41 ? 0.584 24.292 51.225 1.00 24.34 ? 41 ASN B N 1 +ATOM 3181 C CA . ASN B 1 41 ? -0.298 24.838 50.224 1.00 30.49 ? 41 ASN B CA 1 +ATOM 3182 C C . ASN B 1 41 ? 0.283 25.536 49.006 1.00 44.72 ? 41 ASN B C 1 +ATOM 3183 O O . ASN B 1 41 ? 0.117 26.743 48.764 1.00 59.52 ? 41 ASN B O 1 +ATOM 3184 C CB . ASN B 1 41 ? -1.481 25.622 50.855 1.00 39.45 ? 41 ASN B CB 1 +ATOM 3185 C CG . ASN B 1 41 ? -2.161 24.874 51.990 1.00 69.11 ? 41 ASN B CG 1 +ATOM 3186 O OD1 . ASN B 1 41 ? -2.750 23.807 51.790 1.00 100.00 ? 41 ASN B OD1 1 +ATOM 3187 N ND2 . ASN B 1 41 ? -2.050 25.446 53.198 1.00 100.00 ? 41 ASN B ND2 1 +ATOM 3188 N N . ILE B 1 42 ? 0.913 24.760 48.172 1.00 34.80 ? 42 ILE B N 1 +ATOM 3189 C CA . ILE B 1 42 ? 1.451 25.364 46.976 1.00 36.12 ? 42 ILE B CA 1 +ATOM 3190 C C . ILE B 1 42 ? 0.436 25.294 45.841 1.00 38.04 ? 42 ILE B C 1 +ATOM 3191 O O . ILE B 1 42 ? -0.188 24.262 45.598 1.00 45.55 ? 42 ILE B O 1 +ATOM 3192 C CB . ILE B 1 42 ? 2.779 24.703 46.608 1.00 35.95 ? 42 ILE B CB 1 +ATOM 3193 C CG1 . ILE B 1 42 ? 3.702 24.691 47.822 1.00 41.04 ? 42 ILE B CG1 1 +ATOM 3194 C CG2 . ILE B 1 42 ? 3.409 25.445 45.442 1.00 38.81 ? 42 ILE B CG2 1 +ATOM 3195 C CD1 . ILE B 1 42 ? 5.112 24.165 47.548 1.00 34.51 ? 42 ILE B CD1 1 +ATOM 3196 N N . PRO B 1 43 ? 0.296 26.399 45.136 1.00 37.23 ? 43 PRO B N 1 +ATOM 3197 C CA . PRO B 1 43 ? -0.626 26.522 44.024 1.00 38.35 ? 43 PRO B CA 1 +ATOM 3198 C C . PRO B 1 43 ? -0.348 25.603 42.861 1.00 42.20 ? 43 PRO B C 1 +ATOM 3199 O O . PRO B 1 43 ? 0.570 25.829 42.094 1.00 42.32 ? 43 PRO B O 1 +ATOM 3200 C CB . PRO B 1 43 ? -0.554 27.975 43.556 1.00 46.27 ? 43 PRO B CB 1 +ATOM 3201 C CG . PRO B 1 43 ? 0.365 28.716 44.514 1.00 57.46 ? 43 PRO B CG 1 +ATOM 3202 C CD . PRO B 1 43 ? 0.800 27.719 45.589 1.00 48.20 ? 43 PRO B CD 1 +ATOM 3203 N N . SER B 1 44 ? -1.205 24.609 42.696 1.00 46.80 ? 44 SER B N 1 +ATOM 3204 C CA . SER B 1 44 ? -1.133 23.628 41.625 1.00 44.29 ? 44 SER B CA 1 +ATOM 3205 C C . SER B 1 44 ? -0.955 24.246 40.247 1.00 51.02 ? 44 SER B C 1 +ATOM 3206 O O . SER B 1 44 ? -0.699 23.552 39.258 1.00 54.94 ? 44 SER B O 1 +ATOM 3207 C CB . SER B 1 44 ? -2.385 22.767 41.620 1.00 47.91 ? 44 SER B CB 1 +ATOM 3208 O OG . SER B 1 44 ? -3.271 23.199 42.642 1.00 96.77 ? 44 SER B OG 1 +ATOM 3209 N N . ASP B 1 45 ? -1.131 25.558 40.187 1.00 46.25 ? 45 ASP B N 1 +ATOM 3210 C CA . ASP B 1 45 ? -1.008 26.274 38.930 1.00 54.87 ? 45 ASP B CA 1 +ATOM 3211 C C . ASP B 1 45 ? 0.178 27.219 38.931 1.00 49.65 ? 45 ASP B C 1 +ATOM 3212 O O . ASP B 1 45 ? 0.473 27.855 37.935 1.00 50.05 ? 45 ASP B O 1 +ATOM 3213 C CB . ASP B 1 45 ? -2.299 27.073 38.662 1.00 60.70 ? 45 ASP B CB 1 +ATOM 3214 C CG . ASP B 1 45 ? -2.553 28.134 39.704 1.00 75.93 ? 45 ASP B CG 1 +ATOM 3215 O OD1 . ASP B 1 45 ? -1.925 28.225 40.746 1.00 79.96 ? 45 ASP B OD1 1 +ATOM 3216 O OD2 . ASP B 1 45 ? -3.504 28.965 39.347 1.00 100.00 ? 45 ASP B OD2 1 +ATOM 3217 N N . ILE B 1 46 ? 0.853 27.332 40.069 1.00 36.39 ? 46 ILE B N 1 +ATOM 3218 C CA . ILE B 1 46 ? 2.001 28.204 40.198 1.00 32.56 ? 46 ILE B CA 1 +ATOM 3219 C C . ILE B 1 46 ? 2.998 28.124 39.025 1.00 48.51 ? 46 ILE B C 1 +ATOM 3220 O O . ILE B 1 46 ? 3.665 29.101 38.719 1.00 46.84 ? 46 ILE B O 1 +ATOM 3221 C CB . ILE B 1 46 ? 2.633 27.988 41.561 1.00 41.23 ? 46 ILE B CB 1 +ATOM 3222 C CG1 . ILE B 1 46 ? 3.663 29.072 41.841 1.00 47.07 ? 46 ILE B CG1 1 +ATOM 3223 C CG2 . ILE B 1 46 ? 3.226 26.588 41.694 1.00 28.01 ? 46 ILE B CG2 1 +ATOM 3224 C CD1 . ILE B 1 46 ? 3.141 30.489 41.611 1.00 26.51 ? 46 ILE B CD1 1 +ATOM 3225 N N . VAL B 1 47 ? 3.083 26.964 38.357 1.00 29.81 ? 47 VAL B N 1 +ATOM 3226 C CA . VAL B 1 47 ? 3.950 26.753 37.224 1.00 26.86 ? 47 VAL B CA 1 +ATOM 3227 C C . VAL B 1 47 ? 3.276 25.890 36.177 1.00 45.92 ? 47 VAL B C 1 +ATOM 3228 O O . VAL B 1 47 ? 2.533 24.957 36.483 1.00 50.62 ? 47 VAL B O 1 +ATOM 3229 C CB . VAL B 1 47 ? 5.316 26.149 37.530 1.00 31.55 ? 47 VAL B CB 1 +ATOM 3230 C CG1 . VAL B 1 47 ? 6.165 27.060 38.426 1.00 27.82 ? 47 VAL B CG1 1 +ATOM 3231 C CG2 . VAL B 1 47 ? 5.166 24.761 38.137 1.00 35.01 ? 47 VAL B CG2 1 +ATOM 3232 N N . PRO B 1 48 ? 3.564 26.246 34.927 1.00 43.75 ? 48 PRO B N 1 +ATOM 3233 C CA . PRO B 1 48 ? 3.061 25.597 33.715 1.00 40.06 ? 48 PRO B CA 1 +ATOM 3234 C C . PRO B 1 48 ? 3.532 24.161 33.537 1.00 45.79 ? 48 PRO B C 1 +ATOM 3235 O O . PRO B 1 48 ? 4.624 23.811 33.978 1.00 53.45 ? 48 PRO B O 1 +ATOM 3236 C CB . PRO B 1 48 ? 3.686 26.404 32.583 1.00 36.36 ? 48 PRO B CB 1 +ATOM 3237 C CG . PRO B 1 48 ? 4.837 27.187 33.192 1.00 33.84 ? 48 PRO B CG 1 +ATOM 3238 C CD . PRO B 1 48 ? 4.489 27.374 34.649 1.00 26.64 ? 48 PRO B CD 1 +ATOM 3239 N N . ASN B 1 49 ? 2.725 23.341 32.865 1.00 46.20 ? 49 ASN B N 1 +ATOM 3240 C CA . ASN B 1 49 ? 3.033 21.934 32.622 1.00 46.96 ? 49 ASN B CA 1 +ATOM 3241 C C . ASN B 1 49 ? 3.481 21.173 33.852 1.00 51.46 ? 49 ASN B C 1 +ATOM 3242 O O . ASN B 1 49 ? 4.441 20.376 33.770 1.00 47.18 ? 49 ASN B O 1 +ATOM 3243 C CB . ASN B 1 49 ? 4.131 21.717 31.578 1.00 49.61 ? 49 ASN B CB 1 +ATOM 3244 C CG . ASN B 1 49 ? 3.637 21.952 30.182 1.00 76.06 ? 49 ASN B CG 1 +ATOM 3245 O OD1 . ASN B 1 49 ? 4.160 22.821 29.467 1.00 48.17 ? 49 ASN B OD1 1 +ATOM 3246 N ND2 . ASN B 1 49 ? 2.621 21.174 29.813 1.00 94.19 ? 49 ASN B ND2 1 +ATOM 3247 N N . CYS B 1 50 ? 2.802 21.435 34.976 1.00 40.55 ? 50 CYS B N 1 +ATOM 3248 C CA . CYS B 1 50 ? 3.122 20.791 36.227 1.00 40.43 ? 50 CYS B CA 1 +ATOM 3249 C C . CYS B 1 50 ? 2.437 19.465 36.437 1.00 52.30 ? 50 CYS B C 1 +ATOM 3250 O O . CYS B 1 50 ? 1.224 19.358 36.250 1.00 72.03 ? 50 CYS B O 1 +ATOM 3251 C CB . CYS B 1 50 ? 2.843 21.690 37.437 1.00 39.13 ? 50 CYS B CB 1 +ATOM 3252 S SG . CYS B 1 50 ? 3.640 21.045 38.917 1.00 41.37 ? 50 CYS B SG 1 +ATOM 3253 N N . THR B 1 51 ? 3.214 18.470 36.870 1.00 40.56 ? 51 THR B N 1 +ATOM 3254 C CA . THR B 1 51 ? 2.641 17.174 37.186 1.00 29.51 ? 51 THR B CA 1 +ATOM 3255 C C . THR B 1 51 ? 2.314 17.196 38.645 1.00 30.08 ? 51 THR B C 1 +ATOM 3256 O O . THR B 1 51 ? 3.208 17.324 39.474 1.00 52.82 ? 51 THR B O 1 +ATOM 3257 C CB . THR B 1 51 ? 3.578 16.021 36.916 1.00 50.72 ? 51 THR B CB 1 +ATOM 3258 O OG1 . THR B 1 51 ? 3.567 15.799 35.519 1.00 72.61 ? 51 THR B OG1 1 +ATOM 3259 C CG2 . THR B 1 51 ? 3.058 14.804 37.690 1.00 29.59 ? 51 THR B CG2 1 +ATOM 3260 N N . VAL B 1 52 ? 1.044 17.139 38.947 1.00 36.09 ? 52 VAL B N 1 +ATOM 3261 C CA . VAL B 1 52 ? 0.694 17.200 40.342 1.00 36.13 ? 52 VAL B CA 1 +ATOM 3262 C C . VAL B 1 52 ? 0.500 15.833 40.919 1.00 21.72 ? 52 VAL B C 1 +ATOM 3263 O O . VAL B 1 52 ? -0.122 15.031 40.263 1.00 32.62 ? 52 VAL B O 1 +ATOM 3264 C CB . VAL B 1 52 ? -0.557 18.025 40.552 1.00 35.97 ? 52 VAL B CB 1 +ATOM 3265 C CG1 . VAL B 1 52 ? -1.030 17.788 41.991 1.00 41.69 ? 52 VAL B CG1 1 +ATOM 3266 C CG2 . VAL B 1 52 ? -0.244 19.500 40.288 1.00 33.92 ? 52 VAL B CG2 1 +ATOM 3267 N N . VAL B 1 53 ? 0.995 15.583 42.139 1.00 21.70 ? 53 VAL B N 1 +ATOM 3268 C CA . VAL B 1 53 ? 0.859 14.277 42.771 1.00 23.50 ? 53 VAL B CA 1 +ATOM 3269 C C . VAL B 1 53 ? 0.235 14.300 44.170 1.00 44.87 ? 53 VAL B C 1 +ATOM 3270 O O . VAL B 1 53 ? 0.785 14.836 45.144 1.00 48.75 ? 53 VAL B O 1 +ATOM 3271 C CB . VAL B 1 53 ? 2.220 13.596 42.729 1.00 32.60 ? 53 VAL B CB 1 +ATOM 3272 C CG1 . VAL B 1 53 ? 2.169 12.181 43.304 1.00 35.72 ? 53 VAL B CG1 1 +ATOM 3273 C CG2 . VAL B 1 53 ? 2.634 13.546 41.269 1.00 36.14 ? 53 VAL B CG2 1 +ATOM 3274 N N . ASP B 1 54 ? -0.938 13.708 44.287 1.00 43.06 ? 54 ASP B N 1 +ATOM 3275 C CA . ASP B 1 54 ? -1.534 13.728 45.591 1.00 40.24 ? 54 ASP B CA 1 +ATOM 3276 C C . ASP B 1 54 ? -1.006 12.652 46.463 1.00 27.05 ? 54 ASP B C 1 +ATOM 3277 O O . ASP B 1 54 ? -1.293 11.467 46.255 1.00 35.74 ? 54 ASP B O 1 +ATOM 3278 C CB . ASP B 1 54 ? -3.046 13.585 45.575 1.00 54.88 ? 54 ASP B CB 1 +ATOM 3279 C CG . ASP B 1 54 ? -3.530 13.579 46.995 1.00 57.79 ? 54 ASP B CG 1 +ATOM 3280 O OD1 . ASP B 1 54 ? -3.153 14.404 47.819 1.00 76.89 ? 54 ASP B OD1 1 +ATOM 3281 O OD2 . ASP B 1 54 ? -4.352 12.598 47.251 1.00 70.10 ? 54 ASP B OD2 1 +ATOM 3282 N N . LEU B 1 55 ? -0.274 13.082 47.450 1.00 24.27 ? 55 LEU B N 1 +ATOM 3283 C CA . LEU B 1 55 ? 0.317 12.192 48.415 1.00 32.70 ? 55 LEU B CA 1 +ATOM 3284 C C . LEU B 1 55 ? -0.382 12.280 49.739 1.00 40.64 ? 55 LEU B C 1 +ATOM 3285 O O . LEU B 1 55 ? 0.190 12.027 50.811 1.00 56.10 ? 55 LEU B O 1 +ATOM 3286 C CB . LEU B 1 55 ? 1.769 12.619 48.606 1.00 39.43 ? 55 LEU B CB 1 +ATOM 3287 C CG . LEU B 1 55 ? 2.422 12.700 47.245 1.00 42.62 ? 55 LEU B CG 1 +ATOM 3288 C CD1 . LEU B 1 55 ? 3.871 13.108 47.422 1.00 35.67 ? 55 LEU B CD1 1 +ATOM 3289 C CD2 . LEU B 1 55 ? 2.321 11.323 46.604 1.00 49.46 ? 55 LEU B CD2 1 +ATOM 3290 N N . SER B 1 56 ? -1.625 12.692 49.652 1.00 24.15 ? 56 SER B N 1 +ATOM 3291 C CA . SER B 1 56 ? -2.378 12.843 50.895 1.00 32.91 ? 56 SER B CA 1 +ATOM 3292 C C . SER B 1 56 ? -2.493 11.509 51.588 1.00 22.90 ? 56 SER B C 1 +ATOM 3293 O O . SER B 1 56 ? -2.710 10.469 50.961 1.00 31.64 ? 56 SER B O 1 +ATOM 3294 C CB . SER B 1 56 ? -3.766 13.409 50.635 1.00 36.96 ? 56 SER B CB 1 +ATOM 3295 O OG . SER B 1 56 ? -4.465 12.401 49.926 1.00 47.14 ? 56 SER B OG 1 +ATOM 3296 N N . GLY B 1 57 ? -2.330 11.540 52.885 1.00 39.61 ? 57 GLY B N 1 +ATOM 3297 C CA . GLY B 1 57 ? -2.410 10.293 53.609 1.00 32.15 ? 57 GLY B CA 1 +ATOM 3298 C C . GLY B 1 57 ? -1.100 9.535 53.571 1.00 43.20 ? 57 GLY B C 1 +ATOM 3299 O O . GLY B 1 57 ? -1.045 8.429 54.088 1.00 40.58 ? 57 GLY B O 1 +ATOM 3300 N N . GLN B 1 58 ? -0.068 10.151 52.971 1.00 41.42 ? 58 GLN B N 1 +ATOM 3301 C CA . GLN B 1 58 ? 1.233 9.538 52.868 1.00 40.14 ? 58 GLN B CA 1 +ATOM 3302 C C . GLN B 1 58 ? 2.372 10.292 53.480 1.00 25.49 ? 58 GLN B C 1 +ATOM 3303 O O . GLN B 1 58 ? 2.264 11.446 53.796 1.00 34.72 ? 58 GLN B O 1 +ATOM 3304 C CB . GLN B 1 58 ? 1.539 9.117 51.443 1.00 37.16 ? 58 GLN B CB 1 +ATOM 3305 C CG . GLN B 1 58 ? 1.131 7.658 51.286 1.00 70.97 ? 58 GLN B CG 1 +ATOM 3306 C CD . GLN B 1 58 ? -0.064 7.703 50.423 1.00 47.45 ? 58 GLN B CD 1 +ATOM 3307 O OE1 . GLN B 1 58 ? -0.441 8.819 50.028 1.00 69.79 ? 58 GLN B OE1 1 +ATOM 3308 N NE2 . GLN B 1 58 ? -0.649 6.550 50.135 1.00 100.00 ? 58 GLN B NE2 1 +ATOM 3309 N N . ILE B 1 59 ? 3.462 9.581 53.666 1.00 30.86 ? 59 ILE B N 1 +ATOM 3310 C CA . ILE B 1 59 ? 4.651 10.136 54.275 1.00 26.88 ? 59 ILE B CA 1 +ATOM 3311 C C . ILE B 1 59 ? 5.638 10.502 53.171 1.00 27.90 ? 59 ILE B C 1 +ATOM 3312 O O . ILE B 1 59 ? 5.757 9.822 52.157 1.00 26.52 ? 59 ILE B O 1 +ATOM 3313 C CB . ILE B 1 59 ? 5.267 9.086 55.192 1.00 33.00 ? 59 ILE B CB 1 +ATOM 3314 C CG1 . ILE B 1 59 ? 4.661 9.073 56.573 1.00 30.02 ? 59 ILE B CG1 1 +ATOM 3315 C CG2 . ILE B 1 59 ? 6.772 9.227 55.293 1.00 34.98 ? 59 ILE B CG2 1 +ATOM 3316 C CD1 . ILE B 1 59 ? 5.075 7.821 57.327 1.00 70.80 ? 59 ILE B CD1 1 +ATOM 3317 N N . LEU B 1 60 ? 6.351 11.595 53.334 1.00 29.16 ? 60 LEU B N 1 +ATOM 3318 C CA . LEU B 1 60 ? 7.318 11.941 52.353 1.00 17.46 ? 60 LEU B CA 1 +ATOM 3319 C C . LEU B 1 60 ? 8.613 12.127 53.094 1.00 32.42 ? 60 LEU B C 1 +ATOM 3320 O O . LEU B 1 60 ? 8.598 12.740 54.145 1.00 24.45 ? 60 LEU B O 1 +ATOM 3321 C CB . LEU B 1 60 ? 6.937 13.177 51.561 1.00 22.52 ? 60 LEU B CB 1 +ATOM 3322 C CG . LEU B 1 60 ? 7.897 13.504 50.413 1.00 40.54 ? 60 LEU B CG 1 +ATOM 3323 C CD1 . LEU B 1 60 ? 7.879 12.399 49.360 1.00 45.00 ? 60 LEU B CD1 1 +ATOM 3324 C CD2 . LEU B 1 60 ? 7.510 14.833 49.759 1.00 14.43 ? 60 LEU B CD2 1 +ATOM 3325 N N . CYS B 1 61 ? 9.689 11.565 52.573 1.00 34.75 ? 61 CYS B N 1 +ATOM 3326 C CA . CYS B 1 61 ? 10.966 11.670 53.252 1.00 33.97 ? 61 CYS B CA 1 +ATOM 3327 C C . CYS B 1 61 ? 12.145 11.520 52.291 1.00 25.56 ? 61 CYS B C 1 +ATOM 3328 O O . CYS B 1 61 ? 11.968 11.065 51.175 1.00 31.48 ? 61 CYS B O 1 +ATOM 3329 C CB . CYS B 1 61 ? 11.042 10.703 54.439 1.00 30.89 ? 61 CYS B CB 1 +ATOM 3330 S SG . CYS B 1 61 ? 11.484 9.039 53.919 1.00 37.76 ? 61 CYS B SG 1 +ATOM 3331 N N . PRO B 1 62 ? 13.345 11.908 52.724 1.00 29.54 ? 62 PRO B N 1 +ATOM 3332 C CA . PRO B 1 62 ? 14.535 11.817 51.878 1.00 19.79 ? 62 PRO B CA 1 +ATOM 3333 C C . PRO B 1 62 ? 14.946 10.394 51.517 1.00 20.82 ? 62 PRO B C 1 +ATOM 3334 O O . PRO B 1 62 ? 14.736 9.439 52.257 1.00 26.17 ? 62 PRO B O 1 +ATOM 3335 C CB . PRO B 1 62 ? 15.674 12.434 52.709 1.00 13.50 ? 62 PRO B CB 1 +ATOM 3336 C CG . PRO B 1 62 ? 15.065 12.977 53.981 1.00 23.92 ? 62 PRO B CG 1 +ATOM 3337 C CD . PRO B 1 62 ? 13.729 12.258 54.130 1.00 25.38 ? 62 PRO B CD 1 +ATOM 3338 N N . GLY B 1 63 ? 15.575 10.244 50.366 1.00 19.55 ? 63 GLY B N 1 +ATOM 3339 C CA . GLY B 1 63 ? 16.077 8.932 49.964 1.00 15.30 ? 63 GLY B CA 1 +ATOM 3340 C C . GLY B 1 63 ? 17.226 8.413 50.844 1.00 17.37 ? 63 GLY B C 1 +ATOM 3341 O O . GLY B 1 63 ? 17.991 9.147 51.462 1.00 20.00 ? 63 GLY B O 1 +ATOM 3342 N N . PHE B 1 64 ? 17.396 7.106 50.954 1.00 28.83 ? 64 PHE B N 1 +ATOM 3343 C CA . PHE B 1 64 ? 18.488 6.668 51.756 1.00 21.54 ? 64 PHE B CA 1 +ATOM 3344 C C . PHE B 1 64 ? 19.776 6.768 51.000 1.00 21.71 ? 64 PHE B C 1 +ATOM 3345 O O . PHE B 1 64 ? 19.827 6.642 49.793 1.00 20.52 ? 64 PHE B O 1 +ATOM 3346 C CB . PHE B 1 64 ? 18.342 5.202 52.148 1.00 27.32 ? 64 PHE B CB 1 +ATOM 3347 C CG . PHE B 1 64 ? 17.051 4.917 52.881 1.00 31.51 ? 64 PHE B CG 1 +ATOM 3348 C CD1 . PHE B 1 64 ? 16.406 5.904 53.624 1.00 39.39 ? 64 PHE B CD1 1 +ATOM 3349 C CD2 . PHE B 1 64 ? 16.460 3.656 52.825 1.00 28.60 ? 64 PHE B CD2 1 +ATOM 3350 C CE1 . PHE B 1 64 ? 15.207 5.623 54.280 1.00 34.48 ? 64 PHE B CE1 1 +ATOM 3351 C CE2 . PHE B 1 64 ? 15.257 3.358 53.464 1.00 24.95 ? 64 PHE B CE2 1 +ATOM 3352 C CZ . PHE B 1 64 ? 14.626 4.355 54.201 1.00 29.84 ? 64 PHE B CZ 1 +ATOM 3353 N N . ILE B 1 65 ? 20.819 6.977 51.767 1.00 20.52 ? 65 ILE B N 1 +ATOM 3354 C CA . ILE B 1 65 ? 22.182 7.002 51.296 1.00 21.13 ? 65 ILE B CA 1 +ATOM 3355 C C . ILE B 1 65 ? 22.865 5.756 51.931 1.00 24.53 ? 65 ILE B C 1 +ATOM 3356 O O . ILE B 1 65 ? 22.986 5.676 53.163 1.00 16.63 ? 65 ILE B O 1 +ATOM 3357 C CB . ILE B 1 65 ? 22.859 8.289 51.756 1.00 24.29 ? 65 ILE B CB 1 +ATOM 3358 C CG1 . ILE B 1 65 ? 21.972 9.462 51.358 1.00 29.25 ? 65 ILE B CG1 1 +ATOM 3359 C CG2 . ILE B 1 65 ? 24.318 8.419 51.222 1.00 20.58 ? 65 ILE B CG2 1 +ATOM 3360 C CD1 . ILE B 1 65 ? 22.229 10.717 52.187 1.00 21.47 ? 65 ILE B CD1 1 +ATOM 3361 N N . ASP B 1 66 ? 23.253 4.737 51.129 1.00 22.59 ? 66 ASP B N 1 +ATOM 3362 C CA . ASP B 1 66 ? 23.914 3.521 51.647 1.00 12.43 ? 66 ASP B CA 1 +ATOM 3363 C C . ASP B 1 66 ? 25.382 3.639 51.311 1.00 14.86 ? 66 ASP B C 1 +ATOM 3364 O O . ASP B 1 66 ? 25.787 3.594 50.138 1.00 21.25 ? 66 ASP B O 1 +ATOM 3365 C CB . ASP B 1 66 ? 23.374 2.286 50.926 1.00 19.10 ? 66 ASP B CB 1 +ATOM 3366 C CG . ASP B 1 66 ? 23.775 1.063 51.651 1.00 22.71 ? 66 ASP B CG 1 +ATOM 3367 O OD1 . ASP B 1 66 ? 24.612 1.028 52.536 1.00 33.62 ? 66 ASP B OD1 1 +ATOM 3368 O OD2 . ASP B 1 66 ? 23.091 0.052 51.226 1.00 25.29 ? 66 ASP B OD2 1 +ATOM 3369 N N . GLN B 1 67 ? 26.168 3.835 52.329 1.00 13.55 ? 67 GLN B N 1 +ATOM 3370 C CA . GLN B 1 67 ? 27.581 4.066 52.139 1.00 10.22 ? 67 GLN B CA 1 +ATOM 3371 C C . GLN B 1 67 ? 28.440 2.841 52.174 1.00 26.56 ? 67 GLN B C 1 +ATOM 3372 O O . GLN B 1 67 ? 29.671 2.969 52.134 1.00 25.63 ? 67 GLN B O 1 +ATOM 3373 C CB . GLN B 1 67 ? 28.058 5.156 53.179 1.00 9.48 ? 67 GLN B CB 1 +ATOM 3374 C CG . GLN B 1 67 ? 28.137 4.647 54.616 1.00 26.21 ? 67 GLN B CG 1 +ATOM 3375 C CD . GLN B 1 67 ? 28.944 5.553 55.518 1.00 29.37 ? 67 GLN B CD 1 +ATOM 3376 O OE1 . GLN B 1 67 ? 29.913 6.221 55.100 1.00 16.58 ? 67 GLN B OE1 1 +ATOM 3377 N NE2 . GLN B 1 67 ? 28.547 5.553 56.772 1.00 24.83 ? 67 GLN B NE2 1 +ATOM 3378 N N . HIS B 1 68 ? 27.801 1.666 52.226 1.00 16.99 ? 68 HIS B N 1 +ATOM 3379 C CA . HIS B 1 68 ? 28.594 0.444 52.235 1.00 23.34 ? 68 HIS B CA 1 +ATOM 3380 C C . HIS B 1 68 ? 28.022 -0.581 51.281 1.00 31.25 ? 68 HIS B C 1 +ATOM 3381 O O . HIS B 1 68 ? 27.311 -1.471 51.687 1.00 29.20 ? 68 HIS B O 1 +ATOM 3382 C CB . HIS B 1 68 ? 28.658 -0.170 53.637 1.00 22.21 ? 68 HIS B CB 1 +ATOM 3383 C CG . HIS B 1 68 ? 29.843 -1.058 53.844 1.00 22.86 ? 68 HIS B CG 1 +ATOM 3384 N ND1 . HIS B 1 68 ? 30.878 -0.686 54.666 1.00 26.59 ? 68 HIS B ND1 1 +ATOM 3385 C CD2 . HIS B 1 68 ? 30.125 -2.288 53.356 1.00 19.57 ? 68 HIS B CD2 1 +ATOM 3386 C CE1 . HIS B 1 68 ? 31.776 -1.659 54.655 1.00 25.66 ? 68 HIS B CE1 1 +ATOM 3387 N NE2 . HIS B 1 68 ? 31.359 -2.623 53.855 1.00 21.37 ? 68 HIS B NE2 1 +ATOM 3388 N N . VAL B 1 69 ? 28.331 -0.485 50.011 1.00 27.24 ? 69 VAL B N 1 +ATOM 3389 C CA . VAL B 1 69 ? 27.797 -1.448 49.073 1.00 24.35 ? 69 VAL B CA 1 +ATOM 3390 C C . VAL B 1 69 ? 28.804 -2.042 48.097 1.00 25.11 ? 69 VAL B C 1 +ATOM 3391 O O . VAL B 1 69 ? 29.550 -1.320 47.429 1.00 9.42 ? 69 VAL B O 1 +ATOM 3392 C CB . VAL B 1 69 ? 26.704 -0.786 48.248 1.00 27.31 ? 69 VAL B CB 1 +ATOM 3393 C CG1 . VAL B 1 69 ? 26.062 -1.846 47.349 1.00 20.34 ? 69 VAL B CG1 1 +ATOM 3394 C CG2 . VAL B 1 69 ? 25.662 -0.166 49.195 1.00 21.82 ? 69 VAL B CG2 1 +ATOM 3395 N N . HIS B 1 70 ? 28.788 -3.369 47.992 1.00 24.59 ? 70 HIS B N 1 +ATOM 3396 C CA . HIS B 1 70 ? 29.670 -4.017 47.057 1.00 19.81 ? 70 HIS B CA 1 +ATOM 3397 C C . HIS B 1 70 ? 29.070 -3.960 45.668 1.00 13.42 ? 70 HIS B C 1 +ATOM 3398 O O . HIS B 1 70 ? 28.522 -4.927 45.122 1.00 19.43 ? 70 HIS B O 1 +ATOM 3399 C CB . HIS B 1 70 ? 29.940 -5.456 47.516 1.00 18.70 ? 70 HIS B CB 1 +ATOM 3400 C CG . HIS B 1 70 ? 30.656 -5.361 48.815 1.00 22.31 ? 70 HIS B CG 1 +ATOM 3401 N ND1 . HIS B 1 70 ? 32.036 -5.492 48.893 1.00 19.16 ? 70 HIS B ND1 1 +ATOM 3402 C CD2 . HIS B 1 70 ? 30.175 -5.136 50.034 1.00 30.46 ? 70 HIS B CD2 1 +ATOM 3403 C CE1 . HIS B 1 70 ? 32.367 -5.391 50.155 1.00 21.07 ? 70 HIS B CE1 1 +ATOM 3404 N NE2 . HIS B 1 70 ? 31.267 -5.202 50.854 1.00 27.77 ? 70 HIS B NE2 1 +ATOM 3405 N N . LEU B 1 71 ? 29.160 -2.787 45.091 1.00 17.16 ? 71 LEU B N 1 +ATOM 3406 C CA . LEU B 1 71 ? 28.591 -2.569 43.755 1.00 23.23 ? 71 LEU B CA 1 +ATOM 3407 C C . LEU B 1 71 ? 28.887 -3.618 42.682 1.00 24.19 ? 71 LEU B C 1 +ATOM 3408 O O . LEU B 1 71 ? 27.991 -4.118 42.043 1.00 20.50 ? 71 LEU B O 1 +ATOM 3409 C CB . LEU B 1 71 ? 28.854 -1.144 43.223 1.00 19.73 ? 71 LEU B CB 1 +ATOM 3410 C CG . LEU B 1 71 ? 28.241 -0.061 44.119 1.00 26.95 ? 71 LEU B CG 1 +ATOM 3411 C CD1 . LEU B 1 71 ? 28.727 1.280 43.643 1.00 26.16 ? 71 LEU B CD1 1 +ATOM 3412 C CD2 . LEU B 1 71 ? 26.718 -0.058 44.027 1.00 23.69 ? 71 LEU B CD2 1 +ATOM 3413 N N . ILE B 1 72 ? 30.166 -3.936 42.480 1.00 26.46 ? 72 ILE B N 1 +ATOM 3414 C CA . ILE B 1 72 ? 30.577 -4.876 41.474 1.00 13.32 ? 72 ILE B CA 1 +ATOM 3415 C C . ILE B 1 72 ? 30.502 -6.332 41.890 1.00 24.50 ? 72 ILE B C 1 +ATOM 3416 O O . ILE B 1 72 ? 30.826 -7.205 41.094 1.00 22.31 ? 72 ILE B O 1 +ATOM 3417 C CB . ILE B 1 72 ? 31.884 -4.508 40.766 1.00 17.48 ? 72 ILE B CB 1 +ATOM 3418 C CG1 . ILE B 1 72 ? 33.075 -4.409 41.727 1.00 18.03 ? 72 ILE B CG1 1 +ATOM 3419 C CG2 . ILE B 1 72 ? 31.689 -3.167 40.069 1.00 1.00 ? 72 ILE B CG2 1 +ATOM 3420 C CD1 . ILE B 1 72 ? 34.404 -4.875 41.119 1.00 14.50 ? 72 ILE B CD1 1 +ATOM 3421 N N . GLY B 1 73 ? 30.007 -6.592 43.099 1.00 23.58 ? 73 GLY B N 1 +ATOM 3422 C CA . GLY B 1 73 ? 29.968 -7.933 43.642 1.00 24.66 ? 73 GLY B CA 1 +ATOM 3423 C C . GLY B 1 73 ? 31.145 -8.077 44.625 1.00 29.54 ? 73 GLY B C 1 +ATOM 3424 O O . GLY B 1 73 ? 32.012 -7.196 44.724 1.00 15.19 ? 73 GLY B O 1 +ATOM 3425 N N . GLY B 1 74 ? 31.182 -9.145 45.399 1.00 24.19 ? 74 GLY B N 1 +ATOM 3426 C CA . GLY B 1 74 ? 32.256 -9.314 46.349 1.00 22.88 ? 74 GLY B CA 1 +ATOM 3427 C C . GLY B 1 74 ? 32.474 -10.783 46.596 1.00 31.55 ? 74 GLY B C 1 +ATOM 3428 O O . GLY B 1 74 ? 32.469 -11.541 45.638 1.00 23.71 ? 74 GLY B O 1 +ATOM 3429 N N . GLY B 1 75 ? 32.661 -11.125 47.879 1.00 13.11 ? 75 GLY B N 1 +ATOM 3430 C CA . GLY B 1 75 ? 32.855 -12.496 48.299 1.00 21.66 ? 75 GLY B CA 1 +ATOM 3431 C C . GLY B 1 75 ? 34.162 -13.082 47.775 1.00 30.60 ? 75 GLY B C 1 +ATOM 3432 O O . GLY B 1 75 ? 35.140 -12.345 47.543 1.00 29.03 ? 75 GLY B O 1 +ATOM 3433 N N . GLY B 1 76 ? 34.148 -14.402 47.610 1.00 27.94 ? 76 GLY B N 1 +ATOM 3434 C CA . GLY B 1 76 ? 35.292 -15.158 47.133 1.00 25.55 ? 76 GLY B CA 1 +ATOM 3435 C C . GLY B 1 76 ? 36.043 -15.818 48.272 1.00 26.87 ? 76 GLY B C 1 +ATOM 3436 O O . GLY B 1 76 ? 36.987 -16.563 47.995 1.00 30.62 ? 76 GLY B O 1 +ATOM 3437 N N . GLU B 1 77 ? 35.611 -15.585 49.541 1.00 21.27 ? 77 GLU B N 1 +ATOM 3438 C CA . GLU B 1 77 ? 36.311 -16.190 50.702 1.00 21.89 ? 77 GLU B CA 1 +ATOM 3439 C C . GLU B 1 77 ? 36.434 -17.714 50.698 1.00 22.95 ? 77 GLU B C 1 +ATOM 3440 O O . GLU B 1 77 ? 37.336 -18.308 51.278 1.00 23.97 ? 77 GLU B O 1 +ATOM 3441 C CB . GLU B 1 77 ? 35.772 -15.708 52.050 1.00 22.45 ? 77 GLU B CB 1 +ATOM 3442 C CG . GLU B 1 77 ? 36.066 -14.223 52.305 1.00 29.26 ? 77 GLU B CG 1 +ATOM 3443 C CD . GLU B 1 77 ? 34.940 -13.309 51.961 1.00 84.31 ? 77 GLU B CD 1 +ATOM 3444 O OE1 . GLU B 1 77 ? 34.021 -13.613 51.233 1.00 23.72 ? 77 GLU B OE1 1 +ATOM 3445 O OE2 . GLU B 1 77 ? 35.105 -12.162 52.533 1.00 25.92 ? 77 GLU B OE2 1 +ATOM 3446 N N . ALA B 1 78 ? 35.503 -18.357 50.045 1.00 23.60 ? 78 ALA B N 1 +ATOM 3447 C CA . ALA B 1 78 ? 35.508 -19.790 49.932 1.00 21.69 ? 78 ALA B CA 1 +ATOM 3448 C C . ALA B 1 78 ? 35.750 -20.167 48.472 1.00 33.07 ? 78 ALA B C 1 +ATOM 3449 O O . ALA B 1 78 ? 35.105 -21.034 47.873 1.00 26.30 ? 78 ALA B O 1 +ATOM 3450 C CB . ALA B 1 78 ? 34.125 -20.258 50.297 1.00 27.23 ? 78 ALA B CB 1 +ATOM 3451 N N . GLY B 1 79 ? 36.668 -19.441 47.865 1.00 23.93 ? 79 GLY B N 1 +ATOM 3452 C CA . GLY B 1 79 ? 36.950 -19.718 46.481 1.00 12.74 ? 79 GLY B CA 1 +ATOM 3453 C C . GLY B 1 79 ? 36.007 -19.017 45.518 1.00 19.78 ? 79 GLY B C 1 +ATOM 3454 O O . GLY B 1 79 ? 35.009 -18.406 45.871 1.00 23.60 ? 79 GLY B O 1 +ATOM 3455 N N . PRO B 1 80 ? 36.363 -19.150 44.263 1.00 20.77 ? 80 PRO B N 1 +ATOM 3456 C CA . PRO B 1 80 ? 35.750 -18.526 43.122 1.00 19.43 ? 80 PRO B CA 1 +ATOM 3457 C C . PRO B 1 80 ? 34.268 -18.642 42.926 1.00 25.93 ? 80 PRO B C 1 +ATOM 3458 O O . PRO B 1 80 ? 33.656 -17.738 42.332 1.00 18.86 ? 80 PRO B O 1 +ATOM 3459 C CB . PRO B 1 80 ? 36.513 -19.005 41.893 1.00 31.69 ? 80 PRO B CB 1 +ATOM 3460 C CG . PRO B 1 80 ? 37.662 -19.865 42.410 1.00 32.72 ? 80 PRO B CG 1 +ATOM 3461 C CD . PRO B 1 80 ? 37.441 -20.100 43.889 1.00 21.18 ? 80 PRO B CD 1 +ATOM 3462 N N . THR B 1 81 ? 33.701 -19.746 43.389 1.00 22.46 ? 81 THR B N 1 +ATOM 3463 C CA . THR B 1 81 ? 32.272 -19.871 43.244 1.00 25.72 ? 81 THR B CA 1 +ATOM 3464 C C . THR B 1 81 ? 31.589 -18.859 44.186 1.00 23.28 ? 81 THR B C 1 +ATOM 3465 O O . THR B 1 81 ? 30.499 -18.347 43.979 1.00 32.89 ? 81 THR B O 1 +ATOM 3466 C CB . THR B 1 81 ? 31.834 -21.336 43.470 1.00 27.33 ? 81 THR B CB 1 +ATOM 3467 O OG1 . THR B 1 81 ? 32.109 -21.624 44.813 1.00 24.47 ? 81 THR B OG1 1 +ATOM 3468 C CG2 . THR B 1 81 ? 32.624 -22.292 42.569 1.00 13.77 ? 81 THR B CG2 1 +ATOM 3469 N N . THR B 1 82 ? 32.268 -18.498 45.240 1.00 29.85 ? 82 THR B N 1 +ATOM 3470 C CA . THR B 1 82 ? 31.641 -17.563 46.148 1.00 17.17 ? 82 THR B CA 1 +ATOM 3471 C C . THR B 1 82 ? 31.746 -16.114 45.795 1.00 25.45 ? 82 THR B C 1 +ATOM 3472 O O . THR B 1 82 ? 31.502 -15.302 46.667 1.00 18.84 ? 82 THR B O 1 +ATOM 3473 C CB . THR B 1 82 ? 32.096 -17.813 47.558 1.00 13.39 ? 82 THR B CB 1 +ATOM 3474 O OG1 . THR B 1 82 ? 33.410 -17.339 47.742 1.00 19.57 ? 82 THR B OG1 1 +ATOM 3475 C CG2 . THR B 1 82 ? 31.995 -19.293 47.827 1.00 16.45 ? 82 THR B CG2 1 +ATOM 3476 N N . ARG B 1 83 ? 32.078 -15.799 44.537 1.00 10.66 ? 83 ARG B N 1 +ATOM 3477 C CA . ARG B 1 83 ? 32.137 -14.406 44.110 1.00 12.00 ? 83 ARG B CA 1 +ATOM 3478 C C . ARG B 1 83 ? 30.724 -13.922 43.891 1.00 36.91 ? 83 ARG B C 1 +ATOM 3479 O O . ARG B 1 83 ? 29.998 -14.522 43.100 1.00 33.10 ? 83 ARG B O 1 +ATOM 3480 C CB . ARG B 1 83 ? 32.991 -14.176 42.857 1.00 10.86 ? 83 ARG B CB 1 +ATOM 3481 C CG . ARG B 1 83 ? 34.445 -14.478 43.178 1.00 24.13 ? 83 ARG B CG 1 +ATOM 3482 C CD . ARG B 1 83 ? 35.288 -14.649 41.939 1.00 22.22 ? 83 ARG B CD 1 +ATOM 3483 N NE . ARG B 1 83 ? 35.621 -13.366 41.359 1.00 18.01 ? 83 ARG B NE 1 +ATOM 3484 C CZ . ARG B 1 83 ? 35.085 -12.819 40.261 1.00 21.01 ? 83 ARG B CZ 1 +ATOM 3485 N NH1 . ARG B 1 83 ? 34.111 -13.406 39.576 1.00 16.14 ? 83 ARG B NH1 1 +ATOM 3486 N NH2 . ARG B 1 83 ? 35.539 -11.632 39.869 1.00 14.49 ? 83 ARG B NH2 1 +ATOM 3487 N N . THR B 1 84 ? 30.314 -12.863 44.589 1.00 24.52 ? 84 THR B N 1 +ATOM 3488 C CA . THR B 1 84 ? 28.931 -12.392 44.428 1.00 10.42 ? 84 THR B CA 1 +ATOM 3489 C C . THR B 1 84 ? 28.757 -11.537 43.169 1.00 27.48 ? 84 THR B C 1 +ATOM 3490 O O . THR B 1 84 ? 29.677 -10.900 42.666 1.00 27.20 ? 84 THR B O 1 +ATOM 3491 C CB . THR B 1 84 ? 28.420 -11.695 45.697 1.00 13.62 ? 84 THR B CB 1 +ATOM 3492 O OG1 . THR B 1 84 ? 29.272 -10.610 45.977 1.00 28.47 ? 84 THR B OG1 1 +ATOM 3493 C CG2 . THR B 1 84 ? 28.566 -12.609 46.943 1.00 19.53 ? 84 THR B CG2 1 +ATOM 3494 N N . PRO B 1 85 ? 27.548 -11.539 42.644 1.00 25.62 ? 85 PRO B N 1 +ATOM 3495 C CA . PRO B 1 85 ? 27.218 -10.778 41.459 1.00 17.64 ? 85 PRO B CA 1 +ATOM 3496 C C . PRO B 1 85 ? 27.111 -9.273 41.735 1.00 29.65 ? 85 PRO B C 1 +ATOM 3497 O O . PRO B 1 85 ? 27.042 -8.779 42.870 1.00 24.48 ? 85 PRO B O 1 +ATOM 3498 C CB . PRO B 1 85 ? 25.868 -11.303 40.983 1.00 18.46 ? 85 PRO B CB 1 +ATOM 3499 C CG . PRO B 1 85 ? 25.279 -12.084 42.162 1.00 31.76 ? 85 PRO B CG 1 +ATOM 3500 C CD . PRO B 1 85 ? 26.339 -12.179 43.239 1.00 24.62 ? 85 PRO B CD 1 +ATOM 3501 N N . GLU B 1 86 ? 27.125 -8.546 40.639 1.00 25.83 ? 86 GLU B N 1 +ATOM 3502 C CA . GLU B 1 86 ? 27.058 -7.110 40.711 1.00 19.51 ? 86 GLU B CA 1 +ATOM 3503 C C . GLU B 1 86 ? 25.681 -6.663 41.168 1.00 33.66 ? 86 GLU B C 1 +ATOM 3504 O O . GLU B 1 86 ? 24.706 -7.400 41.079 1.00 19.35 ? 86 GLU B O 1 +ATOM 3505 C CB . GLU B 1 86 ? 27.425 -6.488 39.378 1.00 18.26 ? 86 GLU B CB 1 +ATOM 3506 C CG . GLU B 1 86 ? 26.401 -6.578 38.261 1.00 22.32 ? 86 GLU B CG 1 +ATOM 3507 C CD . GLU B 1 86 ? 26.864 -5.815 37.037 1.00 35.31 ? 86 GLU B CD 1 +ATOM 3508 O OE1 . GLU B 1 86 ? 27.084 -4.646 37.087 1.00 40.78 ? 86 GLU B OE1 1 +ATOM 3509 O OE2 . GLU B 1 86 ? 27.006 -6.515 35.927 1.00 48.45 ? 86 GLU B OE2 1 +ATOM 3510 N N . VAL B 1 87 ? 25.603 -5.436 41.649 1.00 31.25 ? 87 VAL B N 1 +ATOM 3511 C CA . VAL B 1 87 ? 24.323 -4.932 42.134 1.00 22.05 ? 87 VAL B CA 1 +ATOM 3512 C C . VAL B 1 87 ? 23.465 -4.410 40.985 1.00 26.65 ? 87 VAL B C 1 +ATOM 3513 O O . VAL B 1 87 ? 23.945 -3.753 40.064 1.00 19.61 ? 87 VAL B O 1 +ATOM 3514 C CB . VAL B 1 87 ? 24.553 -3.843 43.227 1.00 22.58 ? 87 VAL B CB 1 +ATOM 3515 C CG1 . VAL B 1 87 ? 23.257 -3.295 43.792 1.00 26.46 ? 87 VAL B CG1 1 +ATOM 3516 C CG2 . VAL B 1 87 ? 25.380 -4.406 44.373 1.00 28.47 ? 87 VAL B CG2 1 +ATOM 3517 N N . ALA B 1 88 ? 22.174 -4.702 41.024 1.00 31.81 ? 88 ALA B N 1 +ATOM 3518 C CA . ALA B 1 88 ? 21.249 -4.206 40.013 1.00 18.63 ? 88 ALA B CA 1 +ATOM 3519 C C . ALA B 1 88 ? 20.558 -2.941 40.526 1.00 18.79 ? 88 ALA B C 1 +ATOM 3520 O O . ALA B 1 88 ? 20.104 -2.868 41.651 1.00 21.23 ? 88 ALA B O 1 +ATOM 3521 C CB . ALA B 1 88 ? 20.132 -5.205 39.770 1.00 21.00 ? 88 ALA B CB 1 +ATOM 3522 N N . LEU B 1 89 ? 20.421 -1.960 39.649 1.00 18.72 ? 89 LEU B N 1 +ATOM 3523 C CA . LEU B 1 89 ? 19.765 -0.735 40.009 1.00 21.29 ? 89 LEU B CA 1 +ATOM 3524 C C . LEU B 1 89 ? 18.453 -0.932 40.772 1.00 27.40 ? 89 LEU B C 1 +ATOM 3525 O O . LEU B 1 89 ? 18.212 -0.386 41.852 1.00 29.71 ? 89 LEU B O 1 +ATOM 3526 C CB . LEU B 1 89 ? 19.520 0.109 38.743 1.00 19.04 ? 89 LEU B CB 1 +ATOM 3527 C CG . LEU B 1 89 ? 18.629 1.329 38.944 1.00 22.34 ? 89 LEU B CG 1 +ATOM 3528 C CD1 . LEU B 1 89 ? 19.470 2.486 39.445 1.00 22.53 ? 89 LEU B CD1 1 +ATOM 3529 C CD2 . LEU B 1 89 ? 18.106 1.763 37.597 1.00 34.81 ? 89 LEU B CD2 1 +ATOM 3530 N N . SER B 1 90 ? 17.568 -1.714 40.186 1.00 21.65 ? 90 SER B N 1 +ATOM 3531 C CA . SER B 1 90 ? 16.283 -1.919 40.806 1.00 24.57 ? 90 SER B CA 1 +ATOM 3532 C C . SER B 1 90 ? 16.353 -2.422 42.257 1.00 27.87 ? 90 SER B C 1 +ATOM 3533 O O . SER B 1 90 ? 15.504 -2.132 43.099 1.00 27.19 ? 90 SER B O 1 +ATOM 3534 C CB . SER B 1 90 ? 15.375 -2.730 39.885 1.00 30.61 ? 90 SER B CB 1 +ATOM 3535 O OG . SER B 1 90 ? 15.733 -4.102 39.965 1.00 28.22 ? 90 SER B OG 1 +ATOM 3536 N N . ARG B 1 91 ? 17.374 -3.186 42.589 1.00 20.85 ? 91 ARG B N 1 +ATOM 3537 C CA . ARG B 1 91 ? 17.427 -3.671 43.956 1.00 19.63 ? 91 ARG B CA 1 +ATOM 3538 C C . ARG B 1 91 ? 17.674 -2.566 44.971 1.00 26.53 ? 91 ARG B C 1 +ATOM 3539 O O . ARG B 1 91 ? 17.343 -2.653 46.150 1.00 22.24 ? 91 ARG B O 1 +ATOM 3540 C CB . ARG B 1 91 ? 18.508 -4.722 44.068 1.00 41.44 ? 91 ARG B CB 1 +ATOM 3541 C CG . ARG B 1 91 ? 18.085 -6.002 43.383 1.00 75.44 ? 91 ARG B CG 1 +ATOM 3542 C CD . ARG B 1 91 ? 18.041 -7.159 44.392 1.00 100.00 ? 91 ARG B CD 1 +ATOM 3543 N NE . ARG B 1 91 ? 18.018 -8.502 43.772 1.00 100.00 ? 91 ARG B NE 1 +ATOM 3544 C CZ . ARG B 1 91 ? 18.982 -9.445 43.949 1.00 100.00 ? 91 ARG B CZ 1 +ATOM 3545 N NH1 . ARG B 1 91 ? 20.078 -9.195 44.732 1.00 100.00 ? 91 ARG B NH1 1 +ATOM 3546 N NH2 . ARG B 1 91 ? 18.814 -10.652 43.293 1.00 100.00 ? 91 ARG B NH2 1 +ATOM 3547 N N . LEU B 1 92 ? 18.280 -1.489 44.486 1.00 32.00 ? 92 LEU B N 1 +ATOM 3548 C CA . LEU B 1 92 ? 18.575 -0.366 45.349 1.00 34.12 ? 92 LEU B CA 1 +ATOM 3549 C C . LEU B 1 92 ? 17.371 0.544 45.456 1.00 25.26 ? 92 LEU B C 1 +ATOM 3550 O O . LEU B 1 92 ? 16.906 0.899 46.518 1.00 22.11 ? 92 LEU B O 1 +ATOM 3551 C CB . LEU B 1 92 ? 19.784 0.455 44.810 1.00 31.74 ? 92 LEU B CB 1 +ATOM 3552 C CG . LEU B 1 92 ? 21.136 -0.284 44.848 1.00 34.73 ? 92 LEU B CG 1 +ATOM 3553 C CD1 . LEU B 1 92 ? 22.153 0.334 43.864 1.00 15.71 ? 92 LEU B CD1 1 +ATOM 3554 C CD2 . LEU B 1 92 ? 21.709 -0.310 46.273 1.00 16.71 ? 92 LEU B CD2 1 +ATOM 3555 N N . THR B 1 93 ? 16.864 0.933 44.315 1.00 17.67 ? 93 THR B N 1 +ATOM 3556 C CA . THR B 1 93 ? 15.766 1.830 44.403 1.00 21.73 ? 93 THR B CA 1 +ATOM 3557 C C . THR B 1 93 ? 14.618 1.274 45.166 1.00 28.22 ? 93 THR B C 1 +ATOM 3558 O O . THR B 1 93 ? 13.989 1.928 45.970 1.00 28.44 ? 93 THR B O 1 +ATOM 3559 C CB . THR B 1 93 ? 15.350 2.273 43.016 1.00 25.61 ? 93 THR B CB 1 +ATOM 3560 O OG1 . THR B 1 93 ? 15.156 1.130 42.239 1.00 22.70 ? 93 THR B OG1 1 +ATOM 3561 C CG2 . THR B 1 93 ? 16.500 3.127 42.497 1.00 8.15 ? 93 THR B CG2 1 +ATOM 3562 N N . GLU B 1 94 ? 14.335 0.037 44.880 1.00 23.89 ? 94 GLU B N 1 +ATOM 3563 C CA . GLU B 1 94 ? 13.237 -0.560 45.548 1.00 17.52 ? 94 GLU B CA 1 +ATOM 3564 C C . GLU B 1 94 ? 13.474 -0.622 47.023 1.00 26.64 ? 94 GLU B C 1 +ATOM 3565 O O . GLU B 1 94 ? 12.556 -0.784 47.808 1.00 31.10 ? 94 GLU B O 1 +ATOM 3566 C CB . GLU B 1 94 ? 12.965 -1.969 45.014 1.00 28.61 ? 94 GLU B CB 1 +ATOM 3567 C CG . GLU B 1 94 ? 12.415 -2.004 43.568 1.00 36.57 ? 94 GLU B CG 1 +ATOM 3568 C CD . GLU B 1 94 ? 12.052 -3.413 43.165 1.00 100.00 ? 94 GLU B CD 1 +ATOM 3569 O OE1 . GLU B 1 94 ? 12.478 -4.412 43.731 1.00 38.45 ? 94 GLU B OE1 1 +ATOM 3570 O OE2 . GLU B 1 94 ? 11.222 -3.459 42.155 1.00 48.75 ? 94 GLU B OE2 1 +ATOM 3571 N N . ALA B 1 95 ? 14.708 -0.521 47.446 1.00 30.48 ? 95 ALA B N 1 +ATOM 3572 C CA . ALA B 1 95 ? 14.911 -0.594 48.873 1.00 22.33 ? 95 ALA B CA 1 +ATOM 3573 C C . ALA B 1 95 ? 14.973 0.783 49.511 1.00 14.88 ? 95 ALA B C 1 +ATOM 3574 O O . ALA B 1 95 ? 15.282 0.939 50.693 1.00 21.56 ? 95 ALA B O 1 +ATOM 3575 C CB . ALA B 1 95 ? 16.150 -1.425 49.184 1.00 20.53 ? 95 ALA B CB 1 +ATOM 3576 N N . GLY B 1 96 ? 14.716 1.795 48.726 1.00 17.68 ? 96 GLY B N 1 +ATOM 3577 C CA . GLY B 1 96 ? 14.735 3.156 49.234 1.00 19.93 ? 96 GLY B CA 1 +ATOM 3578 C C . GLY B 1 96 ? 16.048 3.885 49.006 1.00 23.00 ? 96 GLY B C 1 +ATOM 3579 O O . GLY B 1 96 ? 16.164 5.048 49.299 1.00 25.07 ? 96 GLY B O 1 +ATOM 3580 N N . VAL B 1 97 ? 17.043 3.191 48.488 1.00 21.71 ? 97 VAL B N 1 +ATOM 3581 C CA . VAL B 1 97 ? 18.337 3.763 48.254 1.00 23.61 ? 97 VAL B CA 1 +ATOM 3582 C C . VAL B 1 97 ? 18.423 4.617 47.002 1.00 30.51 ? 97 VAL B C 1 +ATOM 3583 O O . VAL B 1 97 ? 18.131 4.158 45.916 1.00 21.39 ? 97 VAL B O 1 +ATOM 3584 C CB . VAL B 1 97 ? 19.375 2.657 48.204 1.00 23.49 ? 97 VAL B CB 1 +ATOM 3585 C CG1 . VAL B 1 97 ? 20.801 3.228 48.167 1.00 27.99 ? 97 VAL B CG1 1 +ATOM 3586 C CG2 . VAL B 1 97 ? 19.179 1.789 49.428 1.00 13.82 ? 97 VAL B CG2 1 +ATOM 3587 N N . THR B 1 98 ? 18.872 5.872 47.174 1.00 18.21 ? 98 THR B N 1 +ATOM 3588 C CA . THR B 1 98 ? 19.023 6.794 46.066 1.00 9.96 ? 98 THR B CA 1 +ATOM 3589 C C . THR B 1 98 ? 20.461 7.322 45.892 1.00 12.92 ? 98 THR B C 1 +ATOM 3590 O O . THR B 1 98 ? 20.821 8.016 44.911 1.00 14.70 ? 98 THR B O 1 +ATOM 3591 C CB . THR B 1 98 ? 18.039 7.993 46.205 1.00 32.84 ? 98 THR B CB 1 +ATOM 3592 O OG1 . THR B 1 98 ? 18.029 8.478 47.541 1.00 25.97 ? 98 THR B OG1 1 +ATOM 3593 C CG2 . THR B 1 98 ? 16.643 7.547 45.820 1.00 27.81 ? 98 THR B CG2 1 +ATOM 3594 N N . SER B 1 99 ? 21.288 7.050 46.884 1.00 14.93 ? 99 SER B N 1 +ATOM 3595 C CA . SER B 1 99 ? 22.660 7.503 46.871 1.00 20.58 ? 99 SER B CA 1 +ATOM 3596 C C . SER B 1 99 ? 23.451 6.364 47.443 1.00 26.24 ? 99 SER B C 1 +ATOM 3597 O O . SER B 1 99 ? 23.024 5.747 48.383 1.00 18.68 ? 99 SER B O 1 +ATOM 3598 C CB . SER B 1 99 ? 22.812 8.762 47.710 1.00 14.92 ? 99 SER B CB 1 +ATOM 3599 O OG . SER B 1 99 ? 22.591 9.866 46.893 1.00 12.58 ? 99 SER B OG 1 +ATOM 3600 N N . VAL B 1 100 ? 24.558 6.023 46.846 1.00 29.74 ? 100 VAL B N 1 +ATOM 3601 C CA . VAL B 1 100 ? 25.254 4.876 47.382 1.00 27.57 ? 100 VAL B CA 1 +ATOM 3602 C C . VAL B 1 100 ? 26.759 5.049 47.265 1.00 25.32 ? 100 VAL B C 1 +ATOM 3603 O O . VAL B 1 100 ? 27.227 5.772 46.367 1.00 18.68 ? 100 VAL B O 1 +ATOM 3604 C CB . VAL B 1 100 ? 24.748 3.667 46.580 1.00 18.34 ? 100 VAL B CB 1 +ATOM 3605 C CG1 . VAL B 1 100 ? 25.383 3.719 45.193 1.00 24.17 ? 100 VAL B CG1 1 +ATOM 3606 C CG2 . VAL B 1 100 ? 25.119 2.347 47.189 1.00 20.44 ? 100 VAL B CG2 1 +ATOM 3607 N N . VAL B 1 101 ? 27.494 4.395 48.178 1.00 18.36 ? 101 VAL B N 1 +ATOM 3608 C CA . VAL B 1 101 ? 28.932 4.462 48.138 1.00 6.10 ? 101 VAL B CA 1 +ATOM 3609 C C . VAL B 1 101 ? 29.475 3.089 47.962 1.00 18.94 ? 101 VAL B C 1 +ATOM 3610 O O . VAL B 1 101 ? 29.218 2.246 48.815 1.00 15.04 ? 101 VAL B O 1 +ATOM 3611 C CB . VAL B 1 101 ? 29.576 5.082 49.354 1.00 15.94 ? 101 VAL B CB 1 +ATOM 3612 C CG1 . VAL B 1 101 ? 31.053 5.127 49.085 1.00 7.57 ? 101 VAL B CG1 1 +ATOM 3613 C CG2 . VAL B 1 101 ? 29.082 6.509 49.426 1.00 17.13 ? 101 VAL B CG2 1 +ATOM 3614 N N . GLY B 1 102 ? 30.205 2.888 46.856 1.00 15.61 ? 102 GLY B N 1 +ATOM 3615 C CA . GLY B 1 102 ? 30.726 1.550 46.604 1.00 16.78 ? 102 GLY B CA 1 +ATOM 3616 C C . GLY B 1 102 ? 32.154 1.383 47.080 1.00 19.56 ? 102 GLY B C 1 +ATOM 3617 O O . GLY B 1 102 ? 32.953 2.345 47.133 1.00 18.91 ? 102 GLY B O 1 +ATOM 3618 N N . LEU B 1 103 ? 32.438 0.124 47.411 1.00 13.40 ? 103 LEU B N 1 +ATOM 3619 C CA . LEU B 1 103 ? 33.737 -0.280 47.874 1.00 21.33 ? 103 LEU B CA 1 +ATOM 3620 C C . LEU B 1 103 ? 34.042 -1.740 47.544 1.00 25.58 ? 103 LEU B C 1 +ATOM 3621 O O . LEU B 1 103 ? 33.211 -2.478 47.043 1.00 17.58 ? 103 LEU B O 1 +ATOM 3622 C CB . LEU B 1 103 ? 33.897 -0.011 49.380 1.00 19.31 ? 103 LEU B CB 1 +ATOM 3623 C CG . LEU B 1 103 ? 32.659 -0.457 50.125 1.00 26.44 ? 103 LEU B CG 1 +ATOM 3624 C CD1 . LEU B 1 103 ? 32.521 -1.970 50.106 1.00 24.43 ? 103 LEU B CD1 1 +ATOM 3625 C CD2 . LEU B 1 103 ? 32.676 0.107 51.539 1.00 32.96 ? 103 LEU B CD2 1 +ATOM 3626 N N . LEU B 1 104 ? 35.287 -2.125 47.822 1.00 12.45 ? 104 LEU B N 1 +ATOM 3627 C CA . LEU B 1 104 ? 35.765 -3.468 47.631 1.00 10.43 ? 104 LEU B CA 1 +ATOM 3628 C C . LEU B 1 104 ? 35.925 -4.098 48.993 1.00 16.83 ? 104 LEU B C 1 +ATOM 3629 O O . LEU B 1 104 ? 35.865 -3.395 49.990 1.00 32.46 ? 104 LEU B O 1 +ATOM 3630 C CB . LEU B 1 104 ? 37.080 -3.575 46.813 1.00 14.35 ? 104 LEU B CB 1 +ATOM 3631 C CG . LEU B 1 104 ? 36.932 -3.043 45.382 1.00 20.41 ? 104 LEU B CG 1 +ATOM 3632 C CD1 . LEU B 1 104 ? 38.193 -3.361 44.608 1.00 24.47 ? 104 LEU B CD1 1 +ATOM 3633 C CD2 . LEU B 1 104 ? 35.722 -3.643 44.667 1.00 26.72 ? 104 LEU B CD2 1 +ATOM 3634 N N . GLY B 1 105 ? 36.123 -5.410 49.029 1.00 20.48 ? 105 GLY B N 1 +ATOM 3635 C CA . GLY B 1 105 ? 36.277 -6.128 50.271 1.00 19.50 ? 105 GLY B CA 1 +ATOM 3636 C C . GLY B 1 105 ? 37.547 -6.969 50.364 1.00 10.40 ? 105 GLY B C 1 +ATOM 3637 O O . GLY B 1 105 ? 38.675 -6.514 50.246 1.00 18.13 ? 105 GLY B O 1 +ATOM 3638 N N . THR B 1 106 ? 37.339 -8.226 50.667 1.00 24.99 ? 106 THR B N 1 +ATOM 3639 C CA . THR B 1 106 ? 38.446 -9.126 50.878 1.00 22.12 ? 106 THR B CA 1 +ATOM 3640 C C . THR B 1 106 ? 39.302 -9.349 49.648 1.00 21.95 ? 106 THR B C 1 +ATOM 3641 O O . THR B 1 106 ? 40.518 -9.343 49.695 1.00 29.16 ? 106 THR B O 1 +ATOM 3642 C CB . THR B 1 106 ? 37.888 -10.466 51.394 1.00 26.95 ? 106 THR B CB 1 +ATOM 3643 O OG1 . THR B 1 106 ? 37.064 -10.172 52.486 1.00 27.65 ? 106 THR B OG1 1 +ATOM 3644 C CG2 . THR B 1 106 ? 39.017 -11.400 51.835 1.00 16.53 ? 106 THR B CG2 1 +ATOM 3645 N N . ASP B 1 107 ? 38.638 -9.601 48.544 1.00 15.35 ? 107 ASP B N 1 +ATOM 3646 C CA . ASP B 1 107 ? 39.298 -9.853 47.296 1.00 15.55 ? 107 ASP B CA 1 +ATOM 3647 C C . ASP B 1 107 ? 39.563 -8.579 46.481 1.00 18.03 ? 107 ASP B C 1 +ATOM 3648 O O . ASP B 1 107 ? 38.674 -7.830 46.092 1.00 24.19 ? 107 ASP B O 1 +ATOM 3649 C CB . ASP B 1 107 ? 38.405 -10.820 46.459 1.00 21.35 ? 107 ASP B CB 1 +ATOM 3650 C CG . ASP B 1 107 ? 38.957 -11.129 45.083 1.00 33.27 ? 107 ASP B CG 1 +ATOM 3651 O OD1 . ASP B 1 107 ? 39.997 -10.639 44.667 1.00 19.15 ? 107 ASP B OD1 1 +ATOM 3652 O OD2 . ASP B 1 107 ? 38.194 -11.941 44.362 1.00 24.78 ? 107 ASP B OD2 1 +ATOM 3653 N N . SER B 1 108 ? 40.821 -8.353 46.184 1.00 9.60 ? 108 SER B N 1 +ATOM 3654 C CA . SER B 1 108 ? 41.228 -7.233 45.348 1.00 14.44 ? 108 SER B CA 1 +ATOM 3655 C C . SER B 1 108 ? 42.196 -7.777 44.312 1.00 18.10 ? 108 SER B C 1 +ATOM 3656 O O . SER B 1 108 ? 43.086 -7.085 43.809 1.00 14.70 ? 108 SER B O 1 +ATOM 3657 C CB . SER B 1 108 ? 41.808 -6.020 46.095 1.00 13.12 ? 108 SER B CB 1 +ATOM 3658 O OG . SER B 1 108 ? 42.860 -6.413 46.944 1.00 23.28 ? 108 SER B OG 1 +ATOM 3659 N N . ILE B 1 109 ? 42.030 -9.077 44.055 1.00 20.27 ? 109 ILE B N 1 +ATOM 3660 C CA . ILE B 1 109 ? 42.825 -9.734 43.047 1.00 24.69 ? 109 ILE B CA 1 +ATOM 3661 C C . ILE B 1 109 ? 41.971 -9.904 41.801 1.00 22.86 ? 109 ILE B C 1 +ATOM 3662 O O . ILE B 1 109 ? 42.373 -9.578 40.684 1.00 15.56 ? 109 ILE B O 1 +ATOM 3663 C CB . ILE B 1 109 ? 43.354 -11.078 43.468 1.00 22.94 ? 109 ILE B CB 1 +ATOM 3664 C CG1 . ILE B 1 109 ? 44.104 -10.969 44.798 1.00 16.67 ? 109 ILE B CG1 1 +ATOM 3665 C CG2 . ILE B 1 109 ? 44.258 -11.486 42.327 1.00 12.34 ? 109 ILE B CG2 1 +ATOM 3666 C CD1 . ILE B 1 109 ? 45.614 -10.949 44.676 1.00 18.97 ? 109 ILE B CD1 1 +ATOM 3667 N N . SER B 1 110 ? 40.763 -10.415 42.011 1.00 13.41 ? 110 SER B N 1 +ATOM 3668 C CA . SER B 1 110 ? 39.846 -10.582 40.876 1.00 6.79 ? 110 SER B CA 1 +ATOM 3669 C C . SER B 1 110 ? 38.947 -9.364 40.765 1.00 14.70 ? 110 SER B C 1 +ATOM 3670 O O . SER B 1 110 ? 38.177 -9.300 39.817 1.00 27.17 ? 110 SER B O 1 +ATOM 3671 C CB . SER B 1 110 ? 38.902 -11.751 41.082 1.00 10.03 ? 110 SER B CB 1 +ATOM 3672 O OG . SER B 1 110 ? 37.874 -11.378 42.023 1.00 22.16 ? 110 SER B OG 1 +ATOM 3673 N N . ARG B 1 111 ? 39.017 -8.463 41.791 1.00 13.56 ? 111 ARG B N 1 +ATOM 3674 C CA . ARG B 1 111 ? 38.231 -7.223 41.951 1.00 11.74 ? 111 ARG B CA 1 +ATOM 3675 C C . ARG B 1 111 ? 39.092 -6.000 41.775 1.00 15.19 ? 111 ARG B C 1 +ATOM 3676 O O . ARG B 1 111 ? 40.133 -5.875 42.427 1.00 8.08 ? 111 ARG B O 1 +ATOM 3677 C CB . ARG B 1 111 ? 37.424 -7.156 43.244 1.00 9.16 ? 111 ARG B CB 1 +ATOM 3678 C CG . ARG B 1 111 ? 36.494 -8.374 43.405 1.00 13.19 ? 111 ARG B CG 1 +ATOM 3679 C CD . ARG B 1 111 ? 35.476 -8.666 42.256 1.00 14.14 ? 111 ARG B CD 1 +ATOM 3680 N NE . ARG B 1 111 ? 34.463 -9.552 42.852 1.00 24.72 ? 111 ARG B NE 1 +ATOM 3681 C CZ . ARG B 1 111 ? 33.324 -9.951 42.312 1.00 32.03 ? 111 ARG B CZ 1 +ATOM 3682 N NH1 . ARG B 1 111 ? 33.009 -9.528 41.105 1.00 12.44 ? 111 ARG B NH1 1 +ATOM 3683 N NH2 . ARG B 1 111 ? 32.479 -10.761 43.000 1.00 14.93 ? 111 ARG B NH2 1 +ATOM 3684 N N . HIS B 1 112 ? 38.673 -5.083 40.898 1.00 7.07 ? 112 HIS B N 1 +ATOM 3685 C CA . HIS B 1 112 ? 39.521 -3.914 40.616 1.00 13.17 ? 112 HIS B CA 1 +ATOM 3686 C C . HIS B 1 112 ? 38.826 -2.563 40.736 1.00 19.66 ? 112 HIS B C 1 +ATOM 3687 O O . HIS B 1 112 ? 37.662 -2.416 40.367 1.00 27.37 ? 112 HIS B O 1 +ATOM 3688 C CB . HIS B 1 112 ? 40.227 -4.054 39.249 1.00 16.05 ? 112 HIS B CB 1 +ATOM 3689 C CG . HIS B 1 112 ? 40.868 -5.414 39.037 1.00 18.85 ? 112 HIS B CG 1 +ATOM 3690 N ND1 . HIS B 1 112 ? 40.112 -6.594 38.868 1.00 25.11 ? 112 HIS B ND1 1 +ATOM 3691 C CD2 . HIS B 1 112 ? 42.194 -5.757 38.974 1.00 8.78 ? 112 HIS B CD2 1 +ATOM 3692 C CE1 . HIS B 1 112 ? 40.993 -7.596 38.695 1.00 28.35 ? 112 HIS B CE1 1 +ATOM 3693 N NE2 . HIS B 1 112 ? 42.259 -7.125 38.762 1.00 18.35 ? 112 HIS B NE2 1 +ATOM 3694 N N . PRO B 1 113 ? 39.564 -1.514 41.188 1.00 20.54 ? 113 PRO B N 1 +ATOM 3695 C CA . PRO B 1 113 ? 38.984 -0.172 41.340 1.00 22.77 ? 113 PRO B CA 1 +ATOM 3696 C C . PRO B 1 113 ? 38.425 0.423 40.061 1.00 20.49 ? 113 PRO B C 1 +ATOM 3697 O O . PRO B 1 113 ? 37.400 1.092 40.111 1.00 11.35 ? 113 PRO B O 1 +ATOM 3698 C CB . PRO B 1 113 ? 40.040 0.753 41.966 1.00 16.58 ? 113 PRO B CB 1 +ATOM 3699 C CG . PRO B 1 113 ? 41.284 -0.084 42.148 1.00 17.58 ? 113 PRO B CG 1 +ATOM 3700 C CD . PRO B 1 113 ? 40.946 -1.521 41.710 1.00 13.29 ? 113 PRO B CD 1 +ATOM 3701 N N . GLU B 1 114 ? 39.119 0.168 38.931 1.00 14.20 ? 114 GLU B N 1 +ATOM 3702 C CA . GLU B 1 114 ? 38.686 0.622 37.636 1.00 16.72 ? 114 GLU B CA 1 +ATOM 3703 C C . GLU B 1 114 ? 37.330 0.016 37.324 1.00 16.89 ? 114 GLU B C 1 +ATOM 3704 O O . GLU B 1 114 ? 36.482 0.696 36.777 1.00 13.59 ? 114 GLU B O 1 +ATOM 3705 C CB . GLU B 1 114 ? 39.678 0.191 36.545 1.00 20.03 ? 114 GLU B CB 1 +ATOM 3706 C CG . GLU B 1 114 ? 41.016 0.886 36.715 1.00 16.97 ? 114 GLU B CG 1 +ATOM 3707 C CD . GLU B 1 114 ? 41.971 0.072 37.557 1.00 31.96 ? 114 GLU B CD 1 +ATOM 3708 O OE1 . GLU B 1 114 ? 41.626 -0.893 38.165 1.00 19.94 ? 114 GLU B OE1 1 +ATOM 3709 O OE2 . GLU B 1 114 ? 43.186 0.545 37.585 1.00 35.28 ? 114 GLU B OE2 1 +ATOM 3710 N N . SER B 1 115 ? 37.113 -1.253 37.697 1.00 12.17 ? 115 SER B N 1 +ATOM 3711 C CA . SER B 1 115 ? 35.791 -1.879 37.482 1.00 4.42 ? 115 SER B CA 1 +ATOM 3712 C C . SER B 1 115 ? 34.751 -1.182 38.336 1.00 20.99 ? 115 SER B C 1 +ATOM 3713 O O . SER B 1 115 ? 33.662 -0.798 37.851 1.00 27.56 ? 115 SER B O 1 +ATOM 3714 C CB . SER B 1 115 ? 35.789 -3.364 37.766 1.00 10.90 ? 115 SER B CB 1 +ATOM 3715 O OG . SER B 1 115 ? 36.873 -3.959 37.068 1.00 26.85 ? 115 SER B OG 1 +ATOM 3716 N N . LEU B 1 116 ? 35.134 -0.964 39.604 1.00 9.39 ? 116 LEU B N 1 +ATOM 3717 C CA . LEU B 1 116 ? 34.233 -0.329 40.560 1.00 10.97 ? 116 LEU B CA 1 +ATOM 3718 C C . LEU B 1 116 ? 33.897 1.070 40.134 1.00 16.20 ? 116 LEU B C 1 +ATOM 3719 O O . LEU B 1 116 ? 32.775 1.552 40.281 1.00 13.67 ? 116 LEU B O 1 +ATOM 3720 C CB . LEU B 1 116 ? 34.728 -0.403 42.017 1.00 16.24 ? 116 LEU B CB 1 +ATOM 3721 C CG . LEU B 1 116 ? 33.928 0.391 43.062 1.00 17.84 ? 116 LEU B CG 1 +ATOM 3722 C CD1 . LEU B 1 116 ? 32.465 -0.041 43.170 1.00 10.34 ? 116 LEU B CD1 1 +ATOM 3723 C CD2 . LEU B 1 116 ? 34.618 0.277 44.428 1.00 4.43 ? 116 LEU B CD2 1 +ATOM 3724 N N . LEU B 1 117 ? 34.886 1.705 39.572 1.00 13.46 ? 117 LEU B N 1 +ATOM 3725 C CA . LEU B 1 117 ? 34.636 3.055 39.116 1.00 13.18 ? 117 LEU B CA 1 +ATOM 3726 C C . LEU B 1 117 ? 33.687 3.075 37.912 1.00 18.17 ? 117 LEU B C 1 +ATOM 3727 O O . LEU B 1 117 ? 32.827 3.905 37.811 1.00 17.77 ? 117 LEU B O 1 +ATOM 3728 C CB . LEU B 1 117 ? 35.962 3.748 38.769 1.00 8.86 ? 117 LEU B CB 1 +ATOM 3729 C CG . LEU B 1 117 ? 35.807 5.088 38.049 1.00 15.32 ? 117 LEU B CG 1 +ATOM 3730 C CD1 . LEU B 1 117 ? 35.236 6.163 38.930 1.00 9.40 ? 117 LEU B CD1 1 +ATOM 3731 C CD2 . LEU B 1 117 ? 37.148 5.581 37.501 1.00 16.03 ? 117 LEU B CD2 1 +ATOM 3732 N N . ALA B 1 118 ? 33.870 2.196 36.931 1.00 14.97 ? 118 ALA B N 1 +ATOM 3733 C CA . ALA B 1 118 ? 32.970 2.227 35.772 1.00 13.13 ? 118 ALA B CA 1 +ATOM 3734 C C . ALA B 1 118 ? 31.495 1.942 36.158 1.00 19.13 ? 118 ALA B C 1 +ATOM 3735 O O . ALA B 1 118 ? 30.507 2.514 35.632 1.00 12.43 ? 118 ALA B O 1 +ATOM 3736 C CB . ALA B 1 118 ? 33.461 1.218 34.769 1.00 9.59 ? 118 ALA B CB 1 +ATOM 3737 N N . LYS B 1 119 ? 31.341 1.063 37.149 1.00 12.29 ? 119 LYS B N 1 +ATOM 3738 C CA . LYS B 1 119 ? 30.024 0.718 37.641 1.00 10.28 ? 119 LYS B CA 1 +ATOM 3739 C C . LYS B 1 119 ? 29.355 1.874 38.362 1.00 26.14 ? 119 LYS B C 1 +ATOM 3740 O O . LYS B 1 119 ? 28.135 2.065 38.350 1.00 14.49 ? 119 LYS B O 1 +ATOM 3741 C CB . LYS B 1 119 ? 30.137 -0.429 38.622 1.00 19.04 ? 119 LYS B CB 1 +ATOM 3742 C CG . LYS B 1 119 ? 28.798 -0.678 39.307 1.00 9.93 ? 119 LYS B CG 1 +ATOM 3743 C CD . LYS B 1 119 ? 27.777 -1.189 38.290 1.00 13.55 ? 119 LYS B CD 1 +ATOM 3744 C CE . LYS B 1 119 ? 26.821 -2.150 38.914 1.00 8.65 ? 119 LYS B CE 1 +ATOM 3745 N NZ . LYS B 1 119 ? 25.562 -2.252 38.157 1.00 15.50 ? 119 LYS B NZ 1 +ATOM 3746 N N . THR B 1 120 ? 30.200 2.632 39.050 1.00 19.89 ? 120 THR B N 1 +ATOM 3747 C CA . THR B 1 120 ? 29.734 3.785 39.779 1.00 17.44 ? 120 THR B CA 1 +ATOM 3748 C C . THR B 1 120 ? 29.176 4.751 38.778 1.00 22.68 ? 120 THR B C 1 +ATOM 3749 O O . THR B 1 120 ? 28.139 5.357 38.967 1.00 20.70 ? 120 THR B O 1 +ATOM 3750 C CB . THR B 1 120 ? 30.885 4.383 40.624 1.00 29.79 ? 120 THR B CB 1 +ATOM 3751 O OG1 . THR B 1 120 ? 31.199 3.416 41.587 1.00 18.15 ? 120 THR B OG1 1 +ATOM 3752 C CG2 . THR B 1 120 ? 30.526 5.683 41.343 1.00 8.56 ? 120 THR B CG2 1 +ATOM 3753 N N . ARG B 1 121 ? 29.893 4.874 37.674 1.00 11.88 ? 121 ARG B N 1 +ATOM 3754 C CA . ARG B 1 121 ? 29.441 5.823 36.680 1.00 7.69 ? 121 ARG B CA 1 +ATOM 3755 C C . ARG B 1 121 ? 28.200 5.379 35.968 1.00 23.32 ? 121 ARG B C 1 +ATOM 3756 O O . ARG B 1 121 ? 27.340 6.182 35.624 1.00 18.54 ? 121 ARG B O 1 +ATOM 3757 C CB . ARG B 1 121 ? 30.565 6.126 35.767 1.00 12.96 ? 121 ARG B CB 1 +ATOM 3758 C CG . ARG B 1 121 ? 31.695 6.811 36.531 1.00 21.21 ? 121 ARG B CG 1 +ATOM 3759 C CD . ARG B 1 121 ? 32.731 7.343 35.544 1.00 39.96 ? 121 ARG B CD 1 +ATOM 3760 N NE . ARG B 1 121 ? 33.580 8.419 36.057 1.00 35.47 ? 121 ARG B NE 1 +ATOM 3761 C CZ . ARG B 1 121 ? 34.897 8.451 35.832 1.00 27.09 ? 121 ARG B CZ 1 +ATOM 3762 N NH1 . ARG B 1 121 ? 35.505 7.471 35.127 1.00 15.94 ? 121 ARG B NH1 1 +ATOM 3763 N NH2 . ARG B 1 121 ? 35.636 9.462 36.331 1.00 20.20 ? 121 ARG B NH2 1 +ATOM 3764 N N . ALA B 1 122 ? 28.088 4.073 35.799 1.00 18.21 ? 122 ALA B N 1 +ATOM 3765 C CA . ALA B 1 122 ? 26.901 3.559 35.179 1.00 21.41 ? 122 ALA B CA 1 +ATOM 3766 C C . ALA B 1 122 ? 25.646 3.959 35.976 1.00 16.15 ? 122 ALA B C 1 +ATOM 3767 O O . ALA B 1 122 ? 24.633 4.380 35.427 1.00 21.29 ? 122 ALA B O 1 +ATOM 3768 C CB . ALA B 1 122 ? 27.014 2.043 35.061 1.00 10.93 ? 122 ALA B CB 1 +ATOM 3769 N N . LEU B 1 123 ? 25.740 3.858 37.290 1.00 20.64 ? 123 LEU B N 1 +ATOM 3770 C CA . LEU B 1 123 ? 24.622 4.150 38.176 1.00 18.95 ? 123 LEU B CA 1 +ATOM 3771 C C . LEU B 1 123 ? 24.201 5.585 38.176 1.00 31.57 ? 123 LEU B C 1 +ATOM 3772 O O . LEU B 1 123 ? 23.031 5.902 38.280 1.00 23.53 ? 123 LEU B O 1 +ATOM 3773 C CB . LEU B 1 123 ? 24.824 3.619 39.580 1.00 13.14 ? 123 LEU B CB 1 +ATOM 3774 C CG . LEU B 1 123 ? 24.865 2.097 39.543 1.00 26.17 ? 123 LEU B CG 1 +ATOM 3775 C CD1 . LEU B 1 123 ? 25.182 1.558 40.931 1.00 22.12 ? 123 LEU B CD1 1 +ATOM 3776 C CD2 . LEU B 1 123 ? 23.537 1.582 39.000 1.00 17.92 ? 123 LEU B CD2 1 +ATOM 3777 N N . ASN B 1 124 ? 25.178 6.439 38.034 1.00 23.80 ? 124 ASN B N 1 +ATOM 3778 C CA . ASN B 1 124 ? 24.873 7.838 37.949 1.00 20.91 ? 124 ASN B CA 1 +ATOM 3779 C C . ASN B 1 124 ? 24.140 8.089 36.647 1.00 26.23 ? 124 ASN B C 1 +ATOM 3780 O O . ASN B 1 124 ? 23.213 8.877 36.597 1.00 25.85 ? 124 ASN B O 1 +ATOM 3781 C CB . ASN B 1 124 ? 26.168 8.665 37.960 1.00 19.86 ? 124 ASN B CB 1 +ATOM 3782 C CG . ASN B 1 124 ? 26.632 8.805 39.384 1.00 27.54 ? 124 ASN B CG 1 +ATOM 3783 O OD1 . ASN B 1 124 ? 25.902 9.380 40.173 1.00 31.98 ? 124 ASN B OD1 1 +ATOM 3784 N ND2 . ASN B 1 124 ? 27.794 8.264 39.680 1.00 18.99 ? 124 ASN B ND2 1 +ATOM 3785 N N . GLU B 1 125 ? 24.583 7.396 35.595 1.00 17.35 ? 125 GLU B N 1 +ATOM 3786 C CA . GLU B 1 125 ? 24.008 7.514 34.302 1.00 19.61 ? 125 GLU B CA 1 +ATOM 3787 C C . GLU B 1 125 ? 22.581 6.993 34.283 1.00 28.92 ? 125 GLU B C 1 +ATOM 3788 O O . GLU B 1 125 ? 21.641 7.473 33.632 1.00 21.73 ? 125 GLU B O 1 +ATOM 3789 C CB . GLU B 1 125 ? 24.884 6.777 33.297 1.00 25.81 ? 125 GLU B CB 1 +ATOM 3790 C CG . GLU B 1 125 ? 25.155 7.623 32.058 1.00 42.11 ? 125 GLU B CG 1 +ATOM 3791 C CD . GLU B 1 125 ? 26.192 7.023 31.161 1.00 83.45 ? 125 GLU B CD 1 +ATOM 3792 O OE1 . GLU B 1 125 ? 27.326 6.746 31.527 1.00 59.13 ? 125 GLU B OE1 1 +ATOM 3793 O OE2 . GLU B 1 125 ? 25.743 6.841 29.940 1.00 67.79 ? 125 GLU B OE2 1 +ATOM 3794 N N . GLU B 1 126 ? 22.397 5.959 35.022 1.00 28.18 ? 126 GLU B N 1 +ATOM 3795 C CA . GLU B 1 126 ? 21.067 5.426 35.018 1.00 16.93 ? 126 GLU B CA 1 +ATOM 3796 C C . GLU B 1 126 ? 20.116 6.159 35.942 1.00 29.22 ? 126 GLU B C 1 +ATOM 3797 O O . GLU B 1 126 ? 19.005 5.729 36.034 1.00 21.13 ? 126 GLU B O 1 +ATOM 3798 C CB . GLU B 1 126 ? 21.104 3.925 35.354 1.00 23.36 ? 126 GLU B CB 1 +ATOM 3799 C CG . GLU B 1 126 ? 22.015 3.211 34.334 1.00 36.26 ? 126 GLU B CG 1 +ATOM 3800 C CD . GLU B 1 126 ? 22.357 1.801 34.680 1.00 54.29 ? 126 GLU B CD 1 +ATOM 3801 O OE1 . GLU B 1 126 ? 22.251 1.339 35.799 1.00 50.64 ? 126 GLU B OE1 1 +ATOM 3802 O OE2 . GLU B 1 126 ? 22.779 1.133 33.642 1.00 38.11 ? 126 GLU B OE2 1 +ATOM 3803 N N . GLY B 1 127 ? 20.513 7.240 36.628 1.00 24.24 ? 127 GLY B N 1 +ATOM 3804 C CA . GLY B 1 127 ? 19.544 7.899 37.477 1.00 23.25 ? 127 GLY B CA 1 +ATOM 3805 C C . GLY B 1 127 ? 19.815 8.062 38.971 1.00 28.27 ? 127 GLY B C 1 +ATOM 3806 O O . GLY B 1 127 ? 19.210 8.935 39.582 1.00 35.79 ? 127 GLY B O 1 +ATOM 3807 N N . ILE B 1 128 ? 20.664 7.255 39.606 1.00 20.31 ? 128 ILE B N 1 +ATOM 3808 C CA . ILE B 1 128 ? 20.867 7.491 41.024 1.00 11.32 ? 128 ILE B CA 1 +ATOM 3809 C C . ILE B 1 128 ? 22.190 8.198 41.289 1.00 14.72 ? 128 ILE B C 1 +ATOM 3810 O O . ILE B 1 128 ? 22.817 8.701 40.382 1.00 24.65 ? 128 ILE B O 1 +ATOM 3811 C CB . ILE B 1 128 ? 20.712 6.268 41.886 1.00 22.63 ? 128 ILE B CB 1 +ATOM 3812 C CG1 . ILE B 1 128 ? 21.809 5.305 41.553 1.00 15.92 ? 128 ILE B CG1 1 +ATOM 3813 C CG2 . ILE B 1 128 ? 19.370 5.623 41.613 1.00 32.17 ? 128 ILE B CG2 1 +ATOM 3814 C CD1 . ILE B 1 128 ? 21.874 4.247 42.621 1.00 14.63 ? 128 ILE B CD1 1 +ATOM 3815 N N . SER B 1 129 ? 22.629 8.296 42.531 1.00 24.03 ? 129 SER B N 1 +ATOM 3816 C CA . SER B 1 129 ? 23.893 8.994 42.771 1.00 16.63 ? 129 SER B CA 1 +ATOM 3817 C C . SER B 1 129 ? 24.788 7.996 43.462 1.00 9.24 ? 129 SER B C 1 +ATOM 3818 O O . SER B 1 129 ? 24.302 7.281 44.386 1.00 24.08 ? 129 SER B O 1 +ATOM 3819 C CB . SER B 1 129 ? 23.742 10.264 43.570 1.00 18.16 ? 129 SER B CB 1 +ATOM 3820 O OG . SER B 1 129 ? 22.734 11.073 42.975 1.00 22.17 ? 129 SER B OG 1 +ATOM 3821 N N . ALA B 1 130 ? 26.027 7.954 42.975 1.00 26.01 ? 130 ALA B N 1 +ATOM 3822 C CA . ALA B 1 130 ? 27.045 7.021 43.451 1.00 31.27 ? 130 ALA B CA 1 +ATOM 3823 C C . ALA B 1 130 ? 28.470 7.571 43.448 1.00 27.03 ? 130 ALA B C 1 +ATOM 3824 O O . ALA B 1 130 ? 28.926 8.286 42.546 1.00 19.04 ? 130 ALA B O 1 +ATOM 3825 C CB . ALA B 1 130 ? 27.002 5.823 42.508 1.00 21.79 ? 130 ALA B CB 1 +ATOM 3826 N N . TRP B 1 131 ? 29.194 7.142 44.457 1.00 11.12 ? 131 TRP B N 1 +ATOM 3827 C CA . TRP B 1 131 ? 30.582 7.460 44.664 1.00 16.94 ? 131 TRP B CA 1 +ATOM 3828 C C . TRP B 1 131 ? 31.316 6.165 45.056 1.00 24.85 ? 131 TRP B C 1 +ATOM 3829 O O . TRP B 1 131 ? 30.697 5.115 45.261 1.00 13.03 ? 131 TRP B O 1 +ATOM 3830 C CB . TRP B 1 131 ? 30.697 8.394 45.871 1.00 19.26 ? 131 TRP B CB 1 +ATOM 3831 C CG . TRP B 1 131 ? 30.153 9.744 45.575 1.00 16.32 ? 131 TRP B CG 1 +ATOM 3832 C CD1 . TRP B 1 131 ? 30.829 10.807 45.092 1.00 18.69 ? 131 TRP B CD1 1 +ATOM 3833 C CD2 . TRP B 1 131 ? 28.789 10.178 45.752 1.00 24.91 ? 131 TRP B CD2 1 +ATOM 3834 N NE1 . TRP B 1 131 ? 29.962 11.888 44.935 1.00 17.55 ? 131 TRP B NE1 1 +ATOM 3835 C CE2 . TRP B 1 131 ? 28.711 11.526 45.340 1.00 26.78 ? 131 TRP B CE2 1 +ATOM 3836 C CE3 . TRP B 1 131 ? 27.631 9.548 46.175 1.00 27.76 ? 131 TRP B CE3 1 +ATOM 3837 C CZ2 . TRP B 1 131 ? 27.504 12.228 45.360 1.00 29.05 ? 131 TRP B CZ2 1 +ATOM 3838 C CZ3 . TRP B 1 131 ? 26.449 10.247 46.188 1.00 23.56 ? 131 TRP B CZ3 1 +ATOM 3839 C CH2 . TRP B 1 131 ? 26.383 11.579 45.813 1.00 23.85 ? 131 TRP B CH2 1 +ATOM 3840 N N . MET B 1 132 ? 32.637 6.228 45.224 1.00 9.27 ? 132 MET B N 1 +ATOM 3841 C CA . MET B 1 132 ? 33.347 5.024 45.691 1.00 15.60 ? 132 MET B CA 1 +ATOM 3842 C C . MET B 1 132 ? 34.526 5.358 46.584 1.00 13.01 ? 132 MET B C 1 +ATOM 3843 O O . MET B 1 132 ? 35.046 6.460 46.664 1.00 13.13 ? 132 MET B O 1 +ATOM 3844 C CB . MET B 1 132 ? 33.876 4.143 44.539 1.00 15.37 ? 132 MET B CB 1 +ATOM 3845 C CG . MET B 1 132 ? 34.698 5.024 43.624 1.00 22.67 ? 132 MET B CG 1 +ATOM 3846 S SD . MET B 1 132 ? 35.500 4.145 42.271 1.00 18.96 ? 132 MET B SD 1 +ATOM 3847 C CE . MET B 1 132 ? 36.859 3.351 43.208 1.00 13.47 ? 132 MET B CE 1 +ATOM 3848 N N . LEU B 1 133 ? 34.998 4.335 47.225 1.00 10.88 ? 133 LEU B N 1 +ATOM 3849 C CA . LEU B 1 133 ? 36.162 4.429 48.026 1.00 14.09 ? 133 LEU B CA 1 +ATOM 3850 C C . LEU B 1 133 ? 37.192 3.631 47.251 1.00 24.07 ? 133 LEU B C 1 +ATOM 3851 O O . LEU B 1 133 ? 36.857 2.643 46.589 1.00 20.38 ? 133 LEU B O 1 +ATOM 3852 C CB . LEU B 1 133 ? 35.974 3.770 49.395 1.00 17.25 ? 133 LEU B CB 1 +ATOM 3853 C CG . LEU B 1 133 ? 34.842 4.327 50.253 1.00 14.16 ? 133 LEU B CG 1 +ATOM 3854 C CD1 . LEU B 1 133 ? 34.709 3.416 51.464 1.00 12.46 ? 133 LEU B CD1 1 +ATOM 3855 C CD2 . LEU B 1 133 ? 35.256 5.697 50.770 1.00 12.16 ? 133 LEU B CD2 1 +ATOM 3856 N N . THR B 1 134 ? 38.435 4.079 47.298 1.00 24.75 ? 134 THR B N 1 +ATOM 3857 C CA . THR B 1 134 ? 39.541 3.373 46.623 1.00 17.10 ? 134 THR B CA 1 +ATOM 3858 C C . THR B 1 134 ? 40.115 2.360 47.619 1.00 16.73 ? 134 THR B C 1 +ATOM 3859 O O . THR B 1 134 ? 39.691 2.352 48.752 1.00 19.22 ? 134 THR B O 1 +ATOM 3860 C CB . THR B 1 134 ? 40.599 4.350 46.013 1.00 17.83 ? 134 THR B CB 1 +ATOM 3861 O OG1 . THR B 1 134 ? 41.603 3.648 45.302 1.00 18.10 ? 134 THR B OG1 1 +ATOM 3862 C CG2 . THR B 1 134 ? 41.203 5.359 47.029 1.00 10.72 ? 134 THR B CG2 1 +ATOM 3863 N N . GLY B 1 135 ? 41.045 1.507 47.243 1.00 13.46 ? 135 GLY B N 1 +ATOM 3864 C CA . GLY B 1 135 ? 41.554 0.528 48.238 1.00 12.56 ? 135 GLY B CA 1 +ATOM 3865 C C . GLY B 1 135 ? 40.619 -0.664 48.411 1.00 26.34 ? 135 GLY B C 1 +ATOM 3866 O O . GLY B 1 135 ? 39.713 -0.895 47.614 1.00 22.63 ? 135 GLY B O 1 +ATOM 3867 N N . ALA B 1 136 ? 40.858 -1.435 49.459 1.00 19.06 ? 136 ALA B N 1 +ATOM 3868 C CA . ALA B 1 136 ? 40.111 -2.632 49.797 1.00 14.86 ? 136 ALA B CA 1 +ATOM 3869 C C . ALA B 1 136 ? 40.629 -3.092 51.145 1.00 23.32 ? 136 ALA B C 1 +ATOM 3870 O O . ALA B 1 136 ? 41.223 -2.289 51.909 1.00 26.57 ? 136 ALA B O 1 +ATOM 3871 C CB . ALA B 1 136 ? 40.290 -3.746 48.740 1.00 14.21 ? 136 ALA B CB 1 +ATOM 3872 N N . TYR B 1 137 ? 40.436 -4.374 51.465 1.00 18.09 ? 137 TYR B N 1 +ATOM 3873 C CA . TYR B 1 137 ? 40.985 -4.859 52.729 1.00 19.22 ? 137 TYR B CA 1 +ATOM 3874 C C . TYR B 1 137 ? 42.492 -4.611 52.825 1.00 28.00 ? 137 TYR B C 1 +ATOM 3875 O O . TYR B 1 137 ? 43.003 -4.097 53.823 1.00 34.04 ? 137 TYR B O 1 +ATOM 3876 C CB . TYR B 1 137 ? 40.808 -6.372 52.863 1.00 24.94 ? 137 TYR B CB 1 +ATOM 3877 C CG . TYR B 1 137 ? 39.498 -6.789 53.505 1.00 29.96 ? 137 TYR B CG 1 +ATOM 3878 C CD1 . TYR B 1 137 ? 38.331 -6.039 53.331 1.00 29.87 ? 137 TYR B CD1 1 +ATOM 3879 C CD2 . TYR B 1 137 ? 39.455 -7.932 54.307 1.00 33.01 ? 137 TYR B CD2 1 +ATOM 3880 C CE1 . TYR B 1 137 ? 37.116 -6.443 53.895 1.00 29.20 ? 137 TYR B CE1 1 +ATOM 3881 C CE2 . TYR B 1 137 ? 38.254 -8.352 54.875 1.00 29.65 ? 137 TYR B CE2 1 +ATOM 3882 C CZ . TYR B 1 137 ? 37.094 -7.605 54.674 1.00 40.09 ? 137 TYR B CZ 1 +ATOM 3883 O OH . TYR B 1 137 ? 35.935 -8.043 55.241 1.00 24.47 ? 137 TYR B OH 1 +ATOM 3884 N N . HIS B 1 138 ? 43.178 -5.012 51.747 1.00 21.93 ? 138 HIS B N 1 +ATOM 3885 C CA . HIS B 1 138 ? 44.609 -4.958 51.571 1.00 19.67 ? 138 HIS B CA 1 +ATOM 3886 C C . HIS B 1 138 ? 45.249 -3.622 51.810 1.00 29.89 ? 138 HIS B C 1 +ATOM 3887 O O . HIS B 1 138 ? 44.886 -2.568 51.269 1.00 21.15 ? 138 HIS B O 1 +ATOM 3888 C CB . HIS B 1 138 ? 45.090 -5.528 50.215 1.00 22.94 ? 138 HIS B CB 1 +ATOM 3889 C CG . HIS B 1 138 ? 46.576 -5.770 50.207 1.00 30.83 ? 138 HIS B CG 1 +ATOM 3890 N ND1 . HIS B 1 138 ? 47.487 -4.719 50.031 1.00 26.00 ? 138 HIS B ND1 1 +ATOM 3891 C CD2 . HIS B 1 138 ? 47.296 -6.946 50.412 1.00 18.73 ? 138 HIS B CD2 1 +ATOM 3892 C CE1 . HIS B 1 138 ? 48.722 -5.261 50.083 1.00 26.08 ? 138 HIS B CE1 1 +ATOM 3893 N NE2 . HIS B 1 138 ? 48.645 -6.594 50.318 1.00 23.83 ? 138 HIS B NE2 1 +ATOM 3894 N N . VAL B 1 139 ? 46.285 -3.736 52.603 1.00 19.58 ? 139 VAL B N 1 +ATOM 3895 C CA . VAL B 1 139 ? 47.111 -2.591 52.892 1.00 15.58 ? 139 VAL B CA 1 +ATOM 3896 C C . VAL B 1 139 ? 48.544 -3.066 52.718 1.00 35.33 ? 139 VAL B C 1 +ATOM 3897 O O . VAL B 1 139 ? 48.874 -4.104 53.267 1.00 30.43 ? 139 VAL B O 1 +ATOM 3898 C CB . VAL B 1 139 ? 46.871 -2.021 54.287 1.00 21.33 ? 139 VAL B CB 1 +ATOM 3899 C CG1 . VAL B 1 139 ? 47.759 -0.779 54.462 1.00 21.81 ? 139 VAL B CG1 1 +ATOM 3900 C CG2 . VAL B 1 139 ? 45.399 -1.663 54.450 1.00 16.23 ? 139 VAL B CG2 1 +ATOM 3901 N N . PRO B 1 140 ? 49.367 -2.336 51.938 1.00 28.67 ? 140 PRO B N 1 +ATOM 3902 C CA . PRO B 1 140 ? 48.971 -1.105 51.283 1.00 22.20 ? 140 PRO B CA 1 +ATOM 3903 C C . PRO B 1 140 ? 47.860 -1.237 50.284 1.00 23.79 ? 140 PRO B C 1 +ATOM 3904 O O . PRO B 1 140 ? 47.562 -2.314 49.733 1.00 20.67 ? 140 PRO B O 1 +ATOM 3905 C CB . PRO B 1 140 ? 50.213 -0.554 50.567 1.00 27.31 ? 140 PRO B CB 1 +ATOM 3906 C CG . PRO B 1 140 ? 51.382 -1.472 50.886 1.00 22.86 ? 140 PRO B CG 1 +ATOM 3907 C CD . PRO B 1 140 ? 50.850 -2.553 51.820 1.00 20.89 ? 140 PRO B CD 1 +ATOM 3908 N N . SER B 1 141 ? 47.271 -0.084 50.033 1.00 20.38 ? 141 SER B N 1 +ATOM 3909 C CA . SER B 1 141 ? 46.179 -0.049 49.108 1.00 21.42 ? 141 SER B CA 1 +ATOM 3910 C C . SER B 1 141 ? 46.581 -0.175 47.653 1.00 30.10 ? 141 SER B C 1 +ATOM 3911 O O . SER B 1 141 ? 47.601 0.355 47.239 1.00 27.10 ? 141 SER B O 1 +ATOM 3912 C CB . SER B 1 141 ? 45.340 1.205 49.279 1.00 20.25 ? 141 SER B CB 1 +ATOM 3913 O OG . SER B 1 141 ? 45.263 1.435 50.666 1.00 20.54 ? 141 SER B OG 1 +ATOM 3914 N N . ARG B 1 142 ? 45.722 -0.898 46.923 1.00 18.00 ? 142 ARG B N 1 +ATOM 3915 C CA . ARG B 1 142 ? 45.698 -1.111 45.509 1.00 15.45 ? 142 ARG B CA 1 +ATOM 3916 C C . ARG B 1 142 ? 44.764 -0.032 44.962 1.00 20.03 ? 142 ARG B C 1 +ATOM 3917 O O . ARG B 1 142 ? 43.543 -0.006 45.199 1.00 23.08 ? 142 ARG B O 1 +ATOM 3918 C CB . ARG B 1 142 ? 45.239 -2.514 45.152 1.00 15.55 ? 142 ARG B CB 1 +ATOM 3919 C CG . ARG B 1 142 ? 46.098 -3.559 45.878 1.00 27.14 ? 142 ARG B CG 1 +ATOM 3920 C CD . ARG B 1 142 ? 45.763 -4.986 45.486 1.00 33.14 ? 142 ARG B CD 1 +ATOM 3921 N NE . ARG B 1 142 ? 46.817 -5.946 45.808 1.00 75.53 ? 142 ARG B NE 1 +ATOM 3922 C CZ . ARG B 1 142 ? 46.610 -7.119 46.397 1.00 25.83 ? 142 ARG B CZ 1 +ATOM 3923 N NH1 . ARG B 1 142 ? 45.388 -7.536 46.774 1.00 33.47 ? 142 ARG B NH1 1 +ATOM 3924 N NH2 . ARG B 1 142 ? 47.662 -7.902 46.607 1.00 33.25 ? 142 ARG B NH2 1 +ATOM 3925 N N . THR B 1 143 ? 45.390 0.912 44.259 1.00 23.60 ? 143 THR B N 1 +ATOM 3926 C CA . THR B 1 143 ? 44.701 2.069 43.719 1.00 17.69 ? 143 THR B CA 1 +ATOM 3927 C C . THR B 1 143 ? 44.613 2.101 42.222 1.00 28.52 ? 143 THR B C 1 +ATOM 3928 O O . THR B 1 143 ? 45.128 1.257 41.527 1.00 25.32 ? 143 THR B O 1 +ATOM 3929 C CB . THR B 1 143 ? 45.473 3.318 44.148 1.00 16.55 ? 143 THR B CB 1 +ATOM 3930 O OG1 . THR B 1 143 ? 46.797 3.257 43.612 1.00 20.92 ? 143 THR B OG1 1 +ATOM 3931 C CG2 . THR B 1 143 ? 45.582 3.331 45.659 1.00 17.96 ? 143 THR B CG2 1 +ATOM 3932 N N . ILE B 1 144 ? 43.957 3.133 41.734 1.00 13.58 ? 144 ILE B N 1 +ATOM 3933 C CA . ILE B 1 144 ? 43.847 3.308 40.324 1.00 11.15 ? 144 ILE B CA 1 +ATOM 3934 C C . ILE B 1 144 ? 45.101 4.033 39.752 1.00 30.43 ? 144 ILE B C 1 +ATOM 3935 O O . ILE B 1 144 ? 45.732 3.603 38.778 1.00 33.95 ? 144 ILE B O 1 +ATOM 3936 C CB . ILE B 1 144 ? 42.590 4.138 40.065 1.00 17.27 ? 144 ILE B CB 1 +ATOM 3937 C CG1 . ILE B 1 144 ? 41.380 3.343 40.479 1.00 13.26 ? 144 ILE B CG1 1 +ATOM 3938 C CG2 . ILE B 1 144 ? 42.462 4.493 38.588 1.00 28.14 ? 144 ILE B CG2 1 +ATOM 3939 C CD1 . ILE B 1 144 ? 40.182 4.251 40.732 1.00 28.17 ? 144 ILE B CD1 1 +ATOM 3940 N N . THR B 1 145 ? 45.477 5.152 40.372 1.00 20.55 ? 145 THR B N 1 +ATOM 3941 C CA . THR B 1 145 ? 46.590 5.972 39.926 1.00 18.36 ? 145 THR B CA 1 +ATOM 3942 C C . THR B 1 145 ? 47.910 5.622 40.586 1.00 25.64 ? 145 THR B C 1 +ATOM 3943 O O . THR B 1 145 ? 48.914 6.234 40.268 1.00 30.60 ? 145 THR B O 1 +ATOM 3944 C CB . THR B 1 145 ? 46.365 7.502 40.179 1.00 27.61 ? 145 THR B CB 1 +ATOM 3945 O OG1 . THR B 1 145 ? 46.485 7.795 41.551 1.00 18.77 ? 145 THR B OG1 1 +ATOM 3946 C CG2 . THR B 1 145 ? 44.996 7.954 39.675 1.00 18.50 ? 145 THR B CG2 1 +ATOM 3947 N N . GLY B 1 146 ? 47.924 4.726 41.552 1.00 19.41 ? 146 GLY B N 1 +ATOM 3948 C CA . GLY B 1 146 ? 49.173 4.374 42.210 1.00 12.68 ? 146 GLY B CA 1 +ATOM 3949 C C . GLY B 1 146 ? 49.407 5.077 43.526 1.00 17.33 ? 146 GLY B C 1 +ATOM 3950 O O . GLY B 1 146 ? 50.378 4.737 44.247 1.00 19.67 ? 146 GLY B O 1 +ATOM 3951 N N . SER B 1 147 ? 48.535 6.038 43.862 1.00 23.81 ? 147 SER B N 1 +ATOM 3952 C CA . SER B 1 147 ? 48.662 6.730 45.124 1.00 20.46 ? 147 SER B CA 1 +ATOM 3953 C C . SER B 1 147 ? 47.277 7.004 45.709 1.00 17.91 ? 147 SER B C 1 +ATOM 3954 O O . SER B 1 147 ? 46.330 7.467 45.017 1.00 13.50 ? 147 SER B O 1 +ATOM 3955 C CB . SER B 1 147 ? 49.480 7.989 44.897 1.00 28.82 ? 147 SER B CB 1 +ATOM 3956 O OG . SER B 1 147 ? 49.172 8.961 45.849 1.00 19.84 ? 147 SER B OG 1 +ATOM 3957 N N . VAL B 1 148 ? 47.139 6.696 46.975 1.00 12.90 ? 148 VAL B N 1 +ATOM 3958 C CA . VAL B 1 148 ? 45.848 6.923 47.616 1.00 15.18 ? 148 VAL B CA 1 +ATOM 3959 C C . VAL B 1 148 ? 45.532 8.401 47.555 1.00 14.11 ? 148 VAL B C 1 +ATOM 3960 O O . VAL B 1 148 ? 44.424 8.796 47.225 1.00 18.16 ? 148 VAL B O 1 +ATOM 3961 C CB . VAL B 1 148 ? 45.843 6.473 49.054 1.00 17.91 ? 148 VAL B CB 1 +ATOM 3962 C CG1 . VAL B 1 148 ? 44.621 6.981 49.798 1.00 21.49 ? 148 VAL B CG1 1 +ATOM 3963 C CG2 . VAL B 1 148 ? 45.898 4.956 49.167 1.00 18.51 ? 148 VAL B CG2 1 +ATOM 3964 N N . GLU B 1 149 ? 46.563 9.215 47.823 1.00 12.72 ? 149 GLU B N 1 +ATOM 3965 C CA . GLU B 1 149 ? 46.426 10.649 47.817 1.00 10.32 ? 149 GLU B CA 1 +ATOM 3966 C C . GLU B 1 149 ? 45.981 11.111 46.419 1.00 23.80 ? 149 GLU B C 1 +ATOM 3967 O O . GLU B 1 149 ? 45.090 11.944 46.270 1.00 20.40 ? 149 GLU B O 1 +ATOM 3968 C CB . GLU B 1 149 ? 47.754 11.289 48.265 1.00 6.31 ? 149 GLU B CB 1 +ATOM 3969 C CG . GLU B 1 149 ? 47.681 12.837 48.383 1.00 10.83 ? 149 GLU B CG 1 +ATOM 3970 C CD . GLU B 1 149 ? 48.867 13.540 49.046 1.00 16.14 ? 149 GLU B CD 1 +ATOM 3971 O OE1 . GLU B 1 149 ? 49.630 14.324 48.471 1.00 25.14 ? 149 GLU B OE1 1 +ATOM 3972 O OE2 . GLU B 1 149 ? 49.006 13.242 50.307 1.00 31.04 ? 149 GLU B OE2 1 +ATOM 3973 N N . LYS B 1 150 ? 46.588 10.517 45.386 1.00 11.56 ? 150 LYS B N 1 +ATOM 3974 C CA . LYS B 1 150 ? 46.272 10.838 44.028 1.00 8.29 ? 150 LYS B CA 1 +ATOM 3975 C C . LYS B 1 150 ? 44.873 10.383 43.621 1.00 8.80 ? 150 LYS B C 1 +ATOM 3976 O O . LYS B 1 150 ? 44.114 11.155 42.993 1.00 22.83 ? 150 LYS B O 1 +ATOM 3977 C CB . LYS B 1 150 ? 47.331 10.339 43.082 1.00 13.24 ? 150 LYS B CB 1 +ATOM 3978 C CG . LYS B 1 150 ? 47.291 11.064 41.764 1.00 34.04 ? 150 LYS B CG 1 +ATOM 3979 C CD . LYS B 1 150 ? 48.562 10.839 40.967 1.00 25.19 ? 150 LYS B CD 1 +ATOM 3980 C CE . LYS B 1 150 ? 48.601 11.486 39.585 1.00 60.81 ? 150 LYS B CE 1 +ATOM 3981 N NZ . LYS B 1 150 ? 49.747 11.011 38.765 1.00 26.75 ? 150 LYS B NZ 1 +ATOM 3982 N N . ASP B 1 151 ? 44.523 9.156 43.973 1.00 11.34 ? 151 ASP B N 1 +ATOM 3983 C CA . ASP B 1 151 ? 43.212 8.715 43.598 1.00 9.52 ? 151 ASP B CA 1 +ATOM 3984 C C . ASP B 1 151 ? 42.117 9.637 44.139 1.00 22.99 ? 151 ASP B C 1 +ATOM 3985 O O . ASP B 1 151 ? 41.224 9.991 43.381 1.00 24.76 ? 151 ASP B O 1 +ATOM 3986 C CB . ASP B 1 151 ? 42.978 7.321 44.088 1.00 9.14 ? 151 ASP B CB 1 +ATOM 3987 C CG . ASP B 1 151 ? 43.604 6.332 43.202 1.00 27.32 ? 151 ASP B CG 1 +ATOM 3988 O OD1 . ASP B 1 151 ? 44.521 6.608 42.443 1.00 18.77 ? 151 ASP B OD1 1 +ATOM 3989 O OD2 . ASP B 1 151 ? 43.065 5.149 43.396 1.00 10.77 ? 151 ASP B OD2 1 +ATOM 3990 N N . VAL B 1 152 ? 42.187 10.015 45.433 1.00 15.83 ? 152 VAL B N 1 +ATOM 3991 C CA . VAL B 1 152 ? 41.182 10.890 46.065 1.00 18.25 ? 152 VAL B CA 1 +ATOM 3992 C C . VAL B 1 152 ? 41.212 12.304 45.493 1.00 24.10 ? 152 VAL B C 1 +ATOM 3993 O O . VAL B 1 152 ? 40.189 13.001 45.369 1.00 18.42 ? 152 VAL B O 1 +ATOM 3994 C CB . VAL B 1 152 ? 41.354 10.937 47.583 1.00 12.40 ? 152 VAL B CB 1 +ATOM 3995 C CG1 . VAL B 1 152 ? 40.276 11.713 48.316 1.00 6.87 ? 152 VAL B CG1 1 +ATOM 3996 C CG2 . VAL B 1 152 ? 41.500 9.554 48.166 1.00 10.99 ? 152 VAL B CG2 1 +ATOM 3997 N N . ALA B 1 153 ? 42.429 12.748 45.142 1.00 17.29 ? 153 ALA B N 1 +ATOM 3998 C CA . ALA B 1 153 ? 42.475 14.088 44.590 1.00 14.12 ? 153 ALA B CA 1 +ATOM 3999 C C . ALA B 1 153 ? 41.954 14.193 43.170 1.00 23.68 ? 153 ALA B C 1 +ATOM 4000 O O . ALA B 1 153 ? 41.191 15.096 42.805 1.00 19.30 ? 153 ALA B O 1 +ATOM 4001 C CB . ALA B 1 153 ? 43.838 14.738 44.716 1.00 15.04 ? 153 ALA B CB 1 +ATOM 4002 N N . ILE B 1 154 ? 42.364 13.260 42.341 1.00 17.63 ? 154 ILE B N 1 +ATOM 4003 C CA . ILE B 1 154 ? 41.976 13.389 40.981 1.00 22.51 ? 154 ILE B CA 1 +ATOM 4004 C C . ILE B 1 154 ? 40.867 12.571 40.394 1.00 23.54 ? 154 ILE B C 1 +ATOM 4005 O O . ILE B 1 154 ? 40.431 12.924 39.323 1.00 20.63 ? 154 ILE B O 1 +ATOM 4006 C CB . ILE B 1 154 ? 43.196 13.326 40.100 1.00 34.07 ? 154 ILE B CB 1 +ATOM 4007 C CG1 . ILE B 1 154 ? 43.542 11.888 39.769 1.00 24.91 ? 154 ILE B CG1 1 +ATOM 4008 C CG2 . ILE B 1 154 ? 44.405 14.088 40.687 1.00 20.63 ? 154 ILE B CG2 1 +ATOM 4009 C CD1 . ILE B 1 154 ? 44.596 11.970 38.674 1.00 20.71 ? 154 ILE B CD1 1 +ATOM 4010 N N . ILE B 1 155 ? 40.443 11.486 41.020 1.00 27.02 ? 155 ILE B N 1 +ATOM 4011 C CA . ILE B 1 155 ? 39.343 10.719 40.427 1.00 10.84 ? 155 ILE B CA 1 +ATOM 4012 C C . ILE B 1 155 ? 38.099 11.279 41.000 1.00 19.81 ? 155 ILE B C 1 +ATOM 4013 O O . ILE B 1 155 ? 37.886 11.229 42.218 1.00 17.05 ? 155 ILE B O 1 +ATOM 4014 C CB . ILE B 1 155 ? 39.400 9.232 40.679 1.00 14.84 ? 155 ILE B CB 1 +ATOM 4015 C CG1 . ILE B 1 155 ? 40.817 8.744 40.360 1.00 14.57 ? 155 ILE B CG1 1 +ATOM 4016 C CG2 . ILE B 1 155 ? 38.310 8.449 39.873 1.00 11.60 ? 155 ILE B CG2 1 +ATOM 4017 C CD1 . ILE B 1 155 ? 41.189 8.968 38.909 1.00 24.71 ? 155 ILE B CD1 1 +ATOM 4018 N N . ASP B 1 156 ? 37.307 11.876 40.113 1.00 12.57 ? 156 ASP B N 1 +ATOM 4019 C CA . ASP B 1 156 ? 36.100 12.497 40.575 1.00 8.90 ? 156 ASP B CA 1 +ATOM 4020 C C . ASP B 1 156 ? 35.208 11.712 41.522 1.00 22.43 ? 156 ASP B C 1 +ATOM 4021 O O . ASP B 1 156 ? 34.769 12.274 42.501 1.00 18.59 ? 156 ASP B O 1 +ATOM 4022 C CB . ASP B 1 156 ? 35.277 13.194 39.479 1.00 8.43 ? 156 ASP B CB 1 +ATOM 4023 C CG . ASP B 1 156 ? 34.529 12.204 38.657 1.00 33.44 ? 156 ASP B CG 1 +ATOM 4024 O OD1 . ASP B 1 156 ? 34.998 11.130 38.367 1.00 30.63 ? 156 ASP B OD1 1 +ATOM 4025 O OD2 . ASP B 1 156 ? 33.334 12.637 38.343 1.00 26.58 ? 156 ASP B OD2 1 +ATOM 4026 N N . ARG B 1 157 ? 34.910 10.462 41.214 1.00 14.77 ? 157 ARG B N 1 +ATOM 4027 C CA . ARG B 1 157 ? 34.012 9.665 42.077 1.00 21.07 ? 157 ARG B CA 1 +ATOM 4028 C C . ARG B 1 157 ? 34.603 9.079 43.383 1.00 22.64 ? 157 ARG B C 1 +ATOM 4029 O O . ARG B 1 157 ? 33.900 8.466 44.203 1.00 10.68 ? 157 ARG B O 1 +ATOM 4030 C CB . ARG B 1 157 ? 33.359 8.566 41.248 1.00 17.95 ? 157 ARG B CB 1 +ATOM 4031 C CG . ARG B 1 157 ? 32.568 9.043 40.037 1.00 24.63 ? 157 ARG B CG 1 +ATOM 4032 C CD . ARG B 1 157 ? 31.880 10.406 40.199 1.00 23.18 ? 157 ARG B CD 1 +ATOM 4033 N NE . ARG B 1 157 ? 30.619 10.257 40.889 1.00 30.16 ? 157 ARG B NE 1 +ATOM 4034 C CZ . ARG B 1 157 ? 29.866 11.234 41.361 1.00 28.03 ? 157 ARG B CZ 1 +ATOM 4035 N NH1 . ARG B 1 157 ? 30.214 12.495 41.217 1.00 34.89 ? 157 ARG B NH1 1 +ATOM 4036 N NH2 . ARG B 1 157 ? 28.736 10.913 42.011 1.00 19.95 ? 157 ARG B NH2 1 +ATOM 4037 N N . VAL B 1 158 ? 35.909 9.204 43.572 1.00 19.40 ? 158 VAL B N 1 +ATOM 4038 C CA . VAL B 1 158 ? 36.531 8.633 44.748 1.00 10.74 ? 158 VAL B CA 1 +ATOM 4039 C C . VAL B 1 158 ? 36.443 9.671 45.844 1.00 28.88 ? 158 VAL B C 1 +ATOM 4040 O O . VAL B 1 158 ? 36.816 10.794 45.597 1.00 14.77 ? 158 VAL B O 1 +ATOM 4041 C CB . VAL B 1 158 ? 37.989 8.265 44.464 1.00 19.53 ? 158 VAL B CB 1 +ATOM 4042 C CG1 . VAL B 1 158 ? 38.709 7.964 45.764 1.00 19.92 ? 158 VAL B CG1 1 +ATOM 4043 C CG2 . VAL B 1 158 ? 38.118 7.027 43.569 1.00 14.26 ? 158 VAL B CG2 1 +ATOM 4044 N N . ILE B 1 159 ? 35.949 9.288 47.029 1.00 19.26 ? 159 ILE B N 1 +ATOM 4045 C CA . ILE B 1 159 ? 35.814 10.195 48.164 1.00 11.15 ? 159 ILE B CA 1 +ATOM 4046 C C . ILE B 1 159 ? 36.647 9.790 49.382 1.00 13.69 ? 159 ILE B C 1 +ATOM 4047 O O . ILE B 1 159 ? 36.636 10.469 50.412 1.00 17.05 ? 159 ILE B O 1 +ATOM 4048 C CB . ILE B 1 159 ? 34.347 10.355 48.562 1.00 17.18 ? 159 ILE B CB 1 +ATOM 4049 C CG1 . ILE B 1 159 ? 33.719 9.020 48.897 1.00 16.82 ? 159 ILE B CG1 1 +ATOM 4050 C CG2 . ILE B 1 159 ? 33.527 10.918 47.391 1.00 16.64 ? 159 ILE B CG2 1 +ATOM 4051 C CD1 . ILE B 1 159 ? 32.312 9.227 49.459 1.00 12.07 ? 159 ILE B CD1 1 +ATOM 4052 N N . GLY B 1 160 ? 37.386 8.684 49.264 1.00 20.73 ? 160 GLY B N 1 +ATOM 4053 C CA . GLY B 1 160 ? 38.163 8.201 50.380 1.00 9.05 ? 160 GLY B CA 1 +ATOM 4054 C C . GLY B 1 160 ? 38.690 6.816 50.158 1.00 14.22 ? 160 GLY B C 1 +ATOM 4055 O O . GLY B 1 160 ? 38.715 6.279 49.032 1.00 14.67 ? 160 GLY B O 1 +ATOM 4056 N N . VAL B 1 161 ? 39.159 6.240 51.247 1.00 21.46 ? 161 VAL B N 1 +ATOM 4057 C CA . VAL B 1 161 ? 39.794 4.936 51.216 1.00 12.03 ? 161 VAL B CA 1 +ATOM 4058 C C . VAL B 1 161 ? 39.263 3.944 52.209 1.00 14.43 ? 161 VAL B C 1 +ATOM 4059 O O . VAL B 1 161 ? 38.817 4.307 53.290 1.00 19.97 ? 161 VAL B O 1 +ATOM 4060 C CB . VAL B 1 161 ? 41.324 5.037 51.267 1.00 11.83 ? 161 VAL B CB 1 +ATOM 4061 C CG1 . VAL B 1 161 ? 41.759 5.426 52.710 1.00 7.24 ? 161 VAL B CG1 1 +ATOM 4062 C CG2 . VAL B 1 161 ? 41.993 3.711 50.828 1.00 14.97 ? 161 VAL B CG2 1 +HETATM 4063 N N . KCX B 1 162 ? 39.307 2.675 51.776 1.00 12.79 ? 162 KCX B N 1 +HETATM 4064 C CA . KCX B 1 162 ? 38.832 1.613 52.619 1.00 8.27 ? 162 KCX B CA 1 +HETATM 4065 C CB . KCX B 1 162 ? 37.892 0.786 51.753 1.00 30.62 ? 162 KCX B CB 1 +HETATM 4066 C CG . KCX B 1 162 ? 37.659 -0.630 52.253 1.00 38.69 ? 162 KCX B CG 1 +HETATM 4067 C CD . KCX B 1 162 ? 36.525 -0.695 53.252 1.00 39.39 ? 162 KCX B CD 1 +HETATM 4068 C CE . KCX B 1 162 ? 36.313 -2.064 53.838 1.00 41.41 ? 162 KCX B CE 1 +HETATM 4069 N NZ . KCX B 1 162 ? 35.437 -2.863 52.983 1.00 52.94 ? 162 KCX B NZ 1 +HETATM 4070 C C . KCX B 1 162 ? 39.993 0.744 53.045 1.00 15.24 ? 162 KCX B C 1 +HETATM 4071 O O . KCX B 1 162 ? 40.949 0.615 52.285 1.00 23.38 ? 162 KCX B O 1 +HETATM 4072 C CX . KCX B 1 162 ? 34.533 -3.680 53.798 1.00 37.18 ? 162 KCX B CX 1 +HETATM 4073 O OQ1 . KCX B 1 162 ? 33.860 -4.526 53.061 1.00 27.69 ? 162 KCX B OQ1 1 +HETATM 4074 O OQ2 . KCX B 1 162 ? 34.427 -3.575 55.015 1.00 45.72 ? 162 KCX B OQ2 1 +ATOM 4075 N N . CYS B 1 163 ? 39.877 0.113 54.220 1.00 16.96 ? 163 CYS B N 1 +ATOM 4076 C CA . CYS B 1 163 ? 40.874 -0.831 54.700 1.00 15.68 ? 163 CYS B CA 1 +ATOM 4077 C C . CYS B 1 163 ? 40.342 -1.892 55.694 1.00 21.42 ? 163 CYS B C 1 +ATOM 4078 O O . CYS B 1 163 ? 39.228 -1.822 56.201 1.00 28.26 ? 163 CYS B O 1 +ATOM 4079 C CB . CYS B 1 163 ? 42.128 -0.182 55.194 1.00 22.35 ? 163 CYS B CB 1 +ATOM 4080 S SG . CYS B 1 163 ? 41.834 0.405 56.857 1.00 26.03 ? 163 CYS B SG 1 +ATOM 4081 N N . ALA B 1 164 ? 41.124 -2.942 55.952 1.00 15.18 ? 164 ALA B N 1 +ATOM 4082 C CA . ALA B 1 164 ? 40.689 -3.965 56.936 1.00 12.48 ? 164 ALA B CA 1 +ATOM 4083 C C . ALA B 1 164 ? 41.624 -4.044 58.139 1.00 25.02 ? 164 ALA B C 1 +ATOM 4084 O O . ALA B 1 164 ? 42.811 -4.150 57.959 1.00 25.56 ? 164 ALA B O 1 +ATOM 4085 C CB . ALA B 1 164 ? 40.574 -5.359 56.366 1.00 12.00 ? 164 ALA B CB 1 +ATOM 4086 N N . ILE B 1 165 ? 41.089 -3.994 59.366 1.00 31.08 ? 165 ILE B N 1 +ATOM 4087 C CA . ILE B 1 165 ? 41.900 -4.115 60.562 1.00 26.68 ? 165 ILE B CA 1 +ATOM 4088 C C . ILE B 1 165 ? 41.208 -5.131 61.463 1.00 31.39 ? 165 ILE B C 1 +ATOM 4089 O O . ILE B 1 165 ? 40.021 -5.449 61.259 1.00 24.89 ? 165 ILE B O 1 +ATOM 4090 C CB . ILE B 1 165 ? 42.178 -2.790 61.325 1.00 24.88 ? 165 ILE B CB 1 +ATOM 4091 C CG1 . ILE B 1 165 ? 40.886 -2.052 61.670 1.00 26.62 ? 165 ILE B CG1 1 +ATOM 4092 C CG2 . ILE B 1 165 ? 43.160 -1.865 60.589 1.00 16.09 ? 165 ILE B CG2 1 +ATOM 4093 C CD1 . ILE B 1 165 ? 41.075 -0.975 62.735 1.00 17.23 ? 165 ILE B CD1 1 +ATOM 4094 N N . SER B 1 166 ? 41.951 -5.615 62.455 1.00 20.19 ? 166 SER B N 1 +ATOM 4095 C CA . SER B 1 166 ? 41.416 -6.554 63.427 1.00 22.10 ? 166 SER B CA 1 +ATOM 4096 C C . SER B 1 166 ? 40.537 -7.616 62.819 1.00 34.69 ? 166 SER B C 1 +ATOM 4097 O O . SER B 1 166 ? 39.440 -7.866 63.310 1.00 40.15 ? 166 SER B O 1 +ATOM 4098 C CB . SER B 1 166 ? 40.659 -5.804 64.507 1.00 30.89 ? 166 SER B CB 1 +ATOM 4099 O OG . SER B 1 166 ? 41.534 -4.771 64.931 1.00 23.06 ? 166 SER B OG 1 +ATOM 4100 N N . ASP B 1 167 ? 41.060 -8.218 61.769 1.00 21.50 ? 167 ASP B N 1 +ATOM 4101 C CA . ASP B 1 167 ? 40.394 -9.263 61.042 1.00 30.25 ? 167 ASP B CA 1 +ATOM 4102 C C . ASP B 1 167 ? 41.396 -10.326 60.529 1.00 39.41 ? 167 ASP B C 1 +ATOM 4103 O O . ASP B 1 167 ? 42.502 -10.022 60.062 1.00 25.76 ? 167 ASP B O 1 +ATOM 4104 C CB . ASP B 1 167 ? 39.519 -8.661 59.911 1.00 29.10 ? 167 ASP B CB 1 +ATOM 4105 C CG . ASP B 1 167 ? 38.744 -9.712 59.149 1.00 21.29 ? 167 ASP B CG 1 +ATOM 4106 O OD1 . ASP B 1 167 ? 39.281 -10.582 58.487 1.00 33.11 ? 167 ASP B OD1 1 +ATOM 4107 O OD2 . ASP B 1 167 ? 37.451 -9.592 59.317 1.00 21.39 ? 167 ASP B OD2 1 +ATOM 4108 N N . HIS B 1 168 ? 41.004 -11.590 60.644 1.00 23.41 ? 168 HIS B N 1 +ATOM 4109 C CA . HIS B 1 168 ? 41.854 -12.694 60.216 1.00 28.34 ? 168 HIS B CA 1 +ATOM 4110 C C . HIS B 1 168 ? 42.051 -12.656 58.693 1.00 41.82 ? 168 HIS B C 1 +ATOM 4111 O O . HIS B 1 168 ? 42.720 -13.507 58.111 1.00 33.32 ? 168 HIS B O 1 +ATOM 4112 C CB . HIS B 1 168 ? 41.333 -14.082 60.683 1.00 20.36 ? 168 HIS B CB 1 +ATOM 4113 C CG . HIS B 1 168 ? 40.075 -14.388 59.937 1.00 29.62 ? 168 HIS B CG 1 +ATOM 4114 N ND1 . HIS B 1 168 ? 38.830 -14.217 60.508 1.00 38.50 ? 168 HIS B ND1 1 +ATOM 4115 C CD2 . HIS B 1 168 ? 39.892 -14.785 58.657 1.00 29.93 ? 168 HIS B CD2 1 +ATOM 4116 C CE1 . HIS B 1 168 ? 37.934 -14.526 59.580 1.00 32.25 ? 168 HIS B CE1 1 +ATOM 4117 N NE2 . HIS B 1 168 ? 38.545 -14.860 58.448 1.00 27.07 ? 168 HIS B NE2 1 +ATOM 4118 N N . ARG B 1 169 ? 41.430 -11.676 58.028 1.00 21.66 ? 169 ARG B N 1 +ATOM 4119 C CA . ARG B 1 169 ? 41.577 -11.546 56.572 1.00 16.28 ? 169 ARG B CA 1 +ATOM 4120 C C . ARG B 1 169 ? 42.311 -10.244 56.197 1.00 30.34 ? 169 ARG B C 1 +ATOM 4121 O O . ARG B 1 169 ? 42.365 -9.794 55.046 1.00 23.86 ? 169 ARG B O 1 +ATOM 4122 C CB . ARG B 1 169 ? 40.222 -11.489 55.940 1.00 13.24 ? 169 ARG B CB 1 +ATOM 4123 C CG . ARG B 1 169 ? 39.450 -12.811 56.068 1.00 23.03 ? 169 ARG B CG 1 +ATOM 4124 C CD . ARG B 1 169 ? 37.982 -12.539 55.737 1.00 19.94 ? 169 ARG B CD 1 +ATOM 4125 N NE . ARG B 1 169 ? 37.446 -11.596 56.723 1.00 54.23 ? 169 ARG B NE 1 +ATOM 4126 C CZ . ARG B 1 169 ? 36.169 -11.236 56.822 1.00 31.41 ? 169 ARG B CZ 1 +ATOM 4127 N NH1 . ARG B 1 169 ? 35.238 -11.686 55.982 1.00 37.50 ? 169 ARG B NH1 1 +ATOM 4128 N NH2 . ARG B 1 169 ? 35.824 -10.359 57.756 1.00 43.24 ? 169 ARG B NH2 1 +ATOM 4129 N N . SER B 1 170 ? 42.890 -9.610 57.196 1.00 13.25 ? 170 SER B N 1 +ATOM 4130 C CA . SER B 1 170 ? 43.596 -8.358 56.964 1.00 22.59 ? 170 SER B CA 1 +ATOM 4131 C C . SER B 1 170 ? 44.960 -8.645 56.375 1.00 27.28 ? 170 SER B C 1 +ATOM 4132 O O . SER B 1 170 ? 45.393 -9.782 56.225 1.00 23.31 ? 170 SER B O 1 +ATOM 4133 C CB . SER B 1 170 ? 43.787 -7.620 58.275 1.00 16.27 ? 170 SER B CB 1 +ATOM 4134 O OG . SER B 1 170 ? 44.913 -8.171 58.936 1.00 25.34 ? 170 SER B OG 1 +ATOM 4135 N N . ALA B 1 171 ? 45.689 -7.606 56.075 1.00 35.41 ? 171 ALA B N 1 +ATOM 4136 C CA . ALA B 1 171 ? 47.004 -7.789 55.498 1.00 31.00 ? 171 ALA B CA 1 +ATOM 4137 C C . ALA B 1 171 ? 48.080 -7.587 56.530 1.00 26.68 ? 171 ALA B C 1 +ATOM 4138 O O . ALA B 1 171 ? 49.204 -7.331 56.156 1.00 17.75 ? 171 ALA B O 1 +ATOM 4139 C CB . ALA B 1 171 ? 47.212 -6.743 54.405 1.00 27.24 ? 171 ALA B CB 1 +ATOM 4140 N N . ALA B 1 172 ? 47.708 -7.640 57.805 1.00 26.49 ? 172 ALA B N 1 +ATOM 4141 C CA . ALA B 1 172 ? 48.679 -7.435 58.889 1.00 28.64 ? 172 ALA B CA 1 +ATOM 4142 C C . ALA B 1 172 ? 49.406 -6.077 58.823 1.00 33.28 ? 172 ALA B C 1 +ATOM 4143 O O . ALA B 1 172 ? 50.621 -5.995 59.053 1.00 40.72 ? 172 ALA B O 1 +ATOM 4144 C CB . ALA B 1 172 ? 49.641 -8.622 58.883 1.00 18.02 ? 172 ALA B CB 1 +ATOM 4145 N N . PRO B 1 173 ? 48.661 -4.998 58.542 1.00 23.43 ? 173 PRO B N 1 +ATOM 4146 C CA . PRO B 1 173 ? 49.250 -3.661 58.445 1.00 30.09 ? 173 PRO B CA 1 +ATOM 4147 C C . PRO B 1 173 ? 49.796 -3.157 59.768 1.00 38.11 ? 173 PRO B C 1 +ATOM 4148 O O . PRO B 1 173 ? 49.258 -3.495 60.814 1.00 21.83 ? 173 PRO B O 1 +ATOM 4149 C CB . PRO B 1 173 ? 48.082 -2.727 58.098 1.00 28.47 ? 173 PRO B CB 1 +ATOM 4150 C CG . PRO B 1 173 ? 46.823 -3.460 58.581 1.00 31.51 ? 173 PRO B CG 1 +ATOM 4151 C CD . PRO B 1 173 ? 47.160 -4.940 58.518 1.00 20.97 ? 173 PRO B CD 1 +ATOM 4152 N N . ASP B 1 174 ? 50.866 -2.356 59.702 1.00 33.74 ? 174 ASP B N 1 +ATOM 4153 C CA . ASP B 1 174 ? 51.445 -1.750 60.885 1.00 23.63 ? 174 ASP B CA 1 +ATOM 4154 C C . ASP B 1 174 ? 50.897 -0.332 61.007 1.00 41.40 ? 174 ASP B C 1 +ATOM 4155 O O . ASP B 1 174 ? 50.140 0.165 60.150 1.00 20.78 ? 174 ASP B O 1 +ATOM 4156 C CB . ASP B 1 174 ? 52.989 -1.783 60.957 1.00 23.15 ? 174 ASP B CB 1 +ATOM 4157 C CG . ASP B 1 174 ? 53.595 -1.052 59.808 1.00 31.39 ? 174 ASP B CG 1 +ATOM 4158 O OD1 . ASP B 1 174 ? 52.933 -0.546 58.933 1.00 39.70 ? 174 ASP B OD1 1 +ATOM 4159 O OD2 . ASP B 1 174 ? 54.897 -0.972 59.886 1.00 52.13 ? 174 ASP B OD2 1 +ATOM 4160 N N . VAL B 1 175 ? 51.268 0.330 62.079 1.00 22.97 ? 175 VAL B N 1 +ATOM 4161 C CA . VAL B 1 175 ? 50.712 1.625 62.258 1.00 17.24 ? 175 VAL B CA 1 +ATOM 4162 C C . VAL B 1 175 ? 51.175 2.616 61.228 1.00 20.31 ? 175 VAL B C 1 +ATOM 4163 O O . VAL B 1 175 ? 50.361 3.437 60.785 1.00 17.18 ? 175 VAL B O 1 +ATOM 4164 C CB . VAL B 1 175 ? 50.722 2.074 63.718 1.00 37.06 ? 175 VAL B CB 1 +ATOM 4165 C CG1 . VAL B 1 175 ? 52.168 2.113 64.179 1.00 49.27 ? 175 VAL B CG1 1 +ATOM 4166 C CG2 . VAL B 1 175 ? 50.050 3.427 63.965 1.00 35.31 ? 175 VAL B CG2 1 +ATOM 4167 N N . TYR B 1 176 ? 52.465 2.538 60.833 1.00 19.00 ? 176 TYR B N 1 +ATOM 4168 C CA . TYR B 1 176 ? 52.948 3.489 59.842 1.00 21.67 ? 176 TYR B CA 1 +ATOM 4169 C C . TYR B 1 176 ? 52.093 3.416 58.594 1.00 18.73 ? 176 TYR B C 1 +ATOM 4170 O O . TYR B 1 176 ? 51.576 4.406 58.070 1.00 20.62 ? 176 TYR B O 1 +ATOM 4171 C CB . TYR B 1 176 ? 54.444 3.374 59.482 1.00 30.64 ? 176 TYR B CB 1 +ATOM 4172 C CG . TYR B 1 176 ? 54.769 4.266 58.275 1.00 42.86 ? 176 TYR B CG 1 +ATOM 4173 C CD1 . TYR B 1 176 ? 54.615 5.653 58.373 1.00 45.36 ? 176 TYR B CD1 1 +ATOM 4174 C CD2 . TYR B 1 176 ? 55.141 3.728 57.038 1.00 40.06 ? 176 TYR B CD2 1 +ATOM 4175 C CE1 . TYR B 1 176 ? 54.852 6.507 57.293 1.00 39.25 ? 176 TYR B CE1 1 +ATOM 4176 C CE2 . TYR B 1 176 ? 55.410 4.565 55.954 1.00 47.49 ? 176 TYR B CE2 1 +ATOM 4177 C CZ . TYR B 1 176 ? 55.262 5.949 56.085 1.00 40.64 ? 176 TYR B CZ 1 +ATOM 4178 O OH . TYR B 1 176 ? 55.504 6.785 55.040 1.00 48.79 ? 176 TYR B OH 1 +ATOM 4179 N N . HIS B 1 177 ? 51.910 2.192 58.137 1.00 22.82 ? 177 HIS B N 1 +ATOM 4180 C CA . HIS B 1 177 ? 51.103 1.959 56.967 1.00 35.59 ? 177 HIS B CA 1 +ATOM 4181 C C . HIS B 1 177 ? 49.707 2.517 57.035 1.00 23.59 ? 177 HIS B C 1 +ATOM 4182 O O . HIS B 1 177 ? 49.249 3.199 56.127 1.00 18.48 ? 177 HIS B O 1 +ATOM 4183 C CB . HIS B 1 177 ? 51.134 0.503 56.546 1.00 43.72 ? 177 HIS B CB 1 +ATOM 4184 C CG . HIS B 1 177 ? 52.421 0.286 55.830 1.00 42.02 ? 177 HIS B CG 1 +ATOM 4185 N ND1 . HIS B 1 177 ? 53.421 -0.490 56.367 1.00 39.36 ? 177 HIS B ND1 1 +ATOM 4186 C CD2 . HIS B 1 177 ? 52.854 0.791 54.639 1.00 46.14 ? 177 HIS B CD2 1 +ATOM 4187 C CE1 . HIS B 1 177 ? 54.417 -0.458 55.487 1.00 39.75 ? 177 HIS B CE1 1 +ATOM 4188 N NE2 . HIS B 1 177 ? 54.107 0.303 54.440 1.00 40.08 ? 177 HIS B NE2 1 +ATOM 4189 N N . LEU B 1 178 ? 49.039 2.260 58.130 1.00 23.95 ? 178 LEU B N 1 +ATOM 4190 C CA . LEU B 1 178 ? 47.707 2.810 58.333 1.00 17.36 ? 178 LEU B CA 1 +ATOM 4191 C C . LEU B 1 178 ? 47.708 4.338 58.355 1.00 23.50 ? 178 LEU B C 1 +ATOM 4192 O O . LEU B 1 178 ? 46.918 4.984 57.637 1.00 26.25 ? 178 LEU B O 1 +ATOM 4193 C CB . LEU B 1 178 ? 47.161 2.328 59.677 1.00 19.61 ? 178 LEU B CB 1 +ATOM 4194 C CG . LEU B 1 178 ? 46.729 0.893 59.616 1.00 39.67 ? 178 LEU B CG 1 +ATOM 4195 C CD1 . LEU B 1 178 ? 46.110 0.531 60.955 1.00 53.02 ? 178 LEU B CD1 1 +ATOM 4196 C CD2 . LEU B 1 178 ? 45.702 0.761 58.502 1.00 29.77 ? 178 LEU B CD2 1 +ATOM 4197 N N . ALA B 1 179 ? 48.586 4.943 59.208 1.00 19.85 ? 179 ALA B N 1 +ATOM 4198 C CA . ALA B 1 179 ? 48.687 6.411 59.324 1.00 11.90 ? 179 ALA B CA 1 +ATOM 4199 C C . ALA B 1 179 ? 48.916 7.126 58.005 1.00 23.04 ? 179 ALA B C 1 +ATOM 4200 O O . ALA B 1 179 ? 48.273 8.123 57.644 1.00 22.26 ? 179 ALA B O 1 +ATOM 4201 C CB . ALA B 1 179 ? 49.901 6.740 60.178 1.00 22.04 ? 179 ALA B CB 1 +ATOM 4202 N N . ASN B 1 180 ? 49.910 6.615 57.294 1.00 15.93 ? 180 ASN B N 1 +ATOM 4203 C CA . ASN B 1 180 ? 50.223 7.192 56.040 1.00 18.42 ? 180 ASN B CA 1 +ATOM 4204 C C . ASN B 1 180 ? 49.008 7.131 55.050 1.00 31.67 ? 180 ASN B C 1 +ATOM 4205 O O . ASN B 1 180 ? 48.686 8.085 54.315 1.00 20.27 ? 180 ASN B O 1 +ATOM 4206 C CB . ASN B 1 180 ? 51.547 6.584 55.479 1.00 11.20 ? 180 ASN B CB 1 +ATOM 4207 C CG . ASN B 1 180 ? 51.707 6.986 53.997 1.00 61.65 ? 180 ASN B CG 1 +ATOM 4208 O OD1 . ASN B 1 180 ? 51.889 8.178 53.647 1.00 28.77 ? 180 ASN B OD1 1 +ATOM 4209 N ND2 . ASN B 1 180 ? 51.535 6.018 53.116 1.00 22.08 ? 180 ASN B ND2 1 +ATOM 4210 N N . MET B 1 181 ? 48.325 5.987 55.014 1.00 10.41 ? 181 MET B N 1 +ATOM 4211 C CA . MET B 1 181 ? 47.228 5.783 54.124 1.00 9.56 ? 181 MET B CA 1 +ATOM 4212 C C . MET B 1 181 ? 46.067 6.745 54.455 1.00 24.57 ? 181 MET B C 1 +ATOM 4213 O O . MET B 1 181 ? 45.488 7.405 53.583 1.00 17.43 ? 181 MET B O 1 +ATOM 4214 C CB . MET B 1 181 ? 46.829 4.298 54.220 1.00 15.57 ? 181 MET B CB 1 +ATOM 4215 C CG . MET B 1 181 ? 45.454 4.072 53.609 1.00 19.16 ? 181 MET B CG 1 +ATOM 4216 S SD . MET B 1 181 ? 44.676 2.518 54.086 1.00 24.01 ? 181 MET B SD 1 +ATOM 4217 C CE . MET B 1 181 ? 44.047 3.187 55.642 1.00 24.13 ? 181 MET B CE 1 +ATOM 4218 N N . ALA B 1 182 ? 45.755 6.902 55.751 1.00 20.31 ? 182 ALA B N 1 +ATOM 4219 C CA . ALA B 1 182 ? 44.704 7.820 56.199 1.00 20.29 ? 182 ALA B CA 1 +ATOM 4220 C C . ALA B 1 182 ? 45.059 9.284 55.977 1.00 25.94 ? 182 ALA B C 1 +ATOM 4221 O O . ALA B 1 182 ? 44.204 10.151 55.673 1.00 24.45 ? 182 ALA B O 1 +ATOM 4222 C CB . ALA B 1 182 ? 44.458 7.644 57.686 1.00 22.37 ? 182 ALA B CB 1 +ATOM 4223 N N . ALA B 1 183 ? 46.348 9.558 56.153 1.00 14.61 ? 183 ALA B N 1 +ATOM 4224 C CA . ALA B 1 183 ? 46.854 10.910 55.972 1.00 18.28 ? 183 ALA B CA 1 +ATOM 4225 C C . ALA B 1 183 ? 46.805 11.289 54.497 1.00 19.85 ? 183 ALA B C 1 +ATOM 4226 O O . ALA B 1 183 ? 46.467 12.433 54.132 1.00 11.66 ? 183 ALA B O 1 +ATOM 4227 C CB . ALA B 1 183 ? 48.229 11.024 56.609 1.00 16.80 ? 183 ALA B CB 1 +ATOM 4228 N N . GLU B 1 184 ? 47.066 10.289 53.654 1.00 13.70 ? 184 GLU B N 1 +ATOM 4229 C CA . GLU B 1 184 ? 46.964 10.529 52.229 1.00 19.34 ? 184 GLU B CA 1 +ATOM 4230 C C . GLU B 1 184 ? 45.508 10.798 51.821 1.00 18.95 ? 184 GLU B C 1 +ATOM 4231 O O . GLU B 1 184 ? 45.161 11.645 51.034 1.00 13.51 ? 184 GLU B O 1 +ATOM 4232 C CB . GLU B 1 184 ? 47.462 9.286 51.506 1.00 15.91 ? 184 GLU B CB 1 +ATOM 4233 C CG . GLU B 1 184 ? 48.980 9.276 51.528 1.00 14.85 ? 184 GLU B CG 1 +ATOM 4234 C CD . GLU B 1 184 ? 49.543 8.720 50.274 1.00 22.06 ? 184 GLU B CD 1 +ATOM 4235 O OE1 . GLU B 1 184 ? 48.911 8.067 49.462 1.00 30.02 ? 184 GLU B OE1 1 +ATOM 4236 O OE2 . GLU B 1 184 ? 50.783 9.061 50.120 1.00 30.82 ? 184 GLU B OE2 1 +ATOM 4237 N N . SER B 1 185 ? 44.601 10.046 52.375 1.00 20.72 ? 185 SER B N 1 +ATOM 4238 C CA . SER B 1 185 ? 43.212 10.241 52.028 1.00 23.64 ? 185 SER B CA 1 +ATOM 4239 C C . SER B 1 185 ? 42.723 11.645 52.468 1.00 22.38 ? 185 SER B C 1 +ATOM 4240 O O . SER B 1 185 ? 41.972 12.379 51.770 1.00 20.72 ? 185 SER B O 1 +ATOM 4241 C CB . SER B 1 185 ? 42.408 9.040 52.550 1.00 17.27 ? 185 SER B CB 1 +ATOM 4242 O OG . SER B 1 185 ? 41.050 9.096 52.156 1.00 13.58 ? 185 SER B OG 1 +ATOM 4243 N N . ARG B 1 186 ? 43.170 12.020 53.654 1.00 19.43 ? 186 ARG B N 1 +ATOM 4244 C CA . ARG B 1 186 ? 42.850 13.313 54.217 1.00 14.35 ? 186 ARG B CA 1 +ATOM 4245 C C . ARG B 1 186 ? 43.257 14.470 53.283 1.00 16.23 ? 186 ARG B C 1 +ATOM 4246 O O . ARG B 1 186 ? 42.435 15.301 52.854 1.00 14.82 ? 186 ARG B O 1 +ATOM 4247 C CB . ARG B 1 186 ? 43.374 13.455 55.642 1.00 17.41 ? 186 ARG B CB 1 +ATOM 4248 C CG . ARG B 1 186 ? 42.817 14.694 56.379 1.00 28.10 ? 186 ARG B CG 1 +ATOM 4249 C CD . ARG B 1 186 ? 43.620 15.976 56.075 1.00 18.96 ? 186 ARG B CD 1 +ATOM 4250 N NE . ARG B 1 186 ? 43.408 17.111 56.999 1.00 22.57 ? 186 ARG B NE 1 +ATOM 4251 C CZ . ARG B 1 186 ? 42.257 17.756 57.169 1.00 17.10 ? 186 ARG B CZ 1 +ATOM 4252 N NH1 . ARG B 1 186 ? 41.147 17.446 56.517 1.00 31.60 ? 186 ARG B NH1 1 +ATOM 4253 N NH2 . ARG B 1 186 ? 42.196 18.746 58.038 1.00 27.26 ? 186 ARG B NH2 1 +ATOM 4254 N N . VAL B 1 187 ? 44.539 14.468 52.934 1.00 7.45 ? 187 VAL B N 1 +ATOM 4255 C CA . VAL B 1 187 ? 45.125 15.451 52.037 1.00 13.44 ? 187 VAL B CA 1 +ATOM 4256 C C . VAL B 1 187 ? 44.484 15.488 50.631 1.00 15.18 ? 187 VAL B C 1 +ATOM 4257 O O . VAL B 1 187 ? 44.175 16.559 50.104 1.00 20.11 ? 187 VAL B O 1 +ATOM 4258 C CB . VAL B 1 187 ? 46.648 15.420 51.998 1.00 21.43 ? 187 VAL B CB 1 +ATOM 4259 C CG1 . VAL B 1 187 ? 47.154 16.484 50.998 1.00 18.82 ? 187 VAL B CG1 1 +ATOM 4260 C CG2 . VAL B 1 187 ? 47.195 15.704 53.406 1.00 17.29 ? 187 VAL B CG2 1 +ATOM 4261 N N . GLY B 1 188 ? 44.274 14.298 50.048 1.00 14.80 ? 188 GLY B N 1 +ATOM 4262 C CA . GLY B 1 188 ? 43.636 14.153 48.758 1.00 9.76 ? 188 GLY B CA 1 +ATOM 4263 C C . GLY B 1 188 ? 42.243 14.752 48.754 1.00 14.93 ? 188 GLY B C 1 +ATOM 4264 O O . GLY B 1 188 ? 41.831 15.393 47.790 1.00 20.44 ? 188 GLY B O 1 +ATOM 4265 N N . GLY B 1 189 ? 41.532 14.544 49.875 1.00 15.88 ? 189 GLY B N 1 +ATOM 4266 C CA . GLY B 1 189 ? 40.199 15.103 50.057 1.00 4.29 ? 189 GLY B CA 1 +ATOM 4267 C C . GLY B 1 189 ? 40.228 16.621 50.027 1.00 14.68 ? 189 GLY B C 1 +ATOM 4268 O O . GLY B 1 189 ? 39.394 17.257 49.382 1.00 15.84 ? 189 GLY B O 1 +ATOM 4269 N N . LEU B 1 190 ? 41.200 17.239 50.698 1.00 12.67 ? 190 LEU B N 1 +ATOM 4270 C CA . LEU B 1 190 ? 41.241 18.713 50.670 1.00 13.59 ? 190 LEU B CA 1 +ATOM 4271 C C . LEU B 1 190 ? 41.537 19.214 49.252 1.00 27.97 ? 190 LEU B C 1 +ATOM 4272 O O . LEU B 1 190 ? 40.954 20.201 48.789 1.00 26.04 ? 190 LEU B O 1 +ATOM 4273 C CB . LEU B 1 190 ? 42.309 19.344 51.565 1.00 12.08 ? 190 LEU B CB 1 +ATOM 4274 C CG . LEU B 1 190 ? 42.354 18.891 53.032 1.00 26.17 ? 190 LEU B CG 1 +ATOM 4275 C CD1 . LEU B 1 190 ? 43.722 19.313 53.587 1.00 15.31 ? 190 LEU B CD1 1 +ATOM 4276 C CD2 . LEU B 1 190 ? 41.293 19.624 53.860 1.00 24.30 ? 190 LEU B CD2 1 +ATOM 4277 N N . LEU B 1 191 ? 42.472 18.562 48.587 1.00 16.24 ? 191 LEU B N 1 +ATOM 4278 C CA . LEU B 1 191 ? 42.782 18.995 47.243 1.00 16.25 ? 191 LEU B CA 1 +ATOM 4279 C C . LEU B 1 191 ? 41.621 18.780 46.286 1.00 24.54 ? 191 LEU B C 1 +ATOM 4280 O O . LEU B 1 191 ? 41.360 19.626 45.432 1.00 24.08 ? 191 LEU B O 1 +ATOM 4281 C CB . LEU B 1 191 ? 44.008 18.278 46.680 1.00 17.65 ? 191 LEU B CB 1 +ATOM 4282 C CG . LEU B 1 191 ? 45.250 18.424 47.563 1.00 29.57 ? 191 LEU B CG 1 +ATOM 4283 C CD1 . LEU B 1 191 ? 46.476 17.851 46.828 1.00 11.64 ? 191 LEU B CD1 1 +ATOM 4284 C CD2 . LEU B 1 191 ? 45.451 19.892 47.956 1.00 24.54 ? 191 LEU B CD2 1 +ATOM 4285 N N . GLY B 1 192 ? 40.953 17.617 46.389 1.00 20.06 ? 192 GLY B N 1 +ATOM 4286 C CA . GLY B 1 192 ? 39.877 17.317 45.447 1.00 15.24 ? 192 GLY B CA 1 +ATOM 4287 C C . GLY B 1 192 ? 38.519 17.781 45.937 1.00 28.73 ? 192 GLY B C 1 +ATOM 4288 O O . GLY B 1 192 ? 37.536 17.674 45.220 1.00 14.84 ? 192 GLY B O 1 +ATOM 4289 N N . GLY B 1 193 ? 38.430 18.258 47.172 1.00 30.40 ? 193 GLY B N 1 +ATOM 4290 C CA . GLY B 1 193 ? 37.155 18.680 47.663 1.00 18.65 ? 193 GLY B CA 1 +ATOM 4291 C C . GLY B 1 193 ? 36.312 17.486 48.043 1.00 25.20 ? 193 GLY B C 1 +ATOM 4292 O O . GLY B 1 193 ? 35.128 17.433 47.767 1.00 28.75 ? 193 GLY B O 1 +ATOM 4293 N N . LYS B 1 194 ? 36.922 16.512 48.674 1.00 22.70 ? 194 LYS B N 1 +ATOM 4294 C CA . LYS B 1 194 ? 36.194 15.324 49.054 1.00 16.34 ? 194 LYS B CA 1 +ATOM 4295 C C . LYS B 1 194 ? 36.271 15.162 50.569 1.00 13.66 ? 194 LYS B C 1 +ATOM 4296 O O . LYS B 1 194 ? 37.117 15.768 51.215 1.00 22.24 ? 194 LYS B O 1 +ATOM 4297 C CB . LYS B 1 194 ? 36.674 14.022 48.337 1.00 6.99 ? 194 LYS B CB 1 +ATOM 4298 C CG . LYS B 1 194 ? 37.393 14.161 47.000 1.00 13.13 ? 194 LYS B CG 1 +ATOM 4299 C CD . LYS B 1 194 ? 36.393 14.051 45.877 1.00 7.30 ? 194 LYS B CD 1 +ATOM 4300 C CE . LYS B 1 194 ? 37.039 14.112 44.515 1.00 16.39 ? 194 LYS B CE 1 +ATOM 4301 N NZ . LYS B 1 194 ? 37.867 12.913 44.269 1.00 19.45 ? 194 LYS B NZ 1 +ATOM 4302 N N . PRO B 1 195 ? 35.399 14.338 51.152 1.00 11.85 ? 195 PRO B N 1 +ATOM 4303 C CA . PRO B 1 195 ? 35.492 14.163 52.577 1.00 8.92 ? 195 PRO B CA 1 +ATOM 4304 C C . PRO B 1 195 ? 36.873 13.636 52.985 1.00 21.59 ? 195 PRO B C 1 +ATOM 4305 O O . PRO B 1 195 ? 37.427 14.090 53.982 1.00 21.40 ? 195 PRO B O 1 +ATOM 4306 C CB . PRO B 1 195 ? 34.333 13.255 52.998 1.00 13.03 ? 195 PRO B CB 1 +ATOM 4307 C CG . PRO B 1 195 ? 33.624 12.810 51.737 1.00 20.23 ? 195 PRO B CG 1 +ATOM 4308 C CD . PRO B 1 195 ? 34.121 13.771 50.669 1.00 16.64 ? 195 PRO B CD 1 +ATOM 4309 N N . GLY B 1 196 ? 37.468 12.722 52.162 1.00 15.77 ? 196 GLY B N 1 +ATOM 4310 C CA . GLY B 1 196 ? 38.799 12.182 52.456 1.00 11.61 ? 196 GLY B CA 1 +ATOM 4311 C C . GLY B 1 196 ? 38.829 11.338 53.720 1.00 19.71 ? 196 GLY B C 1 +ATOM 4312 O O . GLY B 1 196 ? 39.670 11.466 54.608 1.00 13.10 ? 196 GLY B O 1 +ATOM 4313 N N . VAL B 1 197 ? 37.843 10.465 53.760 1.00 11.29 ? 197 VAL B N 1 +ATOM 4314 C CA . VAL B 1 197 ? 37.663 9.608 54.882 1.00 19.84 ? 197 VAL B CA 1 +ATOM 4315 C C . VAL B 1 197 ? 38.411 8.333 54.740 1.00 22.55 ? 197 VAL B C 1 +ATOM 4316 O O . VAL B 1 197 ? 38.869 7.985 53.640 1.00 18.42 ? 197 VAL B O 1 +ATOM 4317 C CB . VAL B 1 197 ? 36.186 9.362 55.149 1.00 20.37 ? 197 VAL B CB 1 +ATOM 4318 C CG1 . VAL B 1 197 ? 35.506 10.700 55.437 1.00 24.02 ? 197 VAL B CG1 1 +ATOM 4319 C CG2 . VAL B 1 197 ? 35.494 8.607 53.990 1.00 12.98 ? 197 VAL B CG2 1 +ATOM 4320 N N . THR B 1 198 ? 38.535 7.660 55.875 1.00 17.09 ? 198 THR B N 1 +ATOM 4321 C CA . THR B 1 198 ? 39.201 6.393 55.891 1.00 22.63 ? 198 THR B CA 1 +ATOM 4322 C C . THR B 1 198 ? 38.234 5.464 56.577 1.00 23.60 ? 198 THR B C 1 +ATOM 4323 O O . THR B 1 198 ? 37.837 5.689 57.712 1.00 18.99 ? 198 THR B O 1 +ATOM 4324 C CB . THR B 1 198 ? 40.565 6.415 56.604 1.00 21.81 ? 198 THR B CB 1 +ATOM 4325 O OG1 . THR B 1 198 ? 41.465 7.358 56.028 1.00 16.78 ? 198 THR B OG1 1 +ATOM 4326 C CG2 . THR B 1 198 ? 41.166 5.014 56.481 1.00 11.04 ? 198 THR B CG2 1 +ATOM 4327 N N . VAL B 1 199 ? 37.830 4.433 55.874 1.00 14.43 ? 199 VAL B N 1 +ATOM 4328 C CA . VAL B 1 199 ? 36.843 3.510 56.391 1.00 20.07 ? 199 VAL B CA 1 +ATOM 4329 C C . VAL B 1 199 ? 37.510 2.238 56.814 1.00 27.88 ? 199 VAL B C 1 +ATOM 4330 O O . VAL B 1 199 ? 38.234 1.635 56.014 1.00 23.48 ? 199 VAL B O 1 +ATOM 4331 C CB . VAL B 1 199 ? 35.767 3.235 55.342 1.00 11.14 ? 199 VAL B CB 1 +ATOM 4332 C CG1 . VAL B 1 199 ? 34.678 2.345 55.937 1.00 16.11 ? 199 VAL B CG1 1 +ATOM 4333 C CG2 . VAL B 1 199 ? 35.165 4.551 54.844 1.00 14.13 ? 199 VAL B CG2 1 +ATOM 4334 N N . PHE B 1 200 ? 37.259 1.860 58.057 1.00 26.33 ? 200 PHE B N 1 +ATOM 4335 C CA . PHE B 1 200 ? 37.861 0.651 58.576 1.00 12.66 ? 200 PHE B CA 1 +ATOM 4336 C C . PHE B 1 200 ? 36.881 -0.450 58.770 1.00 19.71 ? 200 PHE B C 1 +ATOM 4337 O O . PHE B 1 200 ? 36.020 -0.335 59.629 1.00 29.90 ? 200 PHE B O 1 +ATOM 4338 C CB . PHE B 1 200 ? 38.560 0.850 59.922 1.00 14.30 ? 200 PHE B CB 1 +ATOM 4339 C CG . PHE B 1 200 ? 39.533 1.969 59.957 1.00 15.73 ? 200 PHE B CG 1 +ATOM 4340 C CD1 . PHE B 1 200 ? 39.111 3.301 60.029 1.00 19.21 ? 200 PHE B CD1 1 +ATOM 4341 C CD2 . PHE B 1 200 ? 40.896 1.688 59.976 1.00 26.00 ? 200 PHE B CD2 1 +ATOM 4342 C CE1 . PHE B 1 200 ? 40.045 4.336 60.063 1.00 22.46 ? 200 PHE B CE1 1 +ATOM 4343 C CE2 . PHE B 1 200 ? 41.843 2.711 60.024 1.00 20.51 ? 200 PHE B CE2 1 +ATOM 4344 C CZ . PHE B 1 200 ? 41.408 4.034 60.058 1.00 13.13 ? 200 PHE B CZ 1 +ATOM 4345 N N . HIS B 1 201 ? 37.058 -1.531 57.996 1.00 23.92 ? 201 HIS B N 1 +ATOM 4346 C CA . HIS B 1 201 ? 36.250 -2.728 58.119 1.00 24.22 ? 201 HIS B CA 1 +ATOM 4347 C C . HIS B 1 201 ? 36.789 -3.361 59.381 1.00 30.94 ? 201 HIS B C 1 +ATOM 4348 O O . HIS B 1 201 ? 37.996 -3.616 59.451 1.00 17.52 ? 201 HIS B O 1 +ATOM 4349 C CB . HIS B 1 201 ? 36.562 -3.763 56.993 1.00 23.93 ? 201 HIS B CB 1 +ATOM 4350 C CG . HIS B 1 201 ? 36.422 -5.196 57.453 1.00 25.06 ? 201 HIS B CG 1 +ATOM 4351 N ND1 . HIS B 1 201 ? 35.225 -5.885 57.247 1.00 23.37 ? 201 HIS B ND1 1 +ATOM 4352 C CD2 . HIS B 1 201 ? 37.273 -6.048 58.155 1.00 25.35 ? 201 HIS B CD2 1 +ATOM 4353 C CE1 . HIS B 1 201 ? 35.347 -7.091 57.802 1.00 22.96 ? 201 HIS B CE1 1 +ATOM 4354 N NE2 . HIS B 1 201 ? 36.566 -7.235 58.361 1.00 24.75 ? 201 HIS B NE2 1 +ATOM 4355 N N . MET B 1 202 ? 35.919 -3.629 60.348 1.00 18.55 ? 202 MET B N 1 +ATOM 4356 C CA . MET B 1 202 ? 36.425 -4.236 61.565 1.00 24.07 ? 202 MET B CA 1 +ATOM 4357 C C . MET B 1 202 ? 36.069 -5.700 61.594 1.00 32.48 ? 202 MET B C 1 +ATOM 4358 O O . MET B 1 202 ? 34.963 -6.112 61.219 1.00 21.67 ? 202 MET B O 1 +ATOM 4359 C CB . MET B 1 202 ? 35.757 -3.616 62.786 1.00 20.74 ? 202 MET B CB 1 +ATOM 4360 C CG . MET B 1 202 ? 35.838 -2.122 62.730 1.00 22.97 ? 202 MET B CG 1 +ATOM 4361 S SD . MET B 1 202 ? 37.514 -1.601 63.114 1.00 26.05 ? 202 MET B SD 1 +ATOM 4362 C CE . MET B 1 202 ? 37.992 -2.748 64.424 1.00 18.55 ? 202 MET B CE 1 +ATOM 4363 N N . GLY B 1 203 ? 36.990 -6.489 62.091 1.00 31.70 ? 203 GLY B N 1 +ATOM 4364 C CA . GLY B 1 203 ? 36.744 -7.909 62.226 1.00 36.17 ? 203 GLY B CA 1 +ATOM 4365 C C . GLY B 1 203 ? 36.424 -8.304 63.680 1.00 34.08 ? 203 GLY B C 1 +ATOM 4366 O O . GLY B 1 203 ? 35.925 -7.523 64.489 1.00 30.71 ? 203 GLY B O 1 +ATOM 4367 N N . ASP B 1 204 ? 36.731 -9.546 64.026 1.00 22.67 ? 204 ASP B N 1 +ATOM 4368 C CA . ASP B 1 204 ? 36.445 -10.030 65.344 1.00 27.57 ? 204 ASP B CA 1 +ATOM 4369 C C . ASP B 1 204 ? 37.638 -10.106 66.294 1.00 26.88 ? 204 ASP B C 1 +ATOM 4370 O O . ASP B 1 204 ? 37.515 -10.532 67.439 1.00 30.64 ? 204 ASP B O 1 +ATOM 4371 C CB . ASP B 1 204 ? 35.624 -11.344 65.253 1.00 27.39 ? 204 ASP B CB 1 +ATOM 4372 C CG . ASP B 1 204 ? 34.188 -11.046 64.923 1.00 29.29 ? 204 ASP B CG 1 +ATOM 4373 O OD1 . ASP B 1 204 ? 33.607 -10.070 65.329 1.00 50.05 ? 204 ASP B OD1 1 +ATOM 4374 O OD2 . ASP B 1 204 ? 33.638 -11.908 64.115 1.00 53.74 ? 204 ASP B OD2 1 +ATOM 4375 N N . SER B 1 205 ? 38.808 -9.705 65.843 1.00 18.48 ? 205 SER B N 1 +ATOM 4376 C CA . SER B 1 205 ? 39.974 -9.742 66.709 1.00 18.88 ? 205 SER B CA 1 +ATOM 4377 C C . SER B 1 205 ? 39.819 -8.978 68.050 1.00 29.05 ? 205 SER B C 1 +ATOM 4378 O O . SER B 1 205 ? 39.218 -7.910 68.114 1.00 36.41 ? 205 SER B O 1 +ATOM 4379 C CB . SER B 1 205 ? 41.134 -9.153 65.919 1.00 15.24 ? 205 SER B CB 1 +ATOM 4380 O OG . SER B 1 205 ? 42.186 -8.797 66.780 1.00 25.80 ? 205 SER B OG 1 +ATOM 4381 N N . LYS B 1 206 ? 40.430 -9.496 69.121 1.00 35.97 ? 206 LYS B N 1 +ATOM 4382 C CA . LYS B 1 206 ? 40.421 -8.884 70.427 1.00 28.66 ? 206 LYS B CA 1 +ATOM 4383 C C . LYS B 1 206 ? 40.967 -7.458 70.442 1.00 30.73 ? 206 LYS B C 1 +ATOM 4384 O O . LYS B 1 206 ? 40.524 -6.594 71.213 1.00 45.48 ? 206 LYS B O 1 +ATOM 4385 C CB . LYS B 1 206 ? 41.241 -9.747 71.342 1.00 46.21 ? 206 LYS B CB 1 +ATOM 4386 C CG . LYS B 1 206 ? 40.468 -10.928 71.852 1.00 92.26 ? 206 LYS B CG 1 +ATOM 4387 C CD . LYS B 1 206 ? 41.427 -11.987 72.414 1.00 100.00 ? 206 LYS B CD 1 +ATOM 4388 C CE . LYS B 1 206 ? 40.824 -13.003 73.386 1.00 100.00 ? 206 LYS B CE 1 +ATOM 4389 N NZ . LYS B 1 206 ? 41.773 -14.066 73.757 1.00 100.00 ? 206 LYS B NZ 1 +ATOM 4390 N N . LYS B 1 207 ? 41.925 -7.192 69.580 1.00 35.46 ? 207 LYS B N 1 +ATOM 4391 C CA . LYS B 1 207 ? 42.499 -5.875 69.505 1.00 32.34 ? 207 LYS B CA 1 +ATOM 4392 C C . LYS B 1 207 ? 41.470 -4.741 69.203 1.00 26.30 ? 207 LYS B C 1 +ATOM 4393 O O . LYS B 1 207 ? 41.660 -3.543 69.499 1.00 29.20 ? 207 LYS B O 1 +ATOM 4394 C CB . LYS B 1 207 ? 43.832 -5.893 68.774 1.00 25.80 ? 207 LYS B CB 1 +ATOM 4395 C CG . LYS B 1 207 ? 43.823 -6.569 67.408 1.00 100.00 ? 207 LYS B CG 1 +ATOM 4396 C CD . LYS B 1 207 ? 45.210 -6.554 66.702 1.00 100.00 ? 207 LYS B CD 1 +ATOM 4397 C CE . LYS B 1 207 ? 45.531 -7.817 65.870 1.00 100.00 ? 207 LYS B CE 1 +ATOM 4398 N NZ . LYS B 1 207 ? 46.455 -8.785 66.515 1.00 66.33 ? 207 LYS B NZ 1 +ATOM 4399 N N . ALA B 1 208 ? 40.336 -5.143 68.628 1.00 20.23 ? 208 ALA B N 1 +ATOM 4400 C CA . ALA B 1 208 ? 39.258 -4.217 68.309 1.00 21.07 ? 208 ALA B CA 1 +ATOM 4401 C C . ALA B 1 208 ? 39.705 -2.890 67.711 1.00 20.00 ? 208 ALA B C 1 +ATOM 4402 O O . ALA B 1 208 ? 40.315 -2.891 66.663 1.00 27.86 ? 208 ALA B O 1 +ATOM 4403 C CB . ALA B 1 208 ? 38.367 -4.009 69.521 1.00 29.71 ? 208 ALA B CB 1 +ATOM 4404 N N . LEU B 1 209 ? 39.429 -1.758 68.375 1.00 28.85 ? 209 LEU B N 1 +ATOM 4405 C CA . LEU B 1 209 ? 39.779 -0.413 67.890 1.00 21.07 ? 209 LEU B CA 1 +ATOM 4406 C C . LEU B 1 209 ? 41.169 0.078 68.223 1.00 16.59 ? 209 LEU B C 1 +ATOM 4407 O O . LEU B 1 209 ? 41.545 1.222 67.854 1.00 22.04 ? 209 LEU B O 1 +ATOM 4408 C CB . LEU B 1 209 ? 38.821 0.665 68.468 1.00 21.17 ? 209 LEU B CB 1 +ATOM 4409 C CG . LEU B 1 209 ? 37.391 0.584 67.986 1.00 21.85 ? 209 LEU B CG 1 +ATOM 4410 C CD1 . LEU B 1 209 ? 36.752 1.954 68.122 1.00 31.08 ? 209 LEU B CD1 1 +ATOM 4411 C CD2 . LEU B 1 209 ? 37.394 0.281 66.516 1.00 40.52 ? 209 LEU B CD2 1 +ATOM 4412 N N . GLN B 1 210 ? 41.928 -0.741 68.947 1.00 16.71 ? 210 GLN B N 1 +ATOM 4413 C CA . GLN B 1 210 ? 43.275 -0.333 69.304 1.00 19.12 ? 210 GLN B CA 1 +ATOM 4414 C C . GLN B 1 210 ? 44.031 0.423 68.181 1.00 29.27 ? 210 GLN B C 1 +ATOM 4415 O O . GLN B 1 210 ? 44.453 1.598 68.291 1.00 31.80 ? 210 GLN B O 1 +ATOM 4416 C CB . GLN B 1 210 ? 44.045 -1.505 69.940 1.00 17.47 ? 210 GLN B CB 1 +ATOM 4417 C CG . GLN B 1 210 ? 45.212 -0.977 70.790 1.00 43.21 ? 210 GLN B CG 1 +ATOM 4418 C CD . GLN B 1 210 ? 44.880 0.391 71.401 1.00 100.00 ? 210 GLN B CD 1 +ATOM 4419 O OE1 . GLN B 1 210 ? 43.808 0.574 72.010 1.00 99.88 ? 210 GLN B OE1 1 +ATOM 4420 N NE2 . GLN B 1 210 ? 45.802 1.354 71.219 1.00 52.49 ? 210 GLN B NE2 1 +ATOM 4421 N N . PRO B 1 211 ? 44.164 -0.271 67.043 1.00 36.02 ? 211 PRO B N 1 +ATOM 4422 C CA . PRO B 1 211 ? 44.845 0.254 65.867 1.00 25.05 ? 211 PRO B CA 1 +ATOM 4423 C C . PRO B 1 211 ? 44.393 1.654 65.519 1.00 21.13 ? 211 PRO B C 1 +ATOM 4424 O O . PRO B 1 211 ? 45.182 2.494 65.055 1.00 26.65 ? 211 PRO B O 1 +ATOM 4425 C CB . PRO B 1 211 ? 44.555 -0.717 64.730 1.00 28.41 ? 211 PRO B CB 1 +ATOM 4426 C CG . PRO B 1 211 ? 43.808 -1.900 65.320 1.00 24.73 ? 211 PRO B CG 1 +ATOM 4427 C CD . PRO B 1 211 ? 43.408 -1.522 66.733 1.00 22.85 ? 211 PRO B CD 1 +ATOM 4428 N N . ILE B 1 212 ? 43.119 1.922 65.793 1.00 20.00 ? 212 ILE B N 1 +ATOM 4429 C CA . ILE B 1 212 ? 42.687 3.268 65.511 1.00 31.17 ? 212 ILE B CA 1 +ATOM 4430 C C . ILE B 1 212 ? 43.343 4.267 66.451 1.00 32.64 ? 212 ILE B C 1 +ATOM 4431 O O . ILE B 1 212 ? 43.889 5.314 66.057 1.00 27.09 ? 212 ILE B O 1 +ATOM 4432 C CB . ILE B 1 212 ? 41.177 3.382 65.400 1.00 33.86 ? 212 ILE B CB 1 +ATOM 4433 C CG1 . ILE B 1 212 ? 40.701 2.278 64.449 1.00 29.57 ? 212 ILE B CG1 1 +ATOM 4434 C CG2 . ILE B 1 212 ? 40.857 4.721 64.754 1.00 20.90 ? 212 ILE B CG2 1 +ATOM 4435 C CD1 . ILE B 1 212 ? 39.490 2.666 63.605 1.00 23.39 ? 212 ILE B CD1 1 +ATOM 4436 N N . TYR B 1 213 ? 43.310 3.914 67.723 1.00 16.86 ? 213 TYR B N 1 +ATOM 4437 C CA . TYR B 1 213 ? 43.932 4.776 68.714 1.00 16.39 ? 213 TYR B CA 1 +ATOM 4438 C C . TYR B 1 213 ? 45.396 4.998 68.434 1.00 22.43 ? 213 TYR B C 1 +ATOM 4439 O O . TYR B 1 213 ? 45.894 6.127 68.371 1.00 39.59 ? 213 TYR B O 1 +ATOM 4440 C CB . TYR B 1 213 ? 43.711 4.100 70.051 1.00 18.34 ? 213 TYR B CB 1 +ATOM 4441 C CG . TYR B 1 213 ? 42.260 4.272 70.426 1.00 27.58 ? 213 TYR B CG 1 +ATOM 4442 C CD1 . TYR B 1 213 ? 41.625 5.521 70.453 1.00 36.39 ? 213 TYR B CD1 1 +ATOM 4443 C CD2 . TYR B 1 213 ? 41.507 3.144 70.742 1.00 23.66 ? 213 TYR B CD2 1 +ATOM 4444 C CE1 . TYR B 1 213 ? 40.268 5.641 70.772 1.00 32.58 ? 213 TYR B CE1 1 +ATOM 4445 C CE2 . TYR B 1 213 ? 40.156 3.250 71.079 1.00 25.82 ? 213 TYR B CE2 1 +ATOM 4446 C CZ . TYR B 1 213 ? 39.532 4.499 71.103 1.00 44.74 ? 213 TYR B CZ 1 +ATOM 4447 O OH . TYR B 1 213 ? 38.200 4.548 71.450 1.00 37.35 ? 213 TYR B OH 1 +ATOM 4448 N N . ASP B 1 214 ? 46.087 3.907 68.210 1.00 24.83 ? 214 ASP B N 1 +ATOM 4449 C CA . ASP B 1 214 ? 47.495 4.006 67.899 1.00 29.78 ? 214 ASP B CA 1 +ATOM 4450 C C . ASP B 1 214 ? 47.737 4.984 66.771 1.00 22.88 ? 214 ASP B C 1 +ATOM 4451 O O . ASP B 1 214 ? 48.612 5.861 66.790 1.00 28.68 ? 214 ASP B O 1 +ATOM 4452 C CB . ASP B 1 214 ? 48.024 2.629 67.500 1.00 21.36 ? 214 ASP B CB 1 +ATOM 4453 C CG . ASP B 1 214 ? 47.912 1.640 68.614 1.00 37.51 ? 214 ASP B CG 1 +ATOM 4454 O OD1 . ASP B 1 214 ? 47.737 1.965 69.764 1.00 46.23 ? 214 ASP B OD1 1 +ATOM 4455 O OD2 . ASP B 1 214 ? 48.013 0.397 68.224 1.00 39.44 ? 214 ASP B OD2 1 +ATOM 4456 N N . LEU B 1 215 ? 46.899 4.833 65.771 1.00 33.28 ? 215 LEU B N 1 +ATOM 4457 C CA . LEU B 1 215 ? 46.996 5.686 64.594 1.00 35.73 ? 215 LEU B CA 1 +ATOM 4458 C C . LEU B 1 215 ? 46.918 7.168 64.989 1.00 23.77 ? 215 LEU B C 1 +ATOM 4459 O O . LEU B 1 215 ? 47.684 8.050 64.618 1.00 29.28 ? 215 LEU B O 1 +ATOM 4460 C CB . LEU B 1 215 ? 45.898 5.252 63.602 1.00 30.47 ? 215 LEU B CB 1 +ATOM 4461 C CG . LEU B 1 215 ? 45.953 5.986 62.275 1.00 36.95 ? 215 LEU B CG 1 +ATOM 4462 C CD1 . LEU B 1 215 ? 45.259 5.131 61.208 1.00 18.19 ? 215 LEU B CD1 1 +ATOM 4463 C CD2 . LEU B 1 215 ? 45.241 7.323 62.405 1.00 26.89 ? 215 LEU B CD2 1 +ATOM 4464 N N . LEU B 1 216 ? 45.947 7.415 65.784 1.00 21.36 ? 216 LEU B N 1 +ATOM 4465 C CA . LEU B 1 216 ? 45.701 8.707 66.243 1.00 24.00 ? 216 LEU B CA 1 +ATOM 4466 C C . LEU B 1 216 ? 46.882 9.282 66.983 1.00 37.60 ? 216 LEU B C 1 +ATOM 4467 O O . LEU B 1 216 ? 47.007 10.500 67.108 1.00 47.18 ? 216 LEU B O 1 +ATOM 4468 C CB . LEU B 1 216 ? 44.471 8.627 67.143 1.00 23.93 ? 216 LEU B CB 1 +ATOM 4469 C CG . LEU B 1 216 ? 43.226 8.687 66.262 1.00 33.70 ? 216 LEU B CG 1 +ATOM 4470 C CD1 . LEU B 1 216 ? 41.945 8.692 67.089 1.00 26.41 ? 216 LEU B CD1 1 +ATOM 4471 C CD2 . LEU B 1 216 ? 43.283 9.952 65.418 1.00 35.86 ? 216 LEU B CD2 1 +ATOM 4472 N N . GLU B 1 217 ? 47.687 8.398 67.542 1.00 33.26 ? 217 GLU B N 1 +ATOM 4473 C CA . GLU B 1 217 ? 48.841 8.946 68.235 1.00 38.22 ? 217 GLU B CA 1 +ATOM 4474 C C . GLU B 1 217 ? 50.011 9.159 67.307 1.00 50.87 ? 217 GLU B C 1 +ATOM 4475 O O . GLU B 1 217 ? 50.986 9.805 67.675 1.00 60.91 ? 217 GLU B O 1 +ATOM 4476 C CB . GLU B 1 217 ? 49.333 8.036 69.330 1.00 34.53 ? 217 GLU B CB 1 +ATOM 4477 C CG . GLU B 1 217 ? 48.242 7.864 70.366 1.00 67.77 ? 217 GLU B CG 1 +ATOM 4478 C CD . GLU B 1 217 ? 48.648 6.799 71.371 1.00 100.00 ? 217 GLU B CD 1 +ATOM 4479 O OE1 . GLU B 1 217 ? 49.775 6.345 71.423 1.00 88.30 ? 217 GLU B OE1 1 +ATOM 4480 O OE2 . GLU B 1 217 ? 47.656 6.371 72.088 1.00 100.00 ? 217 GLU B OE2 1 +ATOM 4481 N N . ASN B 1 218 ? 49.901 8.551 66.130 1.00 35.82 ? 218 ASN B N 1 +ATOM 4482 C CA . ASN B 1 218 ? 50.980 8.595 65.167 1.00 28.03 ? 218 ASN B CA 1 +ATOM 4483 C C . ASN B 1 218 ? 50.735 9.486 63.976 1.00 51.06 ? 218 ASN B C 1 +ATOM 4484 O O . ASN B 1 218 ? 51.446 9.388 62.979 1.00 75.09 ? 218 ASN B O 1 +ATOM 4485 C CB . ASN B 1 218 ? 51.384 7.167 64.768 1.00 34.22 ? 218 ASN B CB 1 +ATOM 4486 C CG . ASN B 1 218 ? 52.123 6.457 65.907 1.00 77.28 ? 218 ASN B CG 1 +ATOM 4487 O OD1 . ASN B 1 218 ? 53.359 6.412 65.945 1.00 56.28 ? 218 ASN B OD1 1 +ATOM 4488 N ND2 . ASN B 1 218 ? 51.374 5.898 66.858 1.00 42.09 ? 218 ASN B ND2 1 +ATOM 4489 N N . CYS B 1 219 ? 49.728 10.351 64.088 1.00 34.60 ? 219 CYS B N 1 +ATOM 4490 C CA . CYS B 1 219 ? 49.420 11.266 63.005 1.00 38.93 ? 219 CYS B CA 1 +ATOM 4491 C C . CYS B 1 219 ? 48.458 12.317 63.468 1.00 24.51 ? 219 CYS B C 1 +ATOM 4492 O O . CYS B 1 219 ? 47.920 12.248 64.550 1.00 39.58 ? 219 CYS B O 1 +ATOM 4493 C CB . CYS B 1 219 ? 48.984 10.605 61.679 1.00 36.32 ? 219 CYS B CB 1 +ATOM 4494 S SG . CYS B 1 219 ? 47.326 9.951 61.867 1.00 39.98 ? 219 CYS B SG 1 +ATOM 4495 N N . ASP B 1 220 ? 48.268 13.298 62.643 1.00 18.35 ? 220 ASP B N 1 +ATOM 4496 C CA . ASP B 1 220 ? 47.425 14.386 63.009 1.00 19.89 ? 220 ASP B CA 1 +ATOM 4497 C C . ASP B 1 220 ? 46.116 14.436 62.246 1.00 29.71 ? 220 ASP B C 1 +ATOM 4498 O O . ASP B 1 220 ? 45.494 15.503 62.129 1.00 39.63 ? 220 ASP B O 1 +ATOM 4499 C CB . ASP B 1 220 ? 48.237 15.670 62.909 1.00 24.00 ? 220 ASP B CB 1 +ATOM 4500 C CG . ASP B 1 220 ? 49.277 15.712 63.998 1.00 43.35 ? 220 ASP B CG 1 +ATOM 4501 O OD1 . ASP B 1 220 ? 49.018 16.097 65.105 1.00 65.36 ? 220 ASP B OD1 1 +ATOM 4502 O OD2 . ASP B 1 220 ? 50.466 15.277 63.635 1.00 36.98 ? 220 ASP B OD2 1 +ATOM 4503 N N . VAL B 1 221 ? 45.709 13.262 61.754 1.00 30.61 ? 221 VAL B N 1 +ATOM 4504 C CA . VAL B 1 221 ? 44.435 13.137 61.040 1.00 34.57 ? 221 VAL B CA 1 +ATOM 4505 C C . VAL B 1 221 ? 43.300 13.341 62.067 1.00 31.31 ? 221 VAL B C 1 +ATOM 4506 O O . VAL B 1 221 ? 43.354 12.759 63.163 1.00 34.65 ? 221 VAL B O 1 +ATOM 4507 C CB . VAL B 1 221 ? 44.245 11.783 60.300 1.00 29.48 ? 221 VAL B CB 1 +ATOM 4508 C CG1 . VAL B 1 221 ? 42.899 11.718 59.575 1.00 20.27 ? 221 VAL B CG1 1 +ATOM 4509 C CG2 . VAL B 1 221 ? 45.377 11.412 59.341 1.00 29.13 ? 221 VAL B CG2 1 +ATOM 4510 N N . PRO B 1 222 ? 42.278 14.142 61.704 1.00 28.68 ? 222 PRO B N 1 +ATOM 4511 C CA . PRO B 1 222 ? 41.144 14.371 62.588 1.00 20.49 ? 222 PRO B CA 1 +ATOM 4512 C C . PRO B 1 222 ? 40.272 13.116 62.755 1.00 18.80 ? 222 PRO B C 1 +ATOM 4513 O O . PRO B 1 222 ? 39.913 12.415 61.808 1.00 27.26 ? 222 PRO B O 1 +ATOM 4514 C CB . PRO B 1 222 ? 40.309 15.510 61.966 1.00 14.20 ? 222 PRO B CB 1 +ATOM 4515 C CG . PRO B 1 222 ? 41.188 16.151 60.903 1.00 20.00 ? 222 PRO B CG 1 +ATOM 4516 C CD . PRO B 1 222 ? 42.281 15.143 60.599 1.00 23.97 ? 222 PRO B CD 1 +ATOM 4517 N N . ILE B 1 223 ? 39.923 12.849 63.999 1.00 21.22 ? 223 ILE B N 1 +ATOM 4518 C CA . ILE B 1 223 ? 39.070 11.736 64.358 1.00 15.78 ? 223 ILE B CA 1 +ATOM 4519 C C . ILE B 1 223 ? 37.791 11.739 63.514 1.00 20.80 ? 223 ILE B C 1 +ATOM 4520 O O . ILE B 1 223 ? 37.232 10.685 63.249 1.00 25.22 ? 223 ILE B O 1 +ATOM 4521 C CB . ILE B 1 223 ? 38.723 11.748 65.858 1.00 14.48 ? 223 ILE B CB 1 +ATOM 4522 C CG1 . ILE B 1 223 ? 38.116 10.419 66.243 1.00 23.02 ? 223 ILE B CG1 1 +ATOM 4523 C CG2 . ILE B 1 223 ? 37.768 12.895 66.207 1.00 17.45 ? 223 ILE B CG2 1 +ATOM 4524 C CD1 . ILE B 1 223 ? 37.515 10.396 67.641 1.00 41.25 ? 223 ILE B CD1 1 +ATOM 4525 N N . SER B 1 224 ? 37.338 12.937 63.101 1.00 15.69 ? 224 SER B N 1 +ATOM 4526 C CA . SER B 1 224 ? 36.158 13.030 62.285 1.00 20.03 ? 224 SER B CA 1 +ATOM 4527 C C . SER B 1 224 ? 36.326 12.367 60.900 1.00 30.39 ? 224 SER B C 1 +ATOM 4528 O O . SER B 1 224 ? 35.401 12.265 60.104 1.00 23.60 ? 224 SER B O 1 +ATOM 4529 C CB . SER B 1 224 ? 35.755 14.492 62.128 1.00 24.53 ? 224 SER B CB 1 +ATOM 4530 O OG . SER B 1 224 ? 36.702 15.233 61.358 1.00 27.22 ? 224 SER B OG 1 +ATOM 4531 N N . LYS B 1 225 ? 37.530 11.942 60.563 1.00 38.96 ? 225 LYS B N 1 +ATOM 4532 C CA . LYS B 1 225 ? 37.745 11.347 59.255 1.00 29.13 ? 225 LYS B CA 1 +ATOM 4533 C C . LYS B 1 225 ? 37.850 9.831 59.355 1.00 29.05 ? 225 LYS B C 1 +ATOM 4534 O O . LYS B 1 225 ? 37.981 9.119 58.361 1.00 31.61 ? 225 LYS B O 1 +ATOM 4535 C CB . LYS B 1 225 ? 39.026 11.883 58.613 1.00 26.46 ? 225 LYS B CB 1 +ATOM 4536 C CG . LYS B 1 225 ? 39.031 13.389 58.443 1.00 17.48 ? 225 LYS B CG 1 +ATOM 4537 C CD . LYS B 1 225 ? 38.005 13.815 57.412 1.00 16.55 ? 225 LYS B CD 1 +ATOM 4538 C CE . LYS B 1 225 ? 37.844 15.330 57.191 1.00 19.22 ? 225 LYS B CE 1 +ATOM 4539 N NZ . LYS B 1 225 ? 36.742 15.665 56.235 1.00 28.97 ? 225 LYS B NZ 1 +ATOM 4540 N N . LEU B 1 226 ? 37.807 9.323 60.563 1.00 23.66 ? 226 LEU B N 1 +ATOM 4541 C CA . LEU B 1 226 ? 37.965 7.897 60.698 1.00 27.94 ? 226 LEU B CA 1 +ATOM 4542 C C . LEU B 1 226 ? 36.634 7.246 60.938 1.00 32.39 ? 226 LEU B C 1 +ATOM 4543 O O . LEU B 1 226 ? 35.934 7.705 61.827 1.00 39.84 ? 226 LEU B O 1 +ATOM 4544 C CB . LEU B 1 226 ? 39.026 7.562 61.762 1.00 27.72 ? 226 LEU B CB 1 +ATOM 4545 C CG . LEU B 1 226 ? 40.266 8.468 61.679 1.00 26.25 ? 226 LEU B CG 1 +ATOM 4546 C CD1 . LEU B 1 226 ? 41.068 8.513 62.976 1.00 23.10 ? 226 LEU B CD1 1 +ATOM 4547 C CD2 . LEU B 1 226 ? 41.258 8.003 60.625 1.00 15.50 ? 226 LEU B CD2 1 +ATOM 4548 N N . LEU B 1 227 ? 36.309 6.221 60.127 1.00 21.53 ? 227 LEU B N 1 +ATOM 4549 C CA . LEU B 1 227 ? 35.019 5.547 60.221 1.00 13.10 ? 227 LEU B CA 1 +ATOM 4550 C C . LEU B 1 227 ? 35.063 4.042 60.388 1.00 25.50 ? 227 LEU B C 1 +ATOM 4551 O O . LEU B 1 227 ? 35.293 3.294 59.424 1.00 18.96 ? 227 LEU B O 1 +ATOM 4552 C CB . LEU B 1 227 ? 34.027 5.992 59.178 1.00 13.78 ? 227 LEU B CB 1 +ATOM 4553 C CG . LEU B 1 227 ? 32.672 5.310 59.366 1.00 29.00 ? 227 LEU B CG 1 +ATOM 4554 C CD1 . LEU B 1 227 ? 31.721 6.208 60.163 1.00 24.81 ? 227 LEU B CD1 1 +ATOM 4555 C CD2 . LEU B 1 227 ? 32.052 4.906 58.036 1.00 23.46 ? 227 LEU B CD2 1 +ATOM 4556 N N . PRO B 1 228 ? 34.840 3.587 61.624 1.00 26.79 ? 228 PRO B N 1 +ATOM 4557 C CA . PRO B 1 228 ? 34.846 2.162 61.872 1.00 18.97 ? 228 PRO B CA 1 +ATOM 4558 C C . PRO B 1 228 ? 33.453 1.627 61.535 1.00 29.03 ? 228 PRO B C 1 +ATOM 4559 O O . PRO B 1 228 ? 32.401 2.217 61.904 1.00 16.35 ? 228 PRO B O 1 +ATOM 4560 C CB . PRO B 1 228 ? 35.193 2.005 63.352 1.00 25.42 ? 228 PRO B CB 1 +ATOM 4561 C CG . PRO B 1 228 ? 35.026 3.371 64.000 1.00 23.55 ? 228 PRO B CG 1 +ATOM 4562 C CD . PRO B 1 228 ? 34.813 4.389 62.888 1.00 18.04 ? 228 PRO B CD 1 +ATOM 4563 N N . THR B 1 229 ? 33.439 0.522 60.784 1.00 20.72 ? 229 THR B N 1 +ATOM 4564 C CA . THR B 1 229 ? 32.164 -0.057 60.371 1.00 20.91 ? 229 THR B CA 1 +ATOM 4565 C C . THR B 1 229 ? 31.951 -1.455 60.917 1.00 12.48 ? 229 THR B C 1 +ATOM 4566 O O . THR B 1 229 ? 32.926 -2.066 61.365 1.00 17.97 ? 229 THR B O 1 +ATOM 4567 C CB . THR B 1 229 ? 31.966 0.053 58.839 1.00 16.40 ? 229 THR B CB 1 +ATOM 4568 O OG1 . THR B 1 229 ? 30.661 -0.398 58.595 1.00 36.23 ? 229 THR B OG1 1 +ATOM 4569 C CG2 . THR B 1 229 ? 32.979 -0.791 58.034 1.00 15.09 ? 229 THR B CG2 1 +ATOM 4570 N N . HIS B 1 230 ? 30.722 -1.971 60.853 1.00 19.49 ? 230 HIS B N 1 +ATOM 4571 C CA . HIS B 1 230 ? 30.400 -3.303 61.388 1.00 24.33 ? 230 HIS B CA 1 +ATOM 4572 C C . HIS B 1 230 ? 30.560 -3.305 62.890 1.00 22.90 ? 230 HIS B C 1 +ATOM 4573 O O . HIS B 1 230 ? 30.896 -4.339 63.465 1.00 35.56 ? 230 HIS B O 1 +ATOM 4574 C CB . HIS B 1 230 ? 31.386 -4.386 60.934 1.00 27.11 ? 230 HIS B CB 1 +ATOM 4575 C CG . HIS B 1 230 ? 31.600 -4.467 59.457 1.00 40.72 ? 230 HIS B CG 1 +ATOM 4576 N ND1 . HIS B 1 230 ? 30.574 -4.286 58.541 1.00 35.51 ? 230 HIS B ND1 1 +ATOM 4577 C CD2 . HIS B 1 230 ? 32.740 -4.753 58.770 1.00 34.86 ? 230 HIS B CD2 1 +ATOM 4578 C CE1 . HIS B 1 230 ? 31.089 -4.415 57.338 1.00 33.51 ? 230 HIS B CE1 1 +ATOM 4579 N NE2 . HIS B 1 230 ? 32.379 -4.721 57.457 1.00 31.06 ? 230 HIS B NE2 1 +ATOM 4580 N N . VAL B 1 231 ? 30.414 -2.157 63.511 1.00 19.21 ? 231 VAL B N 1 +ATOM 4581 C CA . VAL B 1 231 ? 30.671 -2.073 64.929 1.00 29.25 ? 231 VAL B CA 1 +ATOM 4582 C C . VAL B 1 231 ? 29.819 -2.995 65.806 1.00 31.05 ? 231 VAL B C 1 +ATOM 4583 O O . VAL B 1 231 ? 30.169 -3.328 66.945 1.00 18.17 ? 231 VAL B O 1 +ATOM 4584 C CB . VAL B 1 231 ? 30.735 -0.642 65.422 1.00 31.27 ? 231 VAL B CB 1 +ATOM 4585 C CG1 . VAL B 1 231 ? 31.780 0.083 64.605 1.00 30.44 ? 231 VAL B CG1 1 +ATOM 4586 C CG2 . VAL B 1 231 ? 29.403 0.056 65.207 1.00 30.01 ? 231 VAL B CG2 1 +ATOM 4587 N N . ASN B 1 232 ? 28.715 -3.443 65.237 1.00 28.57 ? 232 ASN B N 1 +ATOM 4588 C CA . ASN B 1 232 ? 27.843 -4.304 66.006 1.00 31.34 ? 232 ASN B CA 1 +ATOM 4589 C C . ASN B 1 232 ? 28.175 -5.787 65.958 1.00 35.45 ? 232 ASN B C 1 +ATOM 4590 O O . ASN B 1 232 ? 27.404 -6.573 66.496 1.00 28.51 ? 232 ASN B O 1 +ATOM 4591 C CB . ASN B 1 232 ? 26.383 -4.095 65.542 1.00 17.01 ? 232 ASN B CB 1 +ATOM 4592 C CG . ASN B 1 232 ? 26.181 -4.015 64.034 1.00 31.84 ? 232 ASN B CG 1 +ATOM 4593 O OD1 . ASN B 1 232 ? 26.996 -3.435 63.287 1.00 24.04 ? 232 ASN B OD1 1 +ATOM 4594 N ND2 . ASN B 1 232 ? 25.086 -4.624 63.592 1.00 25.45 ? 232 ASN B ND2 1 +ATOM 4595 N N . ARG B 1 233 ? 29.271 -6.171 65.294 1.00 25.81 ? 233 ARG B N 1 +ATOM 4596 C CA . ARG B 1 233 ? 29.663 -7.565 65.104 1.00 20.18 ? 233 ARG B CA 1 +ATOM 4597 C C . ARG B 1 233 ? 29.987 -8.307 66.395 1.00 23.39 ? 233 ARG B C 1 +ATOM 4598 O O . ARG B 1 233 ? 29.894 -9.527 66.512 1.00 31.62 ? 233 ARG B O 1 +ATOM 4599 C CB . ARG B 1 233 ? 30.747 -7.713 64.020 1.00 17.68 ? 233 ARG B CB 1 +ATOM 4600 C CG . ARG B 1 233 ? 32.012 -6.934 64.348 1.00 29.61 ? 233 ARG B CG 1 +ATOM 4601 C CD . ARG B 1 233 ? 33.158 -7.291 63.416 1.00 39.88 ? 233 ARG B CD 1 +ATOM 4602 N NE . ARG B 1 233 ? 32.982 -8.632 62.891 1.00 21.94 ? 233 ARG B NE 1 +ATOM 4603 C CZ . ARG B 1 233 ? 32.987 -8.984 61.606 1.00 37.13 ? 233 ARG B CZ 1 +ATOM 4604 N NH1 . ARG B 1 233 ? 33.258 -8.127 60.611 1.00 24.99 ? 233 ARG B NH1 1 +ATOM 4605 N NH2 . ARG B 1 233 ? 32.788 -10.255 61.298 1.00 32.77 ? 233 ARG B NH2 1 +ATOM 4606 N N . ASN B 1 234 ? 30.387 -7.564 67.392 1.00 23.33 ? 234 ASN B N 1 +ATOM 4607 C CA . ASN B 1 234 ? 30.685 -8.204 68.627 1.00 24.67 ? 234 ASN B CA 1 +ATOM 4608 C C . ASN B 1 234 ? 30.626 -7.190 69.751 1.00 28.71 ? 234 ASN B C 1 +ATOM 4609 O O . ASN B 1 234 ? 30.831 -5.993 69.590 1.00 32.42 ? 234 ASN B O 1 +ATOM 4610 C CB . ASN B 1 234 ? 31.934 -9.105 68.545 1.00 17.99 ? 234 ASN B CB 1 +ATOM 4611 C CG . ASN B 1 234 ? 33.230 -8.345 68.659 1.00 57.04 ? 234 ASN B CG 1 +ATOM 4612 O OD1 . ASN B 1 234 ? 33.514 -7.726 69.693 1.00 31.29 ? 234 ASN B OD1 1 +ATOM 4613 N ND2 . ASN B 1 234 ? 34.028 -8.396 67.601 1.00 27.87 ? 234 ASN B ND2 1 +ATOM 4614 N N . VAL B 1 235 ? 30.269 -7.694 70.895 1.00 24.17 ? 235 VAL B N 1 +ATOM 4615 C CA . VAL B 1 235 ? 30.026 -6.882 72.061 1.00 24.27 ? 235 VAL B CA 1 +ATOM 4616 C C . VAL B 1 235 ? 31.056 -5.896 72.514 1.00 14.35 ? 235 VAL B C 1 +ATOM 4617 O O . VAL B 1 235 ? 30.787 -4.673 72.593 1.00 23.51 ? 235 VAL B O 1 +ATOM 4618 C CB . VAL B 1 235 ? 29.480 -7.764 73.144 1.00 36.65 ? 235 VAL B CB 1 +ATOM 4619 C CG1 . VAL B 1 235 ? 29.227 -6.960 74.412 1.00 48.63 ? 235 VAL B CG1 1 +ATOM 4620 C CG2 . VAL B 1 235 ? 28.199 -8.408 72.568 1.00 21.10 ? 235 VAL B CG2 1 +ATOM 4621 N N . PRO B 1 236 ? 32.215 -6.451 72.822 1.00 27.92 ? 236 PRO B N 1 +ATOM 4622 C CA . PRO B 1 236 ? 33.376 -5.702 73.291 1.00 29.20 ? 236 PRO B CA 1 +ATOM 4623 C C . PRO B 1 236 ? 33.751 -4.610 72.306 1.00 32.58 ? 236 PRO B C 1 +ATOM 4624 O O . PRO B 1 236 ? 34.085 -3.486 72.682 1.00 32.91 ? 236 PRO B O 1 +ATOM 4625 C CB . PRO B 1 236 ? 34.501 -6.711 73.468 1.00 21.57 ? 236 PRO B CB 1 +ATOM 4626 C CG . PRO B 1 236 ? 33.904 -8.087 73.132 1.00 29.37 ? 236 PRO B CG 1 +ATOM 4627 C CD . PRO B 1 236 ? 32.482 -7.897 72.628 1.00 25.08 ? 236 PRO B CD 1 +ATOM 4628 N N . LEU B 1 237 ? 33.628 -5.002 71.039 1.00 31.14 ? 237 LEU B N 1 +ATOM 4629 C CA . LEU B 1 237 ? 33.852 -4.114 69.922 1.00 36.33 ? 237 LEU B CA 1 +ATOM 4630 C C . LEU B 1 237 ? 32.841 -2.980 69.993 1.00 24.48 ? 237 LEU B C 1 +ATOM 4631 O O . LEU B 1 237 ? 33.225 -1.822 70.047 1.00 19.43 ? 237 LEU B O 1 +ATOM 4632 C CB . LEU B 1 237 ? 33.732 -4.820 68.535 1.00 32.05 ? 237 LEU B CB 1 +ATOM 4633 C CG . LEU B 1 237 ? 33.902 -3.853 67.351 1.00 27.11 ? 237 LEU B CG 1 +ATOM 4634 C CD1 . LEU B 1 237 ? 35.250 -3.124 67.425 1.00 24.44 ? 237 LEU B CD1 1 +ATOM 4635 C CD2 . LEU B 1 237 ? 33.786 -4.614 66.041 1.00 29.82 ? 237 LEU B CD2 1 +ATOM 4636 N N . PHE B 1 238 ? 31.556 -3.356 70.015 1.00 22.09 ? 238 PHE B N 1 +ATOM 4637 C CA . PHE B 1 238 ? 30.500 -2.354 70.066 1.00 30.29 ? 238 PHE B CA 1 +ATOM 4638 C C . PHE B 1 238 ? 30.702 -1.372 71.200 1.00 27.39 ? 238 PHE B C 1 +ATOM 4639 O O . PHE B 1 238 ? 30.528 -0.174 71.068 1.00 34.24 ? 238 PHE B O 1 +ATOM 4640 C CB . PHE B 1 238 ? 29.139 -3.006 70.148 1.00 27.40 ? 238 PHE B CB 1 +ATOM 4641 C CG . PHE B 1 238 ? 28.055 -1.965 70.134 1.00 32.63 ? 238 PHE B CG 1 +ATOM 4642 C CD1 . PHE B 1 238 ? 27.724 -1.312 68.946 1.00 54.81 ? 238 PHE B CD1 1 +ATOM 4643 C CD2 . PHE B 1 238 ? 27.326 -1.625 71.271 1.00 21.42 ? 238 PHE B CD2 1 +ATOM 4644 C CE1 . PHE B 1 238 ? 26.718 -0.349 68.883 1.00 51.40 ? 238 PHE B CE1 1 +ATOM 4645 C CE2 . PHE B 1 238 ? 26.329 -0.658 71.227 1.00 26.54 ? 238 PHE B CE2 1 +ATOM 4646 C CZ . PHE B 1 238 ? 26.003 -0.013 70.035 1.00 38.75 ? 238 PHE B CZ 1 +ATOM 4647 N N . GLU B 1 239 ? 31.149 -1.922 72.305 1.00 16.55 ? 239 GLU B N 1 +ATOM 4648 C CA . GLU B 1 239 ? 31.388 -1.123 73.457 1.00 32.43 ? 239 GLU B CA 1 +ATOM 4649 C C . GLU B 1 239 ? 32.460 -0.084 73.235 1.00 40.77 ? 239 GLU B C 1 +ATOM 4650 O O . GLU B 1 239 ? 32.290 1.060 73.693 1.00 30.53 ? 239 GLU B O 1 +ATOM 4651 C CB . GLU B 1 239 ? 31.700 -2.001 74.668 1.00 39.69 ? 239 GLU B CB 1 +ATOM 4652 C CG . GLU B 1 239 ? 30.488 -2.757 75.260 1.00 48.72 ? 239 GLU B CG 1 +ATOM 4653 C CD . GLU B 1 239 ? 30.878 -3.863 76.260 1.00 100.00 ? 239 GLU B CD 1 +ATOM 4654 O OE1 . GLU B 1 239 ? 32.027 -4.184 76.546 1.00 100.00 ? 239 GLU B OE1 1 +ATOM 4655 O OE2 . GLU B 1 239 ? 29.834 -4.426 76.779 1.00 100.00 ? 239 GLU B OE2 1 +ATOM 4656 N N . GLN B 1 240 ? 33.556 -0.481 72.577 1.00 26.15 ? 240 GLN B N 1 +ATOM 4657 C CA . GLN B 1 240 ? 34.610 0.502 72.367 1.00 30.87 ? 240 GLN B CA 1 +ATOM 4658 C C . GLN B 1 240 ? 34.192 1.572 71.383 1.00 27.31 ? 240 GLN B C 1 +ATOM 4659 O O . GLN B 1 240 ? 34.677 2.727 71.373 1.00 27.62 ? 240 GLN B O 1 +ATOM 4660 C CB . GLN B 1 240 ? 35.972 -0.079 71.968 1.00 32.18 ? 240 GLN B CB 1 +ATOM 4661 C CG . GLN B 1 240 ? 36.380 -1.282 72.815 1.00 26.07 ? 240 GLN B CG 1 +ATOM 4662 C CD . GLN B 1 240 ? 37.753 -1.794 72.473 1.00 49.49 ? 240 GLN B CD 1 +ATOM 4663 O OE1 . GLN B 1 240 ? 38.458 -1.229 71.624 1.00 37.52 ? 240 GLN B OE1 1 +ATOM 4664 N NE2 . GLN B 1 240 ? 38.141 -2.870 73.144 1.00 76.39 ? 240 GLN B NE2 1 +ATOM 4665 N N . ALA B 1 241 ? 33.310 1.131 70.517 1.00 20.14 ? 241 ALA B N 1 +ATOM 4666 C CA . ALA B 1 241 ? 32.798 2.020 69.497 1.00 21.20 ? 241 ALA B CA 1 +ATOM 4667 C C . ALA B 1 241 ? 32.102 3.200 70.188 1.00 24.98 ? 241 ALA B C 1 +ATOM 4668 O O . ALA B 1 241 ? 32.372 4.379 69.937 1.00 24.89 ? 241 ALA B O 1 +ATOM 4669 C CB . ALA B 1 241 ? 31.976 1.197 68.505 1.00 19.68 ? 241 ALA B CB 1 +ATOM 4670 N N . LEU B 1 242 ? 31.218 2.860 71.127 1.00 21.44 ? 242 LEU B N 1 +ATOM 4671 C CA . LEU B 1 242 ? 30.546 3.891 71.893 1.00 26.72 ? 242 LEU B CA 1 +ATOM 4672 C C . LEU B 1 242 ? 31.527 4.905 72.506 1.00 31.78 ? 242 LEU B C 1 +ATOM 4673 O O . LEU B 1 242 ? 31.292 6.113 72.525 1.00 29.17 ? 242 LEU B O 1 +ATOM 4674 C CB . LEU B 1 242 ? 29.553 3.339 72.941 1.00 27.62 ? 242 LEU B CB 1 +ATOM 4675 C CG . LEU B 1 242 ? 28.458 2.443 72.352 1.00 25.74 ? 242 LEU B CG 1 +ATOM 4676 C CD1 . LEU B 1 242 ? 27.575 1.848 73.440 1.00 33.26 ? 242 LEU B CD1 1 +ATOM 4677 C CD2 . LEU B 1 242 ? 27.558 3.201 71.379 1.00 20.88 ? 242 LEU B CD2 1 +ATOM 4678 N N . GLU B 1 243 ? 32.677 4.468 73.012 1.00 29.35 ? 243 GLU B N 1 +ATOM 4679 C CA . GLU B 1 243 ? 33.591 5.478 73.565 1.00 29.01 ? 243 GLU B CA 1 +ATOM 4680 C C . GLU B 1 243 ? 34.168 6.299 72.469 1.00 28.79 ? 243 GLU B C 1 +ATOM 4681 O O . GLU B 1 243 ? 34.283 7.502 72.573 1.00 37.68 ? 243 GLU B O 1 +ATOM 4682 C CB . GLU B 1 243 ? 34.705 4.888 74.408 1.00 21.00 ? 243 GLU B CB 1 +ATOM 4683 C CG . GLU B 1 243 ? 34.037 3.966 75.432 1.00 96.42 ? 243 GLU B CG 1 +ATOM 4684 C CD . GLU B 1 243 ? 34.961 3.277 76.385 1.00 100.00 ? 243 GLU B CD 1 +ATOM 4685 O OE1 . GLU B 1 243 ? 36.181 3.322 76.214 1.00 100.00 ? 243 GLU B OE1 1 +ATOM 4686 O OE2 . GLU B 1 243 ? 34.312 2.669 77.360 1.00 100.00 ? 243 GLU B OE2 1 +ATOM 4687 N N . PHE B 1 244 ? 34.515 5.593 71.411 1.00 29.70 ? 244 PHE B N 1 +ATOM 4688 C CA . PHE B 1 244 ? 35.068 6.237 70.242 1.00 28.86 ? 244 PHE B CA 1 +ATOM 4689 C C . PHE B 1 244 ? 34.133 7.342 69.785 1.00 28.83 ? 244 PHE B C 1 +ATOM 4690 O O . PHE B 1 244 ? 34.544 8.457 69.516 1.00 26.50 ? 244 PHE B O 1 +ATOM 4691 C CB . PHE B 1 244 ? 35.190 5.199 69.119 1.00 31.68 ? 244 PHE B CB 1 +ATOM 4692 C CG . PHE B 1 244 ? 35.751 5.808 67.865 1.00 29.54 ? 244 PHE B CG 1 +ATOM 4693 C CD1 . PHE B 1 244 ? 37.114 6.118 67.791 1.00 22.42 ? 244 PHE B CD1 1 +ATOM 4694 C CD2 . PHE B 1 244 ? 34.923 6.127 66.787 1.00 29.60 ? 244 PHE B CD2 1 +ATOM 4695 C CE1 . PHE B 1 244 ? 37.665 6.662 66.637 1.00 21.87 ? 244 PHE B CE1 1 +ATOM 4696 C CE2 . PHE B 1 244 ? 35.450 6.696 65.631 1.00 20.38 ? 244 PHE B CE2 1 +ATOM 4697 C CZ . PHE B 1 244 ? 36.818 6.958 65.570 1.00 13.57 ? 244 PHE B CZ 1 +ATOM 4698 N N . ALA B 1 245 ? 32.842 7.025 69.670 1.00 31.47 ? 245 ALA B N 1 +ATOM 4699 C CA . ALA B 1 245 ? 31.956 8.081 69.250 1.00 28.35 ? 245 ALA B CA 1 +ATOM 4700 C C . ALA B 1 245 ? 31.919 9.185 70.299 1.00 31.07 ? 245 ALA B C 1 +ATOM 4701 O O . ALA B 1 245 ? 31.899 10.362 69.975 1.00 24.13 ? 245 ALA B O 1 +ATOM 4702 C CB . ALA B 1 245 ? 30.587 7.557 68.909 1.00 23.84 ? 245 ALA B CB 1 +ATOM 4703 N N . ARG B 1 246 ? 31.962 8.801 71.578 1.00 31.28 ? 246 ARG B N 1 +ATOM 4704 C CA . ARG B 1 246 ? 31.968 9.782 72.647 1.00 27.63 ? 246 ARG B CA 1 +ATOM 4705 C C . ARG B 1 246 ? 33.153 10.727 72.554 1.00 26.92 ? 246 ARG B C 1 +ATOM 4706 O O . ARG B 1 246 ? 33.120 11.897 72.941 1.00 36.89 ? 246 ARG B O 1 +ATOM 4707 C CB . ARG B 1 246 ? 31.873 9.118 74.002 1.00 34.72 ? 246 ARG B CB 1 +ATOM 4708 C CG . ARG B 1 246 ? 31.428 10.089 75.081 1.00 100.00 ? 246 ARG B CG 1 +ATOM 4709 C CD . ARG B 1 246 ? 31.071 9.394 76.399 1.00 100.00 ? 246 ARG B CD 1 +ATOM 4710 N NE . ARG B 1 246 ? 30.205 8.229 76.228 1.00 87.39 ? 246 ARG B NE 1 +ATOM 4711 C CZ . ARG B 1 246 ? 30.600 7.007 76.612 1.00 100.00 ? 246 ARG B CZ 1 +ATOM 4712 N NH1 . ARG B 1 246 ? 31.804 6.758 77.153 1.00 100.00 ? 246 ARG B NH1 1 +ATOM 4713 N NH2 . ARG B 1 246 ? 29.755 5.982 76.414 1.00 100.00 ? 246 ARG B NH2 1 +ATOM 4714 N N . LYS B 1 247 ? 34.223 10.231 71.988 1.00 24.94 ? 247 LYS B N 1 +ATOM 4715 C CA . LYS B 1 247 ? 35.428 11.044 71.825 1.00 16.39 ? 247 LYS B CA 1 +ATOM 4716 C C . LYS B 1 247 ? 35.359 11.939 70.597 1.00 25.98 ? 247 LYS B C 1 +ATOM 4717 O O . LYS B 1 247 ? 36.306 12.657 70.240 1.00 31.21 ? 247 LYS B O 1 +ATOM 4718 C CB . LYS B 1 247 ? 36.674 10.182 71.690 1.00 23.75 ? 247 LYS B CB 1 +ATOM 4719 C CG . LYS B 1 247 ? 37.445 9.954 72.961 1.00 99.75 ? 247 LYS B CG 1 +ATOM 4720 C CD . LYS B 1 247 ? 38.100 8.588 72.968 1.00 100.00 ? 247 LYS B CD 1 +ATOM 4721 C CE . LYS B 1 247 ? 38.735 8.217 74.311 1.00 100.00 ? 247 LYS B CE 1 +ATOM 4722 N NZ . LYS B 1 247 ? 39.971 7.460 74.148 1.00 100.00 ? 247 LYS B NZ 1 +ATOM 4723 N N . GLY B 1 248 ? 34.233 11.850 69.920 1.00 22.46 ? 248 GLY B N 1 +ATOM 4724 C CA . GLY B 1 248 ? 33.992 12.665 68.749 1.00 15.53 ? 248 GLY B CA 1 +ATOM 4725 C C . GLY B 1 248 ? 33.957 11.853 67.451 1.00 37.85 ? 248 GLY B C 1 +ATOM 4726 O O . GLY B 1 248 ? 33.640 12.362 66.360 1.00 26.94 ? 248 GLY B O 1 +ATOM 4727 N N . GLY B 1 249 ? 34.300 10.575 67.535 1.00 20.66 ? 249 GLY B N 1 +ATOM 4728 C CA . GLY B 1 249 ? 34.242 9.840 66.288 1.00 29.42 ? 249 GLY B CA 1 +ATOM 4729 C C . GLY B 1 249 ? 32.803 9.532 65.849 1.00 37.50 ? 249 GLY B C 1 +ATOM 4730 O O . GLY B 1 249 ? 31.862 9.635 66.654 1.00 23.08 ? 249 GLY B O 1 +ATOM 4731 N N . THR B 1 250 ? 32.644 9.167 64.564 1.00 20.18 ? 250 THR B N 1 +ATOM 4732 C CA . THR B 1 250 ? 31.333 8.741 64.073 1.00 16.54 ? 250 THR B CA 1 +ATOM 4733 C C . THR B 1 250 ? 31.464 7.237 63.951 1.00 23.31 ? 250 THR B C 1 +ATOM 4734 O O . THR B 1 250 ? 32.591 6.724 63.822 1.00 23.44 ? 250 THR B O 1 +ATOM 4735 C CB . THR B 1 250 ? 30.988 9.341 62.733 1.00 15.30 ? 250 THR B CB 1 +ATOM 4736 O OG1 . THR B 1 250 ? 30.575 10.653 62.973 1.00 55.17 ? 250 THR B OG1 1 +ATOM 4737 C CG2 . THR B 1 250 ? 29.846 8.585 62.065 1.00 24.32 ? 250 THR B CG2 1 +ATOM 4738 N N . ILE B 1 251 ? 30.354 6.530 64.027 1.00 21.13 ? 251 ILE B N 1 +ATOM 4739 C CA . ILE B 1 251 ? 30.370 5.086 63.912 1.00 19.93 ? 251 ILE B CA 1 +ATOM 4740 C C . ILE B 1 251 ? 29.324 4.566 62.937 1.00 7.21 ? 251 ILE B C 1 +ATOM 4741 O O . ILE B 1 251 ? 28.205 5.050 62.860 1.00 26.48 ? 251 ILE B O 1 +ATOM 4742 C CB . ILE B 1 251 ? 30.265 4.308 65.212 1.00 28.58 ? 251 ILE B CB 1 +ATOM 4743 C CG1 . ILE B 1 251 ? 28.870 4.514 65.790 1.00 36.64 ? 251 ILE B CG1 1 +ATOM 4744 C CG2 . ILE B 1 251 ? 31.382 4.693 66.164 1.00 23.50 ? 251 ILE B CG2 1 +ATOM 4745 C CD1 . ILE B 1 251 ? 28.633 3.721 67.069 1.00 26.29 ? 251 ILE B CD1 1 +ATOM 4746 N N . ASP B 1 252 ? 29.709 3.522 62.208 1.00 19.87 ? 252 ASP B N 1 +ATOM 4747 C CA . ASP B 1 252 ? 28.829 2.895 61.253 1.00 19.71 ? 252 ASP B CA 1 +ATOM 4748 C C . ASP B 1 252 ? 28.398 1.495 61.682 1.00 18.29 ? 252 ASP B C 1 +ATOM 4749 O O . ASP B 1 252 ? 29.185 0.546 61.823 1.00 23.67 ? 252 ASP B O 1 +ATOM 4750 C CB . ASP B 1 252 ? 29.469 2.826 59.872 1.00 25.86 ? 252 ASP B CB 1 +ATOM 4751 C CG . ASP B 1 252 ? 28.578 2.288 58.793 1.00 25.99 ? 252 ASP B CG 1 +ATOM 4752 O OD1 . ASP B 1 252 ? 28.793 1.270 58.182 1.00 22.45 ? 252 ASP B OD1 1 +ATOM 4753 O OD2 . ASP B 1 252 ? 27.640 3.107 58.484 1.00 27.12 ? 252 ASP B OD2 1 +ATOM 4754 N N . ILE B 1 253 ? 27.079 1.400 61.849 1.00 18.83 ? 253 ILE B N 1 +ATOM 4755 C CA . ILE B 1 253 ? 26.398 0.177 62.177 1.00 20.41 ? 253 ILE B CA 1 +ATOM 4756 C C . ILE B 1 253 ? 25.908 -0.513 60.894 1.00 14.40 ? 253 ILE B C 1 +ATOM 4757 O O . ILE B 1 253 ? 25.367 0.151 59.971 1.00 20.27 ? 253 ILE B O 1 +ATOM 4758 C CB . ILE B 1 253 ? 25.261 0.484 63.124 1.00 26.53 ? 253 ILE B CB 1 +ATOM 4759 C CG1 . ILE B 1 253 ? 25.782 1.035 64.437 1.00 14.03 ? 253 ILE B CG1 1 +ATOM 4760 C CG2 . ILE B 1 253 ? 24.473 -0.768 63.425 1.00 37.51 ? 253 ILE B CG2 1 +ATOM 4761 C CD1 . ILE B 1 253 ? 24.619 1.720 65.164 1.00 31.20 ? 253 ILE B CD1 1 +ATOM 4762 N N . THR B 1 254 ? 26.136 -1.828 60.843 1.00 20.58 ? 254 THR B N 1 +ATOM 4763 C CA . THR B 1 254 ? 25.770 -2.655 59.685 1.00 17.83 ? 254 THR B CA 1 +ATOM 4764 C C . THR B 1 254 ? 24.446 -3.324 59.845 1.00 28.93 ? 254 THR B C 1 +ATOM 4765 O O . THR B 1 254 ? 24.324 -4.211 60.675 1.00 25.18 ? 254 THR B O 1 +ATOM 4766 C CB . THR B 1 254 ? 26.805 -3.740 59.407 1.00 22.48 ? 254 THR B CB 1 +ATOM 4767 O OG1 . THR B 1 254 ? 28.038 -3.088 59.345 1.00 49.21 ? 254 THR B OG1 1 +ATOM 4768 C CG2 . THR B 1 254 ? 26.433 -4.417 58.085 1.00 18.89 ? 254 THR B CG2 1 +ATOM 4769 N N . SER B 1 255 ? 23.481 -2.930 59.019 1.00 20.09 ? 255 SER B N 1 +ATOM 4770 C CA . SER B 1 255 ? 22.146 -3.500 59.157 1.00 24.20 ? 255 SER B CA 1 +ATOM 4771 C C . SER B 1 255 ? 21.994 -4.965 58.872 1.00 39.61 ? 255 SER B C 1 +ATOM 4772 O O . SER B 1 255 ? 20.989 -5.562 59.245 1.00 38.19 ? 255 SER B O 1 +ATOM 4773 C CB . SER B 1 255 ? 21.090 -2.784 58.357 1.00 10.51 ? 255 SER B CB 1 +ATOM 4774 O OG . SER B 1 255 ? 21.366 -2.877 56.964 1.00 23.97 ? 255 SER B OG 1 +ATOM 4775 N N . SER B 1 256 ? 22.963 -5.517 58.176 1.00 24.89 ? 256 SER B N 1 +ATOM 4776 C CA . SER B 1 256 ? 22.906 -6.911 57.829 1.00 28.17 ? 256 SER B CA 1 +ATOM 4777 C C . SER B 1 256 ? 23.478 -7.771 58.915 1.00 31.65 ? 256 SER B C 1 +ATOM 4778 O O . SER B 1 256 ? 23.642 -8.963 58.705 1.00 34.67 ? 256 SER B O 1 +ATOM 4779 C CB . SER B 1 256 ? 23.606 -7.174 56.506 1.00 26.06 ? 256 SER B CB 1 +ATOM 4780 O OG . SER B 1 256 ? 24.907 -6.600 56.519 1.00 63.21 ? 256 SER B OG 1 +ATOM 4781 N N . ILE B 1 257 ? 23.805 -7.144 60.059 1.00 25.00 ? 257 ILE B N 1 +ATOM 4782 C CA . ILE B 1 257 ? 24.317 -7.900 61.179 1.00 27.79 ? 257 ILE B CA 1 +ATOM 4783 C C . ILE B 1 257 ? 23.256 -7.969 62.282 1.00 31.70 ? 257 ILE B C 1 +ATOM 4784 O O . ILE B 1 257 ? 22.951 -6.930 62.858 1.00 38.37 ? 257 ILE B O 1 +ATOM 4785 C CB . ILE B 1 257 ? 25.602 -7.295 61.685 1.00 34.97 ? 257 ILE B CB 1 +ATOM 4786 C CG1 . ILE B 1 257 ? 26.684 -7.527 60.643 1.00 38.08 ? 257 ILE B CG1 1 +ATOM 4787 C CG2 . ILE B 1 257 ? 25.947 -7.971 63.005 1.00 27.32 ? 257 ILE B CG2 1 +ATOM 4788 C CD1 . ILE B 1 257 ? 28.084 -7.029 61.038 1.00 29.65 ? 257 ILE B CD1 1 +ATOM 4789 N N . ASP B 1 258 ? 22.713 -9.175 62.574 1.00 34.31 ? 258 ASP B N 1 +ATOM 4790 C CA . ASP B 1 258 ? 21.683 -9.365 63.604 1.00 30.67 ? 258 ASP B CA 1 +ATOM 4791 C C . ASP B 1 258 ? 22.174 -9.827 64.959 1.00 45.33 ? 258 ASP B C 1 +ATOM 4792 O O . ASP B 1 258 ? 21.417 -9.798 65.925 1.00 45.98 ? 258 ASP B O 1 +ATOM 4793 C CB . ASP B 1 258 ? 20.674 -10.421 63.214 1.00 30.67 ? 258 ASP B CB 1 +ATOM 4794 C CG . ASP B 1 258 ? 20.063 -10.117 61.909 1.00 95.35 ? 258 ASP B CG 1 +ATOM 4795 O OD1 . ASP B 1 258 ? 19.911 -8.981 61.489 1.00 89.28 ? 258 ASP B OD1 1 +ATOM 4796 O OD2 . ASP B 1 258 ? 19.768 -11.211 61.252 1.00 100.00 ? 258 ASP B OD2 1 +ATOM 4797 N N . GLU B 1 259 ? 23.388 -10.334 65.012 1.00 32.67 ? 259 GLU B N 1 +ATOM 4798 C CA . GLU B 1 259 ? 23.891 -10.805 66.262 1.00 36.86 ? 259 GLU B CA 1 +ATOM 4799 C C . GLU B 1 259 ? 25.299 -10.274 66.318 1.00 39.11 ? 259 GLU B C 1 +ATOM 4800 O O . GLU B 1 259 ? 25.860 -10.119 65.252 1.00 48.95 ? 259 GLU B O 1 +ATOM 4801 C CB . GLU B 1 259 ? 23.886 -12.352 66.322 1.00 44.36 ? 259 GLU B CB 1 +ATOM 4802 C CG . GLU B 1 259 ? 22.505 -12.972 66.565 1.00 46.92 ? 259 GLU B CG 1 +ATOM 4803 C CD . GLU B 1 259 ? 22.519 -14.482 66.477 1.00 100.00 ? 259 GLU B CD 1 +ATOM 4804 O OE1 . GLU B 1 259 ? 23.472 -15.124 66.021 1.00 100.00 ? 259 GLU B OE1 1 +ATOM 4805 O OE2 . GLU B 1 259 ? 21.396 -15.042 66.932 1.00 100.00 ? 259 GLU B OE2 1 +ATOM 4806 N N . PRO B 1 260 ? 25.854 -9.988 67.511 1.00 31.78 ? 260 PRO B N 1 +ATOM 4807 C CA . PRO B 1 260 ? 25.166 -10.142 68.785 1.00 26.42 ? 260 PRO B CA 1 +ATOM 4808 C C . PRO B 1 260 ? 24.377 -8.865 69.083 1.00 39.45 ? 260 PRO B C 1 +ATOM 4809 O O . PRO B 1 260 ? 23.462 -8.843 69.893 1.00 31.08 ? 260 PRO B O 1 +ATOM 4810 C CB . PRO B 1 260 ? 26.271 -10.328 69.834 1.00 20.37 ? 260 PRO B CB 1 +ATOM 4811 C CG . PRO B 1 260 ? 27.552 -9.777 69.224 1.00 21.61 ? 260 PRO B CG 1 +ATOM 4812 C CD . PRO B 1 260 ? 27.293 -9.678 67.726 1.00 27.89 ? 260 PRO B CD 1 +ATOM 4813 N N . VAL B 1 261 ? 24.729 -7.764 68.419 1.00 33.69 ? 261 VAL B N 1 +ATOM 4814 C CA . VAL B 1 261 ? 24.013 -6.525 68.615 1.00 31.31 ? 261 VAL B CA 1 +ATOM 4815 C C . VAL B 1 261 ? 23.168 -6.225 67.383 1.00 20.65 ? 261 VAL B C 1 +ATOM 4816 O O . VAL B 1 261 ? 23.700 -6.031 66.322 1.00 34.33 ? 261 VAL B O 1 +ATOM 4817 C CB . VAL B 1 261 ? 24.961 -5.358 68.876 1.00 26.45 ? 261 VAL B CB 1 +ATOM 4818 C CG1 . VAL B 1 261 ? 24.157 -4.108 69.201 1.00 34.94 ? 261 VAL B CG1 1 +ATOM 4819 C CG2 . VAL B 1 261 ? 25.941 -5.683 69.992 1.00 23.99 ? 261 VAL B CG2 1 +ATOM 4820 N N . ALA B 1 262 ? 21.860 -6.213 67.503 1.00 26.63 ? 262 ALA B N 1 +ATOM 4821 C CA . ALA B 1 262 ? 21.010 -5.895 66.365 1.00 26.14 ? 262 ALA B CA 1 +ATOM 4822 C C . ALA B 1 262 ? 21.139 -4.413 65.998 1.00 24.53 ? 262 ALA B C 1 +ATOM 4823 O O . ALA B 1 262 ? 21.340 -3.559 66.869 1.00 35.05 ? 262 ALA B O 1 +ATOM 4824 C CB . ALA B 1 262 ? 19.557 -6.210 66.702 1.00 16.09 ? 262 ALA B CB 1 +ATOM 4825 N N . PRO B 1 263 ? 20.967 -4.104 64.701 1.00 14.50 ? 263 PRO B N 1 +ATOM 4826 C CA . PRO B 1 263 ? 21.035 -2.727 64.178 1.00 15.60 ? 263 PRO B CA 1 +ATOM 4827 C C . PRO B 1 263 ? 20.247 -1.661 64.984 1.00 32.96 ? 263 PRO B C 1 +ATOM 4828 O O . PRO B 1 263 ? 20.770 -0.613 65.417 1.00 27.99 ? 263 PRO B O 1 +ATOM 4829 C CB . PRO B 1 263 ? 20.568 -2.793 62.728 1.00 8.59 ? 263 PRO B CB 1 +ATOM 4830 C CG . PRO B 1 263 ? 20.577 -4.249 62.337 1.00 23.66 ? 263 PRO B CG 1 +ATOM 4831 C CD . PRO B 1 263 ? 20.633 -5.060 63.635 1.00 11.06 ? 263 PRO B CD 1 +ATOM 4832 N N . ALA B 1 264 ? 18.954 -1.886 65.162 1.00 35.00 ? 264 ALA B N 1 +ATOM 4833 C CA . ALA B 1 264 ? 18.109 -0.938 65.905 1.00 26.99 ? 264 ALA B CA 1 +ATOM 4834 C C . ALA B 1 264 ? 18.594 -0.863 67.338 1.00 29.32 ? 264 ALA B C 1 +ATOM 4835 O O . ALA B 1 264 ? 18.661 0.174 68.002 1.00 41.86 ? 264 ALA B O 1 +ATOM 4836 C CB . ALA B 1 264 ? 16.663 -1.432 65.922 1.00 24.38 ? 264 ALA B CB 1 +ATOM 4837 N N . GLU B 1 265 ? 18.961 -2.009 67.814 1.00 20.95 ? 265 GLU B N 1 +ATOM 4838 C CA . GLU B 1 265 ? 19.416 -2.045 69.153 1.00 12.79 ? 265 GLU B CA 1 +ATOM 4839 C C . GLU B 1 265 ? 20.591 -1.146 69.343 1.00 33.10 ? 265 GLU B C 1 +ATOM 4840 O O . GLU B 1 265 ? 20.680 -0.386 70.324 1.00 24.73 ? 265 GLU B O 1 +ATOM 4841 C CB . GLU B 1 265 ? 19.766 -3.502 69.520 1.00 17.68 ? 265 GLU B CB 1 +ATOM 4842 C CG . GLU B 1 265 ? 20.105 -3.738 71.011 1.00 34.96 ? 265 GLU B CG 1 +ATOM 4843 C CD . GLU B 1 265 ? 20.822 -5.046 71.249 1.00 100.00 ? 265 GLU B CD 1 +ATOM 4844 O OE1 . GLU B 1 265 ? 20.867 -5.944 70.412 1.00 46.69 ? 265 GLU B OE1 1 +ATOM 4845 O OE2 . GLU B 1 265 ? 21.383 -5.110 72.433 1.00 66.17 ? 265 GLU B OE2 1 +ATOM 4846 N N . GLY B 1 266 ? 21.525 -1.262 68.392 1.00 34.98 ? 266 GLY B N 1 +ATOM 4847 C CA . GLY B 1 266 ? 22.772 -0.510 68.484 1.00 18.90 ? 266 GLY B CA 1 +ATOM 4848 C C . GLY B 1 266 ? 22.559 0.994 68.489 1.00 25.26 ? 266 GLY B C 1 +ATOM 4849 O O . GLY B 1 266 ? 23.188 1.811 69.188 1.00 22.49 ? 266 GLY B O 1 +ATOM 4850 N N . ILE B 1 267 ? 21.684 1.378 67.618 1.00 21.75 ? 267 ILE B N 1 +ATOM 4851 C CA . ILE B 1 267 ? 21.369 2.771 67.464 1.00 19.96 ? 267 ILE B CA 1 +ATOM 4852 C C . ILE B 1 267 ? 20.778 3.229 68.781 1.00 29.60 ? 267 ILE B C 1 +ATOM 4853 O O . ILE B 1 267 ? 21.265 4.166 69.386 1.00 41.87 ? 267 ILE B O 1 +ATOM 4854 C CB . ILE B 1 267 ? 20.439 2.915 66.254 1.00 25.18 ? 267 ILE B CB 1 +ATOM 4855 C CG1 . ILE B 1 267 ? 21.196 2.423 65.025 1.00 32.56 ? 267 ILE B CG1 1 +ATOM 4856 C CG2 . ILE B 1 267 ? 19.953 4.335 66.000 1.00 27.75 ? 267 ILE B CG2 1 +ATOM 4857 C CD1 . ILE B 1 267 ? 20.595 2.887 63.700 1.00 19.53 ? 267 ILE B CD1 1 +ATOM 4858 N N . ALA B 1 268 ? 19.773 2.526 69.254 1.00 26.96 ? 268 ALA B N 1 +ATOM 4859 C CA . ALA B 1 268 ? 19.206 2.931 70.502 1.00 25.00 ? 268 ALA B CA 1 +ATOM 4860 C C . ALA B 1 268 ? 20.241 3.088 71.593 1.00 36.31 ? 268 ALA B C 1 +ATOM 4861 O O . ALA B 1 268 ? 20.184 4.114 72.306 1.00 26.97 ? 268 ALA B O 1 +ATOM 4862 C CB . ALA B 1 268 ? 18.034 2.054 70.913 1.00 23.52 ? 268 ALA B CB 1 +ATOM 4863 N N . ARG B 1 269 ? 21.175 2.103 71.705 1.00 23.65 ? 269 ARG B N 1 +ATOM 4864 C CA . ARG B 1 269 ? 22.191 2.150 72.760 1.00 15.87 ? 269 ARG B CA 1 +ATOM 4865 C C . ARG B 1 269 ? 23.081 3.325 72.630 1.00 23.98 ? 269 ARG B C 1 +ATOM 4866 O O . ARG B 1 269 ? 23.503 3.911 73.592 1.00 30.05 ? 269 ARG B O 1 +ATOM 4867 C CB . ARG B 1 269 ? 23.014 0.902 72.909 1.00 20.05 ? 269 ARG B CB 1 +ATOM 4868 C CG . ARG B 1 269 ? 22.185 -0.208 73.537 1.00 53.36 ? 269 ARG B CG 1 +ATOM 4869 C CD . ARG B 1 269 ? 22.875 -1.564 73.570 1.00 53.96 ? 269 ARG B CD 1 +ATOM 4870 N NE . ARG B 1 269 ? 24.084 -1.588 74.401 1.00 100.00 ? 269 ARG B NE 1 +ATOM 4871 C CZ . ARG B 1 269 ? 24.784 -2.688 74.687 1.00 100.00 ? 269 ARG B CZ 1 +ATOM 4872 N NH1 . ARG B 1 269 ? 24.440 -3.891 74.207 1.00 100.00 ? 269 ARG B NH1 1 +ATOM 4873 N NH2 . ARG B 1 269 ? 25.874 -2.549 75.455 1.00 100.00 ? 269 ARG B NH2 1 +ATOM 4874 N N . ALA B 1 270 ? 23.365 3.684 71.403 1.00 25.04 ? 270 ALA B N 1 +ATOM 4875 C CA . ALA B 1 270 ? 24.220 4.827 71.206 1.00 23.34 ? 270 ALA B CA 1 +ATOM 4876 C C . ALA B 1 270 ? 23.562 6.086 71.760 1.00 26.39 ? 270 ALA B C 1 +ATOM 4877 O O . ALA B 1 270 ? 24.169 6.927 72.448 1.00 31.57 ? 270 ALA B O 1 +ATOM 4878 C CB . ALA B 1 270 ? 24.544 4.989 69.744 1.00 15.16 ? 270 ALA B CB 1 +ATOM 4879 N N . VAL B 1 271 ? 22.293 6.213 71.464 1.00 26.72 ? 271 VAL B N 1 +ATOM 4880 C CA . VAL B 1 271 ? 21.619 7.331 72.037 1.00 29.11 ? 271 VAL B CA 1 +ATOM 4881 C C . VAL B 1 271 ? 21.643 7.295 73.573 1.00 20.04 ? 271 VAL B C 1 +ATOM 4882 O O . VAL B 1 271 ? 22.128 8.249 74.221 1.00 32.00 ? 271 VAL B O 1 +ATOM 4883 C CB . VAL B 1 271 ? 20.223 7.371 71.536 1.00 39.87 ? 271 VAL B CB 1 +ATOM 4884 C CG1 . VAL B 1 271 ? 19.514 8.411 72.408 1.00 50.19 ? 271 VAL B CG1 1 +ATOM 4885 C CG2 . VAL B 1 271 ? 20.307 7.795 70.081 1.00 33.67 ? 271 VAL B CG2 1 +ATOM 4886 N N . GLN B 1 272 ? 21.094 6.216 74.145 1.00 30.08 ? 272 GLN B N 1 +ATOM 4887 C CA . GLN B 1 272 ? 21.068 6.086 75.594 1.00 28.82 ? 272 GLN B CA 1 +ATOM 4888 C C . GLN B 1 272 ? 22.432 6.441 76.176 1.00 34.75 ? 272 GLN B C 1 +ATOM 4889 O O . GLN B 1 272 ? 22.534 6.937 77.300 1.00 31.27 ? 272 GLN B O 1 +ATOM 4890 C CB . GLN B 1 272 ? 20.661 4.675 76.042 1.00 34.83 ? 272 GLN B CB 1 +ATOM 4891 C CG . GLN B 1 272 ? 19.209 4.374 75.683 1.00 34.04 ? 272 GLN B CG 1 +ATOM 4892 C CD . GLN B 1 272 ? 18.910 2.935 75.367 1.00 42.88 ? 272 GLN B CD 1 +ATOM 4893 O OE1 . GLN B 1 272 ? 19.720 2.004 75.596 1.00 75.48 ? 272 GLN B OE1 1 +ATOM 4894 N NE2 . GLN B 1 272 ? 17.692 2.788 74.860 1.00 35.50 ? 272 GLN B NE2 1 +ATOM 4895 N N . ALA B 1 273 ? 23.472 6.180 75.366 1.00 17.26 ? 273 ALA B N 1 +ATOM 4896 C CA . ALA B 1 273 ? 24.858 6.416 75.738 1.00 25.81 ? 273 ALA B CA 1 +ATOM 4897 C C . ALA B 1 273 ? 25.190 7.878 75.668 1.00 42.93 ? 273 ALA B C 1 +ATOM 4898 O O . ALA B 1 273 ? 26.275 8.336 76.057 1.00 34.72 ? 273 ALA B O 1 +ATOM 4899 C CB . ALA B 1 273 ? 25.817 5.594 74.876 1.00 22.10 ? 273 ALA B CB 1 +ATOM 4900 N N . GLY B 1 274 ? 24.220 8.611 75.174 1.00 43.16 ? 274 GLY B N 1 +ATOM 4901 C CA . GLY B 1 274 ? 24.451 10.017 75.088 1.00 35.21 ? 274 GLY B CA 1 +ATOM 4902 C C . GLY B 1 274 ? 25.170 10.409 73.829 1.00 35.84 ? 274 GLY B C 1 +ATOM 4903 O O . GLY B 1 274 ? 25.744 11.488 73.740 1.00 27.28 ? 274 GLY B O 1 +ATOM 4904 N N . ILE B 1 275 ? 25.113 9.569 72.817 1.00 40.61 ? 275 ILE B N 1 +ATOM 4905 C CA . ILE B 1 275 ? 25.750 9.973 71.572 1.00 32.30 ? 275 ILE B CA 1 +ATOM 4906 C C . ILE B 1 275 ? 24.705 10.495 70.629 1.00 27.62 ? 275 ILE B C 1 +ATOM 4907 O O . ILE B 1 275 ? 23.650 9.912 70.440 1.00 30.41 ? 275 ILE B O 1 +ATOM 4908 C CB . ILE B 1 275 ? 26.475 8.826 70.896 1.00 39.55 ? 275 ILE B CB 1 +ATOM 4909 C CG1 . ILE B 1 275 ? 27.580 8.340 71.803 1.00 34.09 ? 275 ILE B CG1 1 +ATOM 4910 C CG2 . ILE B 1 275 ? 27.029 9.233 69.545 1.00 21.43 ? 275 ILE B CG2 1 +ATOM 4911 C CD1 . ILE B 1 275 ? 28.050 6.941 71.443 1.00 66.61 ? 275 ILE B CD1 1 +ATOM 4912 N N . PRO B 1 276 ? 25.019 11.598 70.030 1.00 18.32 ? 276 PRO B N 1 +ATOM 4913 C CA . PRO B 1 276 ? 24.161 12.231 69.058 1.00 23.41 ? 276 PRO B CA 1 +ATOM 4914 C C . PRO B 1 276 ? 23.978 11.419 67.768 1.00 26.76 ? 276 PRO B C 1 +ATOM 4915 O O . PRO B 1 276 ? 24.898 10.928 67.139 1.00 25.35 ? 276 PRO B O 1 +ATOM 4916 C CB . PRO B 1 276 ? 24.906 13.500 68.673 1.00 22.85 ? 276 PRO B CB 1 +ATOM 4917 C CG . PRO B 1 276 ? 26.241 13.484 69.380 1.00 27.48 ? 276 PRO B CG 1 +ATOM 4918 C CD . PRO B 1 276 ? 26.300 12.234 70.222 1.00 25.34 ? 276 PRO B CD 1 +ATOM 4919 N N . LEU B 1 277 ? 22.750 11.299 67.336 1.00 24.86 ? 277 LEU B N 1 +ATOM 4920 C CA . LEU B 1 277 ? 22.439 10.588 66.115 1.00 27.30 ? 277 LEU B CA 1 +ATOM 4921 C C . LEU B 1 277 ? 23.284 11.059 64.951 1.00 29.28 ? 277 LEU B C 1 +ATOM 4922 O O . LEU B 1 277 ? 23.492 10.356 63.978 1.00 31.73 ? 277 LEU B O 1 +ATOM 4923 C CB . LEU B 1 277 ? 20.956 10.807 65.728 1.00 28.04 ? 277 LEU B CB 1 +ATOM 4924 C CG . LEU B 1 277 ? 20.007 9.789 66.333 1.00 29.21 ? 277 LEU B CG 1 +ATOM 4925 C CD1 . LEU B 1 277 ? 18.582 10.119 65.922 1.00 42.10 ? 277 LEU B CD1 1 +ATOM 4926 C CD2 . LEU B 1 277 ? 20.357 8.438 65.755 1.00 19.96 ? 277 LEU B CD2 1 +ATOM 4927 N N . ALA B 1 278 ? 23.764 12.282 65.019 1.00 22.07 ? 278 ALA B N 1 +ATOM 4928 C CA . ALA B 1 278 ? 24.584 12.801 63.922 1.00 22.95 ? 278 ALA B CA 1 +ATOM 4929 C C . ALA B 1 278 ? 25.864 12.020 63.735 1.00 32.63 ? 278 ALA B C 1 +ATOM 4930 O O . ALA B 1 278 ? 26.434 12.082 62.666 1.00 26.50 ? 278 ALA B O 1 +ATOM 4931 C CB . ALA B 1 278 ? 25.009 14.246 64.146 1.00 18.63 ? 278 ALA B CB 1 +ATOM 4932 N N . ARG B 1 279 ? 26.336 11.365 64.804 1.00 24.08 ? 279 ARG B N 1 +ATOM 4933 C CA . ARG B 1 279 ? 27.570 10.603 64.768 1.00 23.49 ? 279 ARG B CA 1 +ATOM 4934 C C . ARG B 1 279 ? 27.289 9.090 64.644 1.00 22.75 ? 279 ARG B C 1 +ATOM 4935 O O . ARG B 1 279 ? 28.091 8.226 65.005 1.00 32.09 ? 279 ARG B O 1 +ATOM 4936 C CB . ARG B 1 279 ? 28.368 10.937 66.030 1.00 12.17 ? 279 ARG B CB 1 +ATOM 4937 C CG . ARG B 1 279 ? 29.076 12.284 65.913 1.00 15.63 ? 279 ARG B CG 1 +ATOM 4938 C CD . ARG B 1 279 ? 30.426 12.405 66.657 1.00 26.31 ? 279 ARG B CD 1 +ATOM 4939 N NE . ARG B 1 279 ? 30.394 12.110 68.099 1.00 53.07 ? 279 ARG B NE 1 +ATOM 4940 C CZ . ARG B 1 279 ? 30.155 12.993 69.083 1.00 20.72 ? 279 ARG B CZ 1 +ATOM 4941 N NH1 . ARG B 1 279 ? 29.930 14.282 68.848 1.00 97.17 ? 279 ARG B NH1 1 +ATOM 4942 N NH2 . ARG B 1 279 ? 30.193 12.558 70.341 1.00 73.31 ? 279 ARG B NH2 1 +ATOM 4943 N N . VAL B 1 280 ? 26.108 8.757 64.133 1.00 16.28 ? 280 VAL B N 1 +ATOM 4944 C CA . VAL B 1 280 ? 25.702 7.357 63.987 1.00 17.12 ? 280 VAL B CA 1 +ATOM 4945 C C . VAL B 1 280 ? 25.145 7.129 62.599 1.00 39.10 ? 280 VAL B C 1 +ATOM 4946 O O . VAL B 1 280 ? 24.168 7.774 62.181 1.00 26.86 ? 280 VAL B O 1 +ATOM 4947 C CB . VAL B 1 280 ? 24.619 6.982 64.977 1.00 27.05 ? 280 VAL B CB 1 +ATOM 4948 C CG1 . VAL B 1 280 ? 24.236 5.521 64.856 1.00 28.15 ? 280 VAL B CG1 1 +ATOM 4949 C CG2 . VAL B 1 280 ? 25.105 7.238 66.386 1.00 32.72 ? 280 VAL B CG2 1 +ATOM 4950 N N . THR B 1 281 ? 25.760 6.185 61.881 1.00 23.39 ? 281 THR B N 1 +ATOM 4951 C CA . THR B 1 281 ? 25.280 5.900 60.561 1.00 10.98 ? 281 THR B CA 1 +ATOM 4952 C C . THR B 1 281 ? 24.899 4.449 60.397 1.00 16.17 ? 281 THR B C 1 +ATOM 4953 O O . THR B 1 281 ? 25.375 3.590 61.119 1.00 15.98 ? 281 THR B O 1 +ATOM 4954 C CB . THR B 1 281 ? 26.292 6.333 59.483 1.00 21.76 ? 281 THR B CB 1 +ATOM 4955 O OG1 . THR B 1 281 ? 27.478 5.570 59.591 1.00 34.29 ? 281 THR B OG1 1 +ATOM 4956 C CG2 . THR B 1 281 ? 26.660 7.795 59.674 1.00 12.10 ? 281 THR B CG2 1 +ATOM 4957 N N . LEU B 1 282 ? 24.048 4.176 59.423 1.00 18.36 ? 282 LEU B N 1 +ATOM 4958 C CA . LEU B 1 282 ? 23.656 2.814 59.167 1.00 19.70 ? 282 LEU B CA 1 +ATOM 4959 C C . LEU B 1 282 ? 23.988 2.474 57.736 1.00 18.37 ? 282 LEU B C 1 +ATOM 4960 O O . LEU B 1 282 ? 23.647 3.231 56.841 1.00 27.16 ? 282 LEU B O 1 +ATOM 4961 C CB . LEU B 1 282 ? 22.132 2.656 59.356 1.00 15.88 ? 282 LEU B CB 1 +ATOM 4962 C CG . LEU B 1 282 ? 21.706 1.197 59.293 1.00 21.20 ? 282 LEU B CG 1 +ATOM 4963 C CD1 . LEU B 1 282 ? 21.980 0.497 60.602 1.00 24.12 ? 282 LEU B CD1 1 +ATOM 4964 C CD2 . LEU B 1 282 ? 20.227 1.066 58.930 1.00 17.46 ? 282 LEU B CD2 1 +ATOM 4965 N N . SER B 1 283 ? 24.658 1.365 57.512 1.00 18.92 ? 283 SER B N 1 +ATOM 4966 C CA . SER B 1 283 ? 24.969 0.947 56.150 1.00 24.15 ? 283 SER B CA 1 +ATOM 4967 C C . SER B 1 283 ? 24.567 -0.525 56.040 1.00 22.49 ? 283 SER B C 1 +ATOM 4968 O O . SER B 1 283 ? 24.475 -1.219 57.070 1.00 25.58 ? 283 SER B O 1 +ATOM 4969 C CB . SER B 1 283 ? 26.415 1.197 55.717 1.00 15.65 ? 283 SER B CB 1 +ATOM 4970 O OG . SER B 1 283 ? 27.257 0.501 56.604 1.00 26.65 ? 283 SER B OG 1 +ATOM 4971 N N . SER B 1 284 ? 24.309 -0.973 54.812 1.00 23.07 ? 284 SER B N 1 +ATOM 4972 C CA . SER B 1 284 ? 23.867 -2.342 54.501 1.00 23.21 ? 284 SER B CA 1 +ATOM 4973 C C . SER B 1 284 ? 24.931 -3.410 54.366 1.00 31.84 ? 284 SER B C 1 +ATOM 4974 O O . SER B 1 284 ? 24.781 -4.496 54.921 1.00 23.41 ? 284 SER B O 1 +ATOM 4975 C CB . SER B 1 284 ? 22.972 -2.436 53.263 1.00 30.02 ? 284 SER B CB 1 +ATOM 4976 O OG . SER B 1 284 ? 23.700 -2.310 52.030 1.00 21.23 ? 284 SER B OG 1 +ATOM 4977 N N . ASP B 1 285 ? 25.977 -3.112 53.582 1.00 35.29 ? 285 ASP B N 1 +ATOM 4978 C CA . ASP B 1 285 ? 27.041 -4.066 53.239 1.00 26.47 ? 285 ASP B CA 1 +ATOM 4979 C C . ASP B 1 285 ? 26.464 -4.973 52.145 1.00 35.18 ? 285 ASP B C 1 +ATOM 4980 O O . ASP B 1 285 ? 26.901 -6.104 51.957 1.00 34.43 ? 285 ASP B O 1 +ATOM 4981 C CB . ASP B 1 285 ? 27.511 -4.973 54.425 1.00 14.64 ? 285 ASP B CB 1 +ATOM 4982 C CG . ASP B 1 285 ? 28.879 -5.579 54.208 1.00 27.59 ? 285 ASP B CG 1 +ATOM 4983 O OD1 . ASP B 1 285 ? 29.555 -5.342 53.217 1.00 28.91 ? 285 ASP B OD1 1 +ATOM 4984 O OD2 . ASP B 1 285 ? 29.291 -6.348 55.194 1.00 31.78 ? 285 ASP B OD2 1 +ATOM 4985 N N . GLY B 1 286 ? 25.438 -4.467 51.459 1.00 28.29 ? 286 GLY B N 1 +ATOM 4986 C CA . GLY B 1 286 ? 24.751 -5.204 50.439 1.00 13.81 ? 286 GLY B CA 1 +ATOM 4987 C C . GLY B 1 286 ? 25.685 -5.737 49.381 1.00 36.42 ? 286 GLY B C 1 +ATOM 4988 O O . GLY B 1 286 ? 26.660 -5.081 48.993 1.00 30.48 ? 286 GLY B O 1 +ATOM 4989 N N . ASN B 1 287 ? 25.320 -6.956 48.933 1.00 21.94 ? 287 ASN B N 1 +ATOM 4990 C CA . ASN B 1 287 ? 26.033 -7.735 47.934 1.00 25.10 ? 287 ASN B CA 1 +ATOM 4991 C C . ASN B 1 287 ? 27.335 -8.330 48.330 1.00 23.68 ? 287 ASN B C 1 +ATOM 4992 O O . ASN B 1 287 ? 28.012 -8.868 47.495 1.00 23.02 ? 287 ASN B O 1 +ATOM 4993 C CB . ASN B 1 287 ? 26.129 -7.079 46.546 1.00 46.31 ? 287 ASN B CB 1 +ATOM 4994 C CG . ASN B 1 287 ? 24.982 -7.538 45.682 1.00 61.29 ? 287 ASN B CG 1 +ATOM 4995 O OD1 . ASN B 1 287 ? 23.861 -7.794 46.157 1.00 86.60 ? 287 ASN B OD1 1 +ATOM 4996 N ND2 . ASN B 1 287 ? 25.285 -7.656 44.385 1.00 98.27 ? 287 ASN B ND2 1 +ATOM 4997 N N . GLY B 1 288 ? 27.696 -8.204 49.601 1.00 28.92 ? 288 GLY B N 1 +ATOM 4998 C CA . GLY B 1 288 ? 28.890 -8.778 50.095 1.00 34.70 ? 288 GLY B CA 1 +ATOM 4999 C C . GLY B 1 288 ? 28.509 -10.162 50.616 1.00 57.76 ? 288 GLY B C 1 +ATOM 5000 O O . GLY B 1 288 ? 27.328 -10.529 50.690 1.00 51.17 ? 288 GLY B O 1 +ATOM 5001 N N . SER B 1 289 ? 29.504 -10.942 50.989 1.00 48.79 ? 289 SER B N 1 +ATOM 5002 C CA . SER B 1 289 ? 29.136 -12.224 51.499 1.00 41.32 ? 289 SER B CA 1 +ATOM 5003 C C . SER B 1 289 ? 29.050 -12.154 53.010 1.00 57.71 ? 289 SER B C 1 +ATOM 5004 O O . SER B 1 289 ? 29.649 -11.254 53.616 1.00 50.49 ? 289 SER B O 1 +ATOM 5005 C CB . SER B 1 289 ? 30.119 -13.293 51.097 1.00 27.71 ? 289 SER B CB 1 +ATOM 5006 O OG . SER B 1 289 ? 31.394 -12.954 51.595 1.00 34.03 ? 289 SER B OG 1 +ATOM 5007 N N . GLN B 1 290 ? 28.285 -13.083 53.532 1.00 51.44 ? 290 GLN B N 1 +ATOM 5008 C CA . GLN B 1 290 ? 28.109 -13.313 54.951 1.00 62.30 ? 290 GLN B CA 1 +ATOM 5009 C C . GLN B 1 290 ? 28.844 -14.608 55.262 1.00 54.49 ? 290 GLN B C 1 +ATOM 5010 O O . GLN B 1 290 ? 28.286 -15.730 55.222 1.00 45.69 ? 290 GLN B O 1 +ATOM 5011 C CB . GLN B 1 290 ? 26.622 -13.260 55.400 1.00 68.54 ? 290 GLN B CB 1 +ATOM 5012 C CG . GLN B 1 290 ? 25.886 -11.901 55.369 1.00 78.81 ? 290 GLN B CG 1 +ATOM 5013 C CD . GLN B 1 290 ? 24.384 -11.958 55.003 1.00 100.00 ? 290 GLN B CD 1 +ATOM 5014 O OE1 . GLN B 1 290 ? 23.725 -10.923 54.809 1.00 100.00 ? 290 GLN B OE1 1 +ATOM 5015 N NE2 . GLN B 1 290 ? 23.811 -13.170 54.964 1.00 100.00 ? 290 GLN B NE2 1 +ATOM 5016 N N . PRO B 1 291 ? 30.169 -14.435 55.432 1.00 49.29 ? 291 PRO B N 1 +ATOM 5017 C CA . PRO B 1 291 ? 31.057 -15.546 55.749 1.00 54.55 ? 291 PRO B CA 1 +ATOM 5018 C C . PRO B 1 291 ? 31.074 -15.765 57.238 1.00 67.45 ? 291 PRO B C 1 +ATOM 5019 O O . PRO B 1 291 ? 31.054 -14.825 58.019 1.00 61.27 ? 291 PRO B O 1 +ATOM 5020 C CB . PRO B 1 291 ? 32.471 -15.145 55.292 1.00 49.45 ? 291 PRO B CB 1 +ATOM 5021 C CG . PRO B 1 291 ? 32.384 -13.674 54.926 1.00 55.68 ? 291 PRO B CG 1 +ATOM 5022 C CD . PRO B 1 291 ? 30.954 -13.231 55.122 1.00 46.87 ? 291 PRO B CD 1 +ATOM 5023 N N . PHE B 1 292 ? 31.100 -17.039 57.605 1.00 69.55 ? 292 PHE B N 1 +ATOM 5024 C CA . PHE B 1 292 ? 31.131 -17.352 59.007 1.00 69.94 ? 292 PHE B CA 1 +ATOM 5025 C C . PHE B 1 292 ? 32.318 -18.256 59.263 1.00 66.53 ? 292 PHE B C 1 +ATOM 5026 O O . PHE B 1 292 ? 32.419 -19.343 58.696 1.00 64.07 ? 292 PHE B O 1 +ATOM 5027 C CB . PHE B 1 292 ? 29.815 -17.905 59.560 1.00 78.81 ? 292 PHE B CB 1 +ATOM 5028 C CG . PHE B 1 292 ? 28.669 -16.902 59.541 1.00 92.87 ? 292 PHE B CG 1 +ATOM 5029 C CD1 . PHE B 1 292 ? 28.027 -16.520 58.361 1.00 89.17 ? 292 PHE B CD1 1 +ATOM 5030 C CD2 . PHE B 1 292 ? 28.256 -16.290 60.727 1.00 100.00 ? 292 PHE B CD2 1 +ATOM 5031 C CE1 . PHE B 1 292 ? 26.917 -15.658 58.354 1.00 94.92 ? 292 PHE B CE1 1 +ATOM 5032 C CE2 . PHE B 1 292 ? 27.197 -15.378 60.728 1.00 100.00 ? 292 PHE B CE2 1 +ATOM 5033 C CZ . PHE B 1 292 ? 26.530 -15.053 59.544 1.00 100.00 ? 292 PHE B CZ 1 +ATOM 5034 N N . PHE B 1 293 ? 33.249 -17.784 60.093 1.00 57.87 ? 293 PHE B N 1 +ATOM 5035 C CA . PHE B 1 293 ? 34.424 -18.553 60.431 1.00 52.31 ? 293 PHE B CA 1 +ATOM 5036 C C . PHE B 1 293 ? 34.239 -19.254 61.774 1.00 65.11 ? 293 PHE B C 1 +ATOM 5037 O O . PHE B 1 293 ? 33.542 -18.768 62.669 1.00 53.19 ? 293 PHE B O 1 +ATOM 5038 C CB . PHE B 1 293 ? 35.722 -17.713 60.326 1.00 52.83 ? 293 PHE B CB 1 +ATOM 5039 C CG . PHE B 1 293 ? 36.011 -17.348 58.882 1.00 63.81 ? 293 PHE B CG 1 +ATOM 5040 C CD1 . PHE B 1 293 ? 35.397 -16.273 58.228 1.00 80.55 ? 293 PHE B CD1 1 +ATOM 5041 C CD2 . PHE B 1 293 ? 36.890 -18.137 58.141 1.00 56.98 ? 293 PHE B CD2 1 +ATOM 5042 C CE1 . PHE B 1 293 ? 35.669 -15.966 56.891 1.00 76.33 ? 293 PHE B CE1 1 +ATOM 5043 C CE2 . PHE B 1 293 ? 37.174 -17.858 56.804 1.00 60.45 ? 293 PHE B CE2 1 +ATOM 5044 C CZ . PHE B 1 293 ? 36.563 -16.768 56.181 1.00 68.29 ? 293 PHE B CZ 1 +ATOM 5045 N N . ASP B 1 294 ? 34.869 -20.425 61.881 1.00 67.53 ? 294 ASP B N 1 +ATOM 5046 C CA . ASP B 1 294 ? 34.838 -21.238 63.083 1.00 61.30 ? 294 ASP B CA 1 +ATOM 5047 C C . ASP B 1 294 ? 35.949 -20.846 64.061 1.00 72.36 ? 294 ASP B C 1 +ATOM 5048 O O . ASP B 1 294 ? 36.430 -19.713 64.088 1.00 62.06 ? 294 ASP B O 1 +ATOM 5049 C CB . ASP B 1 294 ? 34.896 -22.753 62.778 1.00 68.04 ? 294 ASP B CB 1 +ATOM 5050 C CG . ASP B 1 294 ? 36.251 -23.328 62.368 1.00 77.86 ? 294 ASP B CG 1 +ATOM 5051 O OD1 . ASP B 1 294 ? 37.314 -22.749 62.576 1.00 73.64 ? 294 ASP B OD1 1 +ATOM 5052 O OD2 . ASP B 1 294 ? 36.179 -24.511 61.815 1.00 90.18 ? 294 ASP B OD2 1 +ATOM 5053 N N . ASP B 1 295 ? 36.340 -21.847 64.859 1.00 100.00 ? 295 ASP B N 1 +ATOM 5054 C CA . ASP B 1 295 ? 37.364 -21.757 65.884 1.00 100.00 ? 295 ASP B CA 1 +ATOM 5055 C C . ASP B 1 295 ? 38.773 -21.487 65.344 1.00 100.00 ? 295 ASP B C 1 +ATOM 5056 O O . ASP B 1 295 ? 39.466 -20.566 65.761 1.00 100.00 ? 295 ASP B O 1 +ATOM 5057 C CB . ASP B 1 295 ? 37.396 -23.019 66.790 1.00 100.00 ? 295 ASP B CB 1 +ATOM 5058 C CG . ASP B 1 295 ? 36.188 -23.193 67.746 1.00 100.00 ? 295 ASP B CG 1 +ATOM 5059 O OD1 . ASP B 1 295 ? 35.509 -22.270 68.150 1.00 100.00 ? 295 ASP B OD1 1 +ATOM 5060 O OD2 . ASP B 1 295 ? 36.047 -24.446 68.108 1.00 100.00 ? 295 ASP B OD2 1 +ATOM 5061 N N . GLU B 1 296 ? 39.183 -22.343 64.383 1.00 84.73 ? 296 GLU B N 1 +ATOM 5062 C CA . GLU B 1 296 ? 40.500 -22.288 63.771 1.00 72.16 ? 296 GLU B CA 1 +ATOM 5063 C C . GLU B 1 296 ? 40.588 -21.425 62.522 1.00 68.53 ? 296 GLU B C 1 +ATOM 5064 O O . GLU B 1 296 ? 41.460 -21.637 61.674 1.00 77.18 ? 296 GLU B O 1 +ATOM 5065 C CB . GLU B 1 296 ? 41.047 -23.717 63.550 1.00 71.40 ? 296 GLU B CB 1 +ATOM 5066 C CG . GLU B 1 296 ? 40.831 -24.599 64.799 1.00 100.00 ? 296 GLU B CG 1 +ATOM 5067 C CD . GLU B 1 296 ? 40.911 -26.082 64.580 1.00 100.00 ? 296 GLU B CD 1 +ATOM 5068 O OE1 . GLU B 1 296 ? 41.209 -26.621 63.497 1.00 100.00 ? 296 GLU B OE1 1 +ATOM 5069 O OE2 . GLU B 1 296 ? 40.592 -26.769 65.675 1.00 100.00 ? 296 GLU B OE2 1 +ATOM 5070 N N . GLY B 1 297 ? 39.682 -20.452 62.432 1.00 69.87 ? 297 GLY B N 1 +ATOM 5071 C CA . GLY B 1 297 ? 39.630 -19.531 61.297 1.00 78.07 ? 297 GLY B CA 1 +ATOM 5072 C C . GLY B 1 297 ? 39.137 -20.209 60.004 1.00 78.10 ? 297 GLY B C 1 +ATOM 5073 O O . GLY B 1 297 ? 39.445 -19.773 58.881 1.00 69.68 ? 297 GLY B O 1 +ATOM 5074 N N . ASN B 1 298 ? 38.386 -21.284 60.196 1.00 68.70 ? 298 ASN B N 1 +ATOM 5075 C CA . ASN B 1 298 ? 37.857 -22.057 59.100 1.00 60.51 ? 298 ASN B CA 1 +ATOM 5076 C C . ASN B 1 298 ? 36.438 -21.612 58.763 1.00 56.62 ? 298 ASN B C 1 +ATOM 5077 O O . ASN B 1 298 ? 35.641 -21.423 59.672 1.00 51.49 ? 298 ASN B O 1 +ATOM 5078 C CB . ASN B 1 298 ? 38.013 -23.572 59.376 1.00 60.81 ? 298 ASN B CB 1 +ATOM 5079 C CG . ASN B 1 298 ? 39.467 -24.042 59.307 1.00 100.00 ? 298 ASN B CG 1 +ATOM 5080 O OD1 . ASN B 1 298 ? 40.345 -23.368 58.713 1.00 100.00 ? 298 ASN B OD1 1 +ATOM 5081 N ND2 . ASN B 1 298 ? 39.725 -25.207 59.933 1.00 100.00 ? 298 ASN B ND2 1 +ATOM 5082 N N . LEU B 1 299 ? 36.157 -21.414 57.461 1.00 74.25 ? 299 LEU B N 1 +ATOM 5083 C CA . LEU B 1 299 ? 34.825 -21.002 57.008 1.00 74.93 ? 299 LEU B CA 1 +ATOM 5084 C C . LEU B 1 299 ? 33.819 -22.117 57.218 1.00 74.75 ? 299 LEU B C 1 +ATOM 5085 O O . LEU B 1 299 ? 34.118 -23.307 57.184 1.00 85.58 ? 299 LEU B O 1 +ATOM 5086 C CB . LEU B 1 299 ? 34.755 -20.461 55.559 1.00 74.26 ? 299 LEU B CB 1 +ATOM 5087 C CG . LEU B 1 299 ? 33.317 -20.307 55.045 1.00 73.84 ? 299 LEU B CG 1 +ATOM 5088 C CD1 . LEU B 1 299 ? 33.071 -18.869 54.612 1.00 79.05 ? 299 LEU B CD1 1 +ATOM 5089 C CD2 . LEU B 1 299 ? 33.042 -21.240 53.869 1.00 77.56 ? 299 LEU B CD2 1 +ATOM 5090 N N . THR B 1 300 ? 32.593 -21.724 57.474 1.00 73.87 ? 300 THR B N 1 +ATOM 5091 C CA . THR B 1 300 ? 31.584 -22.721 57.707 1.00 80.70 ? 300 THR B CA 1 +ATOM 5092 C C . THR B 1 300 ? 30.338 -22.462 56.884 1.00 80.34 ? 300 THR B C 1 +ATOM 5093 O O . THR B 1 300 ? 29.844 -23.284 56.109 1.00 80.85 ? 300 THR B O 1 +ATOM 5094 C CB . THR B 1 300 ? 31.324 -22.800 59.229 1.00 89.05 ? 300 THR B CB 1 +ATOM 5095 O OG1 . THR B 1 300 ? 30.999 -21.526 59.756 1.00 91.52 ? 300 THR B OG1 1 +ATOM 5096 C CG2 . THR B 1 300 ? 32.609 -23.277 59.901 1.00 70.10 ? 300 THR B CG2 1 +ATOM 5097 N N . HIS B 1 301 ? 29.862 -21.258 57.065 1.00 69.43 ? 301 HIS B N 1 +ATOM 5098 C CA . HIS B 1 301 ? 28.686 -20.802 56.383 1.00 76.69 ? 301 HIS B CA 1 +ATOM 5099 C C . HIS B 1 301 ? 29.050 -19.538 55.607 1.00 58.46 ? 301 HIS B C 1 +ATOM 5100 O O . HIS B 1 301 ? 29.956 -18.784 55.986 1.00 44.20 ? 301 HIS B O 1 +ATOM 5101 C CB . HIS B 1 301 ? 27.548 -20.668 57.443 1.00 87.52 ? 301 HIS B CB 1 +ATOM 5102 C CG . HIS B 1 301 ? 26.313 -19.838 57.059 1.00 100.00 ? 301 HIS B CG 1 +ATOM 5103 N ND1 . HIS B 1 301 ? 26.288 -18.507 57.454 1.00 100.00 ? 301 HIS B ND1 1 +ATOM 5104 C CD2 . HIS B 1 301 ? 25.151 -20.132 56.443 1.00 100.00 ? 301 HIS B CD2 1 +ATOM 5105 C CE1 . HIS B 1 301 ? 25.124 -18.021 56.999 1.00 100.00 ? 301 HIS B CE1 1 +ATOM 5106 N NE2 . HIS B 1 301 ? 24.411 -18.943 56.382 1.00 100.00 ? 301 HIS B NE2 1 +ATOM 5107 N N . ILE B 1 302 ? 28.358 -19.342 54.488 1.00 69.46 ? 302 ILE B N 1 +ATOM 5108 C CA . ILE B 1 302 ? 28.531 -18.192 53.596 1.00 71.90 ? 302 ILE B CA 1 +ATOM 5109 C C . ILE B 1 302 ? 27.213 -17.771 52.899 1.00 70.15 ? 302 ILE B C 1 +ATOM 5110 O O . ILE B 1 302 ? 26.570 -18.532 52.179 1.00 64.53 ? 302 ILE B O 1 +ATOM 5111 C CB . ILE B 1 302 ? 29.702 -18.323 52.589 1.00 75.97 ? 302 ILE B CB 1 +ATOM 5112 C CG1 . ILE B 1 302 ? 30.012 -16.978 51.933 1.00 74.11 ? 302 ILE B CG1 1 +ATOM 5113 C CG2 . ILE B 1 302 ? 29.411 -19.334 51.480 1.00 70.94 ? 302 ILE B CG2 1 +ATOM 5114 C CD1 . ILE B 1 302 ? 31.503 -16.713 51.737 1.00 51.66 ? 302 ILE B CD1 1 +ATOM 5115 N N . GLY B 1 303 ? 26.815 -16.519 53.123 1.00 70.15 ? 303 GLY B N 1 +ATOM 5116 C CA . GLY B 1 303 ? 25.602 -16.017 52.475 1.00 69.18 ? 303 GLY B CA 1 +ATOM 5117 C C . GLY B 1 303 ? 25.827 -14.667 51.768 1.00 67.54 ? 303 GLY B C 1 +ATOM 5118 O O . GLY B 1 303 ? 26.962 -14.158 51.705 1.00 49.73 ? 303 GLY B O 1 +ATOM 5119 N N . VAL B 1 304 ? 24.730 -14.073 51.251 1.00 69.74 ? 304 VAL B N 1 +ATOM 5120 C CA . VAL B 1 304 ? 24.799 -12.755 50.591 1.00 64.55 ? 304 VAL B CA 1 +ATOM 5121 C C . VAL B 1 304 ? 23.741 -11.749 51.048 1.00 56.74 ? 304 VAL B C 1 +ATOM 5122 O O . VAL B 1 304 ? 22.525 -11.984 51.029 1.00 43.16 ? 304 VAL B O 1 +ATOM 5123 C CB . VAL B 1 304 ? 24.981 -12.722 49.080 1.00 53.42 ? 304 VAL B CB 1 +ATOM 5124 C CG1 . VAL B 1 304 ? 23.823 -13.444 48.408 1.00 48.96 ? 304 VAL B CG1 1 +ATOM 5125 C CG2 . VAL B 1 304 ? 24.999 -11.280 48.573 1.00 47.83 ? 304 VAL B CG2 1 +ATOM 5126 N N . ALA B 1 305 ? 24.247 -10.591 51.457 1.00 40.00 ? 305 ALA B N 1 +ATOM 5127 C CA . ALA B 1 305 ? 23.412 -9.529 51.945 1.00 31.69 ? 305 ALA B CA 1 +ATOM 5128 C C . ALA B 1 305 ? 22.610 -8.844 50.860 1.00 34.42 ? 305 ALA B C 1 +ATOM 5129 O O . ALA B 1 305 ? 23.058 -8.739 49.726 1.00 29.14 ? 305 ALA B O 1 +ATOM 5130 C CB . ALA B 1 305 ? 24.238 -8.526 52.724 1.00 29.11 ? 305 ALA B CB 1 +ATOM 5131 N N . GLY B 1 306 ? 21.435 -8.371 51.255 1.00 22.79 ? 306 GLY B N 1 +ATOM 5132 C CA . GLY B 1 306 ? 20.515 -7.620 50.412 1.00 25.70 ? 306 GLY B CA 1 +ATOM 5133 C C . GLY B 1 306 ? 20.342 -6.256 51.102 1.00 32.85 ? 306 GLY B C 1 +ATOM 5134 O O . GLY B 1 306 ? 21.045 -5.987 52.067 1.00 41.78 ? 306 GLY B O 1 +ATOM 5135 N N . PHE B 1 307 ? 19.413 -5.418 50.638 1.00 27.95 ? 307 PHE B N 1 +ATOM 5136 C CA . PHE B 1 307 ? 19.167 -4.071 51.164 1.00 26.77 ? 307 PHE B CA 1 +ATOM 5137 C C . PHE B 1 307 ? 17.940 -3.830 52.049 1.00 38.78 ? 307 PHE B C 1 +ATOM 5138 O O . PHE B 1 307 ? 17.769 -2.730 52.632 1.00 21.93 ? 307 PHE B O 1 +ATOM 5139 C CB . PHE B 1 307 ? 19.184 -3.065 50.036 1.00 28.24 ? 307 PHE B CB 1 +ATOM 5140 C CG . PHE B 1 307 ? 20.393 -3.268 49.156 1.00 31.88 ? 307 PHE B CG 1 +ATOM 5141 C CD1 . PHE B 1 307 ? 20.368 -4.219 48.137 1.00 27.28 ? 307 PHE B CD1 1 +ATOM 5142 C CD2 . PHE B 1 307 ? 21.569 -2.530 49.311 1.00 39.61 ? 307 PHE B CD2 1 +ATOM 5143 C CE1 . PHE B 1 307 ? 21.468 -4.427 47.307 1.00 27.50 ? 307 PHE B CE1 1 +ATOM 5144 C CE2 . PHE B 1 307 ? 22.676 -2.713 48.476 1.00 25.41 ? 307 PHE B CE2 1 +ATOM 5145 C CZ . PHE B 1 307 ? 22.630 -3.684 47.478 1.00 24.83 ? 307 PHE B CZ 1 +ATOM 5146 N N . GLU B 1 308 ? 17.090 -4.841 52.172 1.00 32.18 ? 308 GLU B N 1 +ATOM 5147 C CA . GLU B 1 308 ? 15.873 -4.753 52.980 1.00 23.46 ? 308 GLU B CA 1 +ATOM 5148 C C . GLU B 1 308 ? 16.100 -4.418 54.420 1.00 21.29 ? 308 GLU B C 1 +ATOM 5149 O O . GLU B 1 308 ? 15.273 -3.788 55.065 1.00 37.20 ? 308 GLU B O 1 +ATOM 5150 C CB . GLU B 1 308 ? 15.070 -6.064 52.937 1.00 27.38 ? 308 GLU B CB 1 +ATOM 5151 C CG . GLU B 1 308 ? 15.819 -7.245 53.614 1.00 35.81 ? 308 GLU B CG 1 +ATOM 5152 C CD . GLU B 1 308 ? 16.859 -7.877 52.726 1.00 62.50 ? 308 GLU B CD 1 +ATOM 5153 O OE1 . GLU B 1 308 ? 17.067 -7.560 51.582 1.00 63.86 ? 308 GLU B OE1 1 +ATOM 5154 O OE2 . GLU B 1 308 ? 17.531 -8.824 53.299 1.00 51.73 ? 308 GLU B OE2 1 +ATOM 5155 N N . THR B 1 309 ? 17.209 -4.862 54.962 1.00 27.60 ? 309 THR B N 1 +ATOM 5156 C CA . THR B 1 309 ? 17.424 -4.556 56.349 1.00 24.15 ? 309 THR B CA 1 +ATOM 5157 C C . THR B 1 309 ? 17.482 -3.058 56.618 1.00 29.00 ? 309 THR B C 1 +ATOM 5158 O O . THR B 1 309 ? 17.428 -2.616 57.746 1.00 39.92 ? 309 THR B O 1 +ATOM 5159 C CB . THR B 1 309 ? 18.692 -5.228 56.839 1.00 26.15 ? 309 THR B CB 1 +ATOM 5160 O OG1 . THR B 1 309 ? 19.731 -4.885 55.953 1.00 35.10 ? 309 THR B OG1 1 +ATOM 5161 C CG2 . THR B 1 309 ? 18.467 -6.720 56.798 1.00 35.36 ? 309 THR B CG2 1 +ATOM 5162 N N . LEU B 1 310 ? 17.604 -2.256 55.600 1.00 24.14 ? 310 LEU B N 1 +ATOM 5163 C CA . LEU B 1 310 ? 17.709 -0.844 55.895 1.00 27.78 ? 310 LEU B CA 1 +ATOM 5164 C C . LEU B 1 310 ? 16.433 -0.325 56.483 1.00 31.95 ? 310 LEU B C 1 +ATOM 5165 O O . LEU B 1 310 ? 16.451 0.186 57.583 1.00 28.22 ? 310 LEU B O 1 +ATOM 5166 C CB . LEU B 1 310 ? 18.092 -0.006 54.668 1.00 23.11 ? 310 LEU B CB 1 +ATOM 5167 C CG . LEU B 1 310 ? 19.509 -0.290 54.171 1.00 25.53 ? 310 LEU B CG 1 +ATOM 5168 C CD1 . LEU B 1 310 ? 19.755 0.475 52.887 1.00 20.21 ? 310 LEU B CD1 1 +ATOM 5169 C CD2 . LEU B 1 310 ? 20.528 0.197 55.192 1.00 22.64 ? 310 LEU B CD2 1 +ATOM 5170 N N . LEU B 1 311 ? 15.369 -0.455 55.704 1.00 23.17 ? 311 LEU B N 1 +ATOM 5171 C CA . LEU B 1 311 ? 14.057 -0.026 56.078 1.00 22.38 ? 311 LEU B CA 1 +ATOM 5172 C C . LEU B 1 311 ? 13.617 -0.754 57.312 1.00 28.28 ? 311 LEU B C 1 +ATOM 5173 O O . LEU B 1 311 ? 13.071 -0.202 58.278 1.00 34.42 ? 311 LEU B O 1 +ATOM 5174 C CB . LEU B 1 311 ? 13.063 -0.398 54.981 1.00 28.47 ? 311 LEU B CB 1 +ATOM 5175 C CG . LEU B 1 311 ? 11.709 0.270 55.183 1.00 26.64 ? 311 LEU B CG 1 +ATOM 5176 C CD1 . LEU B 1 311 ? 11.910 1.770 55.451 1.00 18.06 ? 311 LEU B CD1 1 +ATOM 5177 C CD2 . LEU B 1 311 ? 10.767 0.016 54.001 1.00 22.41 ? 311 LEU B CD2 1 +ATOM 5178 N N . GLU B 1 312 ? 13.847 -2.030 57.274 1.00 28.80 ? 312 GLU B N 1 +ATOM 5179 C CA . GLU B 1 312 ? 13.428 -2.773 58.440 1.00 32.21 ? 312 GLU B CA 1 +ATOM 5180 C C . GLU B 1 312 ? 13.937 -2.157 59.733 1.00 31.96 ? 312 GLU B C 1 +ATOM 5181 O O . GLU B 1 312 ? 13.302 -2.234 60.794 1.00 37.93 ? 312 GLU B O 1 +ATOM 5182 C CB . GLU B 1 312 ? 13.942 -4.229 58.382 1.00 28.18 ? 312 GLU B CB 1 +ATOM 5183 C CG . GLU B 1 312 ? 13.067 -5.206 57.584 1.00 41.25 ? 312 GLU B CG 1 +ATOM 5184 C CD . GLU B 1 312 ? 13.702 -6.568 57.478 1.00 100.00 ? 312 GLU B CD 1 +ATOM 5185 O OE1 . GLU B 1 312 ? 14.588 -6.929 58.272 1.00 63.26 ? 312 GLU B OE1 1 +ATOM 5186 O OE2 . GLU B 1 312 ? 13.229 -7.313 56.491 1.00 100.00 ? 312 GLU B OE2 1 +ATOM 5187 N N . THR B 1 313 ? 15.123 -1.576 59.651 1.00 23.09 ? 313 THR B N 1 +ATOM 5188 C CA . THR B 1 313 ? 15.722 -1.040 60.849 1.00 20.29 ? 313 THR B CA 1 +ATOM 5189 C C . THR B 1 313 ? 15.005 0.162 61.345 1.00 31.35 ? 313 THR B C 1 +ATOM 5190 O O . THR B 1 313 ? 14.759 0.326 62.544 1.00 31.85 ? 313 THR B O 1 +ATOM 5191 C CB . THR B 1 313 ? 17.213 -0.847 60.696 1.00 32.80 ? 313 THR B CB 1 +ATOM 5192 O OG1 . THR B 1 313 ? 17.708 -2.136 60.418 1.00 39.98 ? 313 THR B OG1 1 +ATOM 5193 C CG2 . THR B 1 313 ? 17.788 -0.395 62.034 1.00 27.96 ? 313 THR B CG2 1 +ATOM 5194 N N . VAL B 1 314 ? 14.636 0.961 60.376 1.00 29.17 ? 314 VAL B N 1 +ATOM 5195 C CA . VAL B 1 314 ? 13.896 2.153 60.678 1.00 30.80 ? 314 VAL B CA 1 +ATOM 5196 C C . VAL B 1 314 ? 12.554 1.776 61.313 1.00 36.05 ? 314 VAL B C 1 +ATOM 5197 O O . VAL B 1 314 ? 12.187 2.313 62.340 1.00 32.10 ? 314 VAL B O 1 +ATOM 5198 C CB . VAL B 1 314 ? 13.700 2.892 59.367 1.00 36.82 ? 314 VAL B CB 1 +ATOM 5199 C CG1 . VAL B 1 314 ? 12.590 3.927 59.452 1.00 42.39 ? 314 VAL B CG1 1 +ATOM 5200 C CG2 . VAL B 1 314 ? 14.990 3.565 58.985 1.00 32.37 ? 314 VAL B CG2 1 +ATOM 5201 N N . GLN B 1 315 ? 11.833 0.848 60.676 1.00 32.10 ? 315 GLN B N 1 +ATOM 5202 C CA . GLN B 1 315 ? 10.545 0.410 61.170 1.00 29.32 ? 315 GLN B CA 1 +ATOM 5203 C C . GLN B 1 315 ? 10.614 -0.028 62.617 1.00 37.41 ? 315 GLN B C 1 +ATOM 5204 O O . GLN B 1 315 ? 9.811 0.362 63.460 1.00 42.52 ? 315 GLN B O 1 +ATOM 5205 C CB . GLN B 1 315 ? 10.020 -0.739 60.320 1.00 35.15 ? 315 GLN B CB 1 +ATOM 5206 C CG . GLN B 1 315 ? 9.625 -0.293 58.889 1.00 20.98 ? 315 GLN B CG 1 +ATOM 5207 C CD . GLN B 1 315 ? 9.405 -1.512 58.035 1.00 34.22 ? 315 GLN B CD 1 +ATOM 5208 O OE1 . GLN B 1 315 ? 9.722 -2.609 58.518 1.00 24.96 ? 315 GLN B OE1 1 +ATOM 5209 N NE2 . GLN B 1 315 ? 8.864 -1.337 56.814 1.00 20.64 ? 315 GLN B NE2 1 +ATOM 5210 N N . VAL B 1 316 ? 11.609 -0.835 62.905 1.00 30.04 ? 316 VAL B N 1 +ATOM 5211 C CA . VAL B 1 316 ? 11.842 -1.369 64.238 1.00 30.86 ? 316 VAL B CA 1 +ATOM 5212 C C . VAL B 1 316 ? 11.995 -0.293 65.287 1.00 34.25 ? 316 VAL B C 1 +ATOM 5213 O O . VAL B 1 316 ? 11.356 -0.242 66.330 1.00 43.17 ? 316 VAL B O 1 +ATOM 5214 C CB . VAL B 1 316 ? 13.098 -2.234 64.221 1.00 26.80 ? 316 VAL B CB 1 +ATOM 5215 C CG1 . VAL B 1 316 ? 13.542 -2.589 65.620 1.00 31.48 ? 316 VAL B CG1 1 +ATOM 5216 C CG2 . VAL B 1 316 ? 12.781 -3.510 63.465 1.00 25.42 ? 316 VAL B CG2 1 +ATOM 5217 N N . LEU B 1 317 ? 12.909 0.569 64.977 1.00 41.13 ? 317 LEU B N 1 +ATOM 5218 C CA . LEU B 1 317 ? 13.226 1.687 65.834 1.00 42.28 ? 317 LEU B CA 1 +ATOM 5219 C C . LEU B 1 317 ? 11.964 2.401 66.305 1.00 42.07 ? 317 LEU B C 1 +ATOM 5220 O O . LEU B 1 317 ? 11.808 2.714 67.501 1.00 37.65 ? 317 LEU B O 1 +ATOM 5221 C CB . LEU B 1 317 ? 14.087 2.696 65.049 1.00 32.43 ? 317 LEU B CB 1 +ATOM 5222 C CG . LEU B 1 317 ? 15.562 2.357 65.066 1.00 37.53 ? 317 LEU B CG 1 +ATOM 5223 C CD1 . LEU B 1 317 ? 16.242 3.266 64.070 1.00 27.45 ? 317 LEU B CD1 1 +ATOM 5224 C CD2 . LEU B 1 317 ? 16.166 2.550 66.463 1.00 33.74 ? 317 LEU B CD2 1 +ATOM 5225 N N . VAL B 1 318 ? 11.113 2.708 65.326 1.00 26.21 ? 318 VAL B N 1 +ATOM 5226 C CA . VAL B 1 318 ? 9.879 3.386 65.587 1.00 32.66 ? 318 VAL B CA 1 +ATOM 5227 C C . VAL B 1 318 ? 8.999 2.452 66.340 1.00 38.38 ? 318 VAL B C 1 +ATOM 5228 O O . VAL B 1 318 ? 8.713 2.646 67.526 1.00 45.15 ? 318 VAL B O 1 +ATOM 5229 C CB . VAL B 1 318 ? 9.246 3.860 64.304 1.00 44.58 ? 318 VAL B CB 1 +ATOM 5230 C CG1 . VAL B 1 318 ? 7.827 4.345 64.557 1.00 45.94 ? 318 VAL B CG1 1 +ATOM 5231 C CG2 . VAL B 1 318 ? 10.112 5.017 63.825 1.00 47.10 ? 318 VAL B CG2 1 +ATOM 5232 N N . LYS B 1 319 ? 8.651 1.414 65.628 1.00 49.96 ? 319 LYS B N 1 +ATOM 5233 C CA . LYS B 1 319 ? 7.801 0.399 66.179 1.00 53.69 ? 319 LYS B CA 1 +ATOM 5234 C C . LYS B 1 319 ? 8.172 -0.030 67.590 1.00 51.02 ? 319 LYS B C 1 +ATOM 5235 O O . LYS B 1 319 ? 7.465 0.288 68.532 1.00 64.23 ? 319 LYS B O 1 +ATOM 5236 C CB . LYS B 1 319 ? 7.520 -0.741 65.213 1.00 62.45 ? 319 LYS B CB 1 +ATOM 5237 C CG . LYS B 1 319 ? 7.367 -2.115 65.829 1.00 53.24 ? 319 LYS B CG 1 +ATOM 5238 C CD . LYS B 1 319 ? 7.180 -3.194 64.769 1.00 100.00 ? 319 LYS B CD 1 +ATOM 5239 C CE . LYS B 1 319 ? 7.604 -4.605 65.216 1.00 100.00 ? 319 LYS B CE 1 +ATOM 5240 N NZ . LYS B 1 319 ? 8.287 -5.393 64.161 1.00 100.00 ? 319 LYS B NZ 1 +ATOM 5241 N N . ASP B 1 320 ? 9.292 -0.726 67.766 1.00 49.92 ? 320 ASP B N 1 +ATOM 5242 C CA . ASP B 1 320 ? 9.668 -1.252 69.077 1.00 35.76 ? 320 ASP B CA 1 +ATOM 5243 C C . ASP B 1 320 ? 10.608 -0.427 69.920 1.00 35.51 ? 320 ASP B C 1 +ATOM 5244 O O . ASP B 1 320 ? 11.020 -0.868 71.008 1.00 30.42 ? 320 ASP B O 1 +ATOM 5245 C CB . ASP B 1 320 ? 10.301 -2.668 68.971 1.00 42.58 ? 320 ASP B CB 1 +ATOM 5246 C CG . ASP B 1 320 ? 9.647 -3.662 68.025 1.00 78.41 ? 320 ASP B CG 1 +ATOM 5247 O OD1 . ASP B 1 320 ? 8.443 -3.745 67.837 1.00 100.00 ? 320 ASP B OD1 1 +ATOM 5248 O OD2 . ASP B 1 320 ? 10.525 -4.457 67.456 1.00 72.27 ? 320 ASP B OD2 1 +ATOM 5249 N N . TYR B 1 321 ? 10.998 0.755 69.479 1.00 28.24 ? 321 TYR B N 1 +ATOM 5250 C CA . TYR B 1 321 ? 11.978 1.459 70.315 1.00 22.95 ? 321 TYR B CA 1 +ATOM 5251 C C . TYR B 1 321 ? 11.711 2.868 70.760 1.00 38.91 ? 321 TYR B C 1 +ATOM 5252 O O . TYR B 1 321 ? 12.625 3.527 71.294 1.00 32.57 ? 321 TYR B O 1 +ATOM 5253 C CB . TYR B 1 321 ? 13.338 1.465 69.624 1.00 34.30 ? 321 TYR B CB 1 +ATOM 5254 C CG . TYR B 1 321 ? 14.098 0.154 69.787 1.00 46.30 ? 321 TYR B CG 1 +ATOM 5255 C CD1 . TYR B 1 321 ? 13.898 -0.953 68.951 1.00 42.35 ? 321 TYR B CD1 1 +ATOM 5256 C CD2 . TYR B 1 321 ? 15.033 0.040 70.821 1.00 38.40 ? 321 TYR B CD2 1 +ATOM 5257 C CE1 . TYR B 1 321 ? 14.610 -2.142 69.139 1.00 37.89 ? 321 TYR B CE1 1 +ATOM 5258 C CE2 . TYR B 1 321 ? 15.751 -1.141 71.021 1.00 35.78 ? 321 TYR B CE2 1 +ATOM 5259 C CZ . TYR B 1 321 ? 15.549 -2.235 70.172 1.00 60.55 ? 321 TYR B CZ 1 +ATOM 5260 O OH . TYR B 1 321 ? 16.260 -3.398 70.348 1.00 89.80 ? 321 TYR B OH 1 +ATOM 5261 N N . ASP B 1 322 ? 10.484 3.327 70.564 1.00 47.18 ? 322 ASP B N 1 +ATOM 5262 C CA . ASP B 1 322 ? 10.148 4.669 70.992 1.00 55.28 ? 322 ASP B CA 1 +ATOM 5263 C C . ASP B 1 322 ? 10.913 5.728 70.194 1.00 63.34 ? 322 ASP B C 1 +ATOM 5264 O O . ASP B 1 322 ? 11.170 6.847 70.633 1.00 67.41 ? 322 ASP B O 1 +ATOM 5265 C CB . ASP B 1 322 ? 10.388 4.889 72.510 1.00 62.85 ? 322 ASP B CB 1 +ATOM 5266 C CG . ASP B 1 322 ? 9.888 6.233 73.029 1.00 94.47 ? 322 ASP B CG 1 +ATOM 5267 O OD1 . ASP B 1 322 ? 10.610 7.095 73.598 1.00 71.12 ? 322 ASP B OD1 1 +ATOM 5268 O OD2 . ASP B 1 322 ? 8.611 6.424 72.758 1.00 87.74 ? 322 ASP B OD2 1 +ATOM 5269 N N . PHE B 1 323 ? 11.303 5.416 68.991 1.00 45.69 ? 323 PHE B N 1 +ATOM 5270 C CA . PHE B 1 323 ? 11.999 6.480 68.281 1.00 32.81 ? 323 PHE B CA 1 +ATOM 5271 C C . PHE B 1 323 ? 10.998 7.269 67.459 1.00 34.67 ? 323 PHE B C 1 +ATOM 5272 O O . PHE B 1 323 ? 9.983 6.744 67.037 1.00 30.29 ? 323 PHE B O 1 +ATOM 5273 C CB . PHE B 1 323 ? 13.044 5.905 67.298 1.00 34.37 ? 323 PHE B CB 1 +ATOM 5274 C CG . PHE B 1 323 ? 14.438 5.821 67.863 1.00 29.85 ? 323 PHE B CG 1 +ATOM 5275 C CD1 . PHE B 1 323 ? 14.757 4.949 68.910 1.00 43.54 ? 323 PHE B CD1 1 +ATOM 5276 C CD2 . PHE B 1 323 ? 15.446 6.625 67.334 1.00 36.88 ? 323 PHE B CD2 1 +ATOM 5277 C CE1 . PHE B 1 323 ? 16.039 4.853 69.455 1.00 39.78 ? 323 PHE B CE1 1 +ATOM 5278 C CE2 . PHE B 1 323 ? 16.729 6.559 67.882 1.00 46.95 ? 323 PHE B CE2 1 +ATOM 5279 C CZ . PHE B 1 323 ? 17.027 5.681 68.929 1.00 35.60 ? 323 PHE B CZ 1 +ATOM 5280 N N . SER B 1 324 ? 11.299 8.530 67.215 1.00 36.20 ? 324 SER B N 1 +ATOM 5281 C CA . SER B 1 324 ? 10.454 9.339 66.360 1.00 36.38 ? 324 SER B CA 1 +ATOM 5282 C C . SER B 1 324 ? 10.870 9.021 64.925 1.00 37.34 ? 324 SER B C 1 +ATOM 5283 O O . SER B 1 324 ? 12.036 8.721 64.636 1.00 26.94 ? 324 SER B O 1 +ATOM 5284 C CB . SER B 1 324 ? 10.692 10.825 66.565 1.00 25.10 ? 324 SER B CB 1 +ATOM 5285 O OG . SER B 1 324 ? 11.893 11.214 65.926 1.00 56.29 ? 324 SER B OG 1 +ATOM 5286 N N . ILE B 1 325 ? 9.938 9.108 64.013 1.00 29.29 ? 325 ILE B N 1 +ATOM 5287 C CA . ILE B 1 325 ? 10.285 8.837 62.654 1.00 24.47 ? 325 ILE B CA 1 +ATOM 5288 C C . ILE B 1 325 ? 11.434 9.709 62.242 1.00 36.21 ? 325 ILE B C 1 +ATOM 5289 O O . ILE B 1 325 ? 12.364 9.306 61.541 1.00 22.77 ? 325 ILE B O 1 +ATOM 5290 C CB . ILE B 1 325 ? 9.127 9.138 61.750 1.00 22.56 ? 325 ILE B CB 1 +ATOM 5291 C CG1 . ILE B 1 325 ? 7.973 8.239 62.118 1.00 32.02 ? 325 ILE B CG1 1 +ATOM 5292 C CG2 . ILE B 1 325 ? 9.525 8.852 60.309 1.00 21.43 ? 325 ILE B CG2 1 +ATOM 5293 C CD1 . ILE B 1 325 ? 6.952 8.103 60.988 1.00 44.94 ? 325 ILE B CD1 1 +ATOM 5294 N N . SER B 1 326 ? 11.330 10.941 62.662 1.00 29.86 ? 326 SER B N 1 +ATOM 5295 C CA . SER B 1 326 ? 12.406 11.857 62.319 1.00 24.48 ? 326 SER B CA 1 +ATOM 5296 C C . SER B 1 326 ? 13.737 11.247 62.720 1.00 33.67 ? 326 SER B C 1 +ATOM 5297 O O . SER B 1 326 ? 14.662 11.069 61.927 1.00 34.66 ? 326 SER B O 1 +ATOM 5298 C CB . SER B 1 326 ? 12.216 13.176 63.077 1.00 26.34 ? 326 SER B CB 1 +ATOM 5299 O OG . SER B 1 326 ? 11.660 14.195 62.257 1.00 56.83 ? 326 SER B OG 1 +ATOM 5300 N N . ASP B 1 327 ? 13.808 10.932 64.007 1.00 33.18 ? 327 ASP B N 1 +ATOM 5301 C CA . ASP B 1 327 ? 15.007 10.378 64.570 1.00 34.17 ? 327 ASP B CA 1 +ATOM 5302 C C . ASP B 1 327 ? 15.440 9.087 63.910 1.00 39.82 ? 327 ASP B C 1 +ATOM 5303 O O . ASP B 1 327 ? 16.606 8.853 63.659 1.00 31.38 ? 327 ASP B O 1 +ATOM 5304 C CB . ASP B 1 327 ? 14.833 10.223 66.081 1.00 34.77 ? 327 ASP B CB 1 +ATOM 5305 C CG . ASP B 1 327 ? 15.101 11.551 66.719 1.00 38.54 ? 327 ASP B CG 1 +ATOM 5306 O OD1 . ASP B 1 327 ? 15.504 12.509 66.050 1.00 30.51 ? 327 ASP B OD1 1 +ATOM 5307 O OD2 . ASP B 1 327 ? 14.835 11.578 68.008 1.00 52.01 ? 327 ASP B OD2 1 +ATOM 5308 N N . ALA B 1 328 ? 14.481 8.253 63.621 1.00 28.82 ? 328 ALA B N 1 +ATOM 5309 C CA . ALA B 1 328 ? 14.772 7.003 63.045 1.00 32.62 ? 328 ALA B CA 1 +ATOM 5310 C C . ALA B 1 328 ? 15.431 7.117 61.678 1.00 33.50 ? 328 ALA B C 1 +ATOM 5311 O O . ALA B 1 328 ? 16.247 6.254 61.324 1.00 30.71 ? 328 ALA B O 1 +ATOM 5312 C CB . ALA B 1 328 ? 13.528 6.133 63.045 1.00 38.45 ? 328 ALA B CB 1 +ATOM 5313 N N . LEU B 1 329 ? 15.131 8.183 60.942 1.00 28.41 ? 329 LEU B N 1 +ATOM 5314 C CA . LEU B 1 329 ? 15.699 8.342 59.595 1.00 27.97 ? 329 LEU B CA 1 +ATOM 5315 C C . LEU B 1 329 ? 17.103 8.913 59.470 1.00 31.02 ? 329 LEU B C 1 +ATOM 5316 O O . LEU B 1 329 ? 17.843 8.659 58.505 1.00 29.48 ? 329 LEU B O 1 +ATOM 5317 C CB . LEU B 1 329 ? 14.820 9.300 58.792 1.00 24.92 ? 329 LEU B CB 1 +ATOM 5318 C CG . LEU B 1 329 ? 13.440 8.806 58.486 1.00 26.07 ? 329 LEU B CG 1 +ATOM 5319 C CD1 . LEU B 1 329 ? 12.719 10.046 58.006 1.00 25.52 ? 329 LEU B CD1 1 +ATOM 5320 C CD2 . LEU B 1 329 ? 13.510 7.853 57.305 1.00 30.31 ? 329 LEU B CD2 1 +ATOM 5321 N N . ARG B 1 330 ? 17.442 9.756 60.422 1.00 23.54 ? 330 ARG B N 1 +ATOM 5322 C CA . ARG B 1 330 ? 18.730 10.409 60.426 1.00 31.40 ? 330 ARG B CA 1 +ATOM 5323 C C . ARG B 1 330 ? 19.957 9.554 60.036 1.00 31.91 ? 330 ARG B C 1 +ATOM 5324 O O . ARG B 1 330 ? 20.826 9.987 59.255 1.00 23.71 ? 330 ARG B O 1 +ATOM 5325 C CB . ARG B 1 330 ? 18.937 11.136 61.752 1.00 19.48 ? 330 ARG B CB 1 +ATOM 5326 C CG . ARG B 1 330 ? 17.776 12.031 62.109 1.00 45.69 ? 330 ARG B CG 1 +ATOM 5327 C CD . ARG B 1 330 ? 18.157 13.101 63.134 1.00 25.58 ? 330 ARG B CD 1 +ATOM 5328 N NE . ARG B 1 330 ? 17.979 14.437 62.586 1.00 62.39 ? 330 ARG B NE 1 +ATOM 5329 C CZ . ARG B 1 330 ? 16.904 15.183 62.817 1.00 99.17 ? 330 ARG B CZ 1 +ATOM 5330 N NH1 . ARG B 1 330 ? 15.885 14.748 63.589 1.00 70.21 ? 330 ARG B NH1 1 +ATOM 5331 N NH2 . ARG B 1 330 ? 16.856 16.389 62.228 1.00 100.00 ? 330 ARG B NH2 1 +ATOM 5332 N N . PRO B 1 331 ? 20.056 8.368 60.641 1.00 23.92 ? 331 PRO B N 1 +ATOM 5333 C CA . PRO B 1 331 ? 21.198 7.504 60.400 1.00 17.75 ? 331 PRO B CA 1 +ATOM 5334 C C . PRO B 1 331 ? 21.363 7.022 58.981 1.00 17.42 ? 331 PRO B C 1 +ATOM 5335 O O . PRO B 1 331 ? 22.451 6.565 58.626 1.00 32.65 ? 331 PRO B O 1 +ATOM 5336 C CB . PRO B 1 331 ? 21.085 6.329 61.352 1.00 23.24 ? 331 PRO B CB 1 +ATOM 5337 C CG . PRO B 1 331 ? 19.987 6.709 62.347 1.00 24.36 ? 331 PRO B CG 1 +ATOM 5338 C CD . PRO B 1 331 ? 19.142 7.750 61.639 1.00 21.36 ? 331 PRO B CD 1 +ATOM 5339 N N . LEU B 1 332 ? 20.301 7.161 58.183 1.00 17.83 ? 332 LEU B N 1 +ATOM 5340 C CA . LEU B 1 332 ? 20.291 6.782 56.763 1.00 19.13 ? 332 LEU B CA 1 +ATOM 5341 C C . LEU B 1 332 ? 20.162 7.996 55.884 1.00 18.07 ? 332 LEU B C 1 +ATOM 5342 O O . LEU B 1 332 ? 20.052 7.868 54.674 1.00 13.01 ? 332 LEU B O 1 +ATOM 5343 C CB . LEU B 1 332 ? 19.080 5.889 56.422 1.00 19.92 ? 332 LEU B CB 1 +ATOM 5344 C CG . LEU B 1 332 ? 19.245 4.488 56.952 1.00 24.39 ? 332 LEU B CG 1 +ATOM 5345 C CD1 . LEU B 1 332 ? 18.088 3.628 56.470 1.00 15.62 ? 332 LEU B CD1 1 +ATOM 5346 C CD2 . LEU B 1 332 ? 20.578 3.954 56.416 1.00 39.21 ? 332 LEU B CD2 1 +ATOM 5347 N N . THR B 1 333 ? 20.068 9.166 56.494 1.00 29.43 ? 333 THR B N 1 +ATOM 5348 C CA . THR B 1 333 ? 19.880 10.336 55.686 1.00 22.97 ? 333 THR B CA 1 +ATOM 5349 C C . THR B 1 333 ? 20.915 11.444 55.974 1.00 30.52 ? 333 THR B C 1 +ATOM 5350 O O . THR B 1 333 ? 22.033 11.432 55.449 1.00 20.03 ? 333 THR B O 1 +ATOM 5351 C CB . THR B 1 333 ? 18.404 10.795 55.681 1.00 18.36 ? 333 THR B CB 1 +ATOM 5352 O OG1 . THR B 1 333 ? 17.876 10.831 56.986 1.00 24.45 ? 333 THR B OG1 1 +ATOM 5353 C CG2 . THR B 1 333 ? 17.545 9.884 54.820 1.00 17.63 ? 333 THR B CG2 1 +ATOM 5354 N N . SER B 1 334 ? 20.544 12.407 56.828 1.00 32.30 ? 334 SER B N 1 +ATOM 5355 C CA . SER B 1 334 ? 21.413 13.523 57.177 1.00 23.70 ? 334 SER B CA 1 +ATOM 5356 C C . SER B 1 334 ? 22.677 13.104 57.906 1.00 20.51 ? 334 SER B C 1 +ATOM 5357 O O . SER B 1 334 ? 23.737 13.699 57.738 1.00 24.59 ? 334 SER B O 1 +ATOM 5358 C CB . SER B 1 334 ? 20.637 14.566 57.964 1.00 33.93 ? 334 SER B CB 1 +ATOM 5359 O OG . SER B 1 334 ? 19.913 13.879 58.961 1.00 19.58 ? 334 SER B OG 1 +ATOM 5360 N N . SER B 1 335 ? 22.618 12.070 58.736 1.00 16.00 ? 335 SER B N 1 +ATOM 5361 C CA . SER B 1 335 ? 23.889 11.749 59.379 1.00 15.33 ? 335 SER B CA 1 +ATOM 5362 C C . SER B 1 335 ? 24.953 11.362 58.347 1.00 24.78 ? 335 SER B C 1 +ATOM 5363 O O . SER B 1 335 ? 26.116 11.707 58.437 1.00 20.66 ? 335 SER B O 1 +ATOM 5364 C CB . SER B 1 335 ? 23.756 10.667 60.457 1.00 10.90 ? 335 SER B CB 1 +ATOM 5365 O OG . SER B 1 335 ? 22.759 11.083 61.397 1.00 16.29 ? 335 SER B OG 1 +ATOM 5366 N N . VAL B 1 336 ? 24.534 10.647 57.332 1.00 16.53 ? 336 VAL B N 1 +ATOM 5367 C CA . VAL B 1 336 ? 25.453 10.181 56.315 1.00 14.54 ? 336 VAL B CA 1 +ATOM 5368 C C . VAL B 1 336 ? 25.922 11.317 55.434 1.00 18.93 ? 336 VAL B C 1 +ATOM 5369 O O . VAL B 1 336 ? 27.112 11.492 55.217 1.00 18.33 ? 336 VAL B O 1 +ATOM 5370 C CB . VAL B 1 336 ? 24.795 9.041 55.490 1.00 22.42 ? 336 VAL B CB 1 +ATOM 5371 C CG1 . VAL B 1 336 ? 25.785 8.191 54.730 1.00 20.35 ? 336 VAL B CG1 1 +ATOM 5372 C CG2 . VAL B 1 336 ? 23.983 8.098 56.359 1.00 25.45 ? 336 VAL B CG2 1 +ATOM 5373 N N . ALA B 1 337 ? 24.959 12.057 54.898 1.00 14.57 ? 337 ALA B N 1 +ATOM 5374 C CA . ALA B 1 337 ? 25.295 13.158 54.047 1.00 18.33 ? 337 ALA B CA 1 +ATOM 5375 C C . ALA B 1 337 ? 26.176 14.111 54.810 1.00 21.71 ? 337 ALA B C 1 +ATOM 5376 O O . ALA B 1 337 ? 27.058 14.768 54.247 1.00 23.95 ? 337 ALA B O 1 +ATOM 5377 C CB . ALA B 1 337 ? 24.050 13.837 53.462 1.00 14.59 ? 337 ALA B CB 1 +ATOM 5378 N N . GLY B 1 338 ? 25.905 14.173 56.097 1.00 18.48 ? 338 GLY B N 1 +ATOM 5379 C CA . GLY B 1 338 ? 26.689 15.056 56.945 1.00 14.81 ? 338 GLY B CA 1 +ATOM 5380 C C . GLY B 1 338 ? 28.122 14.549 57.122 1.00 24.20 ? 338 GLY B C 1 +ATOM 5381 O O . GLY B 1 338 ? 29.080 15.307 57.010 1.00 38.79 ? 338 GLY B O 1 +ATOM 5382 N N . PHE B 1 339 ? 28.296 13.260 57.386 1.00 25.52 ? 339 PHE B N 1 +ATOM 5383 C CA . PHE B 1 339 ? 29.633 12.733 57.534 1.00 24.47 ? 339 PHE B CA 1 +ATOM 5384 C C . PHE B 1 339 ? 30.443 12.827 56.241 1.00 15.93 ? 339 PHE B C 1 +ATOM 5385 O O . PHE B 1 339 ? 31.598 13.186 56.248 1.00 27.03 ? 339 PHE B O 1 +ATOM 5386 C CB . PHE B 1 339 ? 29.575 11.272 58.074 1.00 25.91 ? 339 PHE B CB 1 +ATOM 5387 C CG . PHE B 1 339 ? 30.914 10.597 58.195 1.00 31.94 ? 339 PHE B CG 1 +ATOM 5388 C CD1 . PHE B 1 339 ? 31.810 10.965 59.204 1.00 19.83 ? 339 PHE B CD1 1 +ATOM 5389 C CD2 . PHE B 1 339 ? 31.257 9.570 57.307 1.00 30.83 ? 339 PHE B CD2 1 +ATOM 5390 C CE1 . PHE B 1 339 ? 33.045 10.326 59.307 1.00 18.72 ? 339 PHE B CE1 1 +ATOM 5391 C CE2 . PHE B 1 339 ? 32.495 8.937 57.397 1.00 27.44 ? 339 PHE B CE2 1 +ATOM 5392 C CZ . PHE B 1 339 ? 33.377 9.320 58.403 1.00 14.42 ? 339 PHE B CZ 1 +ATOM 5393 N N . LEU B 1 340 ? 29.845 12.466 55.114 1.00 22.94 ? 340 LEU B N 1 +ATOM 5394 C CA . LEU B 1 340 ? 30.528 12.429 53.833 1.00 20.67 ? 340 LEU B CA 1 +ATOM 5395 C C . LEU B 1 340 ? 30.436 13.719 53.111 1.00 29.35 ? 340 LEU B C 1 +ATOM 5396 O O . LEU B 1 340 ? 30.920 13.816 52.003 1.00 15.54 ? 340 LEU B O 1 +ATOM 5397 C CB . LEU B 1 340 ? 29.863 11.415 52.927 1.00 23.62 ? 340 LEU B CB 1 +ATOM 5398 C CG . LEU B 1 340 ? 30.049 10.058 53.524 1.00 24.58 ? 340 LEU B CG 1 +ATOM 5399 C CD1 . LEU B 1 340 ? 29.286 9.069 52.670 1.00 20.20 ? 340 LEU B CD1 1 +ATOM 5400 C CD2 . LEU B 1 340 ? 31.537 9.795 53.508 1.00 22.79 ? 340 LEU B CD2 1 +ATOM 5401 N N . ASN B 1 341 ? 29.786 14.678 53.742 1.00 23.13 ? 341 ASN B N 1 +ATOM 5402 C CA . ASN B 1 341 ? 29.611 15.952 53.137 1.00 20.04 ? 341 ASN B CA 1 +ATOM 5403 C C . ASN B 1 341 ? 28.903 15.813 51.804 1.00 24.76 ? 341 ASN B C 1 +ATOM 5404 O O . ASN B 1 341 ? 29.286 16.459 50.827 1.00 25.19 ? 341 ASN B O 1 +ATOM 5405 C CB A ASN B 1 341 ? 30.909 16.770 53.022 0.50 24.87 ? 341 ASN B CB 1 +ATOM 5406 C CB B ASN B 1 341 ? 30.944 16.703 52.931 0.50 26.59 ? 341 ASN B CB 1 +ATOM 5407 C CG A ASN B 1 341 ? 30.661 18.237 52.730 0.50 24.74 ? 341 ASN B CG 1 +ATOM 5408 C CG B ASN B 1 341 ? 31.893 16.721 54.120 0.50 44.32 ? 341 ASN B CG 1 +ATOM 5409 O OD1 A ASN B 1 341 ? 29.750 18.857 53.310 0.50 40.90 ? 341 ASN B OD1 1 +ATOM 5410 O OD1 B ASN B 1 341 ? 31.490 16.989 55.257 0.50 42.34 ? 341 ASN B OD1 1 +ATOM 5411 N ND2 A ASN B 1 341 ? 31.445 18.796 51.801 0.50 60.11 ? 341 ASN B ND2 1 +ATOM 5412 N ND2 B ASN B 1 341 ? 33.179 16.482 53.852 0.50 36.28 ? 341 ASN B ND2 1 +ATOM 5413 N N . LEU B 1 342 ? 27.868 14.969 51.723 1.00 22.15 ? 342 LEU B N 1 +ATOM 5414 C CA . LEU B 1 342 ? 27.208 14.880 50.406 1.00 17.16 ? 342 LEU B CA 1 +ATOM 5415 C C . LEU B 1 342 ? 26.277 16.044 50.180 1.00 25.29 ? 342 LEU B C 1 +ATOM 5416 O O . LEU B 1 342 ? 25.127 16.093 50.597 1.00 30.99 ? 342 LEU B O 1 +ATOM 5417 C CB . LEU B 1 342 ? 26.498 13.577 50.117 1.00 19.00 ? 342 LEU B CB 1 +ATOM 5418 C CG . LEU B 1 342 ? 27.407 12.417 50.354 1.00 27.69 ? 342 LEU B CG 1 +ATOM 5419 C CD1 . LEU B 1 342 ? 26.559 11.166 50.514 1.00 41.64 ? 342 LEU B CD1 1 +ATOM 5420 C CD2 . LEU B 1 342 ? 28.315 12.295 49.155 1.00 12.02 ? 342 LEU B CD2 1 +ATOM 5421 N N . THR B 1 343 ? 26.813 17.010 49.496 1.00 29.43 ? 343 THR B N 1 +ATOM 5422 C CA . THR B 1 343 ? 26.062 18.201 49.203 1.00 36.17 ? 343 THR B CA 1 +ATOM 5423 C C . THR B 1 343 ? 24.804 17.942 48.370 1.00 46.37 ? 343 THR B C 1 +ATOM 5424 O O . THR B 1 343 ? 24.845 17.275 47.312 1.00 32.09 ? 343 THR B O 1 +ATOM 5425 C CB . THR B 1 343 ? 26.963 19.257 48.540 1.00 41.97 ? 343 THR B CB 1 +ATOM 5426 O OG1 . THR B 1 343 ? 28.110 19.511 49.333 1.00 81.18 ? 343 THR B OG1 1 +ATOM 5427 C CG2 . THR B 1 343 ? 26.131 20.522 48.340 1.00 45.73 ? 343 THR B CG2 1 +ATOM 5428 N N . GLY B 1 344 ? 23.671 18.497 48.847 1.00 32.02 ? 344 GLY B N 1 +ATOM 5429 C CA . GLY B 1 344 ? 22.419 18.347 48.125 1.00 11.95 ? 344 GLY B CA 1 +ATOM 5430 C C . GLY B 1 344 ? 21.705 17.073 48.512 1.00 17.28 ? 344 GLY B C 1 +ATOM 5431 O O . GLY B 1 344 ? 20.601 16.852 48.034 1.00 26.75 ? 344 GLY B O 1 +ATOM 5432 N N . LYS B 1 345 ? 22.309 16.246 49.381 1.00 15.80 ? 345 LYS B N 1 +ATOM 5433 C CA . LYS B 1 345 ? 21.663 15.015 49.782 1.00 12.14 ? 345 LYS B CA 1 +ATOM 5434 C C . LYS B 1 345 ? 21.182 14.933 51.235 1.00 19.42 ? 345 LYS B C 1 +ATOM 5435 O O . LYS B 1 345 ? 21.586 15.699 52.097 1.00 29.71 ? 345 LYS B O 1 +ATOM 5436 C CB . LYS B 1 345 ? 22.559 13.809 49.519 1.00 20.52 ? 345 LYS B CB 1 +ATOM 5437 C CG . LYS B 1 345 ? 23.187 13.754 48.139 1.00 15.13 ? 345 LYS B CG 1 +ATOM 5438 C CD . LYS B 1 345 ? 22.212 13.885 46.994 1.00 14.85 ? 345 LYS B CD 1 +ATOM 5439 C CE . LYS B 1 345 ? 22.559 13.075 45.766 1.00 26.71 ? 345 LYS B CE 1 +ATOM 5440 N NZ . LYS B 1 345 ? 21.511 13.260 44.746 1.00 30.77 ? 345 LYS B NZ 1 +ATOM 5441 N N . GLY B 1 346 ? 20.334 13.939 51.504 1.00 18.74 ? 346 GLY B N 1 +ATOM 5442 C CA . GLY B 1 346 ? 19.857 13.652 52.875 1.00 24.46 ? 346 GLY B CA 1 +ATOM 5443 C C . GLY B 1 346 ? 18.864 14.632 53.547 1.00 24.96 ? 346 GLY B C 1 +ATOM 5444 O O . GLY B 1 346 ? 18.423 14.417 54.668 1.00 18.05 ? 346 GLY B O 1 +ATOM 5445 N N . GLU B 1 347 ? 18.479 15.714 52.889 1.00 17.35 ? 347 GLU B N 1 +ATOM 5446 C CA . GLU B 1 347 ? 17.540 16.629 53.509 1.00 23.64 ? 347 GLU B CA 1 +ATOM 5447 C C . GLU B 1 347 ? 16.686 17.230 52.438 1.00 24.03 ? 347 GLU B C 1 +ATOM 5448 O O . GLU B 1 347 ? 17.177 17.533 51.343 1.00 30.79 ? 347 GLU B O 1 +ATOM 5449 C CB . GLU B 1 347 ? 18.196 17.803 54.286 1.00 22.77 ? 347 GLU B CB 1 +ATOM 5450 C CG . GLU B 1 347 ? 19.161 17.360 55.390 1.00 42.35 ? 347 GLU B CG 1 +ATOM 5451 C CD . GLU B 1 347 ? 19.698 18.540 56.153 1.00 100.00 ? 347 GLU B CD 1 +ATOM 5452 O OE1 . GLU B 1 347 ? 20.446 19.382 55.677 1.00 100.00 ? 347 GLU B OE1 1 +ATOM 5453 O OE2 . GLU B 1 347 ? 19.182 18.569 57.378 1.00 70.84 ? 347 GLU B OE2 1 +ATOM 5454 N N . ILE B 1 348 ? 15.417 17.402 52.786 1.00 27.78 ? 348 ILE B N 1 +ATOM 5455 C CA . ILE B 1 348 ? 14.475 18.034 51.882 1.00 36.30 ? 348 ILE B CA 1 +ATOM 5456 C C . ILE B 1 348 ? 14.453 19.542 52.179 1.00 31.10 ? 348 ILE B C 1 +ATOM 5457 O O . ILE B 1 348 ? 13.847 20.016 53.157 1.00 24.39 ? 348 ILE B O 1 +ATOM 5458 C CB . ILE B 1 348 ? 13.100 17.386 51.944 1.00 31.92 ? 348 ILE B CB 1 +ATOM 5459 C CG1 . ILE B 1 348 ? 13.150 15.939 51.440 1.00 25.24 ? 348 ILE B CG1 1 +ATOM 5460 C CG2 . ILE B 1 348 ? 12.167 18.226 51.098 1.00 28.20 ? 348 ILE B CG2 1 +ATOM 5461 C CD1 . ILE B 1 348 ? 12.445 14.986 52.401 1.00 28.18 ? 348 ILE B CD1 1 +ATOM 5462 N N . LEU B 1 349 ? 15.198 20.256 51.351 1.00 28.46 ? 349 LEU B N 1 +ATOM 5463 C CA . LEU B 1 349 ? 15.398 21.697 51.425 1.00 32.83 ? 349 LEU B CA 1 +ATOM 5464 C C . LEU B 1 349 ? 15.473 22.259 50.039 1.00 26.27 ? 349 LEU B C 1 +ATOM 5465 O O . LEU B 1 349 ? 16.075 21.691 49.142 1.00 26.40 ? 349 LEU B O 1 +ATOM 5466 C CB . LEU B 1 349 ? 16.768 22.020 52.068 1.00 35.01 ? 349 LEU B CB 1 +ATOM 5467 C CG . LEU B 1 349 ? 16.790 21.528 53.490 1.00 50.49 ? 349 LEU B CG 1 +ATOM 5468 C CD1 . LEU B 1 349 ? 18.186 21.560 54.075 1.00 53.10 ? 349 LEU B CD1 1 +ATOM 5469 C CD2 . LEU B 1 349 ? 15.814 22.392 54.275 1.00 47.47 ? 349 LEU B CD2 1 +ATOM 5470 N N . PRO B 1 350 ? 14.899 23.421 49.871 1.00 29.62 ? 350 PRO B N 1 +ATOM 5471 C CA . PRO B 1 350 ? 15.004 24.005 48.576 1.00 18.79 ? 350 PRO B CA 1 +ATOM 5472 C C . PRO B 1 350 ? 16.471 24.019 48.188 1.00 21.12 ? 350 PRO B C 1 +ATOM 5473 O O . PRO B 1 350 ? 17.342 24.254 48.987 1.00 30.29 ? 350 PRO B O 1 +ATOM 5474 C CB . PRO B 1 350 ? 14.399 25.400 48.665 1.00 23.09 ? 350 PRO B CB 1 +ATOM 5475 C CG . PRO B 1 350 ? 13.493 25.357 49.876 1.00 23.62 ? 350 PRO B CG 1 +ATOM 5476 C CD . PRO B 1 350 ? 14.112 24.295 50.796 1.00 29.50 ? 350 PRO B CD 1 +ATOM 5477 N N . GLY B 1 351 ? 16.748 23.733 46.945 1.00 24.02 ? 351 GLY B N 1 +ATOM 5478 C CA . GLY B 1 351 ? 18.125 23.697 46.484 1.00 21.71 ? 351 GLY B CA 1 +ATOM 5479 C C . GLY B 1 351 ? 18.709 22.283 46.558 1.00 36.16 ? 351 GLY B C 1 +ATOM 5480 O O . GLY B 1 351 ? 19.670 22.015 45.862 1.00 33.69 ? 351 GLY B O 1 +ATOM 5481 N N . ASN B 1 352 ? 18.142 21.375 47.382 1.00 17.45 ? 352 ASN B N 1 +ATOM 5482 C CA . ASN B 1 352 ? 18.636 20.006 47.417 1.00 14.10 ? 352 ASN B CA 1 +ATOM 5483 C C . ASN B 1 352 ? 18.146 19.171 46.226 1.00 29.46 ? 352 ASN B C 1 +ATOM 5484 O O . ASN B 1 352 ? 17.249 19.553 45.469 1.00 26.17 ? 352 ASN B O 1 +ATOM 5485 C CB . ASN B 1 352 ? 18.390 19.288 48.751 1.00 19.03 ? 352 ASN B CB 1 +ATOM 5486 C CG . ASN B 1 352 ? 19.369 19.803 49.773 1.00 30.93 ? 352 ASN B CG 1 +ATOM 5487 O OD1 . ASN B 1 352 ? 20.338 20.460 49.373 1.00 22.26 ? 352 ASN B OD1 1 +ATOM 5488 N ND2 . ASN B 1 352 ? 19.108 19.536 51.047 1.00 23.44 ? 352 ASN B ND2 1 +ATOM 5489 N N . ASP B 1 353 ? 18.753 18.022 46.037 1.00 25.92 ? 353 ASP B N 1 +ATOM 5490 C CA . ASP B 1 353 ? 18.324 17.151 44.965 1.00 23.02 ? 353 ASP B CA 1 +ATOM 5491 C C . ASP B 1 353 ? 17.006 16.436 45.304 1.00 25.85 ? 353 ASP B C 1 +ATOM 5492 O O . ASP B 1 353 ? 16.811 15.949 46.425 1.00 15.18 ? 353 ASP B O 1 +ATOM 5493 C CB . ASP B 1 353 ? 19.372 16.071 44.652 1.00 19.57 ? 353 ASP B CB 1 +ATOM 5494 C CG . ASP B 1 353 ? 20.586 16.590 43.950 1.00 42.93 ? 353 ASP B CG 1 +ATOM 5495 O OD1 . ASP B 1 353 ? 20.634 17.691 43.424 1.00 48.75 ? 353 ASP B OD1 1 +ATOM 5496 O OD2 . ASP B 1 353 ? 21.554 15.700 43.915 1.00 35.37 ? 353 ASP B OD2 1 +ATOM 5497 N N . ALA B 1 354 ? 16.122 16.302 44.300 1.00 19.34 ? 354 ALA B N 1 +ATOM 5498 C CA . ALA B 1 354 ? 14.851 15.599 44.463 1.00 24.30 ? 354 ALA B CA 1 +ATOM 5499 C C . ALA B 1 354 ? 14.970 14.067 44.610 1.00 28.21 ? 354 ALA B C 1 +ATOM 5500 O O . ALA B 1 354 ? 14.552 13.282 43.750 1.00 21.98 ? 354 ALA B O 1 +ATOM 5501 C CB . ALA B 1 354 ? 13.798 16.030 43.431 1.00 20.30 ? 354 ALA B CB 1 +ATOM 5502 N N . ASP B 1 355 ? 15.586 13.658 45.711 1.00 17.25 ? 355 ASP B N 1 +ATOM 5503 C CA . ASP B 1 355 ? 15.762 12.266 46.049 1.00 20.03 ? 355 ASP B CA 1 +ATOM 5504 C C . ASP B 1 355 ? 14.749 12.006 47.161 1.00 21.54 ? 355 ASP B C 1 +ATOM 5505 O O . ASP B 1 355 ? 15.016 12.289 48.317 1.00 24.20 ? 355 ASP B O 1 +ATOM 5506 C CB . ASP B 1 355 ? 17.191 11.973 46.552 1.00 21.81 ? 355 ASP B CB 1 +ATOM 5507 C CG . ASP B 1 355 ? 18.221 12.084 45.475 1.00 28.50 ? 355 ASP B CG 1 +ATOM 5508 O OD1 . ASP B 1 355 ? 17.950 12.264 44.292 1.00 24.85 ? 355 ASP B OD1 1 +ATOM 5509 O OD2 . ASP B 1 355 ? 19.428 11.996 45.952 1.00 29.31 ? 355 ASP B OD2 1 +ATOM 5510 N N . LEU B 1 356 ? 13.580 11.483 46.782 1.00 24.73 ? 356 LEU B N 1 +ATOM 5511 C CA . LEU B 1 356 ? 12.537 11.317 47.742 1.00 20.28 ? 356 LEU B CA 1 +ATOM 5512 C C . LEU B 1 356 ? 11.837 9.985 47.784 1.00 18.50 ? 356 LEU B C 1 +ATOM 5513 O O . LEU B 1 356 ? 11.662 9.311 46.792 1.00 21.37 ? 356 LEU B O 1 +ATOM 5514 C CB . LEU B 1 356 ? 11.506 12.433 47.451 1.00 19.19 ? 356 LEU B CB 1 +ATOM 5515 C CG . LEU B 1 356 ? 12.101 13.843 47.295 1.00 29.56 ? 356 LEU B CG 1 +ATOM 5516 C CD1 . LEU B 1 356 ? 11.336 14.641 46.244 1.00 24.63 ? 356 LEU B CD1 1 +ATOM 5517 C CD2 . LEU B 1 356 ? 12.059 14.648 48.589 1.00 27.82 ? 356 LEU B CD2 1 +ATOM 5518 N N . LEU B 1 357 ? 11.379 9.647 48.983 1.00 30.39 ? 357 LEU B N 1 +ATOM 5519 C CA . LEU B 1 357 ? 10.632 8.429 49.200 1.00 18.15 ? 357 LEU B CA 1 +ATOM 5520 C C . LEU B 1 357 ? 9.209 8.741 49.586 1.00 31.74 ? 357 LEU B C 1 +ATOM 5521 O O . LEU B 1 357 ? 8.927 9.665 50.367 1.00 27.19 ? 357 LEU B O 1 +ATOM 5522 C CB . LEU B 1 357 ? 11.188 7.549 50.324 1.00 21.75 ? 357 LEU B CB 1 +ATOM 5523 C CG . LEU B 1 357 ? 12.650 7.219 50.244 1.00 29.05 ? 357 LEU B CG 1 +ATOM 5524 C CD1 . LEU B 1 357 ? 12.983 6.403 51.488 1.00 23.31 ? 357 LEU B CD1 1 +ATOM 5525 C CD2 . LEU B 1 357 ? 12.851 6.350 49.003 1.00 22.71 ? 357 LEU B CD2 1 +ATOM 5526 N N . VAL B 1 358 ? 8.311 7.933 49.048 1.00 33.75 ? 358 VAL B N 1 +ATOM 5527 C CA . VAL B 1 358 ? 6.913 8.017 49.375 1.00 27.16 ? 358 VAL B CA 1 +ATOM 5528 C C . VAL B 1 358 ? 6.565 6.725 50.071 1.00 37.38 ? 358 VAL B C 1 +ATOM 5529 O O . VAL B 1 358 ? 6.764 5.648 49.503 1.00 40.43 ? 358 VAL B O 1 +ATOM 5530 C CB . VAL B 1 358 ? 6.023 8.158 48.188 1.00 24.29 ? 358 VAL B CB 1 +ATOM 5531 C CG1 . VAL B 1 358 ? 4.590 8.099 48.703 1.00 21.58 ? 358 VAL B CG1 1 +ATOM 5532 C CG2 . VAL B 1 358 ? 6.324 9.462 47.469 1.00 12.36 ? 358 VAL B CG2 1 +ATOM 5533 N N . MET B 1 359 ? 6.058 6.838 51.283 1.00 38.58 ? 359 MET B N 1 +ATOM 5534 C CA . MET B 1 359 ? 5.704 5.676 52.082 1.00 33.34 ? 359 MET B CA 1 +ATOM 5535 C C . MET B 1 359 ? 4.323 5.792 52.690 1.00 41.85 ? 359 MET B C 1 +ATOM 5536 O O . MET B 1 359 ? 3.725 6.876 52.735 1.00 29.38 ? 359 MET B O 1 +ATOM 5537 C CB . MET B 1 359 ? 6.686 5.543 53.261 1.00 31.51 ? 359 MET B CB 1 +ATOM 5538 C CG . MET B 1 359 ? 8.106 5.247 52.831 1.00 35.25 ? 359 MET B CG 1 +ATOM 5539 S SD . MET B 1 359 ? 9.156 4.910 54.254 1.00 38.88 ? 359 MET B SD 1 +ATOM 5540 C CE . MET B 1 359 ? 9.400 6.564 54.900 1.00 41.13 ? 359 MET B CE 1 +ATOM 5541 N N . THR B 1 360 ? 3.879 4.650 53.196 1.00 33.82 ? 360 THR B N 1 +ATOM 5542 C CA . THR B 1 360 ? 2.621 4.541 53.870 1.00 28.75 ? 360 THR B CA 1 +ATOM 5543 C C . THR B 1 360 ? 2.911 4.919 55.277 1.00 40.07 ? 360 THR B C 1 +ATOM 5544 O O . THR B 1 360 ? 4.046 4.889 55.710 1.00 39.18 ? 360 THR B O 1 +ATOM 5545 C CB . THR B 1 360 ? 2.055 3.134 53.923 1.00 33.40 ? 360 THR B CB 1 +ATOM 5546 O OG1 . THR B 1 360 ? 2.932 2.359 54.727 1.00 42.86 ? 360 THR B OG1 1 +ATOM 5547 C CG2 . THR B 1 360 ? 1.904 2.607 52.523 1.00 18.66 ? 360 THR B CG2 1 +ATOM 5548 N N . PRO B 1 361 ? 1.863 5.227 55.991 1.00 45.62 ? 361 PRO B N 1 +ATOM 5549 C CA . PRO B 1 361 ? 2.035 5.638 57.344 1.00 39.26 ? 361 PRO B CA 1 +ATOM 5550 C C . PRO B 1 361 ? 2.712 4.606 58.205 1.00 39.73 ? 361 PRO B C 1 +ATOM 5551 O O . PRO B 1 361 ? 3.320 4.945 59.226 1.00 44.21 ? 361 PRO B O 1 +ATOM 5552 C CB . PRO B 1 361 ? 0.651 5.987 57.869 1.00 42.41 ? 361 PRO B CB 1 +ATOM 5553 C CG . PRO B 1 361 ? -0.272 6.067 56.664 1.00 45.26 ? 361 PRO B CG 1 +ATOM 5554 C CD . PRO B 1 361 ? 0.453 5.375 55.535 1.00 48.68 ? 361 PRO B CD 1 +ATOM 5555 N N . GLU B 1 362 ? 2.596 3.348 57.779 1.00 44.35 ? 362 GLU B N 1 +ATOM 5556 C CA . GLU B 1 362 ? 3.186 2.242 58.519 1.00 48.08 ? 362 GLU B CA 1 +ATOM 5557 C C . GLU B 1 362 ? 4.626 1.916 58.084 1.00 48.62 ? 362 GLU B C 1 +ATOM 5558 O O . GLU B 1 362 ? 5.281 0.932 58.468 1.00 48.45 ? 362 GLU B O 1 +ATOM 5559 C CB . GLU B 1 362 ? 2.227 1.085 58.938 1.00 43.40 ? 362 GLU B CB 1 +ATOM 5560 C CG . GLU B 1 362 ? 0.869 1.158 58.206 1.00 71.36 ? 362 GLU B CG 1 +ATOM 5561 C CD . GLU B 1 362 ? 1.048 1.230 56.751 1.00 100.00 ? 362 GLU B CD 1 +ATOM 5562 O OE1 . GLU B 1 362 ? 2.057 0.773 56.190 1.00 100.00 ? 362 GLU B OE1 1 +ATOM 5563 O OE2 . GLU B 1 362 ? 0.048 1.818 56.105 1.00 100.00 ? 362 GLU B OE2 1 +ATOM 5564 N N . LEU B 1 363 ? 5.103 2.860 57.290 1.00 38.43 ? 363 LEU B N 1 +ATOM 5565 C CA . LEU B 1 363 ? 6.434 2.903 56.728 1.00 34.28 ? 363 LEU B CA 1 +ATOM 5566 C C . LEU B 1 363 ? 6.719 1.847 55.667 1.00 44.77 ? 363 LEU B C 1 +ATOM 5567 O O . LEU B 1 363 ? 7.625 1.032 55.808 1.00 31.00 ? 363 LEU B O 1 +ATOM 5568 C CB . LEU B 1 363 ? 7.528 2.865 57.822 1.00 30.66 ? 363 LEU B CB 1 +ATOM 5569 C CG . LEU B 1 363 ? 7.341 3.861 58.981 1.00 37.42 ? 363 LEU B CG 1 +ATOM 5570 C CD1 . LEU B 1 363 ? 8.492 3.735 59.983 1.00 34.28 ? 363 LEU B CD1 1 +ATOM 5571 C CD2 . LEU B 1 363 ? 7.306 5.290 58.449 1.00 23.89 ? 363 LEU B CD2 1 +ATOM 5572 N N . ARG B 1 364 ? 5.954 1.871 54.600 1.00 38.31 ? 364 ARG B N 1 +ATOM 5573 C CA . ARG B 1 364 ? 6.155 0.941 53.503 1.00 24.29 ? 364 ARG B CA 1 +ATOM 5574 C C . ARG B 1 364 ? 6.372 1.807 52.278 1.00 39.49 ? 364 ARG B C 1 +ATOM 5575 O O . ARG B 1 364 ? 5.644 2.804 52.085 1.00 19.86 ? 364 ARG B O 1 +ATOM 5576 C CB . ARG B 1 364 ? 4.987 -0.016 53.301 1.00 45.39 ? 364 ARG B CB 1 +ATOM 5577 C CG . ARG B 1 364 ? 4.909 -0.530 51.840 1.00 100.00 ? 364 ARG B CG 1 +ATOM 5578 C CD . ARG B 1 364 ? 3.524 -1.034 51.316 1.00 100.00 ? 364 ARG B CD 1 +ATOM 5579 N NE . ARG B 1 364 ? 3.632 -1.975 50.178 1.00 100.00 ? 364 ARG B NE 1 +ATOM 5580 C CZ . ARG B 1 364 ? 2.834 -3.042 49.856 1.00 100.00 ? 364 ARG B CZ 1 +ATOM 5581 N NH1 . ARG B 1 364 ? 1.756 -3.474 50.571 1.00 66.13 ? 364 ARG B NH1 1 +ATOM 5582 N NH2 . ARG B 1 364 ? 3.186 -3.724 48.759 1.00 100.00 ? 364 ARG B NH2 1 +ATOM 5583 N N . ILE B 1 365 ? 7.373 1.433 51.486 1.00 27.66 ? 365 ILE B N 1 +ATOM 5584 C CA . ILE B 1 365 ? 7.706 2.198 50.304 1.00 17.36 ? 365 ILE B CA 1 +ATOM 5585 C C . ILE B 1 365 ? 6.702 2.070 49.195 1.00 32.53 ? 365 ILE B C 1 +ATOM 5586 O O . ILE B 1 365 ? 6.325 0.975 48.838 1.00 44.66 ? 365 ILE B O 1 +ATOM 5587 C CB . ILE B 1 365 ? 9.099 1.881 49.783 1.00 28.55 ? 365 ILE B CB 1 +ATOM 5588 C CG1 . ILE B 1 365 ? 10.128 2.081 50.907 1.00 23.61 ? 365 ILE B CG1 1 +ATOM 5589 C CG2 . ILE B 1 365 ? 9.387 2.794 48.588 1.00 24.28 ? 365 ILE B CG2 1 +ATOM 5590 C CD1 . ILE B 1 365 ? 11.550 2.307 50.417 1.00 32.15 ? 365 ILE B CD1 1 +ATOM 5591 N N . GLU B 1 366 ? 6.277 3.197 48.635 1.00 25.98 ? 366 GLU B N 1 +ATOM 5592 C CA . GLU B 1 366 ? 5.300 3.154 47.561 1.00 10.12 ? 366 GLU B CA 1 +ATOM 5593 C C . GLU B 1 366 ? 5.908 3.759 46.316 1.00 31.95 ? 366 GLU B C 1 +ATOM 5594 O O . GLU B 1 366 ? 5.829 3.171 45.234 1.00 38.41 ? 366 GLU B O 1 +ATOM 5595 C CB . GLU B 1 366 ? 4.041 3.942 47.960 1.00 22.29 ? 366 GLU B CB 1 +ATOM 5596 C CG . GLU B 1 366 ? 3.182 3.284 49.039 1.00 42.16 ? 366 GLU B CG 1 +ATOM 5597 C CD . GLU B 1 366 ? 2.150 4.260 49.571 1.00 100.00 ? 366 GLU B CD 1 +ATOM 5598 O OE1 . GLU B 1 366 ? 2.376 5.049 50.495 1.00 86.25 ? 366 GLU B OE1 1 +ATOM 5599 O OE2 . GLU B 1 366 ? 1.006 4.210 48.906 1.00 100.00 ? 366 GLU B OE2 1 +ATOM 5600 N N . GLN B 1 367 ? 6.531 4.939 46.508 1.00 29.91 ? 367 GLN B N 1 +ATOM 5601 C CA . GLN B 1 367 ? 7.207 5.629 45.441 1.00 27.41 ? 367 GLN B CA 1 +ATOM 5602 C C . GLN B 1 367 ? 8.645 6.011 45.804 1.00 42.53 ? 367 GLN B C 1 +ATOM 5603 O O . GLN B 1 367 ? 9.032 6.106 46.976 1.00 28.91 ? 367 GLN B O 1 +ATOM 5604 C CB . GLN B 1 367 ? 6.461 6.842 44.866 1.00 37.11 ? 367 GLN B CB 1 +ATOM 5605 C CG . GLN B 1 367 ? 4.965 6.600 44.571 1.00 47.60 ? 367 GLN B CG 1 +ATOM 5606 C CD . GLN B 1 367 ? 4.408 7.791 43.805 1.00 55.28 ? 367 GLN B CD 1 +ATOM 5607 O OE1 . GLN B 1 367 ? 3.261 7.816 43.359 1.00 83.47 ? 367 GLN B OE1 1 +ATOM 5608 N NE2 . GLN B 1 367 ? 5.262 8.788 43.639 1.00 43.69 ? 367 GLN B NE2 1 +ATOM 5609 N N . VAL B 1 368 ? 9.433 6.226 44.750 1.00 26.30 ? 368 VAL B N 1 +ATOM 5610 C CA . VAL B 1 368 ? 10.799 6.617 44.887 1.00 20.84 ? 368 VAL B CA 1 +ATOM 5611 C C . VAL B 1 368 ? 11.174 7.556 43.774 1.00 20.25 ? 368 VAL B C 1 +ATOM 5612 O O . VAL B 1 368 ? 10.990 7.220 42.621 1.00 23.44 ? 368 VAL B O 1 +ATOM 5613 C CB . VAL B 1 368 ? 11.771 5.427 44.870 1.00 27.15 ? 368 VAL B CB 1 +ATOM 5614 C CG1 . VAL B 1 368 ? 13.230 5.906 44.730 1.00 18.34 ? 368 VAL B CG1 1 +ATOM 5615 C CG2 . VAL B 1 368 ? 11.670 4.524 46.114 1.00 19.63 ? 368 VAL B CG2 1 +ATOM 5616 N N . TYR B 1 369 ? 11.722 8.716 44.140 1.00 20.42 ? 369 TYR B N 1 +ATOM 5617 C CA . TYR B 1 369 ? 12.233 9.704 43.192 1.00 28.19 ? 369 TYR B CA 1 +ATOM 5618 C C . TYR B 1 369 ? 13.744 9.880 43.317 1.00 28.13 ? 369 TYR B C 1 +ATOM 5619 O O . TYR B 1 369 ? 14.307 9.986 44.416 1.00 24.78 ? 369 TYR B O 1 +ATOM 5620 C CB . TYR B 1 369 ? 11.625 11.081 43.402 1.00 38.21 ? 369 TYR B CB 1 +ATOM 5621 C CG . TYR B 1 369 ? 10.165 10.981 43.140 1.00 30.46 ? 369 TYR B CG 1 +ATOM 5622 C CD1 . TYR B 1 369 ? 9.292 10.438 44.079 1.00 21.95 ? 369 TYR B CD1 1 +ATOM 5623 C CD2 . TYR B 1 369 ? 9.682 11.374 41.894 1.00 28.37 ? 369 TYR B CD2 1 +ATOM 5624 C CE1 . TYR B 1 369 ? 7.930 10.346 43.793 1.00 24.14 ? 369 TYR B CE1 1 +ATOM 5625 C CE2 . TYR B 1 369 ? 8.335 11.236 41.569 1.00 25.66 ? 369 TYR B CE2 1 +ATOM 5626 C CZ . TYR B 1 369 ? 7.459 10.754 42.541 1.00 41.58 ? 369 TYR B CZ 1 +ATOM 5627 O OH . TYR B 1 369 ? 6.129 10.688 42.185 1.00 46.35 ? 369 TYR B OH 1 +ATOM 5628 N N . ALA B 1 370 ? 14.415 9.881 42.168 1.00 23.76 ? 370 ALA B N 1 +ATOM 5629 C CA . ALA B 1 370 ? 15.854 10.033 42.173 1.00 31.76 ? 370 ALA B CA 1 +ATOM 5630 C C . ALA B 1 370 ? 16.057 11.202 41.310 1.00 33.35 ? 370 ALA B C 1 +ATOM 5631 O O . ALA B 1 370 ? 15.603 11.156 40.178 1.00 24.62 ? 370 ALA B O 1 +ATOM 5632 C CB . ALA B 1 370 ? 16.649 8.851 41.604 1.00 25.40 ? 370 ALA B CB 1 +ATOM 5633 N N . ARG B 1 371 ? 16.682 12.220 41.871 1.00 34.05 ? 371 ARG B N 1 +ATOM 5634 C CA . ARG B 1 371 ? 16.894 13.419 41.119 1.00 22.85 ? 371 ARG B CA 1 +ATOM 5635 C C . ARG B 1 371 ? 15.640 13.798 40.397 1.00 20.94 ? 371 ARG B C 1 +ATOM 5636 O O . ARG B 1 371 ? 15.680 14.163 39.241 1.00 20.15 ? 371 ARG B O 1 +ATOM 5637 C CB . ARG B 1 371 ? 18.122 13.378 40.245 1.00 34.21 ? 371 ARG B CB 1 +ATOM 5638 C CG . ARG B 1 371 ? 19.391 13.239 41.097 1.00 58.45 ? 371 ARG B CG 1 +ATOM 5639 C CD . ARG B 1 371 ? 20.380 12.200 40.566 1.00 39.86 ? 371 ARG B CD 1 +ATOM 5640 N NE . ARG B 1 371 ? 21.090 12.676 39.367 1.00 79.77 ? 371 ARG B NE 1 +ATOM 5641 C CZ . ARG B 1 371 ? 21.569 11.889 38.397 1.00 35.95 ? 371 ARG B CZ 1 +ATOM 5642 N NH1 . ARG B 1 371 ? 21.432 10.573 38.462 1.00 44.36 ? 371 ARG B NH1 1 +ATOM 5643 N NH2 . ARG B 1 371 ? 22.201 12.404 37.344 1.00 83.29 ? 371 ARG B NH2 1 +ATOM 5644 N N . GLY B 1 372 ? 14.522 13.720 41.107 1.00 35.25 ? 372 GLY B N 1 +ATOM 5645 C CA . GLY B 1 372 ? 13.234 14.096 40.562 1.00 30.08 ? 372 GLY B CA 1 +ATOM 5646 C C . GLY B 1 372 ? 12.642 13.077 39.607 1.00 41.77 ? 372 GLY B C 1 +ATOM 5647 O O . GLY B 1 372 ? 11.579 13.276 39.006 1.00 22.04 ? 372 GLY B O 1 +ATOM 5648 N N . LYS B 1 373 ? 13.289 11.944 39.447 1.00 36.48 ? 373 LYS B N 1 +ATOM 5649 C CA . LYS B 1 373 ? 12.714 11.013 38.494 1.00 29.76 ? 373 LYS B CA 1 +ATOM 5650 C C . LYS B 1 373 ? 12.020 9.886 39.190 1.00 26.33 ? 373 LYS B C 1 +ATOM 5651 O O . LYS B 1 373 ? 12.554 9.357 40.176 1.00 25.14 ? 373 LYS B O 1 +ATOM 5652 C CB . LYS B 1 373 ? 13.764 10.524 37.506 1.00 33.82 ? 373 LYS B CB 1 +ATOM 5653 C CG . LYS B 1 373 ? 13.333 9.362 36.636 1.00 65.59 ? 373 LYS B CG 1 +ATOM 5654 C CD . LYS B 1 373 ? 14.481 8.767 35.820 1.00 79.87 ? 373 LYS B CD 1 +ATOM 5655 C CE . LYS B 1 373 ? 14.065 8.295 34.420 1.00 100.00 ? 373 LYS B CE 1 +ATOM 5656 N NZ . LYS B 1 373 ? 15.215 7.956 33.568 1.00 100.00 ? 373 LYS B NZ 1 +ATOM 5657 N N . LEU B 1 374 ? 10.844 9.522 38.666 1.00 34.21 ? 374 LEU B N 1 +ATOM 5658 C CA . LEU B 1 374 ? 10.097 8.427 39.248 1.00 32.16 ? 374 LEU B CA 1 +ATOM 5659 C C . LEU B 1 374 ? 10.754 7.115 38.926 1.00 34.00 ? 374 LEU B C 1 +ATOM 5660 O O . LEU B 1 374 ? 10.812 6.738 37.776 1.00 30.77 ? 374 LEU B O 1 +ATOM 5661 C CB . LEU B 1 374 ? 8.604 8.383 38.904 1.00 32.89 ? 374 LEU B CB 1 +ATOM 5662 C CG . LEU B 1 374 ? 7.809 7.325 39.692 1.00 36.77 ? 374 LEU B CG 1 +ATOM 5663 C CD1 . LEU B 1 374 ? 7.896 7.488 41.210 1.00 27.74 ? 374 LEU B CD1 1 +ATOM 5664 C CD2 . LEU B 1 374 ? 6.339 7.360 39.311 1.00 44.43 ? 374 LEU B CD2 1 +ATOM 5665 N N . MET B 1 375 ? 11.252 6.443 39.953 1.00 24.11 ? 375 MET B N 1 +ATOM 5666 C CA . MET B 1 375 ? 11.935 5.179 39.762 1.00 23.91 ? 375 MET B CA 1 +ATOM 5667 C C . MET B 1 375 ? 11.133 3.973 40.246 1.00 34.68 ? 375 MET B C 1 +ATOM 5668 O O . MET B 1 375 ? 11.298 2.861 39.765 1.00 27.06 ? 375 MET B O 1 +ATOM 5669 C CB . MET B 1 375 ? 13.276 5.159 40.527 1.00 23.88 ? 375 MET B CB 1 +ATOM 5670 C CG . MET B 1 375 ? 14.086 6.429 40.359 1.00 29.38 ? 375 MET B CG 1 +ATOM 5671 S SD . MET B 1 375 ? 14.975 6.410 38.778 1.00 31.23 ? 375 MET B SD 1 +ATOM 5672 C CE . MET B 1 375 ? 16.267 5.177 39.080 1.00 20.04 ? 375 MET B CE 1 +ATOM 5673 N N . VAL B 1 376 ? 10.309 4.185 41.256 1.00 34.82 ? 376 VAL B N 1 +ATOM 5674 C CA . VAL B 1 376 ? 9.517 3.129 41.837 1.00 18.97 ? 376 VAL B CA 1 +ATOM 5675 C C . VAL B 1 376 ? 8.127 3.609 42.050 1.00 33.22 ? 376 VAL B C 1 +ATOM 5676 O O . VAL B 1 376 ? 7.880 4.699 42.570 1.00 30.44 ? 376 VAL B O 1 +ATOM 5677 C CB . VAL B 1 376 ? 10.055 2.636 43.160 1.00 26.57 ? 376 VAL B CB 1 +ATOM 5678 C CG1 . VAL B 1 376 ? 9.081 1.652 43.803 1.00 24.56 ? 376 VAL B CG1 1 +ATOM 5679 C CG2 . VAL B 1 376 ? 11.395 1.959 42.913 1.00 34.96 ? 376 VAL B CG2 1 +ATOM 5680 N N . LYS B 1 377 ? 7.241 2.741 41.645 1.00 30.97 ? 377 LYS B N 1 +ATOM 5681 C CA . LYS B 1 377 ? 5.841 3.005 41.782 1.00 38.91 ? 377 LYS B CA 1 +ATOM 5682 C C . LYS B 1 377 ? 5.162 1.774 42.307 1.00 42.68 ? 377 LYS B C 1 +ATOM 5683 O O . LYS B 1 377 ? 5.372 0.676 41.817 1.00 40.98 ? 377 LYS B O 1 +ATOM 5684 C CB . LYS B 1 377 ? 5.206 3.463 40.482 1.00 44.83 ? 377 LYS B CB 1 +ATOM 5685 C CG . LYS B 1 377 ? 3.935 4.252 40.691 1.00 53.09 ? 377 LYS B CG 1 +ATOM 5686 C CD . LYS B 1 377 ? 3.058 4.233 39.435 1.00 100.00 ? 377 LYS B CD 1 +ATOM 5687 C CE . LYS B 1 377 ? 1.763 5.068 39.508 1.00 100.00 ? 377 LYS B CE 1 +ATOM 5688 N NZ . LYS B 1 377 ? 1.853 6.359 38.846 1.00 100.00 ? 377 LYS B NZ 1 +ATOM 5689 N N . ASP B 1 378 ? 4.351 1.998 43.315 1.00 48.94 ? 378 ASP B N 1 +ATOM 5690 C CA . ASP B 1 378 ? 3.602 0.950 43.983 1.00 54.25 ? 378 ASP B CA 1 +ATOM 5691 C C . ASP B 1 378 ? 4.527 -0.132 44.457 1.00 58.00 ? 378 ASP B C 1 +ATOM 5692 O O . ASP B 1 378 ? 4.235 -1.328 44.384 1.00 58.72 ? 378 ASP B O 1 +ATOM 5693 C CB . ASP B 1 378 ? 2.401 0.391 43.194 1.00 57.66 ? 378 ASP B CB 1 +ATOM 5694 C CG . ASP B 1 378 ? 1.337 1.426 42.911 1.00 90.61 ? 378 ASP B CG 1 +ATOM 5695 O OD1 . ASP B 1 378 ? 0.882 2.153 43.784 1.00 100.00 ? 378 ASP B OD1 1 +ATOM 5696 O OD2 . ASP B 1 378 ? 0.965 1.424 41.645 1.00 43.54 ? 378 ASP B OD2 1 +ATOM 5697 N N . GLY B 1 379 ? 5.655 0.332 44.965 1.00 44.54 ? 379 GLY B N 1 +ATOM 5698 C CA . GLY B 1 379 ? 6.647 -0.578 45.493 1.00 39.84 ? 379 GLY B CA 1 +ATOM 5699 C C . GLY B 1 379 ? 7.291 -1.402 44.402 1.00 45.64 ? 379 GLY B C 1 +ATOM 5700 O O . GLY B 1 379 ? 7.803 -2.490 44.669 1.00 60.94 ? 379 GLY B O 1 +ATOM 5701 N N . LYS B 1 380 ? 7.286 -0.879 43.174 1.00 34.38 ? 380 LYS B N 1 +ATOM 5702 C CA . LYS B 1 380 ? 7.889 -1.597 42.048 1.00 39.08 ? 380 LYS B CA 1 +ATOM 5703 C C . LYS B 1 380 ? 8.662 -0.753 41.045 1.00 46.06 ? 380 LYS B C 1 +ATOM 5704 O O . LYS B 1 380 ? 8.196 0.254 40.509 1.00 49.75 ? 380 LYS B O 1 +ATOM 5705 C CB . LYS B 1 380 ? 7.032 -2.684 41.409 1.00 31.65 ? 380 LYS B CB 1 +ATOM 5706 C CG . LYS B 1 380 ? 6.912 -3.916 42.305 1.00 80.56 ? 380 LYS B CG 1 +ATOM 5707 C CD . LYS B 1 380 ? 5.850 -4.916 41.866 1.00 100.00 ? 380 LYS B CD 1 +ATOM 5708 C CE . LYS B 1 380 ? 4.520 -4.827 42.623 1.00 100.00 ? 380 LYS B CE 1 +ATOM 5709 N NZ . LYS B 1 380 ? 3.505 -5.795 42.219 1.00 100.00 ? 380 LYS B NZ 1 +ATOM 5710 N N . ALA B 1 381 ? 9.890 -1.197 40.800 1.00 34.77 ? 381 ALA B N 1 +ATOM 5711 C CA . ALA B 1 381 ? 10.750 -0.471 39.908 1.00 30.48 ? 381 ALA B CA 1 +ATOM 5712 C C . ALA B 1 381 ? 10.091 -0.285 38.571 1.00 37.03 ? 381 ALA B C 1 +ATOM 5713 O O . ALA B 1 381 ? 9.625 -1.235 37.970 1.00 44.32 ? 381 ALA B O 1 +ATOM 5714 C CB . ALA B 1 381 ? 12.164 -1.042 39.815 1.00 21.01 ? 381 ALA B CB 1 +ATOM 5715 N N . CYS B 1 382 ? 10.030 0.941 38.127 1.00 38.10 ? 382 CYS B N 1 +ATOM 5716 C CA . CYS B 1 382 ? 9.460 1.209 36.834 1.00 45.57 ? 382 CYS B CA 1 +ATOM 5717 C C . CYS B 1 382 ? 10.615 1.623 35.943 1.00 41.85 ? 382 CYS B C 1 +ATOM 5718 O O . CYS B 1 382 ? 10.442 1.871 34.770 1.00 51.52 ? 382 CYS B O 1 +ATOM 5719 C CB . CYS B 1 382 ? 8.311 2.246 36.875 1.00 45.85 ? 382 CYS B CB 1 +ATOM 5720 S SG . CYS B 1 382 ? 8.824 3.821 37.577 1.00 45.48 ? 382 CYS B SG 1 +ATOM 5721 N N . VAL B 1 383 ? 11.807 1.713 36.554 1.00 32.24 ? 383 VAL B N 1 +ATOM 5722 C CA . VAL B 1 383 ? 13.050 2.062 35.895 1.00 32.81 ? 383 VAL B CA 1 +ATOM 5723 C C . VAL B 1 383 ? 14.070 1.004 36.267 1.00 45.38 ? 383 VAL B C 1 +ATOM 5724 O O . VAL B 1 383 ? 14.345 0.758 37.446 1.00 50.70 ? 383 VAL B O 1 +ATOM 5725 C CB . VAL B 1 383 ? 13.596 3.459 36.215 1.00 39.95 ? 383 VAL B CB 1 +ATOM 5726 C CG1 . VAL B 1 383 ? 14.851 3.733 35.395 1.00 37.52 ? 383 VAL B CG1 1 +ATOM 5727 C CG2 . VAL B 1 383 ? 12.559 4.554 35.969 1.00 35.93 ? 383 VAL B CG2 1 +ATOM 5728 N N . LYS B 1 384 ? 14.616 0.335 35.263 1.00 44.78 ? 384 LYS B N 1 +ATOM 5729 C CA . LYS B 1 384 ? 15.585 -0.712 35.550 1.00 34.37 ? 384 LYS B CA 1 +ATOM 5730 C C . LYS B 1 384 ? 16.902 -0.462 34.843 1.00 35.70 ? 384 LYS B C 1 +ATOM 5731 O O . LYS B 1 384 ? 17.034 0.292 33.846 1.00 23.89 ? 384 LYS B O 1 +ATOM 5732 C CB . LYS B 1 384 ? 15.139 -2.138 35.160 1.00 31.26 ? 384 LYS B CB 1 +ATOM 5733 C CG . LYS B 1 384 ? 13.866 -2.663 35.807 1.00 37.74 ? 384 LYS B CG 1 +ATOM 5734 C CD . LYS B 1 384 ? 13.357 -3.934 35.137 1.00 100.00 ? 384 LYS B CD 1 +ATOM 5735 C CE . LYS B 1 384 ? 11.900 -4.260 35.477 1.00 100.00 ? 384 LYS B CE 1 +ATOM 5736 N NZ . LYS B 1 384 ? 11.287 -5.138 34.478 1.00 100.00 ? 384 LYS B NZ 1 +ATOM 5737 N N . GLY B 1 385 ? 17.875 -1.179 35.368 1.00 40.09 ? 385 GLY B N 1 +ATOM 5738 C CA . GLY B 1 385 ? 19.216 -1.160 34.811 1.00 41.22 ? 385 GLY B CA 1 +ATOM 5739 C C . GLY B 1 385 ? 19.227 -1.680 33.373 1.00 38.61 ? 385 GLY B C 1 +ATOM 5740 O O . GLY B 1 385 ? 18.493 -2.574 32.965 1.00 37.76 ? 385 GLY B O 1 +ATOM 5741 N N . THR B 1 386 ? 20.072 -1.092 32.568 1.00 42.77 ? 386 THR B N 1 +ATOM 5742 C CA . THR B 1 386 ? 20.178 -1.462 31.179 1.00 38.29 ? 386 THR B CA 1 +ATOM 5743 C C . THR B 1 386 ? 20.012 -2.932 30.819 1.00 50.43 ? 386 THR B C 1 +ATOM 5744 O O . THR B 1 386 ? 19.461 -3.213 29.731 1.00 36.37 ? 386 THR B O 1 +ATOM 5745 C CB . THR B 1 386 ? 21.445 -0.911 30.552 1.00 35.67 ? 386 THR B CB 1 +ATOM 5746 O OG1 . THR B 1 386 ? 21.290 0.493 30.476 1.00 53.87 ? 386 THR B OG1 1 +ATOM 5747 C CG2 . THR B 1 386 ? 21.565 -1.484 29.150 1.00 36.37 ? 386 THR B CG2 1 +ATOM 5748 N N . PHE B 1 387 ? 20.505 -3.843 31.686 1.00 52.28 ? 387 PHE B N 1 +ATOM 5749 C CA . PHE B 1 387 ? 20.435 -5.308 31.478 1.00 41.61 ? 387 PHE B CA 1 +ATOM 5750 C C . PHE B 1 387 ? 19.730 -6.063 32.559 1.00 66.52 ? 387 PHE B C 1 +ATOM 5751 O O . PHE B 1 387 ? 19.902 -7.282 32.685 1.00 62.21 ? 387 PHE B O 1 +ATOM 5752 C CB . PHE B 1 387 ? 21.797 -5.975 31.343 1.00 37.83 ? 387 PHE B CB 1 +ATOM 5753 C CG . PHE B 1 387 ? 22.451 -5.382 30.150 1.00 44.29 ? 387 PHE B CG 1 +ATOM 5754 C CD1 . PHE B 1 387 ? 23.595 -4.591 30.244 1.00 35.39 ? 387 PHE B CD1 1 +ATOM 5755 C CD2 . PHE B 1 387 ? 21.858 -5.559 28.904 1.00 45.98 ? 387 PHE B CD2 1 +ATOM 5756 C CE1 . PHE B 1 387 ? 24.147 -4.059 29.076 1.00 36.94 ? 387 PHE B CE1 1 +ATOM 5757 C CE2 . PHE B 1 387 ? 22.383 -5.018 27.733 1.00 39.94 ? 387 PHE B CE2 1 +ATOM 5758 C CZ . PHE B 1 387 ? 23.548 -4.259 27.830 1.00 32.23 ? 387 PHE B CZ 1 +ATOM 5759 N N . GLU B 1 388 ? 18.992 -5.324 33.355 1.00 75.10 ? 388 GLU B N 1 +ATOM 5760 C CA . GLU B 1 388 ? 18.257 -5.971 34.392 1.00 78.29 ? 388 GLU B CA 1 +ATOM 5761 C C . GLU B 1 388 ? 17.230 -6.820 33.702 1.00 84.83 ? 388 GLU B C 1 +ATOM 5762 O O . GLU B 1 388 ? 16.653 -6.410 32.680 1.00 72.83 ? 388 GLU B O 1 +ATOM 5763 C CB . GLU B 1 388 ? 17.574 -4.955 35.290 1.00 79.84 ? 388 GLU B CB 1 +ATOM 5764 C CG . GLU B 1 388 ? 18.480 -4.568 36.444 1.00 31.45 ? 388 GLU B CG 1 +ATOM 5765 C CD . GLU B 1 388 ? 17.624 -3.932 37.468 1.00 44.67 ? 388 GLU B CD 1 +ATOM 5766 O OE1 . GLU B 1 388 ? 17.593 -2.728 37.598 1.00 59.44 ? 388 GLU B OE1 1 +ATOM 5767 O OE2 . GLU B 1 388 ? 16.844 -4.793 38.094 1.00 31.55 ? 388 GLU B OE2 1 +ATOM 5768 N N . THR B 1 389 ? 17.052 -8.004 34.264 1.00 92.03 ? 389 THR B N 1 +ATOM 5769 C CA . THR B 1 389 ? 16.102 -8.949 33.721 1.00 100.00 ? 389 THR B CA 1 +ATOM 5770 C C . THR B 1 389 ? 15.235 -9.554 34.855 1.00 100.00 ? 389 THR B C 1 +ATOM 5771 O O . THR B 1 389 ? 14.498 -8.864 35.505 1.00 100.00 ? 389 THR B O 1 +ATOM 5772 C CB . THR B 1 389 ? 16.791 -10.044 32.863 1.00 100.00 ? 389 THR B CB 1 +ATOM 5773 O OG1 . THR B 1 389 ? 18.068 -10.402 33.417 1.00 100.00 ? 389 THR B OG1 1 +ATOM 5774 C CG2 . THR B 1 389 ? 16.888 -9.559 31.402 1.00 100.00 ? 389 THR B CG2 1 +HETATM 5775 ZN ZN . ZN C 2 . ? 48.328 26.055 21.377 1.00 51.61 ? 401 ZN A ZN 1 +HETATM 5776 ZN ZN . ZN D 2 . ? 49.928 24.626 18.243 1.00 52.44 ? 402 ZN A ZN 1 +HETATM 5777 N N . ASP E 3 . ? 53.298 28.211 21.633 1.00 51.03 ? 450 ASP A N 1 +HETATM 5778 C CA . ASP E 3 . ? 52.348 27.428 22.148 1.00 34.29 ? 450 ASP A CA 1 +HETATM 5779 C C . ASP E 3 . ? 52.708 26.964 23.532 1.00 40.08 ? 450 ASP A C 1 +HETATM 5780 O O . ASP E 3 . ? 53.341 25.877 23.684 1.00 33.52 ? 450 ASP A O 1 +HETATM 5781 C CB . ASP E 3 . ? 52.315 26.066 21.446 1.00 40.89 ? 450 ASP A CB 1 +HETATM 5782 C CG . ASP E 3 . ? 51.203 26.035 20.473 1.00 36.77 ? 450 ASP A CG 1 +HETATM 5783 O OD1 . ASP E 3 . ? 50.612 27.125 20.165 1.00 87.06 ? 450 ASP A OD1 1 +HETATM 5784 O OD2 . ASP E 3 . ? 50.843 24.782 20.288 1.00 70.75 ? 450 ASP A OD2 1 +HETATM 5785 O OXT . ASP E 3 . ? 52.349 27.660 24.528 1.00 27.90 ? 450 ASP A OXT 1 +HETATM 5786 ZN ZN . ZN F 2 . ? 31.687 -4.906 53.074 1.00 46.47 ? 501 ZN B ZN 1 +HETATM 5787 ZN ZN . ZN G 2 . ? 33.814 -5.392 56.056 1.00 45.21 ? 502 ZN B ZN 1 +HETATM 5788 N N . ASP H 3 . ? 32.597 -10.346 52.863 1.00 51.08 ? 550 ASP B N 1 +HETATM 5789 C CA . ASP H 3 . ? 32.690 -9.137 52.265 1.00 100.00 ? 550 ASP B CA 1 +HETATM 5790 C C . ASP H 3 . ? 33.122 -9.192 50.808 1.00 43.30 ? 550 ASP B C 1 +HETATM 5791 O O . ASP H 3 . ? 34.331 -8.985 50.529 1.00 54.74 ? 550 ASP B O 1 +HETATM 5792 C CB . ASP H 3 . ? 33.782 -8.260 52.902 1.00 40.58 ? 550 ASP B CB 1 +HETATM 5793 C CG . ASP H 3 . ? 33.178 -7.533 54.042 1.00 47.33 ? 550 ASP B CG 1 +HETATM 5794 O OD1 . ASP H 3 . ? 33.836 -6.934 54.835 1.00 38.38 ? 550 ASP B OD1 1 +HETATM 5795 O OD2 . ASP H 3 . ? 31.875 -7.625 54.082 1.00 51.78 ? 550 ASP B OD2 1 +HETATM 5796 O OXT . ASP H 3 . ? 32.267 -9.438 49.922 1.00 30.33 ? 550 ASP B OXT 1 +HETATM 5797 O O . HOH I 4 . ? 27.328 27.368 24.183 1.00 18.48 ? 391 HOH A O 1 +HETATM 5798 O O . HOH I 4 . ? 52.343 22.046 35.702 1.00 15.89 ? 392 HOH A O 1 +HETATM 5799 O O . HOH I 4 . ? 41.199 9.892 18.008 1.00 13.74 ? 393 HOH A O 1 +HETATM 5800 O O . HOH I 4 . ? 29.276 27.282 30.953 1.00 19.45 ? 394 HOH A O 1 +HETATM 5801 O O . HOH I 4 . ? 47.249 18.709 26.069 1.00 21.21 ? 395 HOH A O 1 +HETATM 5802 O O . HOH I 4 . ? 36.709 26.506 19.369 1.00 26.05 ? 396 HOH A O 1 +HETATM 5803 O O . HOH I 4 . ? 32.191 1.867 29.162 1.00 22.18 ? 397 HOH A O 1 +HETATM 5804 O O . HOH I 4 . ? 27.076 23.360 7.781 1.00 36.77 ? 398 HOH A O 1 +HETATM 5805 O O . HOH I 4 . ? 55.738 26.460 29.645 1.00 20.00 ? 399 HOH A O 1 +HETATM 5806 O O . HOH I 4 . ? 35.917 9.381 32.282 1.00 25.26 ? 400 HOH A O 1 +HETATM 5807 O O . HOH I 4 . ? 58.685 30.876 34.482 1.00 25.00 ? 403 HOH A O 1 +HETATM 5808 O O . HOH I 4 . ? 52.188 8.873 29.861 1.00 44.54 ? 404 HOH A O 1 +HETATM 5809 O O . HOH I 4 . ? 50.764 13.766 23.214 1.00 26.81 ? 405 HOH A O 1 +HETATM 5810 O O . HOH I 4 . ? 27.448 24.339 12.559 1.00 30.66 ? 406 HOH A O 1 +HETATM 5811 O O . HOH I 4 . ? 62.217 18.718 16.536 1.00 27.36 ? 407 HOH A O 1 +HETATM 5812 O O . HOH I 4 . ? 53.122 14.577 25.892 1.00 28.03 ? 408 HOH A O 1 +HETATM 5813 O O . HOH I 4 . ? 36.331 37.325 21.790 1.00 27.20 ? 409 HOH A O 1 +HETATM 5814 O O . HOH I 4 . ? 60.254 25.366 30.575 1.00 24.60 ? 410 HOH A O 1 +HETATM 5815 O O . HOH I 4 . ? 14.850 37.481 24.766 1.00 36.79 ? 411 HOH A O 1 +HETATM 5816 O O . HOH I 4 . ? 55.446 15.510 18.775 1.00 23.18 ? 412 HOH A O 1 +HETATM 5817 O O . HOH I 4 . ? 52.467 29.954 34.332 1.00 31.11 ? 413 HOH A O 1 +HETATM 5818 O O . HOH I 4 . ? 41.677 17.442 40.302 1.00 24.23 ? 414 HOH A O 1 +HETATM 5819 O O . HOH I 4 . ? 41.867 38.521 25.993 1.00 34.93 ? 415 HOH A O 1 +HETATM 5820 O O . HOH I 4 . ? 55.371 18.629 24.592 1.00 31.03 ? 416 HOH A O 1 +HETATM 5821 O O . HOH I 4 . ? 41.850 -1.974 24.013 1.00 27.84 ? 417 HOH A O 1 +HETATM 5822 O O . HOH I 4 . ? 27.702 29.427 36.451 1.00 30.88 ? 418 HOH A O 1 +HETATM 5823 O O . HOH I 4 . ? 35.627 16.860 37.554 1.00 24.81 ? 419 HOH A O 1 +HETATM 5824 O O . HOH I 4 . ? 58.515 10.366 18.779 1.00 23.28 ? 420 HOH A O 1 +HETATM 5825 O O . HOH I 4 . ? 57.947 17.814 21.206 1.00 27.49 ? 421 HOH A O 1 +HETATM 5826 O O . HOH I 4 . ? 49.601 31.786 38.220 1.00 45.73 ? 422 HOH A O 1 +HETATM 5827 O O . HOH I 4 . ? 48.156 1.724 26.653 1.00 55.43 ? 423 HOH A O 1 +HETATM 5828 O O . HOH I 4 . ? 48.303 2.728 32.960 1.00 41.29 ? 424 HOH A O 1 +HETATM 5829 O O . HOH I 4 . ? 49.326 4.966 25.886 1.00 46.16 ? 425 HOH A O 1 +HETATM 5830 O O . HOH I 4 . ? 61.272 17.321 14.354 1.00 21.77 ? 426 HOH A O 1 +HETATM 5831 O O . HOH I 4 . ? 30.859 5.876 24.699 1.00 36.78 ? 427 HOH A O 1 +HETATM 5832 O O . HOH I 4 . ? 9.930 26.269 24.495 1.00 32.74 ? 428 HOH A O 1 +HETATM 5833 O O . HOH I 4 . ? 52.061 8.587 34.472 1.00 61.23 ? 429 HOH A O 1 +HETATM 5834 O O . HOH I 4 . ? 37.897 24.880 44.859 1.00 29.40 ? 430 HOH A O 1 +HETATM 5835 O O . HOH I 4 . ? 13.516 28.613 46.745 1.00 37.40 ? 431 HOH A O 1 +HETATM 5836 O O . HOH I 4 . ? 42.963 1.113 21.307 1.00 30.85 ? 432 HOH A O 1 +HETATM 5837 O O . HOH I 4 . ? 37.839 15.489 11.363 1.00 33.21 ? 433 HOH A O 1 +HETATM 5838 O O . HOH I 4 . ? 24.360 27.401 25.059 1.00 41.65 ? 434 HOH A O 1 +HETATM 5839 O O . HOH I 4 . ? 48.104 28.920 40.533 1.00 51.55 ? 435 HOH A O 1 +HETATM 5840 O O . HOH I 4 . ? 20.337 39.169 34.599 1.00 46.39 ? 436 HOH A O 1 +HETATM 5841 O O . HOH I 4 . ? 42.224 22.855 18.438 1.00 30.81 ? 437 HOH A O 1 +HETATM 5842 O O . HOH I 4 . ? 29.890 20.317 13.738 1.00 48.27 ? 438 HOH A O 1 +HETATM 5843 O O . HOH I 4 . ? 36.305 21.562 45.213 1.00 45.62 ? 439 HOH A O 1 +HETATM 5844 O O . HOH I 4 . ? 15.255 43.431 20.237 1.00 40.52 ? 440 HOH A O 1 +HETATM 5845 O O . HOH I 4 . ? 10.401 27.237 49.694 1.00 35.48 ? 441 HOH A O 1 +HETATM 5846 O O . HOH I 4 . ? 32.686 36.809 34.772 1.00 31.69 ? 442 HOH A O 1 +HETATM 5847 O O . HOH I 4 . ? 54.002 26.601 37.038 1.00 20.09 ? 443 HOH A O 1 +HETATM 5848 O O . HOH I 4 . ? 22.121 43.020 14.347 1.00 54.29 ? 444 HOH A O 1 +HETATM 5849 O O . HOH I 4 . ? 40.645 29.790 37.622 1.00 26.92 ? 445 HOH A O 1 +HETATM 5850 O O . HOH I 4 . ? 15.009 29.394 12.341 1.00 74.33 ? 446 HOH A O 1 +HETATM 5851 O O . HOH I 4 . ? 44.758 17.409 39.632 1.00 25.23 ? 447 HOH A O 1 +HETATM 5852 O O . HOH I 4 . ? 58.401 23.947 11.291 1.00 42.13 ? 448 HOH A O 1 +HETATM 5853 O O . HOH I 4 . ? 20.867 37.857 10.078 1.00 73.90 ? 449 HOH A O 1 +HETATM 5854 O O . HOH I 4 . ? 6.662 36.052 38.198 1.00 57.91 ? 451 HOH A O 1 +HETATM 5855 O O . HOH I 4 . ? 32.682 43.381 22.970 1.00 42.42 ? 452 HOH A O 1 +HETATM 5856 O O . HOH I 4 . ? 22.394 19.879 29.174 1.00 60.72 ? 453 HOH A O 1 +HETATM 5857 O O . HOH I 4 . ? 56.353 25.206 12.479 1.00 44.56 ? 454 HOH A O 1 +HETATM 5858 O O . HOH I 4 . ? 51.408 11.741 35.609 1.00 43.70 ? 455 HOH A O 1 +HETATM 5859 O O . HOH I 4 . ? 26.218 40.204 6.570 1.00 46.72 ? 456 HOH A O 1 +HETATM 5860 O O . HOH I 4 . ? 34.880 19.135 37.172 1.00 38.44 ? 457 HOH A O 1 +HETATM 5861 O O . HOH I 4 . ? 46.761 27.113 37.503 1.00 35.24 ? 458 HOH A O 1 +HETATM 5862 O O . HOH I 4 . ? 29.372 26.748 39.405 1.00 59.88 ? 459 HOH A O 1 +HETATM 5863 O O . HOH I 4 . ? 33.140 42.937 27.645 1.00 57.93 ? 460 HOH A O 1 +HETATM 5864 O O . HOH I 4 . ? 36.716 41.881 20.285 1.00 63.96 ? 461 HOH A O 1 +HETATM 5865 O O . HOH I 4 . ? 55.883 14.881 11.620 1.00 30.48 ? 462 HOH A O 1 +HETATM 5866 O O . HOH I 4 . ? 3.637 33.091 47.940 1.00 36.01 ? 463 HOH A O 1 +HETATM 5867 O O . HOH I 4 . ? 17.740 19.352 25.248 1.00 66.00 ? 464 HOH A O 1 +HETATM 5868 O O . HOH I 4 . ? 54.126 16.863 31.458 1.00 47.46 ? 465 HOH A O 1 +HETATM 5869 O O . HOH I 4 . ? 46.380 34.712 34.576 1.00 50.05 ? 466 HOH A O 1 +HETATM 5870 O O . HOH I 4 . ? 49.555 8.142 37.725 1.00 63.09 ? 467 HOH A O 1 +HETATM 5871 O O . HOH I 4 . ? 50.964 8.223 22.898 1.00 55.66 ? 468 HOH A O 1 +HETATM 5872 O O . HOH I 4 . ? 55.088 29.274 37.540 1.00 43.51 ? 469 HOH A O 1 +HETATM 5873 O O . HOH I 4 . ? 58.302 16.800 33.395 1.00 64.35 ? 470 HOH A O 1 +HETATM 5874 O O . HOH I 4 . ? 11.804 41.095 37.958 1.00 61.00 ? 471 HOH A O 1 +HETATM 5875 O O . HOH I 4 . ? 29.078 27.126 26.352 1.00 25.47 ? 472 HOH A O 1 +HETATM 5876 O O . HOH I 4 . ? 43.876 27.301 17.699 1.00 26.73 ? 473 HOH A O 1 +HETATM 5877 O O . HOH I 4 . ? 47.690 25.038 29.525 1.00 10.65 ? 474 HOH A O 1 +HETATM 5878 O O . HOH I 4 . ? 50.430 24.969 27.624 1.00 18.53 ? 475 HOH A O 1 +HETATM 5879 O O . HOH I 4 . ? 53.084 23.607 27.439 1.00 18.12 ? 476 HOH A O 1 +HETATM 5880 O O . HOH I 4 . ? 54.467 25.341 26.065 1.00 20.61 ? 477 HOH A O 1 +HETATM 5881 O O . HOH I 4 . ? 64.042 32.819 29.241 1.00 23.71 ? 478 HOH A O 1 +HETATM 5882 O O . HOH I 4 . ? 44.923 35.528 32.063 1.00 50.94 ? 479 HOH A O 1 +HETATM 5883 O O . HOH I 4 . ? 40.331 32.571 37.826 1.00 39.98 ? 480 HOH A O 1 +HETATM 5884 O O . HOH I 4 . ? 36.702 40.346 22.695 1.00 45.75 ? 481 HOH A O 1 +HETATM 5885 O O . HOH I 4 . ? 58.295 19.306 26.581 1.00 21.22 ? 482 HOH A O 1 +HETATM 5886 O O . HOH I 4 . ? 35.051 21.138 39.839 1.00 39.83 ? 483 HOH A O 1 +HETATM 5887 O O . HOH I 4 . ? 27.993 21.731 32.230 1.00 51.24 ? 484 HOH A O 1 +HETATM 5888 O O . HOH I 4 . ? 55.246 8.950 27.072 1.00 64.21 ? 485 HOH A O 1 +HETATM 5889 O O . HOH I 4 . ? 60.162 21.400 5.385 1.00 46.41 ? 486 HOH A O 1 +HETATM 5890 O O . HOH I 4 . ? 52.935 -0.004 21.644 1.00 55.74 ? 487 HOH A O 1 +HETATM 5891 O O . HOH I 4 . ? 35.776 7.379 20.368 1.00 32.76 ? 488 HOH A O 1 +HETATM 5892 O O . HOH I 4 . ? 36.999 3.342 10.124 1.00 49.90 ? 489 HOH A O 1 +HETATM 5893 O O . HOH I 4 . ? 34.900 9.483 10.019 1.00 51.20 ? 490 HOH A O 1 +HETATM 5894 O O . HOH I 4 . ? 52.345 30.686 3.308 1.00 39.09 ? 491 HOH A O 1 +HETATM 5895 O O . HOH I 4 . ? 60.541 39.129 21.298 1.00 69.59 ? 492 HOH A O 1 +HETATM 5896 O O . HOH I 4 . ? 45.623 38.158 20.524 1.00 45.96 ? 493 HOH A O 1 +HETATM 5897 O O . HOH I 4 . ? 44.503 37.659 45.701 1.00 63.52 ? 494 HOH A O 1 +HETATM 5898 O O . HOH I 4 . ? 52.434 28.042 17.590 1.00 55.65 ? 495 HOH A O 1 +HETATM 5899 O O . HOH I 4 . ? 3.020 31.164 46.223 1.00 42.83 ? 496 HOH A O 1 +HETATM 5900 O O . HOH I 4 . ? 8.651 29.188 51.890 1.00 53.86 ? 497 HOH A O 1 +HETATM 5901 O O . HOH I 4 . ? 13.388 31.699 40.900 1.00 47.16 ? 498 HOH A O 1 +HETATM 5902 O O . HOH I 4 . ? 10.659 43.155 29.279 1.00 41.46 ? 499 HOH A O 1 +HETATM 5903 O O . HOH I 4 . ? 15.943 42.557 35.548 1.00 72.70 ? 500 HOH A O 1 +HETATM 5904 O O . HOH I 4 . ? 17.258 46.614 26.256 1.00 43.60 ? 501 HOH A O 1 +HETATM 5905 O O . HOH I 4 . ? 18.911 47.329 22.635 1.00 62.97 ? 502 HOH A O 1 +HETATM 5906 O O . HOH I 4 . ? 49.456 28.091 36.182 1.00 38.42 ? 503 HOH A O 1 +HETATM 5907 O O . HOH I 4 . ? 64.678 30.204 21.786 1.00 41.12 ? 504 HOH A O 1 +HETATM 5908 O O . HOH I 4 . ? 65.994 29.343 19.036 1.00 54.58 ? 505 HOH A O 1 +HETATM 5909 O O . HOH I 4 . ? 66.526 31.678 25.894 1.00 45.15 ? 506 HOH A O 1 +HETATM 5910 O O . HOH I 4 . ? 66.033 34.824 25.735 1.00 70.84 ? 507 HOH A O 1 +HETATM 5911 O O . HOH I 4 . ? 38.973 38.925 27.350 1.00 48.66 ? 508 HOH A O 1 +HETATM 5912 O O . HOH I 4 . ? 57.588 12.605 12.553 1.00 52.34 ? 509 HOH A O 1 +HETATM 5913 O O . HOH I 4 . ? 31.440 14.955 25.511 1.00 38.82 ? 510 HOH A O 1 +HETATM 5914 O O . HOH I 4 . ? 37.192 7.821 7.809 1.00 56.08 ? 511 HOH A O 1 +HETATM 5915 O O . HOH I 4 . ? 39.703 16.903 -1.702 1.00 62.62 ? 512 HOH A O 1 +HETATM 5916 O O . HOH I 4 . ? 42.964 23.229 -2.055 1.00 43.50 ? 513 HOH A O 1 +HETATM 5917 O O . HOH I 4 . ? 40.037 23.213 -2.530 1.00 69.14 ? 514 HOH A O 1 +HETATM 5918 O O . HOH I 4 . ? 29.816 25.864 2.248 1.00 64.03 ? 515 HOH A O 1 +HETATM 5919 O O . HOH I 4 . ? 27.862 23.586 1.522 1.00 41.48 ? 516 HOH A O 1 +HETATM 5920 O O . HOH I 4 . ? 63.058 37.218 21.967 1.00 43.75 ? 517 HOH A O 1 +HETATM 5921 O O . HOH I 4 . ? 36.864 23.407 -4.283 1.00 75.93 ? 518 HOH A O 1 +HETATM 5922 O O . HOH I 4 . ? 31.142 17.366 12.978 1.00 52.50 ? 519 HOH A O 1 +HETATM 5923 O O . HOH I 4 . ? 30.867 46.457 14.819 1.00 57.05 ? 520 HOH A O 1 +HETATM 5924 O O . HOH I 4 . ? 24.578 45.295 29.574 1.00 70.63 ? 521 HOH A O 1 +HETATM 5925 O O . HOH I 4 . ? 66.692 27.255 17.203 1.00 58.98 ? 522 HOH A O 1 +HETATM 5926 O O . HOH J 4 . ? 37.724 11.888 37.268 1.00 20.32 ? 391 HOH B O 1 +HETATM 5927 O O . HOH J 4 . ? 34.784 9.707 62.812 1.00 23.44 ? 392 HOH B O 1 +HETATM 5928 O O . HOH J 4 . ? 34.471 -9.757 37.137 1.00 20.63 ? 393 HOH B O 1 +HETATM 5929 O O . HOH J 4 . ? 15.384 -0.937 52.683 1.00 24.50 ? 394 HOH B O 1 +HETATM 5930 O O . HOH J 4 . ? 18.079 16.048 48.825 1.00 33.25 ? 395 HOH B O 1 +HETATM 5931 O O . HOH J 4 . ? 35.393 -11.542 44.825 1.00 19.98 ? 396 HOH B O 1 +HETATM 5932 O O . HOH J 4 . ? 43.287 -0.360 51.066 1.00 23.14 ? 397 HOH B O 1 +HETATM 5933 O O . HOH J 4 . ? 49.432 5.708 48.512 1.00 25.32 ? 398 HOH B O 1 +HETATM 5934 O O . HOH J 4 . ? 37.221 -6.149 38.704 1.00 17.76 ? 399 HOH B O 1 +HETATM 5935 O O . HOH J 4 . ? 43.779 -2.648 48.396 1.00 19.96 ? 400 HOH B O 1 +HETATM 5936 O O . HOH J 4 . ? 44.463 -5.205 56.128 1.00 29.23 ? 401 HOH B O 1 +HETATM 5937 O O . HOH J 4 . ? 41.321 9.836 56.314 1.00 13.80 ? 402 HOH B O 1 +HETATM 5938 O O . HOH J 4 . ? 38.591 14.352 42.031 1.00 9.53 ? 403 HOH B O 1 +HETATM 5939 O O . HOH J 4 . ? 49.948 16.939 47.692 1.00 17.04 ? 404 HOH B O 1 +HETATM 5940 O O . HOH J 4 . ? 12.350 17.574 37.806 1.00 31.56 ? 405 HOH B O 1 +HETATM 5941 O O . HOH J 4 . ? 32.195 -4.298 44.918 1.00 20.78 ? 406 HOH B O 1 +HETATM 5942 O O . HOH J 4 . ? 37.126 0.033 47.993 1.00 19.13 ? 407 HOH B O 1 +HETATM 5943 O O . HOH J 4 . ? 24.879 4.600 54.974 1.00 22.47 ? 408 HOH B O 1 +HETATM 5944 O O . HOH J 4 . ? 45.996 -10.789 59.970 1.00 26.06 ? 409 HOH B O 1 +HETATM 5945 O O . HOH J 4 . ? 30.914 1.622 56.139 1.00 24.94 ? 410 HOH B O 1 +HETATM 5946 O O . HOH J 4 . ? 42.074 -6.702 49.660 1.00 28.12 ? 411 HOH B O 1 +HETATM 5947 O O . HOH J 4 . ? 40.418 15.799 54.223 1.00 19.50 ? 412 HOH B O 1 +HETATM 5948 O O . HOH J 4 . ? 34.796 -7.483 38.810 1.00 26.71 ? 413 HOH B O 1 +HETATM 5949 O O . HOH J 4 . ? 21.732 13.651 61.258 1.00 31.56 ? 414 HOH B O 1 +HETATM 5950 O O . HOH J 4 . ? 17.348 -4.133 64.154 1.00 42.15 ? 415 HOH B O 1 +HETATM 5951 O O . HOH J 4 . ? 17.473 10.244 38.051 1.00 35.23 ? 416 HOH B O 1 +HETATM 5952 O O . HOH J 4 . ? 32.644 10.495 36.565 1.00 23.45 ? 417 HOH B O 1 +HETATM 5953 O O . HOH J 4 . ? 49.737 13.094 52.900 1.00 17.34 ? 418 HOH B O 1 +HETATM 5954 O O . HOH J 4 . ? 49.141 5.020 51.489 1.00 34.32 ? 419 HOH B O 1 +HETATM 5955 O O . HOH J 4 . ? 31.450 3.843 54.121 1.00 25.48 ? 420 HOH B O 1 +HETATM 5956 O O . HOH J 4 . ? 44.795 -5.031 62.699 1.00 39.94 ? 421 HOH B O 1 +HETATM 5957 O O . HOH J 4 . ? 37.935 -11.871 62.510 1.00 39.20 ? 422 HOH B O 1 +HETATM 5958 O O . HOH J 4 . ? 28.568 -2.054 56.953 1.00 26.00 ? 423 HOH B O 1 +HETATM 5959 O O . HOH J 4 . ? 45.150 -12.477 57.525 1.00 34.44 ? 424 HOH B O 1 +HETATM 5960 O O . HOH J 4 . ? 51.063 15.688 50.492 1.00 21.46 ? 425 HOH B O 1 +HETATM 5961 O O . HOH J 4 . ? 44.078 -8.507 53.139 1.00 29.04 ? 426 HOH B O 1 +HETATM 5962 O O . HOH J 4 . ? 45.135 -6.805 42.650 1.00 39.28 ? 427 HOH B O 1 +HETATM 5963 O O . HOH J 4 . ? 17.137 13.635 49.714 1.00 22.02 ? 428 HOH B O 1 +HETATM 5964 O O . HOH J 4 . ? 42.782 -4.700 42.852 1.00 44.10 ? 429 HOH B O 1 +HETATM 5965 O O . HOH J 4 . ? 36.776 -6.863 67.255 1.00 25.45 ? 430 HOH B O 1 +HETATM 5966 O O . HOH J 4 . ? 45.424 12.677 66.288 1.00 57.71 ? 431 HOH B O 1 +HETATM 5967 O O . HOH J 4 . ? 30.166 -10.640 71.349 1.00 38.65 ? 432 HOH B O 1 +HETATM 5968 O O . HOH J 4 . ? 26.472 15.387 46.113 1.00 51.79 ? 433 HOH B O 1 +HETATM 5969 O O . HOH J 4 . ? 20.103 10.030 43.322 1.00 27.96 ? 434 HOH B O 1 +HETATM 5970 O O . HOH J 4 . ? 37.808 17.733 52.412 1.00 46.13 ? 435 HOH B O 1 +HETATM 5971 O O . HOH J 4 . ? 36.667 2.632 34.644 1.00 32.01 ? 436 HOH B O 1 +HETATM 5972 O O . HOH J 4 . ? 18.801 11.704 50.496 1.00 30.30 ? 437 HOH B O 1 +HETATM 5973 O O . HOH J 4 . ? 34.111 14.150 58.495 1.00 47.29 ? 438 HOH B O 1 +HETATM 5974 O O . HOH J 4 . ? 38.602 -14.512 43.861 1.00 31.18 ? 439 HOH B O 1 +HETATM 5975 O O . HOH J 4 . ? 51.712 14.923 61.645 1.00 22.89 ? 440 HOH B O 1 +HETATM 5976 O O . HOH J 4 . ? 29.265 12.357 61.723 1.00 43.27 ? 441 HOH B O 1 +HETATM 5977 O O . HOH J 4 . ? 19.624 24.992 40.729 1.00 45.72 ? 442 HOH B O 1 +HETATM 5978 O O . HOH J 4 . ? 20.209 23.884 49.301 1.00 61.17 ? 443 HOH B O 1 +HETATM 5979 O O . HOH J 4 . ? 33.122 -16.200 39.641 1.00 28.51 ? 444 HOH B O 1 +HETATM 5980 O O . HOH J 4 . ? 15.999 -4.336 47.357 1.00 35.15 ? 445 HOH B O 1 +HETATM 5981 O O . HOH J 4 . ? 15.872 -10.449 57.830 1.00 69.17 ? 446 HOH B O 1 +HETATM 5982 O O . HOH J 4 . ? 11.135 17.196 63.878 1.00 44.94 ? 447 HOH B O 1 +HETATM 5983 O O . HOH J 4 . ? 22.027 11.149 72.373 1.00 51.27 ? 448 HOH B O 1 +HETATM 5984 O O . HOH J 4 . ? 17.811 1.832 31.961 1.00 70.46 ? 449 HOH B O 1 +HETATM 5985 O O . HOH J 4 . ? 7.750 20.988 32.761 1.00 42.68 ? 450 HOH B O 1 +HETATM 5986 O O . HOH J 4 . ? 26.555 12.654 41.945 1.00 54.84 ? 451 HOH B O 1 +HETATM 5987 O O . HOH J 4 . ? 10.243 20.448 62.376 1.00 55.50 ? 452 HOH B O 1 +HETATM 5988 O O . HOH J 4 . ? 34.784 4.857 33.934 1.00 41.86 ? 453 HOH B O 1 +HETATM 5989 O O . HOH J 4 . ? 50.138 2.175 53.524 1.00 49.68 ? 454 HOH B O 1 +HETATM 5990 O O . HOH J 4 . ? 6.108 17.510 34.565 1.00 48.92 ? 455 HOH B O 1 +HETATM 5991 O O . HOH J 4 . ? 53.400 7.699 61.723 1.00 42.99 ? 456 HOH B O 1 +HETATM 5992 O O . HOH J 4 . ? 22.928 16.714 56.027 1.00 60.82 ? 457 HOH B O 1 +HETATM 5993 O O . HOH J 4 . ? 48.290 -5.812 62.215 1.00 35.80 ? 458 HOH B O 1 +HETATM 5994 O O . HOH J 4 . ? 48.042 2.174 51.596 1.00 44.74 ? 459 HOH B O 1 +HETATM 5995 O O . HOH J 4 . ? 51.917 -1.750 64.698 1.00 47.73 ? 460 HOH B O 1 +HETATM 5996 O O . HOH J 4 . ? 19.406 0.612 78.523 1.00 79.63 ? 461 HOH B O 1 +HETATM 5997 O O . HOH J 4 . ? 38.326 20.608 50.094 1.00 37.18 ? 462 HOH B O 1 +HETATM 5998 O O . HOH J 4 . ? 41.186 -3.062 72.503 1.00 40.42 ? 463 HOH B O 1 +HETATM 5999 O O . HOH J 4 . ? 20.543 -9.131 54.753 1.00 54.56 ? 464 HOH B O 1 +HETATM 6000 O O . HOH J 4 . ? 32.845 12.336 63.505 1.00 39.35 ? 465 HOH B O 1 +HETATM 6001 O O . HOH J 4 . ? 3.627 16.679 49.855 1.00 20.44 ? 466 HOH B O 1 +HETATM 6002 O O . HOH J 4 . ? -1.157 22.228 55.400 1.00 79.66 ? 467 HOH B O 1 +HETATM 6003 O O . HOH J 4 . ? 4.927 24.517 55.710 1.00 72.50 ? 468 HOH B O 1 +HETATM 6004 O O . HOH J 4 . ? -1.522 16.969 36.909 1.00 58.29 ? 469 HOH B O 1 +HETATM 6005 O O . HOH J 4 . ? 19.875 10.517 47.688 1.00 23.88 ? 470 HOH B O 1 +HETATM 6006 O O . HOH J 4 . ? 33.671 -6.220 46.416 1.00 17.77 ? 471 HOH B O 1 +HETATM 6007 O O . HOH J 4 . ? 34.701 -7.284 35.444 1.00 18.10 ? 472 HOH B O 1 +HETATM 6008 O O . HOH J 4 . ? 36.252 -7.419 47.152 1.00 19.28 ? 473 HOH B O 1 +HETATM 6009 O O . HOH J 4 . ? 35.778 -9.692 48.215 1.00 22.27 ? 474 HOH B O 1 +HETATM 6010 O O . HOH J 4 . ? 37.744 -16.534 45.315 1.00 19.18 ? 475 HOH B O 1 +HETATM 6011 O O . HOH J 4 . ? 41.322 -14.661 42.161 1.00 30.05 ? 476 HOH B O 1 +HETATM 6012 O O . HOH J 4 . ? 21.750 -1.978 36.841 1.00 38.57 ? 477 HOH B O 1 +HETATM 6013 O O . HOH J 4 . ? 44.696 -8.815 39.753 1.00 46.56 ? 478 HOH B O 1 +HETATM 6014 O O . HOH J 4 . ? 35.871 2.281 31.904 1.00 23.74 ? 479 HOH B O 1 +HETATM 6015 O O . HOH J 4 . ? 28.156 9.109 34.620 1.00 68.73 ? 480 HOH B O 1 +HETATM 6016 O O . HOH J 4 . ? 23.014 13.776 41.718 1.00 72.15 ? 481 HOH B O 1 +HETATM 6017 O O . HOH J 4 . ? 50.096 -4.520 55.319 1.00 27.57 ? 482 HOH B O 1 +HETATM 6018 O O . HOH J 4 . ? 51.916 8.326 47.204 1.00 40.95 ? 483 HOH B O 1 +HETATM 6019 O O . HOH J 4 . ? 41.602 -12.183 68.653 1.00 51.97 ? 484 HOH B O 1 +HETATM 6020 O O . HOH J 4 . ? 55.464 5.581 52.433 1.00 38.61 ? 485 HOH B O 1 +HETATM 6021 O O . HOH J 4 . ? 43.972 16.850 64.266 1.00 48.33 ? 486 HOH B O 1 +HETATM 6022 O O . HOH J 4 . ? 37.747 15.840 64.178 1.00 45.22 ? 487 HOH B O 1 +HETATM 6023 O O . HOH J 4 . ? 34.555 15.181 66.022 1.00 44.64 ? 488 HOH B O 1 +HETATM 6024 O O . HOH J 4 . ? 26.655 13.379 60.395 1.00 37.14 ? 489 HOH B O 1 +HETATM 6025 O O . HOH J 4 . ? 27.163 -22.141 53.513 1.00 67.06 ? 490 HOH B O 1 +HETATM 6026 O O . HOH J 4 . ? 18.781 -10.371 50.778 1.00 56.22 ? 491 HOH B O 1 +HETATM 6027 O O . HOH J 4 . ? 4.918 3.135 68.196 1.00 67.90 ? 492 HOH B O 1 +HETATM 6028 O O . HOH J 4 . ? 5.792 6.509 69.984 1.00 53.32 ? 493 HOH B O 1 +HETATM 6029 O O . HOH J 4 . ? 32.566 -9.560 56.853 1.00 40.78 ? 494 HOH B O 1 +HETATM 6030 O O . HOH J 4 . ? 36.621 16.000 41.201 1.00 42.44 ? 495 HOH B O 1 +HETATM 6031 O O . HOH J 4 . ? -0.596 12.330 55.623 1.00 34.11 ? 496 HOH B O 1 +HETATM 6032 O O . HOH J 4 . ? 0.394 21.519 51.731 1.00 39.86 ? 497 HOH B O 1 +HETATM 6033 O O . HOH J 4 . ? -3.421 15.265 40.024 1.00 62.23 ? 498 HOH B O 1 +HETATM 6034 O O . HOH J 4 . ? 29.649 10.088 36.952 1.00 35.98 ? 499 HOH B O 1 +HETATM 6035 O O . HOH J 4 . ? 17.910 4.660 33.642 1.00 57.39 ? 500 HOH B O 1 +HETATM 6036 O O . HOH J 4 . ? 44.556 7.934 70.842 1.00 59.53 ? 503 HOH B O 1 +HETATM 6037 O O . HOH J 4 . ? 40.880 14.367 66.266 1.00 52.13 ? 504 HOH B O 1 +HETATM 6038 O O . HOH J 4 . ? 31.286 -12.303 67.422 1.00 73.76 ? 505 HOH B O 1 +HETATM 6039 O O . HOH J 4 . ? 17.360 -6.115 48.262 1.00 38.62 ? 506 HOH B O 1 +HETATM 6040 O O . HOH J 4 . ? 32.483 -12.670 58.244 1.00 36.74 ? 507 HOH B O 1 +HETATM 6041 O O . HOH J 4 . ? 29.880 -9.453 56.977 1.00 58.75 ? 508 HOH B O 1 +HETATM 6042 O O . HOH J 4 . ? 30.856 -7.488 38.406 1.00 43.53 ? 509 HOH B O 1 +HETATM 6043 O O . HOH J 4 . ? 49.483 2.689 48.331 1.00 65.12 ? 510 HOH B O 1 +HETATM 6044 O O . HOH J 4 . ? 52.848 6.796 50.812 1.00 54.65 ? 511 HOH B O 1 +HETATM 6045 O O . HOH J 4 . ? 48.083 -0.094 42.558 1.00 78.79 ? 512 HOH B O 1 +HETATM 6046 O O . HOH J 4 . ? 51.483 4.829 46.974 1.00 48.59 ? 513 HOH B O 1 +HETATM 6047 O O . HOH J 4 . ? 54.597 3.450 47.083 1.00 53.12 ? 514 HOH B O 1 +HETATM 6048 O O . HOH J 4 . ? 52.095 0.644 46.816 1.00 67.13 ? 515 HOH B O 1 +HETATM 6049 O O . HOH J 4 . ? 37.897 18.588 42.568 1.00 48.35 ? 516 HOH B O 1 +HETATM 6050 O O . HOH J 4 . ? 10.714 25.958 53.569 1.00 71.52 ? 517 HOH B O 1 +HETATM 6051 O O . HOH J 4 . ? 31.380 14.596 49.183 1.00 70.79 ? 518 HOH B O 1 +HETATM 6052 O O . HOH J 4 . ? 14.944 16.546 67.941 1.00 48.53 ? 519 HOH B O 1 +HETATM 6053 O O . HOH J 4 . ? 17.664 14.573 67.542 1.00 52.14 ? 520 HOH B O 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 1 1 MET MET A . n +A 1 2 ILE 2 2 2 ILE ILE A . n +A 1 3 ASP 3 3 3 ASP ASP A . n +A 1 4 TYR 4 4 4 TYR TYR A . n +A 1 5 THR 5 5 5 THR THR A . n +A 1 6 ALA 6 6 6 ALA ALA A . n +A 1 7 ALA 7 7 7 ALA ALA A . n +A 1 8 GLY 8 8 8 GLY GLY A . n +A 1 9 PHE 9 9 9 PHE PHE A . n +A 1 10 THR 10 10 10 THR THR A . n +A 1 11 LEU 11 11 11 LEU LEU A . n +A 1 12 LEU 12 12 12 LEU LEU A . n +A 1 13 GLN 13 13 13 GLN GLN A . n +A 1 14 GLY 14 14 14 GLY GLY A . n +A 1 15 ALA 15 15 15 ALA ALA A . n +A 1 16 HIS 16 16 16 HIS HIS A . n +A 1 17 LEU 17 17 17 LEU LEU A . n +A 1 18 TYR 18 18 18 TYR TYR A . n +A 1 19 ALA 19 19 19 ALA ALA A . n +A 1 20 PRO 20 20 20 PRO PRO A . n +A 1 21 GLU 21 21 21 GLU GLU A . n +A 1 22 ASP 22 22 22 ASP ASP A . n +A 1 23 ARG 23 23 23 ARG ARG A . n +A 1 24 GLY 24 24 24 GLY GLY A . n +A 1 25 ILE 25 25 25 ILE ILE A . n +A 1 26 CYS 26 26 26 CYS CYS A . n +A 1 27 ASP 27 27 27 ASP ASP A . n +A 1 28 VAL 28 28 28 VAL VAL A . n +A 1 29 LEU 29 29 29 LEU LEU A . n +A 1 30 VAL 30 30 30 VAL VAL A . n +A 1 31 ALA 31 31 31 ALA ALA A . n +A 1 32 ASN 32 32 32 ASN ASN A . n +A 1 33 GLY 33 33 33 GLY GLY A . n +A 1 34 LYS 34 34 34 LYS LYS A . n +A 1 35 ILE 35 35 35 ILE ILE A . n +A 1 36 ILE 36 36 36 ILE ILE A . n +A 1 37 ALA 37 37 37 ALA ALA A . n +A 1 38 VAL 38 38 38 VAL VAL A . n +A 1 39 ALA 39 39 39 ALA ALA A . n +A 1 40 SER 40 40 40 SER SER A . n +A 1 41 ASN 41 41 41 ASN ASN A . n +A 1 42 ILE 42 42 42 ILE ILE A . n +A 1 43 PRO 43 43 43 PRO PRO A . n +A 1 44 SER 44 44 44 SER SER A . n +A 1 45 ASP 45 45 45 ASP ASP A . n +A 1 46 ILE 46 46 46 ILE ILE A . n +A 1 47 VAL 47 47 47 VAL VAL A . n +A 1 48 PRO 48 48 48 PRO PRO A . n +A 1 49 ASN 49 49 49 ASN ASN A . n +A 1 50 CYS 50 50 50 CYS CYS A . n +A 1 51 THR 51 51 51 THR THR A . n +A 1 52 VAL 52 52 52 VAL VAL A . n +A 1 53 VAL 53 53 53 VAL VAL A . n +A 1 54 ASP 54 54 54 ASP ASP A . n +A 1 55 LEU 55 55 55 LEU LEU A . n +A 1 56 SER 56 56 56 SER SER A . n +A 1 57 GLY 57 57 57 GLY GLY A . n +A 1 58 GLN 58 58 58 GLN GLN A . n +A 1 59 ILE 59 59 59 ILE ILE A . n +A 1 60 LEU 60 60 60 LEU LEU A . n +A 1 61 CYS 61 61 61 CYS CYS A . n +A 1 62 PRO 62 62 62 PRO PRO A . n +A 1 63 GLY 63 63 63 GLY GLY A . n +A 1 64 PHE 64 64 64 PHE PHE A . n +A 1 65 ILE 65 65 65 ILE ILE A . n +A 1 66 ASP 66 66 66 ASP ASP A . n +A 1 67 GLN 67 67 67 GLN GLN A . n +A 1 68 HIS 68 68 68 HIS HIS A . n +A 1 69 VAL 69 69 69 VAL VAL A . n +A 1 70 HIS 70 70 70 HIS HIS A . n +A 1 71 LEU 71 71 71 LEU LEU A . n +A 1 72 ILE 72 72 72 ILE ILE A . n +A 1 73 GLY 73 73 73 GLY GLY A . n +A 1 74 GLY 74 74 74 GLY GLY A . n +A 1 75 GLY 75 75 75 GLY GLY A . n +A 1 76 GLY 76 76 76 GLY GLY A . n +A 1 77 GLU 77 77 77 GLU GLU A . n +A 1 78 ALA 78 78 78 ALA ALA A . n +A 1 79 GLY 79 79 79 GLY GLY A . n +A 1 80 PRO 80 80 80 PRO PRO A . n +A 1 81 THR 81 81 81 THR THR A . n +A 1 82 THR 82 82 82 THR THR A . n +A 1 83 ARG 83 83 83 ARG ARG A . n +A 1 84 THR 84 84 84 THR THR A . n +A 1 85 PRO 85 85 85 PRO PRO A . n +A 1 86 GLU 86 86 86 GLU GLU A . n +A 1 87 VAL 87 87 87 VAL VAL A . n +A 1 88 ALA 88 88 88 ALA ALA A . n +A 1 89 LEU 89 89 89 LEU LEU A . n +A 1 90 SER 90 90 90 SER SER A . n +A 1 91 ARG 91 91 91 ARG ARG A . n +A 1 92 LEU 92 92 92 LEU LEU A . n +A 1 93 THR 93 93 93 THR THR A . n +A 1 94 GLU 94 94 94 GLU GLU A . n +A 1 95 ALA 95 95 95 ALA ALA A . n +A 1 96 GLY 96 96 96 GLY GLY A . n +A 1 97 VAL 97 97 97 VAL VAL A . n +A 1 98 THR 98 98 98 THR THR A . n +A 1 99 SER 99 99 99 SER SER A . n +A 1 100 VAL 100 100 100 VAL VAL A . n +A 1 101 VAL 101 101 101 VAL VAL A . n +A 1 102 GLY 102 102 102 GLY GLY A . n +A 1 103 LEU 103 103 103 LEU LEU A . n +A 1 104 LEU 104 104 104 LEU LEU A . n +A 1 105 GLY 105 105 105 GLY GLY A . n +A 1 106 THR 106 106 106 THR THR A . n +A 1 107 ASP 107 107 107 ASP ASP A . n +A 1 108 SER 108 108 108 SER SER A . n +A 1 109 ILE 109 109 109 ILE ILE A . n +A 1 110 SER 110 110 110 SER SER A . n +A 1 111 ARG 111 111 111 ARG ARG A . n +A 1 112 HIS 112 112 112 HIS HIS A . n +A 1 113 PRO 113 113 113 PRO PRO A . n +A 1 114 GLU 114 114 114 GLU GLU A . n +A 1 115 SER 115 115 115 SER SER A . n +A 1 116 LEU 116 116 116 LEU LEU A . n +A 1 117 LEU 117 117 117 LEU LEU A . n +A 1 118 ALA 118 118 118 ALA ALA A . n +A 1 119 LYS 119 119 119 LYS LYS A . n +A 1 120 THR 120 120 120 THR THR A . n +A 1 121 ARG 121 121 121 ARG ARG A . n +A 1 122 ALA 122 122 122 ALA ALA A . n +A 1 123 LEU 123 123 123 LEU LEU A . n +A 1 124 ASN 124 124 124 ASN ASN A . n +A 1 125 GLU 125 125 125 GLU GLU A . n +A 1 126 GLU 126 126 126 GLU GLU A . n +A 1 127 GLY 127 127 127 GLY GLY A . n +A 1 128 ILE 128 128 128 ILE ILE A . n +A 1 129 SER 129 129 129 SER SER A . n +A 1 130 ALA 130 130 130 ALA ALA A . n +A 1 131 TRP 131 131 131 TRP TRP A . n +A 1 132 MET 132 132 132 MET MET A . n +A 1 133 LEU 133 133 133 LEU LEU A . n +A 1 134 THR 134 134 134 THR THR A . n +A 1 135 GLY 135 135 135 GLY GLY A . n +A 1 136 ALA 136 136 136 ALA ALA A . n +A 1 137 TYR 137 137 137 TYR TYR A . n +A 1 138 HIS 138 138 138 HIS HIS A . n +A 1 139 VAL 139 139 139 VAL VAL A . n +A 1 140 PRO 140 140 140 PRO PRO A . n +A 1 141 SER 141 141 141 SER SER A . n +A 1 142 ARG 142 142 142 ARG ARG A . n +A 1 143 THR 143 143 143 THR THR A . n +A 1 144 ILE 144 144 144 ILE ILE A . n +A 1 145 THR 145 145 145 THR THR A . n +A 1 146 GLY 146 146 146 GLY GLY A . n +A 1 147 SER 147 147 147 SER SER A . n +A 1 148 VAL 148 148 148 VAL VAL A . n +A 1 149 GLU 149 149 149 GLU GLU A . n +A 1 150 LYS 150 150 150 LYS LYS A . n +A 1 151 ASP 151 151 151 ASP ASP A . n +A 1 152 VAL 152 152 152 VAL VAL A . n +A 1 153 ALA 153 153 153 ALA ALA A . n +A 1 154 ILE 154 154 154 ILE ILE A . n +A 1 155 ILE 155 155 155 ILE ILE A . n +A 1 156 ASP 156 156 156 ASP ASP A . n +A 1 157 ARG 157 157 157 ARG ARG A . n +A 1 158 VAL 158 158 158 VAL VAL A . n +A 1 159 ILE 159 159 159 ILE ILE A . n +A 1 160 GLY 160 160 160 GLY GLY A . n +A 1 161 VAL 161 161 161 VAL VAL A . n +A 1 162 KCX 162 162 162 KCX KCX A . n +A 1 163 CYS 163 163 163 CYS CYS A . n +A 1 164 ALA 164 164 164 ALA ALA A . n +A 1 165 ILE 165 165 165 ILE ILE A . n +A 1 166 SER 166 166 166 SER SER A . n +A 1 167 ASP 167 167 167 ASP ASP A . n +A 1 168 HIS 168 168 168 HIS HIS A . n +A 1 169 ARG 169 169 169 ARG ARG A . n +A 1 170 SER 170 170 170 SER SER A . n +A 1 171 ALA 171 171 171 ALA ALA A . n +A 1 172 ALA 172 172 172 ALA ALA A . n +A 1 173 PRO 173 173 173 PRO PRO A . n +A 1 174 ASP 174 174 174 ASP ASP A . n +A 1 175 VAL 175 175 175 VAL VAL A . n +A 1 176 TYR 176 176 176 TYR TYR A . n +A 1 177 HIS 177 177 177 HIS HIS A . n +A 1 178 LEU 178 178 178 LEU LEU A . n +A 1 179 ALA 179 179 179 ALA ALA A . n +A 1 180 ASN 180 180 180 ASN ASN A . n +A 1 181 MET 181 181 181 MET MET A . n +A 1 182 ALA 182 182 182 ALA ALA A . n +A 1 183 ALA 183 183 183 ALA ALA A . n +A 1 184 GLU 184 184 184 GLU GLU A . n +A 1 185 SER 185 185 185 SER SER A . n +A 1 186 ARG 186 186 186 ARG ARG A . n +A 1 187 VAL 187 187 187 VAL VAL A . n +A 1 188 GLY 188 188 188 GLY GLY A . n +A 1 189 GLY 189 189 189 GLY GLY A . n +A 1 190 LEU 190 190 190 LEU LEU A . n +A 1 191 LEU 191 191 191 LEU LEU A . n +A 1 192 GLY 192 192 192 GLY GLY A . n +A 1 193 GLY 193 193 193 GLY GLY A . n +A 1 194 LYS 194 194 194 LYS LYS A . n +A 1 195 PRO 195 195 195 PRO PRO A . n +A 1 196 GLY 196 196 196 GLY GLY A . n +A 1 197 VAL 197 197 197 VAL VAL A . n +A 1 198 THR 198 198 198 THR THR A . n +A 1 199 VAL 199 199 199 VAL VAL A . n +A 1 200 PHE 200 200 200 PHE PHE A . n +A 1 201 HIS 201 201 201 HIS HIS A . n +A 1 202 MET 202 202 202 MET MET A . n +A 1 203 GLY 203 203 203 GLY GLY A . n +A 1 204 ASP 204 204 204 ASP ASP A . n +A 1 205 SER 205 205 205 SER SER A . n +A 1 206 LYS 206 206 206 LYS LYS A . n +A 1 207 LYS 207 207 207 LYS LYS A . n +A 1 208 ALA 208 208 208 ALA ALA A . n +A 1 209 LEU 209 209 209 LEU LEU A . n +A 1 210 GLN 210 210 210 GLN GLN A . n +A 1 211 PRO 211 211 211 PRO PRO A . n +A 1 212 ILE 212 212 212 ILE ILE A . n +A 1 213 TYR 213 213 213 TYR TYR A . n +A 1 214 ASP 214 214 214 ASP ASP A . n +A 1 215 LEU 215 215 215 LEU LEU A . n +A 1 216 LEU 216 216 216 LEU LEU A . n +A 1 217 GLU 217 217 217 GLU GLU A . n +A 1 218 ASN 218 218 218 ASN ASN A . n +A 1 219 CYS 219 219 219 CYS CYS A . n +A 1 220 ASP 220 220 220 ASP ASP A . n +A 1 221 VAL 221 221 221 VAL VAL A . n +A 1 222 PRO 222 222 222 PRO PRO A . n +A 1 223 ILE 223 223 223 ILE ILE A . n +A 1 224 SER 224 224 224 SER SER A . n +A 1 225 LYS 225 225 225 LYS LYS A . n +A 1 226 LEU 226 226 226 LEU LEU A . n +A 1 227 LEU 227 227 227 LEU LEU A . n +A 1 228 PRO 228 228 228 PRO PRO A . n +A 1 229 THR 229 229 229 THR THR A . n +A 1 230 HIS 230 230 230 HIS HIS A . n +A 1 231 VAL 231 231 231 VAL VAL A . n +A 1 232 ASN 232 232 232 ASN ASN A . n +A 1 233 ARG 233 233 233 ARG ARG A . n +A 1 234 ASN 234 234 234 ASN ASN A . n +A 1 235 VAL 235 235 235 VAL VAL A . n +A 1 236 PRO 236 236 236 PRO PRO A . n +A 1 237 LEU 237 237 237 LEU LEU A . n +A 1 238 PHE 238 238 238 PHE PHE A . n +A 1 239 GLU 239 239 239 GLU GLU A . n +A 1 240 GLN 240 240 240 GLN GLN A . n +A 1 241 ALA 241 241 241 ALA ALA A . n +A 1 242 LEU 242 242 242 LEU LEU A . n +A 1 243 GLU 243 243 243 GLU GLU A . n +A 1 244 PHE 244 244 244 PHE PHE A . n +A 1 245 ALA 245 245 245 ALA ALA A . n +A 1 246 ARG 246 246 246 ARG ARG A . n +A 1 247 LYS 247 247 247 LYS LYS A . n +A 1 248 GLY 248 248 248 GLY GLY A . n +A 1 249 GLY 249 249 249 GLY GLY A . n +A 1 250 THR 250 250 250 THR THR A . n +A 1 251 ILE 251 251 251 ILE ILE A . n +A 1 252 ASP 252 252 252 ASP ASP A . n +A 1 253 ILE 253 253 253 ILE ILE A . n +A 1 254 THR 254 254 254 THR THR A . n +A 1 255 SER 255 255 255 SER SER A . n +A 1 256 SER 256 256 256 SER SER A . n +A 1 257 ILE 257 257 257 ILE ILE A . n +A 1 258 ASP 258 258 258 ASP ASP A . n +A 1 259 GLU 259 259 259 GLU GLU A . n +A 1 260 PRO 260 260 260 PRO PRO A . n +A 1 261 VAL 261 261 261 VAL VAL A . n +A 1 262 ALA 262 262 262 ALA ALA A . n +A 1 263 PRO 263 263 263 PRO PRO A . n +A 1 264 ALA 264 264 264 ALA ALA A . n +A 1 265 GLU 265 265 265 GLU GLU A . n +A 1 266 GLY 266 266 266 GLY GLY A . n +A 1 267 ILE 267 267 267 ILE ILE A . n +A 1 268 ALA 268 268 268 ALA ALA A . n +A 1 269 ARG 269 269 269 ARG ARG A . n +A 1 270 ALA 270 270 270 ALA ALA A . n +A 1 271 VAL 271 271 271 VAL VAL A . n +A 1 272 GLN 272 272 272 GLN GLN A . n +A 1 273 ALA 273 273 273 ALA ALA A . n +A 1 274 GLY 274 274 274 GLY GLY A . n +A 1 275 ILE 275 275 275 ILE ILE A . n +A 1 276 PRO 276 276 276 PRO PRO A . n +A 1 277 LEU 277 277 277 LEU LEU A . n +A 1 278 ALA 278 278 278 ALA ALA A . n +A 1 279 ARG 279 279 279 ARG ARG A . n +A 1 280 VAL 280 280 280 VAL VAL A . n +A 1 281 THR 281 281 281 THR THR A . n +A 1 282 LEU 282 282 282 LEU LEU A . n +A 1 283 SER 283 283 283 SER SER A . n +A 1 284 SER 284 284 284 SER SER A . n +A 1 285 ASP 285 285 285 ASP ASP A . n +A 1 286 GLY 286 286 286 GLY GLY A . n +A 1 287 ASN 287 287 287 ASN ASN A . n +A 1 288 GLY 288 288 288 GLY GLY A . n +A 1 289 SER 289 289 289 SER SER A . n +A 1 290 GLN 290 290 290 GLN GLN A . n +A 1 291 PRO 291 291 291 PRO PRO A . n +A 1 292 PHE 292 292 292 PHE PHE A . n +A 1 293 PHE 293 293 293 PHE PHE A . n +A 1 294 ASP 294 294 294 ASP ASP A . n +A 1 295 ASP 295 295 295 ASP ASP A . n +A 1 296 GLU 296 296 296 GLU GLU A . n +A 1 297 GLY 297 297 297 GLY GLY A . n +A 1 298 ASN 298 298 298 ASN ASN A . n +A 1 299 LEU 299 299 299 LEU LEU A . n +A 1 300 THR 300 300 300 THR THR A . n +A 1 301 HIS 301 301 301 HIS HIS A . n +A 1 302 ILE 302 302 302 ILE ILE A . n +A 1 303 GLY 303 303 303 GLY GLY A . n +A 1 304 VAL 304 304 304 VAL VAL A . n +A 1 305 ALA 305 305 305 ALA ALA A . n +A 1 306 GLY 306 306 306 GLY GLY A . n +A 1 307 PHE 307 307 307 PHE PHE A . n +A 1 308 GLU 308 308 308 GLU GLU A . n +A 1 309 THR 309 309 309 THR THR A . n +A 1 310 LEU 310 310 310 LEU LEU A . n +A 1 311 LEU 311 311 311 LEU LEU A . n +A 1 312 GLU 312 312 312 GLU GLU A . n +A 1 313 THR 313 313 313 THR THR A . n +A 1 314 VAL 314 314 314 VAL VAL A . n +A 1 315 GLN 315 315 315 GLN GLN A . n +A 1 316 VAL 316 316 316 VAL VAL A . n +A 1 317 LEU 317 317 317 LEU LEU A . n +A 1 318 VAL 318 318 318 VAL VAL A . n +A 1 319 LYS 319 319 319 LYS LYS A . n +A 1 320 ASP 320 320 320 ASP ASP A . n +A 1 321 TYR 321 321 321 TYR TYR A . n +A 1 322 ASP 322 322 322 ASP ASP A . n +A 1 323 PHE 323 323 323 PHE PHE A . n +A 1 324 SER 324 324 324 SER SER A . n +A 1 325 ILE 325 325 325 ILE ILE A . n +A 1 326 SER 326 326 326 SER SER A . n +A 1 327 ASP 327 327 327 ASP ASP A . n +A 1 328 ALA 328 328 328 ALA ALA A . n +A 1 329 LEU 329 329 329 LEU LEU A . n +A 1 330 ARG 330 330 330 ARG ARG A . n +A 1 331 PRO 331 331 331 PRO PRO A . n +A 1 332 LEU 332 332 332 LEU LEU A . n +A 1 333 THR 333 333 333 THR THR A . n +A 1 334 SER 334 334 334 SER SER A . n +A 1 335 SER 335 335 335 SER SER A . n +A 1 336 VAL 336 336 336 VAL VAL A . n +A 1 337 ALA 337 337 337 ALA ALA A . n +A 1 338 GLY 338 338 338 GLY GLY A . n +A 1 339 PHE 339 339 339 PHE PHE A . n +A 1 340 LEU 340 340 340 LEU LEU A . n +A 1 341 ASN 341 341 341 ASN ASN A . n +A 1 342 LEU 342 342 342 LEU LEU A . n +A 1 343 THR 343 343 343 THR THR A . n +A 1 344 GLY 344 344 344 GLY GLY A . n +A 1 345 LYS 345 345 345 LYS LYS A . n +A 1 346 GLY 346 346 346 GLY GLY A . n +A 1 347 GLU 347 347 347 GLU GLU A . n +A 1 348 ILE 348 348 348 ILE ILE A . n +A 1 349 LEU 349 349 349 LEU LEU A . n +A 1 350 PRO 350 350 350 PRO PRO A . n +A 1 351 GLY 351 351 351 GLY GLY A . n +A 1 352 ASN 352 352 352 ASN ASN A . n +A 1 353 ASP 353 353 353 ASP ASP A . n +A 1 354 ALA 354 354 354 ALA ALA A . n +A 1 355 ASP 355 355 355 ASP ASP A . n +A 1 356 LEU 356 356 356 LEU LEU A . n +A 1 357 LEU 357 357 357 LEU LEU A . n +A 1 358 VAL 358 358 358 VAL VAL A . n +A 1 359 MET 359 359 359 MET MET A . n +A 1 360 THR 360 360 360 THR THR A . n +A 1 361 PRO 361 361 361 PRO PRO A . n +A 1 362 GLU 362 362 362 GLU GLU A . n +A 1 363 LEU 363 363 363 LEU LEU A . n +A 1 364 ARG 364 364 364 ARG ARG A . n +A 1 365 ILE 365 365 365 ILE ILE A . n +A 1 366 GLU 366 366 366 GLU GLU A . n +A 1 367 GLN 367 367 367 GLN GLN A . n +A 1 368 VAL 368 368 368 VAL VAL A . n +A 1 369 TYR 369 369 369 TYR TYR A . n +A 1 370 ALA 370 370 370 ALA ALA A . n +A 1 371 ARG 371 371 371 ARG ARG A . n +A 1 372 GLY 372 372 372 GLY GLY A . n +A 1 373 LYS 373 373 373 LYS LYS A . n +A 1 374 LEU 374 374 374 LEU LEU A . n +A 1 375 MET 375 375 375 MET MET A . n +A 1 376 VAL 376 376 376 VAL VAL A . n +A 1 377 LYS 377 377 377 LYS LYS A . n +A 1 378 ASP 378 378 378 ASP ASP A . n +A 1 379 GLY 379 379 379 GLY GLY A . n +A 1 380 LYS 380 380 380 LYS LYS A . n +A 1 381 ALA 381 381 381 ALA ALA A . n +A 1 382 CYS 382 382 382 CYS CYS A . n +A 1 383 VAL 383 383 383 VAL VAL A . n +A 1 384 LYS 384 384 384 LYS LYS A . n +A 1 385 GLY 385 385 385 GLY GLY A . n +A 1 386 THR 386 386 386 THR THR A . n +A 1 387 PHE 387 387 387 PHE PHE A . n +A 1 388 GLU 388 388 388 GLU GLU A . n +A 1 389 THR 389 389 389 THR THR A . n +A 1 390 ALA 390 390 ? ? ? A . n +B 1 1 MET 1 1 1 MET MET B . n +B 1 2 ILE 2 2 2 ILE ILE B . n +B 1 3 ASP 3 3 3 ASP ASP B . n +B 1 4 TYR 4 4 4 TYR TYR B . n +B 1 5 THR 5 5 5 THR THR B . n +B 1 6 ALA 6 6 6 ALA ALA B . n +B 1 7 ALA 7 7 7 ALA ALA B . n +B 1 8 GLY 8 8 8 GLY GLY B . n +B 1 9 PHE 9 9 9 PHE PHE B . n +B 1 10 THR 10 10 10 THR THR B . n +B 1 11 LEU 11 11 11 LEU LEU B . n +B 1 12 LEU 12 12 12 LEU LEU B . n +B 1 13 GLN 13 13 13 GLN GLN B . n +B 1 14 GLY 14 14 14 GLY GLY B . n +B 1 15 ALA 15 15 15 ALA ALA B . n +B 1 16 HIS 16 16 16 HIS HIS B . n +B 1 17 LEU 17 17 17 LEU LEU B . n +B 1 18 TYR 18 18 18 TYR TYR B . n +B 1 19 ALA 19 19 19 ALA ALA B . n +B 1 20 PRO 20 20 20 PRO PRO B . n +B 1 21 GLU 21 21 21 GLU GLU B . n +B 1 22 ASP 22 22 22 ASP ASP B . n +B 1 23 ARG 23 23 23 ARG ARG B . n +B 1 24 GLY 24 24 24 GLY GLY B . n +B 1 25 ILE 25 25 25 ILE ILE B . n +B 1 26 CYS 26 26 26 CYS CYS B . n +B 1 27 ASP 27 27 27 ASP ASP B . n +B 1 28 VAL 28 28 28 VAL VAL B . n +B 1 29 LEU 29 29 29 LEU LEU B . n +B 1 30 VAL 30 30 30 VAL VAL B . n +B 1 31 ALA 31 31 31 ALA ALA B . n +B 1 32 ASN 32 32 32 ASN ASN B . n +B 1 33 GLY 33 33 33 GLY GLY B . n +B 1 34 LYS 34 34 34 LYS LYS B . n +B 1 35 ILE 35 35 35 ILE ILE B . n +B 1 36 ILE 36 36 36 ILE ILE B . n +B 1 37 ALA 37 37 37 ALA ALA B . n +B 1 38 VAL 38 38 38 VAL VAL B . n +B 1 39 ALA 39 39 39 ALA ALA B . n +B 1 40 SER 40 40 40 SER SER B . n +B 1 41 ASN 41 41 41 ASN ASN B . n +B 1 42 ILE 42 42 42 ILE ILE B . n +B 1 43 PRO 43 43 43 PRO PRO B . n +B 1 44 SER 44 44 44 SER SER B . n +B 1 45 ASP 45 45 45 ASP ASP B . n +B 1 46 ILE 46 46 46 ILE ILE B . n +B 1 47 VAL 47 47 47 VAL VAL B . n +B 1 48 PRO 48 48 48 PRO PRO B . n +B 1 49 ASN 49 49 49 ASN ASN B . n +B 1 50 CYS 50 50 50 CYS CYS B . n +B 1 51 THR 51 51 51 THR THR B . n +B 1 52 VAL 52 52 52 VAL VAL B . n +B 1 53 VAL 53 53 53 VAL VAL B . n +B 1 54 ASP 54 54 54 ASP ASP B . n +B 1 55 LEU 55 55 55 LEU LEU B . n +B 1 56 SER 56 56 56 SER SER B . n +B 1 57 GLY 57 57 57 GLY GLY B . n +B 1 58 GLN 58 58 58 GLN GLN B . n +B 1 59 ILE 59 59 59 ILE ILE B . n +B 1 60 LEU 60 60 60 LEU LEU B . n +B 1 61 CYS 61 61 61 CYS CYS B . n +B 1 62 PRO 62 62 62 PRO PRO B . n +B 1 63 GLY 63 63 63 GLY GLY B . n +B 1 64 PHE 64 64 64 PHE PHE B . n +B 1 65 ILE 65 65 65 ILE ILE B . n +B 1 66 ASP 66 66 66 ASP ASP B . n +B 1 67 GLN 67 67 67 GLN GLN B . n +B 1 68 HIS 68 68 68 HIS HIS B . n +B 1 69 VAL 69 69 69 VAL VAL B . n +B 1 70 HIS 70 70 70 HIS HIS B . n +B 1 71 LEU 71 71 71 LEU LEU B . n +B 1 72 ILE 72 72 72 ILE ILE B . n +B 1 73 GLY 73 73 73 GLY GLY B . n +B 1 74 GLY 74 74 74 GLY GLY B . n +B 1 75 GLY 75 75 75 GLY GLY B . n +B 1 76 GLY 76 76 76 GLY GLY B . n +B 1 77 GLU 77 77 77 GLU GLU B . n +B 1 78 ALA 78 78 78 ALA ALA B . n +B 1 79 GLY 79 79 79 GLY GLY B . n +B 1 80 PRO 80 80 80 PRO PRO B . n +B 1 81 THR 81 81 81 THR THR B . n +B 1 82 THR 82 82 82 THR THR B . n +B 1 83 ARG 83 83 83 ARG ARG B . n +B 1 84 THR 84 84 84 THR THR B . n +B 1 85 PRO 85 85 85 PRO PRO B . n +B 1 86 GLU 86 86 86 GLU GLU B . n +B 1 87 VAL 87 87 87 VAL VAL B . n +B 1 88 ALA 88 88 88 ALA ALA B . n +B 1 89 LEU 89 89 89 LEU LEU B . n +B 1 90 SER 90 90 90 SER SER B . n +B 1 91 ARG 91 91 91 ARG ARG B . n +B 1 92 LEU 92 92 92 LEU LEU B . n +B 1 93 THR 93 93 93 THR THR B . n +B 1 94 GLU 94 94 94 GLU GLU B . n +B 1 95 ALA 95 95 95 ALA ALA B . n +B 1 96 GLY 96 96 96 GLY GLY B . n +B 1 97 VAL 97 97 97 VAL VAL B . n +B 1 98 THR 98 98 98 THR THR B . n +B 1 99 SER 99 99 99 SER SER B . n +B 1 100 VAL 100 100 100 VAL VAL B . n +B 1 101 VAL 101 101 101 VAL VAL B . n +B 1 102 GLY 102 102 102 GLY GLY B . n +B 1 103 LEU 103 103 103 LEU LEU B . n +B 1 104 LEU 104 104 104 LEU LEU B . n +B 1 105 GLY 105 105 105 GLY GLY B . n +B 1 106 THR 106 106 106 THR THR B . n +B 1 107 ASP 107 107 107 ASP ASP B . n +B 1 108 SER 108 108 108 SER SER B . n +B 1 109 ILE 109 109 109 ILE ILE B . n +B 1 110 SER 110 110 110 SER SER B . n +B 1 111 ARG 111 111 111 ARG ARG B . n +B 1 112 HIS 112 112 112 HIS HIS B . n +B 1 113 PRO 113 113 113 PRO PRO B . n +B 1 114 GLU 114 114 114 GLU GLU B . n +B 1 115 SER 115 115 115 SER SER B . n +B 1 116 LEU 116 116 116 LEU LEU B . n +B 1 117 LEU 117 117 117 LEU LEU B . n +B 1 118 ALA 118 118 118 ALA ALA B . n +B 1 119 LYS 119 119 119 LYS LYS B . n +B 1 120 THR 120 120 120 THR THR B . n +B 1 121 ARG 121 121 121 ARG ARG B . n +B 1 122 ALA 122 122 122 ALA ALA B . n +B 1 123 LEU 123 123 123 LEU LEU B . n +B 1 124 ASN 124 124 124 ASN ASN B . n +B 1 125 GLU 125 125 125 GLU GLU B . n +B 1 126 GLU 126 126 126 GLU GLU B . n +B 1 127 GLY 127 127 127 GLY GLY B . n +B 1 128 ILE 128 128 128 ILE ILE B . n +B 1 129 SER 129 129 129 SER SER B . n +B 1 130 ALA 130 130 130 ALA ALA B . n +B 1 131 TRP 131 131 131 TRP TRP B . n +B 1 132 MET 132 132 132 MET MET B . n +B 1 133 LEU 133 133 133 LEU LEU B . n +B 1 134 THR 134 134 134 THR THR B . n +B 1 135 GLY 135 135 135 GLY GLY B . n +B 1 136 ALA 136 136 136 ALA ALA B . n +B 1 137 TYR 137 137 137 TYR TYR B . n +B 1 138 HIS 138 138 138 HIS HIS B . n +B 1 139 VAL 139 139 139 VAL VAL B . n +B 1 140 PRO 140 140 140 PRO PRO B . n +B 1 141 SER 141 141 141 SER SER B . n +B 1 142 ARG 142 142 142 ARG ARG B . n +B 1 143 THR 143 143 143 THR THR B . n +B 1 144 ILE 144 144 144 ILE ILE B . n +B 1 145 THR 145 145 145 THR THR B . n +B 1 146 GLY 146 146 146 GLY GLY B . n +B 1 147 SER 147 147 147 SER SER B . n +B 1 148 VAL 148 148 148 VAL VAL B . n +B 1 149 GLU 149 149 149 GLU GLU B . n +B 1 150 LYS 150 150 150 LYS LYS B . n +B 1 151 ASP 151 151 151 ASP ASP B . n +B 1 152 VAL 152 152 152 VAL VAL B . n +B 1 153 ALA 153 153 153 ALA ALA B . n +B 1 154 ILE 154 154 154 ILE ILE B . n +B 1 155 ILE 155 155 155 ILE ILE B . n +B 1 156 ASP 156 156 156 ASP ASP B . n +B 1 157 ARG 157 157 157 ARG ARG B . n +B 1 158 VAL 158 158 158 VAL VAL B . n +B 1 159 ILE 159 159 159 ILE ILE B . n +B 1 160 GLY 160 160 160 GLY GLY B . n +B 1 161 VAL 161 161 161 VAL VAL B . n +B 1 162 KCX 162 162 162 KCX KCX B . n +B 1 163 CYS 163 163 163 CYS CYS B . n +B 1 164 ALA 164 164 164 ALA ALA B . n +B 1 165 ILE 165 165 165 ILE ILE B . n +B 1 166 SER 166 166 166 SER SER B . n +B 1 167 ASP 167 167 167 ASP ASP B . n +B 1 168 HIS 168 168 168 HIS HIS B . n +B 1 169 ARG 169 169 169 ARG ARG B . n +B 1 170 SER 170 170 170 SER SER B . n +B 1 171 ALA 171 171 171 ALA ALA B . n +B 1 172 ALA 172 172 172 ALA ALA B . n +B 1 173 PRO 173 173 173 PRO PRO B . n +B 1 174 ASP 174 174 174 ASP ASP B . n +B 1 175 VAL 175 175 175 VAL VAL B . n +B 1 176 TYR 176 176 176 TYR TYR B . n +B 1 177 HIS 177 177 177 HIS HIS B . n +B 1 178 LEU 178 178 178 LEU LEU B . n +B 1 179 ALA 179 179 179 ALA ALA B . n +B 1 180 ASN 180 180 180 ASN ASN B . n +B 1 181 MET 181 181 181 MET MET B . n +B 1 182 ALA 182 182 182 ALA ALA B . n +B 1 183 ALA 183 183 183 ALA ALA B . n +B 1 184 GLU 184 184 184 GLU GLU B . n +B 1 185 SER 185 185 185 SER SER B . n +B 1 186 ARG 186 186 186 ARG ARG B . n +B 1 187 VAL 187 187 187 VAL VAL B . n +B 1 188 GLY 188 188 188 GLY GLY B . n +B 1 189 GLY 189 189 189 GLY GLY B . n +B 1 190 LEU 190 190 190 LEU LEU B . n +B 1 191 LEU 191 191 191 LEU LEU B . n +B 1 192 GLY 192 192 192 GLY GLY B . n +B 1 193 GLY 193 193 193 GLY GLY B . n +B 1 194 LYS 194 194 194 LYS LYS B . n +B 1 195 PRO 195 195 195 PRO PRO B . n +B 1 196 GLY 196 196 196 GLY GLY B . n +B 1 197 VAL 197 197 197 VAL VAL B . n +B 1 198 THR 198 198 198 THR THR B . n +B 1 199 VAL 199 199 199 VAL VAL B . n +B 1 200 PHE 200 200 200 PHE PHE B . n +B 1 201 HIS 201 201 201 HIS HIS B . n +B 1 202 MET 202 202 202 MET MET B . n +B 1 203 GLY 203 203 203 GLY GLY B . n +B 1 204 ASP 204 204 204 ASP ASP B . n +B 1 205 SER 205 205 205 SER SER B . n +B 1 206 LYS 206 206 206 LYS LYS B . n +B 1 207 LYS 207 207 207 LYS LYS B . n +B 1 208 ALA 208 208 208 ALA ALA B . n +B 1 209 LEU 209 209 209 LEU LEU B . n +B 1 210 GLN 210 210 210 GLN GLN B . n +B 1 211 PRO 211 211 211 PRO PRO B . n +B 1 212 ILE 212 212 212 ILE ILE B . n +B 1 213 TYR 213 213 213 TYR TYR B . n +B 1 214 ASP 214 214 214 ASP ASP B . n +B 1 215 LEU 215 215 215 LEU LEU B . n +B 1 216 LEU 216 216 216 LEU LEU B . n +B 1 217 GLU 217 217 217 GLU GLU B . n +B 1 218 ASN 218 218 218 ASN ASN B . n +B 1 219 CYS 219 219 219 CYS CYS B . n +B 1 220 ASP 220 220 220 ASP ASP B . n +B 1 221 VAL 221 221 221 VAL VAL B . n +B 1 222 PRO 222 222 222 PRO PRO B . n +B 1 223 ILE 223 223 223 ILE ILE B . n +B 1 224 SER 224 224 224 SER SER B . n +B 1 225 LYS 225 225 225 LYS LYS B . n +B 1 226 LEU 226 226 226 LEU LEU B . n +B 1 227 LEU 227 227 227 LEU LEU B . n +B 1 228 PRO 228 228 228 PRO PRO B . n +B 1 229 THR 229 229 229 THR THR B . n +B 1 230 HIS 230 230 230 HIS HIS B . n +B 1 231 VAL 231 231 231 VAL VAL B . n +B 1 232 ASN 232 232 232 ASN ASN B . n +B 1 233 ARG 233 233 233 ARG ARG B . n +B 1 234 ASN 234 234 234 ASN ASN B . n +B 1 235 VAL 235 235 235 VAL VAL B . n +B 1 236 PRO 236 236 236 PRO PRO B . n +B 1 237 LEU 237 237 237 LEU LEU B . n +B 1 238 PHE 238 238 238 PHE PHE B . n +B 1 239 GLU 239 239 239 GLU GLU B . n +B 1 240 GLN 240 240 240 GLN GLN B . n +B 1 241 ALA 241 241 241 ALA ALA B . n +B 1 242 LEU 242 242 242 LEU LEU B . n +B 1 243 GLU 243 243 243 GLU GLU B . n +B 1 244 PHE 244 244 244 PHE PHE B . n +B 1 245 ALA 245 245 245 ALA ALA B . n +B 1 246 ARG 246 246 246 ARG ARG B . n +B 1 247 LYS 247 247 247 LYS LYS B . n +B 1 248 GLY 248 248 248 GLY GLY B . n +B 1 249 GLY 249 249 249 GLY GLY B . n +B 1 250 THR 250 250 250 THR THR B . n +B 1 251 ILE 251 251 251 ILE ILE B . n +B 1 252 ASP 252 252 252 ASP ASP B . n +B 1 253 ILE 253 253 253 ILE ILE B . n +B 1 254 THR 254 254 254 THR THR B . n +B 1 255 SER 255 255 255 SER SER B . n +B 1 256 SER 256 256 256 SER SER B . n +B 1 257 ILE 257 257 257 ILE ILE B . n +B 1 258 ASP 258 258 258 ASP ASP B . n +B 1 259 GLU 259 259 259 GLU GLU B . n +B 1 260 PRO 260 260 260 PRO PRO B . n +B 1 261 VAL 261 261 261 VAL VAL B . n +B 1 262 ALA 262 262 262 ALA ALA B . n +B 1 263 PRO 263 263 263 PRO PRO B . n +B 1 264 ALA 264 264 264 ALA ALA B . n +B 1 265 GLU 265 265 265 GLU GLU B . n +B 1 266 GLY 266 266 266 GLY GLY B . n +B 1 267 ILE 267 267 267 ILE ILE B . n +B 1 268 ALA 268 268 268 ALA ALA B . n +B 1 269 ARG 269 269 269 ARG ARG B . n +B 1 270 ALA 270 270 270 ALA ALA B . n +B 1 271 VAL 271 271 271 VAL VAL B . n +B 1 272 GLN 272 272 272 GLN GLN B . n +B 1 273 ALA 273 273 273 ALA ALA B . n +B 1 274 GLY 274 274 274 GLY GLY B . n +B 1 275 ILE 275 275 275 ILE ILE B . n +B 1 276 PRO 276 276 276 PRO PRO B . n +B 1 277 LEU 277 277 277 LEU LEU B . n +B 1 278 ALA 278 278 278 ALA ALA B . n +B 1 279 ARG 279 279 279 ARG ARG B . n +B 1 280 VAL 280 280 280 VAL VAL B . n +B 1 281 THR 281 281 281 THR THR B . n +B 1 282 LEU 282 282 282 LEU LEU B . n +B 1 283 SER 283 283 283 SER SER B . n +B 1 284 SER 284 284 284 SER SER B . n +B 1 285 ASP 285 285 285 ASP ASP B . n +B 1 286 GLY 286 286 286 GLY GLY B . n +B 1 287 ASN 287 287 287 ASN ASN B . n +B 1 288 GLY 288 288 288 GLY GLY B . n +B 1 289 SER 289 289 289 SER SER B . n +B 1 290 GLN 290 290 290 GLN GLN B . n +B 1 291 PRO 291 291 291 PRO PRO B . n +B 1 292 PHE 292 292 292 PHE PHE B . n +B 1 293 PHE 293 293 293 PHE PHE B . n +B 1 294 ASP 294 294 294 ASP ASP B . n +B 1 295 ASP 295 295 295 ASP ASP B . n +B 1 296 GLU 296 296 296 GLU GLU B . n +B 1 297 GLY 297 297 297 GLY GLY B . n +B 1 298 ASN 298 298 298 ASN ASN B . n +B 1 299 LEU 299 299 299 LEU LEU B . n +B 1 300 THR 300 300 300 THR THR B . n +B 1 301 HIS 301 301 301 HIS HIS B . n +B 1 302 ILE 302 302 302 ILE ILE B . n +B 1 303 GLY 303 303 303 GLY GLY B . n +B 1 304 VAL 304 304 304 VAL VAL B . n +B 1 305 ALA 305 305 305 ALA ALA B . n +B 1 306 GLY 306 306 306 GLY GLY B . n +B 1 307 PHE 307 307 307 PHE PHE B . n +B 1 308 GLU 308 308 308 GLU GLU B . n +B 1 309 THR 309 309 309 THR THR B . n +B 1 310 LEU 310 310 310 LEU LEU B . n +B 1 311 LEU 311 311 311 LEU LEU B . n +B 1 312 GLU 312 312 312 GLU GLU B . n +B 1 313 THR 313 313 313 THR THR B . n +B 1 314 VAL 314 314 314 VAL VAL B . n +B 1 315 GLN 315 315 315 GLN GLN B . n +B 1 316 VAL 316 316 316 VAL VAL B . n +B 1 317 LEU 317 317 317 LEU LEU B . n +B 1 318 VAL 318 318 318 VAL VAL B . n +B 1 319 LYS 319 319 319 LYS LYS B . n +B 1 320 ASP 320 320 320 ASP ASP B . n +B 1 321 TYR 321 321 321 TYR TYR B . n +B 1 322 ASP 322 322 322 ASP ASP B . n +B 1 323 PHE 323 323 323 PHE PHE B . n +B 1 324 SER 324 324 324 SER SER B . n +B 1 325 ILE 325 325 325 ILE ILE B . n +B 1 326 SER 326 326 326 SER SER B . n +B 1 327 ASP 327 327 327 ASP ASP B . n +B 1 328 ALA 328 328 328 ALA ALA B . n +B 1 329 LEU 329 329 329 LEU LEU B . n +B 1 330 ARG 330 330 330 ARG ARG B . n +B 1 331 PRO 331 331 331 PRO PRO B . n +B 1 332 LEU 332 332 332 LEU LEU B . n +B 1 333 THR 333 333 333 THR THR B . n +B 1 334 SER 334 334 334 SER SER B . n +B 1 335 SER 335 335 335 SER SER B . n +B 1 336 VAL 336 336 336 VAL VAL B . n +B 1 337 ALA 337 337 337 ALA ALA B . n +B 1 338 GLY 338 338 338 GLY GLY B . n +B 1 339 PHE 339 339 339 PHE PHE B . n +B 1 340 LEU 340 340 340 LEU LEU B . n +B 1 341 ASN 341 341 341 ASN ASN B . n +B 1 342 LEU 342 342 342 LEU LEU B . n +B 1 343 THR 343 343 343 THR THR B . n +B 1 344 GLY 344 344 344 GLY GLY B . n +B 1 345 LYS 345 345 345 LYS LYS B . n +B 1 346 GLY 346 346 346 GLY GLY B . n +B 1 347 GLU 347 347 347 GLU GLU B . n +B 1 348 ILE 348 348 348 ILE ILE B . n +B 1 349 LEU 349 349 349 LEU LEU B . n +B 1 350 PRO 350 350 350 PRO PRO B . n +B 1 351 GLY 351 351 351 GLY GLY B . n +B 1 352 ASN 352 352 352 ASN ASN B . n +B 1 353 ASP 353 353 353 ASP ASP B . n +B 1 354 ALA 354 354 354 ALA ALA B . n +B 1 355 ASP 355 355 355 ASP ASP B . n +B 1 356 LEU 356 356 356 LEU LEU B . n +B 1 357 LEU 357 357 357 LEU LEU B . n +B 1 358 VAL 358 358 358 VAL VAL B . n +B 1 359 MET 359 359 359 MET MET B . n +B 1 360 THR 360 360 360 THR THR B . n +B 1 361 PRO 361 361 361 PRO PRO B . n +B 1 362 GLU 362 362 362 GLU GLU B . n +B 1 363 LEU 363 363 363 LEU LEU B . n +B 1 364 ARG 364 364 364 ARG ARG B . n +B 1 365 ILE 365 365 365 ILE ILE B . n +B 1 366 GLU 366 366 366 GLU GLU B . n +B 1 367 GLN 367 367 367 GLN GLN B . n +B 1 368 VAL 368 368 368 VAL VAL B . n +B 1 369 TYR 369 369 369 TYR TYR B . n +B 1 370 ALA 370 370 370 ALA ALA B . n +B 1 371 ARG 371 371 371 ARG ARG B . n +B 1 372 GLY 372 372 372 GLY GLY B . n +B 1 373 LYS 373 373 373 LYS LYS B . n +B 1 374 LEU 374 374 374 LEU LEU B . n +B 1 375 MET 375 375 375 MET MET B . n +B 1 376 VAL 376 376 376 VAL VAL B . n +B 1 377 LYS 377 377 377 LYS LYS B . n +B 1 378 ASP 378 378 378 ASP ASP B . n +B 1 379 GLY 379 379 379 GLY GLY B . n +B 1 380 LYS 380 380 380 LYS LYS B . n +B 1 381 ALA 381 381 381 ALA ALA B . n +B 1 382 CYS 382 382 382 CYS CYS B . n +B 1 383 VAL 383 383 383 VAL VAL B . n +B 1 384 LYS 384 384 384 LYS LYS B . n +B 1 385 GLY 385 385 385 GLY GLY B . n +B 1 386 THR 386 386 386 THR THR B . n +B 1 387 PHE 387 387 387 PHE PHE B . n +B 1 388 GLU 388 388 388 GLU GLU B . n +B 1 389 THR 389 389 389 THR THR B . n +B 1 390 ALA 390 390 ? ? ? B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 2 ZN 1 401 401 ZN ZN A . +D 2 ZN 1 402 402 ZN ZN A . +E 3 ASP 1 450 450 ASP ASP A . +F 2 ZN 1 501 501 ZN ZN B . +G 2 ZN 1 502 502 ZN ZN B . +H 3 ASP 1 550 550 ASP ASP B . +I 4 HOH 1 391 2 HOH HOH A . +I 4 HOH 2 392 4 HOH HOH A . +I 4 HOH 3 393 5 HOH HOH A . +I 4 HOH 4 394 7 HOH HOH A . +I 4 HOH 5 395 12 HOH HOH A . +I 4 HOH 6 396 13 HOH HOH A . +I 4 HOH 7 397 15 HOH HOH A . +I 4 HOH 8 398 19 HOH HOH A . +I 4 HOH 9 399 21 HOH HOH A . +I 4 HOH 10 400 27 HOH HOH A . +I 4 HOH 11 403 30 HOH HOH A . +I 4 HOH 12 404 31 HOH HOH A . +I 4 HOH 13 405 32 HOH HOH A . +I 4 HOH 14 406 33 HOH HOH A . +I 4 HOH 15 407 36 HOH HOH A . +I 4 HOH 16 408 37 HOH HOH A . +I 4 HOH 17 409 41 HOH HOH A . +I 4 HOH 18 410 42 HOH HOH A . +I 4 HOH 19 411 43 HOH HOH A . +I 4 HOH 20 412 47 HOH HOH A . +I 4 HOH 21 413 48 HOH HOH A . +I 4 HOH 22 414 49 HOH HOH A . +I 4 HOH 23 415 50 HOH HOH A . +I 4 HOH 24 416 51 HOH HOH A . +I 4 HOH 25 417 53 HOH HOH A . +I 4 HOH 26 418 54 HOH HOH A . +I 4 HOH 27 419 56 HOH HOH A . +I 4 HOH 28 420 57 HOH HOH A . +I 4 HOH 29 421 58 HOH HOH A . +I 4 HOH 30 422 61 HOH HOH A . +I 4 HOH 31 423 62 HOH HOH A . +I 4 HOH 32 424 63 HOH HOH A . +I 4 HOH 33 425 64 HOH HOH A . +I 4 HOH 34 426 66 HOH HOH A . +I 4 HOH 35 427 67 HOH HOH A . +I 4 HOH 36 428 70 HOH HOH A . +I 4 HOH 37 429 71 HOH HOH A . +I 4 HOH 38 430 73 HOH HOH A . +I 4 HOH 39 431 82 HOH HOH A . +I 4 HOH 40 432 83 HOH HOH A . +I 4 HOH 41 433 84 HOH HOH A . +I 4 HOH 42 434 86 HOH HOH A . +I 4 HOH 43 435 87 HOH HOH A . +I 4 HOH 44 436 88 HOH HOH A . +I 4 HOH 45 437 93 HOH HOH A . +I 4 HOH 46 438 94 HOH HOH A . +I 4 HOH 47 439 97 HOH HOH A . +I 4 HOH 48 440 98 HOH HOH A . +I 4 HOH 49 441 99 HOH HOH A . +I 4 HOH 50 442 101 HOH HOH A . +I 4 HOH 51 443 103 HOH HOH A . +I 4 HOH 52 444 104 HOH HOH A . +I 4 HOH 53 445 105 HOH HOH A . +I 4 HOH 54 446 107 HOH HOH A . +I 4 HOH 55 447 108 HOH HOH A . +I 4 HOH 56 448 110 HOH HOH A . +I 4 HOH 57 449 111 HOH HOH A . +I 4 HOH 58 451 112 HOH HOH A . +I 4 HOH 59 452 113 HOH HOH A . +I 4 HOH 60 453 115 HOH HOH A . +I 4 HOH 61 454 116 HOH HOH A . +I 4 HOH 62 455 119 HOH HOH A . +I 4 HOH 63 456 122 HOH HOH A . +I 4 HOH 64 457 125 HOH HOH A . +I 4 HOH 65 458 127 HOH HOH A . +I 4 HOH 66 459 129 HOH HOH A . +I 4 HOH 67 460 130 HOH HOH A . +I 4 HOH 68 461 132 HOH HOH A . +I 4 HOH 69 462 134 HOH HOH A . +I 4 HOH 70 463 137 HOH HOH A . +I 4 HOH 71 464 138 HOH HOH A . +I 4 HOH 72 465 140 HOH HOH A . +I 4 HOH 73 466 143 HOH HOH A . +I 4 HOH 74 467 146 HOH HOH A . +I 4 HOH 75 468 147 HOH HOH A . +I 4 HOH 76 469 148 HOH HOH A . +I 4 HOH 77 470 165 HOH HOH A . +I 4 HOH 78 471 182 HOH HOH A . +I 4 HOH 79 472 183 HOH HOH A . +I 4 HOH 80 473 184 HOH HOH A . +I 4 HOH 81 474 185 HOH HOH A . +I 4 HOH 82 475 186 HOH HOH A . +I 4 HOH 83 476 187 HOH HOH A . +I 4 HOH 84 477 188 HOH HOH A . +I 4 HOH 85 478 189 HOH HOH A . +I 4 HOH 86 479 190 HOH HOH A . +I 4 HOH 87 480 191 HOH HOH A . +I 4 HOH 88 481 192 HOH HOH A . +I 4 HOH 89 482 193 HOH HOH A . +I 4 HOH 90 483 194 HOH HOH A . +I 4 HOH 91 484 195 HOH HOH A . +I 4 HOH 92 485 196 HOH HOH A . +I 4 HOH 93 486 197 HOH HOH A . +I 4 HOH 94 487 198 HOH HOH A . +I 4 HOH 95 488 199 HOH HOH A . +I 4 HOH 96 489 200 HOH HOH A . +I 4 HOH 97 490 201 HOH HOH A . +I 4 HOH 98 491 202 HOH HOH A . +I 4 HOH 99 492 203 HOH HOH A . +I 4 HOH 100 493 204 HOH HOH A . +I 4 HOH 101 494 205 HOH HOH A . +I 4 HOH 102 495 206 HOH HOH A . +I 4 HOH 103 496 207 HOH HOH A . +I 4 HOH 104 497 208 HOH HOH A . +I 4 HOH 105 498 209 HOH HOH A . +I 4 HOH 106 499 210 HOH HOH A . +I 4 HOH 107 500 211 HOH HOH A . +I 4 HOH 108 501 212 HOH HOH A . +I 4 HOH 109 502 213 HOH HOH A . +I 4 HOH 110 503 214 HOH HOH A . +I 4 HOH 111 504 215 HOH HOH A . +I 4 HOH 112 505 216 HOH HOH A . +I 4 HOH 113 506 217 HOH HOH A . +I 4 HOH 114 507 218 HOH HOH A . +I 4 HOH 115 508 219 HOH HOH A . +I 4 HOH 116 509 221 HOH HOH A . +I 4 HOH 117 510 222 HOH HOH A . +I 4 HOH 118 511 223 HOH HOH A . +I 4 HOH 119 512 224 HOH HOH A . +I 4 HOH 120 513 225 HOH HOH A . +I 4 HOH 121 514 226 HOH HOH A . +I 4 HOH 122 515 227 HOH HOH A . +I 4 HOH 123 516 228 HOH HOH A . +I 4 HOH 124 517 229 HOH HOH A . +I 4 HOH 125 518 230 HOH HOH A . +I 4 HOH 126 519 231 HOH HOH A . +I 4 HOH 127 520 232 HOH HOH A . +I 4 HOH 128 521 233 HOH HOH A . +I 4 HOH 129 522 257 HOH HOH A . +J 4 HOH 1 391 1 HOH HOH B . +J 4 HOH 2 392 3 HOH HOH B . +J 4 HOH 3 393 6 HOH HOH B . +J 4 HOH 4 394 8 HOH HOH B . +J 4 HOH 5 395 9 HOH HOH B . +J 4 HOH 6 396 10 HOH HOH B . +J 4 HOH 7 397 11 HOH HOH B . +J 4 HOH 8 398 14 HOH HOH B . +J 4 HOH 9 399 16 HOH HOH B . +J 4 HOH 10 400 17 HOH HOH B . +J 4 HOH 11 401 18 HOH HOH B . +J 4 HOH 12 402 20 HOH HOH B . +J 4 HOH 13 403 22 HOH HOH B . +J 4 HOH 14 404 23 HOH HOH B . +J 4 HOH 15 405 24 HOH HOH B . +J 4 HOH 16 406 25 HOH HOH B . +J 4 HOH 17 407 26 HOH HOH B . +J 4 HOH 18 408 28 HOH HOH B . +J 4 HOH 19 409 29 HOH HOH B . +J 4 HOH 20 410 34 HOH HOH B . +J 4 HOH 21 411 35 HOH HOH B . +J 4 HOH 22 412 38 HOH HOH B . +J 4 HOH 23 413 39 HOH HOH B . +J 4 HOH 24 414 40 HOH HOH B . +J 4 HOH 25 415 44 HOH HOH B . +J 4 HOH 26 416 45 HOH HOH B . +J 4 HOH 27 417 46 HOH HOH B . +J 4 HOH 28 418 52 HOH HOH B . +J 4 HOH 29 419 55 HOH HOH B . +J 4 HOH 30 420 59 HOH HOH B . +J 4 HOH 31 421 60 HOH HOH B . +J 4 HOH 32 422 65 HOH HOH B . +J 4 HOH 33 423 68 HOH HOH B . +J 4 HOH 34 424 69 HOH HOH B . +J 4 HOH 35 425 72 HOH HOH B . +J 4 HOH 36 426 74 HOH HOH B . +J 4 HOH 37 427 75 HOH HOH B . +J 4 HOH 38 428 76 HOH HOH B . +J 4 HOH 39 429 77 HOH HOH B . +J 4 HOH 40 430 78 HOH HOH B . +J 4 HOH 41 431 79 HOH HOH B . +J 4 HOH 42 432 80 HOH HOH B . +J 4 HOH 43 433 81 HOH HOH B . +J 4 HOH 44 434 85 HOH HOH B . +J 4 HOH 45 435 89 HOH HOH B . +J 4 HOH 46 436 90 HOH HOH B . +J 4 HOH 47 437 91 HOH HOH B . +J 4 HOH 48 438 92 HOH HOH B . +J 4 HOH 49 439 95 HOH HOH B . +J 4 HOH 50 440 96 HOH HOH B . +J 4 HOH 51 441 100 HOH HOH B . +J 4 HOH 52 442 102 HOH HOH B . +J 4 HOH 53 443 106 HOH HOH B . +J 4 HOH 54 444 109 HOH HOH B . +J 4 HOH 55 445 114 HOH HOH B . +J 4 HOH 56 446 117 HOH HOH B . +J 4 HOH 57 447 118 HOH HOH B . +J 4 HOH 58 448 120 HOH HOH B . +J 4 HOH 59 449 121 HOH HOH B . +J 4 HOH 60 450 123 HOH HOH B . +J 4 HOH 61 451 124 HOH HOH B . +J 4 HOH 62 452 126 HOH HOH B . +J 4 HOH 63 453 128 HOH HOH B . +J 4 HOH 64 454 131 HOH HOH B . +J 4 HOH 65 455 133 HOH HOH B . +J 4 HOH 66 456 135 HOH HOH B . +J 4 HOH 67 457 136 HOH HOH B . +J 4 HOH 68 458 139 HOH HOH B . +J 4 HOH 69 459 141 HOH HOH B . +J 4 HOH 70 460 142 HOH HOH B . +J 4 HOH 71 461 144 HOH HOH B . +J 4 HOH 72 462 145 HOH HOH B . +J 4 HOH 73 463 149 HOH HOH B . +J 4 HOH 74 464 150 HOH HOH B . +J 4 HOH 75 465 151 HOH HOH B . +J 4 HOH 76 466 152 HOH HOH B . +J 4 HOH 77 467 153 HOH HOH B . +J 4 HOH 78 468 154 HOH HOH B . +J 4 HOH 79 469 155 HOH HOH B . +J 4 HOH 80 470 156 HOH HOH B . +J 4 HOH 81 471 157 HOH HOH B . +J 4 HOH 82 472 158 HOH HOH B . +J 4 HOH 83 473 159 HOH HOH B . +J 4 HOH 84 474 160 HOH HOH B . +J 4 HOH 85 475 161 HOH HOH B . +J 4 HOH 86 476 162 HOH HOH B . +J 4 HOH 87 477 163 HOH HOH B . +J 4 HOH 88 478 164 HOH HOH B . +J 4 HOH 89 479 166 HOH HOH B . +J 4 HOH 90 480 167 HOH HOH B . +J 4 HOH 91 481 168 HOH HOH B . +J 4 HOH 92 482 169 HOH HOH B . +J 4 HOH 93 483 170 HOH HOH B . +J 4 HOH 94 484 171 HOH HOH B . +J 4 HOH 95 485 172 HOH HOH B . +J 4 HOH 96 486 173 HOH HOH B . +J 4 HOH 97 487 174 HOH HOH B . +J 4 HOH 98 488 175 HOH HOH B . +J 4 HOH 99 489 176 HOH HOH B . +J 4 HOH 100 490 177 HOH HOH B . +J 4 HOH 101 491 178 HOH HOH B . +J 4 HOH 102 492 179 HOH HOH B . +J 4 HOH 103 493 180 HOH HOH B . +J 4 HOH 104 494 181 HOH HOH B . +J 4 HOH 105 495 220 HOH HOH B . +J 4 HOH 106 496 234 HOH HOH B . +J 4 HOH 107 497 235 HOH HOH B . +J 4 HOH 108 498 236 HOH HOH B . +J 4 HOH 109 499 237 HOH HOH B . +J 4 HOH 110 500 238 HOH HOH B . +J 4 HOH 111 503 239 HOH HOH B . +J 4 HOH 112 504 240 HOH HOH B . +J 4 HOH 113 505 241 HOH HOH B . +J 4 HOH 114 506 242 HOH HOH B . +J 4 HOH 115 507 243 HOH HOH B . +J 4 HOH 116 508 244 HOH HOH B . +J 4 HOH 117 509 245 HOH HOH B . +J 4 HOH 118 510 246 HOH HOH B . +J 4 HOH 119 511 247 HOH HOH B . +J 4 HOH 120 512 248 HOH HOH B . +J 4 HOH 121 513 249 HOH HOH B . +J 4 HOH 122 514 250 HOH HOH B . +J 4 HOH 123 515 251 HOH HOH B . +J 4 HOH 124 516 252 HOH HOH B . +J 4 HOH 125 517 253 HOH HOH B . +J 4 HOH 126 518 254 HOH HOH B . +J 4 HOH 127 519 255 HOH HOH B . +J 4 HOH 128 520 256 HOH HOH B . +# +loop_ +_pdbx_struct_mod_residue.id +_pdbx_struct_mod_residue.label_asym_id +_pdbx_struct_mod_residue.label_comp_id +_pdbx_struct_mod_residue.label_seq_id +_pdbx_struct_mod_residue.auth_asym_id +_pdbx_struct_mod_residue.auth_comp_id +_pdbx_struct_mod_residue.auth_seq_id +_pdbx_struct_mod_residue.PDB_ins_code +_pdbx_struct_mod_residue.parent_comp_id +_pdbx_struct_mod_residue.details +1 A KCX 162 A KCX 162 ? LYS 'LYSINE NZ-CARBOXYLIC ACID' +2 B KCX 162 B KCX 162 ? LYS 'LYSINE NZ-CARBOXYLIC ACID' +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.method_details PISA,PQS +_pdbx_struct_assembly.oligomeric_details octameric +_pdbx_struct_assembly.oligomeric_count 8 +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2,3,4 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 29950 ? +1 MORE -152 ? +1 'SSA (A^2)' 95180 ? +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 +1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +2 'crystal symmetry operation' 2_655 -x+1,-y,z -1.0000000000 0.0000000000 0.0000000000 119.1000000000 0.0000000000 +-1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +3 'crystal symmetry operation' 3_545 -y+1/2,x-1/2,z 0.0000000000 -1.0000000000 0.0000000000 59.5500000000 1.0000000000 +0.0000000000 0.0000000000 -59.5500000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +4 'crystal symmetry operation' 4_555 y+1/2,-x+1/2,z 0.0000000000 1.0000000000 0.0000000000 59.5500000000 -1.0000000000 +0.0000000000 0.0000000000 59.5500000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000 +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 NE2 ? A HIS 70 ? A HIS 70 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 OQ1 ? A KCX 162 ? A KCX 162 ? 1_555 104.1 ? +2 NE2 ? A HIS 70 ? A HIS 70 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 285 ? A ASP 285 ? 1_555 79.2 ? +3 OQ1 ? A KCX 162 ? A KCX 162 ? 1_555 ZN ? C ZN . ? A ZN 401 ? 1_555 OD1 ? A ASP 285 ? A ASP 285 ? 1_555 171.6 ? +4 ND1 ? A HIS 201 ? A HIS 201 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 NE2 ? A HIS 230 ? A HIS 230 ? 1_555 101.2 ? +5 ND1 ? A HIS 201 ? A HIS 201 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 OD2 ? E ASP . ? A ASP 450 ? 1_555 116.1 ? +6 NE2 ? A HIS 230 ? A HIS 230 ? 1_555 ZN ? D ZN . ? A ZN 402 ? 1_555 OD2 ? E ASP . ? A ASP 450 ? 1_555 142.6 ? +7 NE2 ? B HIS 70 ? B HIS 70 ? 1_555 ZN ? F ZN . ? B ZN 501 ? 1_555 OQ1 ? B KCX 162 ? B KCX 162 ? 1_555 101.4 ? +8 NE2 ? B HIS 70 ? B HIS 70 ? 1_555 ZN ? F ZN . ? B ZN 501 ? 1_555 OD1 ? B ASP 285 ? B ASP 285 ? 1_555 81.8 ? +9 OQ1 ? B KCX 162 ? B KCX 162 ? 1_555 ZN ? F ZN . ? B ZN 501 ? 1_555 OD1 ? B ASP 285 ? B ASP 285 ? 1_555 176.2 ? +10 OQ2 ? B KCX 162 ? B KCX 162 ? 1_555 ZN ? G ZN . ? B ZN 502 ? 1_555 ND1 ? B HIS 201 ? B HIS 201 ? 1_555 107.7 ? +11 OQ2 ? B KCX 162 ? B KCX 162 ? 1_555 ZN ? G ZN . ? B ZN 502 ? 1_555 NE2 ? B HIS 230 ? B HIS 230 ? 1_555 104.0 ? +12 ND1 ? B HIS 201 ? B HIS 201 ? 1_555 ZN ? G ZN . ? B ZN 502 ? 1_555 NE2 ? B HIS 230 ? B HIS 230 ? 1_555 99.8 ? +13 OQ2 ? B KCX 162 ? B KCX 162 ? 1_555 ZN ? G ZN . ? B ZN 502 ? 1_555 OD1 ? H ASP . ? B ASP 550 ? 1_555 110.7 ? +14 ND1 ? B HIS 201 ? B HIS 201 ? 1_555 ZN ? G ZN . ? B ZN 502 ? 1_555 OD1 ? H ASP . ? B ASP 550 ? 1_555 100.2 ? +15 NE2 ? B HIS 230 ? B HIS 230 ? 1_555 ZN ? G ZN . ? B ZN 502 ? 1_555 OD1 ? H ASP . ? B ASP 550 ? 1_555 131.9 ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2003-05-06 +2 'Structure model' 1 1 2008-04-29 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-10-11 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Derived calculations' +3 3 'Structure model' 'Version format compliance' +4 4 'Structure model' 'Refinement description' +# +_pdbx_audit_revision_category.ordinal 1 +_pdbx_audit_revision_category.revision_ordinal 4 +_pdbx_audit_revision_category.data_content_type 'Structure model' +_pdbx_audit_revision_category.category software +# +loop_ +_software.name +_software.classification +_software.version +_software.citation_id +_software.pdbx_ordinal +FRAMBO 'data collection' . ? 1 +XDS 'data reduction' . ? 2 +AMoRE phasing . ? 3 +TNT refinement 5E ? 4 +XDS 'data scaling' . ? 5 +# +_pdbx_validate_symm_contact.id 1 +_pdbx_validate_symm_contact.PDB_model_num 1 +_pdbx_validate_symm_contact.auth_atom_id_1 O +_pdbx_validate_symm_contact.auth_asym_id_1 B +_pdbx_validate_symm_contact.auth_comp_id_1 HOH +_pdbx_validate_symm_contact.auth_seq_id_1 493 +_pdbx_validate_symm_contact.PDB_ins_code_1 ? +_pdbx_validate_symm_contact.label_alt_id_1 ? +_pdbx_validate_symm_contact.site_symmetry_1 1_555 +_pdbx_validate_symm_contact.auth_atom_id_2 O +_pdbx_validate_symm_contact.auth_asym_id_2 B +_pdbx_validate_symm_contact.auth_comp_id_2 HOH +_pdbx_validate_symm_contact.auth_seq_id_2 493 +_pdbx_validate_symm_contact.PDB_ins_code_2 ? +_pdbx_validate_symm_contact.label_alt_id_2 ? +_pdbx_validate_symm_contact.site_symmetry_2 7_556 +_pdbx_validate_symm_contact.dist 2.13 +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 CD A GLU 21 ? ? OE2 A GLU 21 ? ? 1.322 1.252 0.070 0.011 N +2 1 CD A GLU 94 ? ? OE2 A GLU 94 ? ? 1.323 1.252 0.071 0.011 N +3 1 CD A GLU 114 ? ? OE2 A GLU 114 ? ? 1.327 1.252 0.075 0.011 N +4 1 CD A GLU 217 ? ? OE2 A GLU 217 ? ? 1.321 1.252 0.069 0.011 N +5 1 CD A GLU 243 ? ? OE2 A GLU 243 ? ? 1.327 1.252 0.075 0.011 N +6 1 CD A GLU 296 ? ? OE2 A GLU 296 ? ? 1.330 1.252 0.078 0.011 N +7 1 CD A GLU 312 ? ? OE2 A GLU 312 ? ? 1.337 1.252 0.085 0.011 N +8 1 CD A GLU 362 ? ? OE2 A GLU 362 ? ? 1.343 1.252 0.091 0.011 N +9 1 CD B GLU 21 ? ? OE2 B GLU 21 ? ? 1.321 1.252 0.069 0.011 N +10 1 CD B GLU 86 ? ? OE2 B GLU 86 ? ? 1.320 1.252 0.068 0.011 N +11 1 CD B GLU 243 ? ? OE2 B GLU 243 ? ? 1.320 1.252 0.068 0.011 N +12 1 CD B GLU 259 ? ? OE2 B GLU 259 ? ? 1.335 1.252 0.083 0.011 N +13 1 CD B GLU 296 ? ? OE2 B GLU 296 ? ? 1.331 1.252 0.079 0.011 N +14 1 CD B GLU 312 ? ? OE2 B GLU 312 ? ? 1.324 1.252 0.072 0.011 N +15 1 CD B GLU 347 ? ? OE2 B GLU 347 ? ? 1.330 1.252 0.078 0.011 N +16 1 CD B GLU 362 ? ? OE2 B GLU 362 ? ? 1.328 1.252 0.076 0.011 N +17 1 CD B GLU 366 ? ? OE2 B GLU 366 ? ? 1.324 1.252 0.072 0.011 N +18 1 CD B GLU 388 ? ? OE2 B GLU 388 ? ? 1.320 1.252 0.068 0.011 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 CB A ASP 22 ? ? CG A ASP 22 ? ? OD1 A ASP 22 ? ? 124.80 118.30 6.50 0.90 N +2 1 CB A ASP 54 ? ? CG A ASP 54 ? ? OD2 A ASP 54 ? ? 112.02 118.30 -6.28 0.90 N +3 1 CB A ASP 66 ? ? CG A ASP 66 ? ? OD1 A ASP 66 ? ? 124.44 118.30 6.14 0.90 N +4 1 CB A ASP 66 ? ? CG A ASP 66 ? ? OD2 A ASP 66 ? ? 110.54 118.30 -7.76 0.90 N +5 1 NE A ARG 83 ? ? CZ A ARG 83 ? ? NH1 A ARG 83 ? ? 123.95 120.30 3.65 0.50 N +6 1 N A ALA 88 ? ? CA A ALA 88 ? ? CB A ALA 88 ? ? 119.21 110.10 9.11 1.40 N +7 1 CB A ASP 107 ? ? CG A ASP 107 ? ? OD1 A ASP 107 ? ? 125.66 118.30 7.36 0.90 N +8 1 CB A ASP 107 ? ? CG A ASP 107 ? ? OD2 A ASP 107 ? ? 111.20 118.30 -7.10 0.90 N +9 1 CB A ASP 151 ? ? CG A ASP 151 ? ? OD1 A ASP 151 ? ? 127.41 118.30 9.11 0.90 N +10 1 CB A ASP 151 ? ? CG A ASP 151 ? ? OD2 A ASP 151 ? ? 108.74 118.30 -9.56 0.90 N +11 1 CB A ASP 156 ? ? CG A ASP 156 ? ? OD2 A ASP 156 ? ? 110.69 118.30 -7.61 0.90 N +12 1 CB A ASP 167 ? ? CG A ASP 167 ? ? OD1 A ASP 167 ? ? 123.77 118.30 5.47 0.90 N +13 1 CB A ASP 167 ? ? CG A ASP 167 ? ? OD2 A ASP 167 ? ? 112.66 118.30 -5.64 0.90 N +14 1 CB A ASP 174 ? ? CG A ASP 174 ? ? OD2 A ASP 174 ? ? 111.96 118.30 -6.34 0.90 N +15 1 NE A ARG 233 ? ? CZ A ARG 233 ? ? NH1 A ARG 233 ? ? 124.83 120.30 4.53 0.50 N +16 1 NE A ARG 233 ? ? CZ A ARG 233 ? ? NH2 A ARG 233 ? ? 115.29 120.30 -5.01 0.50 N +17 1 CB A ASP 258 ? ? CG A ASP 258 ? ? OD2 A ASP 258 ? ? 111.35 118.30 -6.95 0.90 N +18 1 CB A ASP 294 ? ? CG A ASP 294 ? ? OD1 A ASP 294 ? ? 124.29 118.30 5.99 0.90 N +19 1 CB A ASP 294 ? ? CG A ASP 294 ? ? OD2 A ASP 294 ? ? 110.59 118.30 -7.71 0.90 N +20 1 N A HIS 301 ? ? CA A HIS 301 ? ? CB A HIS 301 ? ? 99.44 110.60 -11.16 1.80 N +21 1 CB A ASP 320 ? ? CG A ASP 320 ? ? OD2 A ASP 320 ? ? 112.55 118.30 -5.75 0.90 N +22 1 CB A ASP 327 ? ? CG A ASP 327 ? ? OD2 A ASP 327 ? ? 111.08 118.30 -7.22 0.90 N +23 1 CB A ASP 353 ? ? CG A ASP 353 ? ? OD1 A ASP 353 ? ? 126.07 118.30 7.77 0.90 N +24 1 CB A ASP 353 ? ? CG A ASP 353 ? ? OD2 A ASP 353 ? ? 109.80 118.30 -8.50 0.90 N +25 1 CB A ASP 378 ? ? CG A ASP 378 ? ? OD2 A ASP 378 ? ? 112.19 118.30 -6.11 0.90 N +26 1 CB B ASP 3 ? ? CG B ASP 3 ? ? OD2 B ASP 3 ? ? 112.16 118.30 -6.14 0.90 N +27 1 CB B ASP 22 ? ? CG B ASP 22 ? ? OD1 B ASP 22 ? ? 124.22 118.30 5.92 0.90 N +28 1 CB B ASP 27 ? ? CG B ASP 27 ? ? OD2 B ASP 27 ? ? 112.71 118.30 -5.59 0.90 N +29 1 CB B ASP 45 ? ? CG B ASP 45 ? ? OD1 B ASP 45 ? ? 123.76 118.30 5.46 0.90 N +30 1 CB B ASP 45 ? ? CG B ASP 45 ? ? OD2 B ASP 45 ? ? 112.30 118.30 -6.00 0.90 N +31 1 CB B ASP 66 ? ? CG B ASP 66 ? ? OD1 B ASP 66 ? ? 124.52 118.30 6.22 0.90 N +32 1 CB B ASP 66 ? ? CG B ASP 66 ? ? OD2 B ASP 66 ? ? 110.03 118.30 -8.27 0.90 N +33 1 NE B ARG 91 ? ? CZ B ARG 91 ? ? NH2 B ARG 91 ? ? 117.19 120.30 -3.11 0.50 N +34 1 CB B ASP 151 ? ? CG B ASP 151 ? ? OD2 B ASP 151 ? ? 110.02 118.30 -8.28 0.90 N +35 1 CB B ASP 156 ? ? CG B ASP 156 ? ? OD2 B ASP 156 ? ? 111.79 118.30 -6.51 0.90 N +36 1 CB B ASP 167 ? ? CG B ASP 167 ? ? OD2 B ASP 167 ? ? 112.20 118.30 -6.10 0.90 N +37 1 CB B ASP 174 ? ? CG B ASP 174 ? ? OD2 B ASP 174 ? ? 112.90 118.30 -5.40 0.90 N +38 1 CB B ASP 252 ? ? CG B ASP 252 ? ? OD1 B ASP 252 ? ? 124.15 118.30 5.85 0.90 N +39 1 CB B ASP 252 ? ? CG B ASP 252 ? ? OD2 B ASP 252 ? ? 112.26 118.30 -6.04 0.90 N +40 1 CB B ASP 258 ? ? CG B ASP 258 ? ? OD2 B ASP 258 ? ? 111.44 118.30 -6.86 0.90 N +41 1 CB B ASP 295 ? ? CG B ASP 295 ? ? OD1 B ASP 295 ? ? 123.73 118.30 5.43 0.90 N +42 1 CB B ASP 295 ? ? CG B ASP 295 ? ? OD2 B ASP 295 ? ? 111.17 118.30 -7.13 0.90 N +43 1 CB B ASP 320 ? ? CG B ASP 320 ? ? OD1 B ASP 320 ? ? 124.36 118.30 6.06 0.90 N +44 1 CB B ASP 320 ? ? CG B ASP 320 ? ? OD2 B ASP 320 ? ? 112.19 118.30 -6.11 0.90 N +45 1 CB B ASP 322 ? ? CG B ASP 322 ? ? OD1 B ASP 322 ? ? 124.66 118.30 6.36 0.90 N +46 1 CB B ASP 322 ? ? CG B ASP 322 ? ? OD2 B ASP 322 ? ? 112.03 118.30 -6.27 0.90 N +47 1 NE B ARG 330 ? ? CZ B ARG 330 ? ? NH2 B ARG 330 ? ? 117.18 120.30 -3.12 0.50 N +48 1 CB B ASP 353 ? ? CG B ASP 353 ? ? OD2 B ASP 353 ? ? 112.03 118.30 -6.27 0.90 N +49 1 CB B ASP 355 ? ? CG B ASP 355 ? ? OD2 B ASP 355 ? ? 111.73 118.30 -6.57 0.90 N +50 1 NE B ARG 364 ? ? CZ B ARG 364 ? ? NH1 B ARG 364 ? ? 125.70 120.30 5.40 0.50 N +51 1 NE B ARG 364 ? ? CZ B ARG 364 ? ? NH2 B ARG 364 ? ? 115.84 120.30 -4.46 0.50 N +52 1 CB B ASP 378 ? ? CG B ASP 378 ? ? OD2 B ASP 378 ? ? 112.16 118.30 -6.14 0.90 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 GLU A 21 ? ? -39.54 132.16 +2 1 ASN A 41 ? ? 52.98 80.54 +3 1 ASN A 49 ? ? 35.27 42.53 +4 1 HIS A 68 ? ? -154.13 73.43 +5 1 ILE A 128 ? ? -109.62 -165.81 +6 1 ALA A 136 ? ? -170.18 -164.06 +7 1 ALA A 208 ? ? 41.48 -114.10 +8 1 ALA A 273 ? ? -68.41 0.43 +9 1 ASN A 287 ? ? 77.27 -3.38 +10 1 GLN A 290 ? ? -114.46 78.96 +11 1 ASP A 294 ? ? -67.60 -157.63 +12 1 THR A 300 ? ? -126.20 -62.05 +13 1 ASP A 322 ? ? 72.60 34.22 +14 1 THR A 333 ? ? -134.38 -105.97 +15 1 SER B 44 ? ? -49.13 -11.58 +16 1 ILE B 128 ? ? -103.12 -169.23 +17 1 ALA B 136 ? ? -173.73 -158.35 +18 1 ALA B 208 ? ? 42.23 -118.34 +19 1 ASP B 294 ? ? -87.52 -152.95 +20 1 THR B 300 ? ? -131.07 -54.21 +21 1 LYS B 319 ? ? -44.68 -70.04 +22 1 THR B 333 ? ? -127.02 -96.09 +23 1 THR B 386 ? ? -36.41 -36.19 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 1 Y 1 A ALA 390 ? A ALA 390 +2 1 Y 1 B ALA 390 ? B ALA 390 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 'ZINC ION' ZN +3 'ASPARTIC ACID' ASP +4 water HOH +# diff --git a/src/test/resources/cif/1pga.cif b/src/test/resources/cif/1pga.cif index 056ca0507..30e11f98e 100644 --- a/src/test/resources/cif/1pga.cif +++ b/src/test/resources/cif/1pga.cif @@ -1,558 +1,506 @@ data_1PGA # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:41:03' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 +_model_server_result.job_id ZG1GdoyH7lIkXNlawnrhJw +_model_server_result.datetime_utc '2022-06-14 23:44:02' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 1pga +# +_entry.id 1PGA +# +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.287 # loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_database_2.database_id +_database_2.database_code +pdb 1PGA +wwpdb D_1000175653 # -_entry.id 1PGA +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 1PGA +_pdbx_database_status.recvd_initial_deposition_date 1993-11-23 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Gallagher, T.' 1 . +'Alexander, P.' 2 . +'Bryan, P.' 3 . +'Gilliland, G.L.' 4 . +# +loop_ +_citation.book_publisher +_citation.country +_citation.id +_citation.journal_abbrev +_citation.journal_id_ASTM +_citation.journal_id_CSD +_citation.journal_id_ISSN +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.title +_citation.year +_citation.pdbx_database_id_DOI +_citation.pdbx_database_id_PubMed +? US primary Biochemistry BICHAW 33 0006-2960 33 4721 4729 'Two crystal structures of the B1 immunoglobulin-binding domain of streptococcal protein G and comparison with NMR.' 1994 10.1021/bi00181a032 8161530 +? US 1 Biochemistry BICHAW 33 0006-2960 31 10449 ? '1.67 Angstroms X-Ray Structure of the B2 Immunoglobulin-Binding Domain of Streptoccocal Protein G and Comparison to the NMR Structure of the B1 Domain' 1992 ? ? +? US 2 Science SCIEAS 38 0036-8075 253 657 ? 'A Novel, Highly Stable Fold of the Immunoglobulin Binding Domain of Streptococcal Protein G' 1991 ? ? # loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Gallagher, T.' 1 +primary 'Alexander, P.' 2 +primary 'Bryan, P.' 3 +primary 'Gilliland, G.L.' 4 +1 'Achari, A.' 5 +1 'Hale, S.P.' 6 +1 'Howard, A.J.' 7 +1 'Clore, G.M.' 8 +1 'Gronenborn, A.M.' 9 +1 'Hardman, K.D.' 10 +1 'Whitlow, M.' 11 +2 'Gronenborn, A.M.' 12 +2 'Filpula, D.R.' 13 +2 'Essig, N.Z.' 14 +2 'Achari, A.' 15 +2 'Whitlow, M.' 16 +2 'Wingfield, P.T.' 17 +2 'Clore, G.M.' 18 +# +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 90 +_cell.entry_id 1PGA +_cell.length_a 37.039 +_cell.length_b 25.084 +_cell.length_c 51.277 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1PGA +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 19 +_symmetry.space_group_name_Hall . +_symmetry.space_group_name_H-M 'P 21 21 21' +# +loop_ +_entity.details +_entity.formula_weight _entity.id -_entity.type _entity.src_method +_entity.type _entity.pdbx_description -_entity.formula_weight _entity.pdbx_number_of_molecules -_entity.details _entity.pdbx_mutation _entity.pdbx_fragment _entity.pdbx_ec -1 polymer man 'PROTEIN G' ? ? . ? ? ? -2 water nat water ? ? . ? ? ? +? 6201.784 1 man polymer 'PROTEIN G' 1 ? ? ? +? 18.015 2 nat water water 20 ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.type polypeptide(L) +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_seq_one_letter_code MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE +_entity_poly.pdbx_seq_one_letter_code_can MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n MET 1 +1 n THR 2 +1 n TYR 3 +1 n LYS 4 +1 n LEU 5 +1 n ILE 6 +1 n LEU 7 +1 n ASN 8 +1 n GLY 9 +1 n LYS 10 +1 n THR 11 +1 n LEU 12 +1 n LYS 13 +1 n GLY 14 +1 n GLU 15 +1 n THR 16 +1 n THR 17 +1 n THR 18 +1 n GLU 19 +1 n ALA 20 +1 n VAL 21 +1 n ASP 22 +1 n ALA 23 +1 n ALA 24 +1 n THR 25 +1 n ALA 26 +1 n GLU 27 +1 n LYS 28 +1 n VAL 29 +1 n PHE 30 +1 n LYS 31 +1 n GLN 32 +1 n TYR 33 +1 n ALA 34 +1 n ASN 35 +1 n ASP 36 +1 n ASN 37 +1 n GLY 38 +1 n VAL 39 +1 n ASP 40 +1 n GLY 41 +1 n GLU 42 +1 n TRP 43 +1 n THR 44 +1 n TYR 45 +1 n ASP 46 +1 n ASP 47 +1 n ALA 48 +1 n THR 49 +1 n LYS 50 +1 n THR 51 +1 n PHE 52 +1 n THR 53 +1 n VAL 54 +1 n THR 55 +1 n GLU 56 +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Streptococcus sp. GX7805' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code SPG1_STRSG +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P06654 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;MEKEKKVKYFLRKSAFGLASVSAAFLVGSTVFAVDSPIEDTPIIRNGGELTNLLGNSETTLALRNEESATADLTAAAVAD +TVAAAAAENAGAAAWEAAAAADALAKAKADALKEFNKYGVSDYYKNLINNAKTVEGIKDLQAQVVESAKKARISEATDGL +SDFLKSQTPAEDTVKSIELAEAKVLANRELDKYGVSDYHKNLINNAKTVEGVKELIDEILAALPKTDTYKLILNGKTLKG +ETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTEKPEVIDASELTPAVTTYKLVINGKTLKGETTTKAVDAE +TAEKAFKQYANDNGVDGVWTYDDATKTFTVTEMVTEVPGDAPTEPEKPEASIPLVPLTPATPIAKDDAKKDDTKKEDAKK +PEAKKDDAKKAETLPTTGEGSNPFFTAAALAVMAGAGALAVASKRKED +; +_struct_ref.pdbx_db_isoform . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1PGA +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 2 +_struct_ref_seq.pdbx_seq_align_beg_ins_code . +_struct_ref_seq.seq_align_end 56 +_struct_ref_seq.pdbx_seq_align_end_ins_code . +_struct_ref_seq.pdbx_db_accession P06654 +_struct_ref_seq.db_align_beg 228 +_struct_ref_seq.pdbx_db_align_beg_ins_code . +_struct_ref_seq.db_align_end 282 +_struct_ref_seq.pdbx_db_align_end_ins_code . +_struct_ref_seq.pdbx_auth_seq_align_beg 2 +_struct_ref_seq.pdbx_auth_seq_align_end 56 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? # _exptl.entry_id 1PGA -_exptl.method 'X-ray diffraction' +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 1.92 +_exptl_crystal.density_percent_sol 35.95 +_exptl_crystal.description . +# +_diffrn.id 1 +_diffrn.ambient_temp . +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l . +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol . +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1 +# +_refine.entry_id 1PGA +_refine.ls_number_reflns_obs 2567 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I 1 +_refine.pdbx_ls_sigma_F . +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 6 +_refine.ls_d_res_high 2.07 +_refine.ls_percent_reflns_obs . +_refine.ls_R_factor_obs 0.17400000000000002 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work . +_refine.ls_R_factor_R_free . +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free . +_refine.ls_number_reflns_R_free . +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.B_iso_mean . +_refine.aniso_B[1][1] . +_refine.aniso_B[2][2] . +_refine.aniso_B[3][3] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][3] . +_refine.solvent_model_details . +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_ls_cross_valid_method . +_refine.details . +_refine.pdbx_starting_model . +_refine.pdbx_method_to_determine_struct . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.overall_SU_ML . +_refine.overall_SU_B . +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.pdbx_solvent_vdw_probe_radii . +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii . +_refine.pdbx_overall_phase_error . +_refine.overall_SU_R_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . # -_struct_conf.conf_type_id HELX_P -_struct_conf.id HELX_P1 -_struct_conf.pdbx_PDB_helix_id 1 +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 436 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 20 +_refine_hist.number_atoms_total 456 +_refine_hist.d_res_high 2.07 +_refine_hist.d_res_low 6 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +p_bond_d 0.02 . . . 'X-RAY DIFFRACTION' . +p_angle_d 1.97 . . . 'X-RAY DIFFRACTION' . +p_angle_deg . . . . 'X-RAY DIFFRACTION' . +p_planar_d . . . . 'X-RAY DIFFRACTION' . +p_hb_or_metal_coord . . . . 'X-RAY DIFFRACTION' . +p_mcbond_it . . . . 'X-RAY DIFFRACTION' . +p_mcangle_it . . . . 'X-RAY DIFFRACTION' . +p_scbond_it . . . . 'X-RAY DIFFRACTION' . +p_scangle_it . . . . 'X-RAY DIFFRACTION' . +p_plane_restr . . . . 'X-RAY DIFFRACTION' . +p_chiral_restr . . . . 'X-RAY DIFFRACTION' . +p_singtor_nbd . . . . 'X-RAY DIFFRACTION' . +p_multtor_nbd . . . . 'X-RAY DIFFRACTION' . +p_xhyhbond_nbd . . . . 'X-RAY DIFFRACTION' . +p_xyhbond_nbd . . . . 'X-RAY DIFFRACTION' . +p_planar_tor . . . . 'X-RAY DIFFRACTION' . +p_staggered_tor . . . . 'X-RAY DIFFRACTION' . +p_orthonormal_tor . . . . 'X-RAY DIFFRACTION' . +p_transverse_tor . . . . 'X-RAY DIFFRACTION' . +p_special_tor . . . . 'X-RAY DIFFRACTION' . +# +_struct.entry_id 1PGA +_struct.title 'TWO CRYSTAL STRUCTURES OF THE B1 IMMUNOGLOBULIN-BINDING DOMAIN OF STREPTOCOCCAL PROTEIN G AND COMPARISON WITH NMR' +_struct.pdbx_descriptor 'PROTEIN G (B1 IGG-BINDING DOMAIN)' +# +_struct_keywords.entry_id 1PGA +_struct_keywords.text 'IMMUNOGLOBULIN BINDING PROTEIN' +_struct_keywords.pdbx_keywords 'IMMUNOGLOBULIN BINDING PROTEIN' +# +loop_ +_struct_asym.details +_struct_asym.entity_id +_struct_asym.id +_struct_asym.pdbx_modified +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +# +_struct_biol.id 1 +# +_struct_conf.conf_type_id helx_p +_struct_conf.id helx_p1 _struct_conf.beg_label_comp_id ALA -_struct_conf.beg_label_asym_id A _struct_conf.beg_label_seq_id 23 _struct_conf.pdbx_beg_PDB_ins_code . +_struct_conf.beg_label_asym_id A +_struct_conf.beg_label_entity_id 1 +_struct_conf.beg_auth_comp_id ALA +_struct_conf.beg_auth_seq_id 23 +_struct_conf.beg_auth_asym_id A _struct_conf.end_label_comp_id ASP -_struct_conf.end_label_asym_id A _struct_conf.end_label_seq_id 36 _struct_conf.pdbx_end_PDB_ins_code . -_struct_conf.beg_auth_comp_id ALA -_struct_conf.beg_auth_asym_id A -_struct_conf.beg_auth_seq_id 23 +_struct_conf.end_label_asym_id A +_struct_conf.end_label_entity_id 1 _struct_conf.end_auth_comp_id ASP -_struct_conf.end_auth_asym_id A _struct_conf.end_auth_seq_id 36 +_struct_conf.end_auth_asym_id A _struct_conf.pdbx_PDB_helix_class 1 _struct_conf.details ? _struct_conf.pdbx_PDB_helix_length 14 # +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . +# +_struct_sheet.id S1 +_struct_sheet.type . +_struct_sheet.number_strands 4 +_struct_sheet.details . +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +S1 1 2 . anti-parallel +S1 2 3 . parallel +S1 3 4 . anti-parallel +# loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_entity_id +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.beg_auth_asym_id _struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_entity_id _struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id -S1 2 MET A 1 . GLY A 9 . ? MET A 1 GLY A 9 -S1 1 LEU A 12 . ALA A 20 . ? LEU A 12 ALA A 20 -S1 4 GLU A 42 . ASP A 46 . ? GLU A 42 ASP A 46 -S1 3 LYS A 50 . GLU A 56 . ? LYS A 50 GLU A 56 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details monomeric -_pdbx_struct_assembly.oligomeric_count 1 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1 -_pdbx_struct_oper_list.matrix[1][2] 0 -_pdbx_struct_oper_list.matrix[1][3] 0 -_pdbx_struct_oper_list.vector[1] 0 -_pdbx_struct_oper_list.matrix[2][1] 0 -_pdbx_struct_oper_list.matrix[2][2] 1 -_pdbx_struct_oper_list.matrix[2][3] 0 -_pdbx_struct_oper_list.vector[2] 0 -_pdbx_struct_oper_list.matrix[3][1] 0 -_pdbx_struct_oper_list.matrix[3][2] 0 -_pdbx_struct_oper_list.matrix[3][3] 1 -_pdbx_struct_oper_list.vector[3] 0 -# -_cell.entry_id 1PGA -_cell.length_a 37.039 -_cell.length_b 25.084 -_cell.length_c 51.277 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 90 -_cell.Z_PDB 4 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 1PGA -_symmetry.space_group_name_H-M 'P 21 21 21' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 19 -_symmetry.space_group_name_Hall . -# -_entity_poly.entity_id 1 -_entity_poly.type polypeptide(L) -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE -_entity_poly.pdbx_seq_one_letter_code_can MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE -_entity_poly.pdbx_strand_id A -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 THR n -1 3 TYR n -1 4 LYS n -1 5 LEU n -1 6 ILE n -1 7 LEU n -1 8 ASN n -1 9 GLY n -1 10 LYS n -1 11 THR n -1 12 LEU n -1 13 LYS n -1 14 GLY n -1 15 GLU n -1 16 THR n -1 17 THR n -1 18 THR n -1 19 GLU n -1 20 ALA n -1 21 VAL n -1 22 ASP n -1 23 ALA n -1 24 ALA n -1 25 THR n -1 26 ALA n -1 27 GLU n -1 28 LYS n -1 29 VAL n -1 30 PHE n -1 31 LYS n -1 32 GLN n -1 33 TYR n -1 34 ALA n -1 35 ASN n -1 36 ASP n -1 37 ASN n -1 38 GLY n -1 39 VAL n -1 40 ASP n -1 41 GLY n -1 42 GLU n -1 43 TRP n -1 44 THR n -1 45 TYR n -1 46 ASP n -1 47 ASP n -1 48 ALA n -1 49 THR n -1 50 LYS n -1 51 THR n -1 52 PHE n -1 53 THR n -1 54 VAL n -1 55 THR n -1 56 GLU n -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.symmetry +S1 1 MET 1 . A 1 MET 1 A GLY 9 . A 1 GLY 9 A ? +S1 2 LEU 12 . A 1 LEU 12 A ALA 20 . A 1 ALA 20 A ? +S1 3 GLU 42 . A 1 GLU 42 A ASP 46 . A 1 ASP 46 A ? # -loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -ASP N 1 N N CA SING -ASP N 2 N N H SING -ASP N 3 N N H2 SING -ASP N 4 N CA C SING -ASP N 5 N CA CB SING -ASP N 6 N CA HA SING -ASP N 7 N C O DOUB -ASP N 8 N C OXT SING -ASP N 9 N CB CG SING -ASP N 10 N CB HB2 SING -ASP N 11 N CB HB3 SING -ASP N 12 N CG OD1 DOUB -ASP N 13 N CG OD2 SING -ASP N 14 N OD2 HD2 SING -ASP N 15 N OXT HXT SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -MET N 1 N N CA SING -MET N 2 N N H SING -MET N 3 N N H2 SING -MET N 4 N CA C SING -MET N 5 N CA CB SING -MET N 6 N CA HA SING -MET N 7 N C O DOUB -MET N 8 N C OXT SING -MET N 9 N CB CG SING -MET N 10 N CB HB2 SING -MET N 11 N CB HB3 SING -MET N 12 N CG SD SING -MET N 13 N CG HG2 SING -MET N 14 N CG HG3 SING -MET N 15 N SD CE SING -MET N 16 N CE HE1 SING -MET N 17 N CE HE2 SING -MET N 18 N CE HE3 SING -MET N 19 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TRP N 1 N N CA SING -TRP N 2 N N H SING -TRP N 3 N N H2 SING -TRP N 4 N CA C SING -TRP N 5 N CA CB SING -TRP N 6 N CA HA SING -TRP N 7 N C O DOUB -TRP N 8 N C OXT SING -TRP N 9 N CB CG SING -TRP N 10 N CB HB2 SING -TRP N 11 N CB HB3 SING -TRP N 12 Y CG CD1 DOUB -TRP N 13 Y CG CD2 SING -TRP N 14 Y CD1 NE1 SING -TRP N 15 N CD1 HD1 SING -TRP N 16 Y CD2 CE2 DOUB -TRP N 17 Y CD2 CE3 SING -TRP N 18 Y NE1 CE2 SING -TRP N 19 N NE1 HE1 SING -TRP N 20 Y CE2 CZ2 SING -TRP N 21 Y CE3 CZ3 DOUB -TRP N 22 N CE3 HE3 SING -TRP N 23 Y CZ2 CH2 DOUB -TRP N 24 N CZ2 HZ2 SING -TRP N 25 Y CZ3 CH2 SING -TRP N 26 N CZ3 HZ3 SING -TRP N 27 N CH2 HH2 SING -TRP N 28 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_database_PDB_matrix.entry_id 1PGA +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 1PGA _atom_sites.fract_transf_matrix[1][1] 0.026999 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.039866 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.019502 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 HOH 1 57 57 HOH HOH A . -B 2 HOH 2 58 58 HOH HOH A . -B 2 HOH 3 59 59 HOH HOH A . -B 2 HOH 4 60 60 HOH HOH A . -B 2 HOH 5 61 61 HOH HOH A . -B 2 HOH 6 62 62 HOH HOH A . -B 2 HOH 7 63 63 HOH HOH A . -B 2 HOH 8 64 64 HOH HOH A . -B 2 HOH 9 65 65 HOH HOH A . -B 2 HOH 10 66 66 HOH HOH A . -B 2 HOH 11 67 67 HOH HOH A . -B 2 HOH 12 68 68 HOH HOH A . -B 2 HOH 13 69 69 HOH HOH A . -B 2 HOH 14 70 70 HOH HOH A . -B 2 HOH 15 71 71 HOH HOH A . -B 2 HOH 16 72 72 HOH HOH A . -B 2 HOH 17 73 73 HOH HOH A . -B 2 HOH 18 74 74 HOH HOH A . -B 2 HOH 19 75 75 HOH HOH A . -B 2 HOH 20 76 76 HOH HOH A . +_atom_type.symbol +C +N +O +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -561,469 +509,668 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . MET A 1 1 . 26.778 34.213 35.88 1 14.61 ? N MET A 1 1 -ATOM 2 C CA . MET A 1 1 . 26.659 32.769 36.242 1 16.66 ? CA MET A 1 1 -ATOM 3 C C . MET A 1 1 . 27.468 31.927 35.268 1 16.16 ? C MET A 1 1 -ATOM 4 O O . MET A 1 1 . 27.699 32.342 34.11 1 15.79 ? O MET A 1 1 -ATOM 5 C CB . MET A 1 1 . 25.202 32.296 36.219 1 15.87 ? CB MET A 1 1 -ATOM 6 C CG . MET A 1 1 . 24.345 32.901 37.319 1 18.67 ? CG MET A 1 1 -ATOM 7 S SD . MET A 1 1 . 22.647 32.419 37.205 1 18.22 ? SD MET A 1 1 -ATOM 8 C CE . MET A 1 1 . 22.101 32.51 39.04 1 18.66 ? CE MET A 1 1 -ATOM 9 N N . THR A 1 2 . 27.942 30.785 35.765 1 12.62 ? N THR A 2 1 -ATOM 10 C CA . THR A 1 2 . 28.716 29.848 34.951 1 13.11 ? CA THR A 2 1 -ATOM 11 C C . THR A 1 2 . 27.81 28.681 34.5 1 12.17 ? C THR A 2 1 -ATOM 12 O O . THR A 1 2 . 27.19 28.014 35.349 1 11.81 ? O THR A 2 1 -ATOM 13 C CB . THR A 1 2 . 29.874 29.309 35.74 1 11.99 ? CB THR A 2 1 -ATOM 14 O OG1 . THR A 1 2 . 30.69 30.402 36.16 1 14.02 ? OG1 THR A 2 1 -ATOM 15 C CG2 . THR A 1 2 . 30.703 28.38 34.901 1 12.76 ? CG2 THR A 2 1 -ATOM 16 N N . TYR A 1 3 . 27.727 28.474 33.178 1 10.5 ? N TYR A 3 1 -ATOM 17 C CA . TYR A 1 3 . 26.925 27.439 32.581 1 8.87 ? CA TYR A 3 1 -ATOM 18 C C . TYR A 1 3 . 27.786 26.384 31.926 1 10.84 ? C TYR A 3 1 -ATOM 19 O O . TYR A 1 3 . 28.925 26.623 31.562 1 9 ? O TYR A 3 1 -ATOM 20 C CB . TYR A 1 3 . 25.98 28.003 31.552 1 9.75 ? CB TYR A 3 1 -ATOM 21 C CG . TYR A 1 3 . 25.043 29.056 32.084 1 9.86 ? CG TYR A 3 1 -ATOM 22 C CD1 . TYR A 1 3 . 25.494 30.368 32.275 1 9.28 ? CD1 TYR A 3 1 -ATOM 23 C CD2 . TYR A 1 3 . 23.704 28.754 32.362 1 8.58 ? CD2 TYR A 3 1 -ATOM 24 C CE1 . TYR A 1 3 . 24.649 31.353 32.728 1 10.76 ? CE1 TYR A 3 1 -ATOM 25 C CE2 . TYR A 1 3 . 22.841 29.745 32.816 1 12.25 ? CE2 TYR A 3 1 -ATOM 26 C CZ . TYR A 1 3 . 23.334 31.057 32.992 1 9.45 ? CZ TYR A 3 1 -ATOM 27 O OH . TYR A 1 3 . 22.507 32.07 33.389 1 10.01 ? OH TYR A 3 1 -ATOM 28 N N . LYS A 1 4 . 27.209 25.188 31.822 1 9.35 ? N LYS A 4 1 -ATOM 29 C CA . LYS A 1 4 . 27.88 24.053 31.245 1 12.62 ? CA LYS A 4 1 -ATOM 30 C C . LYS A 1 4 . 27.146 23.549 30.005 1 10.41 ? C LYS A 4 1 -ATOM 31 O O . LYS A 1 4 . 25.927 23.642 29.883 1 8.07 ? O LYS A 4 1 -ATOM 32 C CB . LYS A 1 4 . 27.98 22.919 32.276 1 16.64 ? CB LYS A 4 1 -ATOM 33 C CG . LYS A 1 4 . 28.614 21.682 31.687 1 23.52 ? CG LYS A 4 1 -ATOM 34 C CD . LYS A 1 4 . 29.133 20.761 32.75 1 26.11 ? CD LYS A 4 1 -ATOM 35 C CE . LYS A 1 4 . 28.104 19.671 33.082 1 32.58 ? CE LYS A 4 1 -ATOM 36 N NZ . LYS A 1 4 . 28.622 18.689 34.151 1 33.4 ? NZ LYS A 4 1 -ATOM 37 N N . LEU A 1 5 . 27.906 23.017 29.076 1 8.27 ? N LEU A 5 1 -ATOM 38 C CA . LEU A 1 5 . 27.287 22.492 27.893 1 5.95 ? CA LEU A 5 1 -ATOM 39 C C . LEU A 1 5 . 27.787 21.089 27.755 1 6.29 ? C LEU A 5 1 -ATOM 40 O O . LEU A 1 5 . 28.98 20.881 27.827 1 5.25 ? O LEU A 5 1 -ATOM 41 C CB . LEU A 1 5 . 27.718 23.274 26.662 1 5.32 ? CB LEU A 5 1 -ATOM 42 C CG . LEU A 1 5 . 27.273 22.663 25.316 1 3.5 ? CG LEU A 5 1 -ATOM 43 C CD1 . LEU A 1 5 . 25.786 22.592 25.165 1 2.85 ? CD1 LEU A 5 1 -ATOM 44 C CD2 . LEU A 1 5 . 27.883 23.37 24.177 1 2.99 ? CD2 LEU A 5 1 -ATOM 45 N N . ILE A 1 6 . 26.872 20.127 27.677 1 4.84 ? N ILE A 6 1 -ATOM 46 C CA . ILE A 1 6 . 27.234 18.718 27.43 1 6.82 ? CA ILE A 6 1 -ATOM 47 C C . ILE A 1 6 . 26.857 18.445 25.938 1 6.98 ? C ILE A 6 1 -ATOM 48 O O . ILE A 1 6 . 25.684 18.61 25.488 1 5.7 ? O ILE A 6 1 -ATOM 49 C CB . ILE A 1 6 . 26.539 17.774 28.431 1 7.7 ? CB ILE A 6 1 -ATOM 50 C CG1 . ILE A 1 6 . 26.929 18.189 29.827 1 8.62 ? CG1 ILE A 6 1 -ATOM 51 C CG2 . ILE A 1 6 . 26.965 16.283 28.223 1 8.79 ? CG2 ILE A 6 1 -ATOM 52 C CD1 . ILE A 1 6 . 26.27 17.302 30.804 1 10.87 ? CD1 ILE A 6 1 -ATOM 53 N N . LEU A 1 7 . 27.883 18.141 25.16 1 6.28 ? N LEU A 7 1 -ATOM 54 C CA . LEU A 1 7 . 27.753 17.891 23.727 1 6.59 ? CA LEU A 7 1 -ATOM 55 C C . LEU A 1 7 . 27.76 16.412 23.441 1 6.58 ? C LEU A 7 1 -ATOM 56 O O . LEU A 1 7 . 28.779 15.768 23.693 1 6.52 ? O LEU A 7 1 -ATOM 57 C CB . LEU A 1 7 . 28.948 18.512 22.941 1 6.2 ? CB LEU A 7 1 -ATOM 58 C CG . LEU A 1 7 . 29.329 19.998 23.037 1 7.38 ? CG LEU A 7 1 -ATOM 59 C CD1 . LEU A 1 7 . 30.665 20.164 23.746 1 5.51 ? CD1 LEU A 7 1 -ATOM 60 C CD2 . LEU A 1 7 . 29.401 20.599 21.67 1 5.66 ? CD2 LEU A 7 1 -ATOM 61 N N . ASN A 1 8 . 26.656 15.886 22.895 1 7.07 ? N ASN A 8 1 -ATOM 62 C CA . ASN A 1 8 . 26.607 14.472 22.512 1 8.36 ? CA ASN A 8 1 -ATOM 63 C C . ASN A 1 8 . 26.394 14.448 21.001 1 6.87 ? C ASN A 8 1 -ATOM 64 O O . ASN A 1 8 . 25.32 14.17 20.496 1 4.58 ? O ASN A 8 1 -ATOM 65 C CB . ASN A 1 8 . 25.509 13.703 23.253 1 11.84 ? CB ASN A 8 1 -ATOM 66 C CG . ASN A 1 8 . 25.427 12.198 22.812 1 17.44 ? CG ASN A 8 1 -ATOM 67 O OD1 . ASN A 1 8 . 26.442 11.493 22.723 1 17.86 ? OD1 ASN A 8 1 -ATOM 68 N ND2 . ASN A 1 8 . 24.216 11.74 22.47 1 19.85 ? ND2 ASN A 8 1 -ATOM 69 N N . GLY A 1 9 . 27.39 14.85 20.248 1 6.96 ? N GLY A 9 1 -ATOM 70 C CA . GLY A 1 9 . 27.19 14.807 18.805 1 6.92 ? CA GLY A 9 1 -ATOM 71 C C . GLY A 1 9 . 27.687 13.461 18.292 1 8.02 ? C GLY A 9 1 -ATOM 72 O O . GLY A 1 9 . 28.202 12.631 19.096 1 7.55 ? O GLY A 9 1 -ATOM 73 N N . LYS A 1 10 . 27.644 13.275 16.967 1 7.38 ? N LYS A 10 1 -ATOM 74 C CA . LYS A 1 10 . 28.097 12.053 16.383 1 7.81 ? CA LYS A 10 1 -ATOM 75 C C . LYS A 1 10 . 29.608 12.016 16.332 1 8 ? C LYS A 10 1 -ATOM 76 O O . LYS A 1 10 . 30.227 10.985 16.633 1 5.03 ? O LYS A 10 1 -ATOM 77 C CB . LYS A 1 10 . 27.505 11.913 15.016 1 11.98 ? CB LYS A 10 1 -ATOM 78 C CG . LYS A 1 10 . 26.053 11.53 15.078 1 16.38 ? CG LYS A 10 1 -ATOM 79 C CD . LYS A 1 10 . 25.221 12.127 13.918 1 24.2 ? CD LYS A 10 1 -ATOM 80 C CE . LYS A 1 10 . 25.741 11.707 12.492 1 27.12 ? CE LYS A 10 1 -ATOM 81 N NZ . LYS A 1 10 . 24.966 12.355 11.327 1 27.49 ? NZ LYS A 10 1 -ATOM 82 N N . THR A 1 11 . 30.199 13.192 16.095 1 7.5 ? N THR A 11 1 -ATOM 83 C CA . THR A 1 11 . 31.651 13.369 15.973 1 8.2 ? CA THR A 11 1 -ATOM 84 C C . THR A 1 11 . 32.334 13.991 17.218 1 7.89 ? C THR A 11 1 -ATOM 85 O O . THR A 1 11 . 33.42 13.607 17.586 1 7.61 ? O THR A 11 1 -ATOM 86 C CB . THR A 1 11 . 31.956 14.339 14.801 1 9.35 ? CB THR A 11 1 -ATOM 87 O OG1 . THR A 1 11 . 31.318 13.897 13.603 1 10.85 ? OG1 THR A 11 1 -ATOM 88 C CG2 . THR A 1 11 . 33.421 14.517 14.602 1 12.32 ? CG2 THR A 11 1 -ATOM 89 N N . LEU A 1 12 . 31.689 14.98 17.82 1 8.58 ? N LEU A 12 1 -ATOM 90 C CA . LEU A 1 12 . 32.24 15.708 18.937 1 7.27 ? CA LEU A 12 1 -ATOM 91 C C . LEU A 1 12 . 31.473 15.439 20.241 1 7.67 ? C LEU A 12 1 -ATOM 92 O O . LEU A 1 12 . 30.249 15.645 20.358 1 7.27 ? O LEU A 12 1 -ATOM 93 C CB . LEU A 1 12 . 32.162 17.199 18.564 1 8.71 ? CB LEU A 12 1 -ATOM 94 C CG . LEU A 1 12 . 33.156 18.3 18.949 1 10.48 ? CG LEU A 12 1 -ATOM 95 C CD1 . LEU A 1 12 . 32.341 19.601 19.228 1 9.21 ? CD1 LEU A 12 1 -ATOM 96 C CD2 . LEU A 1 12 . 34.036 17.907 20.136 1 8.42 ? CD2 LEU A 12 1 -ATOM 97 N N . LYS A 1 13 . 32.202 15.087 21.265 1 5.43 ? N LYS A 13 1 -ATOM 98 C CA . LYS A 1 13 . 31.559 14.806 22.513 1 7.07 ? CA LYS A 13 1 -ATOM 99 C C . LYS A 1 13 . 32.382 15.429 23.592 1 7.64 ? C LYS A 13 1 -ATOM 100 O O . LYS A 1 13 . 33.586 15.394 23.538 1 6.64 ? O LYS A 13 1 -ATOM 101 C CB . LYS A 1 13 . 31.508 13.303 22.723 1 8.04 ? CB LYS A 13 1 -ATOM 102 C CG . LYS A 1 13 . 30.511 12.591 21.829 1 9.13 ? CG LYS A 13 1 -ATOM 103 C CD . LYS A 1 13 . 30.582 11.08 22.038 1 9.99 ? CD LYS A 13 1 -ATOM 104 C CE . LYS A 1 13 . 29.51 10.37 21.214 1 9.64 ? CE LYS A 13 1 -ATOM 105 N NZ . LYS A 1 13 . 29.903 10.422 19.84 1 9.79 ? NZ LYS A 13 1 -ATOM 106 N N . GLY A 1 14 . 31.742 16.049 24.564 1 8.08 ? N GLY A 14 1 -ATOM 107 C CA . GLY A 1 14 . 32.551 16.607 25.608 1 10.91 ? CA GLY A 14 1 -ATOM 108 C C . GLY A 1 14 . 31.784 17.507 26.519 1 13.82 ? C GLY A 14 1 -ATOM 109 O O . GLY A 1 14 . 30.54 17.459 26.526 1 12.43 ? O GLY A 14 1 -ATOM 110 N N . GLU A 1 15 . 32.511 18.353 27.246 1 12.18 ? N GLU A 15 1 -ATOM 111 C CA . GLU A 1 15 . 31.885 19.251 28.169 1 13.37 ? CA GLU A 15 1 -ATOM 112 C C . GLU A 1 15 . 32.675 20.541 28.212 1 13.44 ? C GLU A 15 1 -ATOM 113 O O . GLU A 1 15 . 33.918 20.512 28.139 1 11.68 ? O GLU A 15 1 -ATOM 114 C CB . GLU A 1 15 . 31.955 18.585 29.514 1 16.38 ? CB GLU A 15 1 -ATOM 115 C CG . GLU A 1 15 . 31.16 19.175 30.617 1 20.75 ? CG GLU A 15 1 -ATOM 116 C CD . GLU A 1 15 . 30.988 18.128 31.732 1 22.61 ? CD GLU A 15 1 -ATOM 117 O OE1 . GLU A 1 15 . 30.231 17.132 31.558 1 24.56 ? OE1 GLU A 15 1 -ATOM 118 O OE2 . GLU A 1 15 . 31.675 18.255 32.749 1 22.88 ? OE2 GLU A 15 1 -ATOM 119 N N . THR A 1 16 . 31.962 21.662 28.166 1 10.94 ? N THR A 16 1 -ATOM 120 C CA . THR A 1 16 . 32.59 22.952 28.314 1 12.35 ? CA THR A 16 1 -ATOM 121 C C . THR A 1 16 . 31.657 23.748 29.154 1 11.69 ? C THR A 16 1 -ATOM 122 O O . THR A 1 16 . 30.56 23.313 29.424 1 9.43 ? O THR A 16 1 -ATOM 123 C CB . THR A 1 16 . 32.843 23.745 27.02 1 13.36 ? CB THR A 16 1 -ATOM 124 O OG1 . THR A 1 16 . 31.691 23.719 26.139 1 16.26 ? OG1 THR A 16 1 -ATOM 125 C CG2 . THR A 1 16 . 34.01 23.231 26.342 1 20.68 ? CG2 THR A 16 1 -ATOM 126 N N . THR A 1 17 . 32.102 24.933 29.549 1 12.87 ? N THR A 17 1 -ATOM 127 C CA . THR A 1 17 . 31.337 25.872 30.369 1 13.13 ? CA THR A 17 1 -ATOM 128 C C . THR A 1 17 . 31.442 27.293 29.794 1 15.23 ? C THR A 17 1 -ATOM 129 O O . THR A 1 17 . 32.28 27.575 28.937 1 12.64 ? O THR A 17 1 -ATOM 130 C CB . THR A 1 17 . 31.906 25.957 31.777 1 13.66 ? CB THR A 17 1 -ATOM 131 O OG1 . THR A 1 17 . 33.175 26.606 31.73 1 12.04 ? OG1 THR A 17 1 -ATOM 132 C CG2 . THR A 1 17 . 32.089 24.59 32.337 1 12.62 ? CG2 THR A 17 1 -ATOM 133 N N . THR A 1 18 . 30.56 28.182 30.238 1 13.46 ? N THR A 18 1 -ATOM 134 C CA . THR A 1 18 . 30.648 29.569 29.782 1 16.1 ? CA THR A 18 1 -ATOM 135 C C . THR A 1 18 . 30.183 30.439 30.924 1 15.95 ? C THR A 18 1 -ATOM 136 O O . THR A 1 18 . 29.659 29.918 31.883 1 16 ? O THR A 18 1 -ATOM 137 C CB . THR A 1 18 . 29.809 29.875 28.486 1 15.44 ? CB THR A 18 1 -ATOM 138 O OG1 . THR A 1 18 . 30.308 31.072 27.882 1 14.31 ? OG1 THR A 18 1 -ATOM 139 C CG2 . THR A 1 18 . 28.342 30.07 28.789 1 15.16 ? CG2 THR A 18 1 -ATOM 140 N N . GLU A 1 19 . 30.512 31.719 30.863 1 14.78 ? N GLU A 19 1 -ATOM 141 C CA . GLU A 1 19 . 30.112 32.696 31.87 1 18.12 ? CA GLU A 19 1 -ATOM 142 C C . GLU A 1 19 . 29.09 33.566 31.129 1 14.65 ? C GLU A 19 1 -ATOM 143 O O . GLU A 1 19 . 29.308 33.925 29.998 1 16.84 ? O GLU A 19 1 -ATOM 144 C CB . GLU A 1 19 . 31.332 33.552 32.303 1 22.39 ? CB GLU A 19 1 -ATOM 145 C CG . GLU A 1 19 . 31.413 33.99 33.814 1 28.69 ? CG GLU A 19 1 -ATOM 146 C CD . GLU A 1 19 . 30.348 35.085 34.267 1 35.12 ? CD GLU A 19 1 -ATOM 147 O OE1 . GLU A 1 19 . 29.864 35.904 33.419 1 35.81 ? OE1 GLU A 19 1 -ATOM 148 O OE2 . GLU A 1 19 . 30.01 35.143 35.495 1 33.84 ? OE2 GLU A 19 1 -ATOM 149 N N . ALA A 1 20 . 27.93 33.807 31.698 1 11.79 ? N ALA A 20 1 -ATOM 150 C CA . ALA A 1 20 . 26.954 34.653 31.011 1 11.11 ? CA ALA A 20 1 -ATOM 151 C C . ALA A 1 20 . 25.998 35.271 32.023 1 11.25 ? C ALA A 20 1 -ATOM 152 O O . ALA A 1 20 . 25.861 34.745 33.095 1 10.25 ? O ALA A 20 1 -ATOM 153 C CB . ALA A 1 20 . 26.175 33.859 29.917 1 10.3 ? CB ALA A 20 1 -ATOM 154 N N . VAL A 1 21 . 25.406 36.414 31.687 1 11.64 ? N VAL A 21 1 -ATOM 155 C CA . VAL A 1 21 . 24.428 37.125 32.548 1 13.5 ? CA VAL A 21 1 -ATOM 156 C C . VAL A 1 21 . 23.176 36.342 32.872 1 13.35 ? C VAL A 21 1 -ATOM 157 O O . VAL A 1 21 . 22.648 36.441 33.968 1 13.8 ? O VAL A 21 1 -ATOM 158 C CB . VAL A 1 21 . 23.894 38.488 31.924 1 15 ? CB VAL A 21 1 -ATOM 159 C CG1 . VAL A 1 21 . 24.715 39.622 32.402 1 13.17 ? CG1 VAL A 21 1 -ATOM 160 C CG2 . VAL A 1 21 . 23.842 38.429 30.361 1 13.88 ? CG2 VAL A 21 1 -ATOM 161 N N . ASP A 1 22 . 22.687 35.605 31.888 1 12.32 ? N ASP A 22 1 -ATOM 162 C CA . ASP A 1 22 . 21.526 34.808 32.082 1 10.39 ? CA ASP A 22 1 -ATOM 163 C C . ASP A 1 22 . 21.599 33.656 31.128 1 10.5 ? C ASP A 22 1 -ATOM 164 O O . ASP A 1 22 . 22.473 33.619 30.238 1 9.88 ? O ASP A 22 1 -ATOM 165 C CB . ASP A 1 22 . 20.243 35.635 31.899 1 11.05 ? CB ASP A 22 1 -ATOM 166 C CG . ASP A 1 22 . 20.069 36.16 30.52 1 12.87 ? CG ASP A 22 1 -ATOM 167 O OD1 . ASP A 1 22 . 20.821 35.774 29.607 1 16.26 ? OD1 ASP A 22 1 -ATOM 168 O OD2 . ASP A 1 22 . 19.146 36.972 30.319 1 16.47 ? OD2 ASP A 22 1 -ATOM 169 N N . ALA A 1 23 . 20.639 32.74 31.269 1 8.81 ? N ALA A 23 1 -ATOM 170 C CA . ALA A 1 23 . 20.561 31.551 30.43 1 6.96 ? CA ALA A 23 1 -ATOM 171 C C . ALA A 1 23 . 20.321 31.844 28.931 1 5.92 ? C ALA A 23 1 -ATOM 172 O O . ALA A 1 23 . 20.824 31.129 28.069 1 8.19 ? O ALA A 23 1 -ATOM 173 C CB . ALA A 1 23 . 19.503 30.664 30.975 1 6.19 ? CB ALA A 23 1 -ATOM 174 N N . ALA A 1 24 . 19.543 32.88 28.616 1 4.63 ? N ALA A 24 1 -ATOM 175 C CA . ALA A 1 24 . 19.237 33.239 27.218 1 5.79 ? CA ALA A 24 1 -ATOM 176 C C . ALA A 1 24 . 20.49 33.638 26.483 1 6.14 ? C ALA A 24 1 -ATOM 177 O O . ALA A 1 24 . 20.643 33.37 25.31 1 8.27 ? O ALA A 24 1 -ATOM 178 C CB . ALA A 1 24 . 18.162 34.389 27.146 1 5.79 ? CB ALA A 24 1 -ATOM 179 N N . THR A 1 25 . 21.411 34.253 27.198 1 7.31 ? N THR A 25 1 -ATOM 180 C CA . THR A 1 25 . 22.642 34.663 26.595 1 7.61 ? CA THR A 25 1 -ATOM 181 C C . THR A 1 25 . 23.567 33.44 26.482 1 8.29 ? C THR A 25 1 -ATOM 182 O O . THR A 1 25 . 24.19 33.275 25.431 1 7.36 ? O THR A 25 1 -ATOM 183 C CB . THR A 1 25 . 23.295 35.861 27.358 1 9.87 ? CB THR A 25 1 -ATOM 184 O OG1 . THR A 1 25 . 22.376 36.945 27.421 1 15.99 ? OG1 THR A 25 1 -ATOM 185 C CG2 . THR A 1 25 . 24.436 36.418 26.612 1 7.83 ? CG2 THR A 25 1 -ATOM 186 N N . ALA A 1 26 . 23.632 32.57 27.51 1 6.72 ? N ALA A 26 1 -ATOM 187 C CA . ALA A 1 26 . 24.499 31.366 27.438 1 9.64 ? CA ALA A 26 1 -ATOM 188 C C . ALA A 1 26 . 24.004 30.444 26.304 1 10.01 ? C ALA A 26 1 -ATOM 189 O O . ALA A 1 26 . 24.795 29.892 25.55 1 10.49 ? O ALA A 26 1 -ATOM 190 C CB . ALA A 1 26 . 24.554 30.606 28.803 1 6.87 ? CB ALA A 26 1 -ATOM 191 N N . GLU A 1 27 . 22.691 30.378 26.13 1 11.53 ? N GLU A 27 1 -ATOM 192 C CA . GLU A 1 27 . 22.101 29.59 25.062 1 13.51 ? CA GLU A 27 1 -ATOM 193 C C . GLU A 1 27 . 22.566 30.053 23.656 1 13.78 ? C GLU A 27 1 -ATOM 194 O O . GLU A 1 27 . 22.766 29.254 22.743 1 12.47 ? O GLU A 27 1 -ATOM 195 C CB . GLU A 1 27 . 20.587 29.689 25.128 1 15.82 ? CB GLU A 27 1 -ATOM 196 C CG . GLU A 1 27 . 19.983 28.615 24.307 1 21.36 ? CG GLU A 27 1 -ATOM 197 C CD . GLU A 1 27 . 18.724 29.052 23.663 1 23.07 ? CD GLU A 27 1 -ATOM 198 O OE1 . GLU A 1 27 . 17.994 29.851 24.306 1 25.94 ? OE1 GLU A 27 1 -ATOM 199 O OE2 . GLU A 1 27 . 18.462 28.615 22.521 1 23.21 ? OE2 GLU A 27 1 -ATOM 200 N N . LYS A 1 28 . 22.706 31.36 23.469 1 15.31 ? N LYS A 28 1 -ATOM 201 C CA . LYS A 1 28 . 23.18 31.932 22.177 1 13.12 ? CA LYS A 28 1 -ATOM 202 C C . LYS A 1 28 . 24.673 31.606 21.915 1 9.68 ? C LYS A 28 1 -ATOM 203 O O . LYS A 1 28 . 25.086 31.328 20.783 1 8.78 ? O LYS A 28 1 -ATOM 204 C CB . LYS A 1 28 . 23.016 33.469 22.176 1 14.23 ? CB LYS A 28 1 -ATOM 205 C CG . LYS A 1 28 . 21.731 34.012 21.531 1 17.45 ? CG LYS A 28 1 -ATOM 206 C CD . LYS A 1 28 . 20.541 34.029 22.467 1 18.36 ? CD LYS A 28 1 -ATOM 207 C CE . LYS A 1 28 . 19.944 32.644 22.755 1 18.63 ? CE LYS A 28 1 -ATOM 208 N NZ . LYS A 1 28 . 18.765 32.791 23.728 1 17.32 ? NZ LYS A 28 1 -ATOM 209 N N . VAL A 1 29 . 25.471 31.76 22.968 1 8.13 ? N VAL A 29 1 -ATOM 210 C CA . VAL A 1 29 . 26.885 31.515 22.924 1 7.52 ? CA VAL A 29 1 -ATOM 211 C C . VAL A 1 29 . 27.147 30.039 22.603 1 6.4 ? C VAL A 29 1 -ATOM 212 O O . VAL A 1 29 . 27.99 29.702 21.779 1 6.66 ? O VAL A 29 1 -ATOM 213 C CB . VAL A 1 29 . 27.486 31.891 24.303 1 7.57 ? CB VAL A 29 1 -ATOM 214 C CG1 . VAL A 1 29 . 28.899 31.37 24.409 1 7.89 ? CG1 VAL A 29 1 -ATOM 215 C CG2 . VAL A 1 29 . 27.458 33.433 24.518 1 6.16 ? CG2 VAL A 29 1 -ATOM 216 N N . PHE A 1 30 . 26.469 29.154 23.332 1 7.49 ? N PHE A 30 1 -ATOM 217 C CA . PHE A 1 30 . 26.606 27.707 23.121 1 7.01 ? CA PHE A 30 1 -ATOM 218 C C . PHE A 1 30 . 26.136 27.212 21.756 1 7.21 ? C PHE A 30 1 -ATOM 219 O O . PHE A 1 30 . 26.792 26.404 21.128 1 6.86 ? O PHE A 30 1 -ATOM 220 C CB . PHE A 1 30 . 25.893 26.96 24.228 1 7 ? CB PHE A 30 1 -ATOM 221 C CG . PHE A 1 30 . 26.665 26.936 25.514 1 6.05 ? CG PHE A 30 1 -ATOM 222 C CD1 . PHE A 1 30 . 28.066 26.954 25.508 1 4.97 ? CD1 PHE A 30 1 -ATOM 223 C CD2 . PHE A 1 30 . 26.001 26.842 26.735 1 4.7 ? CD2 PHE A 30 1 -ATOM 224 C CE1 . PHE A 1 30 . 28.786 26.873 26.704 1 3.77 ? CE1 PHE A 30 1 -ATOM 225 C CE2 . PHE A 1 30 . 26.724 26.763 27.921 1 4.13 ? CE2 PHE A 30 1 -ATOM 226 C CZ . PHE A 1 30 . 28.118 26.78 27.893 1 2.96 ? CZ PHE A 30 1 -ATOM 227 N N . LYS A 1 31 . 25.007 27.737 21.289 1 9.22 ? N LYS A 31 1 -ATOM 228 C CA . LYS A 1 31 . 24.465 27.362 20.003 1 9.74 ? CA LYS A 31 1 -ATOM 229 C C . LYS A 1 31 . 25.468 27.769 18.973 1 10.79 ? C LYS A 31 1 -ATOM 230 O O . LYS A 1 31 . 25.726 27.029 18.067 1 11.32 ? O LYS A 31 1 -ATOM 231 C CB . LYS A 1 31 . 23.164 28.08 19.739 1 10.71 ? CB LYS A 31 1 -ATOM 232 C CG . LYS A 1 31 . 21.959 27.448 20.394 1 15 ? CG LYS A 31 1 -ATOM 233 C CD . LYS A 1 31 . 21.142 26.655 19.377 1 18.28 ? CD LYS A 31 1 -ATOM 234 C CE . LYS A 1 31 . 19.63 26.666 19.692 1 20.79 ? CE LYS A 31 1 -ATOM 235 N NZ . LYS A 1 31 . 19.282 26.112 21.023 1 19.71 ? NZ LYS A 31 1 -ATOM 236 N N . GLN A 1 32 . 26.018 28.963 19.088 1 9.07 ? N GLN A 32 1 -ATOM 237 C CA . GLN A 1 32 . 27.009 29.365 18.127 1 10.35 ? CA GLN A 32 1 -ATOM 238 C C . GLN A 1 32 . 28.242 28.433 18.223 1 9.02 ? C GLN A 32 1 -ATOM 239 O O . GLN A 1 32 . 28.852 28.088 17.218 1 8.6 ? O GLN A 32 1 -ATOM 240 C CB . GLN A 1 32 . 27.401 30.823 18.374 1 11.61 ? CB GLN A 32 1 -ATOM 241 C CG . GLN A 1 32 . 28.527 31.312 17.476 1 11.88 ? CG GLN A 32 1 -ATOM 242 C CD . GLN A 1 32 . 28.791 32.813 17.645 1 13.83 ? CD GLN A 32 1 -ATOM 243 O OE1 . GLN A 1 32 . 28.586 33.364 18.726 1 15.61 ? OE1 GLN A 32 1 -ATOM 244 N NE2 . GLN A 1 32 . 29.172 33.478 16.571 1 12.31 ? NE2 GLN A 32 1 -ATOM 245 N N . TYR A 1 33 . 28.656 28.118 19.451 1 8.39 ? N TYR A 33 1 -ATOM 246 C CA . TYR A 1 33 . 29.773 27.206 19.679 1 6.4 ? CA TYR A 33 1 -ATOM 247 C C . TYR A 1 33 . 29.509 25.862 18.941 1 5.87 ? C TYR A 33 1 -ATOM 248 O O . TYR A 1 33 . 30.32 25.372 18.149 1 4.8 ? O TYR A 33 1 -ATOM 249 C CB . TYR A 1 33 . 29.946 27 21.178 1 6.67 ? CB TYR A 33 1 -ATOM 250 C CG . TYR A 1 33 . 31.015 25.993 21.502 1 6.95 ? CG TYR A 33 1 -ATOM 251 C CD1 . TYR A 1 33 . 32.355 26.338 21.387 1 7.21 ? CD1 TYR A 33 1 -ATOM 252 C CD2 . TYR A 1 33 . 30.689 24.686 21.899 1 6.38 ? CD2 TYR A 33 1 -ATOM 253 C CE1 . TYR A 1 33 . 33.374 25.417 21.669 1 9.67 ? CE1 TYR A 33 1 -ATOM 254 C CE2 . TYR A 1 33 . 31.674 23.754 22.177 1 6.66 ? CE2 TYR A 33 1 -ATOM 255 C CZ . TYR A 1 33 . 33.027 24.125 22.072 1 8.46 ? CZ TYR A 33 1 -ATOM 256 O OH . TYR A 1 33 . 34.039 23.263 22.408 1 9.4 ? OH TYR A 33 1 -ATOM 257 N N . ALA A 1 34 . 28.338 25.291 19.178 1 7.5 ? N ALA A 34 1 -ATOM 258 C CA . ALA A 1 34 . 27.92 24.046 18.545 1 8.91 ? CA ALA A 34 1 -ATOM 259 C C . ALA A 1 34 . 27.949 24.186 17.057 1 10.19 ? C ALA A 34 1 -ATOM 260 O O . ALA A 1 34 . 28.45 23.338 16.372 1 9.37 ? O ALA A 34 1 -ATOM 261 C CB . ALA A 1 34 . 26.496 23.71 18.955 1 7.87 ? CB ALA A 34 1 -ATOM 262 N N . ASN A 1 35 . 27.384 25.279 16.574 1 11.9 ? N ASN A 35 1 -ATOM 263 C CA . ASN A 1 35 . 27.274 25.513 15.161 1 14.15 ? CA ASN A 35 1 -ATOM 264 C C . ASN A 1 35 . 28.633 25.557 14.477 1 13.33 ? C ASN A 35 1 -ATOM 265 O O . ASN A 1 35 . 28.846 24.927 13.425 1 10.58 ? O ASN A 35 1 -ATOM 266 C CB . ASN A 1 35 . 26.487 26.81 14.914 1 20.29 ? CB ASN A 35 1 -ATOM 267 C CG . ASN A 1 35 . 24.932 26.584 14.787 1 23.22 ? CG ASN A 35 1 -ATOM 268 O OD1 . ASN A 1 35 . 24.309 27.068 13.8 1 26.74 ? OD1 ASN A 35 1 -ATOM 269 N ND2 . ASN A 1 35 . 24.299 25.919 15.788 1 21.89 ? ND2 ASN A 35 1 -ATOM 270 N N . ASP A 1 36 . 29.55 26.286 15.097 1 10.96 ? N ASP A 36 1 -ATOM 271 C CA . ASP A 1 36 . 30.915 26.41 14.554 1 14.21 ? CA ASP A 36 1 -ATOM 272 C C . ASP A 1 36 . 31.675 25.089 14.557 1 9.94 ? C ASP A 36 1 -ATOM 273 O O . ASP A 1 36 . 32.637 24.933 13.842 1 11.88 ? O ASP A 36 1 -ATOM 274 C CB . ASP A 1 36 . 31.737 27.446 15.334 1 13.3 ? CB ASP A 36 1 -ATOM 275 C CG . ASP A 1 36 . 31.27 28.892 15.089 1 19.45 ? CG ASP A 36 1 -ATOM 276 O OD1 . ASP A 1 36 . 30.426 29.168 14.164 1 17.91 ? OD1 ASP A 36 1 -ATOM 277 O OD2 . ASP A 1 36 . 31.807 29.761 15.834 1 18.68 ? OD2 ASP A 36 1 -ATOM 278 N N . ASN A 1 37 . 31.237 24.154 15.379 1 10.35 ? N ASN A 37 1 -ATOM 279 C CA . ASN A 1 37 . 31.91 22.848 15.442 1 10.08 ? CA ASN A 37 1 -ATOM 280 C C . ASN A 1 37 . 31.204 21.703 14.705 1 8.66 ? C ASN A 37 1 -ATOM 281 O O . ASN A 1 37 . 31.499 20.533 14.96 1 10.48 ? O ASN A 37 1 -ATOM 282 C CB . ASN A 1 37 . 32.217 22.467 16.889 1 9.61 ? CB ASN A 37 1 -ATOM 283 C CG . ASN A 1 37 . 33.232 23.388 17.496 1 10.43 ? CG ASN A 37 1 -ATOM 284 O OD1 . ASN A 1 37 . 34.434 23.277 17.242 1 10.4 ? OD1 ASN A 37 1 -ATOM 285 N ND2 . ASN A 1 37 . 32.76 24.275 18.36 1 10.05 ? ND2 ASN A 37 1 -ATOM 286 N N . GLY A 1 38 . 30.255 22.076 13.847 1 7.27 ? N GLY A 38 1 -ATOM 287 C CA . GLY A 1 38 . 29.514 21.139 13.029 1 9.93 ? CA GLY A 38 1 -ATOM 288 C C . GLY A 1 38 . 28.423 20.349 13.682 1 9.26 ? C GLY A 38 1 -ATOM 289 O O . GLY A 1 38 . 27.981 19.401 13.076 1 10.47 ? O GLY A 38 1 -ATOM 290 N N . VAL A 1 39 . 28.018 20.735 14.895 1 9.93 ? N VAL A 39 1 -ATOM 291 C CA . VAL A 1 39 . 26.982 20.057 15.673 1 11.05 ? CA VAL A 39 1 -ATOM 292 C C . VAL A 1 39 . 25.623 20.694 15.351 1 13.05 ? C VAL A 39 1 -ATOM 293 O O . VAL A 1 39 . 25.519 21.922 15.147 1 13.46 ? O VAL A 39 1 -ATOM 294 C CB . VAL A 1 39 . 27.256 20.156 17.179 1 11.99 ? CB VAL A 39 1 -ATOM 295 C CG1 . VAL A 1 39 . 26.19 19.386 17.992 1 11.01 ? CG1 VAL A 39 1 -ATOM 296 C CG2 . VAL A 1 39 . 28.618 19.623 17.474 1 12.09 ? CG2 VAL A 39 1 -ATOM 297 N N . ASP A 1 40 . 24.627 19.823 15.237 1 12.8 ? N ASP A 40 1 -ATOM 298 C CA . ASP A 1 40 . 23.273 20.165 14.911 1 16.78 ? CA ASP A 40 1 -ATOM 299 C C . ASP A 1 40 . 22.364 19.106 15.56 1 16.32 ? C ASP A 40 1 -ATOM 300 O O . ASP A 1 40 . 22.057 18.08 14.952 1 17.59 ? O ASP A 40 1 -ATOM 301 C CB . ASP A 1 40 . 23.133 20.098 13.39 1 19.31 ? CB ASP A 40 1 -ATOM 302 C CG . ASP A 1 40 . 21.922 20.848 12.87 1 21.54 ? CG ASP A 40 1 -ATOM 303 O OD1 . ASP A 1 40 . 21.056 21.312 13.659 1 21.98 ? OD1 ASP A 40 1 -ATOM 304 O OD2 . ASP A 1 40 . 21.855 20.98 11.621 1 27 ? OD2 ASP A 40 1 -ATOM 305 N N . GLY A 1 41 . 21.933 19.353 16.786 1 15.38 ? N GLY A 41 1 -ATOM 306 C CA . GLY A 1 41 . 21.07 18.388 17.442 1 14.55 ? CA GLY A 41 1 -ATOM 307 C C . GLY A 1 41 . 19.901 18.972 18.209 1 13.77 ? C GLY A 41 1 -ATOM 308 O O . GLY A 1 41 . 19.433 20.086 17.91 1 14.74 ? O GLY A 41 1 -ATOM 309 N N . GLU A 1 42 . 19.37 18.175 19.131 1 14.03 ? N GLU A 42 1 -ATOM 310 C CA . GLU A 1 42 . 18.281 18.573 20.025 1 15.15 ? CA GLU A 42 1 -ATOM 311 C C . GLU A 1 42 . 18.921 19.078 21.289 1 13.42 ? C GLU A 42 1 -ATOM 312 O O . GLU A 1 42 . 19.965 18.538 21.727 1 9.64 ? O GLU A 42 1 -ATOM 313 C CB . GLU A 1 42 . 17.322 17.413 20.322 1 20.68 ? CB GLU A 42 1 -ATOM 314 C CG . GLU A 1 42 . 16.345 17.122 19.126 1 26.2 ? CG GLU A 42 1 -ATOM 315 C CD . GLU A 1 42 . 15.372 15.922 19.367 1 32.15 ? CD GLU A 42 1 -ATOM 316 O OE1 . GLU A 1 42 . 15.872 14.87 19.871 1 32.35 ? OE1 GLU A 42 1 -ATOM 317 O OE2 . GLU A 1 42 . 14.131 16.03 19.037 1 31.5 ? OE2 GLU A 42 1 -ATOM 318 N N . TRP A 1 43 . 18.309 20.141 21.827 1 10.4 ? N TRP A 43 1 -ATOM 319 C CA . TRP A 1 43 . 18.773 20.83 23.024 1 8.43 ? CA TRP A 43 1 -ATOM 320 C C . TRP A 1 43 . 17.801 20.725 24.189 1 9.38 ? C TRP A 43 1 -ATOM 321 O O . TRP A 1 43 . 16.599 20.589 24.004 1 10.29 ? O TRP A 43 1 -ATOM 322 C CB . TRP A 1 43 . 18.916 22.349 22.77 1 8.33 ? CB TRP A 43 1 -ATOM 323 C CG . TRP A 1 43 . 19.989 22.746 21.842 1 7.08 ? CG TRP A 43 1 -ATOM 324 C CD1 . TRP A 1 43 . 19.989 22.613 20.492 1 8.75 ? CD1 TRP A 43 1 -ATOM 325 C CD2 . TRP A 1 43 . 21.244 23.292 22.191 1 7.08 ? CD2 TRP A 43 1 -ATOM 326 N NE1 . TRP A 1 43 . 21.189 23.036 19.961 1 5.66 ? NE1 TRP A 43 1 -ATOM 327 C CE2 . TRP A 1 43 . 21.986 23.454 20.988 1 7.08 ? CE2 TRP A 43 1 -ATOM 328 C CE3 . TRP A 1 43 . 21.832 23.656 23.393 1 7.63 ? CE3 TRP A 43 1 -ATOM 329 C CZ2 . TRP A 1 43 . 23.285 23.97 20.963 1 7 ? CZ2 TRP A 43 1 -ATOM 330 C CZ3 . TRP A 1 43 . 23.098 24.165 23.376 1 7.78 ? CZ3 TRP A 43 1 -ATOM 331 C CH2 . TRP A 1 43 . 23.826 24.318 22.161 1 7.62 ? CH2 TRP A 43 1 -ATOM 332 N N . THR A 1 44 . 18.341 20.86 25.397 1 6.73 ? N THR A 44 1 -ATOM 333 C CA . THR A 1 44 . 17.568 20.872 26.6 1 7.41 ? CA THR A 44 1 -ATOM 334 C C . THR A 1 44 . 18.37 21.803 27.458 1 7.32 ? C THR A 44 1 -ATOM 335 O O . THR A 1 44 . 19.564 22.051 27.162 1 8.3 ? O THR A 44 1 -ATOM 336 C CB . THR A 1 44 . 17.477 19.475 27.325 1 6.34 ? CB THR A 44 1 -ATOM 337 O OG1 . THR A 1 44 . 18.768 19.116 27.844 1 8.74 ? OG1 THR A 44 1 -ATOM 338 C CG2 . THR A 1 44 . 16.965 18.331 26.382 1 4.42 ? CG2 THR A 44 1 -ATOM 339 N N . TYR A 1 45 . 17.707 22.422 28.434 1 6.33 ? N TYR A 45 1 -ATOM 340 C CA . TYR A 1 45 . 18.383 23.292 29.382 1 6.58 ? CA TYR A 45 1 -ATOM 341 C C . TYR A 1 45 . 17.795 22.951 30.738 1 6.24 ? C TYR A 45 1 -ATOM 342 O O . TYR A 1 45 . 16.594 22.894 30.859 1 8.16 ? O TYR A 45 1 -ATOM 343 C CB . TYR A 1 45 . 18.153 24.791 29.123 1 6.32 ? CB TYR A 45 1 -ATOM 344 C CG . TYR A 1 45 . 18.63 25.646 30.3 1 7.32 ? CG TYR A 45 1 -ATOM 345 C CD1 . TYR A 1 45 . 19.993 25.696 30.649 1 6 ? CD1 TYR A 45 1 -ATOM 346 C CD2 . TYR A 1 45 . 17.716 26.386 31.095 1 7.75 ? CD2 TYR A 45 1 -ATOM 347 C CE1 . TYR A 1 45 . 20.434 26.427 31.704 1 6.17 ? CE1 TYR A 45 1 -ATOM 348 C CE2 . TYR A 1 45 . 18.165 27.134 32.159 1 8.06 ? CE2 TYR A 45 1 -ATOM 349 C CZ . TYR A 1 45 . 19.531 27.144 32.461 1 6.37 ? CZ TYR A 45 1 -ATOM 350 O OH . TYR A 1 45 . 20.003 27.846 33.547 1 7.74 ? OH TYR A 45 1 -ATOM 351 N N . ASP A 1 46 . 18.637 22.717 31.736 1 6.35 ? N ASP A 46 1 -ATOM 352 C CA . ASP A 1 46 . 18.189 22.395 33.084 1 6.11 ? CA ASP A 46 1 -ATOM 353 C C . ASP A 1 46 . 18.762 23.422 34.046 1 7.28 ? C ASP A 46 1 -ATOM 354 O O . ASP A 1 46 . 19.956 23.402 34.423 1 4.29 ? O ASP A 46 1 -ATOM 355 C CB . ASP A 1 46 . 18.608 20.963 33.468 1 7.79 ? CB ASP A 46 1 -ATOM 356 C CG . ASP A 1 46 . 18.147 20.542 34.888 1 7.44 ? CG ASP A 46 1 -ATOM 357 O OD1 . ASP A 1 46 . 17.386 21.232 35.591 1 5 ? OD1 ASP A 46 1 -ATOM 358 O OD2 . ASP A 1 46 . 18.551 19.448 35.27 1 9.02 ? OD2 ASP A 46 1 -ATOM 359 N N . ASP A 1 47 . 17.863 24.323 34.417 1 6.68 ? N ASP A 47 1 -ATOM 360 C CA . ASP A 1 47 . 18.172 25.408 35.266 1 8.65 ? CA ASP A 47 1 -ATOM 361 C C . ASP A 1 47 . 18.635 24.975 36.607 1 10.53 ? C ASP A 47 1 -ATOM 362 O O . ASP A 1 47 . 19.331 25.709 37.256 1 10.1 ? O ASP A 47 1 -ATOM 363 C CB . ASP A 1 47 . 16.952 26.264 35.444 1 9.98 ? CB ASP A 47 1 -ATOM 364 C CG . ASP A 1 47 . 17.294 27.588 36.038 1 13.07 ? CG ASP A 47 1 -ATOM 365 O OD1 . ASP A 1 47 . 18.182 28.307 35.517 1 11.85 ? OD1 ASP A 47 1 -ATOM 366 O OD2 . ASP A 1 47 . 16.71 27.874 37.084 1 14.99 ? OD2 ASP A 47 1 -ATOM 367 N N . ALA A 1 48 . 18.101 23.853 37.083 1 10.72 ? N ALA A 48 1 -ATOM 368 C CA . ALA A 1 48 . 18.486 23.283 38.379 1 9.53 ? CA ALA A 48 1 -ATOM 369 C C . ALA A 1 48 . 19.959 22.961 38.447 1 8.82 ? C ALA A 48 1 -ATOM 370 O O . ALA A 1 48 . 20.523 22.904 39.507 1 10.62 ? O ALA A 48 1 -ATOM 371 C CB . ALA A 1 48 . 17.677 22.025 38.647 1 11.11 ? CB ALA A 48 1 -ATOM 372 N N . THR A 1 49 . 20.603 22.757 37.316 1 9.51 ? N THR A 49 1 -ATOM 373 C CA . THR A 1 49 . 22.029 22.47 37.333 1 8.4 ? CA THR A 49 1 -ATOM 374 C C . THR A 1 49 . 22.748 23.435 36.395 1 7.98 ? C THR A 49 1 -ATOM 375 O O . THR A 1 49 . 23.941 23.324 36.212 1 9.23 ? O THR A 49 1 -ATOM 376 C CB . THR A 1 49 . 22.345 20.975 36.913 1 8.34 ? CB THR A 49 1 -ATOM 377 O OG1 . THR A 1 49 . 22.05 20.81 35.525 1 6.78 ? OG1 THR A 49 1 -ATOM 378 C CG2 . THR A 1 49 . 21.457 19.962 37.702 1 6.32 ? CG2 THR A 49 1 -ATOM 379 N N . LYS A 1 50 . 22.009 24.371 35.8 1 7.05 ? N LYS A 50 1 -ATOM 380 C CA . LYS A 1 50 . 22.552 25.343 34.873 1 8.49 ? CA LYS A 50 1 -ATOM 381 C C . LYS A 1 50 . 23.219 24.646 33.689 1 8.72 ? C LYS A 50 1 -ATOM 382 O O . LYS A 1 50 . 24.189 25.166 33.141 1 8.51 ? O LYS A 50 1 -ATOM 383 C CB . LYS A 1 50 . 23.573 26.291 35.57 1 11.17 ? CB LYS A 50 1 -ATOM 384 C CG . LYS A 1 50 . 23.028 27.095 36.711 1 10.11 ? CG LYS A 50 1 -ATOM 385 C CD . LYS A 1 50 . 21.867 27.977 36.252 1 13.37 ? CD LYS A 50 1 -ATOM 386 C CE . LYS A 1 50 . 21.143 28.68 37.483 1 12.12 ? CE LYS A 50 1 -ATOM 387 N NZ . LYS A 1 50 . 20.184 29.77 37.143 1 15.16 ? NZ LYS A 50 1 -ATOM 388 N N . THR A 1 51 . 22.654 23.514 33.255 1 7.92 ? N THR A 51 1 -ATOM 389 C CA . THR A 1 51 . 23.221 22.742 32.156 1 7.95 ? CA THR A 51 1 -ATOM 390 C C . THR A 1 51 . 22.435 22.672 30.858 1 5.18 ? C THR A 51 1 -ATOM 391 O O . THR A 1 51 . 21.235 22.535 30.854 1 3.35 ? O THR A 51 1 -ATOM 392 C CB . THR A 1 51 . 23.549 21.266 32.6 1 8.94 ? CB THR A 51 1 -ATOM 393 O OG1 . THR A 1 51 . 24.412 21.311 33.73 1 10.06 ? OG1 THR A 51 1 -ATOM 394 C CG2 . THR A 1 51 . 24.324 20.498 31.477 1 11.18 ? CG2 THR A 51 1 -ATOM 395 N N . PHE A 1 52 . 23.152 22.808 29.756 1 3.88 ? N PHE A 52 1 -ATOM 396 C CA . PHE A 1 52 . 22.568 22.724 28.431 1 5.35 ? CA PHE A 52 1 -ATOM 397 C C . PHE A 1 52 . 23.139 21.448 27.853 1 5.94 ? C PHE A 52 1 -ATOM 398 O O . PHE A 1 52 . 24.298 21.11 28.112 1 7.6 ? O PHE A 52 1 -ATOM 399 C CB . PHE A 1 52 . 23.077 23.828 27.506 1 4.56 ? CB PHE A 52 1 -ATOM 400 C CG . PHE A 1 52 . 22.484 25.155 27.766 1 5.8 ? CG PHE A 52 1 -ATOM 401 C CD1 . PHE A 1 52 . 22.962 25.955 28.824 1 6.35 ? CD1 PHE A 52 1 -ATOM 402 C CD2 . PHE A 1 52 . 21.488 25.63 26.943 1 6.87 ? CD2 PHE A 52 1 -ATOM 403 C CE1 . PHE A 1 52 . 22.46 27.242 29.066 1 6.65 ? CE1 PHE A 52 1 -ATOM 404 C CE2 . PHE A 1 52 . 20.946 26.9 27.152 1 7.62 ? CE2 PHE A 52 1 -ATOM 405 C CZ . PHE A 1 52 . 21.438 27.729 28.226 1 7.28 ? CZ PHE A 52 1 -ATOM 406 N N . THR A 1 53 . 22.359 20.748 27.052 1 5.79 ? N THR A 53 1 -ATOM 407 C CA . THR A 1 53 . 22.885 19.561 26.411 1 5.92 ? CA THR A 53 1 -ATOM 408 C C . THR A 1 53 . 22.419 19.621 24.955 1 5.65 ? C THR A 53 1 -ATOM 409 O O . THR A 1 53 . 21.309 20.087 24.688 1 6.81 ? O THR A 53 1 -ATOM 410 C CB . THR A 1 53 . 22.4 18.226 27.067 1 5.16 ? CB THR A 53 1 -ATOM 411 O OG1 . THR A 1 53 . 21.054 17.997 26.672 1 9.4 ? OG1 THR A 53 1 -ATOM 412 C CG2 . THR A 1 53 . 22.407 18.291 28.569 1 5.06 ? CG2 THR A 53 1 -ATOM 413 N N . VAL A 1 54 . 23.285 19.248 24.008 1 5.98 ? N VAL A 54 1 -ATOM 414 C CA . VAL A 1 54 . 22.856 19.172 22.598 1 5.44 ? CA VAL A 54 1 -ATOM 415 C C . VAL A 1 54 . 23.112 17.708 22.184 1 4.77 ? C VAL A 54 1 -ATOM 416 O O . VAL A 1 54 . 24.161 17.151 22.491 1 3.99 ? O VAL A 54 1 -ATOM 417 C CB . VAL A 1 54 . 23.576 20.167 21.671 1 3.09 ? CB VAL A 54 1 -ATOM 418 C CG1 . VAL A 1 54 . 25.091 20.092 21.843 1 3.65 ? CG1 VAL A 54 1 -ATOM 419 C CG2 . VAL A 1 54 . 23.136 19.922 20.206 1 5.1 ? CG2 VAL A 54 1 -ATOM 420 N N . THR A 1 55 . 22.21 17.134 21.421 1 5.48 ? N THR A 55 1 -ATOM 421 C CA . THR A 1 55 . 22.364 15.731 21.085 1 6.69 ? CA THR A 55 1 -ATOM 422 C C . THR A 1 55 . 22.039 15.472 19.632 1 8.52 ? C THR A 55 1 -ATOM 423 O O . THR A 1 55 . 20.995 15.86 19.189 1 12.3 ? O THR A 55 1 -ATOM 424 C CB . THR A 1 55 . 21.406 14.955 21.979 1 5.3 ? CB THR A 55 1 -ATOM 425 O OG1 . THR A 1 55 . 21.786 15.194 23.326 1 4.67 ? OG1 THR A 55 1 -ATOM 426 C CG2 . THR A 1 55 . 21.441 13.47 21.755 1 6 ? CG2 THR A 55 1 -ATOM 427 N N . GLU A 1 56 . 22.905 14.843 18.864 1 8.91 ? N GLU A 56 1 -ATOM 428 C CA . GLU A 1 56 . 22.553 14.567 17.468 1 13.22 ? CA GLU A 56 1 -ATOM 429 C C . GLU A 1 56 . 22.022 13.143 17.33 1 13.01 ? C GLU A 56 1 -ATOM 430 O O . GLU A 1 56 . 22.353 12.301 18.19 1 14.55 ? O GLU A 56 1 -ATOM 431 C CB . GLU A 1 56 . 23.736 14.723 16.538 1 13.01 ? CB GLU A 56 1 -ATOM 432 C CG . GLU A 1 56 . 24.277 16.065 16.47 1 14.87 ? CG GLU A 56 1 -ATOM 433 C CD . GLU A 1 56 . 25.43 16.161 15.494 1 15.68 ? CD GLU A 56 1 -ATOM 434 O OE1 . GLU A 1 56 . 26.403 15.371 15.576 1 17.54 ? OE1 GLU A 56 1 -ATOM 435 O OE2 . GLU A 1 56 . 25.381 17.081 14.664 1 18.6 ? OE2 GLU A 56 1 -ATOM 436 O OXT . GLU A 1 56 . 21.296 12.892 16.369 1 15.04 ? OXT GLU A 56 1 -HETATM 437 O O . HOH B 2 . . 20.045 17.338 24.112 1 3.04 ? O HOH A 57 1 -HETATM 438 O O . HOH B 2 . . 29.284 15.933 16.005 1 3.9 ? O HOH A 58 1 -HETATM 439 O O . HOH B 2 . . 30.968 17.869 15.018 0.94 11.86 ? O HOH A 59 1 -HETATM 440 O O . HOH B 2 . . 36.384 21.652 27.812 0.96 15.46 ? O HOH A 60 1 -HETATM 441 O O . HOH B 2 . . 17.058 34.117 30.636 0.91 16.69 ? O HOH A 61 1 -HETATM 442 O O . HOH B 2 . . 27.844 16.414 13.404 1 23.36 ? O HOH A 62 1 -HETATM 443 O O . HOH B 2 . . 18.404 38.643 27.967 1 23.63 ? O HOH A 63 1 -HETATM 444 O O . HOH B 2 . . 19.968 31.46 34.797 1 23.75 ? O HOH A 64 1 -HETATM 445 O O . HOH B 2 . . 18.201 18.566 37.695 0.95 22.19 ? O HOH A 65 1 -HETATM 446 O O . HOH B 2 . . 28.632 36.88 26.524 1 24.51 ? O HOH A 66 1 -HETATM 447 O O . HOH B 2 . . 24.32 18.322 34.892 0.95 23.33 ? O HOH A 67 1 -HETATM 448 O O . HOH B 2 . . 34.515 20.297 15.278 0.95 24.44 ? O HOH A 68 1 -HETATM 449 O O . HOH B 2 . . 25.264 17.638 11.962 1 26.96 ? O HOH A 69 1 -HETATM 450 O O . HOH B 2 . . 27.03 30.62 14.393 1 30.28 ? O HOH A 70 1 -HETATM 451 O O . HOH B 2 . . 34.649 12.834 25.632 0.98 31.24 ? O HOH A 71 1 -HETATM 452 O O . HOH B 2 . . 18.195 33.437 33.74 0.88 30.66 ? O HOH A 72 1 -HETATM 453 O O . HOH B 2 . . 15.996 28.545 27.866 1 38.23 ? O HOH A 73 1 -HETATM 454 O O . HOH B 2 . . 22.964 13.047 25.143 0.94 34.64 ? O HOH A 74 1 -HETATM 455 O O . HOH B 2 . . 36.309 21.652 20.246 1 43.01 ? O HOH A 75 1 -HETATM 456 O O . HOH B 2 . . 15.334 21.462 20.777 0.91 37.63 ? O HOH A 76 1 +ATOM 1 N N MET 1 . . A 1 26.778 34.213 35.88 1 14.61 ? N MET 1 A 1 +ATOM 2 C CA MET 1 . . A 1 26.659 32.769 36.242 1 16.66 ? CA MET 1 A 1 +ATOM 3 C C MET 1 . . A 1 27.468 31.927 35.268 1 16.16 ? C MET 1 A 1 +ATOM 4 O O MET 1 . . A 1 27.699 32.342 34.11 1 15.79 ? O MET 1 A 1 +ATOM 5 C CB MET 1 . . A 1 25.202 32.296 36.219 1 15.87 ? CB MET 1 A 1 +ATOM 6 C CG MET 1 . . A 1 24.345 32.901 37.319 1 18.67 ? CG MET 1 A 1 +ATOM 7 S SD MET 1 . . A 1 22.647 32.419 37.205 1 18.22 ? SD MET 1 A 1 +ATOM 8 C CE MET 1 . . A 1 22.101 32.51 39.04 1 18.66 ? CE MET 1 A 1 +ATOM 9 N N THR 2 . . A 1 27.942 30.785 35.765 1 12.62 ? N THR 2 A 1 +ATOM 10 C CA THR 2 . . A 1 28.716 29.848 34.951 1 13.11 ? CA THR 2 A 1 +ATOM 11 C C THR 2 . . A 1 27.81 28.681 34.5 1 12.17 ? C THR 2 A 1 +ATOM 12 O O THR 2 . . A 1 27.19 28.014 35.349 1 11.81 ? O THR 2 A 1 +ATOM 13 C CB THR 2 . . A 1 29.874 29.309 35.74 1 11.99 ? CB THR 2 A 1 +ATOM 14 O OG1 THR 2 . . A 1 30.69 30.402 36.16 1 14.02 ? OG1 THR 2 A 1 +ATOM 15 C CG2 THR 2 . . A 1 30.703 28.38 34.901 1 12.76 ? CG2 THR 2 A 1 +ATOM 16 N N TYR 3 . . A 1 27.727 28.474 33.178 1 10.5 ? N TYR 3 A 1 +ATOM 17 C CA TYR 3 . . A 1 26.925 27.439 32.581 1 8.87 ? CA TYR 3 A 1 +ATOM 18 C C TYR 3 . . A 1 27.786 26.384 31.926 1 10.84 ? C TYR 3 A 1 +ATOM 19 O O TYR 3 . . A 1 28.925 26.623 31.562 1 9 ? O TYR 3 A 1 +ATOM 20 C CB TYR 3 . . A 1 25.98 28.003 31.552 1 9.75 ? CB TYR 3 A 1 +ATOM 21 C CG TYR 3 . . A 1 25.043 29.056 32.084 1 9.86 ? CG TYR 3 A 1 +ATOM 22 C CD1 TYR 3 . . A 1 25.494 30.368 32.275 1 9.28 ? CD1 TYR 3 A 1 +ATOM 23 C CD2 TYR 3 . . A 1 23.704 28.754 32.362 1 8.58 ? CD2 TYR 3 A 1 +ATOM 24 C CE1 TYR 3 . . A 1 24.649 31.353 32.728 1 10.76 ? CE1 TYR 3 A 1 +ATOM 25 C CE2 TYR 3 . . A 1 22.841 29.745 32.816 1 12.25 ? CE2 TYR 3 A 1 +ATOM 26 C CZ TYR 3 . . A 1 23.334 31.057 32.992 1 9.45 ? CZ TYR 3 A 1 +ATOM 27 O OH TYR 3 . . A 1 22.507 32.07 33.389 1 10.01 ? OH TYR 3 A 1 +ATOM 28 N N LYS 4 . . A 1 27.209 25.188 31.822 1 9.35 ? N LYS 4 A 1 +ATOM 29 C CA LYS 4 . . A 1 27.88 24.053 31.245 1 12.62 ? CA LYS 4 A 1 +ATOM 30 C C LYS 4 . . A 1 27.146 23.549 30.005 1 10.41 ? C LYS 4 A 1 +ATOM 31 O O LYS 4 . . A 1 25.927 23.642 29.883 1 8.07 ? O LYS 4 A 1 +ATOM 32 C CB LYS 4 . . A 1 27.98 22.919 32.276 1 16.64 ? CB LYS 4 A 1 +ATOM 33 C CG LYS 4 . . A 1 28.614 21.682 31.687 1 23.52 ? CG LYS 4 A 1 +ATOM 34 C CD LYS 4 . . A 1 29.133 20.761 32.75 1 26.11 ? CD LYS 4 A 1 +ATOM 35 C CE LYS 4 . . A 1 28.104 19.671 33.082 1 32.58 ? CE LYS 4 A 1 +ATOM 36 N NZ LYS 4 . . A 1 28.622 18.689 34.151 1 33.4 ? NZ LYS 4 A 1 +ATOM 37 N N LEU 5 . . A 1 27.906 23.017 29.076 1 8.27 ? N LEU 5 A 1 +ATOM 38 C CA LEU 5 . . A 1 27.287 22.492 27.893 1 5.95 ? CA LEU 5 A 1 +ATOM 39 C C LEU 5 . . A 1 27.787 21.089 27.755 1 6.29 ? C LEU 5 A 1 +ATOM 40 O O LEU 5 . . A 1 28.98 20.881 27.827 1 5.25 ? O LEU 5 A 1 +ATOM 41 C CB LEU 5 . . A 1 27.718 23.274 26.662 1 5.32 ? CB LEU 5 A 1 +ATOM 42 C CG LEU 5 . . A 1 27.273 22.663 25.316 1 3.5 ? CG LEU 5 A 1 +ATOM 43 C CD1 LEU 5 . . A 1 25.786 22.592 25.165 1 2.85 ? CD1 LEU 5 A 1 +ATOM 44 C CD2 LEU 5 . . A 1 27.883 23.37 24.177 1 2.99 ? CD2 LEU 5 A 1 +ATOM 45 N N ILE 6 . . A 1 26.872 20.127 27.677 1 4.84 ? N ILE 6 A 1 +ATOM 46 C CA ILE 6 . . A 1 27.234 18.718 27.43 1 6.82 ? CA ILE 6 A 1 +ATOM 47 C C ILE 6 . . A 1 26.857 18.445 25.938 1 6.98 ? C ILE 6 A 1 +ATOM 48 O O ILE 6 . . A 1 25.684 18.61 25.488 1 5.7 ? O ILE 6 A 1 +ATOM 49 C CB ILE 6 . . A 1 26.539 17.774 28.431 1 7.7 ? CB ILE 6 A 1 +ATOM 50 C CG1 ILE 6 . . A 1 26.929 18.189 29.827 1 8.62 ? CG1 ILE 6 A 1 +ATOM 51 C CG2 ILE 6 . . A 1 26.965 16.283 28.223 1 8.79 ? CG2 ILE 6 A 1 +ATOM 52 C CD1 ILE 6 . . A 1 26.27 17.302 30.804 1 10.87 ? CD1 ILE 6 A 1 +ATOM 53 N N LEU 7 . . A 1 27.883 18.141 25.16 1 6.28 ? N LEU 7 A 1 +ATOM 54 C CA LEU 7 . . A 1 27.753 17.891 23.727 1 6.59 ? CA LEU 7 A 1 +ATOM 55 C C LEU 7 . . A 1 27.76 16.412 23.441 1 6.58 ? C LEU 7 A 1 +ATOM 56 O O LEU 7 . . A 1 28.779 15.768 23.693 1 6.52 ? O LEU 7 A 1 +ATOM 57 C CB LEU 7 . . A 1 28.948 18.512 22.941 1 6.2 ? CB LEU 7 A 1 +ATOM 58 C CG LEU 7 . . A 1 29.329 19.998 23.037 1 7.38 ? CG LEU 7 A 1 +ATOM 59 C CD1 LEU 7 . . A 1 30.665 20.164 23.746 1 5.51 ? CD1 LEU 7 A 1 +ATOM 60 C CD2 LEU 7 . . A 1 29.401 20.599 21.67 1 5.66 ? CD2 LEU 7 A 1 +ATOM 61 N N ASN 8 . . A 1 26.656 15.886 22.895 1 7.07 ? N ASN 8 A 1 +ATOM 62 C CA ASN 8 . . A 1 26.607 14.472 22.512 1 8.36 ? CA ASN 8 A 1 +ATOM 63 C C ASN 8 . . A 1 26.394 14.448 21.001 1 6.87 ? C ASN 8 A 1 +ATOM 64 O O ASN 8 . . A 1 25.32 14.17 20.496 1 4.58 ? O ASN 8 A 1 +ATOM 65 C CB ASN 8 . . A 1 25.509 13.703 23.253 1 11.84 ? CB ASN 8 A 1 +ATOM 66 C CG ASN 8 . . A 1 25.427 12.198 22.812 1 17.44 ? CG ASN 8 A 1 +ATOM 67 O OD1 ASN 8 . . A 1 26.442 11.493 22.723 1 17.86 ? OD1 ASN 8 A 1 +ATOM 68 N ND2 ASN 8 . . A 1 24.216 11.74 22.47 1 19.85 ? ND2 ASN 8 A 1 +ATOM 69 N N GLY 9 . . A 1 27.39 14.85 20.248 1 6.96 ? N GLY 9 A 1 +ATOM 70 C CA GLY 9 . . A 1 27.19 14.807 18.805 1 6.92 ? CA GLY 9 A 1 +ATOM 71 C C GLY 9 . . A 1 27.687 13.461 18.292 1 8.02 ? C GLY 9 A 1 +ATOM 72 O O GLY 9 . . A 1 28.202 12.631 19.096 1 7.55 ? O GLY 9 A 1 +ATOM 73 N N LYS 10 . . A 1 27.644 13.275 16.967 1 7.38 ? N LYS 10 A 1 +ATOM 74 C CA LYS 10 . . A 1 28.097 12.053 16.383 1 7.81 ? CA LYS 10 A 1 +ATOM 75 C C LYS 10 . . A 1 29.608 12.016 16.332 1 8 ? C LYS 10 A 1 +ATOM 76 O O LYS 10 . . A 1 30.227 10.985 16.633 1 5.03 ? O LYS 10 A 1 +ATOM 77 C CB LYS 10 . . A 1 27.505 11.913 15.016 1 11.98 ? CB LYS 10 A 1 +ATOM 78 C CG LYS 10 . . A 1 26.053 11.53 15.078 1 16.38 ? CG LYS 10 A 1 +ATOM 79 C CD LYS 10 . . A 1 25.221 12.127 13.918 1 24.2 ? CD LYS 10 A 1 +ATOM 80 C CE LYS 10 . . A 1 25.741 11.707 12.492 1 27.12 ? CE LYS 10 A 1 +ATOM 81 N NZ LYS 10 . . A 1 24.966 12.355 11.327 1 27.49 ? NZ LYS 10 A 1 +ATOM 82 N N THR 11 . . A 1 30.199 13.192 16.095 1 7.5 ? N THR 11 A 1 +ATOM 83 C CA THR 11 . . A 1 31.651 13.369 15.973 1 8.2 ? CA THR 11 A 1 +ATOM 84 C C THR 11 . . A 1 32.334 13.991 17.218 1 7.89 ? C THR 11 A 1 +ATOM 85 O O THR 11 . . A 1 33.42 13.607 17.586 1 7.61 ? O THR 11 A 1 +ATOM 86 C CB THR 11 . . A 1 31.956 14.339 14.801 1 9.35 ? CB THR 11 A 1 +ATOM 87 O OG1 THR 11 . . A 1 31.318 13.897 13.603 1 10.85 ? OG1 THR 11 A 1 +ATOM 88 C CG2 THR 11 . . A 1 33.421 14.517 14.602 1 12.32 ? CG2 THR 11 A 1 +ATOM 89 N N LEU 12 . . A 1 31.689 14.98 17.82 1 8.58 ? N LEU 12 A 1 +ATOM 90 C CA LEU 12 . . A 1 32.24 15.708 18.937 1 7.27 ? CA LEU 12 A 1 +ATOM 91 C C LEU 12 . . A 1 31.473 15.439 20.241 1 7.67 ? C LEU 12 A 1 +ATOM 92 O O LEU 12 . . A 1 30.249 15.645 20.358 1 7.27 ? O LEU 12 A 1 +ATOM 93 C CB LEU 12 . . A 1 32.162 17.199 18.564 1 8.71 ? CB LEU 12 A 1 +ATOM 94 C CG LEU 12 . . A 1 33.156 18.3 18.949 1 10.48 ? CG LEU 12 A 1 +ATOM 95 C CD1 LEU 12 . . A 1 32.341 19.601 19.228 1 9.21 ? CD1 LEU 12 A 1 +ATOM 96 C CD2 LEU 12 . . A 1 34.036 17.907 20.136 1 8.42 ? CD2 LEU 12 A 1 +ATOM 97 N N LYS 13 . . A 1 32.202 15.087 21.265 1 5.43 ? N LYS 13 A 1 +ATOM 98 C CA LYS 13 . . A 1 31.559 14.806 22.513 1 7.07 ? CA LYS 13 A 1 +ATOM 99 C C LYS 13 . . A 1 32.382 15.429 23.592 1 7.64 ? C LYS 13 A 1 +ATOM 100 O O LYS 13 . . A 1 33.586 15.394 23.538 1 6.64 ? O LYS 13 A 1 +ATOM 101 C CB LYS 13 . . A 1 31.508 13.303 22.723 1 8.04 ? CB LYS 13 A 1 +ATOM 102 C CG LYS 13 . . A 1 30.511 12.591 21.829 1 9.13 ? CG LYS 13 A 1 +ATOM 103 C CD LYS 13 . . A 1 30.582 11.08 22.038 1 9.99 ? CD LYS 13 A 1 +ATOM 104 C CE LYS 13 . . A 1 29.51 10.37 21.214 1 9.64 ? CE LYS 13 A 1 +ATOM 105 N NZ LYS 13 . . A 1 29.903 10.422 19.84 1 9.79 ? NZ LYS 13 A 1 +ATOM 106 N N GLY 14 . . A 1 31.742 16.049 24.564 1 8.08 ? N GLY 14 A 1 +ATOM 107 C CA GLY 14 . . A 1 32.551 16.607 25.608 1 10.91 ? CA GLY 14 A 1 +ATOM 108 C C GLY 14 . . A 1 31.784 17.507 26.519 1 13.82 ? C GLY 14 A 1 +ATOM 109 O O GLY 14 . . A 1 30.54 17.459 26.526 1 12.43 ? O GLY 14 A 1 +ATOM 110 N N GLU 15 . . A 1 32.511 18.353 27.246 1 12.18 ? N GLU 15 A 1 +ATOM 111 C CA GLU 15 . . A 1 31.885 19.251 28.169 1 13.37 ? CA GLU 15 A 1 +ATOM 112 C C GLU 15 . . A 1 32.675 20.541 28.212 1 13.44 ? C GLU 15 A 1 +ATOM 113 O O GLU 15 . . A 1 33.918 20.512 28.139 1 11.68 ? O GLU 15 A 1 +ATOM 114 C CB GLU 15 . . A 1 31.955 18.585 29.514 1 16.38 ? CB GLU 15 A 1 +ATOM 115 C CG GLU 15 . . A 1 31.16 19.175 30.617 1 20.75 ? CG GLU 15 A 1 +ATOM 116 C CD GLU 15 . . A 1 30.988 18.128 31.732 1 22.61 ? CD GLU 15 A 1 +ATOM 117 O OE1 GLU 15 . . A 1 30.231 17.132 31.558 1 24.56 ? OE1 GLU 15 A 1 +ATOM 118 O OE2 GLU 15 . . A 1 31.675 18.255 32.749 1 22.88 ? OE2 GLU 15 A 1 +ATOM 119 N N THR 16 . . A 1 31.962 21.662 28.166 1 10.94 ? N THR 16 A 1 +ATOM 120 C CA THR 16 . . A 1 32.59 22.952 28.314 1 12.35 ? CA THR 16 A 1 +ATOM 121 C C THR 16 . . A 1 31.657 23.748 29.154 1 11.69 ? C THR 16 A 1 +ATOM 122 O O THR 16 . . A 1 30.56 23.313 29.424 1 9.43 ? O THR 16 A 1 +ATOM 123 C CB THR 16 . . A 1 32.843 23.745 27.02 1 13.36 ? CB THR 16 A 1 +ATOM 124 O OG1 THR 16 . . A 1 31.691 23.719 26.139 1 16.26 ? OG1 THR 16 A 1 +ATOM 125 C CG2 THR 16 . . A 1 34.01 23.231 26.342 1 20.68 ? CG2 THR 16 A 1 +ATOM 126 N N THR 17 . . A 1 32.102 24.933 29.549 1 12.87 ? N THR 17 A 1 +ATOM 127 C CA THR 17 . . A 1 31.337 25.872 30.369 1 13.13 ? CA THR 17 A 1 +ATOM 128 C C THR 17 . . A 1 31.442 27.293 29.794 1 15.23 ? C THR 17 A 1 +ATOM 129 O O THR 17 . . A 1 32.28 27.575 28.937 1 12.64 ? O THR 17 A 1 +ATOM 130 C CB THR 17 . . A 1 31.906 25.957 31.777 1 13.66 ? CB THR 17 A 1 +ATOM 131 O OG1 THR 17 . . A 1 33.175 26.606 31.73 1 12.04 ? OG1 THR 17 A 1 +ATOM 132 C CG2 THR 17 . . A 1 32.089 24.59 32.337 1 12.62 ? CG2 THR 17 A 1 +ATOM 133 N N THR 18 . . A 1 30.56 28.182 30.238 1 13.46 ? N THR 18 A 1 +ATOM 134 C CA THR 18 . . A 1 30.648 29.569 29.782 1 16.1 ? CA THR 18 A 1 +ATOM 135 C C THR 18 . . A 1 30.183 30.439 30.924 1 15.95 ? C THR 18 A 1 +ATOM 136 O O THR 18 . . A 1 29.659 29.918 31.883 1 16 ? O THR 18 A 1 +ATOM 137 C CB THR 18 . . A 1 29.809 29.875 28.486 1 15.44 ? CB THR 18 A 1 +ATOM 138 O OG1 THR 18 . . A 1 30.308 31.072 27.882 1 14.31 ? OG1 THR 18 A 1 +ATOM 139 C CG2 THR 18 . . A 1 28.342 30.07 28.789 1 15.16 ? CG2 THR 18 A 1 +ATOM 140 N N GLU 19 . . A 1 30.512 31.719 30.863 1 14.78 ? N GLU 19 A 1 +ATOM 141 C CA GLU 19 . . A 1 30.112 32.696 31.87 1 18.12 ? CA GLU 19 A 1 +ATOM 142 C C GLU 19 . . A 1 29.09 33.566 31.129 1 14.65 ? C GLU 19 A 1 +ATOM 143 O O GLU 19 . . A 1 29.308 33.925 29.998 1 16.84 ? O GLU 19 A 1 +ATOM 144 C CB GLU 19 . . A 1 31.332 33.552 32.303 1 22.39 ? CB GLU 19 A 1 +ATOM 145 C CG GLU 19 . . A 1 31.413 33.99 33.814 1 28.69 ? CG GLU 19 A 1 +ATOM 146 C CD GLU 19 . . A 1 30.348 35.085 34.267 1 35.12 ? CD GLU 19 A 1 +ATOM 147 O OE1 GLU 19 . . A 1 29.864 35.904 33.419 1 35.81 ? OE1 GLU 19 A 1 +ATOM 148 O OE2 GLU 19 . . A 1 30.01 35.143 35.495 1 33.84 ? OE2 GLU 19 A 1 +ATOM 149 N N ALA 20 . . A 1 27.93 33.807 31.698 1 11.79 ? N ALA 20 A 1 +ATOM 150 C CA ALA 20 . . A 1 26.954 34.653 31.011 1 11.11 ? CA ALA 20 A 1 +ATOM 151 C C ALA 20 . . A 1 25.998 35.271 32.023 1 11.25 ? C ALA 20 A 1 +ATOM 152 O O ALA 20 . . A 1 25.861 34.745 33.095 1 10.25 ? O ALA 20 A 1 +ATOM 153 C CB ALA 20 . . A 1 26.175 33.859 29.917 1 10.3 ? CB ALA 20 A 1 +ATOM 154 N N VAL 21 . . A 1 25.406 36.414 31.687 1 11.64 ? N VAL 21 A 1 +ATOM 155 C CA VAL 21 . . A 1 24.428 37.125 32.548 1 13.5 ? CA VAL 21 A 1 +ATOM 156 C C VAL 21 . . A 1 23.176 36.342 32.872 1 13.35 ? C VAL 21 A 1 +ATOM 157 O O VAL 21 . . A 1 22.648 36.441 33.968 1 13.8 ? O VAL 21 A 1 +ATOM 158 C CB VAL 21 . . A 1 23.894 38.488 31.924 1 15 ? CB VAL 21 A 1 +ATOM 159 C CG1 VAL 21 . . A 1 24.715 39.622 32.402 1 13.17 ? CG1 VAL 21 A 1 +ATOM 160 C CG2 VAL 21 . . A 1 23.842 38.429 30.361 1 13.88 ? CG2 VAL 21 A 1 +ATOM 161 N N ASP 22 . . A 1 22.687 35.605 31.888 1 12.32 ? N ASP 22 A 1 +ATOM 162 C CA ASP 22 . . A 1 21.526 34.808 32.082 1 10.39 ? CA ASP 22 A 1 +ATOM 163 C C ASP 22 . . A 1 21.599 33.656 31.128 1 10.5 ? C ASP 22 A 1 +ATOM 164 O O ASP 22 . . A 1 22.473 33.619 30.238 1 9.88 ? O ASP 22 A 1 +ATOM 165 C CB ASP 22 . . A 1 20.243 35.635 31.899 1 11.05 ? CB ASP 22 A 1 +ATOM 166 C CG ASP 22 . . A 1 20.069 36.16 30.52 1 12.87 ? CG ASP 22 A 1 +ATOM 167 O OD1 ASP 22 . . A 1 20.821 35.774 29.607 1 16.26 ? OD1 ASP 22 A 1 +ATOM 168 O OD2 ASP 22 . . A 1 19.146 36.972 30.319 1 16.47 ? OD2 ASP 22 A 1 +ATOM 169 N N ALA 23 . . A 1 20.639 32.74 31.269 1 8.81 ? N ALA 23 A 1 +ATOM 170 C CA ALA 23 . . A 1 20.561 31.551 30.43 1 6.96 ? CA ALA 23 A 1 +ATOM 171 C C ALA 23 . . A 1 20.321 31.844 28.931 1 5.92 ? C ALA 23 A 1 +ATOM 172 O O ALA 23 . . A 1 20.824 31.129 28.069 1 8.19 ? O ALA 23 A 1 +ATOM 173 C CB ALA 23 . . A 1 19.503 30.664 30.975 1 6.19 ? CB ALA 23 A 1 +ATOM 174 N N ALA 24 . . A 1 19.543 32.88 28.616 1 4.63 ? N ALA 24 A 1 +ATOM 175 C CA ALA 24 . . A 1 19.237 33.239 27.218 1 5.79 ? CA ALA 24 A 1 +ATOM 176 C C ALA 24 . . A 1 20.49 33.638 26.483 1 6.14 ? C ALA 24 A 1 +ATOM 177 O O ALA 24 . . A 1 20.643 33.37 25.31 1 8.27 ? O ALA 24 A 1 +ATOM 178 C CB ALA 24 . . A 1 18.162 34.389 27.146 1 5.79 ? CB ALA 24 A 1 +ATOM 179 N N THR 25 . . A 1 21.411 34.253 27.198 1 7.31 ? N THR 25 A 1 +ATOM 180 C CA THR 25 . . A 1 22.642 34.663 26.595 1 7.61 ? CA THR 25 A 1 +ATOM 181 C C THR 25 . . A 1 23.567 33.44 26.482 1 8.29 ? C THR 25 A 1 +ATOM 182 O O THR 25 . . A 1 24.19 33.275 25.431 1 7.36 ? O THR 25 A 1 +ATOM 183 C CB THR 25 . . A 1 23.295 35.861 27.358 1 9.87 ? CB THR 25 A 1 +ATOM 184 O OG1 THR 25 . . A 1 22.376 36.945 27.421 1 15.99 ? OG1 THR 25 A 1 +ATOM 185 C CG2 THR 25 . . A 1 24.436 36.418 26.612 1 7.83 ? CG2 THR 25 A 1 +ATOM 186 N N ALA 26 . . A 1 23.632 32.57 27.51 1 6.72 ? N ALA 26 A 1 +ATOM 187 C CA ALA 26 . . A 1 24.499 31.366 27.438 1 9.64 ? CA ALA 26 A 1 +ATOM 188 C C ALA 26 . . A 1 24.004 30.444 26.304 1 10.01 ? C ALA 26 A 1 +ATOM 189 O O ALA 26 . . A 1 24.795 29.892 25.55 1 10.49 ? O ALA 26 A 1 +ATOM 190 C CB ALA 26 . . A 1 24.554 30.606 28.803 1 6.87 ? CB ALA 26 A 1 +ATOM 191 N N GLU 27 . . A 1 22.691 30.378 26.13 1 11.53 ? N GLU 27 A 1 +ATOM 192 C CA GLU 27 . . A 1 22.101 29.59 25.062 1 13.51 ? CA GLU 27 A 1 +ATOM 193 C C GLU 27 . . A 1 22.566 30.053 23.656 1 13.78 ? C GLU 27 A 1 +ATOM 194 O O GLU 27 . . A 1 22.766 29.254 22.743 1 12.47 ? O GLU 27 A 1 +ATOM 195 C CB GLU 27 . . A 1 20.587 29.689 25.128 1 15.82 ? CB GLU 27 A 1 +ATOM 196 C CG GLU 27 . . A 1 19.983 28.615 24.307 1 21.36 ? CG GLU 27 A 1 +ATOM 197 C CD GLU 27 . . A 1 18.724 29.052 23.663 1 23.07 ? CD GLU 27 A 1 +ATOM 198 O OE1 GLU 27 . . A 1 17.994 29.851 24.306 1 25.94 ? OE1 GLU 27 A 1 +ATOM 199 O OE2 GLU 27 . . A 1 18.462 28.615 22.521 1 23.21 ? OE2 GLU 27 A 1 +ATOM 200 N N LYS 28 . . A 1 22.706 31.36 23.469 1 15.31 ? N LYS 28 A 1 +ATOM 201 C CA LYS 28 . . A 1 23.18 31.932 22.177 1 13.12 ? CA LYS 28 A 1 +ATOM 202 C C LYS 28 . . A 1 24.673 31.606 21.915 1 9.68 ? C LYS 28 A 1 +ATOM 203 O O LYS 28 . . A 1 25.086 31.328 20.783 1 8.78 ? O LYS 28 A 1 +ATOM 204 C CB LYS 28 . . A 1 23.016 33.469 22.176 1 14.23 ? CB LYS 28 A 1 +ATOM 205 C CG LYS 28 . . A 1 21.731 34.012 21.531 1 17.45 ? CG LYS 28 A 1 +ATOM 206 C CD LYS 28 . . A 1 20.541 34.029 22.467 1 18.36 ? CD LYS 28 A 1 +ATOM 207 C CE LYS 28 . . A 1 19.944 32.644 22.755 1 18.63 ? CE LYS 28 A 1 +ATOM 208 N NZ LYS 28 . . A 1 18.765 32.791 23.728 1 17.32 ? NZ LYS 28 A 1 +ATOM 209 N N VAL 29 . . A 1 25.471 31.76 22.968 1 8.13 ? N VAL 29 A 1 +ATOM 210 C CA VAL 29 . . A 1 26.885 31.515 22.924 1 7.52 ? CA VAL 29 A 1 +ATOM 211 C C VAL 29 . . A 1 27.147 30.039 22.603 1 6.4 ? C VAL 29 A 1 +ATOM 212 O O VAL 29 . . A 1 27.99 29.702 21.779 1 6.66 ? O VAL 29 A 1 +ATOM 213 C CB VAL 29 . . A 1 27.486 31.891 24.303 1 7.57 ? CB VAL 29 A 1 +ATOM 214 C CG1 VAL 29 . . A 1 28.899 31.37 24.409 1 7.89 ? CG1 VAL 29 A 1 +ATOM 215 C CG2 VAL 29 . . A 1 27.458 33.433 24.518 1 6.16 ? CG2 VAL 29 A 1 +ATOM 216 N N PHE 30 . . A 1 26.469 29.154 23.332 1 7.49 ? N PHE 30 A 1 +ATOM 217 C CA PHE 30 . . A 1 26.606 27.707 23.121 1 7.01 ? CA PHE 30 A 1 +ATOM 218 C C PHE 30 . . A 1 26.136 27.212 21.756 1 7.21 ? C PHE 30 A 1 +ATOM 219 O O PHE 30 . . A 1 26.792 26.404 21.128 1 6.86 ? O PHE 30 A 1 +ATOM 220 C CB PHE 30 . . A 1 25.893 26.96 24.228 1 7 ? CB PHE 30 A 1 +ATOM 221 C CG PHE 30 . . A 1 26.665 26.936 25.514 1 6.05 ? CG PHE 30 A 1 +ATOM 222 C CD1 PHE 30 . . A 1 28.066 26.954 25.508 1 4.97 ? CD1 PHE 30 A 1 +ATOM 223 C CD2 PHE 30 . . A 1 26.001 26.842 26.735 1 4.7 ? CD2 PHE 30 A 1 +ATOM 224 C CE1 PHE 30 . . A 1 28.786 26.873 26.704 1 3.77 ? CE1 PHE 30 A 1 +ATOM 225 C CE2 PHE 30 . . A 1 26.724 26.763 27.921 1 4.13 ? CE2 PHE 30 A 1 +ATOM 226 C CZ PHE 30 . . A 1 28.118 26.78 27.893 1 2.96 ? CZ PHE 30 A 1 +ATOM 227 N N LYS 31 . . A 1 25.007 27.737 21.289 1 9.22 ? N LYS 31 A 1 +ATOM 228 C CA LYS 31 . . A 1 24.465 27.362 20.003 1 9.74 ? CA LYS 31 A 1 +ATOM 229 C C LYS 31 . . A 1 25.468 27.769 18.973 1 10.79 ? C LYS 31 A 1 +ATOM 230 O O LYS 31 . . A 1 25.726 27.029 18.067 1 11.32 ? O LYS 31 A 1 +ATOM 231 C CB LYS 31 . . A 1 23.164 28.08 19.739 1 10.71 ? CB LYS 31 A 1 +ATOM 232 C CG LYS 31 . . A 1 21.959 27.448 20.394 1 15 ? CG LYS 31 A 1 +ATOM 233 C CD LYS 31 . . A 1 21.142 26.655 19.377 1 18.28 ? CD LYS 31 A 1 +ATOM 234 C CE LYS 31 . . A 1 19.63 26.666 19.692 1 20.79 ? CE LYS 31 A 1 +ATOM 235 N NZ LYS 31 . . A 1 19.282 26.112 21.023 1 19.71 ? NZ LYS 31 A 1 +ATOM 236 N N GLN 32 . . A 1 26.018 28.963 19.088 1 9.07 ? N GLN 32 A 1 +ATOM 237 C CA GLN 32 . . A 1 27.009 29.365 18.127 1 10.35 ? CA GLN 32 A 1 +ATOM 238 C C GLN 32 . . A 1 28.242 28.433 18.223 1 9.02 ? C GLN 32 A 1 +ATOM 239 O O GLN 32 . . A 1 28.852 28.088 17.218 1 8.6 ? O GLN 32 A 1 +ATOM 240 C CB GLN 32 . . A 1 27.401 30.823 18.374 1 11.61 ? CB GLN 32 A 1 +ATOM 241 C CG GLN 32 . . A 1 28.527 31.312 17.476 1 11.88 ? CG GLN 32 A 1 +ATOM 242 C CD GLN 32 . . A 1 28.791 32.813 17.645 1 13.83 ? CD GLN 32 A 1 +ATOM 243 O OE1 GLN 32 . . A 1 28.586 33.364 18.726 1 15.61 ? OE1 GLN 32 A 1 +ATOM 244 N NE2 GLN 32 . . A 1 29.172 33.478 16.571 1 12.31 ? NE2 GLN 32 A 1 +ATOM 245 N N TYR 33 . . A 1 28.656 28.118 19.451 1 8.39 ? N TYR 33 A 1 +ATOM 246 C CA TYR 33 . . A 1 29.773 27.206 19.679 1 6.4 ? CA TYR 33 A 1 +ATOM 247 C C TYR 33 . . A 1 29.509 25.862 18.941 1 5.87 ? C TYR 33 A 1 +ATOM 248 O O TYR 33 . . A 1 30.32 25.372 18.149 1 4.8 ? O TYR 33 A 1 +ATOM 249 C CB TYR 33 . . A 1 29.946 27 21.178 1 6.67 ? CB TYR 33 A 1 +ATOM 250 C CG TYR 33 . . A 1 31.015 25.993 21.502 1 6.95 ? CG TYR 33 A 1 +ATOM 251 C CD1 TYR 33 . . A 1 32.355 26.338 21.387 1 7.21 ? CD1 TYR 33 A 1 +ATOM 252 C CD2 TYR 33 . . A 1 30.689 24.686 21.899 1 6.38 ? CD2 TYR 33 A 1 +ATOM 253 C CE1 TYR 33 . . A 1 33.374 25.417 21.669 1 9.67 ? CE1 TYR 33 A 1 +ATOM 254 C CE2 TYR 33 . . A 1 31.674 23.754 22.177 1 6.66 ? CE2 TYR 33 A 1 +ATOM 255 C CZ TYR 33 . . A 1 33.027 24.125 22.072 1 8.46 ? CZ TYR 33 A 1 +ATOM 256 O OH TYR 33 . . A 1 34.039 23.263 22.408 1 9.4 ? OH TYR 33 A 1 +ATOM 257 N N ALA 34 . . A 1 28.338 25.291 19.178 1 7.5 ? N ALA 34 A 1 +ATOM 258 C CA ALA 34 . . A 1 27.92 24.046 18.545 1 8.91 ? CA ALA 34 A 1 +ATOM 259 C C ALA 34 . . A 1 27.949 24.186 17.057 1 10.19 ? C ALA 34 A 1 +ATOM 260 O O ALA 34 . . A 1 28.45 23.338 16.372 1 9.37 ? O ALA 34 A 1 +ATOM 261 C CB ALA 34 . . A 1 26.496 23.71 18.955 1 7.87 ? CB ALA 34 A 1 +ATOM 262 N N ASN 35 . . A 1 27.384 25.279 16.574 1 11.9 ? N ASN 35 A 1 +ATOM 263 C CA ASN 35 . . A 1 27.274 25.513 15.161 1 14.15 ? CA ASN 35 A 1 +ATOM 264 C C ASN 35 . . A 1 28.633 25.557 14.477 1 13.33 ? C ASN 35 A 1 +ATOM 265 O O ASN 35 . . A 1 28.846 24.927 13.425 1 10.58 ? O ASN 35 A 1 +ATOM 266 C CB ASN 35 . . A 1 26.487 26.81 14.914 1 20.29 ? CB ASN 35 A 1 +ATOM 267 C CG ASN 35 . . A 1 24.932 26.584 14.787 1 23.22 ? CG ASN 35 A 1 +ATOM 268 O OD1 ASN 35 . . A 1 24.309 27.068 13.8 1 26.74 ? OD1 ASN 35 A 1 +ATOM 269 N ND2 ASN 35 . . A 1 24.299 25.919 15.788 1 21.89 ? ND2 ASN 35 A 1 +ATOM 270 N N ASP 36 . . A 1 29.55 26.286 15.097 1 10.96 ? N ASP 36 A 1 +ATOM 271 C CA ASP 36 . . A 1 30.915 26.41 14.554 1 14.21 ? CA ASP 36 A 1 +ATOM 272 C C ASP 36 . . A 1 31.675 25.089 14.557 1 9.94 ? C ASP 36 A 1 +ATOM 273 O O ASP 36 . . A 1 32.637 24.933 13.842 1 11.88 ? O ASP 36 A 1 +ATOM 274 C CB ASP 36 . . A 1 31.737 27.446 15.334 1 13.3 ? CB ASP 36 A 1 +ATOM 275 C CG ASP 36 . . A 1 31.27 28.892 15.089 1 19.45 ? CG ASP 36 A 1 +ATOM 276 O OD1 ASP 36 . . A 1 30.426 29.168 14.164 1 17.91 ? OD1 ASP 36 A 1 +ATOM 277 O OD2 ASP 36 . . A 1 31.807 29.761 15.834 1 18.68 ? OD2 ASP 36 A 1 +ATOM 278 N N ASN 37 . . A 1 31.237 24.154 15.379 1 10.35 ? N ASN 37 A 1 +ATOM 279 C CA ASN 37 . . A 1 31.91 22.848 15.442 1 10.08 ? CA ASN 37 A 1 +ATOM 280 C C ASN 37 . . A 1 31.204 21.703 14.705 1 8.66 ? C ASN 37 A 1 +ATOM 281 O O ASN 37 . . A 1 31.499 20.533 14.96 1 10.48 ? O ASN 37 A 1 +ATOM 282 C CB ASN 37 . . A 1 32.217 22.467 16.889 1 9.61 ? CB ASN 37 A 1 +ATOM 283 C CG ASN 37 . . A 1 33.232 23.388 17.496 1 10.43 ? CG ASN 37 A 1 +ATOM 284 O OD1 ASN 37 . . A 1 34.434 23.277 17.242 1 10.4 ? OD1 ASN 37 A 1 +ATOM 285 N ND2 ASN 37 . . A 1 32.76 24.275 18.36 1 10.05 ? ND2 ASN 37 A 1 +ATOM 286 N N GLY 38 . . A 1 30.255 22.076 13.847 1 7.27 ? N GLY 38 A 1 +ATOM 287 C CA GLY 38 . . A 1 29.514 21.139 13.029 1 9.93 ? CA GLY 38 A 1 +ATOM 288 C C GLY 38 . . A 1 28.423 20.349 13.682 1 9.26 ? C GLY 38 A 1 +ATOM 289 O O GLY 38 . . A 1 27.981 19.401 13.076 1 10.47 ? O GLY 38 A 1 +ATOM 290 N N VAL 39 . . A 1 28.018 20.735 14.895 1 9.93 ? N VAL 39 A 1 +ATOM 291 C CA VAL 39 . . A 1 26.982 20.057 15.673 1 11.05 ? CA VAL 39 A 1 +ATOM 292 C C VAL 39 . . A 1 25.623 20.694 15.351 1 13.05 ? C VAL 39 A 1 +ATOM 293 O O VAL 39 . . A 1 25.519 21.922 15.147 1 13.46 ? O VAL 39 A 1 +ATOM 294 C CB VAL 39 . . A 1 27.256 20.156 17.179 1 11.99 ? CB VAL 39 A 1 +ATOM 295 C CG1 VAL 39 . . A 1 26.19 19.386 17.992 1 11.01 ? CG1 VAL 39 A 1 +ATOM 296 C CG2 VAL 39 . . A 1 28.618 19.623 17.474 1 12.09 ? CG2 VAL 39 A 1 +ATOM 297 N N ASP 40 . . A 1 24.627 19.823 15.237 1 12.8 ? N ASP 40 A 1 +ATOM 298 C CA ASP 40 . . A 1 23.273 20.165 14.911 1 16.78 ? CA ASP 40 A 1 +ATOM 299 C C ASP 40 . . A 1 22.364 19.106 15.56 1 16.32 ? C ASP 40 A 1 +ATOM 300 O O ASP 40 . . A 1 22.057 18.08 14.952 1 17.59 ? O ASP 40 A 1 +ATOM 301 C CB ASP 40 . . A 1 23.133 20.098 13.39 1 19.31 ? CB ASP 40 A 1 +ATOM 302 C CG ASP 40 . . A 1 21.922 20.848 12.87 1 21.54 ? CG ASP 40 A 1 +ATOM 303 O OD1 ASP 40 . . A 1 21.056 21.312 13.659 1 21.98 ? OD1 ASP 40 A 1 +ATOM 304 O OD2 ASP 40 . . A 1 21.855 20.98 11.621 1 27 ? OD2 ASP 40 A 1 +ATOM 305 N N GLY 41 . . A 1 21.933 19.353 16.786 1 15.38 ? N GLY 41 A 1 +ATOM 306 C CA GLY 41 . . A 1 21.07 18.388 17.442 1 14.55 ? CA GLY 41 A 1 +ATOM 307 C C GLY 41 . . A 1 19.901 18.972 18.209 1 13.77 ? C GLY 41 A 1 +ATOM 308 O O GLY 41 . . A 1 19.433 20.086 17.91 1 14.74 ? O GLY 41 A 1 +ATOM 309 N N GLU 42 . . A 1 19.37 18.175 19.131 1 14.03 ? N GLU 42 A 1 +ATOM 310 C CA GLU 42 . . A 1 18.281 18.573 20.025 1 15.15 ? CA GLU 42 A 1 +ATOM 311 C C GLU 42 . . A 1 18.921 19.078 21.289 1 13.42 ? C GLU 42 A 1 +ATOM 312 O O GLU 42 . . A 1 19.965 18.538 21.727 1 9.64 ? O GLU 42 A 1 +ATOM 313 C CB GLU 42 . . A 1 17.322 17.413 20.322 1 20.68 ? CB GLU 42 A 1 +ATOM 314 C CG GLU 42 . . A 1 16.345 17.122 19.126 1 26.2 ? CG GLU 42 A 1 +ATOM 315 C CD GLU 42 . . A 1 15.372 15.922 19.367 1 32.15 ? CD GLU 42 A 1 +ATOM 316 O OE1 GLU 42 . . A 1 15.872 14.87 19.871 1 32.35 ? OE1 GLU 42 A 1 +ATOM 317 O OE2 GLU 42 . . A 1 14.131 16.03 19.037 1 31.5 ? OE2 GLU 42 A 1 +ATOM 318 N N TRP 43 . . A 1 18.309 20.141 21.827 1 10.4 ? N TRP 43 A 1 +ATOM 319 C CA TRP 43 . . A 1 18.773 20.83 23.024 1 8.43 ? CA TRP 43 A 1 +ATOM 320 C C TRP 43 . . A 1 17.801 20.725 24.189 1 9.38 ? C TRP 43 A 1 +ATOM 321 O O TRP 43 . . A 1 16.599 20.589 24.004 1 10.29 ? O TRP 43 A 1 +ATOM 322 C CB TRP 43 . . A 1 18.916 22.349 22.77 1 8.33 ? CB TRP 43 A 1 +ATOM 323 C CG TRP 43 . . A 1 19.989 22.746 21.842 1 7.08 ? CG TRP 43 A 1 +ATOM 324 C CD1 TRP 43 . . A 1 19.989 22.613 20.492 1 8.75 ? CD1 TRP 43 A 1 +ATOM 325 C CD2 TRP 43 . . A 1 21.244 23.292 22.191 1 7.08 ? CD2 TRP 43 A 1 +ATOM 326 N NE1 TRP 43 . . A 1 21.189 23.036 19.961 1 5.66 ? NE1 TRP 43 A 1 +ATOM 327 C CE2 TRP 43 . . A 1 21.986 23.454 20.988 1 7.08 ? CE2 TRP 43 A 1 +ATOM 328 C CE3 TRP 43 . . A 1 21.832 23.656 23.393 1 7.63 ? CE3 TRP 43 A 1 +ATOM 329 C CZ2 TRP 43 . . A 1 23.285 23.97 20.963 1 7 ? CZ2 TRP 43 A 1 +ATOM 330 C CZ3 TRP 43 . . A 1 23.098 24.165 23.376 1 7.78 ? CZ3 TRP 43 A 1 +ATOM 331 C CH2 TRP 43 . . A 1 23.826 24.318 22.161 1 7.62 ? CH2 TRP 43 A 1 +ATOM 332 N N THR 44 . . A 1 18.341 20.86 25.397 1 6.73 ? N THR 44 A 1 +ATOM 333 C CA THR 44 . . A 1 17.568 20.872 26.6 1 7.41 ? CA THR 44 A 1 +ATOM 334 C C THR 44 . . A 1 18.37 21.803 27.458 1 7.32 ? C THR 44 A 1 +ATOM 335 O O THR 44 . . A 1 19.564 22.051 27.162 1 8.3 ? O THR 44 A 1 +ATOM 336 C CB THR 44 . . A 1 17.477 19.475 27.325 1 6.34 ? CB THR 44 A 1 +ATOM 337 O OG1 THR 44 . . A 1 18.768 19.116 27.844 1 8.74 ? OG1 THR 44 A 1 +ATOM 338 C CG2 THR 44 . . A 1 16.965 18.331 26.382 1 4.42 ? CG2 THR 44 A 1 +ATOM 339 N N TYR 45 . . A 1 17.707 22.422 28.434 1 6.33 ? N TYR 45 A 1 +ATOM 340 C CA TYR 45 . . A 1 18.383 23.292 29.382 1 6.58 ? CA TYR 45 A 1 +ATOM 341 C C TYR 45 . . A 1 17.795 22.951 30.738 1 6.24 ? C TYR 45 A 1 +ATOM 342 O O TYR 45 . . A 1 16.594 22.894 30.859 1 8.16 ? O TYR 45 A 1 +ATOM 343 C CB TYR 45 . . A 1 18.153 24.791 29.123 1 6.32 ? CB TYR 45 A 1 +ATOM 344 C CG TYR 45 . . A 1 18.63 25.646 30.3 1 7.32 ? CG TYR 45 A 1 +ATOM 345 C CD1 TYR 45 . . A 1 19.993 25.696 30.649 1 6 ? CD1 TYR 45 A 1 +ATOM 346 C CD2 TYR 45 . . A 1 17.716 26.386 31.095 1 7.75 ? CD2 TYR 45 A 1 +ATOM 347 C CE1 TYR 45 . . A 1 20.434 26.427 31.704 1 6.17 ? CE1 TYR 45 A 1 +ATOM 348 C CE2 TYR 45 . . A 1 18.165 27.134 32.159 1 8.06 ? CE2 TYR 45 A 1 +ATOM 349 C CZ TYR 45 . . A 1 19.531 27.144 32.461 1 6.37 ? CZ TYR 45 A 1 +ATOM 350 O OH TYR 45 . . A 1 20.003 27.846 33.547 1 7.74 ? OH TYR 45 A 1 +ATOM 351 N N ASP 46 . . A 1 18.637 22.717 31.736 1 6.35 ? N ASP 46 A 1 +ATOM 352 C CA ASP 46 . . A 1 18.189 22.395 33.084 1 6.11 ? CA ASP 46 A 1 +ATOM 353 C C ASP 46 . . A 1 18.762 23.422 34.046 1 7.28 ? C ASP 46 A 1 +ATOM 354 O O ASP 46 . . A 1 19.956 23.402 34.423 1 4.29 ? O ASP 46 A 1 +ATOM 355 C CB ASP 46 . . A 1 18.608 20.963 33.468 1 7.79 ? CB ASP 46 A 1 +ATOM 356 C CG ASP 46 . . A 1 18.147 20.542 34.888 1 7.44 ? CG ASP 46 A 1 +ATOM 357 O OD1 ASP 46 . . A 1 17.386 21.232 35.591 1 5 ? OD1 ASP 46 A 1 +ATOM 358 O OD2 ASP 46 . . A 1 18.551 19.448 35.27 1 9.02 ? OD2 ASP 46 A 1 +ATOM 359 N N ASP 47 . . A 1 17.863 24.323 34.417 1 6.68 ? N ASP 47 A 1 +ATOM 360 C CA ASP 47 . . A 1 18.172 25.408 35.266 1 8.65 ? CA ASP 47 A 1 +ATOM 361 C C ASP 47 . . A 1 18.635 24.975 36.607 1 10.53 ? C ASP 47 A 1 +ATOM 362 O O ASP 47 . . A 1 19.331 25.709 37.256 1 10.1 ? O ASP 47 A 1 +ATOM 363 C CB ASP 47 . . A 1 16.952 26.264 35.444 1 9.98 ? CB ASP 47 A 1 +ATOM 364 C CG ASP 47 . . A 1 17.294 27.588 36.038 1 13.07 ? CG ASP 47 A 1 +ATOM 365 O OD1 ASP 47 . . A 1 18.182 28.307 35.517 1 11.85 ? OD1 ASP 47 A 1 +ATOM 366 O OD2 ASP 47 . . A 1 16.71 27.874 37.084 1 14.99 ? OD2 ASP 47 A 1 +ATOM 367 N N ALA 48 . . A 1 18.101 23.853 37.083 1 10.72 ? N ALA 48 A 1 +ATOM 368 C CA ALA 48 . . A 1 18.486 23.283 38.379 1 9.53 ? CA ALA 48 A 1 +ATOM 369 C C ALA 48 . . A 1 19.959 22.961 38.447 1 8.82 ? C ALA 48 A 1 +ATOM 370 O O ALA 48 . . A 1 20.523 22.904 39.507 1 10.62 ? O ALA 48 A 1 +ATOM 371 C CB ALA 48 . . A 1 17.677 22.025 38.647 1 11.11 ? CB ALA 48 A 1 +ATOM 372 N N THR 49 . . A 1 20.603 22.757 37.316 1 9.51 ? N THR 49 A 1 +ATOM 373 C CA THR 49 . . A 1 22.029 22.47 37.333 1 8.4 ? CA THR 49 A 1 +ATOM 374 C C THR 49 . . A 1 22.748 23.435 36.395 1 7.98 ? C THR 49 A 1 +ATOM 375 O O THR 49 . . A 1 23.941 23.324 36.212 1 9.23 ? O THR 49 A 1 +ATOM 376 C CB THR 49 . . A 1 22.345 20.975 36.913 1 8.34 ? CB THR 49 A 1 +ATOM 377 O OG1 THR 49 . . A 1 22.05 20.81 35.525 1 6.78 ? OG1 THR 49 A 1 +ATOM 378 C CG2 THR 49 . . A 1 21.457 19.962 37.702 1 6.32 ? CG2 THR 49 A 1 +ATOM 379 N N LYS 50 . . A 1 22.009 24.371 35.8 1 7.05 ? N LYS 50 A 1 +ATOM 380 C CA LYS 50 . . A 1 22.552 25.343 34.873 1 8.49 ? CA LYS 50 A 1 +ATOM 381 C C LYS 50 . . A 1 23.219 24.646 33.689 1 8.72 ? C LYS 50 A 1 +ATOM 382 O O LYS 50 . . A 1 24.189 25.166 33.141 1 8.51 ? O LYS 50 A 1 +ATOM 383 C CB LYS 50 . . A 1 23.573 26.291 35.57 1 11.17 ? CB LYS 50 A 1 +ATOM 384 C CG LYS 50 . . A 1 23.028 27.095 36.711 1 10.11 ? CG LYS 50 A 1 +ATOM 385 C CD LYS 50 . . A 1 21.867 27.977 36.252 1 13.37 ? CD LYS 50 A 1 +ATOM 386 C CE LYS 50 . . A 1 21.143 28.68 37.483 1 12.12 ? CE LYS 50 A 1 +ATOM 387 N NZ LYS 50 . . A 1 20.184 29.77 37.143 1 15.16 ? NZ LYS 50 A 1 +ATOM 388 N N THR 51 . . A 1 22.654 23.514 33.255 1 7.92 ? N THR 51 A 1 +ATOM 389 C CA THR 51 . . A 1 23.221 22.742 32.156 1 7.95 ? CA THR 51 A 1 +ATOM 390 C C THR 51 . . A 1 22.435 22.672 30.858 1 5.18 ? C THR 51 A 1 +ATOM 391 O O THR 51 . . A 1 21.235 22.535 30.854 1 3.35 ? O THR 51 A 1 +ATOM 392 C CB THR 51 . . A 1 23.549 21.266 32.6 1 8.94 ? CB THR 51 A 1 +ATOM 393 O OG1 THR 51 . . A 1 24.412 21.311 33.73 1 10.06 ? OG1 THR 51 A 1 +ATOM 394 C CG2 THR 51 . . A 1 24.324 20.498 31.477 1 11.18 ? CG2 THR 51 A 1 +ATOM 395 N N PHE 52 . . A 1 23.152 22.808 29.756 1 3.88 ? N PHE 52 A 1 +ATOM 396 C CA PHE 52 . . A 1 22.568 22.724 28.431 1 5.35 ? CA PHE 52 A 1 +ATOM 397 C C PHE 52 . . A 1 23.139 21.448 27.853 1 5.94 ? C PHE 52 A 1 +ATOM 398 O O PHE 52 . . A 1 24.298 21.11 28.112 1 7.6 ? O PHE 52 A 1 +ATOM 399 C CB PHE 52 . . A 1 23.077 23.828 27.506 1 4.56 ? CB PHE 52 A 1 +ATOM 400 C CG PHE 52 . . A 1 22.484 25.155 27.766 1 5.8 ? CG PHE 52 A 1 +ATOM 401 C CD1 PHE 52 . . A 1 22.962 25.955 28.824 1 6.35 ? CD1 PHE 52 A 1 +ATOM 402 C CD2 PHE 52 . . A 1 21.488 25.63 26.943 1 6.87 ? CD2 PHE 52 A 1 +ATOM 403 C CE1 PHE 52 . . A 1 22.46 27.242 29.066 1 6.65 ? CE1 PHE 52 A 1 +ATOM 404 C CE2 PHE 52 . . A 1 20.946 26.9 27.152 1 7.62 ? CE2 PHE 52 A 1 +ATOM 405 C CZ PHE 52 . . A 1 21.438 27.729 28.226 1 7.28 ? CZ PHE 52 A 1 +ATOM 406 N N THR 53 . . A 1 22.359 20.748 27.052 1 5.79 ? N THR 53 A 1 +ATOM 407 C CA THR 53 . . A 1 22.885 19.561 26.411 1 5.92 ? CA THR 53 A 1 +ATOM 408 C C THR 53 . . A 1 22.419 19.621 24.955 1 5.65 ? C THR 53 A 1 +ATOM 409 O O THR 53 . . A 1 21.309 20.087 24.688 1 6.81 ? O THR 53 A 1 +ATOM 410 C CB THR 53 . . A 1 22.4 18.226 27.067 1 5.16 ? CB THR 53 A 1 +ATOM 411 O OG1 THR 53 . . A 1 21.054 17.997 26.672 1 9.4 ? OG1 THR 53 A 1 +ATOM 412 C CG2 THR 53 . . A 1 22.407 18.291 28.569 1 5.06 ? CG2 THR 53 A 1 +ATOM 413 N N VAL 54 . . A 1 23.285 19.248 24.008 1 5.98 ? N VAL 54 A 1 +ATOM 414 C CA VAL 54 . . A 1 22.856 19.172 22.598 1 5.44 ? CA VAL 54 A 1 +ATOM 415 C C VAL 54 . . A 1 23.112 17.708 22.184 1 4.77 ? C VAL 54 A 1 +ATOM 416 O O VAL 54 . . A 1 24.161 17.151 22.491 1 3.99 ? O VAL 54 A 1 +ATOM 417 C CB VAL 54 . . A 1 23.576 20.167 21.671 1 3.09 ? CB VAL 54 A 1 +ATOM 418 C CG1 VAL 54 . . A 1 25.091 20.092 21.843 1 3.65 ? CG1 VAL 54 A 1 +ATOM 419 C CG2 VAL 54 . . A 1 23.136 19.922 20.206 1 5.1 ? CG2 VAL 54 A 1 +ATOM 420 N N THR 55 . . A 1 22.21 17.134 21.421 1 5.48 ? N THR 55 A 1 +ATOM 421 C CA THR 55 . . A 1 22.364 15.731 21.085 1 6.69 ? CA THR 55 A 1 +ATOM 422 C C THR 55 . . A 1 22.039 15.472 19.632 1 8.52 ? C THR 55 A 1 +ATOM 423 O O THR 55 . . A 1 20.995 15.86 19.189 1 12.3 ? O THR 55 A 1 +ATOM 424 C CB THR 55 . . A 1 21.406 14.955 21.979 1 5.3 ? CB THR 55 A 1 +ATOM 425 O OG1 THR 55 . . A 1 21.786 15.194 23.326 1 4.67 ? OG1 THR 55 A 1 +ATOM 426 C CG2 THR 55 . . A 1 21.441 13.47 21.755 1 6 ? CG2 THR 55 A 1 +ATOM 427 N N GLU 56 . . A 1 22.905 14.843 18.864 1 8.91 ? N GLU 56 A 1 +ATOM 428 C CA GLU 56 . . A 1 22.553 14.567 17.468 1 13.22 ? CA GLU 56 A 1 +ATOM 429 C C GLU 56 . . A 1 22.022 13.143 17.33 1 13.01 ? C GLU 56 A 1 +ATOM 430 O O GLU 56 . . A 1 22.353 12.301 18.19 1 14.55 ? O GLU 56 A 1 +ATOM 431 C CB GLU 56 . . A 1 23.736 14.723 16.538 1 13.01 ? CB GLU 56 A 1 +ATOM 432 C CG GLU 56 . . A 1 24.277 16.065 16.47 1 14.87 ? CG GLU 56 A 1 +ATOM 433 C CD GLU 56 . . A 1 25.43 16.161 15.494 1 15.68 ? CD GLU 56 A 1 +ATOM 434 O OE1 GLU 56 . . A 1 26.403 15.371 15.576 1 17.54 ? OE1 GLU 56 A 1 +ATOM 435 O OE2 GLU 56 . . A 1 25.381 17.081 14.664 1 18.6 ? OE2 GLU 56 A 1 +ATOM 436 O OXT GLU 56 . . A 1 21.296 12.892 16.369 1 15.04 ? OXT GLU 56 A 1 +HETATM 437 O O HOH . . . B 2 20.045 17.338 24.112 1 3.04 ? O HOH 57 A 1 +HETATM 438 O O HOH . . . B 2 29.284 15.933 16.005 1 3.9 ? O HOH 58 A 1 +HETATM 439 O O HOH . . . B 2 30.968 17.869 15.018 0.94 11.86 ? O HOH 59 A 1 +HETATM 440 O O HOH . . . B 2 36.384 21.652 27.812 0.96 15.46 ? O HOH 60 A 1 +HETATM 441 O O HOH . . . B 2 17.058 34.117 30.636 0.91 16.69 ? O HOH 61 A 1 +HETATM 442 O O HOH . . . B 2 27.844 16.414 13.404 1 23.36 ? O HOH 62 A 1 +HETATM 443 O O HOH . . . B 2 18.404 38.643 27.967 1 23.63 ? O HOH 63 A 1 +HETATM 444 O O HOH . . . B 2 19.968 31.46 34.797 1 23.75 ? O HOH 64 A 1 +HETATM 445 O O HOH . . . B 2 18.201 18.566 37.695 0.95 22.19 ? O HOH 65 A 1 +HETATM 446 O O HOH . . . B 2 28.632 36.88 26.524 1 24.51 ? O HOH 66 A 1 +HETATM 447 O O HOH . . . B 2 24.32 18.322 34.892 0.95 23.33 ? O HOH 67 A 1 +HETATM 448 O O HOH . . . B 2 34.515 20.297 15.278 0.95 24.44 ? O HOH 68 A 1 +HETATM 449 O O HOH . . . B 2 25.264 17.638 11.962 1 26.96 ? O HOH 69 A 1 +HETATM 450 O O HOH . . . B 2 27.03 30.62 14.393 1 30.28 ? O HOH 70 A 1 +HETATM 451 O O HOH . . . B 2 34.649 12.834 25.632 0.98 31.24 ? O HOH 71 A 1 +HETATM 452 O O HOH . . . B 2 18.195 33.437 33.74 0.88 30.66 ? O HOH 72 A 1 +HETATM 453 O O HOH . . . B 2 15.996 28.545 27.866 1 38.23 ? O HOH 73 A 1 +HETATM 454 O O HOH . . . B 2 22.964 13.047 25.143 0.94 34.64 ? O HOH 74 A 1 +HETATM 455 O O HOH . . . B 2 36.309 21.652 20.246 1 43.01 ? O HOH 75 A 1 +HETATM 456 O O HOH . . . B 2 15.334 21.462 20.777 0.91 37.63 ? O HOH 76 A 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 1 1 MET MET A . n +A 1 2 THR 2 2 2 THR THR A . n +A 1 3 TYR 3 3 3 TYR TYR A . n +A 1 4 LYS 4 4 4 LYS LYS A . n +A 1 5 LEU 5 5 5 LEU LEU A . n +A 1 6 ILE 6 6 6 ILE ILE A . n +A 1 7 LEU 7 7 7 LEU LEU A . n +A 1 8 ASN 8 8 8 ASN ASN A . n +A 1 9 GLY 9 9 9 GLY GLY A . n +A 1 10 LYS 10 10 10 LYS LYS A . n +A 1 11 THR 11 11 11 THR THR A . n +A 1 12 LEU 12 12 12 LEU LEU A . n +A 1 13 LYS 13 13 13 LYS LYS A . n +A 1 14 GLY 14 14 14 GLY GLY A . n +A 1 15 GLU 15 15 15 GLU GLU A . n +A 1 16 THR 16 16 16 THR THR A . n +A 1 17 THR 17 17 17 THR THR A . n +A 1 18 THR 18 18 18 THR THR A . n +A 1 19 GLU 19 19 19 GLU GLU A . n +A 1 20 ALA 20 20 20 ALA ALA A . n +A 1 21 VAL 21 21 21 VAL VAL A . n +A 1 22 ASP 22 22 22 ASP ASP A . n +A 1 23 ALA 23 23 23 ALA ALA A . n +A 1 24 ALA 24 24 24 ALA ALA A . n +A 1 25 THR 25 25 25 THR THR A . n +A 1 26 ALA 26 26 26 ALA ALA A . n +A 1 27 GLU 27 27 27 GLU GLU A . n +A 1 28 LYS 28 28 28 LYS LYS A . n +A 1 29 VAL 29 29 29 VAL VAL A . n +A 1 30 PHE 30 30 30 PHE PHE A . n +A 1 31 LYS 31 31 31 LYS LYS A . n +A 1 32 GLN 32 32 32 GLN GLN A . n +A 1 33 TYR 33 33 33 TYR TYR A . n +A 1 34 ALA 34 34 34 ALA ALA A . n +A 1 35 ASN 35 35 35 ASN ASN A . n +A 1 36 ASP 36 36 36 ASP ASP A . n +A 1 37 ASN 37 37 37 ASN ASN A . n +A 1 38 GLY 38 38 38 GLY GLY A . n +A 1 39 VAL 39 39 39 VAL VAL A . n +A 1 40 ASP 40 40 40 ASP ASP A . n +A 1 41 GLY 41 41 41 GLY GLY A . n +A 1 42 GLU 42 42 42 GLU GLU A . n +A 1 43 TRP 43 43 43 TRP TRP A . n +A 1 44 THR 44 44 44 THR THR A . n +A 1 45 TYR 45 45 45 TYR TYR A . n +A 1 46 ASP 46 46 46 ASP ASP A . n +A 1 47 ASP 47 47 47 ASP ASP A . n +A 1 48 ALA 48 48 48 ALA ALA A . n +A 1 49 THR 49 49 49 THR THR A . n +A 1 50 LYS 50 50 50 LYS LYS A . n +A 1 51 THR 51 51 51 THR THR A . n +A 1 52 PHE 52 52 52 PHE PHE A . n +A 1 53 THR 53 53 53 THR THR A . n +A 1 54 VAL 54 54 54 VAL VAL A . n +A 1 55 THR 55 55 55 THR THR A . n +A 1 56 GLU 56 56 56 GLU GLU A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH A 1 57 57 HOH HOH . +B 2 HOH A 2 58 58 HOH HOH . +B 2 HOH A 3 59 59 HOH HOH . +B 2 HOH A 4 60 60 HOH HOH . +B 2 HOH A 5 61 61 HOH HOH . +B 2 HOH A 6 62 62 HOH HOH . +B 2 HOH A 7 63 63 HOH HOH . +B 2 HOH A 8 64 64 HOH HOH . +B 2 HOH A 9 65 65 HOH HOH . +B 2 HOH A 10 66 66 HOH HOH . +B 2 HOH A 11 67 67 HOH HOH . +B 2 HOH A 12 68 68 HOH HOH . +B 2 HOH A 13 69 69 HOH HOH . +B 2 HOH A 14 70 70 HOH HOH . +B 2 HOH A 15 71 71 HOH HOH . +B 2 HOH A 16 72 72 HOH HOH . +B 2 HOH A 17 73 73 HOH HOH . +B 2 HOH A 18 74 74 HOH HOH . +B 2 HOH A 19 75 75 HOH HOH . +B 2 HOH A 20 76 76 HOH HOH . +# +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1 +_pdbx_struct_oper_list.matrix[1][2] 0 +_pdbx_struct_oper_list.matrix[1][3] 0 +_pdbx_struct_oper_list.matrix[2][1] 0 +_pdbx_struct_oper_list.matrix[2][2] 1 +_pdbx_struct_oper_list.matrix[2][3] 0 +_pdbx_struct_oper_list.matrix[3][1] 0 +_pdbx_struct_oper_list.matrix[3][2] 0 +_pdbx_struct_oper_list.matrix[3][3] 1 +_pdbx_struct_oper_list.vector[1] 0 +_pdbx_struct_oper_list.vector[2] 0 +_pdbx_struct_oper_list.vector[3] 0 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1994-04-30 +2 'Structure model' 1 1 2008-03-24 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-11-29 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Derived calculations' +4 4 'Structure model' Other +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' pdbx_database_status +2 4 'Structure model' struct_conf +3 4 'Structure model' struct_conf_type +# +_pdbx_audit_revision_item.ordinal 1 +_pdbx_audit_revision_item.revision_ordinal 4 +_pdbx_audit_revision_item.data_content_type 'Structure model' +_pdbx_audit_revision_item.item '_pdbx_database_status.process_site' +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +'model building' . . X-PLOR . . 1 +refinement . . PROLSQ . . 2 +refinement . . X-PLOR . . 3 +phasing . . X-PLOR . . 4 +# +_pdbx_validate_torsion.id 1 +_pdbx_validate_torsion.PDB_model_num 1 +_pdbx_validate_torsion.auth_comp_id ASN +_pdbx_validate_torsion.auth_asym_id A +_pdbx_validate_torsion.auth_seq_id 8 +_pdbx_validate_torsion.PDB_ins_code . +_pdbx_validate_torsion.label_alt_id . +_pdbx_validate_torsion.phi -117.60000000000001 +_pdbx_validate_torsion.psi 69.54 +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.comp_id HOH +_pdbx_entity_nonpoly.name water # -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 10 +_model_server_stats.io_time_ms 5 +_model_server_stats.parse_time_ms 20 +_model_server_stats.create_model_time_ms 12 +_model_server_stats.query_time_ms 246 +_model_server_stats.encode_time_ms 9 +_model_server_stats.element_count 456 # diff --git a/src/test/resources/cif/1pga.cif.gz b/src/test/resources/cif/1pga.cif.gz index 4b1d2ee3f..822ad1a97 100644 Binary files a/src/test/resources/cif/1pga.cif.gz and b/src/test/resources/cif/1pga.cif.gz differ diff --git a/src/test/resources/cif/4cxl.cif b/src/test/resources/cif/4cxl.cif index 0e26e9d94..355914a19 100644 --- a/src/test/resources/cif/4cxl.cif +++ b/src/test/resources/cif/4cxl.cif @@ -1,684 +1,621 @@ data_4CXL # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:41:20' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id qjfD-6pph72Xn9hhVaZYmQ +_model_server_result.datetime_utc '2022-06-14 23:44:19' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 4cxl # _entry.id 4CXL # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.279 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer syn 'INSULIN A CHAIN' ? ? . ? ? ? -2 polymer syn 'INSULIN B CHAIN' ? ? . YES ? ? -3 non-polymer syn 'CHLORIDE ION' ? ? . ? ? ? -4 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 4CXL +pdbe EBI-60260 +wwpdb D_1290060260 # -_exptl.entry_id 4CXL -_exptl.method 'X-ray diffraction' +_pdbx_database_related.db_name PDB +_pdbx_database_related.details 'CRYSTAL STRUCTURE OF HUMAN INSULIN ANALOGUE (NME-ALAB8) -INSULIN CRYSTAL FORM I' +_pdbx_database_related.db_id 4CXN +_pdbx_database_related.content_type unspecified # -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 GLY A 1 . CYS A 7 . GLY A 1 CYS A 7 1 ? 7 -HELX_P HELX_P2 2 SER A 12 . ASN A 18 . SER A 12 ASN A 18 1 ? 7 -HELX_P HELX_P3 3 DPR B 8 . GLY B 20 . DPR B 8 GLY B 20 1 ? 13 -HELX_P HELX_P4 4 GLU B 21 . GLY B 23 . GLU B 21 GLY B 23 5 ? 3 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 4CXL +_pdbx_database_status.recvd_initial_deposition_date 2014-04-07 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # loop_ -_pdbx_struct_assembly.id -_pdbx_struct_assembly.details -_pdbx_struct_assembly.method_details -_pdbx_struct_assembly.oligomeric_details -_pdbx_struct_assembly.oligomeric_count -1 author_and_software_defined_assembly PQS tetrameric 4 -2 software_defined_assembly PISA hexameric 6 +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Kosinova, L.' 1 . +'Veverka, V.' 2 . +'Novotna, P.' 3 . +'Collinsova, M.' 4 . +'Urbanova, M.' 5 . +'Jiracek, J.' 6 . +'Moody, N.R.' 7 . +'Turkenburg, J.P.' 8 . +'Brzozowski, A.M.' 9 . +'Zakova, L.' 10 . # -loop_ -_pdbx_struct_assembly_gen.assembly_id -_pdbx_struct_assembly_gen.oper_expression -_pdbx_struct_assembly_gen.asym_id_list -1 1,2 A,B,C,D,E -2 1,3,4 A,B,C,D,E +_citation.book_publisher ? +_citation.country US +_citation.id primary +_citation.journal_abbrev Biochemistry +_citation.journal_id_ASTM BICHAW +_citation.journal_id_CSD 33 +_citation.journal_id_ISSN 0006-2960 +_citation.journal_volume 53 +_citation.page_first 3392 +_citation.page_last ? +_citation.title 'An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin.' +_citation.year 2014 +_citation.pdbx_database_id_DOI 10.1021/BI500073Z +_citation.pdbx_database_id_PubMed 24819248 # loop_ -_pdbx_struct_oper_list.id -_pdbx_struct_oper_list.type -_pdbx_struct_oper_list.name -_pdbx_struct_oper_list.symmetry_operation -_pdbx_struct_oper_list.matrix[1][1] -_pdbx_struct_oper_list.matrix[1][2] -_pdbx_struct_oper_list.matrix[1][3] -_pdbx_struct_oper_list.vector[1] -_pdbx_struct_oper_list.matrix[2][1] -_pdbx_struct_oper_list.matrix[2][2] -_pdbx_struct_oper_list.matrix[2][3] -_pdbx_struct_oper_list.vector[2] -_pdbx_struct_oper_list.matrix[3][1] -_pdbx_struct_oper_list.matrix[3][2] -_pdbx_struct_oper_list.matrix[3][3] -_pdbx_struct_oper_list.vector[3] -1 'identity operation' 1_555 x,y,z 1 0 0 0 0 1 0 0 0 0 1 0 -2 'crystal symmetry operation' 16_555 x,-y,-z+1/2 1 0 0 0 0 -1 0 0 0 0 -1 39.33 -3 'crystal symmetry operation' 12_455 -y-1/2,-z,x+1/2 0 -1 0 -39.33 0 0 -1 0 1 0 0 39.33 -4 'crystal symmetry operation' 6_445 z-1/2,-x-1/2,-y 0 0 1 -39.33 -1 0 0 -39.33 0 -1 0 0 +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Kosinova, L.' 1 +primary 'Veverka, V.' 2 +primary 'Novotna, P.' 3 +primary 'Collinsova, M.' 4 +primary 'Urbanova, M.' 5 +primary 'Moody, N.R.' 6 +primary 'Turkenburg, J.P.' 7 +primary 'Jiracek, J.' 8 +primary 'Brzozowski, A.M.' 9 +primary 'Zakova, L.' 10 # +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 90 _cell.entry_id 4CXL _cell.length_a 78.66 _cell.length_b 78.66 _cell.length_c 78.66 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 90 _cell.Z_PDB 24 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 4CXL -_symmetry.space_group_name_H-M 'I 21 3' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 199 -_symmetry.space_group_name_Hall . +_symmetry.entry_id 4CXL +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 199 +_symmetry.space_group_name_Hall . +_symmetry.space_group_name_H-M 'I 21 3' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 2383.698 1 syn polymer 'INSULIN A CHAIN' 1 ? ? ? +'GLY OF B8 SITE IS REPLACED BY D-AMINO ACID D-PROLINE' 3474.016 2 syn polymer 'INSULIN B CHAIN' 1 YES ? ? +? 35.453 3 syn non-polymer 'CHLORIDE ION' 1 ? ? ? +? 18.015 4 nat water water 57 ? ? ? # loop_ _entity_poly.entity_id -_entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer +_entity_poly.type +_entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -1 polypeptide(L) no no GIVEQCCTSICSLYQLENYCN GIVEQCCTSICSLYQLENYCN A -2 polypeptide(L) no yes FVNQHLC(DPR)SHLVEALYLVCGERGFFYTPKT FVNQHLCPSHLVEALYLVCGERGFFYTPKT B +_entity_poly.pdbx_target_identifier +1 no no polypeptide(L) A GIVEQCCTSICSLYQLENYCN GIVEQCCTSICSLYQLENYCN ? +2 no yes polypeptide(L) B FVNQHLC(DPR)SHLVEALYLVCGERGFFYTPKT FVNQHLCPSHLVEALYLVCGERGFFYTPKT ? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 GLY n -1 2 ILE n -1 3 VAL n -1 4 GLU n -1 5 GLN n -1 6 CYS n -1 7 CYS n -1 8 THR n -1 9 SER n -1 10 ILE n -1 11 CYS n -1 12 SER n -1 13 LEU n -1 14 TYR n -1 15 GLN n -1 16 LEU n -1 17 GLU n -1 18 ASN n -1 19 TYR n -1 20 CYS n -1 21 ASN n -2 1 PHE n -2 2 VAL n -2 3 ASN n -2 4 GLN n -2 5 HIS n -2 6 LEU n -2 7 CYS n -2 8 DPR n -2 9 SER n -2 10 HIS n -2 11 LEU n -2 12 VAL n -2 13 GLU n -2 14 ALA n -2 15 LEU n -2 16 TYR n -2 17 LEU n -2 18 VAL n -2 19 CYS n -2 20 GLY n -2 21 GLU n -2 22 ARG n -2 23 GLY n -2 24 PHE n -2 25 PHE n -2 26 TYR n -2 27 THR n -2 28 PRO n -2 29 LYS n -2 30 THR n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n ILE 2 +1 n VAL 3 +1 n GLU 4 +1 n GLN 5 +1 n CYS 6 +1 n CYS 7 +1 n THR 8 +1 n SER 9 +1 n ILE 10 +1 n CYS 11 +1 n SER 12 +1 n LEU 13 +1 n TYR 14 +1 n GLN 15 +1 n LEU 16 +1 n GLU 17 +1 n ASN 18 +1 n TYR 19 +1 n CYS 20 +1 n ASN 21 +2 n PHE 1 +2 n VAL 2 +2 n ASN 3 +2 n GLN 4 +2 n HIS 5 +2 n LEU 6 +2 n CYS 7 +2 n DPR 8 +2 n SER 9 +2 n HIS 10 +2 n LEU 11 +2 n VAL 12 +2 n GLU 13 +2 n ALA 14 +2 n LEU 15 +2 n TYR 16 +2 n LEU 17 +2 n VAL 18 +2 n CYS 19 +2 n GLY 20 +2 n GLU 21 +2 n ARG 22 +2 n GLY 23 +2 n PHE 24 +2 n PHE 25 +2 n TYR 26 +2 n THR 27 +2 n PRO 28 +2 n LYS 29 +2 n THR 30 +# +loop_ +_pdbx_entity_src_syn.organism_scientific +_pdbx_entity_src_syn.entity_id +_pdbx_entity_src_syn.pdbx_src_id +_pdbx_entity_src_syn.pdbx_beg_seq_num +_pdbx_entity_src_syn.pdbx_end_seq_num +'HOMO SAPIENS' 1 1 ? ? +'HOMO SAPIENS' 2 1 ? ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +1 UNP INS_HUMAN 1 . . P01308 . +2 UNP INS_HUMAN 2 . . P01308 . +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 4CXL A 1 . 21 . P01308 90 . 110 . 1 21 +2 2 4CXL B 1 . 30 . P01308 25 . 54 . 1 30 +# +_struct_ref_seq_dif.align_id 2 +_struct_ref_seq_dif.pdbx_pdb_id_code 4CXL +_struct_ref_seq_dif.mon_id DPR +_struct_ref_seq_dif.pdbx_pdb_strand_id B +_struct_ref_seq_dif.seq_num 8 +_struct_ref_seq_dif.pdbx_pdb_ins_code . +_struct_ref_seq_dif.pdbx_seq_db_name UNP +_struct_ref_seq_dif.pdbx_seq_db_accession_code P01308 +_struct_ref_seq_dif.db_mon_id GLY +_struct_ref_seq_dif.pdbx_seq_db_seq_num 32 +_struct_ref_seq_dif.details 'engineered mutation' +_struct_ref_seq_dif.pdbx_auth_seq_num 8 +_struct_ref_seq_dif.pdbx_ordinal 1 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'Cl -1' 35.453 CL . 'CHLORIDE ION' non-polymer ? +'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 DPR . D-PROLINE 'd-peptide linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? +'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? +# +_exptl.entry_id 4CXL +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 3.7 +_exptl_crystal.density_percent_sol 67 +_exptl_crystal.description NONE +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method . +_exptl_crystal_grow.temp . +_exptl_crystal_grow.temp_details . +_exptl_crystal_grow.pH 8 +_exptl_crystal_grow.pdbx_pH_range . +_exptl_crystal_grow.pdbx_details '0.1 M TRIS/HCL PH 8.0, 0.2 SODIUM CITRATE, 40% V/V MPD, PROTEIN CONCENTRATION 5MG/ML IN 20 MM HCL' +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector PIXEL +_diffrn_detector.type 'DECTRIS PILATUS 2M' +_diffrn_detector.pdbx_collection_date 2012-12-16 +_diffrn_detector.details . +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.92 +_diffrn_radiation_wavelength.wt 1 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'DIAMOND BEAMLINE I04' +_diffrn_source.pdbx_synchrotron_site Diamond +_diffrn_source.pdbx_synchrotron_beamline I04 +_diffrn_source.pdbx_wavelength 0.92 +_diffrn_source.pdbx_wavelength_list . +# +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.entry_id 4CXL +_reflns.observed_criterion_sigma_I 2 +_reflns.observed_criterion_sigma_F . +_reflns.d_resolution_low 39.33 +_reflns.d_resolution_high 1.5 +_reflns.number_obs 13097 +_reflns.number_all . +_reflns.percent_possible_obs 100 +_reflns.pdbx_Rmerge_I_obs 0.05 +_reflns.pdbx_Rsym_value . +_reflns.pdbx_netI_over_sigmaI 31.8 +_reflns.B_iso_Wilson_estimate 29.700000000000003 +_reflns.pdbx_redundancy 20 +# +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.d_res_high 1.5 +_reflns_shell.d_res_low 1.54 +_reflns_shell.percent_possible_all 100 +_reflns_shell.Rmerge_I_obs 0.66 +_reflns_shell.pdbx_Rsym_value . +_reflns_shell.meanI_over_sigI_obs 5 +_reflns_shell.pdbx_redundancy 20 +# +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.entry_id 4CXL +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag . +_refine.ls_number_reflns_obs 12441 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F . +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 39.33 +_refine.ls_d_res_high 1.5 +_refine.ls_percent_reflns_obs 99.98 +_refine.ls_R_factor_obs 0.1683 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work 0.16694 +_refine.ls_R_factor_R_free 0.19713 +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free 4.9 +_refine.ls_number_reflns_R_free 640 +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.correlation_coeff_Fo_to_Fc 0.975 +_refine.correlation_coeff_Fo_to_Fc_free 0.966 +_refine.B_iso_mean 26.337 +_refine.aniso_B[1][1] 0 +_refine.aniso_B[2][2] 0 +_refine.aniso_B[3][3] 0 +_refine.aniso_B[1][2] 0 +_refine.aniso_B[1][3] 0 +_refine.aniso_B[2][3] 0 +_refine.solvent_model_details MASK +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_solvent_vdw_probe_radii 1.2000000000000002 +_refine.pdbx_solvent_ion_probe_radii 0.8 +_refine.pdbx_solvent_shrinkage_radii 0.8 +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY. B30 THR IS NOT VISIBLE AND NOT MODELLED' +_refine.pdbx_starting_model 'PDB ENTRY 1MSO' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R 0.054 +_refine.pdbx_overall_ESU_R_Free 0.059000000000000004 +_refine.overall_SU_ML 0.042 +_refine.pdbx_overall_phase_error . +_refine.overall_SU_B 1.1320000000000001 +_refine.overall_SU_R_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 397 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 1 +_refine_hist.number_atoms_solvent 57 +_refine_hist.number_atoms_total 455 +_refine_hist.d_res_high 1.5 +_refine_hist.d_res_low 39.33 # loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +r_bond_refined_d 0.033 0.019 . 439 'X-RAY DIFFRACTION' . +r_bond_other_d 0.002 0.02 . 403 'X-RAY DIFFRACTION' . +r_angle_refined_deg 2.7840000000000003 1.954 . 603 'X-RAY DIFFRACTION' . +r_angle_other_deg 1.191 3 . 933 'X-RAY DIFFRACTION' . +r_dihedral_angle_1_deg 6.593 5 . 57 'X-RAY DIFFRACTION' . +r_dihedral_angle_2_deg 42.958 24.5 . 20 'X-RAY DIFFRACTION' . +r_dihedral_angle_3_deg 14.203000000000001 15 . 72 'X-RAY DIFFRACTION' . +r_dihedral_angle_4_deg 37.422000000000004 15 . 1 'X-RAY DIFFRACTION' . +r_chiral_restr 0.188 0.2 . 67 'X-RAY DIFFRACTION' . +r_gen_planes_refined 0.013000000000000001 0.02 . 504 'X-RAY DIFFRACTION' . +r_gen_planes_other 0.002 0.02 . 109 'X-RAY DIFFRACTION' . +r_nbd_refined . . . . 'X-RAY DIFFRACTION' . +r_nbd_other . . . . 'X-RAY DIFFRACTION' . +r_nbtor_refined . . . . 'X-RAY DIFFRACTION' . +r_nbtor_other . . . . 'X-RAY DIFFRACTION' . +r_xyhbond_nbd_refined . . . . 'X-RAY DIFFRACTION' . +r_xyhbond_nbd_other . . . . 'X-RAY DIFFRACTION' . +r_metal_ion_refined . . . . 'X-RAY DIFFRACTION' . +r_metal_ion_other . . . . 'X-RAY DIFFRACTION' . +r_symmetry_vdw_refined . . . . 'X-RAY DIFFRACTION' . +r_symmetry_vdw_other . . . . 'X-RAY DIFFRACTION' . +r_symmetry_hbond_refined . . . . 'X-RAY DIFFRACTION' . +r_symmetry_hbond_other . . . . 'X-RAY DIFFRACTION' . +r_symmetry_metal_ion_refined . . . . 'X-RAY DIFFRACTION' . +r_symmetry_metal_ion_other . . . . 'X-RAY DIFFRACTION' . +r_mcbond_it 3.0660000000000003 2.275 . 211 'X-RAY DIFFRACTION' . +r_mcbond_other 2.96 2.254 . 210 'X-RAY DIFFRACTION' . +r_mcangle_it 4.444 3.372 . 263 'X-RAY DIFFRACTION' . +r_mcangle_other . . . . 'X-RAY DIFFRACTION' . +r_scbond_it 3.939 2.693 . 228 'X-RAY DIFFRACTION' . +r_scbond_other . . . . 'X-RAY DIFFRACTION' . +r_scangle_it . . . . 'X-RAY DIFFRACTION' . +r_scangle_other . . . . 'X-RAY DIFFRACTION' . +r_long_range_B_refined . . . . 'X-RAY DIFFRACTION' . +r_long_range_B_other . . . . 'X-RAY DIFFRACTION' . +r_rigid_bond_restr . . . . 'X-RAY DIFFRACTION' . +r_sphericity_free . . . . 'X-RAY DIFFRACTION' . +r_sphericity_bonded . . . . 'X-RAY DIFFRACTION' . +# +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.d_res_high 1.502 +_refine_ls_shell.d_res_low 1.541 +_refine_ls_shell.number_reflns_R_work 893 +_refine_ls_shell.R_factor_R_work 0.245 +_refine_ls_shell.percent_reflns_obs 100 +_refine_ls_shell.R_factor_R_free 0.23700000000000002 +_refine_ls_shell.R_factor_R_free_error . +_refine_ls_shell.percent_reflns_R_free . +_refine_ls_shell.number_reflns_R_free 44 +_refine_ls_shell.number_reflns_all . +_refine_ls_shell.R_factor_all . +# +_struct.entry_id 4CXL +_struct.title 'Human insulin analogue (D-ProB8)-insulin' +_struct.pdbx_descriptor 'INSULIN A CHAIN, INSULIN B CHAIN' +# +_struct_keywords.entry_id 4CXL +_struct_keywords.text HORMONE,DIABETES +_struct_keywords.pdbx_keywords HORMONE +# +loop_ +_struct_asym.details +_struct_asym.entity_id _struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' -C N Y 3 'Might not contain all original atoms depending on the query used' -D N Y 4 'Might not contain all original atoms depending on the query used' -E N Y 4 'Might not contain all original atoms depending on the query used' +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +? 3 C N N +? 4 D N N +? 4 E N N +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_entity_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_auth_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.end_label_asym_id +_struct_conf.end_label_entity_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_auth_asym_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +helx_p helx_p1 GLY 1 . A 1 GLY 1 A CYS 7 . A 1 CYS 7 A 1 ? 7 +helx_p helx_p2 SER 12 . A 1 SER 12 A ASN 18 . A 1 ASN 18 A 1 ? 7 +helx_p helx_p3 DPR 8 . B 2 DPR 8 B GLY 20 . B 2 GLY 20 B 1 ? 13 +helx_p helx_p4 GLU 21 . B 2 GLU 21 B GLY 23 . B 2 GLY 23 B 5 ? 3 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . # loop_ -_struct_conn.id _struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id +_struct_conn.details +_struct_conn.id _struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details +_struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order -disulf1 disulf ? A CYS 6 SG ? ? ? 1_555 A CYS 11 SG ? ? A CYS 6 A CYS 11 1_555 ? ? ? ? ? ? ? 2.124 ? -disulf2 disulf ? A CYS 7 SG ? ? ? 1_555 B CYS 7 SG ? ? A CYS 7 B CYS 7 1_555 ? ? ? ? ? ? ? 1.956 ? -disulf3 disulf ? A CYS 20 SG ? ? ? 1_555 B CYS 19 SG ? ? A CYS 20 B CYS 19 1_555 ? ? ? ? ? ? ? 2.057 ? -covale1 covale ? B CYS 7 C ? ? ? 1_555 B DPR 8 N ? ? B CYS 7 B DPR 8 1_555 ? ? ? ? ? ? ? 1.271 ? -covale2 covale ? B DPR 8 C ? ? ? 1_555 B SER 9 N ? ? B DPR 8 B SER 9 1_555 ? ? ? ? ? ? ? 1.349 ? +disulf ? disulf1 A SG CYS 6 A CYS 6 1_555 A SG CYS 11 A CYS 11 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.124 ? +disulf ? disulf2 A SG CYS 7 A CYS 7 1_555 B SG CYS 7 B CYS 7 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.956 ? +disulf ? disulf3 A SG CYS 20 A CYS 20 1_555 B SG CYS 19 B CYS 19 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.057 ? +covale ? covale1 B C CYS 7 B CYS 7 1_555 B N DPR 8 B DPR 8 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.271 ? +covale ? covale2 B C DPR 8 B DPR 8 1_555 B N SER 9 B SER 9 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.349 ? # loop_ -_struct_conn_type.id _struct_conn_type.criteria +_struct_conn_type.id _struct_conn_type.reference -disulf ? ? -covale ? ? +? disulf ? +? covale ? # -loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ARG N 1 N N CA SING -ARG N 2 N N H SING -ARG N 3 N N H2 SING -ARG N 4 N CA C SING -ARG N 5 N CA CB SING -ARG N 6 N CA HA SING -ARG N 7 N C O DOUB -ARG N 8 N C OXT SING -ARG N 9 N CB CG SING -ARG N 10 N CB HB2 SING -ARG N 11 N CB HB3 SING -ARG N 12 N CG CD SING -ARG N 13 N CG HG2 SING -ARG N 14 N CG HG3 SING -ARG N 15 N CD NE SING -ARG N 16 N CD HD2 SING -ARG N 17 N CD HD3 SING -ARG N 18 N NE CZ SING -ARG N 19 N NE HE SING -ARG N 20 N CZ NH1 SING -ARG N 21 N CZ NH2 DOUB -ARG N 22 N NH1 HH11 SING -ARG N 23 N NH1 HH12 SING -ARG N 24 N NH2 HH21 SING -ARG N 25 N NH2 HH22 SING -ARG N 26 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -CYS N 1 N N CA SING -CYS N 2 N N H SING -CYS N 3 N N H2 SING -CYS N 4 N CA C SING -CYS N 5 N CA CB SING -CYS N 6 N CA HA SING -CYS N 7 N C O DOUB -CYS N 8 N C OXT SING -CYS N 9 N CB SG SING -CYS N 10 N CB HB2 SING -CYS N 11 N CB HB3 SING -CYS N 12 N SG HG SING -CYS N 13 N OXT HXT SING -DPR N 1 N N CA SING -DPR N 2 N N CD SING -DPR N 3 N N H SING -DPR N 4 N CA CB SING -DPR N 5 N CA C SING -DPR N 6 N CA HA SING -DPR N 7 N CB CG SING -DPR N 8 N CB HB2 SING -DPR N 9 N CB HB3 SING -DPR N 10 N CG CD SING -DPR N 11 N CG HG2 SING -DPR N 12 N CG HG3 SING -DPR N 13 N CD HD2 SING -DPR N 14 N CD HD3 SING -DPR N 15 N C O DOUB -DPR N 16 N C OXT SING -DPR N 17 N OXT HXT SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HIS N 1 N N CA SING -HIS N 2 N N H SING -HIS N 3 N N H2 SING -HIS N 4 N CA C SING -HIS N 5 N CA CB SING -HIS N 6 N CA HA SING -HIS N 7 N C O DOUB -HIS N 8 N C OXT SING -HIS N 9 N CB CG SING -HIS N 10 N CB HB2 SING -HIS N 11 N CB HB3 SING -HIS N 12 Y CG ND1 SING -HIS N 13 Y CG CD2 DOUB -HIS N 14 Y ND1 CE1 DOUB -HIS N 15 N ND1 HD1 SING -HIS N 16 Y CD2 NE2 SING -HIS N 17 N CD2 HD2 SING -HIS N 18 Y CE1 NE2 SING -HIS N 19 N CE1 HE1 SING -HIS N 20 N NE2 HE2 SING -HIS N 21 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -PRO N 1 N N CA SING -PRO N 2 N N CD SING -PRO N 3 N N H SING -PRO N 4 N CA C SING -PRO N 5 N CA CB SING -PRO N 6 N CA HA SING -PRO N 7 N C O DOUB -PRO N 8 N C OXT SING -PRO N 9 N CB CG SING -PRO N 10 N CB HB2 SING -PRO N 11 N CB HB3 SING -PRO N 12 N CG CD SING -PRO N 13 N CG HG2 SING -PRO N 14 N CG HG3 SING -PRO N 15 N CD HD2 SING -PRO N 16 N CD HD3 SING -PRO N 17 N OXT HXT SING -SER N 1 N N CA SING -SER N 2 N N H SING -SER N 3 N N H2 SING -SER N 4 N CA C SING -SER N 5 N CA CB SING -SER N 6 N CA HA SING -SER N 7 N C O DOUB -SER N 8 N C OXT SING -SER N 9 N CB OG SING -SER N 10 N CB HB2 SING -SER N 11 N CB HB3 SING -SER N 12 N OG HG SING -SER N 13 N OXT HXT SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_database_PDB_matrix.entry_id 4CXL +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 4CXL _atom_sites.fract_transf_matrix[1][1] 0.012713 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.012713 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.012713 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -C 3 CL 1 1001 1001 CL CL B . -D 4 HOH 1 2001 2001 HOH HOH A . -D 4 HOH 2 2002 2002 HOH HOH A . -D 4 HOH 3 2003 2003 HOH HOH A . -D 4 HOH 4 2004 2004 HOH HOH A . -D 4 HOH 5 2005 2005 HOH HOH A . -D 4 HOH 6 2006 2006 HOH HOH A . -D 4 HOH 7 2007 2007 HOH HOH A . -D 4 HOH 8 2008 2008 HOH HOH A . -D 4 HOH 9 2009 2009 HOH HOH A . -D 4 HOH 10 2010 2010 HOH HOH A . -D 4 HOH 11 2011 2011 HOH HOH A . -D 4 HOH 12 2012 2012 HOH HOH A . -D 4 HOH 13 2013 2013 HOH HOH A . -D 4 HOH 14 2014 2014 HOH HOH A . -D 4 HOH 15 2015 2015 HOH HOH A . -D 4 HOH 16 2016 2016 HOH HOH A . -D 4 HOH 17 2017 2017 HOH HOH A . -D 4 HOH 18 2018 2018 HOH HOH A . -D 4 HOH 19 2019 2019 HOH HOH A . -D 4 HOH 20 2020 2020 HOH HOH A . -D 4 HOH 21 2021 2021 HOH HOH A . -D 4 HOH 22 2022 2022 HOH HOH A . -D 4 HOH 23 2023 2023 HOH HOH A . -D 4 HOH 24 2024 2024 HOH HOH A . -D 4 HOH 25 2025 2025 HOH HOH A . -D 4 HOH 26 2026 2026 HOH HOH A . -D 4 HOH 27 2027 2027 HOH HOH A . -D 4 HOH 28 2028 2028 HOH HOH A . -D 4 HOH 29 2029 2029 HOH HOH A . -D 4 HOH 30 2030 2030 HOH HOH A . -D 4 HOH 31 2031 2031 HOH HOH A . -D 4 HOH 32 2032 2032 HOH HOH A . -D 4 HOH 33 2033 2033 HOH HOH A . -E 4 HOH 1 2001 2001 HOH HOH B . -E 4 HOH 2 2002 2002 HOH HOH B . -E 4 HOH 3 2003 2003 HOH HOH B . -E 4 HOH 4 2004 2004 HOH HOH B . -E 4 HOH 5 2005 2005 HOH HOH B . -E 4 HOH 6 2006 2006 HOH HOH B . -E 4 HOH 7 2007 2007 HOH HOH B . -E 4 HOH 8 2008 2008 HOH HOH B . -E 4 HOH 9 2009 2009 HOH HOH B . -E 4 HOH 10 2010 2010 HOH HOH B . -E 4 HOH 11 2011 2011 HOH HOH B . -E 4 HOH 12 2012 2012 HOH HOH B . -E 4 HOH 13 2013 2013 HOH HOH B . -E 4 HOH 14 2014 2014 HOH HOH B . -E 4 HOH 15 2015 2015 HOH HOH B . -E 4 HOH 16 2016 2016 HOH HOH B . -E 4 HOH 17 2017 2017 HOH HOH B . -E 4 HOH 18 2018 2018 HOH HOH B . -E 4 HOH 19 2019 2019 HOH HOH B . -E 4 HOH 20 2020 2020 HOH HOH B . -E 4 HOH 21 2021 2021 HOH HOH B . -E 4 HOH 22 2022 2022 HOH HOH B . -E 4 HOH 23 2023 2023 HOH HOH B . -E 4 HOH 24 2024 2024 HOH HOH B . +_atom_type.symbol +C +CL +N +O +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -687,493 +624,842 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . GLY A 1 1 . -13.933 8.292 7.362 1 40.66 ? N GLY A 1 1 -ATOM 2 C CA . GLY A 1 1 . -13.909 6.998 8.119 1 36.77 ? CA GLY A 1 1 -ATOM 3 C C . GLY A 1 1 . -15.338 6.439 8.015 1 33.64 ? C GLY A 1 1 -ATOM 4 O O . GLY A 1 1 . -16.062 6.662 7.02 1 28.92 ? O GLY A 1 1 -ATOM 5 N N . ILE A 1 2 . -15.76 5.766 9.067 1 27.55 ? N ILE A 2 1 -ATOM 6 C CA . ILE A 1 2 . -16.959 4.952 8.96 1 25.01 ? CA ILE A 2 1 -ATOM 7 C C . ILE A 1 2 . -18.162 5.736 8.609 1 22.85 ? C ILE A 2 1 -ATOM 8 O O . ILE A 1 2 . -19.125 5.291 7.998 1 20.97 ? O ILE A 2 1 -ATOM 9 C CB . ILE A 1 2 . -17.15 4.06 10.176 1 25.01 ? CB ILE A 2 1 -ATOM 10 C CG1 . ILE A 1 2 . -18.149 2.962 9.904 1 22.85 ? CG1 ILE A 2 1 -ATOM 11 C CG2 . ILE A 1 2 . -17.536 4.888 11.466 1 26.22 ? CG2 ILE A 2 1 -ATOM 12 C CD1 . ILE A 1 2 . -18.352 2.025 11.05 1 24.5 ? CD1 ILE A 2 1 -ATOM 13 N N . VAL A 1 3 . -18.286 6.951 9.146 1 26.89 ? N VAL A 3 1 -ATOM 14 C CA . VAL A 1 3 . -19.458 7.708 8.897 1 24.16 ? CA VAL A 3 1 -ATOM 15 C C . VAL A 1 3 . -19.611 8.122 7.383 1 23.79 ? C VAL A 3 1 -ATOM 16 O O . VAL A 1 3 . -20.755 8.061 6.82 1 24.32 ? O VAL A 3 1 -ATOM 17 C CB . VAL A 1 3 . -19.478 8.958 9.856 1 29.35 ? CB VAL A 3 1 -ATOM 18 C CG1 . VAL A 1 3 . -20.577 9.875 9.409 1 31.54 ? CG1 VAL A 3 1 -ATOM 19 C CG2 . VAL A 1 3 . -19.76 8.524 11.289 1 29.06 ? CG2 VAL A 3 1 -ATOM 20 N N . GLU A 1 4 . -18.465 8.534 6.868 1 30.65 ? N GLU A 4 1 -ATOM 21 C CA . GLU A 1 4 . -18.405 8.853 5.381 1 33.57 ? CA GLU A 4 1 -ATOM 22 C C . GLU A 1 4 . -18.766 7.664 4.552 1 29.07 ? C GLU A 4 1 -ATOM 23 O O . GLU A 1 4 . -19.569 7.794 3.578 1 31.58 ? O GLU A 4 1 -ATOM 24 C CB . GLU A 1 4 . -17.059 9.45 4.998 1 36.82 ? CB GLU A 4 1 -ATOM 25 C CG . GLU A 1 4 . -16.89 10.791 5.758 1 44.99 ? CG GLU A 4 1 -ATOM 26 C CD . GLU A 1 4 . -16.675 10.684 7.316 1 41.81 ? CD GLU A 4 1 -ATOM 27 O OE1 . GLU A 1 4 . -15.919 9.761 7.859 1 39.47 ? OE1 GLU A 4 1 -ATOM 28 O OE2 . GLU A 1 4 . -17.21 11.637 7.934 1 56.85 ? OE2 GLU A 4 1 -ATOM 29 N N . GLN A 1 5 . -18.257 6.503 4.935 1 24.65 ? N GLN A 5 1 -ATOM 30 C CA . GLN A 1 5 . -18.494 5.271 4.175 1 22.55 ? CA GLN A 5 1 -ATOM 31 C C . GLN A 1 5 . -19.832 4.621 4.279 1 27.93 ? C GLN A 5 1 -ATOM 32 O O . GLN A 1 5 . -20.335 3.962 3.398 1 25.49 ? O GLN A 5 1 -ATOM 33 C CB . GLN A 1 5 . -17.432 4.275 4.468 1 23.08 ? CB GLN A 5 1 -ATOM 34 C CG . GLN A 1 5 . -15.976 4.791 4.244 1 28.37 ? CG GLN A 5 1 -ATOM 35 C CD . GLN A 1 5 . -15.697 5.473 2.847 1 32.3 ? CD GLN A 5 1 -ATOM 36 O OE1 . GLN A 1 5 . -14.987 6.513 2.76 1 37.81 ? OE1 GLN A 5 1 -ATOM 37 N NE2 . GLN A 1 5 . -16.403 5.019 1.822 1 24.96 ? NE2 GLN A 5 1 -ATOM 38 N N . CYS A 1 6 . -20.463 4.713 5.501 1 20.69 ? N CYS A 6 1 -ATOM 39 C CA . CYS A 1 6 . -21.625 3.952 5.766 1 19.96 ? CA CYS A 6 1 -ATOM 40 C C . CYS A 1 6 . -22.916 4.731 6.058 1 17.67 ? C CYS A 6 1 -ATOM 41 O O . CYS A 1 6 . -23.99 4.21 5.979 1 19.23 ? O CYS A 6 1 -ATOM 42 C CB . CYS A 1 6 . -21.379 3.031 7.018 1 19.84 ? CB CYS A 6 1 -ATOM 43 S SG . CYS A 1 6 . -20.414 1.598 6.484 1 22.62 ? SG CYS A 6 1 -ATOM 44 N N . CYS A 1 7 . -22.79 6.061 6.392 1 21.67 ? N CYS A 7 1 -ATOM 45 C CA . CYS A 1 7 . -23.92 6.95 6.648 1 21.46 ? CA CYS A 7 1 -ATOM 46 C C . CYS A 1 7 . -24.186 7.961 5.476 1 21.17 ? C CYS A 7 1 -ATOM 47 O O . CYS A 1 7 . -25.29 7.998 5.024 1 24.03 ? O CYS A 7 1 -ATOM 48 C CB . CYS A 1 7 . -23.633 7.652 7.976 1 24.29 ? CB CYS A 7 1 -ATOM 49 S SG . CYS A 1 7 . -24.757 9.06 8.383 1 27.67 ? SG CYS A 7 1 -ATOM 50 N N . THR A 1 8 . -23.103 8.71 5.146 1 24.18 ? N THR A 8 1 -ATOM 51 C CA . THR A 1 8 . -23.163 9.7 4.037 1 28.03 ? CA THR A 8 1 -ATOM 52 C C . THR A 1 8 . -23.197 8.929 2.682 1 28.99 ? C THR A 8 1 -ATOM 53 O O . THR A 1 8 . -23.749 9.436 1.727 1 34.94 ? O THR A 8 1 -ATOM 54 C CB . THR A 1 8 . -22.136 10.822 4.205 1 26.47 ? CB THR A 8 1 -ATOM 55 O OG1 . THR A 1 8 . -20.864 10.392 4.104 1 36.66 ? OG1 THR A 8 1 -ATOM 56 C CG2 . THR A 1 8 . -22.201 11.395 5.549 1 35.02 ? CG2 THR A 8 1 -ATOM 57 N N . SER A 1 9 . -22.619 7.731 2.622 1 26.84 ? N SER A 9 1 -ATOM 58 C CA A SER A 1 9 . -22.719 6.822 1.461 0.5 24.85 ? CA SER A 9 1 -ATOM 59 C CA B SER A 1 9 . -22.818 6.836 1.463 0.5 22.96 ? CA SER A 9 1 -ATOM 60 C C . SER A 1 9 . -23.25 5.455 1.902 1 23.35 ? C SER A 9 1 -ATOM 61 O O . SER A 1 9 . -23.388 5.214 3.128 1 22.04 ? O SER A 9 1 -ATOM 62 C CB A SER A 1 9 . -21.322 6.591 0.867 0.5 25.76 ? CB SER A 9 1 -ATOM 63 C CB B SER A 1 9 . -21.513 6.741 0.678 0.5 23.33 ? CB SER A 9 1 -ATOM 64 O OG A SER A 1 9 . -20.515 7.76 0.828 0.5 28.02 ? OG SER A 9 1 -ATOM 65 O OG B SER A 1 9 . -20.442 6.129 1.407 0.5 20.01 ? OG SER A 9 1 -ATOM 66 N N . ILE A 1 10 . -23.486 4.529 0.997 1 21.68 ? N ILE A 10 1 -ATOM 67 C CA . ILE A 1 10 . -24.095 3.252 1.302 1 21.58 ? CA ILE A 10 1 -ATOM 68 C C . ILE A 1 10 . -23.033 2.273 1.877 1 21.01 ? C ILE A 10 1 -ATOM 69 O O . ILE A 1 10 . -21.954 2.118 1.364 1 20.75 ? O ILE A 10 1 -ATOM 70 C CB . ILE A 1 10 . -24.779 2.622 0.049 1 22.25 ? CB ILE A 10 1 -ATOM 71 C CG1 . ILE A 1 10 . -25.949 3.521 -0.379 1 22.6 ? CG1 ILE A 10 1 -ATOM 72 C CG2 . ILE A 1 10 . -25.343 1.278 0.304 1 25.14 ? CG2 ILE A 10 1 -ATOM 73 C CD1 . ILE A 1 10 . -26.447 3.251 -1.765 1 31.71 ? CD1 ILE A 10 1 -ATOM 74 N N . CYS A 1 11 . -23.358 1.703 3.048 1 20.09 ? N CYS A 11 1 -ATOM 75 C CA . CYS A 1 11 . -22.538 0.741 3.658 1 19.51 ? CA CYS A 11 1 -ATOM 76 C C . CYS A 1 11 . -22.376 -0.584 2.952 1 21.87 ? C CYS A 11 1 -ATOM 77 O O . CYS A 1 11 . -23.061 -0.802 1.98 1 24.02 ? O CYS A 11 1 -ATOM 78 C CB . CYS A 1 11 . -23.093 0.596 5.088 1 19.48 ? CB CYS A 11 1 -ATOM 79 S SG . CYS A 1 11 . -21.876 0.059 6.406 1 22.91 ? SG CYS A 11 1 -ATOM 80 N N . SER A 1 12 . -21.426 -1.398 3.42 1 22.17 ? N SER A 12 1 -ATOM 81 C CA . SER A 1 12 . -21.18 -2.771 2.902 1 22.74 ? CA SER A 12 1 -ATOM 82 C C . SER A 1 12 . -20.757 -3.626 4.082 1 19.5 ? C SER A 12 1 -ATOM 83 O O . SER A 1 12 . -20.097 -3.159 5.051 1 19.44 ? O SER A 12 1 -ATOM 84 C CB . SER A 1 12 . -20.094 -2.784 1.859 1 21.82 ? CB SER A 12 1 -ATOM 85 O OG . SER A 1 12 . -18.754 -2.567 2.267 1 22.5 ? OG SER A 12 1 -ATOM 86 N N . LEU A 1 13 . -20.963 -4.928 3.919 1 19.45 ? N LEU A 13 1 -ATOM 87 C CA . LEU A 1 13 . -20.472 -5.93 4.905 1 18.36 ? CA LEU A 13 1 -ATOM 88 C C . LEU A 1 13 . -19.008 -5.923 5.002 1 19.42 ? C LEU A 13 1 -ATOM 89 O O . LEU A 1 13 . -18.357 -5.99 6.057 1 18.22 ? O LEU A 13 1 -ATOM 90 C CB . LEU A 1 13 . -21.012 -7.29 4.619 1 18.09 ? CB LEU A 13 1 -ATOM 91 C CG . LEU A 1 13 . -20.602 -8.393 5.569 1 17.53 ? CG LEU A 13 1 -ATOM 92 C CD1 . LEU A 1 13 . -21.077 -8.162 7.011 1 17.51 ? CD1 LEU A 13 1 -ATOM 93 C CD2 . LEU A 1 13 . -21.124 -9.705 5.011 1 16.76 ? CD2 LEU A 13 1 -ATOM 94 N N . TYR A 1 14 . -18.325 -5.8 3.832 1 19.49 ? N TYR A 14 1 -ATOM 95 C CA . TYR A 1 14 . -16.953 -5.742 3.741 1 20.91 ? CA TYR A 14 1 -ATOM 96 C C . TYR A 1 14 . -16.328 -4.676 4.657 1 20.35 ? C TYR A 14 1 -ATOM 97 O O . TYR A 1 14 . -15.366 -4.875 5.364 1 22.94 ? O TYR A 14 1 -ATOM 98 C CB . TYR A 1 14 . -16.639 -5.456 2.197 1 26.2 ? CB TYR A 14 1 -ATOM 99 C CG . TYR A 1 14 . -15.208 -5.456 1.977 1 25.47 ? CG TYR A 14 1 -ATOM 100 C CD1 . TYR A 1 14 . -14.364 -4.368 2.361 1 27.67 ? CD1 TYR A 14 1 -ATOM 101 C CD2 . TYR A 1 14 . -14.623 -6.596 1.509 1 28.26 ? CD2 TYR A 14 1 -ATOM 102 C CE1 . TYR A 1 14 . -13.004 -4.386 2.218 1 32.31 ? CE1 TYR A 14 1 -ATOM 103 C CE2 . TYR A 1 14 . -13.227 -6.638 1.337 1 29.33 ? CE2 TYR A 14 1 -ATOM 104 C CZ . TYR A 1 14 . -12.432 -5.558 1.75 1 29.08 ? CZ TYR A 14 1 -ATOM 105 O OH . TYR A 1 14 . -11.062 -5.599 1.565 1 38.4 ? OH TYR A 14 1 -ATOM 106 N N A GLN A 1 15 . -16.892 -3.469 4.544 0.5 20.48 ? N GLN A 15 1 -ATOM 107 N N B GLN A 1 15 . -16.975 -3.49 4.55 0.5 21.8 ? N GLN A 15 1 -ATOM 108 C CA A GLN A 1 15 . -16.359 -2.409 5.348 0.5 18.8 ? CA GLN A 15 1 -ATOM 109 C CA B GLN A 1 15 . -16.642 -2.266 5.296 0.5 22.18 ? CA GLN A 15 1 -ATOM 110 C C A GLN A 1 15 . -16.743 -2.585 6.822 0.5 15.73 ? C GLN A 15 1 -ATOM 111 C C B GLN A 1 15 . -16.912 -2.317 6.825 0.5 19.08 ? C GLN A 15 1 -ATOM 112 O O A GLN A 1 15 . -15.835 -2.404 7.614 0.5 17.63 ? O GLN A 15 1 -ATOM 113 O O B GLN A 1 15 . -16.263 -1.681 7.659 0.5 18.99 ? O GLN A 15 1 -ATOM 114 C CB A GLN A 1 15 . -16.787 -1.001 4.855 0.5 18.91 ? CB GLN A 15 1 -ATOM 115 C CB B GLN A 1 15 . -17.457 -1.089 4.706 0.5 23.62 ? CB GLN A 15 1 -ATOM 116 C CG A GLN A 1 15 . -16.278 -0.713 3.434 0.5 20.06 ? CG GLN A 15 1 -ATOM 117 C CG B GLN A 1 15 . -16.888 -0.606 3.342 0.5 28.03 ? CG GLN A 15 1 -ATOM 118 C CD A GLN A 1 15 . -16.613 0.692 2.972 0.5 19.71 ? CD GLN A 15 1 -ATOM 119 C CD B GLN A 1 15 . -15.463 -0.159 3.496 0.5 29.77 ? CD GLN A 15 1 -ATOM 120 O OE1 A GLN A 1 15 . -15.933 1.697 3.388 0.5 21.62 ? OE1 GLN A 15 1 -ATOM 121 O OE1 B GLN A 1 15 . -15.188 0.558 4.473 0.5 36.52 ? OE1 GLN A 15 1 -ATOM 122 N NE2 A GLN A 1 15 . -17.628 0.829 2.161 0.5 18.57 ? NE2 GLN A 15 1 -ATOM 123 N NE2 B GLN A 1 15 . -14.515 -0.628 2.613 0.5 33.05 ? NE2 GLN A 15 1 -ATOM 124 N N . LEU A 1 16 . -18.035 -2.917 7.115 1 18.3 ? N LEU A 16 1 -ATOM 125 C CA . LEU A 1 16 . -18.328 -3.119 8.565 1 17.28 ? CA LEU A 16 1 -ATOM 126 C C . LEU A 1 16 . -17.361 -4.053 9.219 1 18.25 ? C LEU A 16 1 -ATOM 127 O O . LEU A 1 16 . -16.94 -3.833 10.38 1 17.78 ? O LEU A 16 1 -ATOM 128 C CB . LEU A 1 16 . -19.749 -3.496 8.765 1 17.28 ? CB LEU A 16 1 -ATOM 129 C CG . LEU A 1 16 . -20.808 -2.513 8.473 1 18.7 ? CG LEU A 16 1 -ATOM 130 C CD1 . LEU A 1 16 . -22.148 -3.16 8.462 1 21.26 ? CD1 LEU A 16 1 -ATOM 131 C CD2 . LEU A 1 16 . -20.804 -1.397 9.537 1 21.79 ? CD2 LEU A 16 1 -ATOM 132 N N . GLU A 1 17 . -17.001 -5.199 8.579 1 16.2 ? N GLU A 17 1 -ATOM 133 C CA . GLU A 1 17 . -16.153 -6.129 9.169 1 16.34 ? CA GLU A 17 1 -ATOM 134 C C . GLU A 1 17 . -14.712 -5.637 9.485 1 16.77 ? C GLU A 17 1 -ATOM 135 O O . GLU A 1 17 . -14.071 -6.2 10.401 1 20.87 ? O GLU A 17 1 -ATOM 136 C CB . GLU A 1 17 . -16.102 -7.515 8.412 1 18.18 ? CB GLU A 17 1 -ATOM 137 C CG . GLU A 1 17 . -17.343 -8.285 8.549 1 17.72 ? CG GLU A 17 1 -ATOM 138 C CD . GLU A 1 17 . -17.246 -9.735 8.216 1 19.29 ? CD GLU A 17 1 -ATOM 139 O OE1 . GLU A 1 17 . -16.265 -10.191 7.587 1 19.71 ? OE1 GLU A 17 1 -ATOM 140 O OE2 . GLU A 1 17 . -18.138 -10.536 8.558 1 18.44 ? OE2 GLU A 17 1 -ATOM 141 N N . ASN A 1 18 . -14.358 -4.613 8.768 1 18.59 ? N ASN A 18 1 -ATOM 142 C CA . ASN A 1 18 . -13.064 -3.995 9.045 1 20.01 ? CA ASN A 18 1 -ATOM 143 C C . ASN A 1 18 . -13.014 -3.396 10.447 1 21.85 ? C ASN A 18 1 -ATOM 144 O O . ASN A 1 18 . -11.922 -3.175 10.966 1 25.24 ? O ASN A 18 1 -ATOM 145 C CB . ASN A 1 18 . -12.729 -2.931 8.076 1 24.35 ? CB ASN A 18 1 -ATOM 146 C CG . ASN A 1 18 . -12.174 -3.488 6.75 1 29.37 ? CG ASN A 18 1 -ATOM 147 O OD1 . ASN A 1 18 . -11.645 -4.602 6.709 1 29.64 ? OD1 ASN A 18 1 -ATOM 148 N ND2 . ASN A 1 18 . -12.39 -2.766 5.77 1 30.51 ? ND2 ASN A 18 1 -ATOM 149 N N . TYR A 1 19 . -14.176 -3.086 11.027 1 19.17 ? N TYR A 19 1 -ATOM 150 C CA . TYR A 1 19 . -14.242 -2.513 12.399 1 22.03 ? CA TYR A 19 1 -ATOM 151 C C . TYR A 1 19 . -14.505 -3.541 13.452 1 18.85 ? C TYR A 19 1 -ATOM 152 O O . TYR A 1 19 . -14.563 -3.17 14.677 1 22.53 ? O TYR A 19 1 -ATOM 153 C CB . TYR A 1 19 . -15.224 -1.355 12.414 1 16.02 ? CB TYR A 19 1 -ATOM 154 C CG . TYR A 1 19 . -14.925 -0.24 11.534 1 21.6 ? CG TYR A 19 1 -ATOM 155 C CD1 . TYR A 1 19 . -13.945 0.695 11.905 1 24.79 ? CD1 TYR A 19 1 -ATOM 156 C CD2 . TYR A 1 19 . -15.409 -0.23 10.24 1 24.2 ? CD2 TYR A 19 1 -ATOM 157 C CE1 . TYR A 1 19 . -13.613 1.666 11.022 1 28.99 ? CE1 TYR A 19 1 -ATOM 158 C CE2 . TYR A 1 19 . -15.011 0.756 9.339 1 25.55 ? CE2 TYR A 19 1 -ATOM 159 C CZ . TYR A 1 19 . -14.113 1.686 9.801 1 26.71 ? CZ TYR A 19 1 -ATOM 160 O OH . TYR A 1 19 . -13.679 2.736 8.993 1 37.55 ? OH TYR A 19 1 -ATOM 161 N N . CYS A 1 20 . -14.644 -4.866 13.218 1 18.92 ? N CYS A 20 1 -ATOM 162 C CA . CYS A 1 20 . -14.758 -5.871 14.196 1 19.59 ? CA CYS A 20 1 -ATOM 163 C C . CYS A 1 20 . -13.373 -6.11 14.819 1 24.37 ? C CYS A 20 1 -ATOM 164 O O . CYS A 1 20 . -12.31 -5.913 14.152 1 25.1 ? O CYS A 20 1 -ATOM 165 C CB . CYS A 1 20 . -15.251 -7.134 13.572 1 21.77 ? CB CYS A 20 1 -ATOM 166 S SG . CYS A 1 20 . -16.78 -7.148 12.791 1 19.5 ? SG CYS A 20 1 -ATOM 167 N N . ASN A 1 21 . -13.35 -6.435 16.109 1 25.53 ? N ASN A 21 1 -ATOM 168 C CA . ASN A 1 21 . -12.078 -6.782 16.762 1 29.23 ? CA ASN A 21 1 -ATOM 169 C C . ASN A 1 21 . -11.669 -8.192 16.221 1 33.18 ? C ASN A 21 1 -ATOM 170 O O . ASN A 1 21 . -12.49 -9.019 15.696 1 31.89 ? O ASN A 21 1 -ATOM 171 C CB . ASN A 1 21 . -12.241 -6.781 18.324 1 28.3 ? CB ASN A 21 1 -ATOM 172 C CG . ASN A 1 21 . -12.539 -5.443 18.881 1 25.98 ? CG ASN A 21 1 -ATOM 173 O OD1 . ASN A 1 21 . -12.008 -4.443 18.514 1 30.1 ? OD1 ASN A 21 1 -ATOM 174 N ND2 . ASN A 1 21 . -13.524 -5.434 19.797 1 26.16 ? ND2 ASN A 21 1 -ATOM 175 O OXT . ASN A 1 21 . -10.505 -8.485 16.513 1 41.51 ? OXT ASN A 21 1 -ATOM 176 N N . PHE B 2 1 . -29.772 -5.78 5.834 1 38.71 ? N PHE B 1 1 -ATOM 177 C CA . PHE B 2 1 . -29.805 -4.649 6.773 1 39.79 ? CA PHE B 1 1 -ATOM 178 C C . PHE B 2 1 . -28.498 -3.904 6.503 1 26.85 ? C PHE B 1 1 -ATOM 179 O O . PHE B 2 1 . -28.444 -2.691 6.896 1 37.19 ? O PHE B 1 1 -ATOM 180 C CB . PHE B 2 1 . -29.994 -5.044 8.323 1 43.34 ? CB PHE B 1 1 -ATOM 181 C CG . PHE B 2 1 . -28.966 -6.025 8.871 1 38.87 ? CG PHE B 1 1 -ATOM 182 C CD1 . PHE B 2 1 . -28.952 -7.354 8.504 1 46.54 ? CD1 PHE B 1 1 -ATOM 183 C CD2 . PHE B 2 1 . -28.008 -5.601 9.707 1 41.03 ? CD2 PHE B 1 1 -ATOM 184 C CE1 . PHE B 2 1 . -28 -8.247 8.968 1 42.83 ? CE1 PHE B 1 1 -ATOM 185 C CE2 . PHE B 2 1 . -27.058 -6.494 10.176 1 35.35 ? CE2 PHE B 1 1 -ATOM 186 C CZ . PHE B 2 1 . -27.051 -7.786 9.826 1 37.65 ? CZ PHE B 1 1 -ATOM 187 N N . VAL B 2 2 . -27.443 -4.52 5.88 1 26.07 ? N VAL B 2 1 -ATOM 188 C CA . VAL B 2 2 . -26.184 -3.749 5.86 1 24.37 ? CA VAL B 2 1 -ATOM 189 C C . VAL B 2 2 . -25.927 -2.842 4.641 1 26.34 ? C VAL B 2 1 -ATOM 190 O O . VAL B 2 2 . -25.167 -1.898 4.716 1 23.8 ? O VAL B 2 1 -ATOM 191 C CB . VAL B 2 2 . -24.92 -4.525 6.12 1 25.6 ? CB VAL B 2 1 -ATOM 192 C CG1 . VAL B 2 2 . -25.055 -5.372 7.435 1 25.82 ? CG1 VAL B 2 1 -ATOM 193 C CG2 . VAL B 2 2 . -24.596 -5.467 5.001 1 33.14 ? CG2 VAL B 2 1 -ATOM 194 N N . ASN B 2 3 . -26.684 -3.084 3.558 1 25.81 ? N ASN B 3 1 -ATOM 195 C CA . ASN B 2 3 . -26.338 -2.44 2.294 1 28.23 ? CA ASN B 3 1 -ATOM 196 C C . ASN B 2 3 . -27.246 -1.237 2.066 1 30.5 ? C ASN B 3 1 -ATOM 197 O O . ASN B 2 3 . -28.067 -1.155 1.198 1 33.05 ? O ASN B 3 1 -ATOM 198 C CB . ASN B 2 3 . -26.316 -3.44 1.09 1 26.28 ? CB ASN B 3 1 -ATOM 199 C CG . ASN B 2 3 . -25.259 -4.488 1.232 1 20.47 ? CG ASN B 3 1 -ATOM 200 O OD1 . ASN B 2 3 . -25.712 -5.7 1.58 1 33.2 ? OD1 ASN B 3 1 -ATOM 201 N ND2 . ASN B 2 3 . -24.095 -4.281 1.024 1 22.48 ? ND2 ASN B 3 1 -ATOM 202 N N . GLN B 2 4 . -27.135 -0.271 2.982 1 23.92 ? N GLN B 4 1 -ATOM 203 C CA . GLN B 2 4 . -27.941 0.932 2.997 1 23.43 ? CA GLN B 4 1 -ATOM 204 C C . GLN B 2 4 . -27.19 1.998 3.803 1 21.48 ? C GLN B 4 1 -ATOM 205 O O . GLN B 2 4 . -26.077 1.786 4.307 1 21.53 ? O GLN B 4 1 -ATOM 206 C CB . GLN B 2 4 . -29.307 0.683 3.574 1 30.39 ? CB GLN B 4 1 -ATOM 207 C CG . GLN B 2 4 . -29.202 0.204 5.027 1 32.69 ? CG GLN B 4 1 -ATOM 208 C CD . GLN B 2 4 . -30.545 -0.13 5.737 1 48.57 ? CD GLN B 4 1 -ATOM 209 O OE1 . GLN B 2 4 . -30.746 -1.235 6.299 1 49.07 ? OE1 GLN B 4 1 -ATOM 210 N NE2 . GLN B 2 4 . -31.422 0.842 5.796 1 45.24 ? NE2 GLN B 4 1 -ATOM 211 N N . HIS B 2 5 . -27.759 3.195 3.809 1 23.52 ? N HIS B 5 1 -ATOM 212 C CA . HIS B 2 5 . -27.222 4.304 4.663 1 21.49 ? CA HIS B 5 1 -ATOM 213 C C . HIS B 2 5 . -27.611 4.064 6.16 1 22.96 ? C HIS B 5 1 -ATOM 214 O O . HIS B 2 5 . -28.768 3.78 6.435 1 25.35 ? O HIS B 5 1 -ATOM 215 C CB . HIS B 2 5 . -27.91 5.614 4.298 1 24.06 ? CB HIS B 5 1 -ATOM 216 C CG . HIS B 2 5 . -27.66 6.097 2.874 1 25.52 ? CG HIS B 5 1 -ATOM 217 N ND1 . HIS B 2 5 . -26.571 6.838 2.541 1 29.29 ? ND1 HIS B 5 1 -ATOM 218 C CD2 . HIS B 2 5 . -28.345 5.886 1.738 1 29.95 ? CD2 HIS B 5 1 -ATOM 219 C CE1 . HIS B 2 5 . -26.589 7.085 1.225 1 29.36 ? CE1 HIS B 5 1 -ATOM 220 N NE2 . HIS B 2 5 . -27.644 6.508 0.743 1 29.26 ? NE2 HIS B 5 1 -ATOM 221 N N . LEU B 2 6 . -26.598 3.917 6.938 1 20.77 ? N LEU B 6 1 -ATOM 222 C CA . LEU B 2 6 . -26.687 3.585 8.415 1 19.53 ? CA LEU B 6 1 -ATOM 223 C C . LEU B 2 6 . -25.975 4.704 9.17 1 18.59 ? C LEU B 6 1 -ATOM 224 O O . LEU B 2 6 . -24.801 4.936 9.112 1 19.62 ? O LEU B 6 1 -ATOM 225 C CB . LEU B 2 6 . -26.022 2.239 8.643 1 20.76 ? CB LEU B 6 1 -ATOM 226 C CG . LEU B 2 6 . -26.576 1.028 7.938 1 20.81 ? CG LEU B 6 1 -ATOM 227 C CD1 . LEU B 2 6 . -25.623 -0.09 8.033 1 23.72 ? CD1 LEU B 6 1 -ATOM 228 C CD2 . LEU B 2 6 . -27.925 0.835 8.466 1 26.47 ? CD2 LEU B 6 1 -ATOM 229 N N . CYS B 2 7 . -26.784 5.491 9.984 1 19.64 ? N CYS B 7 1 -ATOM 230 C CA . CYS B 2 7 . -26.28 6.612 10.662 1 21.46 ? CA CYS B 7 1 -ATOM 231 C C . CYS B 2 7 . -26.494 6.556 12.219 1 16.78 ? C CYS B 7 1 -ATOM 232 O O . CYS B 2 7 . -27.487 5.953 12.588 1 19.55 ? O CYS B 7 1 -ATOM 233 C CB . CYS B 2 7 . -26.878 7.936 10.187 1 21.05 ? CB CYS B 7 1 -ATOM 234 S SG . CYS B 2 7 . -26.544 8.265 8.367 1 27.52 ? SG CYS B 7 1 -HETATM 235 N N . DPR B 2 8 . -25.569 7.08 12.916 1 15.79 ? N DPR B 8 1 -HETATM 236 C CA . DPR B 2 8 . -25.725 7.157 14.406 1 18.6 ? CA DPR B 8 1 -HETATM 237 C CB . DPR B 2 8 . -24.466 7.728 14.888 1 19.4 ? CB DPR B 8 1 -HETATM 238 C CG . DPR B 2 8 . -23.957 8.582 13.715 1 23.64 ? CG DPR B 8 1 -HETATM 239 C CD . DPR B 2 8 . -24.334 7.741 12.534 1 20.47 ? CD DPR B 8 1 -HETATM 240 C C . DPR B 2 8 . -26.017 5.82 15.001 1 16.31 ? C DPR B 8 1 -HETATM 241 O O . DPR B 2 8 . -25.287 4.825 14.786 1 16.93 ? O DPR B 8 1 -ATOM 242 N N . SER B 2 9 . -27.062 5.681 15.842 1 15.98 ? N SER B 9 1 -ATOM 243 C CA . SER B 2 9 . -27.368 4.435 16.512 1 15.26 ? CA SER B 9 1 -ATOM 244 C C . SER B 2 9 . -27.618 3.281 15.539 1 16.67 ? C SER B 9 1 -ATOM 245 O O . SER B 2 9 . -27.413 2.145 15.949 1 16.35 ? O SER B 9 1 -ATOM 246 C CB . SER B 2 9 . -28.499 4.623 17.505 1 16.99 ? CB SER B 9 1 -ATOM 247 O OG . SER B 2 9 . -29.735 4.799 16.897 1 19.66 ? OG SER B 9 1 -ATOM 248 N N . HIS B 2 10 . -28.103 3.621 14.353 1 17.85 ? N HIS B 10 1 -ATOM 249 C CA . HIS B 2 10 . -28.387 2.613 13.318 1 17.96 ? CA HIS B 10 1 -ATOM 250 C C . HIS B 2 10 . -27.061 1.97 12.857 1 16.48 ? C HIS B 10 1 -ATOM 251 O O . HIS B 2 10 . -27.069 0.735 12.58 1 18.62 ? O HIS B 10 1 -ATOM 252 C CB . HIS B 2 10 . -29.143 3.219 12.165 1 18.93 ? CB HIS B 10 1 -ATOM 253 C CG . HIS B 2 10 . -30.444 3.86 12.518 1 21.53 ? CG HIS B 10 1 -ATOM 254 N ND1 . HIS B 2 10 . -31.324 4.323 11.557 1 29.73 ? ND1 HIS B 10 1 -ATOM 255 C CD2 . HIS B 2 10 . -30.978 4.19 13.704 1 20.45 ? CD2 HIS B 10 1 -ATOM 256 C CE1 . HIS B 2 10 . -32.417 4.772 12.163 1 23.84 ? CE1 HIS B 10 1 -ATOM 257 N NE2 . HIS B 2 10 . -32.224 4.762 13.477 1 22.96 ? NE2 HIS B 10 1 -ATOM 258 N N . LEU B 2 11 . -26.055 2.746 12.698 1 17.14 ? N LEU B 11 1 -ATOM 259 C CA . LEU B 2 11 . -24.741 2.261 12.344 1 17.34 ? CA LEU B 11 1 -ATOM 260 C C . LEU B 2 11 . -24.157 1.427 13.465 1 16.88 ? C LEU B 11 1 -ATOM 261 O O . LEU B 2 11 . -23.569 0.292 13.219 1 15.79 ? O LEU B 11 1 -ATOM 262 C CB . LEU B 2 11 . -23.821 3.392 12.012 1 17.83 ? CB LEU B 11 1 -ATOM 263 C CG . LEU B 2 11 . -22.357 3.125 11.63 1 18.19 ? CG LEU B 11 1 -ATOM 264 C CD1 . LEU B 2 11 . -22.274 2.116 10.47 1 18.98 ? CD1 LEU B 11 1 -ATOM 265 C CD2 . LEU B 2 11 . -21.769 4.468 11.291 1 21.63 ? CD2 LEU B 11 1 -ATOM 266 N N . VAL B 2 12 . -24.244 1.89 14.747 1 15.38 ? N VAL B 12 1 -ATOM 267 C CA . VAL B 2 12 . -23.763 1.104 15.815 1 15.96 ? CA VAL B 12 1 -ATOM 268 C C . VAL B 2 12 . -24.481 -0.226 15.975 1 14.16 ? C VAL B 12 1 -ATOM 269 O O . VAL B 2 12 . -23.878 -1.247 16.226 1 15.53 ? O VAL B 12 1 -ATOM 270 C CB . VAL B 2 12 . -23.881 1.983 17.136 1 16.16 ? CB VAL B 12 1 -ATOM 271 C CG1 . VAL B 2 12 . -23.558 1.132 18.358 1 17.94 ? CG1 VAL B 12 1 -ATOM 272 C CG2 . VAL B 2 12 . -22.928 3.186 17.055 1 18.39 ? CG2 VAL B 12 1 -ATOM 273 N N . GLU B 2 13 . -25.798 -0.227 15.763 1 15.12 ? N GLU B 13 1 -ATOM 274 C CA . GLU B 2 13 . -26.566 -1.502 15.711 1 17.18 ? CA GLU B 13 1 -ATOM 275 C C . GLU B 2 13 . -26.022 -2.525 14.666 1 14.55 ? C GLU B 13 1 -ATOM 276 O O . GLU B 2 13 . -25.917 -3.716 14.973 1 16.13 ? O GLU B 13 1 -ATOM 277 C CB . GLU B 2 13 . -28.015 -1.161 15.493 1 18.73 ? CB GLU B 13 1 -ATOM 278 C CG . GLU B 2 13 . -28.883 -2.383 15.429 1 23.7 ? CG GLU B 13 1 -ATOM 279 C CD . GLU B 2 13 . -30.411 -2.058 15.646 1 26.63 ? CD GLU B 13 1 -ATOM 280 O OE1 . GLU B 2 13 . -30.807 -1.583 16.77 1 29.68 ? OE1 GLU B 13 1 -ATOM 281 O OE2 . GLU B 2 13 . -31.03 -2.28 14.627 1 34.61 ? OE2 GLU B 13 1 -ATOM 282 N N . ALA B 2 14 . -25.766 -1.986 13.477 1 16.18 ? N ALA B 14 1 -ATOM 283 C CA . ALA B 2 14 . -25.205 -2.91 12.459 1 15.69 ? CA ALA B 14 1 -ATOM 284 C C . ALA B 2 14 . -23.892 -3.417 12.762 1 16.37 ? C ALA B 14 1 -ATOM 285 O O . ALA B 2 14 . -23.623 -4.636 12.595 1 16.78 ? O ALA B 14 1 -ATOM 286 C CB . ALA B 2 14 . -25.155 -2.144 11.149 1 18.49 ? CB ALA B 14 1 -ATOM 287 N N . LEU B 2 15 . -22.988 -2.654 13.315 1 15.65 ? N LEU B 15 1 -ATOM 288 C CA . LEU B 2 15 . -21.665 -3.154 13.801 1 15.59 ? CA LEU B 15 1 -ATOM 289 C C . LEU B 2 15 . -21.829 -4.222 14.832 1 15.45 ? C LEU B 15 1 -ATOM 290 O O . LEU B 2 15 . -21.183 -5.251 14.863 1 17.37 ? O LEU B 15 1 -ATOM 291 C CB . LEU B 2 15 . -20.805 -2.011 14.388 1 16.66 ? CB LEU B 15 1 -ATOM 292 C CG . LEU B 2 15 . -20.132 -1.025 13.436 1 19.63 ? CG LEU B 15 1 -ATOM 293 C CD1 . LEU B 2 15 . -19.663 0.251 14.174 1 19.57 ? CD1 LEU B 15 1 -ATOM 294 C CD2 . LEU B 2 15 . -18.938 -1.745 12.73 1 21.2 ? CD2 LEU B 15 1 -ATOM 295 N N . TYR B 2 16 . -22.748 -3.972 15.83 1 16.03 ? N TYR B 16 1 -ATOM 296 C CA . TYR B 2 16 . -22.998 -4.944 16.851 1 16.5 ? CA TYR B 16 1 -ATOM 297 C C . TYR B 2 16 . -23.469 -6.291 16.29 1 15.38 ? C TYR B 16 1 -ATOM 298 O O . TYR B 2 16 . -22.928 -7.34 16.686 1 17.36 ? O TYR B 16 1 -ATOM 299 C CB . TYR B 2 16 . -24.107 -4.339 17.773 1 16.05 ? CB TYR B 16 1 -ATOM 300 C CG . TYR B 2 16 . -24.616 -5.373 18.823 1 16.28 ? CG TYR B 16 1 -ATOM 301 C CD1 . TYR B 2 16 . -23.838 -5.858 19.879 1 16.95 ? CD1 TYR B 16 1 -ATOM 302 C CD2 . TYR B 2 16 . -25.888 -5.816 18.753 1 15.68 ? CD2 TYR B 16 1 -ATOM 303 C CE1 . TYR B 2 16 . -24.32 -6.853 20.725 1 18.12 ? CE1 TYR B 16 1 -ATOM 304 C CE2 . TYR B 2 16 . -26.434 -6.789 19.559 1 16.51 ? CE2 TYR B 16 1 -ATOM 305 C CZ . TYR B 2 16 . -25.632 -7.272 20.61 1 17.28 ? CZ TYR B 16 1 -ATOM 306 O OH . TYR B 2 16 . -26.154 -8.206 21.475 1 17.96 ? OH TYR B 16 1 -ATOM 307 N N . LEU B 2 17 . -24.442 -6.196 15.352 1 14.83 ? N LEU B 17 1 -ATOM 308 C CA . LEU B 2 17 . -25.036 -7.445 14.763 1 16.39 ? CA LEU B 17 1 -ATOM 309 C C . LEU B 2 17 . -23.944 -8.197 13.877 1 18.29 ? C LEU B 17 1 -ATOM 310 O O . LEU B 2 17 . -23.814 -9.426 13.978 1 20.18 ? O LEU B 17 1 -ATOM 311 C CB . LEU B 2 17 . -26.3 -7.07 13.905 1 18.1 ? CB LEU B 17 1 -ATOM 312 C CG . LEU B 2 17 . -27.421 -6.682 14.811 1 19.5 ? CG LEU B 17 1 -ATOM 313 C CD1 . LEU B 2 17 . -28.569 -6.231 13.957 1 22.23 ? CD1 LEU B 17 1 -ATOM 314 C CD2 . LEU B 2 17 . -27.842 -7.847 15.695 1 22.56 ? CD2 LEU B 17 1 -ATOM 315 N N . VAL B 2 18 . -23.223 -7.485 13.115 1 17.09 ? N VAL B 18 1 -ATOM 316 C CA . VAL B 2 18 . -22.186 -8.103 12.18 1 17.7 ? CA VAL B 18 1 -ATOM 317 C C . VAL B 2 18 . -21.047 -8.71 12.954 1 18.58 ? C VAL B 18 1 -ATOM 318 O O . VAL B 2 18 . -20.543 -9.82 12.675 1 19.9 ? O VAL B 18 1 -ATOM 319 C CB . VAL B 2 18 . -21.67 -7.004 11.186 1 19.15 ? CB VAL B 18 1 -ATOM 320 C CG1 . VAL B 2 18 . -20.311 -7.41 10.531 1 19.59 ? CG1 VAL B 18 1 -ATOM 321 C CG2 . VAL B 2 18 . -22.741 -6.716 10.168 1 21.81 ? CG2 VAL B 18 1 -ATOM 322 N N . CYS B 2 19 . -20.578 -8.019 14.003 1 15.8 ? N CYS B 19 1 -ATOM 323 C CA . CYS B 2 19 . -19.372 -8.364 14.749 1 16.37 ? CA CYS B 19 1 -ATOM 324 C C . CYS B 2 19 . -19.575 -9.451 15.789 1 20.55 ? C CYS B 19 1 -ATOM 325 O O . CYS B 2 19 . -18.565 -10.052 16.181 1 22.95 ? O CYS B 19 1 -ATOM 326 C CB . CYS B 2 19 . -18.642 -7.119 15.223 1 18.72 ? CB CYS B 19 1 -ATOM 327 S SG . CYS B 2 19 . -18.073 -6.029 13.935 1 17.5 ? SG CYS B 19 1 -ATOM 328 N N . GLY B 2 20 . -20.753 -9.561 16.291 1 21.89 ? N GLY B 20 1 -ATOM 329 C CA . GLY B 2 20 . -21.088 -10.605 17.297 1 26.99 ? CA GLY B 20 1 -ATOM 330 C C . GLY B 2 20 . -20.173 -10.624 18.502 1 29.1 ? C GLY B 20 1 -ATOM 331 O O . GLY B 2 20 . -19.873 -9.559 19.064 1 26.63 ? O GLY B 20 1 -ATOM 332 N N . GLU B 2 21 . -19.595 -11.79 18.836 1 28.28 ? N GLU B 21 1 -ATOM 333 C CA . GLU B 2 21 . -18.902 -11.996 20.087 1 31.32 ? CA GLU B 21 1 -ATOM 334 C C . GLU B 2 21 . -17.536 -11.36 20.086 1 28.7 ? C GLU B 21 1 -ATOM 335 O O . GLU B 2 21 . -16.929 -11.218 21.123 1 35.56 ? O GLU B 21 1 -ATOM 336 C CB . GLU B 2 21 . -18.841 -13.52 20.387 1 34.83 ? CB GLU B 21 1 -ATOM 337 C CG . GLU B 2 21 . -17.607 -14.263 19.872 1 45.1 ? CG GLU B 21 1 -ATOM 338 N N . ARG B 2 22 . -17.042 -10.926 18.897 1 28.89 ? N ARG B 22 1 -ATOM 339 C CA A ARG B 2 22 . -15.753 -10.243 18.775 0.5 29.14 ? CA ARG B 22 1 -ATOM 340 C CA B ARG B 2 22 . -15.743 -10.225 18.736 0.5 30.45 ? CA ARG B 22 1 -ATOM 341 C C . ARG B 2 22 . -15.839 -8.774 19.275 1 26.52 ? C ARG B 22 1 -ATOM 342 O O . ARG B 2 22 . -14.845 -8.158 19.732 1 27.46 ? O ARG B 22 1 -ATOM 343 C CB A ARG B 2 22 . -15.316 -10.266 17.313 0.5 33.06 ? CB ARG B 22 1 -ATOM 344 C CB B ARG B 2 22 . -15.311 -10.1 17.25 0.5 36.51 ? CB ARG B 22 1 -ATOM 345 C CG A ARG B 2 22 . -15.397 -11.658 16.684 0.5 36.04 ? CG ARG B 22 1 -ATOM 346 C CG B ARG B 2 22 . -15.324 -11.34 16.354 0.5 42.26 ? CG ARG B 22 1 -ATOM 347 C CD B ARG B 2 22 . -14.171 -12.302 16.618 0.5 44.13 ? CD ARG B 22 1 -ATOM 348 N NE B ARG B 2 22 . -12.84 -11.76 16.384 0.5 44.7 ? NE ARG B 22 1 -ATOM 349 C CZ B ARG B 2 22 . -11.87 -11.807 17.283 0.5 47.19 ? CZ ARG B 22 1 -ATOM 350 N NH1 B ARG B 2 22 . -12.096 -12.345 18.462 0.5 52.15 ? NH1 ARG B 22 1 -ATOM 351 N NH2 B ARG B 2 22 . -10.676 -11.324 17.009 0.5 46.44 ? NH2 ARG B 22 1 -ATOM 352 N N . GLY B 2 23 . -17.021 -8.185 19.18 1 23.5 ? N GLY B 23 1 -ATOM 353 C CA . GLY B 2 23 . -17.144 -6.769 19.345 1 22.26 ? CA GLY B 23 1 -ATOM 354 C C . GLY B 2 23 . -16.486 -5.957 18.283 1 19.64 ? C GLY B 23 1 -ATOM 355 O O . GLY B 2 23 . -16.062 -6.507 17.2 1 19.65 ? O GLY B 23 1 -ATOM 356 N N . PHE B 2 24 . -16.378 -4.648 18.468 1 18.16 ? N PHE B 24 1 -ATOM 357 C CA . PHE B 2 24 . -15.972 -3.758 17.498 1 17.39 ? CA PHE B 24 1 -ATOM 358 C C . PHE B 2 24 . -15.424 -2.453 17.966 1 19.07 ? C PHE B 24 1 -ATOM 359 O O . PHE B 2 24 . -15.564 -2.201 19.21 1 20.41 ? O PHE B 24 1 -ATOM 360 C CB . PHE B 2 24 . -17.165 -3.428 16.509 1 17.43 ? CB PHE B 24 1 -ATOM 361 C CG . PHE B 2 24 . -18.385 -2.869 17.258 1 16.53 ? CG PHE B 24 1 -ATOM 362 C CD1 . PHE B 2 24 . -19.335 -3.638 17.829 1 18.44 ? CD1 PHE B 24 1 -ATOM 363 C CD2 . PHE B 2 24 . -18.435 -1.499 17.396 1 18.33 ? CD2 PHE B 24 1 -ATOM 364 C CE1 . PHE B 2 24 . -20.388 -3.065 18.536 1 18.24 ? CE1 PHE B 24 1 -ATOM 365 C CE2 . PHE B 2 24 . -19.511 -0.874 18.1 1 20.98 ? CE2 PHE B 24 1 -ATOM 366 C CZ . PHE B 2 24 . -20.462 -1.708 18.616 1 17.79 ? CZ PHE B 24 1 -ATOM 367 N N . PHE B 2 25 . -14.837 -1.634 17.181 1 20.52 ? N PHE B 25 1 -ATOM 368 C CA . PHE B 2 25 . -14.532 -0.244 17.515 1 20.41 ? CA PHE B 25 1 -ATOM 369 C C . PHE B 2 25 . -15.312 0.709 16.721 1 20.55 ? C PHE B 25 1 -ATOM 370 O O . PHE B 2 25 . -15.429 0.518 15.45 1 22.1 ? O PHE B 25 1 -ATOM 371 C CB . PHE B 2 25 . -13.044 0.039 17.441 1 26.15 ? CB PHE B 25 1 -ATOM 372 C CG . PHE B 2 25 . -12.406 -0.37 16.274 1 30.96 ? CG PHE B 25 1 -ATOM 373 C CD1 . PHE B 2 25 . -12.01 -1.743 16.119 1 36.66 ? CD1 PHE B 25 1 -ATOM 374 C CD2 . PHE B 2 25 . -12.071 0.576 15.294 1 41.71 ? CD2 PHE B 25 1 -ATOM 375 C CE1 . PHE B 2 25 . -11.319 -2.162 14.963 1 40.11 ? CE1 PHE B 25 1 -ATOM 376 C CE2 . PHE B 2 25 . -11.364 0.141 14.127 1 42.79 ? CE2 PHE B 25 1 -ATOM 377 C CZ . PHE B 2 25 . -11.017 -1.199 13.959 1 39.28 ? CZ PHE B 25 1 -ATOM 378 N N . TYR B 2 26 . -15.921 1.767 17.239 1 18.35 ? N TYR B 26 1 -ATOM 379 C CA . TYR B 2 26 . -16.729 2.747 16.649 1 18.44 ? CA TYR B 26 1 -ATOM 380 C C . TYR B 2 26 . -16.055 4.053 16.802 1 20.84 ? C TYR B 26 1 -ATOM 381 O O . TYR B 2 26 . -15.939 4.598 17.933 1 21.24 ? O TYR B 26 1 -ATOM 382 C CB . TYR B 2 26 . -18.136 2.747 17.217 1 20.09 ? CB TYR B 26 1 -ATOM 383 C CG . TYR B 2 26 . -18.993 3.881 16.773 1 20.24 ? CG TYR B 26 1 -ATOM 384 C CD1 . TYR B 2 26 . -19.281 4.09 15.415 1 20.25 ? CD1 TYR B 26 1 -ATOM 385 C CD2 . TYR B 2 26 . -19.485 4.855 17.645 1 21.56 ? CD2 TYR B 26 1 -ATOM 386 C CE1 . TYR B 2 26 . -20.003 5.154 14.988 1 22.43 ? CE1 TYR B 26 1 -ATOM 387 C CE2 . TYR B 2 26 . -20.242 5.882 17.209 1 20.54 ? CE2 TYR B 26 1 -ATOM 388 C CZ . TYR B 2 26 . -20.493 6.09 15.9 1 21.55 ? CZ TYR B 26 1 -ATOM 389 O OH . TYR B 2 26 . -21.251 7.177 15.485 1 27.84 ? OH TYR B 26 1 -ATOM 390 N N . THR B 2 27 . -15.481 4.585 15.725 1 24.69 ? N THR B 27 1 -ATOM 391 C CA A THR B 2 27 . -14.576 5.689 15.698 0.5 24.41 ? CA THR B 27 1 -ATOM 392 C CA B THR B 2 27 . -14.662 5.752 15.798 0.5 29.51 ? CA THR B 27 1 -ATOM 393 C C . THR B 2 27 . -15.095 6.699 14.695 1 30.08 ? C THR B 27 1 -ATOM 394 O O . THR B 2 27 . -14.426 6.857 13.633 1 31.93 ? O THR B 27 1 -ATOM 395 C CB A THR B 2 27 . -13.177 5.206 15.216 0.5 22.73 ? CB THR B 27 1 -ATOM 396 C CB B THR B 2 27 . -13.167 5.448 15.814 0.5 35 ? CB THR B 27 1 -ATOM 397 O OG1 A THR B 2 27 . -13.277 4.491 13.941 0.5 27 ? OG1 THR B 27 1 -ATOM 398 O OG1 B THR B 2 27 . -12.481 6.674 15.62 0.5 37.72 ? OG1 THR B 27 1 -ATOM 399 C CG2 A THR B 2 27 . -12.567 4.265 16.307 0.5 20.48 ? CG2 THR B 27 1 -ATOM 400 C CG2 B THR B 2 27 . -12.757 4.415 14.731 0.5 37.85 ? CG2 THR B 27 1 -ATOM 401 N N . PRO B 2 28 . -16.186 7.391 14.964 1 25.18 ? N PRO B 28 1 -ATOM 402 C CA . PRO B 2 28 . -16.831 8.402 14.095 1 30.57 ? CA PRO B 28 1 -ATOM 403 C C . PRO B 2 28 . -15.963 9.648 13.73 1 33.05 ? C PRO B 28 1 -ATOM 404 O O . PRO B 2 28 . -16.275 10.288 12.719 1 33.74 ? O PRO B 28 1 -ATOM 405 C CB . PRO B 2 28 . -18.113 8.779 14.816 1 27.96 ? CB PRO B 28 1 -ATOM 406 C CG . PRO B 2 28 . -17.748 8.569 16.274 1 25.66 ? CG PRO B 28 1 -ATOM 407 C CD . PRO B 2 28 . -16.894 7.339 16.28 1 25.27 ? CD PRO B 28 1 -ATOM 408 N N . LYS B 2 29 . -15.004 9.888 14.626 1 39.68 ? N LYS B 29 1 -ATOM 409 C CA A LYS B 2 29 . -14.003 10.988 14.584 0.5 49.52 ? CA LYS B 29 1 -ATOM 410 C CA B LYS B 2 29 . -13.991 10.966 14.581 0.5 50.92 ? CA LYS B 29 1 -ATOM 411 C C . LYS B 2 29 . -14.544 12.29 15.132 1 59.57 ? C LYS B 29 1 -ATOM 412 O O . LYS B 2 29 . -14.488 12.544 16.363 1 67.86 ? O LYS B 29 1 -ATOM 413 C CB A LYS B 2 29 . -13.402 11.215 13.202 0.5 53.37 ? CB LYS B 29 1 -ATOM 414 C CB B LYS B 2 29 . -13.38 11.126 13.186 0.5 55.97 ? CB LYS B 29 1 -ATOM 415 C CG A LYS B 2 29 . -11.963 10.761 13.105 0.5 53.19 ? CG LYS B 29 1 -ATOM 416 C CG B LYS B 2 29 . -12.919 9.82 12.528 0.5 58.5 ? CG LYS B 29 1 -ATOM 417 C CD A LYS B 2 29 . -11.856 9.242 13.261 0.5 53.74 ? CD LYS B 29 1 -ATOM 418 C CD B LYS B 2 29 . -11.684 9.207 13.195 0.5 61.04 ? CD LYS B 29 1 -ATOM 419 C CE A LYS B 2 29 . -11.17 8.554 12.07 0.5 49.65 ? CE LYS B 29 1 -ATOM 420 C CE B LYS B 2 29 . -11.131 8.03 12.388 0.5 57.56 ? CE LYS B 29 1 -ATOM 421 N NZ A LYS B 2 29 . -12.141 8.218 10.995 0.5 41.24 ? NZ LYS B 29 1 -ATOM 422 N NZ B LYS B 2 29 . -10.378 7.095 13.262 0.5 52.57 ? NZ LYS B 29 1 -HETATM 423 CL CL . CL C 3 . . -27.188 -12.142 12.142 0.33 78.62 ? CL CL B 1001 1 -HETATM 424 O O . HOH D 4 . . -13.085 6.952 4.844 1 48.73 ? O HOH A 2001 1 -HETATM 425 O O . HOH D 4 . . -10.765 8.176 7.675 1 52.71 ? O HOH A 2002 1 -HETATM 426 O O . HOH D 4 . . -14.679 3.681 6.976 1 50.03 ? O HOH A 2003 1 -HETATM 427 O O . HOH D 4 . . -13.701 5.263 11.317 1 35.09 ? O HOH A 2004 1 -HETATM 428 O O . HOH D 4 . . -15.893 8.497 10.5 1 37.68 ? O HOH A 2005 1 -HETATM 429 O O . HOH D 4 . . -13.429 11.674 10.013 1 68.12 ? O HOH A 2006 1 -HETATM 430 O O . HOH D 4 . . -19.389 12.492 5.403 1 62.34 ? O HOH A 2007 1 -HETATM 431 O O . HOH D 4 . . -16.005 12.322 10.646 1 65.9 ? O HOH A 2008 1 -HETATM 432 O O . HOH D 4 . . -18.342 3.399 1.226 1 27.23 ? O HOH A 2009 1 -HETATM 433 O O . HOH D 4 . . -20.196 3.582 1.064 1 26.27 ? O HOH A 2010 1 -HETATM 434 O O . HOH D 4 . . -11.01 0.184 7.936 1 50.09 ? O HOH A 2011 1 -HETATM 435 O O . HOH D 4 . . -27.618 9.52 4.99 1 38.65 ? O HOH A 2012 1 -HETATM 436 O O . HOH D 4 . . -25.236 8.312 -0.929 1 38.45 ? O HOH A 2013 1 -HETATM 437 O O . HOH D 4 . . -25.937 11.234 1.83 1 54.33 ? O HOH A 2014 1 -HETATM 438 O O . HOH D 4 . . -22.687 9.418 -1.506 1 60.8 ? O HOH A 2015 1 -HETATM 439 O O . HOH D 4 . . -10.363 0 19.665 0.5 54.03 ? O HOH A 2016 1 -HETATM 440 O O . HOH D 4 . . -19.913 9.868 -1.836 1 45.91 ? O HOH A 2017 1 -HETATM 441 O O . HOH D 4 . . -19.665 0.346 0 0.5 27.18 ? O HOH A 2018 1 -HETATM 442 O O . HOH D 4 . . -22.889 -2.269 -0.341 1 25.92 ? O HOH A 2019 1 -HETATM 443 O O . HOH D 4 . . -22.211 -6.069 1.521 1 24.96 ? O HOH A 2020 1 -HETATM 444 O O . HOH D 4 . . -19.942 -6.33 1.189 1 31.27 ? O HOH A 2021 1 -HETATM 445 O O . HOH D 4 . . -17.771 -8.644 2.078 1 45.55 ? O HOH A 2022 1 -HETATM 446 O O . HOH D 4 . . -10.225 -8.043 0.551 1 40.95 ? O HOH A 2023 1 -HETATM 447 O O . HOH D 4 . . -9.846 -4.145 3.762 1 63.04 ? O HOH A 2024 1 -HETATM 448 O O . HOH D 4 . . -13.626 -0.375 6.728 1 35.88 ? O HOH A 2025 1 -HETATM 449 O O . HOH D 4 . . -14.026 1.842 5.259 1 39.27 ? O HOH A 2026 1 -HETATM 450 O O . HOH D 4 . . -11.54 -0.387 2.575 1 55.64 ? O HOH A 2027 1 -HETATM 451 O O . HOH D 4 . . -11.605 -7.06 11.41 1 41.68 ? O HOH A 2028 1 -HETATM 452 O O . HOH D 4 . . -20.488 -10.948 10.076 1 25.82 ? O HOH A 2029 1 -HETATM 453 O O . HOH D 4 . . -11.763 -7.761 8.137 1 43.83 ? O HOH A 2030 1 -HETATM 454 O O . HOH D 4 . . -11.7 5.068 10.612 1 47.1 ? O HOH A 2031 1 -HETATM 455 O O . HOH D 4 . . -12.169 -9.413 13.145 1 45.28 ? O HOH A 2032 1 -HETATM 456 O O . HOH D 4 . . -11.247 -2.337 20.016 1 56.96 ? O HOH A 2033 1 -HETATM 457 O O . HOH E 4 . . -27.718 -7.645 5.644 1 39.31 ? O HOH B 2001 1 -HETATM 458 O O . HOH E 4 . . -29.297 -4.654 3.101 1 44.97 ? O HOH B 2002 1 -HETATM 459 O O . HOH E 4 . . -32.862 -6.468 6.468 0.33 41.57 ? O HOH B 2003 1 -HETATM 460 O O . HOH E 4 . . -33.458 5.519 7.994 1 68.94 ? O HOH B 2004 1 -HETATM 461 O O . HOH E 4 . . -30.048 2.102 -0.453 1 66.85 ? O HOH B 2005 1 -HETATM 462 O O . HOH E 4 . . -31.146 3.602 6.064 1 54.09 ? O HOH B 2006 1 -HETATM 463 O O . HOH E 4 . . -30.495 3.769 2.498 1 46.13 ? O HOH B 2007 1 -HETATM 464 O O . HOH E 4 . . -29.699 5.335 9.367 1 30.23 ? O HOH B 2008 1 -HETATM 465 O O . HOH E 4 . . -29.636 7.545 13.43 1 31.53 ? O HOH B 2009 1 -HETATM 466 O O . HOH E 4 . . -20.941 -11.383 23.701 1 52.83 ? O HOH B 2010 1 -HETATM 467 O O . HOH E 4 . . -27.121 1.395 19.417 1 41.69 ? O HOH B 2011 1 -HETATM 468 O O . HOH E 4 . . -29.55 -0.461 11.778 1 36.49 ? O HOH B 2012 1 -HETATM 469 O O . HOH E 4 . . -31.398 2.874 8.986 1 47.66 ? O HOH B 2013 1 -HETATM 470 O O . HOH E 4 . . -29.658 -1.2 19.37 1 37.73 ? O HOH B 2014 1 -HETATM 471 O O . HOH E 4 . . -20.587 -6.975 18.432 1 23.88 ? O HOH B 2015 1 -HETATM 472 O O . HOH E 4 . . -24.269 -9.54 18.186 1 37.69 ? O HOH B 2016 1 -HETATM 473 O O . HOH E 4 . . -24.659 -11.29 15.73 1 44.96 ? O HOH B 2017 1 -HETATM 474 O O . HOH E 4 . . -21.673 -12.258 13.846 1 52.39 ? O HOH B 2018 1 -HETATM 475 O O . HOH E 4 . . -21.474 -9.052 21.819 1 30.55 ? O HOH B 2019 1 -HETATM 476 O O . HOH E 4 . . -20.219 -14.037 17.117 1 40.35 ? O HOH B 2020 1 -HETATM 477 O O . HOH E 4 . . -18.22 -12.224 23.643 1 51.78 ? O HOH B 2021 1 -HETATM 478 O O . HOH E 4 . . -13.325 -10.902 10.049 1 63.85 ? O HOH B 2022 1 -HETATM 479 O O . HOH E 4 . . -15.715 2.688 13.478 1 28.09 ? O HOH B 2023 1 -HETATM 480 O O . HOH E 4 . . -13.978 8.617 16.941 1 35.3 ? O HOH B 2024 1 -# -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 9 +ATOM 1 N N GLY 1 . . A 1 -13.933 8.292 7.362 1 40.66 ? N GLY 1 A 1 +ATOM 2 C CA GLY 1 . . A 1 -13.909 6.998 8.119 1 36.77 ? CA GLY 1 A 1 +ATOM 3 C C GLY 1 . . A 1 -15.338 6.439 8.015 1 33.64 ? C GLY 1 A 1 +ATOM 4 O O GLY 1 . . A 1 -16.062 6.662 7.02 1 28.92 ? O GLY 1 A 1 +ATOM 5 N N ILE 2 . . A 1 -15.76 5.766 9.067 1 27.55 ? N ILE 2 A 1 +ATOM 6 C CA ILE 2 . . A 1 -16.959 4.952 8.96 1 25.01 ? CA ILE 2 A 1 +ATOM 7 C C ILE 2 . . A 1 -18.162 5.736 8.609 1 22.85 ? C ILE 2 A 1 +ATOM 8 O O ILE 2 . . A 1 -19.125 5.291 7.998 1 20.97 ? O ILE 2 A 1 +ATOM 9 C CB ILE 2 . . A 1 -17.15 4.06 10.176 1 25.01 ? CB ILE 2 A 1 +ATOM 10 C CG1 ILE 2 . . A 1 -18.149 2.962 9.904 1 22.85 ? CG1 ILE 2 A 1 +ATOM 11 C CG2 ILE 2 . . A 1 -17.536 4.888 11.466 1 26.22 ? CG2 ILE 2 A 1 +ATOM 12 C CD1 ILE 2 . . A 1 -18.352 2.025 11.05 1 24.5 ? CD1 ILE 2 A 1 +ATOM 13 N N VAL 3 . . A 1 -18.286 6.951 9.146 1 26.89 ? N VAL 3 A 1 +ATOM 14 C CA VAL 3 . . A 1 -19.458 7.708 8.897 1 24.16 ? CA VAL 3 A 1 +ATOM 15 C C VAL 3 . . A 1 -19.611 8.122 7.383 1 23.79 ? C VAL 3 A 1 +ATOM 16 O O VAL 3 . . A 1 -20.755 8.061 6.82 1 24.32 ? O VAL 3 A 1 +ATOM 17 C CB VAL 3 . . A 1 -19.478 8.958 9.856 1 29.35 ? CB VAL 3 A 1 +ATOM 18 C CG1 VAL 3 . . A 1 -20.577 9.875 9.409 1 31.54 ? CG1 VAL 3 A 1 +ATOM 19 C CG2 VAL 3 . . A 1 -19.76 8.524 11.289 1 29.06 ? CG2 VAL 3 A 1 +ATOM 20 N N GLU 4 . . A 1 -18.465 8.534 6.868 1 30.65 ? N GLU 4 A 1 +ATOM 21 C CA GLU 4 . . A 1 -18.405 8.853 5.381 1 33.57 ? CA GLU 4 A 1 +ATOM 22 C C GLU 4 . . A 1 -18.766 7.664 4.552 1 29.07 ? C GLU 4 A 1 +ATOM 23 O O GLU 4 . . A 1 -19.569 7.794 3.578 1 31.58 ? O GLU 4 A 1 +ATOM 24 C CB GLU 4 . . A 1 -17.059 9.45 4.998 1 36.82 ? CB GLU 4 A 1 +ATOM 25 C CG GLU 4 . . A 1 -16.89 10.791 5.758 1 44.99 ? CG GLU 4 A 1 +ATOM 26 C CD GLU 4 . . A 1 -16.675 10.684 7.316 1 41.81 ? CD GLU 4 A 1 +ATOM 27 O OE1 GLU 4 . . A 1 -15.919 9.761 7.859 1 39.47 ? OE1 GLU 4 A 1 +ATOM 28 O OE2 GLU 4 . . A 1 -17.21 11.637 7.934 1 56.85 ? OE2 GLU 4 A 1 +ATOM 29 N N GLN 5 . . A 1 -18.257 6.503 4.935 1 24.65 ? N GLN 5 A 1 +ATOM 30 C CA GLN 5 . . A 1 -18.494 5.271 4.175 1 22.55 ? CA GLN 5 A 1 +ATOM 31 C C GLN 5 . . A 1 -19.832 4.621 4.279 1 27.93 ? C GLN 5 A 1 +ATOM 32 O O GLN 5 . . A 1 -20.335 3.962 3.398 1 25.49 ? O GLN 5 A 1 +ATOM 33 C CB GLN 5 . . A 1 -17.432 4.275 4.468 1 23.08 ? CB GLN 5 A 1 +ATOM 34 C CG GLN 5 . . A 1 -15.976 4.791 4.244 1 28.37 ? CG GLN 5 A 1 +ATOM 35 C CD GLN 5 . . A 1 -15.697 5.473 2.847 1 32.3 ? CD GLN 5 A 1 +ATOM 36 O OE1 GLN 5 . . A 1 -14.987 6.513 2.76 1 37.81 ? OE1 GLN 5 A 1 +ATOM 37 N NE2 GLN 5 . . A 1 -16.403 5.019 1.822 1 24.96 ? NE2 GLN 5 A 1 +ATOM 38 N N CYS 6 . . A 1 -20.463 4.713 5.501 1 20.69 ? N CYS 6 A 1 +ATOM 39 C CA CYS 6 . . A 1 -21.625 3.952 5.766 1 19.96 ? CA CYS 6 A 1 +ATOM 40 C C CYS 6 . . A 1 -22.916 4.731 6.058 1 17.67 ? C CYS 6 A 1 +ATOM 41 O O CYS 6 . . A 1 -23.99 4.21 5.979 1 19.23 ? O CYS 6 A 1 +ATOM 42 C CB CYS 6 . . A 1 -21.379 3.031 7.018 1 19.84 ? CB CYS 6 A 1 +ATOM 43 S SG CYS 6 . . A 1 -20.414 1.598 6.484 1 22.62 ? SG CYS 6 A 1 +ATOM 44 N N CYS 7 . . A 1 -22.79 6.061 6.392 1 21.67 ? N CYS 7 A 1 +ATOM 45 C CA CYS 7 . . A 1 -23.92 6.95 6.648 1 21.46 ? CA CYS 7 A 1 +ATOM 46 C C CYS 7 . . A 1 -24.186 7.961 5.476 1 21.17 ? C CYS 7 A 1 +ATOM 47 O O CYS 7 . . A 1 -25.29 7.998 5.024 1 24.03 ? O CYS 7 A 1 +ATOM 48 C CB CYS 7 . . A 1 -23.633 7.652 7.976 1 24.29 ? CB CYS 7 A 1 +ATOM 49 S SG CYS 7 . . A 1 -24.757 9.06 8.383 1 27.67 ? SG CYS 7 A 1 +ATOM 50 N N THR 8 . . A 1 -23.103 8.71 5.146 1 24.18 ? N THR 8 A 1 +ATOM 51 C CA THR 8 . . A 1 -23.163 9.7 4.037 1 28.03 ? CA THR 8 A 1 +ATOM 52 C C THR 8 . . A 1 -23.197 8.929 2.682 1 28.99 ? C THR 8 A 1 +ATOM 53 O O THR 8 . . A 1 -23.749 9.436 1.727 1 34.94 ? O THR 8 A 1 +ATOM 54 C CB THR 8 . . A 1 -22.136 10.822 4.205 1 26.47 ? CB THR 8 A 1 +ATOM 55 O OG1 THR 8 . . A 1 -20.864 10.392 4.104 1 36.66 ? OG1 THR 8 A 1 +ATOM 56 C CG2 THR 8 . . A 1 -22.201 11.395 5.549 1 35.02 ? CG2 THR 8 A 1 +ATOM 57 N N SER 9 . . A 1 -22.619 7.731 2.622 1 26.84 ? N SER 9 A 1 +ATOM 58 C CA SER 9 A . A 1 -22.719 6.822 1.461 0.5 24.85 ? CA SER 9 A 1 +ATOM 59 C CA SER 9 B . A 1 -22.818 6.836 1.463 0.5 22.96 ? CA SER 9 A 1 +ATOM 60 C C SER 9 . . A 1 -23.25 5.455 1.902 1 23.35 ? C SER 9 A 1 +ATOM 61 O O SER 9 . . A 1 -23.388 5.214 3.128 1 22.04 ? O SER 9 A 1 +ATOM 62 C CB SER 9 A . A 1 -21.322 6.591 0.867 0.5 25.76 ? CB SER 9 A 1 +ATOM 63 C CB SER 9 B . A 1 -21.513 6.741 0.678 0.5 23.33 ? CB SER 9 A 1 +ATOM 64 O OG SER 9 A . A 1 -20.515 7.76 0.828 0.5 28.02 ? OG SER 9 A 1 +ATOM 65 O OG SER 9 B . A 1 -20.442 6.129 1.407 0.5 20.01 ? OG SER 9 A 1 +ATOM 66 N N ILE 10 . . A 1 -23.486 4.529 0.997 1 21.68 ? N ILE 10 A 1 +ATOM 67 C CA ILE 10 . . A 1 -24.095 3.252 1.302 1 21.58 ? CA ILE 10 A 1 +ATOM 68 C C ILE 10 . . A 1 -23.033 2.273 1.877 1 21.01 ? C ILE 10 A 1 +ATOM 69 O O ILE 10 . . A 1 -21.954 2.118 1.364 1 20.75 ? O ILE 10 A 1 +ATOM 70 C CB ILE 10 . . A 1 -24.779 2.622 0.049 1 22.25 ? CB ILE 10 A 1 +ATOM 71 C CG1 ILE 10 . . A 1 -25.949 3.521 -0.379 1 22.6 ? CG1 ILE 10 A 1 +ATOM 72 C CG2 ILE 10 . . A 1 -25.343 1.278 0.304 1 25.14 ? CG2 ILE 10 A 1 +ATOM 73 C CD1 ILE 10 . . A 1 -26.447 3.251 -1.765 1 31.71 ? CD1 ILE 10 A 1 +ATOM 74 N N CYS 11 . . A 1 -23.358 1.703 3.048 1 20.09 ? N CYS 11 A 1 +ATOM 75 C CA CYS 11 . . A 1 -22.538 0.741 3.658 1 19.51 ? CA CYS 11 A 1 +ATOM 76 C C CYS 11 . . A 1 -22.376 -0.584 2.952 1 21.87 ? C CYS 11 A 1 +ATOM 77 O O CYS 11 . . A 1 -23.061 -0.802 1.98 1 24.02 ? O CYS 11 A 1 +ATOM 78 C CB CYS 11 . . A 1 -23.093 0.596 5.088 1 19.48 ? CB CYS 11 A 1 +ATOM 79 S SG CYS 11 . . A 1 -21.876 0.059 6.406 1 22.91 ? SG CYS 11 A 1 +ATOM 80 N N SER 12 . . A 1 -21.426 -1.398 3.42 1 22.17 ? N SER 12 A 1 +ATOM 81 C CA SER 12 . . A 1 -21.18 -2.771 2.902 1 22.74 ? CA SER 12 A 1 +ATOM 82 C C SER 12 . . A 1 -20.757 -3.626 4.082 1 19.5 ? C SER 12 A 1 +ATOM 83 O O SER 12 . . A 1 -20.097 -3.159 5.051 1 19.44 ? O SER 12 A 1 +ATOM 84 C CB SER 12 . . A 1 -20.094 -2.784 1.859 1 21.82 ? CB SER 12 A 1 +ATOM 85 O OG SER 12 . . A 1 -18.754 -2.567 2.267 1 22.5 ? OG SER 12 A 1 +ATOM 86 N N LEU 13 . . A 1 -20.963 -4.928 3.919 1 19.45 ? N LEU 13 A 1 +ATOM 87 C CA LEU 13 . . A 1 -20.472 -5.93 4.905 1 18.36 ? CA LEU 13 A 1 +ATOM 88 C C LEU 13 . . A 1 -19.008 -5.923 5.002 1 19.42 ? C LEU 13 A 1 +ATOM 89 O O LEU 13 . . A 1 -18.357 -5.99 6.057 1 18.22 ? O LEU 13 A 1 +ATOM 90 C CB LEU 13 . . A 1 -21.012 -7.29 4.619 1 18.09 ? CB LEU 13 A 1 +ATOM 91 C CG LEU 13 . . A 1 -20.602 -8.393 5.569 1 17.53 ? CG LEU 13 A 1 +ATOM 92 C CD1 LEU 13 . . A 1 -21.077 -8.162 7.011 1 17.51 ? CD1 LEU 13 A 1 +ATOM 93 C CD2 LEU 13 . . A 1 -21.124 -9.705 5.011 1 16.76 ? CD2 LEU 13 A 1 +ATOM 94 N N TYR 14 . . A 1 -18.325 -5.8 3.832 1 19.49 ? N TYR 14 A 1 +ATOM 95 C CA TYR 14 . . A 1 -16.953 -5.742 3.741 1 20.91 ? CA TYR 14 A 1 +ATOM 96 C C TYR 14 . . A 1 -16.328 -4.676 4.657 1 20.35 ? C TYR 14 A 1 +ATOM 97 O O TYR 14 . . A 1 -15.366 -4.875 5.364 1 22.94 ? O TYR 14 A 1 +ATOM 98 C CB TYR 14 . . A 1 -16.639 -5.456 2.197 1 26.2 ? CB TYR 14 A 1 +ATOM 99 C CG TYR 14 . . A 1 -15.208 -5.456 1.977 1 25.47 ? CG TYR 14 A 1 +ATOM 100 C CD1 TYR 14 . . A 1 -14.364 -4.368 2.361 1 27.67 ? CD1 TYR 14 A 1 +ATOM 101 C CD2 TYR 14 . . A 1 -14.623 -6.596 1.509 1 28.26 ? CD2 TYR 14 A 1 +ATOM 102 C CE1 TYR 14 . . A 1 -13.004 -4.386 2.218 1 32.31 ? CE1 TYR 14 A 1 +ATOM 103 C CE2 TYR 14 . . A 1 -13.227 -6.638 1.337 1 29.33 ? CE2 TYR 14 A 1 +ATOM 104 C CZ TYR 14 . . A 1 -12.432 -5.558 1.75 1 29.08 ? CZ TYR 14 A 1 +ATOM 105 O OH TYR 14 . . A 1 -11.062 -5.599 1.565 1 38.4 ? OH TYR 14 A 1 +ATOM 106 N N GLN 15 A . A 1 -16.892 -3.469 4.544 0.5 20.48 ? N GLN 15 A 1 +ATOM 107 N N GLN 15 B . A 1 -16.975 -3.49 4.55 0.5 21.8 ? N GLN 15 A 1 +ATOM 108 C CA GLN 15 A . A 1 -16.359 -2.409 5.348 0.5 18.8 ? CA GLN 15 A 1 +ATOM 109 C CA GLN 15 B . A 1 -16.642 -2.266 5.296 0.5 22.18 ? CA GLN 15 A 1 +ATOM 110 C C GLN 15 A . A 1 -16.743 -2.585 6.822 0.5 15.73 ? C GLN 15 A 1 +ATOM 111 C C GLN 15 B . A 1 -16.912 -2.317 6.825 0.5 19.08 ? C GLN 15 A 1 +ATOM 112 O O GLN 15 A . A 1 -15.835 -2.404 7.614 0.5 17.63 ? O GLN 15 A 1 +ATOM 113 O O GLN 15 B . A 1 -16.263 -1.681 7.659 0.5 18.99 ? O GLN 15 A 1 +ATOM 114 C CB GLN 15 A . A 1 -16.787 -1.001 4.855 0.5 18.91 ? CB GLN 15 A 1 +ATOM 115 C CB GLN 15 B . A 1 -17.457 -1.089 4.706 0.5 23.62 ? CB GLN 15 A 1 +ATOM 116 C CG GLN 15 A . A 1 -16.278 -0.713 3.434 0.5 20.06 ? CG GLN 15 A 1 +ATOM 117 C CG GLN 15 B . A 1 -16.888 -0.606 3.342 0.5 28.03 ? CG GLN 15 A 1 +ATOM 118 C CD GLN 15 A . A 1 -16.613 0.692 2.972 0.5 19.71 ? CD GLN 15 A 1 +ATOM 119 C CD GLN 15 B . A 1 -15.463 -0.159 3.496 0.5 29.77 ? CD GLN 15 A 1 +ATOM 120 O OE1 GLN 15 A . A 1 -15.933 1.697 3.388 0.5 21.62 ? OE1 GLN 15 A 1 +ATOM 121 O OE1 GLN 15 B . A 1 -15.188 0.558 4.473 0.5 36.52 ? OE1 GLN 15 A 1 +ATOM 122 N NE2 GLN 15 A . A 1 -17.628 0.829 2.161 0.5 18.57 ? NE2 GLN 15 A 1 +ATOM 123 N NE2 GLN 15 B . A 1 -14.515 -0.628 2.613 0.5 33.05 ? NE2 GLN 15 A 1 +ATOM 124 N N LEU 16 . . A 1 -18.035 -2.917 7.115 1 18.3 ? N LEU 16 A 1 +ATOM 125 C CA LEU 16 . . A 1 -18.328 -3.119 8.565 1 17.28 ? CA LEU 16 A 1 +ATOM 126 C C LEU 16 . . A 1 -17.361 -4.053 9.219 1 18.25 ? C LEU 16 A 1 +ATOM 127 O O LEU 16 . . A 1 -16.94 -3.833 10.38 1 17.78 ? O LEU 16 A 1 +ATOM 128 C CB LEU 16 . . A 1 -19.749 -3.496 8.765 1 17.28 ? CB LEU 16 A 1 +ATOM 129 C CG LEU 16 . . A 1 -20.808 -2.513 8.473 1 18.7 ? CG LEU 16 A 1 +ATOM 130 C CD1 LEU 16 . . A 1 -22.148 -3.16 8.462 1 21.26 ? CD1 LEU 16 A 1 +ATOM 131 C CD2 LEU 16 . . A 1 -20.804 -1.397 9.537 1 21.79 ? CD2 LEU 16 A 1 +ATOM 132 N N GLU 17 . . A 1 -17.001 -5.199 8.579 1 16.2 ? N GLU 17 A 1 +ATOM 133 C CA GLU 17 . . A 1 -16.153 -6.129 9.169 1 16.34 ? CA GLU 17 A 1 +ATOM 134 C C GLU 17 . . A 1 -14.712 -5.637 9.485 1 16.77 ? C GLU 17 A 1 +ATOM 135 O O GLU 17 . . A 1 -14.071 -6.2 10.401 1 20.87 ? O GLU 17 A 1 +ATOM 136 C CB GLU 17 . . A 1 -16.102 -7.515 8.412 1 18.18 ? CB GLU 17 A 1 +ATOM 137 C CG GLU 17 . . A 1 -17.343 -8.285 8.549 1 17.72 ? CG GLU 17 A 1 +ATOM 138 C CD GLU 17 . . A 1 -17.246 -9.735 8.216 1 19.29 ? CD GLU 17 A 1 +ATOM 139 O OE1 GLU 17 . . A 1 -16.265 -10.191 7.587 1 19.71 ? OE1 GLU 17 A 1 +ATOM 140 O OE2 GLU 17 . . A 1 -18.138 -10.536 8.558 1 18.44 ? OE2 GLU 17 A 1 +ATOM 141 N N ASN 18 . . A 1 -14.358 -4.613 8.768 1 18.59 ? N ASN 18 A 1 +ATOM 142 C CA ASN 18 . . A 1 -13.064 -3.995 9.045 1 20.01 ? CA ASN 18 A 1 +ATOM 143 C C ASN 18 . . A 1 -13.014 -3.396 10.447 1 21.85 ? C ASN 18 A 1 +ATOM 144 O O ASN 18 . . A 1 -11.922 -3.175 10.966 1 25.24 ? O ASN 18 A 1 +ATOM 145 C CB ASN 18 . . A 1 -12.729 -2.931 8.076 1 24.35 ? CB ASN 18 A 1 +ATOM 146 C CG ASN 18 . . A 1 -12.174 -3.488 6.75 1 29.37 ? CG ASN 18 A 1 +ATOM 147 O OD1 ASN 18 . . A 1 -11.645 -4.602 6.709 1 29.64 ? OD1 ASN 18 A 1 +ATOM 148 N ND2 ASN 18 . . A 1 -12.39 -2.766 5.77 1 30.51 ? ND2 ASN 18 A 1 +ATOM 149 N N TYR 19 . . A 1 -14.176 -3.086 11.027 1 19.17 ? N TYR 19 A 1 +ATOM 150 C CA TYR 19 . . A 1 -14.242 -2.513 12.399 1 22.03 ? CA TYR 19 A 1 +ATOM 151 C C TYR 19 . . A 1 -14.505 -3.541 13.452 1 18.85 ? C TYR 19 A 1 +ATOM 152 O O TYR 19 . . A 1 -14.563 -3.17 14.677 1 22.53 ? O TYR 19 A 1 +ATOM 153 C CB TYR 19 . . A 1 -15.224 -1.355 12.414 1 16.02 ? CB TYR 19 A 1 +ATOM 154 C CG TYR 19 . . A 1 -14.925 -0.24 11.534 1 21.6 ? CG TYR 19 A 1 +ATOM 155 C CD1 TYR 19 . . A 1 -13.945 0.695 11.905 1 24.79 ? CD1 TYR 19 A 1 +ATOM 156 C CD2 TYR 19 . . A 1 -15.409 -0.23 10.24 1 24.2 ? CD2 TYR 19 A 1 +ATOM 157 C CE1 TYR 19 . . A 1 -13.613 1.666 11.022 1 28.99 ? CE1 TYR 19 A 1 +ATOM 158 C CE2 TYR 19 . . A 1 -15.011 0.756 9.339 1 25.55 ? CE2 TYR 19 A 1 +ATOM 159 C CZ TYR 19 . . A 1 -14.113 1.686 9.801 1 26.71 ? CZ TYR 19 A 1 +ATOM 160 O OH TYR 19 . . A 1 -13.679 2.736 8.993 1 37.55 ? OH TYR 19 A 1 +ATOM 161 N N CYS 20 . . A 1 -14.644 -4.866 13.218 1 18.92 ? N CYS 20 A 1 +ATOM 162 C CA CYS 20 . . A 1 -14.758 -5.871 14.196 1 19.59 ? CA CYS 20 A 1 +ATOM 163 C C CYS 20 . . A 1 -13.373 -6.11 14.819 1 24.37 ? C CYS 20 A 1 +ATOM 164 O O CYS 20 . . A 1 -12.31 -5.913 14.152 1 25.1 ? O CYS 20 A 1 +ATOM 165 C CB CYS 20 . . A 1 -15.251 -7.134 13.572 1 21.77 ? CB CYS 20 A 1 +ATOM 166 S SG CYS 20 . . A 1 -16.78 -7.148 12.791 1 19.5 ? SG CYS 20 A 1 +ATOM 167 N N ASN 21 . . A 1 -13.35 -6.435 16.109 1 25.53 ? N ASN 21 A 1 +ATOM 168 C CA ASN 21 . . A 1 -12.078 -6.782 16.762 1 29.23 ? CA ASN 21 A 1 +ATOM 169 C C ASN 21 . . A 1 -11.669 -8.192 16.221 1 33.18 ? C ASN 21 A 1 +ATOM 170 O O ASN 21 . . A 1 -12.49 -9.019 15.696 1 31.89 ? O ASN 21 A 1 +ATOM 171 C CB ASN 21 . . A 1 -12.241 -6.781 18.324 1 28.3 ? CB ASN 21 A 1 +ATOM 172 C CG ASN 21 . . A 1 -12.539 -5.443 18.881 1 25.98 ? CG ASN 21 A 1 +ATOM 173 O OD1 ASN 21 . . A 1 -12.008 -4.443 18.514 1 30.1 ? OD1 ASN 21 A 1 +ATOM 174 N ND2 ASN 21 . . A 1 -13.524 -5.434 19.797 1 26.16 ? ND2 ASN 21 A 1 +ATOM 175 O OXT ASN 21 . . A 1 -10.505 -8.485 16.513 1 41.51 ? OXT ASN 21 A 1 +ATOM 176 N N PHE 1 . . B 2 -29.772 -5.78 5.834 1 38.71 ? N PHE 1 B 1 +ATOM 177 C CA PHE 1 . . B 2 -29.805 -4.649 6.773 1 39.79 ? CA PHE 1 B 1 +ATOM 178 C C PHE 1 . . B 2 -28.498 -3.904 6.503 1 26.85 ? C PHE 1 B 1 +ATOM 179 O O PHE 1 . . B 2 -28.444 -2.691 6.896 1 37.19 ? O PHE 1 B 1 +ATOM 180 C CB PHE 1 . . B 2 -29.994 -5.044 8.323 1 43.34 ? CB PHE 1 B 1 +ATOM 181 C CG PHE 1 . . B 2 -28.966 -6.025 8.871 1 38.87 ? CG PHE 1 B 1 +ATOM 182 C CD1 PHE 1 . . B 2 -28.952 -7.354 8.504 1 46.54 ? CD1 PHE 1 B 1 +ATOM 183 C CD2 PHE 1 . . B 2 -28.008 -5.601 9.707 1 41.03 ? CD2 PHE 1 B 1 +ATOM 184 C CE1 PHE 1 . . B 2 -28 -8.247 8.968 1 42.83 ? CE1 PHE 1 B 1 +ATOM 185 C CE2 PHE 1 . . B 2 -27.058 -6.494 10.176 1 35.35 ? CE2 PHE 1 B 1 +ATOM 186 C CZ PHE 1 . . B 2 -27.051 -7.786 9.826 1 37.65 ? CZ PHE 1 B 1 +ATOM 187 N N VAL 2 . . B 2 -27.443 -4.52 5.88 1 26.07 ? N VAL 2 B 1 +ATOM 188 C CA VAL 2 . . B 2 -26.184 -3.749 5.86 1 24.37 ? CA VAL 2 B 1 +ATOM 189 C C VAL 2 . . B 2 -25.927 -2.842 4.641 1 26.34 ? C VAL 2 B 1 +ATOM 190 O O VAL 2 . . B 2 -25.167 -1.898 4.716 1 23.8 ? O VAL 2 B 1 +ATOM 191 C CB VAL 2 . . B 2 -24.92 -4.525 6.12 1 25.6 ? CB VAL 2 B 1 +ATOM 192 C CG1 VAL 2 . . B 2 -25.055 -5.372 7.435 1 25.82 ? CG1 VAL 2 B 1 +ATOM 193 C CG2 VAL 2 . . B 2 -24.596 -5.467 5.001 1 33.14 ? CG2 VAL 2 B 1 +ATOM 194 N N ASN 3 . . B 2 -26.684 -3.084 3.558 1 25.81 ? N ASN 3 B 1 +ATOM 195 C CA ASN 3 . . B 2 -26.338 -2.44 2.294 1 28.23 ? CA ASN 3 B 1 +ATOM 196 C C ASN 3 . . B 2 -27.246 -1.237 2.066 1 30.5 ? C ASN 3 B 1 +ATOM 197 O O ASN 3 . . B 2 -28.067 -1.155 1.198 1 33.05 ? O ASN 3 B 1 +ATOM 198 C CB ASN 3 . . B 2 -26.316 -3.44 1.09 1 26.28 ? CB ASN 3 B 1 +ATOM 199 C CG ASN 3 . . B 2 -25.259 -4.488 1.232 1 20.47 ? CG ASN 3 B 1 +ATOM 200 O OD1 ASN 3 . . B 2 -25.712 -5.7 1.58 1 33.2 ? OD1 ASN 3 B 1 +ATOM 201 N ND2 ASN 3 . . B 2 -24.095 -4.281 1.024 1 22.48 ? ND2 ASN 3 B 1 +ATOM 202 N N GLN 4 . . B 2 -27.135 -0.271 2.982 1 23.92 ? N GLN 4 B 1 +ATOM 203 C CA GLN 4 . . B 2 -27.941 0.932 2.997 1 23.43 ? CA GLN 4 B 1 +ATOM 204 C C GLN 4 . . B 2 -27.19 1.998 3.803 1 21.48 ? C GLN 4 B 1 +ATOM 205 O O GLN 4 . . B 2 -26.077 1.786 4.307 1 21.53 ? O GLN 4 B 1 +ATOM 206 C CB GLN 4 . . B 2 -29.307 0.683 3.574 1 30.39 ? CB GLN 4 B 1 +ATOM 207 C CG GLN 4 . . B 2 -29.202 0.204 5.027 1 32.69 ? CG GLN 4 B 1 +ATOM 208 C CD GLN 4 . . B 2 -30.545 -0.13 5.737 1 48.57 ? CD GLN 4 B 1 +ATOM 209 O OE1 GLN 4 . . B 2 -30.746 -1.235 6.299 1 49.07 ? OE1 GLN 4 B 1 +ATOM 210 N NE2 GLN 4 . . B 2 -31.422 0.842 5.796 1 45.24 ? NE2 GLN 4 B 1 +ATOM 211 N N HIS 5 . . B 2 -27.759 3.195 3.809 1 23.52 ? N HIS 5 B 1 +ATOM 212 C CA HIS 5 . . B 2 -27.222 4.304 4.663 1 21.49 ? CA HIS 5 B 1 +ATOM 213 C C HIS 5 . . B 2 -27.611 4.064 6.16 1 22.96 ? C HIS 5 B 1 +ATOM 214 O O HIS 5 . . B 2 -28.768 3.78 6.435 1 25.35 ? O HIS 5 B 1 +ATOM 215 C CB HIS 5 . . B 2 -27.91 5.614 4.298 1 24.06 ? CB HIS 5 B 1 +ATOM 216 C CG HIS 5 . . B 2 -27.66 6.097 2.874 1 25.52 ? CG HIS 5 B 1 +ATOM 217 N ND1 HIS 5 . . B 2 -26.571 6.838 2.541 1 29.29 ? ND1 HIS 5 B 1 +ATOM 218 C CD2 HIS 5 . . B 2 -28.345 5.886 1.738 1 29.95 ? CD2 HIS 5 B 1 +ATOM 219 C CE1 HIS 5 . . B 2 -26.589 7.085 1.225 1 29.36 ? CE1 HIS 5 B 1 +ATOM 220 N NE2 HIS 5 . . B 2 -27.644 6.508 0.743 1 29.26 ? NE2 HIS 5 B 1 +ATOM 221 N N LEU 6 . . B 2 -26.598 3.917 6.938 1 20.77 ? N LEU 6 B 1 +ATOM 222 C CA LEU 6 . . B 2 -26.687 3.585 8.415 1 19.53 ? CA LEU 6 B 1 +ATOM 223 C C LEU 6 . . B 2 -25.975 4.704 9.17 1 18.59 ? C LEU 6 B 1 +ATOM 224 O O LEU 6 . . B 2 -24.801 4.936 9.112 1 19.62 ? O LEU 6 B 1 +ATOM 225 C CB LEU 6 . . B 2 -26.022 2.239 8.643 1 20.76 ? CB LEU 6 B 1 +ATOM 226 C CG LEU 6 . . B 2 -26.576 1.028 7.938 1 20.81 ? CG LEU 6 B 1 +ATOM 227 C CD1 LEU 6 . . B 2 -25.623 -0.09 8.033 1 23.72 ? CD1 LEU 6 B 1 +ATOM 228 C CD2 LEU 6 . . B 2 -27.925 0.835 8.466 1 26.47 ? CD2 LEU 6 B 1 +ATOM 229 N N CYS 7 . . B 2 -26.784 5.491 9.984 1 19.64 ? N CYS 7 B 1 +ATOM 230 C CA CYS 7 . . B 2 -26.28 6.612 10.662 1 21.46 ? CA CYS 7 B 1 +ATOM 231 C C CYS 7 . . B 2 -26.494 6.556 12.219 1 16.78 ? C CYS 7 B 1 +ATOM 232 O O CYS 7 . . B 2 -27.487 5.953 12.588 1 19.55 ? O CYS 7 B 1 +ATOM 233 C CB CYS 7 . . B 2 -26.878 7.936 10.187 1 21.05 ? CB CYS 7 B 1 +ATOM 234 S SG CYS 7 . . B 2 -26.544 8.265 8.367 1 27.52 ? SG CYS 7 B 1 +HETATM 235 N N DPR 8 . . B 2 -25.569 7.08 12.916 1 15.79 ? N DPR 8 B 1 +HETATM 236 C CA DPR 8 . . B 2 -25.725 7.157 14.406 1 18.6 ? CA DPR 8 B 1 +HETATM 237 C CB DPR 8 . . B 2 -24.466 7.728 14.888 1 19.4 ? CB DPR 8 B 1 +HETATM 238 C CG DPR 8 . . B 2 -23.957 8.582 13.715 1 23.64 ? CG DPR 8 B 1 +HETATM 239 C CD DPR 8 . . B 2 -24.334 7.741 12.534 1 20.47 ? CD DPR 8 B 1 +HETATM 240 C C DPR 8 . . B 2 -26.017 5.82 15.001 1 16.31 ? C DPR 8 B 1 +HETATM 241 O O DPR 8 . . B 2 -25.287 4.825 14.786 1 16.93 ? O DPR 8 B 1 +ATOM 242 N N SER 9 . . B 2 -27.062 5.681 15.842 1 15.98 ? N SER 9 B 1 +ATOM 243 C CA SER 9 . . B 2 -27.368 4.435 16.512 1 15.26 ? CA SER 9 B 1 +ATOM 244 C C SER 9 . . B 2 -27.618 3.281 15.539 1 16.67 ? C SER 9 B 1 +ATOM 245 O O SER 9 . . B 2 -27.413 2.145 15.949 1 16.35 ? O SER 9 B 1 +ATOM 246 C CB SER 9 . . B 2 -28.499 4.623 17.505 1 16.99 ? CB SER 9 B 1 +ATOM 247 O OG SER 9 . . B 2 -29.735 4.799 16.897 1 19.66 ? OG SER 9 B 1 +ATOM 248 N N HIS 10 . . B 2 -28.103 3.621 14.353 1 17.85 ? N HIS 10 B 1 +ATOM 249 C CA HIS 10 . . B 2 -28.387 2.613 13.318 1 17.96 ? CA HIS 10 B 1 +ATOM 250 C C HIS 10 . . B 2 -27.061 1.97 12.857 1 16.48 ? C HIS 10 B 1 +ATOM 251 O O HIS 10 . . B 2 -27.069 0.735 12.58 1 18.62 ? O HIS 10 B 1 +ATOM 252 C CB HIS 10 . . B 2 -29.143 3.219 12.165 1 18.93 ? CB HIS 10 B 1 +ATOM 253 C CG HIS 10 . . B 2 -30.444 3.86 12.518 1 21.53 ? CG HIS 10 B 1 +ATOM 254 N ND1 HIS 10 . . B 2 -31.324 4.323 11.557 1 29.73 ? ND1 HIS 10 B 1 +ATOM 255 C CD2 HIS 10 . . B 2 -30.978 4.19 13.704 1 20.45 ? CD2 HIS 10 B 1 +ATOM 256 C CE1 HIS 10 . . B 2 -32.417 4.772 12.163 1 23.84 ? CE1 HIS 10 B 1 +ATOM 257 N NE2 HIS 10 . . B 2 -32.224 4.762 13.477 1 22.96 ? NE2 HIS 10 B 1 +ATOM 258 N N LEU 11 . . B 2 -26.055 2.746 12.698 1 17.14 ? N LEU 11 B 1 +ATOM 259 C CA LEU 11 . . B 2 -24.741 2.261 12.344 1 17.34 ? CA LEU 11 B 1 +ATOM 260 C C LEU 11 . . B 2 -24.157 1.427 13.465 1 16.88 ? C LEU 11 B 1 +ATOM 261 O O LEU 11 . . B 2 -23.569 0.292 13.219 1 15.79 ? O LEU 11 B 1 +ATOM 262 C CB LEU 11 . . B 2 -23.821 3.392 12.012 1 17.83 ? CB LEU 11 B 1 +ATOM 263 C CG LEU 11 . . B 2 -22.357 3.125 11.63 1 18.19 ? CG LEU 11 B 1 +ATOM 264 C CD1 LEU 11 . . B 2 -22.274 2.116 10.47 1 18.98 ? CD1 LEU 11 B 1 +ATOM 265 C CD2 LEU 11 . . B 2 -21.769 4.468 11.291 1 21.63 ? CD2 LEU 11 B 1 +ATOM 266 N N VAL 12 . . B 2 -24.244 1.89 14.747 1 15.38 ? N VAL 12 B 1 +ATOM 267 C CA VAL 12 . . B 2 -23.763 1.104 15.815 1 15.96 ? CA VAL 12 B 1 +ATOM 268 C C VAL 12 . . B 2 -24.481 -0.226 15.975 1 14.16 ? C VAL 12 B 1 +ATOM 269 O O VAL 12 . . B 2 -23.878 -1.247 16.226 1 15.53 ? O VAL 12 B 1 +ATOM 270 C CB VAL 12 . . B 2 -23.881 1.983 17.136 1 16.16 ? CB VAL 12 B 1 +ATOM 271 C CG1 VAL 12 . . B 2 -23.558 1.132 18.358 1 17.94 ? CG1 VAL 12 B 1 +ATOM 272 C CG2 VAL 12 . . B 2 -22.928 3.186 17.055 1 18.39 ? CG2 VAL 12 B 1 +ATOM 273 N N GLU 13 . . B 2 -25.798 -0.227 15.763 1 15.12 ? N GLU 13 B 1 +ATOM 274 C CA GLU 13 . . B 2 -26.566 -1.502 15.711 1 17.18 ? CA GLU 13 B 1 +ATOM 275 C C GLU 13 . . B 2 -26.022 -2.525 14.666 1 14.55 ? C GLU 13 B 1 +ATOM 276 O O GLU 13 . . B 2 -25.917 -3.716 14.973 1 16.13 ? O GLU 13 B 1 +ATOM 277 C CB GLU 13 . . B 2 -28.015 -1.161 15.493 1 18.73 ? CB GLU 13 B 1 +ATOM 278 C CG GLU 13 . . B 2 -28.883 -2.383 15.429 1 23.7 ? CG GLU 13 B 1 +ATOM 279 C CD GLU 13 . . B 2 -30.411 -2.058 15.646 1 26.63 ? CD GLU 13 B 1 +ATOM 280 O OE1 GLU 13 . . B 2 -30.807 -1.583 16.77 1 29.68 ? OE1 GLU 13 B 1 +ATOM 281 O OE2 GLU 13 . . B 2 -31.03 -2.28 14.627 1 34.61 ? OE2 GLU 13 B 1 +ATOM 282 N N ALA 14 . . B 2 -25.766 -1.986 13.477 1 16.18 ? N ALA 14 B 1 +ATOM 283 C CA ALA 14 . . B 2 -25.205 -2.91 12.459 1 15.69 ? CA ALA 14 B 1 +ATOM 284 C C ALA 14 . . B 2 -23.892 -3.417 12.762 1 16.37 ? C ALA 14 B 1 +ATOM 285 O O ALA 14 . . B 2 -23.623 -4.636 12.595 1 16.78 ? O ALA 14 B 1 +ATOM 286 C CB ALA 14 . . B 2 -25.155 -2.144 11.149 1 18.49 ? CB ALA 14 B 1 +ATOM 287 N N LEU 15 . . B 2 -22.988 -2.654 13.315 1 15.65 ? N LEU 15 B 1 +ATOM 288 C CA LEU 15 . . B 2 -21.665 -3.154 13.801 1 15.59 ? CA LEU 15 B 1 +ATOM 289 C C LEU 15 . . B 2 -21.829 -4.222 14.832 1 15.45 ? C LEU 15 B 1 +ATOM 290 O O LEU 15 . . B 2 -21.183 -5.251 14.863 1 17.37 ? O LEU 15 B 1 +ATOM 291 C CB LEU 15 . . B 2 -20.805 -2.011 14.388 1 16.66 ? CB LEU 15 B 1 +ATOM 292 C CG LEU 15 . . B 2 -20.132 -1.025 13.436 1 19.63 ? CG LEU 15 B 1 +ATOM 293 C CD1 LEU 15 . . B 2 -19.663 0.251 14.174 1 19.57 ? CD1 LEU 15 B 1 +ATOM 294 C CD2 LEU 15 . . B 2 -18.938 -1.745 12.73 1 21.2 ? CD2 LEU 15 B 1 +ATOM 295 N N TYR 16 . . B 2 -22.748 -3.972 15.83 1 16.03 ? N TYR 16 B 1 +ATOM 296 C CA TYR 16 . . B 2 -22.998 -4.944 16.851 1 16.5 ? CA TYR 16 B 1 +ATOM 297 C C TYR 16 . . B 2 -23.469 -6.291 16.29 1 15.38 ? C TYR 16 B 1 +ATOM 298 O O TYR 16 . . B 2 -22.928 -7.34 16.686 1 17.36 ? O TYR 16 B 1 +ATOM 299 C CB TYR 16 . . B 2 -24.107 -4.339 17.773 1 16.05 ? CB TYR 16 B 1 +ATOM 300 C CG TYR 16 . . B 2 -24.616 -5.373 18.823 1 16.28 ? CG TYR 16 B 1 +ATOM 301 C CD1 TYR 16 . . B 2 -23.838 -5.858 19.879 1 16.95 ? CD1 TYR 16 B 1 +ATOM 302 C CD2 TYR 16 . . B 2 -25.888 -5.816 18.753 1 15.68 ? CD2 TYR 16 B 1 +ATOM 303 C CE1 TYR 16 . . B 2 -24.32 -6.853 20.725 1 18.12 ? CE1 TYR 16 B 1 +ATOM 304 C CE2 TYR 16 . . B 2 -26.434 -6.789 19.559 1 16.51 ? CE2 TYR 16 B 1 +ATOM 305 C CZ TYR 16 . . B 2 -25.632 -7.272 20.61 1 17.28 ? CZ TYR 16 B 1 +ATOM 306 O OH TYR 16 . . B 2 -26.154 -8.206 21.475 1 17.96 ? OH TYR 16 B 1 +ATOM 307 N N LEU 17 . . B 2 -24.442 -6.196 15.352 1 14.83 ? N LEU 17 B 1 +ATOM 308 C CA LEU 17 . . B 2 -25.036 -7.445 14.763 1 16.39 ? CA LEU 17 B 1 +ATOM 309 C C LEU 17 . . B 2 -23.944 -8.197 13.877 1 18.29 ? C LEU 17 B 1 +ATOM 310 O O LEU 17 . . B 2 -23.814 -9.426 13.978 1 20.18 ? O LEU 17 B 1 +ATOM 311 C CB LEU 17 . . B 2 -26.3 -7.07 13.905 1 18.1 ? CB LEU 17 B 1 +ATOM 312 C CG LEU 17 . . B 2 -27.421 -6.682 14.811 1 19.5 ? CG LEU 17 B 1 +ATOM 313 C CD1 LEU 17 . . B 2 -28.569 -6.231 13.957 1 22.23 ? CD1 LEU 17 B 1 +ATOM 314 C CD2 LEU 17 . . B 2 -27.842 -7.847 15.695 1 22.56 ? CD2 LEU 17 B 1 +ATOM 315 N N VAL 18 . . B 2 -23.223 -7.485 13.115 1 17.09 ? N VAL 18 B 1 +ATOM 316 C CA VAL 18 . . B 2 -22.186 -8.103 12.18 1 17.7 ? CA VAL 18 B 1 +ATOM 317 C C VAL 18 . . B 2 -21.047 -8.71 12.954 1 18.58 ? C VAL 18 B 1 +ATOM 318 O O VAL 18 . . B 2 -20.543 -9.82 12.675 1 19.9 ? O VAL 18 B 1 +ATOM 319 C CB VAL 18 . . B 2 -21.67 -7.004 11.186 1 19.15 ? CB VAL 18 B 1 +ATOM 320 C CG1 VAL 18 . . B 2 -20.311 -7.41 10.531 1 19.59 ? CG1 VAL 18 B 1 +ATOM 321 C CG2 VAL 18 . . B 2 -22.741 -6.716 10.168 1 21.81 ? CG2 VAL 18 B 1 +ATOM 322 N N CYS 19 . . B 2 -20.578 -8.019 14.003 1 15.8 ? N CYS 19 B 1 +ATOM 323 C CA CYS 19 . . B 2 -19.372 -8.364 14.749 1 16.37 ? CA CYS 19 B 1 +ATOM 324 C C CYS 19 . . B 2 -19.575 -9.451 15.789 1 20.55 ? C CYS 19 B 1 +ATOM 325 O O CYS 19 . . B 2 -18.565 -10.052 16.181 1 22.95 ? O CYS 19 B 1 +ATOM 326 C CB CYS 19 . . B 2 -18.642 -7.119 15.223 1 18.72 ? CB CYS 19 B 1 +ATOM 327 S SG CYS 19 . . B 2 -18.073 -6.029 13.935 1 17.5 ? SG CYS 19 B 1 +ATOM 328 N N GLY 20 . . B 2 -20.753 -9.561 16.291 1 21.89 ? N GLY 20 B 1 +ATOM 329 C CA GLY 20 . . B 2 -21.088 -10.605 17.297 1 26.99 ? CA GLY 20 B 1 +ATOM 330 C C GLY 20 . . B 2 -20.173 -10.624 18.502 1 29.1 ? C GLY 20 B 1 +ATOM 331 O O GLY 20 . . B 2 -19.873 -9.559 19.064 1 26.63 ? O GLY 20 B 1 +ATOM 332 N N GLU 21 . . B 2 -19.595 -11.79 18.836 1 28.28 ? N GLU 21 B 1 +ATOM 333 C CA GLU 21 . . B 2 -18.902 -11.996 20.087 1 31.32 ? CA GLU 21 B 1 +ATOM 334 C C GLU 21 . . B 2 -17.536 -11.36 20.086 1 28.7 ? C GLU 21 B 1 +ATOM 335 O O GLU 21 . . B 2 -16.929 -11.218 21.123 1 35.56 ? O GLU 21 B 1 +ATOM 336 C CB GLU 21 . . B 2 -18.841 -13.52 20.387 1 34.83 ? CB GLU 21 B 1 +ATOM 337 C CG GLU 21 . . B 2 -17.607 -14.263 19.872 1 45.1 ? CG GLU 21 B 1 +ATOM 338 N N ARG 22 . . B 2 -17.042 -10.926 18.897 1 28.89 ? N ARG 22 B 1 +ATOM 339 C CA ARG 22 A . B 2 -15.753 -10.243 18.775 0.5 29.14 ? CA ARG 22 B 1 +ATOM 340 C CA ARG 22 B . B 2 -15.743 -10.225 18.736 0.5 30.45 ? CA ARG 22 B 1 +ATOM 341 C C ARG 22 . . B 2 -15.839 -8.774 19.275 1 26.52 ? C ARG 22 B 1 +ATOM 342 O O ARG 22 . . B 2 -14.845 -8.158 19.732 1 27.46 ? O ARG 22 B 1 +ATOM 343 C CB ARG 22 A . B 2 -15.316 -10.266 17.313 0.5 33.06 ? CB ARG 22 B 1 +ATOM 344 C CB ARG 22 B . B 2 -15.311 -10.1 17.25 0.5 36.51 ? CB ARG 22 B 1 +ATOM 345 C CG ARG 22 A . B 2 -15.397 -11.658 16.684 0.5 36.04 ? CG ARG 22 B 1 +ATOM 346 C CG ARG 22 B . B 2 -15.324 -11.34 16.354 0.5 42.26 ? CG ARG 22 B 1 +ATOM 347 C CD ARG 22 B . B 2 -14.171 -12.302 16.618 0.5 44.13 ? CD ARG 22 B 1 +ATOM 348 N NE ARG 22 B . B 2 -12.84 -11.76 16.384 0.5 44.7 ? NE ARG 22 B 1 +ATOM 349 C CZ ARG 22 B . B 2 -11.87 -11.807 17.283 0.5 47.19 ? CZ ARG 22 B 1 +ATOM 350 N NH1 ARG 22 B . B 2 -12.096 -12.345 18.462 0.5 52.15 ? NH1 ARG 22 B 1 +ATOM 351 N NH2 ARG 22 B . B 2 -10.676 -11.324 17.009 0.5 46.44 ? NH2 ARG 22 B 1 +ATOM 352 N N GLY 23 . . B 2 -17.021 -8.185 19.18 1 23.5 ? N GLY 23 B 1 +ATOM 353 C CA GLY 23 . . B 2 -17.144 -6.769 19.345 1 22.26 ? CA GLY 23 B 1 +ATOM 354 C C GLY 23 . . B 2 -16.486 -5.957 18.283 1 19.64 ? C GLY 23 B 1 +ATOM 355 O O GLY 23 . . B 2 -16.062 -6.507 17.2 1 19.65 ? O GLY 23 B 1 +ATOM 356 N N PHE 24 . . B 2 -16.378 -4.648 18.468 1 18.16 ? N PHE 24 B 1 +ATOM 357 C CA PHE 24 . . B 2 -15.972 -3.758 17.498 1 17.39 ? CA PHE 24 B 1 +ATOM 358 C C PHE 24 . . B 2 -15.424 -2.453 17.966 1 19.07 ? C PHE 24 B 1 +ATOM 359 O O PHE 24 . . B 2 -15.564 -2.201 19.21 1 20.41 ? O PHE 24 B 1 +ATOM 360 C CB PHE 24 . . B 2 -17.165 -3.428 16.509 1 17.43 ? CB PHE 24 B 1 +ATOM 361 C CG PHE 24 . . B 2 -18.385 -2.869 17.258 1 16.53 ? CG PHE 24 B 1 +ATOM 362 C CD1 PHE 24 . . B 2 -19.335 -3.638 17.829 1 18.44 ? CD1 PHE 24 B 1 +ATOM 363 C CD2 PHE 24 . . B 2 -18.435 -1.499 17.396 1 18.33 ? CD2 PHE 24 B 1 +ATOM 364 C CE1 PHE 24 . . B 2 -20.388 -3.065 18.536 1 18.24 ? CE1 PHE 24 B 1 +ATOM 365 C CE2 PHE 24 . . B 2 -19.511 -0.874 18.1 1 20.98 ? CE2 PHE 24 B 1 +ATOM 366 C CZ PHE 24 . . B 2 -20.462 -1.708 18.616 1 17.79 ? CZ PHE 24 B 1 +ATOM 367 N N PHE 25 . . B 2 -14.837 -1.634 17.181 1 20.52 ? N PHE 25 B 1 +ATOM 368 C CA PHE 25 . . B 2 -14.532 -0.244 17.515 1 20.41 ? CA PHE 25 B 1 +ATOM 369 C C PHE 25 . . B 2 -15.312 0.709 16.721 1 20.55 ? C PHE 25 B 1 +ATOM 370 O O PHE 25 . . B 2 -15.429 0.518 15.45 1 22.1 ? O PHE 25 B 1 +ATOM 371 C CB PHE 25 . . B 2 -13.044 0.039 17.441 1 26.15 ? CB PHE 25 B 1 +ATOM 372 C CG PHE 25 . . B 2 -12.406 -0.37 16.274 1 30.96 ? CG PHE 25 B 1 +ATOM 373 C CD1 PHE 25 . . B 2 -12.01 -1.743 16.119 1 36.66 ? CD1 PHE 25 B 1 +ATOM 374 C CD2 PHE 25 . . B 2 -12.071 0.576 15.294 1 41.71 ? CD2 PHE 25 B 1 +ATOM 375 C CE1 PHE 25 . . B 2 -11.319 -2.162 14.963 1 40.11 ? CE1 PHE 25 B 1 +ATOM 376 C CE2 PHE 25 . . B 2 -11.364 0.141 14.127 1 42.79 ? CE2 PHE 25 B 1 +ATOM 377 C CZ PHE 25 . . B 2 -11.017 -1.199 13.959 1 39.28 ? CZ PHE 25 B 1 +ATOM 378 N N TYR 26 . . B 2 -15.921 1.767 17.239 1 18.35 ? N TYR 26 B 1 +ATOM 379 C CA TYR 26 . . B 2 -16.729 2.747 16.649 1 18.44 ? CA TYR 26 B 1 +ATOM 380 C C TYR 26 . . B 2 -16.055 4.053 16.802 1 20.84 ? C TYR 26 B 1 +ATOM 381 O O TYR 26 . . B 2 -15.939 4.598 17.933 1 21.24 ? O TYR 26 B 1 +ATOM 382 C CB TYR 26 . . B 2 -18.136 2.747 17.217 1 20.09 ? CB TYR 26 B 1 +ATOM 383 C CG TYR 26 . . B 2 -18.993 3.881 16.773 1 20.24 ? CG TYR 26 B 1 +ATOM 384 C CD1 TYR 26 . . B 2 -19.281 4.09 15.415 1 20.25 ? CD1 TYR 26 B 1 +ATOM 385 C CD2 TYR 26 . . B 2 -19.485 4.855 17.645 1 21.56 ? CD2 TYR 26 B 1 +ATOM 386 C CE1 TYR 26 . . B 2 -20.003 5.154 14.988 1 22.43 ? CE1 TYR 26 B 1 +ATOM 387 C CE2 TYR 26 . . B 2 -20.242 5.882 17.209 1 20.54 ? CE2 TYR 26 B 1 +ATOM 388 C CZ TYR 26 . . B 2 -20.493 6.09 15.9 1 21.55 ? CZ TYR 26 B 1 +ATOM 389 O OH TYR 26 . . B 2 -21.251 7.177 15.485 1 27.84 ? OH TYR 26 B 1 +ATOM 390 N N THR 27 . . B 2 -15.481 4.585 15.725 1 24.69 ? N THR 27 B 1 +ATOM 391 C CA THR 27 A . B 2 -14.576 5.689 15.698 0.5 24.41 ? CA THR 27 B 1 +ATOM 392 C CA THR 27 B . B 2 -14.662 5.752 15.798 0.5 29.51 ? CA THR 27 B 1 +ATOM 393 C C THR 27 . . B 2 -15.095 6.699 14.695 1 30.08 ? C THR 27 B 1 +ATOM 394 O O THR 27 . . B 2 -14.426 6.857 13.633 1 31.93 ? O THR 27 B 1 +ATOM 395 C CB THR 27 A . B 2 -13.177 5.206 15.216 0.5 22.73 ? CB THR 27 B 1 +ATOM 396 C CB THR 27 B . B 2 -13.167 5.448 15.814 0.5 35 ? CB THR 27 B 1 +ATOM 397 O OG1 THR 27 A . B 2 -13.277 4.491 13.941 0.5 27 ? OG1 THR 27 B 1 +ATOM 398 O OG1 THR 27 B . B 2 -12.481 6.674 15.62 0.5 37.72 ? OG1 THR 27 B 1 +ATOM 399 C CG2 THR 27 A . B 2 -12.567 4.265 16.307 0.5 20.48 ? CG2 THR 27 B 1 +ATOM 400 C CG2 THR 27 B . B 2 -12.757 4.415 14.731 0.5 37.85 ? CG2 THR 27 B 1 +ATOM 401 N N PRO 28 . . B 2 -16.186 7.391 14.964 1 25.18 ? N PRO 28 B 1 +ATOM 402 C CA PRO 28 . . B 2 -16.831 8.402 14.095 1 30.57 ? CA PRO 28 B 1 +ATOM 403 C C PRO 28 . . B 2 -15.963 9.648 13.73 1 33.05 ? C PRO 28 B 1 +ATOM 404 O O PRO 28 . . B 2 -16.275 10.288 12.719 1 33.74 ? O PRO 28 B 1 +ATOM 405 C CB PRO 28 . . B 2 -18.113 8.779 14.816 1 27.96 ? CB PRO 28 B 1 +ATOM 406 C CG PRO 28 . . B 2 -17.748 8.569 16.274 1 25.66 ? CG PRO 28 B 1 +ATOM 407 C CD PRO 28 . . B 2 -16.894 7.339 16.28 1 25.27 ? CD PRO 28 B 1 +ATOM 408 N N LYS 29 . . B 2 -15.004 9.888 14.626 1 39.68 ? N LYS 29 B 1 +ATOM 409 C CA LYS 29 A . B 2 -14.003 10.988 14.584 0.5 49.52 ? CA LYS 29 B 1 +ATOM 410 C CA LYS 29 B . B 2 -13.991 10.966 14.581 0.5 50.92 ? CA LYS 29 B 1 +ATOM 411 C C LYS 29 . . B 2 -14.544 12.29 15.132 1 59.57 ? C LYS 29 B 1 +ATOM 412 O O LYS 29 . . B 2 -14.488 12.544 16.363 1 67.86 ? O LYS 29 B 1 +ATOM 413 C CB LYS 29 A . B 2 -13.402 11.215 13.202 0.5 53.37 ? CB LYS 29 B 1 +ATOM 414 C CB LYS 29 B . B 2 -13.38 11.126 13.186 0.5 55.97 ? CB LYS 29 B 1 +ATOM 415 C CG LYS 29 A . B 2 -11.963 10.761 13.105 0.5 53.19 ? CG LYS 29 B 1 +ATOM 416 C CG LYS 29 B . B 2 -12.919 9.82 12.528 0.5 58.5 ? CG LYS 29 B 1 +ATOM 417 C CD LYS 29 A . B 2 -11.856 9.242 13.261 0.5 53.74 ? CD LYS 29 B 1 +ATOM 418 C CD LYS 29 B . B 2 -11.684 9.207 13.195 0.5 61.04 ? CD LYS 29 B 1 +ATOM 419 C CE LYS 29 A . B 2 -11.17 8.554 12.07 0.5 49.65 ? CE LYS 29 B 1 +ATOM 420 C CE LYS 29 B . B 2 -11.131 8.03 12.388 0.5 57.56 ? CE LYS 29 B 1 +ATOM 421 N NZ LYS 29 A . B 2 -12.141 8.218 10.995 0.5 41.24 ? NZ LYS 29 B 1 +ATOM 422 N NZ LYS 29 B . B 2 -10.378 7.095 13.262 0.5 52.57 ? NZ LYS 29 B 1 +HETATM 423 CL CL CL . . . C 3 -27.188 -12.142 12.142 0.33 78.62 ? CL CL 1001 B 1 +HETATM 424 O O HOH . . . D 4 -13.085 6.952 4.844 1 48.73 ? O HOH 2001 A 1 +HETATM 425 O O HOH . . . D 4 -10.765 8.176 7.675 1 52.71 ? O HOH 2002 A 1 +HETATM 426 O O HOH . . . D 4 -14.679 3.681 6.976 1 50.03 ? O HOH 2003 A 1 +HETATM 427 O O HOH . . . D 4 -13.701 5.263 11.317 1 35.09 ? O HOH 2004 A 1 +HETATM 428 O O HOH . . . D 4 -15.893 8.497 10.5 1 37.68 ? O HOH 2005 A 1 +HETATM 429 O O HOH . . . D 4 -13.429 11.674 10.013 1 68.12 ? O HOH 2006 A 1 +HETATM 430 O O HOH . . . D 4 -19.389 12.492 5.403 1 62.34 ? O HOH 2007 A 1 +HETATM 431 O O HOH . . . D 4 -16.005 12.322 10.646 1 65.9 ? O HOH 2008 A 1 +HETATM 432 O O HOH . . . D 4 -18.342 3.399 1.226 1 27.23 ? O HOH 2009 A 1 +HETATM 433 O O HOH . . . D 4 -20.196 3.582 1.064 1 26.27 ? O HOH 2010 A 1 +HETATM 434 O O HOH . . . D 4 -11.01 0.184 7.936 1 50.09 ? O HOH 2011 A 1 +HETATM 435 O O HOH . . . D 4 -27.618 9.52 4.99 1 38.65 ? O HOH 2012 A 1 +HETATM 436 O O HOH . . . D 4 -25.236 8.312 -0.929 1 38.45 ? O HOH 2013 A 1 +HETATM 437 O O HOH . . . D 4 -25.937 11.234 1.83 1 54.33 ? O HOH 2014 A 1 +HETATM 438 O O HOH . . . D 4 -22.687 9.418 -1.506 1 60.8 ? O HOH 2015 A 1 +HETATM 439 O O HOH . . . D 4 -10.363 0 19.665 0.5 54.03 ? O HOH 2016 A 1 +HETATM 440 O O HOH . . . D 4 -19.913 9.868 -1.836 1 45.91 ? O HOH 2017 A 1 +HETATM 441 O O HOH . . . D 4 -19.665 0.346 0 0.5 27.18 ? O HOH 2018 A 1 +HETATM 442 O O HOH . . . D 4 -22.889 -2.269 -0.341 1 25.92 ? O HOH 2019 A 1 +HETATM 443 O O HOH . . . D 4 -22.211 -6.069 1.521 1 24.96 ? O HOH 2020 A 1 +HETATM 444 O O HOH . . . D 4 -19.942 -6.33 1.189 1 31.27 ? O HOH 2021 A 1 +HETATM 445 O O HOH . . . D 4 -17.771 -8.644 2.078 1 45.55 ? O HOH 2022 A 1 +HETATM 446 O O HOH . . . D 4 -10.225 -8.043 0.551 1 40.95 ? O HOH 2023 A 1 +HETATM 447 O O HOH . . . D 4 -9.846 -4.145 3.762 1 63.04 ? O HOH 2024 A 1 +HETATM 448 O O HOH . . . D 4 -13.626 -0.375 6.728 1 35.88 ? O HOH 2025 A 1 +HETATM 449 O O HOH . . . D 4 -14.026 1.842 5.259 1 39.27 ? O HOH 2026 A 1 +HETATM 450 O O HOH . . . D 4 -11.54 -0.387 2.575 1 55.64 ? O HOH 2027 A 1 +HETATM 451 O O HOH . . . D 4 -11.605 -7.06 11.41 1 41.68 ? O HOH 2028 A 1 +HETATM 452 O O HOH . . . D 4 -20.488 -10.948 10.076 1 25.82 ? O HOH 2029 A 1 +HETATM 453 O O HOH . . . D 4 -11.763 -7.761 8.137 1 43.83 ? O HOH 2030 A 1 +HETATM 454 O O HOH . . . D 4 -11.7 5.068 10.612 1 47.1 ? O HOH 2031 A 1 +HETATM 455 O O HOH . . . D 4 -12.169 -9.413 13.145 1 45.28 ? O HOH 2032 A 1 +HETATM 456 O O HOH . . . D 4 -11.247 -2.337 20.016 1 56.96 ? O HOH 2033 A 1 +HETATM 457 O O HOH . . . E 4 -27.718 -7.645 5.644 1 39.31 ? O HOH 2001 B 1 +HETATM 458 O O HOH . . . E 4 -29.297 -4.654 3.101 1 44.97 ? O HOH 2002 B 1 +HETATM 459 O O HOH . . . E 4 -32.862 -6.468 6.468 0.33 41.57 ? O HOH 2003 B 1 +HETATM 460 O O HOH . . . E 4 -33.458 5.519 7.994 1 68.94 ? O HOH 2004 B 1 +HETATM 461 O O HOH . . . E 4 -30.048 2.102 -0.453 1 66.85 ? O HOH 2005 B 1 +HETATM 462 O O HOH . . . E 4 -31.146 3.602 6.064 1 54.09 ? O HOH 2006 B 1 +HETATM 463 O O HOH . . . E 4 -30.495 3.769 2.498 1 46.13 ? O HOH 2007 B 1 +HETATM 464 O O HOH . . . E 4 -29.699 5.335 9.367 1 30.23 ? O HOH 2008 B 1 +HETATM 465 O O HOH . . . E 4 -29.636 7.545 13.43 1 31.53 ? O HOH 2009 B 1 +HETATM 466 O O HOH . . . E 4 -20.941 -11.383 23.701 1 52.83 ? O HOH 2010 B 1 +HETATM 467 O O HOH . . . E 4 -27.121 1.395 19.417 1 41.69 ? O HOH 2011 B 1 +HETATM 468 O O HOH . . . E 4 -29.55 -0.461 11.778 1 36.49 ? O HOH 2012 B 1 +HETATM 469 O O HOH . . . E 4 -31.398 2.874 8.986 1 47.66 ? O HOH 2013 B 1 +HETATM 470 O O HOH . . . E 4 -29.658 -1.2 19.37 1 37.73 ? O HOH 2014 B 1 +HETATM 471 O O HOH . . . E 4 -20.587 -6.975 18.432 1 23.88 ? O HOH 2015 B 1 +HETATM 472 O O HOH . . . E 4 -24.269 -9.54 18.186 1 37.69 ? O HOH 2016 B 1 +HETATM 473 O O HOH . . . E 4 -24.659 -11.29 15.73 1 44.96 ? O HOH 2017 B 1 +HETATM 474 O O HOH . . . E 4 -21.673 -12.258 13.846 1 52.39 ? O HOH 2018 B 1 +HETATM 475 O O HOH . . . E 4 -21.474 -9.052 21.819 1 30.55 ? O HOH 2019 B 1 +HETATM 476 O O HOH . . . E 4 -20.219 -14.037 17.117 1 40.35 ? O HOH 2020 B 1 +HETATM 477 O O HOH . . . E 4 -18.22 -12.224 23.643 1 51.78 ? O HOH 2021 B 1 +HETATM 478 O O HOH . . . E 4 -13.325 -10.902 10.049 1 63.85 ? O HOH 2022 B 1 +HETATM 479 O O HOH . . . E 4 -15.715 2.688 13.478 1 28.09 ? O HOH 2023 B 1 +HETATM 480 O O HOH . . . E 4 -13.978 8.617 16.941 1 35.3 ? O HOH 2024 B 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ILE 2 2 2 ILE ILE A . n +A 1 3 VAL 3 3 3 VAL VAL A . n +A 1 4 GLU 4 4 4 GLU GLU A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 CYS 6 6 6 CYS CYS A . n +A 1 7 CYS 7 7 7 CYS CYS A . n +A 1 8 THR 8 8 8 THR THR A . n +A 1 9 SER 9 9 9 SER SER A . n +A 1 10 ILE 10 10 10 ILE ILE A . n +A 1 11 CYS 11 11 11 CYS CYS A . n +A 1 12 SER 12 12 12 SER SER A . n +A 1 13 LEU 13 13 13 LEU LEU A . n +A 1 14 TYR 14 14 14 TYR TYR A . n +A 1 15 GLN 15 15 15 GLN GLN A . n +A 1 16 LEU 16 16 16 LEU LEU A . n +A 1 17 GLU 17 17 17 GLU GLU A . n +A 1 18 ASN 18 18 18 ASN ASN A . n +A 1 19 TYR 19 19 19 TYR TYR A . n +A 1 20 CYS 20 20 20 CYS CYS A . n +A 1 21 ASN 21 21 21 ASN ASN A . n +B 2 1 PHE 1 1 1 PHE PHE B . n +B 2 2 VAL 2 2 2 VAL VAL B . n +B 2 3 ASN 3 3 3 ASN ASN B . n +B 2 4 GLN 4 4 4 GLN GLN B . n +B 2 5 HIS 5 5 5 HIS HIS B . n +B 2 6 LEU 6 6 6 LEU LEU B . n +B 2 7 CYS 7 7 7 CYS CYS B . n +B 2 8 DPR 8 8 8 DPR DPR B . n +B 2 9 SER 9 9 9 SER SER B . n +B 2 10 HIS 10 10 10 HIS HIS B . n +B 2 11 LEU 11 11 11 LEU LEU B . n +B 2 12 VAL 12 12 12 VAL VAL B . n +B 2 13 GLU 13 13 13 GLU GLU B . n +B 2 14 ALA 14 14 14 ALA ALA B . n +B 2 15 LEU 15 15 15 LEU LEU B . n +B 2 16 TYR 16 16 16 TYR TYR B . n +B 2 17 LEU 17 17 17 LEU LEU B . n +B 2 18 VAL 18 18 18 VAL VAL B . n +B 2 19 CYS 19 19 19 CYS CYS B . n +B 2 20 GLY 20 20 20 GLY GLY B . n +B 2 21 GLU 21 21 21 GLU GLU B . n +B 2 22 ARG 22 22 22 ARG ARG B . n +B 2 23 GLY 23 23 23 GLY GLY B . n +B 2 24 PHE 24 24 24 PHE PHE B . n +B 2 25 PHE 25 25 25 PHE PHE B . n +B 2 26 TYR 26 26 26 TYR TYR B . n +B 2 27 THR 27 27 27 THR THR B . n +B 2 28 PRO 28 28 28 PRO PRO B . n +B 2 29 LYS 29 29 29 LYS LYS B . n +B 2 30 THR 30 30 . . . B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 3 CL B 1 1001 1001 CL CL . +D 4 HOH A 1 2001 2001 HOH HOH . +D 4 HOH A 2 2002 2002 HOH HOH . +D 4 HOH A 3 2003 2003 HOH HOH . +D 4 HOH A 4 2004 2004 HOH HOH . +D 4 HOH A 5 2005 2005 HOH HOH . +D 4 HOH A 6 2006 2006 HOH HOH . +D 4 HOH A 7 2007 2007 HOH HOH . +D 4 HOH A 8 2008 2008 HOH HOH . +D 4 HOH A 9 2009 2009 HOH HOH . +D 4 HOH A 10 2010 2010 HOH HOH . +D 4 HOH A 11 2011 2011 HOH HOH . +D 4 HOH A 12 2012 2012 HOH HOH . +D 4 HOH A 13 2013 2013 HOH HOH . +D 4 HOH A 14 2014 2014 HOH HOH . +D 4 HOH A 15 2015 2015 HOH HOH . +D 4 HOH A 16 2016 2016 HOH HOH . +D 4 HOH A 17 2017 2017 HOH HOH . +D 4 HOH A 18 2018 2018 HOH HOH . +D 4 HOH A 19 2019 2019 HOH HOH . +D 4 HOH A 20 2020 2020 HOH HOH . +D 4 HOH A 21 2021 2021 HOH HOH . +D 4 HOH A 22 2022 2022 HOH HOH . +D 4 HOH A 23 2023 2023 HOH HOH . +D 4 HOH A 24 2024 2024 HOH HOH . +D 4 HOH A 25 2025 2025 HOH HOH . +D 4 HOH A 26 2026 2026 HOH HOH . +D 4 HOH A 27 2027 2027 HOH HOH . +D 4 HOH A 28 2028 2028 HOH HOH . +D 4 HOH A 29 2029 2029 HOH HOH . +D 4 HOH A 30 2030 2030 HOH HOH . +D 4 HOH A 31 2031 2031 HOH HOH . +D 4 HOH A 32 2032 2032 HOH HOH . +D 4 HOH A 33 2033 2033 HOH HOH . +E 4 HOH B 1 2001 2001 HOH HOH . +E 4 HOH B 2 2002 2002 HOH HOH . +E 4 HOH B 3 2003 2003 HOH HOH . +E 4 HOH B 4 2004 2004 HOH HOH . +E 4 HOH B 5 2005 2005 HOH HOH . +E 4 HOH B 6 2006 2006 HOH HOH . +E 4 HOH B 7 2007 2007 HOH HOH . +E 4 HOH B 8 2008 2008 HOH HOH . +E 4 HOH B 9 2009 2009 HOH HOH . +E 4 HOH B 10 2010 2010 HOH HOH . +E 4 HOH B 11 2011 2011 HOH HOH . +E 4 HOH B 12 2012 2012 HOH HOH . +E 4 HOH B 13 2013 2013 HOH HOH . +E 4 HOH B 14 2014 2014 HOH HOH . +E 4 HOH B 15 2015 2015 HOH HOH . +E 4 HOH B 16 2016 2016 HOH HOH . +E 4 HOH B 17 2017 2017 HOH HOH . +E 4 HOH B 18 2018 2018 HOH HOH . +E 4 HOH B 19 2019 2019 HOH HOH . +E 4 HOH B 20 2020 2020 HOH HOH . +E 4 HOH B 21 2021 2021 HOH HOH . +E 4 HOH B 22 2022 2022 HOH HOH . +E 4 HOH B 23 2023 2023 HOH HOH . +E 4 HOH B 24 2024 2024 HOH HOH . +# +loop_ +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +_pdbx_struct_assembly.details +_pdbx_struct_assembly.id +PQS tetrameric 4 author_and_software_defined_assembly 1 +PISA hexameric 6 software_defined_assembly 2 +# +loop_ +_pdbx_struct_assembly_gen.asym_id_list +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +A,B,C,D,E 1 1,2 +A,B,C,D,E 2 1,3,4 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 4920 . +1 MORE -43.400000000000006 . +1 'SSA (A^2)' 6960 . +2 'ABSA (A^2)' 6170 . +2 MORE -61.6 . +2 'SSA (A^2)' 8610 . +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1 0 0 0 1 0 0 0 1 0 0 0 +2 'crystal symmetry operation' 16_555 x,-y,-z+1/2 1 0 0 0 -1 0 0 0 -1 0 0 39.33 +3 'crystal symmetry operation' 12_455 -y-1/2,-z,x+1/2 0 -1 0 0 0 -1 1 0 0 -39.33 0 39.33 +4 'crystal symmetry operation' 6_445 z-1/2,-x-1/2,-y 0 0 1 -1 0 0 0 -1 0 -39.33 -39.33 0 +# +loop_ +_pdbx_struct_special_symmetry.id +_pdbx_struct_special_symmetry.PDB_model_num +_pdbx_struct_special_symmetry.auth_asym_id +_pdbx_struct_special_symmetry.auth_comp_id +_pdbx_struct_special_symmetry.auth_seq_id +_pdbx_struct_special_symmetry.PDB_ins_code +_pdbx_struct_special_symmetry.label_asym_id +_pdbx_struct_special_symmetry.label_comp_id +_pdbx_struct_special_symmetry.label_seq_id +1 1 B CL 1001 . C CL . +2 1 A HOH 2016 . D HOH . +3 1 A HOH 2018 . D HOH . +4 1 B HOH 2003 . E HOH . +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2014-05-28 +2 'Structure model' 1 1 2014-06-18 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +_pdbx_audit_revision_group.ordinal 1 +_pdbx_audit_revision_group.revision_ordinal 2 +_pdbx_audit_revision_group.data_content_type 'Structure model' +_pdbx_audit_revision_group.group 'Database references' +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +refinement . . REFMAC . 5.8.0049 1 +'data reduction' . . XDS . . 2 +'data scaling' . . SCALA . . 3 +phasing . . MOLREP . . 4 +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 O A HOH 2009 . . O A HOH 2010 . . 1.87 +2 1 OE1 A GLN 15 . B O A HOH 2026 . . 1.9000000000000001 +3 1 O A HOH 2004 . . O A HOH 2031 . . 2.13 +# +_pdbx_validate_rmsd_bond.id 1 +_pdbx_validate_rmsd_bond.PDB_model_num 1 +_pdbx_validate_rmsd_bond.auth_atom_id_1 CB +_pdbx_validate_rmsd_bond.auth_asym_id_1 B +_pdbx_validate_rmsd_bond.auth_comp_id_1 PHE +_pdbx_validate_rmsd_bond.auth_seq_id_1 25 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 . +_pdbx_validate_rmsd_bond.label_alt_id_1 . +_pdbx_validate_rmsd_bond.auth_atom_id_2 CG +_pdbx_validate_rmsd_bond.auth_asym_id_2 B +_pdbx_validate_rmsd_bond.auth_comp_id_2 PHE +_pdbx_validate_rmsd_bond.auth_seq_id_2 25 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 . +_pdbx_validate_rmsd_bond.label_alt_id_2 . +_pdbx_validate_rmsd_bond.bond_value 1.391 +_pdbx_validate_rmsd_bond.bond_target_value 1.5090000000000001 +_pdbx_validate_rmsd_bond.bond_deviation -0.11800000000000001 +_pdbx_validate_rmsd_bond.bond_standard_deviation 0.017 +_pdbx_validate_rmsd_bond.linker_flag N +# +_pdbx_validate_rmsd_angle.id 1 +_pdbx_validate_rmsd_angle.PDB_model_num 1 +_pdbx_validate_rmsd_angle.auth_atom_id_1 CB +_pdbx_validate_rmsd_angle.auth_asym_id_1 B +_pdbx_validate_rmsd_angle.auth_comp_id_1 PHE +_pdbx_validate_rmsd_angle.auth_seq_id_1 24 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 . +_pdbx_validate_rmsd_angle.label_alt_id_1 . +_pdbx_validate_rmsd_angle.auth_atom_id_2 CG +_pdbx_validate_rmsd_angle.auth_asym_id_2 B +_pdbx_validate_rmsd_angle.auth_comp_id_2 PHE +_pdbx_validate_rmsd_angle.auth_seq_id_2 24 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 . +_pdbx_validate_rmsd_angle.label_alt_id_2 . +_pdbx_validate_rmsd_angle.auth_atom_id_3 CD2 +_pdbx_validate_rmsd_angle.auth_asym_id_3 B +_pdbx_validate_rmsd_angle.auth_comp_id_3 PHE +_pdbx_validate_rmsd_angle.auth_seq_id_3 24 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 . +_pdbx_validate_rmsd_angle.label_alt_id_3 . +_pdbx_validate_rmsd_angle.angle_value 116.06 +_pdbx_validate_rmsd_angle.angle_target_value 120.80000000000001 +_pdbx_validate_rmsd_angle.angle_deviation -4.74 +_pdbx_validate_rmsd_angle.angle_standard_deviation 0.7000000000000001 +_pdbx_validate_rmsd_angle.linker_flag N +# +_pdbx_validate_torsion.id 1 +_pdbx_validate_torsion.PDB_model_num 1 +_pdbx_validate_torsion.auth_comp_id ASN +_pdbx_validate_torsion.auth_asym_id B +_pdbx_validate_torsion.auth_seq_id 3 +_pdbx_validate_torsion.PDB_ins_code . +_pdbx_validate_torsion.label_alt_id . +_pdbx_validate_torsion.phi -100.56 +_pdbx_validate_torsion.psi 62.43 +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 B GLU 21 . CD . B GLU 21 CD +2 1 Y 1 B GLU 21 . OE1 . B GLU 21 OE1 +3 1 Y 1 B GLU 21 . OE2 . B GLU 21 OE2 +# +_pdbx_unobs_or_zero_occ_residues.id 1 +_pdbx_unobs_or_zero_occ_residues.polymer_flag y +_pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 +_pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 +_pdbx_unobs_or_zero_occ_residues.auth_asym_id B +_pdbx_unobs_or_zero_occ_residues.auth_comp_id THR +_pdbx_unobs_or_zero_occ_residues.auth_seq_id 30 +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? +_pdbx_unobs_or_zero_occ_residues.label_asym_id B +_pdbx_unobs_or_zero_occ_residues.label_comp_id THR +_pdbx_unobs_or_zero_occ_residues.label_seq_id 30 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.name +3 CL 'CHLORIDE ION' +4 HOH water +# +_model_server_stats.io_time_ms 6 +_model_server_stats.parse_time_ms 59 +_model_server_stats.create_model_time_ms 3 +_model_server_stats.query_time_ms 221 +_model_server_stats.encode_time_ms 36 +_model_server_stats.element_count 480 # diff --git a/src/test/resources/cif/4cxl.cif.gz b/src/test/resources/cif/4cxl.cif.gz index d33821d16..198e38f6d 100644 Binary files a/src/test/resources/cif/4cxl.cif.gz and b/src/test/resources/cif/4cxl.cif.gz differ diff --git a/src/test/resources/cif/5zmz.cif b/src/test/resources/cif/5zmz.cif index 253cde3ef..1be0f7b8d 100644 --- a/src/test/resources/cif/5zmz.cif +++ b/src/test/resources/cif/5zmz.cif @@ -1,207 +1,558 @@ data_5ZMZ # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:40:02' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id TlkTzl7DQ7jsupbJYPGeTw +_model_server_result.datetime_utc '2022-06-14 23:44:35' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 5zmz # _entry.id 5ZMZ # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.303 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer man 'Amyloid core of RIP1' ? ? . ? ? ? -2 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 5ZMZ +wwpdb D_1300007378 # -_exptl.entry_id 5ZMZ -_exptl.method 'X-ray diffraction' +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 5ZMZ +_pdbx_database_status.recvd_initial_deposition_date 2018-04-06 +_pdbx_database_status.SG_entry n +_pdbx_database_status.deposit_site PDBJ +_pdbx_database_status.process_site PDBJ +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details monomeric -_pdbx_struct_assembly.oligomeric_count 1 +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Li, J.X.' 1 ? +'Zheng, J.' 2 ? # -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B +_citation.book_publisher ? +_citation.country ? +_citation.id primary +_citation.journal_abbrev 'To Be Published' +_citation.journal_id_ASTM ? +_citation.journal_id_CSD 353 +_citation.journal_id_ISSN ? +_citation.journal_volume ? +_citation.page_first ? +_citation.page_last ? +_citation.title 'Amyloid core of RIP1' +_citation.year ? +_citation.pdbx_database_id_DOI ? +_citation.pdbx_database_id_PubMed ? # -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1 -_pdbx_struct_oper_list.matrix[1][2] 0 -_pdbx_struct_oper_list.matrix[1][3] 0 -_pdbx_struct_oper_list.vector[1] 0 -_pdbx_struct_oper_list.matrix[2][1] 0 -_pdbx_struct_oper_list.matrix[2][2] 1 -_pdbx_struct_oper_list.matrix[2][3] 0 -_pdbx_struct_oper_list.vector[2] 0 -_pdbx_struct_oper_list.matrix[3][1] 0 -_pdbx_struct_oper_list.matrix[3][2] 0 -_pdbx_struct_oper_list.matrix[3][3] 1 -_pdbx_struct_oper_list.vector[3] 0 +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Li, J.X.' 1 +primary 'Zheng, J.' 2 # +_cell.angle_alpha 90 +_cell.angle_beta 107.97 +_cell.angle_gamma 90 _cell.entry_id 5ZMZ _cell.length_a 29.44 _cell.length_b 4.8 _cell.length_c 18.94 -_cell.angle_alpha 90 -_cell.angle_beta 107.97 -_cell.angle_gamma 90 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 5ZMZ -_symmetry.space_group_name_H-M 'C 1 2 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 5 -_symmetry.space_group_name_Hall ? +_symmetry.entry_id 5ZMZ +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 5 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'C 1 2 1' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 429.511 1 man polymer 'Amyloid core of RIP1' 1 ? ? ? +? 18.015 2 nat water water 1 ? ? ? # _entity_poly.entity_id 1 -_entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no +_entity_poly.type polypeptide(L) +_entity_poly.pdbx_strand_id A _entity_poly.pdbx_seq_one_letter_code IQIG _entity_poly.pdbx_seq_one_letter_code_can IQIG -_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 ILE n -1 2 GLN n -1 3 ILE n -1 4 GLY n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ILE 1 +1 n GLN 2 +1 n ILE 3 +1 n GLY 4 +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num 1 +_entity_src_gen.pdbx_end_seq_num 4 +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code RIPK1_HUMAN +_struct_ref.pdbx_db_accession Q13546 +_struct_ref.pdbx_db_isoform . +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code IQIG +_struct_ref.pdbx_align_begin 539 +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 5ZMZ +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code . +_struct_ref_seq.seq_align_end 4 +_struct_ref_seq.pdbx_seq_align_end_ins_code . +_struct_ref_seq.pdbx_db_accession Q13546 +_struct_ref_seq.db_align_beg 539 +_struct_ref_seq.pdbx_db_align_beg_ins_code . +_struct_ref_seq.db_align_end 542 +_struct_ref_seq.pdbx_db_align_end_ins_code . +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 4 # loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +# +_exptl.entry_id 5ZMZ +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.colour . +_exptl_crystal.density_diffrn . +_exptl_crystal.density_Matthews 1.48 +_exptl_crystal.density_method . +_exptl_crystal.density_percent_sol 17 +_exptl_crystal.description . +_exptl_crystal.F_000 . +_exptl_crystal.id 1 +_exptl_crystal.preparation . +_exptl_crystal.size_max . +_exptl_crystal.size_mid . +_exptl_crystal.size_min . +_exptl_crystal.size_rad . +_exptl_crystal.colour_lustre . +_exptl_crystal.colour_modifier . +_exptl_crystal.colour_primary . +_exptl_crystal.density_meas . +_exptl_crystal.density_meas_esd . +_exptl_crystal.density_meas_gt . +_exptl_crystal.density_meas_lt . +_exptl_crystal.density_meas_temp . +_exptl_crystal.density_meas_temp_esd . +_exptl_crystal.density_meas_temp_gt . +_exptl_crystal.density_meas_temp_lt . +_exptl_crystal.pdbx_crystal_image_url . +_exptl_crystal.pdbx_crystal_image_format . +_exptl_crystal.pdbx_mosaicity . +_exptl_crystal.pdbx_mosaicity_esd . +# +_exptl_crystal_grow.apparatus . +_exptl_crystal_grow.atmosphere . +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details . +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.method_ref . +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.pressure . +_exptl_crystal_grow.pressure_esd . +_exptl_crystal_grow.seeding . +_exptl_crystal_grow.seeding_ref . +_exptl_crystal_grow.temp 293 +_exptl_crystal_grow.temp_details . +_exptl_crystal_grow.temp_esd . +_exptl_crystal_grow.time . +_exptl_crystal_grow.pdbx_details '0.2M magnesium chloride, 0.1M Sodium HEPES, pH 7.0, 25% (v/v) PEG 200' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.ambient_environment . +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details . +_diffrn.ambient_temp_esd . +_diffrn.crystal_id 1 +_diffrn.crystal_support . +_diffrn.crystal_treatment . +_diffrn.details . +_diffrn.id 1 +_diffrn.ambient_pressure . +_diffrn.ambient_pressure_esd . +_diffrn.ambient_pressure_gt . +_diffrn.ambient_pressure_lt . +_diffrn.ambient_temp_gt . +_diffrn.ambient_temp_lt . +# +_diffrn_detector.details . +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS PILATUS3 S 6M' +_diffrn_detector.area_resol_mean . +_diffrn_detector.dtime . +_diffrn_detector.pdbx_frames_total . +_diffrn_detector.pdbx_collection_time_total . +_diffrn_detector.pdbx_collection_date 2013-12-27 +# +_diffrn_radiation.collimation . +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge . +_diffrn_radiation.inhomogeneity . +_diffrn_radiation.monochromator . +_diffrn_radiation.polarisn_norm . +_diffrn_radiation.polarisn_ratio . +_diffrn_radiation.probe . +_diffrn_radiation.type . +_diffrn_radiation.xray_symbol . +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list . +_diffrn_radiation.pdbx_wavelength . +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer . +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.97853 +_diffrn_radiation_wavelength.wt 1 +# +_diffrn_source.current . +_diffrn_source.details . +_diffrn_source.diffrn_id 1 +_diffrn_source.power . +_diffrn_source.size . +_diffrn_source.source SYNCHROTRON +_diffrn_source.target . +_diffrn_source.type 'SSRF BEAMLINE BL19U1' +_diffrn_source.voltage . +_diffrn_source.take-off_angle . +_diffrn_source.pdbx_wavelength_list 0.97853 +_diffrn_source.pdbx_wavelength . +_diffrn_source.pdbx_synchrotron_beamline BL19U1 +_diffrn_source.pdbx_synchrotron_site SSRF +# +_reflns.B_iso_Wilson_estimate . +_reflns.entry_id 5ZMZ +_reflns.data_reduction_details . +_reflns.data_reduction_method . +_reflns.d_resolution_high 1.4000000000000001 +_reflns.d_resolution_low 18.016000000000002 +_reflns.details . +_reflns.limit_h_max . +_reflns.limit_h_min . +_reflns.limit_k_max . +_reflns.limit_k_min . +_reflns.limit_l_max . +_reflns.limit_l_min . +_reflns.number_all . +_reflns.number_obs 564 +_reflns.observed_criterion . +_reflns.observed_criterion_F_max . +_reflns.observed_criterion_F_min . +_reflns.observed_criterion_I_max . +_reflns.observed_criterion_I_min . +_reflns.observed_criterion_sigma_F . +_reflns.observed_criterion_sigma_I . +_reflns.percent_possible_obs 94.31 +_reflns.R_free_details . +_reflns.Rmerge_F_all . +_reflns.Rmerge_F_obs . +_reflns.Friedel_coverage . +_reflns.number_gt . +_reflns.threshold_expression . +_reflns.pdbx_redundancy 12.600000000000001 +_reflns.pdbx_Rmerge_I_obs . +_reflns.pdbx_Rmerge_I_all . +_reflns.pdbx_Rsym_value . +_reflns.pdbx_netI_over_av_sigmaI . +_reflns.pdbx_netI_over_sigmaI 22.5 +_reflns.pdbx_res_netI_over_av_sigmaI_2 . +_reflns.pdbx_res_netI_over_sigmaI_2 . +_reflns.pdbx_chi_squared . +_reflns.pdbx_scaling_rejects . +_reflns.pdbx_d_res_high_opt . +_reflns.pdbx_d_res_low_opt . +_reflns.pdbx_d_res_opt_method . +_reflns.phase_calculation_details . +_reflns.pdbx_Rrim_I_all . +_reflns.pdbx_Rpim_I_all . +_reflns.pdbx_d_opt . +_reflns.pdbx_number_measured_all . +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.976 +_reflns.pdbx_R_split . +# +_reflns_shell.d_res_high 1.4000000000000001 +_reflns_shell.d_res_low 1.52 +_reflns_shell.meanI_over_sigI_all . +_reflns_shell.meanI_over_sigI_obs . +_reflns_shell.number_measured_all . +_reflns_shell.number_measured_obs . +_reflns_shell.number_possible . +_reflns_shell.number_unique_all . +_reflns_shell.number_unique_obs 136 +_reflns_shell.percent_possible_all . +_reflns_shell.percent_possible_obs . +_reflns_shell.Rmerge_F_all . +_reflns_shell.Rmerge_F_obs . +_reflns_shell.Rmerge_I_all . +_reflns_shell.Rmerge_I_obs . +_reflns_shell.meanI_over_sigI_gt . +_reflns_shell.meanI_over_uI_all . +_reflns_shell.meanI_over_uI_gt . +_reflns_shell.number_measured_gt . +_reflns_shell.number_unique_gt . +_reflns_shell.percent_possible_gt . +_reflns_shell.Rmerge_F_gt . +_reflns_shell.Rmerge_I_gt . +_reflns_shell.pdbx_redundancy . +_reflns_shell.pdbx_Rsym_value . +_reflns_shell.pdbx_chi_squared . +_reflns_shell.pdbx_netI_over_sigmaI_all . +_reflns_shell.pdbx_netI_over_sigmaI_obs . +_reflns_shell.pdbx_Rrim_I_all . +_reflns_shell.pdbx_Rpim_I_all . +_reflns_shell.pdbx_rejects . +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_CC_half 0.909 +_reflns_shell.pdbx_R_split . +# +_refine.aniso_B[1][1] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][2] . +_refine.aniso_B[2][3] . +_refine.aniso_B[3][3] . +_refine.B_iso_max . +_refine.B_iso_mean . +_refine.B_iso_min . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.details . +_refine.diff_density_max . +_refine.diff_density_max_esd . +_refine.diff_density_min . +_refine.diff_density_min_esd . +_refine.diff_density_rms . +_refine.diff_density_rms_esd . +_refine.entry_id 5ZMZ +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details . +_refine.ls_abs_structure_Flack . +_refine.ls_abs_structure_Flack_esd . +_refine.ls_abs_structure_Rogers . +_refine.ls_abs_structure_Rogers_esd . +_refine.ls_d_res_high 1.4000000000000001 +_refine.ls_d_res_low 18.016000000000002 +_refine.ls_extinction_coef . +_refine.ls_extinction_coef_esd . +_refine.ls_extinction_expression . +_refine.ls_extinction_method . +_refine.ls_goodness_of_fit_all . +_refine.ls_goodness_of_fit_all_esd . +_refine.ls_goodness_of_fit_obs . +_refine.ls_goodness_of_fit_obs_esd . +_refine.ls_hydrogen_treatment . +_refine.ls_matrix_type . +_refine.ls_number_constraints . +_refine.ls_number_parameters . +_refine.ls_number_reflns_all . +_refine.ls_number_reflns_obs 564 +_refine.ls_number_reflns_R_free 57 +_refine.ls_number_reflns_R_work . +_refine.ls_number_restraints . +_refine.ls_percent_reflns_obs 94.31 +_refine.ls_percent_reflns_R_free 10.11 +_refine.ls_R_factor_all . +_refine.ls_R_factor_obs 0.24 +_refine.ls_R_factor_R_free 0.2754 +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_R_factor_R_work 0.2349 +_refine.ls_R_Fsqd_factor_obs . +_refine.ls_R_I_factor_obs . +_refine.ls_redundancy_reflns_all . +_refine.ls_redundancy_reflns_obs . +_refine.ls_restrained_S_all . +_refine.ls_restrained_S_obs . +_refine.ls_shift_over_esd_max . +_refine.ls_shift_over_esd_mean . +_refine.ls_structure_factor_coef . +_refine.ls_weighting_details . +_refine.ls_weighting_scheme . +_refine.ls_wR_factor_all . +_refine.ls_wR_factor_obs . +_refine.ls_wR_factor_R_free . +_refine.ls_wR_factor_R_work . +_refine.occupancy_max . +_refine.occupancy_min . +_refine.solvent_model_details . +_refine.solvent_model_param_bsol . +_refine.solvent_model_param_ksol . +_refine.ls_R_factor_gt . +_refine.ls_goodness_of_fit_gt . +_refine.ls_goodness_of_fit_ref . +_refine.ls_shift_over_su_max . +_refine.ls_shift_over_su_max_lt . +_refine.ls_shift_over_su_mean . +_refine.ls_shift_over_su_mean_lt . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F 1.37 +_refine.pdbx_ls_sigma_Fsqd . +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model 5ZCK +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.pdbx_solvent_vdw_probe_radii 1.11 +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii 0.9 +_refine.pdbx_real_space_R . +_refine.pdbx_density_correlation . +_refine.pdbx_pd_number_of_powder_patterns . +_refine.pdbx_pd_number_of_points . +_refine.pdbx_pd_meas_number_of_points . +_refine.pdbx_pd_proc_ls_prof_R_factor . +_refine.pdbx_pd_proc_ls_prof_wR_factor . +_refine.pdbx_pd_Marquardt_correlation_coeff . +_refine.pdbx_pd_Fsqrd_R_factor . +_refine.pdbx_pd_ls_matrix_band_width . +_refine.pdbx_overall_phase_error 34.4 +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_TLS_residual_ADP_flag . +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B . +_refine.overall_SU_ML 0.21 +_refine.overall_SU_R_Cruickshank_DPI . +_refine.overall_SU_R_free . +_refine.overall_FOM_free_R_set . +_refine.overall_FOM_work_R_set . +_refine.pdbx_average_fsc_overall . +_refine.pdbx_average_fsc_work . +_refine.pdbx_average_fsc_free . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 30 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 1 +_refine_hist.number_atoms_total 31 +_refine_hist.d_res_high 1.4000000000000001 +_refine_hist.d_res_low 18.016000000000002 +# +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.criterion +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.rejects +_refine_ls_restr.type +_refine_ls_restr.weight +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' . 0.008 . 29 . f_bond_d . . +'X-RAY DIFFRACTION' . 1.184 . 38 . f_angle_d . . +'X-RAY DIFFRACTION' . 13.801 . 11 . f_dihedral_angle_d . . +'X-RAY DIFFRACTION' . 0.046 . 5 . f_chiral_restr . . +'X-RAY DIFFRACTION' . 0.003 . 5 . f_plane_restr . . +# +_struct.entry_id 5ZMZ +_struct.title 'Amyloid core of RIP1' +_struct.pdbx_descriptor 'Amyloid core of RIP1' +# +_struct_keywords.entry_id 5ZMZ +_struct_keywords.text 'amyloid core,RIP1,PROTEIN BINDING' +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' # loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING +_struct_asym.details +_struct_asym.entity_id +_struct_asym.id +_struct_asym.pdbx_modified +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N # _atom_sites.entry_id 5ZMZ _atom_sites.fract_transf_matrix[1][1] 0.033967 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0.011016 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.208333 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.055506 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # -_pdbx_nonpoly_scheme.asym_id B -_pdbx_nonpoly_scheme.entity_id 2 -_pdbx_nonpoly_scheme.mon_id HOH -_pdbx_nonpoly_scheme.ndb_seq_num 1 -_pdbx_nonpoly_scheme.pdb_seq_num 101 -_pdbx_nonpoly_scheme.auth_seq_num 2 -_pdbx_nonpoly_scheme.pdb_mon_id HOH -_pdbx_nonpoly_scheme.auth_mon_id HOH -_pdbx_nonpoly_scheme.pdb_strand_id A -_pdbx_nonpoly_scheme.pdb_ins_code . +loop_ +_atom_type.symbol +C +N +O # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -210,44 +561,150 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . ILE A 1 1 . 10.752 0.036 5.972 1 9.66 ? N ILE A 1 1 -ATOM 2 C CA . ILE A 1 1 . 9.668 0.212 5.018 1 6.08 ? CA ILE A 1 1 -ATOM 3 C C . ILE A 1 1 . 8.392 -0.442 5.537 1 5.76 ? C ILE A 1 1 -ATOM 4 O O . ILE A 1 1 . 8.347 -1.652 5.718 1 6.17 ? O ILE A 1 1 -ATOM 5 C CB . ILE A 1 1 . 10.03 -0.385 3.661 1 6.46 ? CB ILE A 1 1 -ATOM 6 C CG1 . ILE A 1 1 . 11.347 0.208 3.171 1 6.78 ? CG1 ILE A 1 1 -ATOM 7 C CG2 . ILE A 1 1 . 8.941 -0.12 2.654 1 5.89 ? CG2 ILE A 1 1 -ATOM 8 C CD1 . ILE A 1 1 . 11.88 -0.479 1.946 1 7.84 ? CD1 ILE A 1 1 -ATOM 9 N N . GLN A 1 2 . 7.375 0.381 5.789 1 4.41 ? N GLN A 2 1 -ATOM 10 C CA . GLN A 1 2 . 6.058 -0.066 6.22 1 5.68 ? CA GLN A 2 1 -ATOM 11 C C . GLN A 1 2 . 5.037 0.503 5.249 1 4.66 ? C GLN A 2 1 -ATOM 12 O O . GLN A 1 2 . 4.997 1.712 5.036 1 4.88 ? O GLN A 2 1 -ATOM 13 C CB . GLN A 1 2 . 5.765 0.395 7.656 1 5.23 ? CB GLN A 2 1 -ATOM 14 C CG . GLN A 1 2 . 6.582 -0.35 8.684 1 5.69 ? CG GLN A 2 1 -ATOM 15 C CD . GLN A 1 2 . 6.574 0.288 10.055 1 6.28 ? CD GLN A 2 1 -ATOM 16 O OE1 . GLN A 1 2 . 6.565 1.507 10.189 1 8.77 ? OE1 GLN A 2 1 -ATOM 17 N NE2 . GLN A 1 2 . 6.59 -0.542 11.083 1 7.11 ? NE2 GLN A 2 1 -ATOM 18 N N . ILE A 1 3 . 4.233 -0.374 4.655 1 4.19 ? N ILE A 3 1 -ATOM 19 C CA . ILE A 1 3 . 3.232 0.025 3.675 1 4.67 ? CA ILE A 3 1 -ATOM 20 C C . ILE A 1 3 . 1.914 -0.634 4.035 1 4.64 ? C ILE A 3 1 -ATOM 21 O O . ILE A 1 3 . 1.869 -1.847 4.188 1 5.74 ? O ILE A 3 1 -ATOM 22 C CB . ILE A 1 3 . 3.622 -0.389 2.234 1 4.72 ? CB ILE A 3 1 -ATOM 23 C CG1 . ILE A 1 3 . 4.984 0.195 1.851 1 5.93 ? CG1 ILE A 3 1 -ATOM 24 C CG2 . ILE A 1 3 . 2.547 0.047 1.265 1 6.45 ? CG2 ILE A 3 1 -ATOM 25 C CD1 . ILE A 1 3 . 5.566 -0.372 0.555 1 7.25 ? CD1 ILE A 3 1 -ATOM 26 N N . GLY A 1 4 . 0.853 0.149 4.188 1 5.86 ? N GLY A 4 1 -ATOM 27 C CA . GLY A 1 4 . -0.445 -0.445 4.467 1 9 ? CA GLY A 4 1 -ATOM 28 C C . GLY A 1 4 . -1.372 0.421 5.287 1 12.11 ? C GLY A 4 1 -ATOM 29 O O . GLY A 1 4 . -2.54 0.069 5.528 1 11.37 ? O GLY A 4 1 -ATOM 30 O OXT . GLY A 1 4 . -0.96 1.489 5.732 1 14.07 ? OXT GLY A 4 1 -HETATM 31 O O . HOH B 2 . . 9.657 2.092 9.206 1 20.41 ? O HOH A 101 1 -# -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 1 +ATOM 1 N N ILE 1 . . A 1 10.752 0.036 5.972 1 9.66 ? N ILE 1 A 1 +ATOM 2 C CA ILE 1 . . A 1 9.668 0.212 5.018 1 6.08 ? CA ILE 1 A 1 +ATOM 3 C C ILE 1 . . A 1 8.392 -0.442 5.537 1 5.76 ? C ILE 1 A 1 +ATOM 4 O O ILE 1 . . A 1 8.347 -1.652 5.718 1 6.17 ? O ILE 1 A 1 +ATOM 5 C CB ILE 1 . . A 1 10.03 -0.385 3.661 1 6.46 ? CB ILE 1 A 1 +ATOM 6 C CG1 ILE 1 . . A 1 11.347 0.208 3.171 1 6.78 ? CG1 ILE 1 A 1 +ATOM 7 C CG2 ILE 1 . . A 1 8.941 -0.12 2.654 1 5.89 ? CG2 ILE 1 A 1 +ATOM 8 C CD1 ILE 1 . . A 1 11.88 -0.479 1.946 1 7.84 ? CD1 ILE 1 A 1 +ATOM 9 N N GLN 2 . . A 1 7.375 0.381 5.789 1 4.41 ? N GLN 2 A 1 +ATOM 10 C CA GLN 2 . . A 1 6.058 -0.066 6.22 1 5.68 ? CA GLN 2 A 1 +ATOM 11 C C GLN 2 . . A 1 5.037 0.503 5.249 1 4.66 ? C GLN 2 A 1 +ATOM 12 O O GLN 2 . . A 1 4.997 1.712 5.036 1 4.88 ? O GLN 2 A 1 +ATOM 13 C CB GLN 2 . . A 1 5.765 0.395 7.656 1 5.23 ? CB GLN 2 A 1 +ATOM 14 C CG GLN 2 . . A 1 6.582 -0.35 8.684 1 5.69 ? CG GLN 2 A 1 +ATOM 15 C CD GLN 2 . . A 1 6.574 0.288 10.055 1 6.28 ? CD GLN 2 A 1 +ATOM 16 O OE1 GLN 2 . . A 1 6.565 1.507 10.189 1 8.77 ? OE1 GLN 2 A 1 +ATOM 17 N NE2 GLN 2 . . A 1 6.59 -0.542 11.083 1 7.11 ? NE2 GLN 2 A 1 +ATOM 18 N N ILE 3 . . A 1 4.233 -0.374 4.655 1 4.19 ? N ILE 3 A 1 +ATOM 19 C CA ILE 3 . . A 1 3.232 0.025 3.675 1 4.67 ? CA ILE 3 A 1 +ATOM 20 C C ILE 3 . . A 1 1.914 -0.634 4.035 1 4.64 ? C ILE 3 A 1 +ATOM 21 O O ILE 3 . . A 1 1.869 -1.847 4.188 1 5.74 ? O ILE 3 A 1 +ATOM 22 C CB ILE 3 . . A 1 3.622 -0.389 2.234 1 4.72 ? CB ILE 3 A 1 +ATOM 23 C CG1 ILE 3 . . A 1 4.984 0.195 1.851 1 5.93 ? CG1 ILE 3 A 1 +ATOM 24 C CG2 ILE 3 . . A 1 2.547 0.047 1.265 1 6.45 ? CG2 ILE 3 A 1 +ATOM 25 C CD1 ILE 3 . . A 1 5.566 -0.372 0.555 1 7.25 ? CD1 ILE 3 A 1 +ATOM 26 N N GLY 4 . . A 1 0.853 0.149 4.188 1 5.86 ? N GLY 4 A 1 +ATOM 27 C CA GLY 4 . . A 1 -0.445 -0.445 4.467 1 9 ? CA GLY 4 A 1 +ATOM 28 C C GLY 4 . . A 1 -1.372 0.421 5.287 1 12.11 ? C GLY 4 A 1 +ATOM 29 O O GLY 4 . . A 1 -2.54 0.069 5.528 1 11.37 ? O GLY 4 A 1 +ATOM 30 O OXT GLY 4 . . A 1 -0.96 1.489 5.732 1 14.07 ? OXT GLY 4 A 1 +HETATM 31 O O HOH . . . B 2 9.657 2.092 9.206 1 20.41 ? O HOH 101 A 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ILE 1 1 1 ILE ILE A . n +A 1 2 GLN 2 2 2 GLN GLN A . n +A 1 3 ILE 3 3 3 ILE ILE A . n +A 1 4 GLY 4 4 4 GLY GLY A . n +# +_pdbx_nonpoly_scheme.asym_id B +_pdbx_nonpoly_scheme.entity_id 2 +_pdbx_nonpoly_scheme.mon_id HOH +_pdbx_nonpoly_scheme.pdb_strand_id A +_pdbx_nonpoly_scheme.ndb_seq_num 1 +_pdbx_nonpoly_scheme.pdb_seq_num 101 +_pdbx_nonpoly_scheme.auth_seq_num 2 +_pdbx_nonpoly_scheme.pdb_mon_id HOH +_pdbx_nonpoly_scheme.auth_mon_id HOH +_pdbx_nonpoly_scheme.pdb_ins_code . +# +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 0 . +1 MORE 0 . +1 'SSA (A^2)' 690 . +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1 +_pdbx_struct_oper_list.matrix[1][2] 0 +_pdbx_struct_oper_list.matrix[1][3] 0 +_pdbx_struct_oper_list.matrix[2][1] 0 +_pdbx_struct_oper_list.matrix[2][2] 1 +_pdbx_struct_oper_list.matrix[2][3] 0 +_pdbx_struct_oper_list.matrix[3][1] 0 +_pdbx_struct_oper_list.matrix[3][2] 0 +_pdbx_struct_oper_list.matrix[3][3] 1 +_pdbx_struct_oper_list.vector[1] 0 +_pdbx_struct_oper_list.vector[2] 0 +_pdbx_struct_oper_list.vector[3] 0 +# +_pdbx_audit_revision_history.ordinal 1 +_pdbx_audit_revision_history.data_content_type 'Structure model' +_pdbx_audit_revision_history.major_revision 1 +_pdbx_audit_revision_history.minor_revision 0 +_pdbx_audit_revision_history.revision_date 2019-04-10 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +refinement ? ? PHENIX ? dev_1555 1 +'data reduction' ? ? HKL-3000 ? . 2 +'data scaling' ? ? HKL-3000 ? . 3 +phasing ? ? MLPHARE ? . 4 +# +_pdbx_audit_support.funding_organization . +_pdbx_audit_support.country China +_pdbx_audit_support.grant_number . +_pdbx_audit_support.ordinal 1 +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.comp_id HOH +_pdbx_entity_nonpoly.name water +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support none +_pdbx_struct_assembly_auth_evidence.details . +# +_model_server_stats.io_time_ms 2 +_model_server_stats.parse_time_ms 50 +_model_server_stats.create_model_time_ms 3 +_model_server_stats.query_time_ms 232 +_model_server_stats.encode_time_ms 28 +_model_server_stats.element_count 31 # diff --git a/src/test/resources/cif/5zmz.cif.gz b/src/test/resources/cif/5zmz.cif.gz index 76045777e..4ba7746bb 100644 Binary files a/src/test/resources/cif/5zmz.cif.gz and b/src/test/resources/cif/5zmz.cif.gz differ diff --git a/src/test/resources/cif/AF-O49373-F1-model_v4.cif b/src/test/resources/cif/AF-O49373-F1-model_v4.cif new file mode 100644 index 000000000..573ee2854 --- /dev/null +++ b/src/test/resources/cif/AF-O49373-F1-model_v4.cif @@ -0,0 +1,6128 @@ +data_AF-O49373-F1 +# +_entry.id AF-O49373-F1 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +"Jumper, John" 1 +"Evans, Richard" 2 +"Pritzel, Alexander" 3 +"Green, Tim" 4 +"Figurnov, Michael" 5 +"Ronneberger, Olaf" 6 +"Tunyasuvunakool, Kathryn" 7 +"Bates, Russ" 8 +"Zidek, Augustin" 9 +"Potapenko, Anna" 10 +"Bridgland, Alex" 11 +"Meyer, Clemens" 12 +"Kohl, Simon A. A." 13 +"Ballard, Andrew J." 14 +"Cowie, Andrew" 15 +"Romera-Paredes, Bernardino" 16 +"Nikolov, Stanislav" 17 +"Jain, Rishub" 18 +"Adler, Jonas" 19 +"Back, Trevor" 20 +"Petersen, Stig" 21 +"Reiman, David" 22 +"Clancy, Ellen" 23 +"Zielinski, Michal" 24 +"Steinegger, Martin" 25 +"Pacholska, Michalina" 26 +"Berghammer, Tamas" 27 +"Silver, David" 28 +"Vinyals, Oriol" 29 +"Senior, Andrew W." 30 +"Kavukcuoglu, Koray" 31 +"Kohli, Pushmeet" 32 +"Hassabis, Demis" 33 +# +_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic +_audit_conform.dict_name mmcif_ma.dic +_audit_conform.dict_version 1.3.9 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.type +"C3 H7 N O2" 89.093 ALA y ALANINE ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" ? "L-PEPTIDE LINKING" +"C3 H7 N O2 S" 121.158 CYS y CYSTEINE ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE ? "PEPTIDE LINKING" +"C6 H10 N3 O2" 156.162 HIS y HISTIDINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE ? "L-PEPTIDE LINKING" +"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE ? "L-PEPTIDE LINKING" +# +_citation.book_publisher ? +_citation.country UK +_citation.id primary +_citation.journal_full Nature +_citation.journal_id_ASTM NATUAS +_citation.journal_id_CSD 0006 +_citation.journal_id_ISSN 0028-0836 +_citation.journal_volume 596 +_citation.page_first 583 +_citation.page_last 589 +_citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 +_citation.pdbx_database_id_PubMed 34265844 +_citation.title "Highly accurate protein structure prediction with AlphaFold" +_citation.year 2021 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +1 "Jumper, John" 1 +1 "Evans, Richard" 2 +1 "Pritzel, Alexander" 3 +1 "Green, Tim" 4 +1 "Figurnov, Michael" 5 +1 "Ronneberger, Olaf" 6 +1 "Tunyasuvunakool, Kathryn" 7 +1 "Bates, Russ" 8 +1 "Zidek, Augustin" 9 +1 "Potapenko, Anna" 10 +1 "Bridgland, Alex" 11 +1 "Meyer, Clemens" 12 +1 "Kohl, Simon A. A." 13 +1 "Ballard, Andrew J." 14 +1 "Cowie, Andrew" 15 +1 "Romera-Paredes, Bernardino" 16 +1 "Nikolov, Stanislav" 17 +1 "Jain, Rishub" 18 +1 "Adler, Jonas" 19 +1 "Back, Trevor" 20 +1 "Petersen, Stig" 21 +1 "Reiman, David" 22 +1 "Clancy, Ellen" 23 +1 "Zielinski, Michal" 24 +1 "Steinegger, Martin" 25 +1 "Pacholska, Michalina" 26 +1 "Berghammer, Tamas" 27 +1 "Silver, David" 28 +1 "Vinyals, Oriol" 29 +1 "Senior, Andrew W." 30 +1 "Kavukcuoglu, Koray" 31 +1 "Kohli, Pushmeet" 32 +1 "Hassabis, Demis" 33 +# +_database_2.database_code AF-O49373-F1 +_database_2.database_id AlphaFoldDB +# +_entity.details ? +_entity.formula_weight ? +_entity.id 1 +_entity.pdbx_description "Cytochrome P450, family 96, subfamily A, polypeptide 2" +_entity.pdbx_ec ? +_entity.pdbx_fragment ? +_entity.pdbx_mutation ? +_entity.pdbx_number_of_molecules 1 +_entity.src_method man +_entity.type polymer +# +_entity_poly.entity_id 1 +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MASISLLQVSVAILCFLILHYFLFKKPHGRYPRNWPVLRMLPAMLKALHRIYDYSVKILETSDLTFPFKGPRFTGMDMLL +TVDPANIHHIMSSNFSNYIKGPEFQDVFDVLGDSFITTDSELWKNMRKSYQAMLHSQEFQRFSMSTMTSKLKYGLVPLLN +HFAEEGTTLDLQSVFGRFTFDTIFILVTGSDPRSLSIEMPEDEFAKALDDVGEGILYRHFKPRFLWKLQNWIGFGQEKKL +TEANATFDRVCAKYISAKREEIKRSQGTSNGGSQDLLTSFIKLDTTKYKLLNPSDDKFLRDNILAFILAGRDTTATALSW +FFWLLSENPHVVAKIHQEININTDLSRTGNSQENVDKLVYLHGALCEAMRLYPPVSFGRKSPIKSDVLPSGHKVDANSKI +IICLYALGRMRAVWGEDASQFKPERWISENGGIKHEPSFKFLSFNAGPRTCLGKHLAMTQMKIVAVEILRNYDIKVLQGQ +KIVPALGFILSMKHGLQITVTKRCSA +; +_entity_poly.pdbx_seq_one_letter_code_can +;MASISLLQVSVAILCFLILHYFLFKKPHGRYPRNWPVLRMLPAMLKALHRIYDYSVKILETSDLTFPFKGPRFTGMDMLL +TVDPANIHHIMSSNFSNYIKGPEFQDVFDVLGDSFITTDSELWKNMRKSYQAMLHSQEFQRFSMSTMTSKLKYGLVPLLN +HFAEEGTTLDLQSVFGRFTFDTIFILVTGSDPRSLSIEMPEDEFAKALDDVGEGILYRHFKPRFLWKLQNWIGFGQEKKL +TEANATFDRVCAKYISAKREEIKRSQGTSNGGSQDLLTSFIKLDTTKYKLLNPSDDKFLRDNILAFILAGRDTTATALSW +FFWLLSENPHVVAKIHQEININTDLSRTGNSQENVDKLVYLHGALCEAMRLYPPVSFGRKSPIKSDVLPSGHKVDANSKI +IICLYALGRMRAVWGEDASQFKPERWISENGGIKHEPSFKFLSFNAGPRTCLGKHLAMTQMKIVAVEILRNYDIKVLQGQ +KIVPALGFILSMKHGLQITVTKRCSA +; +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n MET 1 +1 n ALA 2 +1 n SER 3 +1 n ILE 4 +1 n SER 5 +1 n LEU 6 +1 n LEU 7 +1 n GLN 8 +1 n VAL 9 +1 n SER 10 +1 n VAL 11 +1 n ALA 12 +1 n ILE 13 +1 n LEU 14 +1 n CYS 15 +1 n PHE 16 +1 n LEU 17 +1 n ILE 18 +1 n LEU 19 +1 n HIS 20 +1 n TYR 21 +1 n PHE 22 +1 n LEU 23 +1 n PHE 24 +1 n LYS 25 +1 n LYS 26 +1 n PRO 27 +1 n HIS 28 +1 n GLY 29 +1 n ARG 30 +1 n TYR 31 +1 n PRO 32 +1 n ARG 33 +1 n ASN 34 +1 n TRP 35 +1 n PRO 36 +1 n VAL 37 +1 n LEU 38 +1 n ARG 39 +1 n MET 40 +1 n LEU 41 +1 n PRO 42 +1 n ALA 43 +1 n MET 44 +1 n LEU 45 +1 n LYS 46 +1 n ALA 47 +1 n LEU 48 +1 n HIS 49 +1 n ARG 50 +1 n ILE 51 +1 n TYR 52 +1 n ASP 53 +1 n TYR 54 +1 n SER 55 +1 n VAL 56 +1 n LYS 57 +1 n ILE 58 +1 n LEU 59 +1 n GLU 60 +1 n THR 61 +1 n SER 62 +1 n ASP 63 +1 n LEU 64 +1 n THR 65 +1 n PHE 66 +1 n PRO 67 +1 n PHE 68 +1 n LYS 69 +1 n GLY 70 +1 n PRO 71 +1 n ARG 72 +1 n PHE 73 +1 n THR 74 +1 n GLY 75 +1 n MET 76 +1 n ASP 77 +1 n MET 78 +1 n LEU 79 +1 n LEU 80 +1 n THR 81 +1 n VAL 82 +1 n ASP 83 +1 n PRO 84 +1 n ALA 85 +1 n ASN 86 +1 n ILE 87 +1 n HIS 88 +1 n HIS 89 +1 n ILE 90 +1 n MET 91 +1 n SER 92 +1 n SER 93 +1 n ASN 94 +1 n PHE 95 +1 n SER 96 +1 n ASN 97 +1 n TYR 98 +1 n ILE 99 +1 n LYS 100 +1 n GLY 101 +1 n PRO 102 +1 n GLU 103 +1 n PHE 104 +1 n GLN 105 +1 n ASP 106 +1 n VAL 107 +1 n PHE 108 +1 n ASP 109 +1 n VAL 110 +1 n LEU 111 +1 n GLY 112 +1 n ASP 113 +1 n SER 114 +1 n PHE 115 +1 n ILE 116 +1 n THR 117 +1 n THR 118 +1 n ASP 119 +1 n SER 120 +1 n GLU 121 +1 n LEU 122 +1 n TRP 123 +1 n LYS 124 +1 n ASN 125 +1 n MET 126 +1 n ARG 127 +1 n LYS 128 +1 n SER 129 +1 n TYR 130 +1 n GLN 131 +1 n ALA 132 +1 n MET 133 +1 n LEU 134 +1 n HIS 135 +1 n SER 136 +1 n GLN 137 +1 n GLU 138 +1 n PHE 139 +1 n GLN 140 +1 n ARG 141 +1 n PHE 142 +1 n SER 143 +1 n MET 144 +1 n SER 145 +1 n THR 146 +1 n MET 147 +1 n THR 148 +1 n SER 149 +1 n LYS 150 +1 n LEU 151 +1 n LYS 152 +1 n TYR 153 +1 n GLY 154 +1 n LEU 155 +1 n VAL 156 +1 n PRO 157 +1 n LEU 158 +1 n LEU 159 +1 n ASN 160 +1 n HIS 161 +1 n PHE 162 +1 n ALA 163 +1 n GLU 164 +1 n GLU 165 +1 n GLY 166 +1 n THR 167 +1 n THR 168 +1 n LEU 169 +1 n ASP 170 +1 n LEU 171 +1 n GLN 172 +1 n SER 173 +1 n VAL 174 +1 n PHE 175 +1 n GLY 176 +1 n ARG 177 +1 n PHE 178 +1 n THR 179 +1 n PHE 180 +1 n ASP 181 +1 n THR 182 +1 n ILE 183 +1 n PHE 184 +1 n ILE 185 +1 n LEU 186 +1 n VAL 187 +1 n THR 188 +1 n GLY 189 +1 n SER 190 +1 n ASP 191 +1 n PRO 192 +1 n ARG 193 +1 n SER 194 +1 n LEU 195 +1 n SER 196 +1 n ILE 197 +1 n GLU 198 +1 n MET 199 +1 n PRO 200 +1 n GLU 201 +1 n ASP 202 +1 n GLU 203 +1 n PHE 204 +1 n ALA 205 +1 n LYS 206 +1 n ALA 207 +1 n LEU 208 +1 n ASP 209 +1 n ASP 210 +1 n VAL 211 +1 n GLY 212 +1 n GLU 213 +1 n GLY 214 +1 n ILE 215 +1 n LEU 216 +1 n TYR 217 +1 n ARG 218 +1 n HIS 219 +1 n PHE 220 +1 n LYS 221 +1 n PRO 222 +1 n ARG 223 +1 n PHE 224 +1 n LEU 225 +1 n TRP 226 +1 n LYS 227 +1 n LEU 228 +1 n GLN 229 +1 n ASN 230 +1 n TRP 231 +1 n ILE 232 +1 n GLY 233 +1 n PHE 234 +1 n GLY 235 +1 n GLN 236 +1 n GLU 237 +1 n LYS 238 +1 n LYS 239 +1 n LEU 240 +1 n THR 241 +1 n GLU 242 +1 n ALA 243 +1 n ASN 244 +1 n ALA 245 +1 n THR 246 +1 n PHE 247 +1 n ASP 248 +1 n ARG 249 +1 n VAL 250 +1 n CYS 251 +1 n ALA 252 +1 n LYS 253 +1 n TYR 254 +1 n ILE 255 +1 n SER 256 +1 n ALA 257 +1 n LYS 258 +1 n ARG 259 +1 n GLU 260 +1 n GLU 261 +1 n ILE 262 +1 n LYS 263 +1 n ARG 264 +1 n SER 265 +1 n GLN 266 +1 n GLY 267 +1 n THR 268 +1 n SER 269 +1 n ASN 270 +1 n GLY 271 +1 n GLY 272 +1 n SER 273 +1 n GLN 274 +1 n ASP 275 +1 n LEU 276 +1 n LEU 277 +1 n THR 278 +1 n SER 279 +1 n PHE 280 +1 n ILE 281 +1 n LYS 282 +1 n LEU 283 +1 n ASP 284 +1 n THR 285 +1 n THR 286 +1 n LYS 287 +1 n TYR 288 +1 n LYS 289 +1 n LEU 290 +1 n LEU 291 +1 n ASN 292 +1 n PRO 293 +1 n SER 294 +1 n ASP 295 +1 n ASP 296 +1 n LYS 297 +1 n PHE 298 +1 n LEU 299 +1 n ARG 300 +1 n ASP 301 +1 n ASN 302 +1 n ILE 303 +1 n LEU 304 +1 n ALA 305 +1 n PHE 306 +1 n ILE 307 +1 n LEU 308 +1 n ALA 309 +1 n GLY 310 +1 n ARG 311 +1 n ASP 312 +1 n THR 313 +1 n THR 314 +1 n ALA 315 +1 n THR 316 +1 n ALA 317 +1 n LEU 318 +1 n SER 319 +1 n TRP 320 +1 n PHE 321 +1 n PHE 322 +1 n TRP 323 +1 n LEU 324 +1 n LEU 325 +1 n SER 326 +1 n GLU 327 +1 n ASN 328 +1 n PRO 329 +1 n HIS 330 +1 n VAL 331 +1 n VAL 332 +1 n ALA 333 +1 n LYS 334 +1 n ILE 335 +1 n HIS 336 +1 n GLN 337 +1 n GLU 338 +1 n ILE 339 +1 n ASN 340 +1 n ILE 341 +1 n ASN 342 +1 n THR 343 +1 n ASP 344 +1 n LEU 345 +1 n SER 346 +1 n ARG 347 +1 n THR 348 +1 n GLY 349 +1 n ASN 350 +1 n SER 351 +1 n GLN 352 +1 n GLU 353 +1 n ASN 354 +1 n VAL 355 +1 n ASP 356 +1 n LYS 357 +1 n LEU 358 +1 n VAL 359 +1 n TYR 360 +1 n LEU 361 +1 n HIS 362 +1 n GLY 363 +1 n ALA 364 +1 n LEU 365 +1 n CYS 366 +1 n GLU 367 +1 n ALA 368 +1 n MET 369 +1 n ARG 370 +1 n LEU 371 +1 n TYR 372 +1 n PRO 373 +1 n PRO 374 +1 n VAL 375 +1 n SER 376 +1 n PHE 377 +1 n GLY 378 +1 n ARG 379 +1 n LYS 380 +1 n SER 381 +1 n PRO 382 +1 n ILE 383 +1 n LYS 384 +1 n SER 385 +1 n ASP 386 +1 n VAL 387 +1 n LEU 388 +1 n PRO 389 +1 n SER 390 +1 n GLY 391 +1 n HIS 392 +1 n LYS 393 +1 n VAL 394 +1 n ASP 395 +1 n ALA 396 +1 n ASN 397 +1 n SER 398 +1 n LYS 399 +1 n ILE 400 +1 n ILE 401 +1 n ILE 402 +1 n CYS 403 +1 n LEU 404 +1 n TYR 405 +1 n ALA 406 +1 n LEU 407 +1 n GLY 408 +1 n ARG 409 +1 n MET 410 +1 n ARG 411 +1 n ALA 412 +1 n VAL 413 +1 n TRP 414 +1 n GLY 415 +1 n GLU 416 +1 n ASP 417 +1 n ALA 418 +1 n SER 419 +1 n GLN 420 +1 n PHE 421 +1 n LYS 422 +1 n PRO 423 +1 n GLU 424 +1 n ARG 425 +1 n TRP 426 +1 n ILE 427 +1 n SER 428 +1 n GLU 429 +1 n ASN 430 +1 n GLY 431 +1 n GLY 432 +1 n ILE 433 +1 n LYS 434 +1 n HIS 435 +1 n GLU 436 +1 n PRO 437 +1 n SER 438 +1 n PHE 439 +1 n LYS 440 +1 n PHE 441 +1 n LEU 442 +1 n SER 443 +1 n PHE 444 +1 n ASN 445 +1 n ALA 446 +1 n GLY 447 +1 n PRO 448 +1 n ARG 449 +1 n THR 450 +1 n CYS 451 +1 n LEU 452 +1 n GLY 453 +1 n LYS 454 +1 n HIS 455 +1 n LEU 456 +1 n ALA 457 +1 n MET 458 +1 n THR 459 +1 n GLN 460 +1 n MET 461 +1 n LYS 462 +1 n ILE 463 +1 n VAL 464 +1 n ALA 465 +1 n VAL 466 +1 n GLU 467 +1 n ILE 468 +1 n LEU 469 +1 n ARG 470 +1 n ASN 471 +1 n TYR 472 +1 n ASP 473 +1 n ILE 474 +1 n LYS 475 +1 n VAL 476 +1 n LEU 477 +1 n GLN 478 +1 n GLY 479 +1 n GLN 480 +1 n LYS 481 +1 n ILE 482 +1 n VAL 483 +1 n PRO 484 +1 n ALA 485 +1 n LEU 486 +1 n GLY 487 +1 n PHE 488 +1 n ILE 489 +1 n LEU 490 +1 n SER 491 +1 n MET 492 +1 n LYS 493 +1 n HIS 494 +1 n GLY 495 +1 n LEU 496 +1 n GLN 497 +1 n ILE 498 +1 n THR 499 +1 n VAL 500 +1 n THR 501 +1 n LYS 502 +1 n ARG 503 +1 n CYS 504 +1 n SER 505 +1 n ALA 506 +# +loop_ +_ma_data.content_type +_ma_data.id +_ma_data.name +"model coordinates" 1 Model +"input structure" 2 "Input structure" +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold Monomer v2.0 model" +_ma_model_list.model_id 1 +_ma_model_list.model_name "Top ranked model" +_ma_model_list.model_type "Ab initio model" +_ma_model_list.ordinal_id 1 +# +loop_ +_ma_protocol_step.method_type +_ma_protocol_step.ordinal_id +_ma_protocol_step.protocol_id +_ma_protocol_step.step_id +"coevolution MSA" 1 1 1 +"template search" 2 1 2 +modeling 3 1 3 +# +loop_ +_ma_qa_metric.id +_ma_qa_metric.mode +_ma_qa_metric.name +_ma_qa_metric.software_group_id +_ma_qa_metric.type +1 global pLDDT 1 pLDDT +2 local pLDDT 1 pLDDT +# +_ma_qa_metric_global.metric_id 1 +_ma_qa_metric_global.metric_value 91.40 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +loop_ +_ma_qa_metric_local.label_asym_id +_ma_qa_metric_local.label_comp_id +_ma_qa_metric_local.label_seq_id +_ma_qa_metric_local.metric_id +_ma_qa_metric_local.metric_value +_ma_qa_metric_local.model_id +_ma_qa_metric_local.ordinal_id +A MET 1 2 42.67 1 1 +A ALA 2 2 58.55 1 2 +A SER 3 2 64.28 1 3 +A ILE 4 2 68.22 1 4 +A SER 5 2 80.60 1 5 +A LEU 6 2 82.98 1 6 +A LEU 7 2 83.36 1 7 +A GLN 8 2 85.35 1 8 +A VAL 9 2 86.99 1 9 +A SER 10 2 83.77 1 10 +A VAL 11 2 85.62 1 11 +A ALA 12 2 85.21 1 12 +A ILE 13 2 86.13 1 13 +A LEU 14 2 83.66 1 14 +A CYS 15 2 81.64 1 15 +A PHE 16 2 82.18 1 16 +A LEU 17 2 79.94 1 17 +A ILE 18 2 75.60 1 18 +A LEU 19 2 72.79 1 19 +A HIS 20 2 72.74 1 20 +A TYR 21 2 68.64 1 21 +A PHE 22 2 62.15 1 22 +A LEU 23 2 62.19 1 23 +A PHE 24 2 61.34 1 24 +A LYS 25 2 56.19 1 25 +A LYS 26 2 55.06 1 26 +A PRO 27 2 54.86 1 27 +A HIS 28 2 47.21 1 28 +A GLY 29 2 56.92 1 29 +A ARG 30 2 67.31 1 30 +A TYR 31 2 75.08 1 31 +A PRO 32 2 79.46 1 32 +A ARG 33 2 79.48 1 33 +A ASN 34 2 83.59 1 34 +A TRP 35 2 81.25 1 35 +A PRO 36 2 79.74 1 36 +A VAL 37 2 83.00 1 37 +A LEU 38 2 83.90 1 38 +A ARG 39 2 90.06 1 39 +A MET 40 2 92.50 1 40 +A LEU 41 2 88.32 1 41 +A PRO 42 2 87.80 1 42 +A ALA 43 2 87.03 1 43 +A MET 44 2 88.09 1 44 +A LEU 45 2 88.77 1 45 +A LYS 46 2 88.31 1 46 +A ALA 47 2 90.44 1 47 +A LEU 48 2 89.83 1 48 +A HIS 49 2 89.65 1 49 +A ARG 50 2 91.78 1 50 +A ILE 51 2 93.29 1 51 +A TYR 52 2 95.32 1 52 +A ASP 53 2 94.79 1 53 +A TYR 54 2 94.46 1 54 +A SER 55 2 95.41 1 55 +A VAL 56 2 96.73 1 56 +A LYS 57 2 95.25 1 57 +A ILE 58 2 95.15 1 58 +A LEU 59 2 97.04 1 59 +A GLU 60 2 94.95 1 60 +A THR 61 2 94.00 1 61 +A SER 62 2 93.95 1 62 +A ASP 63 2 93.95 1 63 +A LEU 64 2 97.83 1 64 +A THR 65 2 97.97 1 65 +A PHE 66 2 96.68 1 66 +A PRO 67 2 95.24 1 67 +A PHE 68 2 94.65 1 68 +A LYS 69 2 92.45 1 69 +A GLY 70 2 90.46 1 70 +A PRO 71 2 89.19 1 71 +A ARG 72 2 82.76 1 72 +A PHE 73 2 80.92 1 73 +A THR 74 2 86.13 1 74 +A GLY 75 2 86.17 1 75 +A MET 76 2 90.98 1 76 +A ASP 77 2 93.12 1 77 +A MET 78 2 95.40 1 78 +A LEU 79 2 97.51 1 79 +A LEU 80 2 98.02 1 80 +A THR 81 2 98.48 1 81 +A VAL 82 2 98.44 1 82 +A ASP 83 2 98.31 1 83 +A PRO 84 2 98.23 1 84 +A ALA 85 2 98.23 1 85 +A ASN 86 2 98.53 1 86 +A ILE 87 2 98.49 1 87 +A HIS 88 2 98.35 1 88 +A HIS 89 2 98.40 1 89 +A ILE 90 2 98.35 1 90 +A MET 91 2 97.56 1 91 +A SER 92 2 96.54 1 92 +A SER 93 2 97.17 1 93 +A ASN 94 2 97.33 1 94 +A PHE 95 2 96.30 1 95 +A SER 96 2 96.08 1 96 +A ASN 97 2 97.93 1 97 +A TYR 98 2 97.94 1 98 +A ILE 99 2 96.92 1 99 +A LYS 100 2 95.86 1 100 +A GLY 101 2 93.54 1 101 +A PRO 102 2 92.64 1 102 +A GLU 103 2 92.34 1 103 +A PHE 104 2 94.85 1 104 +A GLN 105 2 94.68 1 105 +A ASP 106 2 94.46 1 106 +A VAL 107 2 94.86 1 107 +A PHE 108 2 95.11 1 108 +A ASP 109 2 94.92 1 109 +A VAL 110 2 95.26 1 110 +A LEU 111 2 95.23 1 111 +A GLY 112 2 94.86 1 112 +A ASP 113 2 94.75 1 113 +A SER 114 2 95.39 1 114 +A PHE 115 2 92.67 1 115 +A ILE 116 2 93.63 1 116 +A THR 117 2 96.06 1 117 +A THR 118 2 95.84 1 118 +A ASP 119 2 95.49 1 119 +A SER 120 2 93.22 1 120 +A GLU 121 2 94.37 1 121 +A LEU 122 2 94.25 1 122 +A TRP 123 2 95.54 1 123 +A LYS 124 2 95.02 1 124 +A ASN 125 2 94.82 1 125 +A MET 126 2 95.16 1 126 +A ARG 127 2 95.33 1 127 +A LYS 128 2 95.09 1 128 +A SER 129 2 94.80 1 129 +A TYR 130 2 94.92 1 130 +A GLN 131 2 94.78 1 131 +A ALA 132 2 93.17 1 132 +A MET 133 2 92.76 1 133 +A LEU 134 2 93.01 1 134 +A HIS 135 2 91.12 1 135 +A SER 136 2 91.95 1 136 +A GLN 137 2 90.61 1 137 +A GLU 138 2 91.14 1 138 +A PHE 139 2 92.91 1 139 +A GLN 140 2 91.51 1 140 +A ARG 141 2 91.51 1 141 +A PHE 142 2 93.80 1 142 +A SER 143 2 93.46 1 143 +A MET 144 2 91.50 1 144 +A SER 145 2 92.36 1 145 +A THR 146 2 94.45 1 146 +A MET 147 2 93.01 1 147 +A THR 148 2 92.30 1 148 +A SER 149 2 94.49 1 149 +A LYS 150 2 95.48 1 150 +A LEU 151 2 94.93 1 151 +A LYS 152 2 94.19 1 152 +A TYR 153 2 95.09 1 153 +A GLY 154 2 95.57 1 154 +A LEU 155 2 96.42 1 155 +A VAL 156 2 95.91 1 156 +A PRO 157 2 96.41 1 157 +A LEU 158 2 96.64 1 158 +A LEU 159 2 97.03 1 159 +A ASN 160 2 96.42 1 160 +A HIS 161 2 96.33 1 161 +A PHE 162 2 95.78 1 162 +A ALA 163 2 95.54 1 163 +A GLU 164 2 95.53 1 164 +A GLU 165 2 94.22 1 165 +A GLY 166 2 91.54 1 166 +A THR 167 2 93.44 1 167 +A THR 168 2 94.36 1 168 +A LEU 169 2 95.04 1 169 +A ASP 170 2 95.76 1 170 +A LEU 171 2 97.09 1 171 +A GLN 172 2 96.57 1 172 +A SER 173 2 95.20 1 173 +A VAL 174 2 96.81 1 174 +A PHE 175 2 97.52 1 175 +A GLY 176 2 95.47 1 176 +A ARG 177 2 95.45 1 177 +A PHE 178 2 96.92 1 178 +A THR 179 2 96.65 1 179 +A PHE 180 2 95.59 1 180 +A ASP 181 2 95.34 1 181 +A THR 182 2 96.65 1 182 +A ILE 183 2 96.38 1 183 +A PHE 184 2 95.44 1 184 +A ILE 185 2 96.28 1 185 +A LEU 186 2 96.77 1 186 +A VAL 187 2 96.37 1 187 +A THR 188 2 95.10 1 188 +A GLY 189 2 94.05 1 189 +A SER 190 2 93.18 1 190 +A ASP 191 2 93.16 1 191 +A PRO 192 2 91.16 1 192 +A ARG 193 2 91.25 1 193 +A SER 194 2 92.21 1 194 +A LEU 195 2 93.66 1 195 +A SER 196 2 92.58 1 196 +A ILE 197 2 90.01 1 197 +A GLU 198 2 87.89 1 198 +A MET 199 2 86.62 1 199 +A PRO 200 2 86.35 1 200 +A GLU 201 2 83.13 1 201 +A ASP 202 2 82.80 1 202 +A GLU 203 2 91.35 1 203 +A PHE 204 2 89.12 1 204 +A ALA 205 2 84.85 1 205 +A LYS 206 2 91.51 1 206 +A ALA 207 2 94.88 1 207 +A LEU 208 2 90.25 1 208 +A ASP 209 2 90.48 1 209 +A ASP 210 2 93.42 1 210 +A VAL 211 2 93.83 1 211 +A GLY 212 2 90.56 1 212 +A GLU 213 2 91.31 1 213 +A GLY 214 2 93.90 1 214 +A ILE 215 2 94.46 1 215 +A LEU 216 2 93.05 1 216 +A TYR 217 2 92.43 1 217 +A ARG 218 2 94.28 1 218 +A HIS 219 2 92.30 1 219 +A PHE 220 2 90.23 1 220 +A LYS 221 2 90.29 1 221 +A PRO 222 2 91.50 1 222 +A ARG 223 2 91.84 1 223 +A PHE 224 2 91.89 1 224 +A LEU 225 2 92.38 1 225 +A TRP 226 2 93.62 1 226 +A LYS 227 2 94.27 1 227 +A LEU 228 2 94.02 1 228 +A GLN 229 2 94.43 1 229 +A ASN 230 2 92.92 1 230 +A TRP 231 2 93.17 1 231 +A ILE 232 2 94.35 1 232 +A GLY 233 2 92.60 1 233 +A PHE 234 2 91.33 1 234 +A GLY 235 2 90.45 1 235 +A GLN 236 2 91.11 1 236 +A GLU 237 2 94.54 1 237 +A LYS 238 2 95.49 1 238 +A LYS 239 2 95.45 1 239 +A LEU 240 2 95.44 1 240 +A THR 241 2 95.93 1 241 +A GLU 242 2 96.46 1 242 +A ALA 243 2 96.70 1 243 +A ASN 244 2 96.45 1 244 +A ALA 245 2 96.97 1 245 +A THR 246 2 97.21 1 246 +A PHE 247 2 96.48 1 247 +A ASP 248 2 97.23 1 248 +A ARG 249 2 97.07 1 249 +A VAL 250 2 95.00 1 250 +A CYS 251 2 96.20 1 251 +A ALA 252 2 97.21 1 252 +A LYS 253 2 96.28 1 253 +A TYR 254 2 95.20 1 254 +A ILE 255 2 96.77 1 255 +A SER 256 2 96.68 1 256 +A ALA 257 2 94.95 1 257 +A LYS 258 2 94.51 1 258 +A ARG 259 2 93.65 1 259 +A GLU 260 2 93.44 1 260 +A GLU 261 2 91.64 1 261 +A ILE 262 2 89.73 1 262 +A LYS 263 2 89.38 1 263 +A ARG 264 2 87.91 1 264 +A SER 265 2 81.68 1 265 +A GLN 266 2 68.62 1 266 +A GLY 267 2 55.23 1 267 +A THR 268 2 53.57 1 268 +A SER 269 2 46.53 1 269 +A ASN 270 2 42.57 1 270 +A GLY 271 2 49.18 1 271 +A GLY 272 2 55.37 1 272 +A SER 273 2 67.70 1 273 +A GLN 274 2 84.36 1 274 +A ASP 275 2 94.40 1 275 +A LEU 276 2 94.64 1 276 +A LEU 277 2 95.21 1 277 +A THR 278 2 94.10 1 278 +A SER 279 2 92.53 1 279 +A PHE 280 2 92.69 1 280 +A ILE 281 2 93.64 1 281 +A LYS 282 2 91.23 1 282 +A LEU 283 2 89.59 1 283 +A ASP 284 2 86.84 1 284 +A THR 285 2 88.70 1 285 +A THR 286 2 88.63 1 286 +A LYS 287 2 88.94 1 287 +A TYR 288 2 90.54 1 288 +A LYS 289 2 87.72 1 289 +A LEU 290 2 90.82 1 290 +A LEU 291 2 93.76 1 291 +A ASN 292 2 92.50 1 292 +A PRO 293 2 91.71 1 293 +A SER 294 2 92.77 1 294 +A ASP 295 2 95.21 1 295 +A ASP 296 2 95.71 1 296 +A LYS 297 2 96.01 1 297 +A PHE 298 2 95.73 1 298 +A LEU 299 2 96.82 1 299 +A ARG 300 2 97.00 1 300 +A ASP 301 2 97.12 1 301 +A ASN 302 2 95.82 1 302 +A ILE 303 2 95.96 1 303 +A LEU 304 2 96.76 1 304 +A ALA 305 2 96.34 1 305 +A PHE 306 2 96.42 1 306 +A ILE 307 2 95.64 1 307 +A LEU 308 2 94.71 1 308 +A ALA 309 2 95.77 1 309 +A GLY 310 2 95.30 1 310 +A ARG 311 2 95.15 1 311 +A ASP 312 2 94.86 1 312 +A THR 313 2 97.55 1 313 +A THR 314 2 98.14 1 314 +A ALA 315 2 97.84 1 315 +A THR 316 2 98.18 1 316 +A ALA 317 2 98.80 1 317 +A LEU 318 2 98.75 1 318 +A SER 319 2 98.54 1 319 +A TRP 320 2 98.72 1 320 +A PHE 321 2 98.78 1 321 +A PHE 322 2 98.47 1 322 +A TRP 323 2 98.23 1 323 +A LEU 324 2 98.25 1 324 +A LEU 325 2 98.26 1 325 +A SER 326 2 96.36 1 326 +A GLU 327 2 96.05 1 327 +A ASN 328 2 97.85 1 328 +A PRO 329 2 96.62 1 329 +A HIS 330 2 97.62 1 330 +A VAL 331 2 98.27 1 331 +A VAL 332 2 97.12 1 332 +A ALA 333 2 96.58 1 333 +A LYS 334 2 97.30 1 334 +A ILE 335 2 96.40 1 335 +A HIS 336 2 92.71 1 336 +A GLN 337 2 93.53 1 337 +A GLU 338 2 93.75 1 338 +A ILE 339 2 90.39 1 339 +A ASN 340 2 86.43 1 340 +A ILE 341 2 85.21 1 341 +A ASN 342 2 78.39 1 342 +A THR 343 2 66.52 1 343 +A ASP 344 2 53.01 1 344 +A LEU 345 2 44.15 1 345 +A SER 346 2 44.21 1 346 +A ARG 347 2 45.86 1 347 +A THR 348 2 45.04 1 348 +A GLY 349 2 48.49 1 349 +A ASN 350 2 58.48 1 350 +A SER 351 2 64.68 1 351 +A GLN 352 2 62.83 1 352 +A GLU 353 2 65.27 1 353 +A ASN 354 2 73.31 1 354 +A VAL 355 2 80.89 1 355 +A ASP 356 2 82.94 1 356 +A LYS 357 2 87.21 1 357 +A LEU 358 2 94.17 1 358 +A VAL 359 2 95.51 1 359 +A TYR 360 2 97.74 1 360 +A LEU 361 2 97.95 1 361 +A HIS 362 2 97.78 1 362 +A GLY 363 2 98.18 1 363 +A ALA 364 2 98.71 1 364 +A LEU 365 2 98.68 1 365 +A CYS 366 2 98.55 1 366 +A GLU 367 2 98.70 1 367 +A ALA 368 2 98.79 1 368 +A MET 369 2 98.62 1 369 +A ARG 370 2 98.37 1 370 +A LEU 371 2 98.30 1 371 +A TYR 372 2 98.29 1 372 +A PRO 373 2 98.26 1 373 +A PRO 374 2 98.24 1 374 +A VAL 375 2 97.10 1 375 +A SER 376 2 95.22 1 376 +A PHE 377 2 96.05 1 377 +A GLY 378 2 96.01 1 378 +A ARG 379 2 96.10 1 379 +A LYS 380 2 97.42 1 380 +A SER 381 2 97.38 1 381 +A PRO 382 2 97.79 1 382 +A ILE 383 2 97.70 1 383 +A LYS 384 2 97.75 1 384 +A SER 385 2 98.12 1 385 +A ASP 386 2 98.21 1 386 +A VAL 387 2 98.25 1 387 +A LEU 388 2 98.32 1 388 +A PRO 389 2 98.17 1 389 +A SER 390 2 96.68 1 390 +A GLY 391 2 97.30 1 391 +A HIS 392 2 97.79 1 392 +A LYS 393 2 97.14 1 393 +A VAL 394 2 97.06 1 394 +A ASP 395 2 96.00 1 395 +A ALA 396 2 96.02 1 396 +A ASN 397 2 93.37 1 397 +A SER 398 2 94.61 1 398 +A LYS 399 2 95.94 1 399 +A ILE 400 2 97.91 1 400 +A ILE 401 2 97.66 1 401 +A ILE 402 2 98.27 1 402 +A CYS 403 2 97.98 1 403 +A LEU 404 2 98.28 1 404 +A TYR 405 2 97.88 1 405 +A ALA 406 2 98.16 1 406 +A LEU 407 2 98.39 1 407 +A GLY 408 2 97.72 1 408 +A ARG 409 2 97.68 1 409 +A MET 410 2 97.95 1 410 +A ARG 411 2 97.71 1 411 +A ALA 412 2 96.95 1 412 +A VAL 413 2 97.55 1 413 +A TRP 414 2 97.57 1 414 +A GLY 415 2 97.04 1 415 +A GLU 416 2 97.42 1 416 +A ASP 417 2 97.54 1 417 +A ALA 418 2 97.51 1 418 +A SER 419 2 96.07 1 419 +A GLN 420 2 97.83 1 420 +A PHE 421 2 98.50 1 421 +A LYS 422 2 98.05 1 422 +A PRO 423 2 98.32 1 423 +A GLU 424 2 97.67 1 424 +A ARG 425 2 97.17 1 425 +A TRP 426 2 97.85 1 426 +A ILE 427 2 97.53 1 427 +A SER 428 2 96.01 1 428 +A GLU 429 2 93.65 1 429 +A ASN 430 2 93.89 1 430 +A GLY 431 2 91.20 1 431 +A GLY 432 2 94.11 1 432 +A ILE 433 2 94.70 1 433 +A LYS 434 2 95.62 1 434 +A HIS 435 2 92.84 1 435 +A GLU 436 2 94.25 1 436 +A PRO 437 2 95.37 1 437 +A SER 438 2 93.91 1 438 +A PHE 439 2 95.47 1 439 +A LYS 440 2 96.45 1 440 +A PHE 441 2 97.31 1 441 +A LEU 442 2 96.94 1 442 +A SER 443 2 97.60 1 443 +A PHE 444 2 97.63 1 444 +A ASN 445 2 96.49 1 445 +A ALA 446 2 96.33 1 446 +A GLY 447 2 95.62 1 447 +A PRO 448 2 95.88 1 448 +A ARG 449 2 95.67 1 449 +A THR 450 2 96.74 1 450 +A CYS 451 2 97.59 1 451 +A LEU 452 2 95.82 1 452 +A GLY 453 2 95.34 1 453 +A LYS 454 2 95.90 1 454 +A HIS 455 2 93.13 1 455 +A LEU 456 2 93.39 1 456 +A ALA 457 2 96.36 1 457 +A MET 458 2 95.92 1 458 +A THR 459 2 93.52 1 459 +A GLN 460 2 93.57 1 460 +A MET 461 2 97.60 1 461 +A LYS 462 2 95.86 1 462 +A ILE 463 2 93.88 1 463 +A VAL 464 2 95.75 1 464 +A ALA 465 2 96.49 1 465 +A VAL 466 2 93.98 1 466 +A GLU 467 2 93.10 1 467 +A ILE 468 2 95.54 1 468 +A LEU 469 2 94.73 1 469 +A ARG 470 2 91.45 1 470 +A ASN 471 2 93.22 1 471 +A TYR 472 2 95.53 1 472 +A ASP 473 2 94.66 1 473 +A ILE 474 2 94.72 1 474 +A LYS 475 2 95.38 1 475 +A VAL 476 2 95.99 1 476 +A LEU 477 2 94.19 1 477 +A GLN 478 2 90.73 1 478 +A GLY 479 2 90.60 1 479 +A GLN 480 2 92.18 1 480 +A LYS 481 2 93.92 1 481 +A ILE 482 2 95.98 1 482 +A VAL 483 2 95.49 1 483 +A PRO 484 2 95.46 1 484 +A ALA 485 2 93.81 1 485 +A LEU 486 2 92.00 1 486 +A GLY 487 2 93.00 1 487 +A PHE 488 2 93.66 1 488 +A ILE 489 2 95.55 1 489 +A LEU 490 2 95.90 1 490 +A SER 491 2 95.63 1 491 +A MET 492 2 96.06 1 492 +A LYS 493 2 94.38 1 493 +A HIS 494 2 95.10 1 494 +A GLY 495 2 95.30 1 495 +A LEU 496 2 97.49 1 496 +A GLN 497 2 97.61 1 497 +A ILE 498 2 97.30 1 498 +A THR 499 2 97.04 1 499 +A VAL 500 2 96.15 1 500 +A THR 501 2 96.07 1 501 +A LYS 502 2 94.09 1 502 +A ARG 503 2 88.20 1 503 +A CYS 504 2 73.10 1 504 +A SER 505 2 58.06 1 505 +A ALA 506 2 42.49 1 506 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +_ma_target_entity.data_id 1 +_ma_target_entity.entity_id 1 +_ma_target_entity.origin "reference database" +# +_ma_target_entity_instance.asym_id A +_ma_target_entity_instance.details . +_ma_target_entity_instance.entity_id 1 +# +_ma_target_ref_db_details.db_accession O49373 +_ma_target_ref_db_details.db_code O49373_ARATH +_ma_target_ref_db_details.db_name UNP +_ma_target_ref_db_details.gene_name "''cytochrome P450" +_ma_target_ref_db_details.ncbi_taxonomy_id 3702 +_ma_target_ref_db_details.organism_scientific "Arabidopsis thaliana" +_ma_target_ref_db_details.seq_db_align_begin 1 +_ma_target_ref_db_details.seq_db_align_end 506 +_ma_target_ref_db_details.seq_db_isoform ? +_ma_target_ref_db_details.seq_db_sequence_checksum 730E120A45C88888 +_ma_target_ref_db_details.seq_db_sequence_version_date 1998-06-01 +_ma_target_ref_db_details.target_entity_id 1 +# +loop_ +_ma_template_details.ordinal_id +_ma_template_details.target_asym_id +_ma_template_details.template_auth_asym_id +_ma_template_details.template_data_id +_ma_template_details.template_entity_type +_ma_template_details.template_id +_ma_template_details.template_model_num +_ma_template_details.template_origin +_ma_template_details.template_trans_matrix_id +1 A A 2 polymer 1 1 "reference database" 1 +2 A A 2 polymer 2 1 "reference database" 1 +3 A A 2 polymer 3 1 "reference database" 1 +4 A B 2 polymer 4 1 "reference database" 1 +# +loop_ +_ma_template_ref_db_details.db_accession_code +_ma_template_ref_db_details.db_name +_ma_template_ref_db_details.template_id +4LXJ PDB 1 +5ESH PDB 2 +5UL0 PDB 3 +6CR2 PDB 4 +# +_ma_template_trans_matrix.id 1 +_ma_template_trans_matrix.rot_matrix[1][1] 1.0 +_ma_template_trans_matrix.rot_matrix[1][2] 0.0 +_ma_template_trans_matrix.rot_matrix[1][3] 0.0 +_ma_template_trans_matrix.rot_matrix[2][1] 0.0 +_ma_template_trans_matrix.rot_matrix[2][2] 1.0 +_ma_template_trans_matrix.rot_matrix[2][3] 0.0 +_ma_template_trans_matrix.rot_matrix[3][1] 0.0 +_ma_template_trans_matrix.rot_matrix[3][2] 0.0 +_ma_template_trans_matrix.rot_matrix[3][3] 1.0 +_ma_template_trans_matrix.tr_vector[1] 0.0 +_ma_template_trans_matrix.tr_vector[2] 0.0 +_ma_template_trans_matrix.tr_vector[3] 0.0 +# +loop_ +_pdbx_audit_revision_details.data_content_type +_pdbx_audit_revision_details.description +_pdbx_audit_revision_details.ordinal +_pdbx_audit_revision_details.provider +_pdbx_audit_revision_details.revision_ordinal +_pdbx_audit_revision_details.type +"Structure model" ? 1 repository 1 "Initial release" +"Structure model" "Format fixes, new metadata, initial SwissProt release" 2 repository 2 Remediation +"Structure model" "Format fixes, new metadata, initial UniProt release" 3 repository 3 Remediation +"Structure model" "Improved prediction accuracy, small format fixes" 4 repository 4 Remediation +# +loop_ +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.revision_date +"Structure model" 1 0 1 2021-07-01 +"Structure model" 2 0 2 2021-12-09 +"Structure model" 3 0 3 2022-06-01 +"Structure model" 4 0 4 2022-09-30 +# +loop_ +_pdbx_data_usage.details +_pdbx_data_usage.id +_pdbx_data_usage.name +_pdbx_data_usage.type +_pdbx_data_usage.url +"Data in this file is available under a CC-BY-4.0 license." 1 CC-BY-4.0 license https://creativecommons.org/licenses/by/4.0/ +;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION +PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS +USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED +OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE +THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE +A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES +NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +; +2 ? disclaimer ? +# +_pdbx_database_status.entry_id AF-O49373-F1 +_pdbx_database_status.recvd_initial_deposition_date 2022-06-01 +_pdbx_database_status.status_code REL +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.hetero +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.seq_id +A 1 1 n MET . MET 1 A 1 +A 2 1 n ALA . ALA 2 A 2 +A 3 1 n SER . SER 3 A 3 +A 4 1 n ILE . ILE 4 A 4 +A 5 1 n SER . SER 5 A 5 +A 6 1 n LEU . LEU 6 A 6 +A 7 1 n LEU . LEU 7 A 7 +A 8 1 n GLN . GLN 8 A 8 +A 9 1 n VAL . VAL 9 A 9 +A 10 1 n SER . SER 10 A 10 +A 11 1 n VAL . VAL 11 A 11 +A 12 1 n ALA . ALA 12 A 12 +A 13 1 n ILE . ILE 13 A 13 +A 14 1 n LEU . LEU 14 A 14 +A 15 1 n CYS . CYS 15 A 15 +A 16 1 n PHE . PHE 16 A 16 +A 17 1 n LEU . LEU 17 A 17 +A 18 1 n ILE . ILE 18 A 18 +A 19 1 n LEU . LEU 19 A 19 +A 20 1 n HIS . HIS 20 A 20 +A 21 1 n TYR . TYR 21 A 21 +A 22 1 n PHE . PHE 22 A 22 +A 23 1 n LEU . LEU 23 A 23 +A 24 1 n PHE . PHE 24 A 24 +A 25 1 n LYS . LYS 25 A 25 +A 26 1 n LYS . LYS 26 A 26 +A 27 1 n PRO . PRO 27 A 27 +A 28 1 n HIS . HIS 28 A 28 +A 29 1 n GLY . GLY 29 A 29 +A 30 1 n ARG . ARG 30 A 30 +A 31 1 n TYR . TYR 31 A 31 +A 32 1 n PRO . PRO 32 A 32 +A 33 1 n ARG . ARG 33 A 33 +A 34 1 n ASN . ASN 34 A 34 +A 35 1 n TRP . TRP 35 A 35 +A 36 1 n PRO . PRO 36 A 36 +A 37 1 n VAL . VAL 37 A 37 +A 38 1 n LEU . LEU 38 A 38 +A 39 1 n ARG . ARG 39 A 39 +A 40 1 n MET . MET 40 A 40 +A 41 1 n LEU . LEU 41 A 41 +A 42 1 n PRO . PRO 42 A 42 +A 43 1 n ALA . ALA 43 A 43 +A 44 1 n MET . MET 44 A 44 +A 45 1 n LEU . LEU 45 A 45 +A 46 1 n LYS . LYS 46 A 46 +A 47 1 n ALA . ALA 47 A 47 +A 48 1 n LEU . LEU 48 A 48 +A 49 1 n HIS . HIS 49 A 49 +A 50 1 n ARG . ARG 50 A 50 +A 51 1 n ILE . ILE 51 A 51 +A 52 1 n TYR . TYR 52 A 52 +A 53 1 n ASP . ASP 53 A 53 +A 54 1 n TYR . TYR 54 A 54 +A 55 1 n SER . SER 55 A 55 +A 56 1 n VAL . VAL 56 A 56 +A 57 1 n LYS . LYS 57 A 57 +A 58 1 n ILE . ILE 58 A 58 +A 59 1 n LEU . LEU 59 A 59 +A 60 1 n GLU . GLU 60 A 60 +A 61 1 n THR . THR 61 A 61 +A 62 1 n SER . SER 62 A 62 +A 63 1 n ASP . ASP 63 A 63 +A 64 1 n LEU . LEU 64 A 64 +A 65 1 n THR . THR 65 A 65 +A 66 1 n PHE . PHE 66 A 66 +A 67 1 n PRO . PRO 67 A 67 +A 68 1 n PHE . PHE 68 A 68 +A 69 1 n LYS . LYS 69 A 69 +A 70 1 n GLY . GLY 70 A 70 +A 71 1 n PRO . PRO 71 A 71 +A 72 1 n ARG . ARG 72 A 72 +A 73 1 n PHE . PHE 73 A 73 +A 74 1 n THR . THR 74 A 74 +A 75 1 n GLY . GLY 75 A 75 +A 76 1 n MET . MET 76 A 76 +A 77 1 n ASP . ASP 77 A 77 +A 78 1 n MET . MET 78 A 78 +A 79 1 n LEU . LEU 79 A 79 +A 80 1 n LEU . LEU 80 A 80 +A 81 1 n THR . THR 81 A 81 +A 82 1 n VAL . VAL 82 A 82 +A 83 1 n ASP . ASP 83 A 83 +A 84 1 n PRO . PRO 84 A 84 +A 85 1 n ALA . ALA 85 A 85 +A 86 1 n ASN . ASN 86 A 86 +A 87 1 n ILE . ILE 87 A 87 +A 88 1 n HIS . HIS 88 A 88 +A 89 1 n HIS . HIS 89 A 89 +A 90 1 n ILE . ILE 90 A 90 +A 91 1 n MET . MET 91 A 91 +A 92 1 n SER . SER 92 A 92 +A 93 1 n SER . SER 93 A 93 +A 94 1 n ASN . ASN 94 A 94 +A 95 1 n PHE . PHE 95 A 95 +A 96 1 n SER . SER 96 A 96 +A 97 1 n ASN . ASN 97 A 97 +A 98 1 n TYR . TYR 98 A 98 +A 99 1 n ILE . ILE 99 A 99 +A 100 1 n LYS . LYS 100 A 100 +A 101 1 n GLY . GLY 101 A 101 +A 102 1 n PRO . PRO 102 A 102 +A 103 1 n GLU . GLU 103 A 103 +A 104 1 n PHE . PHE 104 A 104 +A 105 1 n GLN . GLN 105 A 105 +A 106 1 n ASP . ASP 106 A 106 +A 107 1 n VAL . VAL 107 A 107 +A 108 1 n PHE . PHE 108 A 108 +A 109 1 n ASP . ASP 109 A 109 +A 110 1 n VAL . VAL 110 A 110 +A 111 1 n LEU . LEU 111 A 111 +A 112 1 n GLY . GLY 112 A 112 +A 113 1 n ASP . ASP 113 A 113 +A 114 1 n SER . SER 114 A 114 +A 115 1 n PHE . PHE 115 A 115 +A 116 1 n ILE . ILE 116 A 116 +A 117 1 n THR . THR 117 A 117 +A 118 1 n THR . THR 118 A 118 +A 119 1 n ASP . ASP 119 A 119 +A 120 1 n SER . SER 120 A 120 +A 121 1 n GLU . GLU 121 A 121 +A 122 1 n LEU . LEU 122 A 122 +A 123 1 n TRP . TRP 123 A 123 +A 124 1 n LYS . LYS 124 A 124 +A 125 1 n ASN . ASN 125 A 125 +A 126 1 n MET . MET 126 A 126 +A 127 1 n ARG . ARG 127 A 127 +A 128 1 n LYS . LYS 128 A 128 +A 129 1 n SER . SER 129 A 129 +A 130 1 n TYR . TYR 130 A 130 +A 131 1 n GLN . GLN 131 A 131 +A 132 1 n ALA . ALA 132 A 132 +A 133 1 n MET . MET 133 A 133 +A 134 1 n LEU . LEU 134 A 134 +A 135 1 n HIS . HIS 135 A 135 +A 136 1 n SER . SER 136 A 136 +A 137 1 n GLN . GLN 137 A 137 +A 138 1 n GLU . GLU 138 A 138 +A 139 1 n PHE . PHE 139 A 139 +A 140 1 n GLN . GLN 140 A 140 +A 141 1 n ARG . ARG 141 A 141 +A 142 1 n PHE . PHE 142 A 142 +A 143 1 n SER . SER 143 A 143 +A 144 1 n MET . MET 144 A 144 +A 145 1 n SER . SER 145 A 145 +A 146 1 n THR . THR 146 A 146 +A 147 1 n MET . MET 147 A 147 +A 148 1 n THR . THR 148 A 148 +A 149 1 n SER . SER 149 A 149 +A 150 1 n LYS . LYS 150 A 150 +A 151 1 n LEU . LEU 151 A 151 +A 152 1 n LYS . LYS 152 A 152 +A 153 1 n TYR . TYR 153 A 153 +A 154 1 n GLY . GLY 154 A 154 +A 155 1 n LEU . LEU 155 A 155 +A 156 1 n VAL . VAL 156 A 156 +A 157 1 n PRO . PRO 157 A 157 +A 158 1 n LEU . LEU 158 A 158 +A 159 1 n LEU . LEU 159 A 159 +A 160 1 n ASN . ASN 160 A 160 +A 161 1 n HIS . HIS 161 A 161 +A 162 1 n PHE . PHE 162 A 162 +A 163 1 n ALA . ALA 163 A 163 +A 164 1 n GLU . GLU 164 A 164 +A 165 1 n GLU . GLU 165 A 165 +A 166 1 n GLY . GLY 166 A 166 +A 167 1 n THR . THR 167 A 167 +A 168 1 n THR . THR 168 A 168 +A 169 1 n LEU . LEU 169 A 169 +A 170 1 n ASP . ASP 170 A 170 +A 171 1 n LEU . LEU 171 A 171 +A 172 1 n GLN . GLN 172 A 172 +A 173 1 n SER . SER 173 A 173 +A 174 1 n VAL . VAL 174 A 174 +A 175 1 n PHE . PHE 175 A 175 +A 176 1 n GLY . GLY 176 A 176 +A 177 1 n ARG . ARG 177 A 177 +A 178 1 n PHE . PHE 178 A 178 +A 179 1 n THR . THR 179 A 179 +A 180 1 n PHE . PHE 180 A 180 +A 181 1 n ASP . ASP 181 A 181 +A 182 1 n THR . THR 182 A 182 +A 183 1 n ILE . ILE 183 A 183 +A 184 1 n PHE . PHE 184 A 184 +A 185 1 n ILE . ILE 185 A 185 +A 186 1 n LEU . LEU 186 A 186 +A 187 1 n VAL . VAL 187 A 187 +A 188 1 n THR . THR 188 A 188 +A 189 1 n GLY . GLY 189 A 189 +A 190 1 n SER . SER 190 A 190 +A 191 1 n ASP . ASP 191 A 191 +A 192 1 n PRO . PRO 192 A 192 +A 193 1 n ARG . ARG 193 A 193 +A 194 1 n SER . SER 194 A 194 +A 195 1 n LEU . LEU 195 A 195 +A 196 1 n SER . SER 196 A 196 +A 197 1 n ILE . ILE 197 A 197 +A 198 1 n GLU . GLU 198 A 198 +A 199 1 n MET . MET 199 A 199 +A 200 1 n PRO . PRO 200 A 200 +A 201 1 n GLU . GLU 201 A 201 +A 202 1 n ASP . ASP 202 A 202 +A 203 1 n GLU . GLU 203 A 203 +A 204 1 n PHE . PHE 204 A 204 +A 205 1 n ALA . ALA 205 A 205 +A 206 1 n LYS . LYS 206 A 206 +A 207 1 n ALA . ALA 207 A 207 +A 208 1 n LEU . LEU 208 A 208 +A 209 1 n ASP . ASP 209 A 209 +A 210 1 n ASP . ASP 210 A 210 +A 211 1 n VAL . VAL 211 A 211 +A 212 1 n GLY . GLY 212 A 212 +A 213 1 n GLU . GLU 213 A 213 +A 214 1 n GLY . GLY 214 A 214 +A 215 1 n ILE . ILE 215 A 215 +A 216 1 n LEU . LEU 216 A 216 +A 217 1 n TYR . TYR 217 A 217 +A 218 1 n ARG . ARG 218 A 218 +A 219 1 n HIS . HIS 219 A 219 +A 220 1 n PHE . PHE 220 A 220 +A 221 1 n LYS . LYS 221 A 221 +A 222 1 n PRO . PRO 222 A 222 +A 223 1 n ARG . ARG 223 A 223 +A 224 1 n PHE . PHE 224 A 224 +A 225 1 n LEU . LEU 225 A 225 +A 226 1 n TRP . TRP 226 A 226 +A 227 1 n LYS . LYS 227 A 227 +A 228 1 n LEU . LEU 228 A 228 +A 229 1 n GLN . GLN 229 A 229 +A 230 1 n ASN . ASN 230 A 230 +A 231 1 n TRP . TRP 231 A 231 +A 232 1 n ILE . ILE 232 A 232 +A 233 1 n GLY . GLY 233 A 233 +A 234 1 n PHE . PHE 234 A 234 +A 235 1 n GLY . GLY 235 A 235 +A 236 1 n GLN . GLN 236 A 236 +A 237 1 n GLU . GLU 237 A 237 +A 238 1 n LYS . LYS 238 A 238 +A 239 1 n LYS . LYS 239 A 239 +A 240 1 n LEU . LEU 240 A 240 +A 241 1 n THR . THR 241 A 241 +A 242 1 n GLU . GLU 242 A 242 +A 243 1 n ALA . ALA 243 A 243 +A 244 1 n ASN . ASN 244 A 244 +A 245 1 n ALA . ALA 245 A 245 +A 246 1 n THR . THR 246 A 246 +A 247 1 n PHE . PHE 247 A 247 +A 248 1 n ASP . ASP 248 A 248 +A 249 1 n ARG . ARG 249 A 249 +A 250 1 n VAL . VAL 250 A 250 +A 251 1 n CYS . CYS 251 A 251 +A 252 1 n ALA . ALA 252 A 252 +A 253 1 n LYS . LYS 253 A 253 +A 254 1 n TYR . TYR 254 A 254 +A 255 1 n ILE . ILE 255 A 255 +A 256 1 n SER . SER 256 A 256 +A 257 1 n ALA . ALA 257 A 257 +A 258 1 n LYS . LYS 258 A 258 +A 259 1 n ARG . ARG 259 A 259 +A 260 1 n GLU . GLU 260 A 260 +A 261 1 n GLU . GLU 261 A 261 +A 262 1 n ILE . ILE 262 A 262 +A 263 1 n LYS . LYS 263 A 263 +A 264 1 n ARG . ARG 264 A 264 +A 265 1 n SER . SER 265 A 265 +A 266 1 n GLN . GLN 266 A 266 +A 267 1 n GLY . GLY 267 A 267 +A 268 1 n THR . THR 268 A 268 +A 269 1 n SER . SER 269 A 269 +A 270 1 n ASN . ASN 270 A 270 +A 271 1 n GLY . GLY 271 A 271 +A 272 1 n GLY . GLY 272 A 272 +A 273 1 n SER . SER 273 A 273 +A 274 1 n GLN . GLN 274 A 274 +A 275 1 n ASP . ASP 275 A 275 +A 276 1 n LEU . LEU 276 A 276 +A 277 1 n LEU . LEU 277 A 277 +A 278 1 n THR . THR 278 A 278 +A 279 1 n SER . SER 279 A 279 +A 280 1 n PHE . PHE 280 A 280 +A 281 1 n ILE . ILE 281 A 281 +A 282 1 n LYS . LYS 282 A 282 +A 283 1 n LEU . LEU 283 A 283 +A 284 1 n ASP . ASP 284 A 284 +A 285 1 n THR . THR 285 A 285 +A 286 1 n THR . THR 286 A 286 +A 287 1 n LYS . LYS 287 A 287 +A 288 1 n TYR . TYR 288 A 288 +A 289 1 n LYS . LYS 289 A 289 +A 290 1 n LEU . LEU 290 A 290 +A 291 1 n LEU . LEU 291 A 291 +A 292 1 n ASN . ASN 292 A 292 +A 293 1 n PRO . PRO 293 A 293 +A 294 1 n SER . SER 294 A 294 +A 295 1 n ASP . ASP 295 A 295 +A 296 1 n ASP . ASP 296 A 296 +A 297 1 n LYS . LYS 297 A 297 +A 298 1 n PHE . PHE 298 A 298 +A 299 1 n LEU . LEU 299 A 299 +A 300 1 n ARG . ARG 300 A 300 +A 301 1 n ASP . ASP 301 A 301 +A 302 1 n ASN . ASN 302 A 302 +A 303 1 n ILE . ILE 303 A 303 +A 304 1 n LEU . LEU 304 A 304 +A 305 1 n ALA . ALA 305 A 305 +A 306 1 n PHE . PHE 306 A 306 +A 307 1 n ILE . ILE 307 A 307 +A 308 1 n LEU . LEU 308 A 308 +A 309 1 n ALA . ALA 309 A 309 +A 310 1 n GLY . GLY 310 A 310 +A 311 1 n ARG . ARG 311 A 311 +A 312 1 n ASP . ASP 312 A 312 +A 313 1 n THR . THR 313 A 313 +A 314 1 n THR . THR 314 A 314 +A 315 1 n ALA . ALA 315 A 315 +A 316 1 n THR . THR 316 A 316 +A 317 1 n ALA . ALA 317 A 317 +A 318 1 n LEU . LEU 318 A 318 +A 319 1 n SER . SER 319 A 319 +A 320 1 n TRP . TRP 320 A 320 +A 321 1 n PHE . PHE 321 A 321 +A 322 1 n PHE . PHE 322 A 322 +A 323 1 n TRP . TRP 323 A 323 +A 324 1 n LEU . LEU 324 A 324 +A 325 1 n LEU . LEU 325 A 325 +A 326 1 n SER . SER 326 A 326 +A 327 1 n GLU . GLU 327 A 327 +A 328 1 n ASN . ASN 328 A 328 +A 329 1 n PRO . PRO 329 A 329 +A 330 1 n HIS . HIS 330 A 330 +A 331 1 n VAL . VAL 331 A 331 +A 332 1 n VAL . VAL 332 A 332 +A 333 1 n ALA . ALA 333 A 333 +A 334 1 n LYS . LYS 334 A 334 +A 335 1 n ILE . ILE 335 A 335 +A 336 1 n HIS . HIS 336 A 336 +A 337 1 n GLN . GLN 337 A 337 +A 338 1 n GLU . GLU 338 A 338 +A 339 1 n ILE . ILE 339 A 339 +A 340 1 n ASN . ASN 340 A 340 +A 341 1 n ILE . ILE 341 A 341 +A 342 1 n ASN . ASN 342 A 342 +A 343 1 n THR . THR 343 A 343 +A 344 1 n ASP . ASP 344 A 344 +A 345 1 n LEU . LEU 345 A 345 +A 346 1 n SER . SER 346 A 346 +A 347 1 n ARG . ARG 347 A 347 +A 348 1 n THR . THR 348 A 348 +A 349 1 n GLY . GLY 349 A 349 +A 350 1 n ASN . ASN 350 A 350 +A 351 1 n SER . SER 351 A 351 +A 352 1 n GLN . GLN 352 A 352 +A 353 1 n GLU . GLU 353 A 353 +A 354 1 n ASN . ASN 354 A 354 +A 355 1 n VAL . VAL 355 A 355 +A 356 1 n ASP . ASP 356 A 356 +A 357 1 n LYS . LYS 357 A 357 +A 358 1 n LEU . LEU 358 A 358 +A 359 1 n VAL . VAL 359 A 359 +A 360 1 n TYR . TYR 360 A 360 +A 361 1 n LEU . LEU 361 A 361 +A 362 1 n HIS . HIS 362 A 362 +A 363 1 n GLY . GLY 363 A 363 +A 364 1 n ALA . ALA 364 A 364 +A 365 1 n LEU . LEU 365 A 365 +A 366 1 n CYS . CYS 366 A 366 +A 367 1 n GLU . GLU 367 A 367 +A 368 1 n ALA . ALA 368 A 368 +A 369 1 n MET . MET 369 A 369 +A 370 1 n ARG . ARG 370 A 370 +A 371 1 n LEU . LEU 371 A 371 +A 372 1 n TYR . TYR 372 A 372 +A 373 1 n PRO . PRO 373 A 373 +A 374 1 n PRO . PRO 374 A 374 +A 375 1 n VAL . VAL 375 A 375 +A 376 1 n SER . SER 376 A 376 +A 377 1 n PHE . PHE 377 A 377 +A 378 1 n GLY . GLY 378 A 378 +A 379 1 n ARG . ARG 379 A 379 +A 380 1 n LYS . LYS 380 A 380 +A 381 1 n SER . SER 381 A 381 +A 382 1 n PRO . PRO 382 A 382 +A 383 1 n ILE . ILE 383 A 383 +A 384 1 n LYS . LYS 384 A 384 +A 385 1 n SER . SER 385 A 385 +A 386 1 n ASP . ASP 386 A 386 +A 387 1 n VAL . VAL 387 A 387 +A 388 1 n LEU . LEU 388 A 388 +A 389 1 n PRO . PRO 389 A 389 +A 390 1 n SER . SER 390 A 390 +A 391 1 n GLY . GLY 391 A 391 +A 392 1 n HIS . HIS 392 A 392 +A 393 1 n LYS . LYS 393 A 393 +A 394 1 n VAL . VAL 394 A 394 +A 395 1 n ASP . ASP 395 A 395 +A 396 1 n ALA . ALA 396 A 396 +A 397 1 n ASN . ASN 397 A 397 +A 398 1 n SER . SER 398 A 398 +A 399 1 n LYS . LYS 399 A 399 +A 400 1 n ILE . ILE 400 A 400 +A 401 1 n ILE . ILE 401 A 401 +A 402 1 n ILE . ILE 402 A 402 +A 403 1 n CYS . CYS 403 A 403 +A 404 1 n LEU . LEU 404 A 404 +A 405 1 n TYR . TYR 405 A 405 +A 406 1 n ALA . ALA 406 A 406 +A 407 1 n LEU . LEU 407 A 407 +A 408 1 n GLY . GLY 408 A 408 +A 409 1 n ARG . ARG 409 A 409 +A 410 1 n MET . MET 410 A 410 +A 411 1 n ARG . ARG 411 A 411 +A 412 1 n ALA . ALA 412 A 412 +A 413 1 n VAL . VAL 413 A 413 +A 414 1 n TRP . TRP 414 A 414 +A 415 1 n GLY . GLY 415 A 415 +A 416 1 n GLU . GLU 416 A 416 +A 417 1 n ASP . ASP 417 A 417 +A 418 1 n ALA . ALA 418 A 418 +A 419 1 n SER . SER 419 A 419 +A 420 1 n GLN . GLN 420 A 420 +A 421 1 n PHE . PHE 421 A 421 +A 422 1 n LYS . LYS 422 A 422 +A 423 1 n PRO . PRO 423 A 423 +A 424 1 n GLU . GLU 424 A 424 +A 425 1 n ARG . ARG 425 A 425 +A 426 1 n TRP . TRP 426 A 426 +A 427 1 n ILE . ILE 427 A 427 +A 428 1 n SER . SER 428 A 428 +A 429 1 n GLU . GLU 429 A 429 +A 430 1 n ASN . ASN 430 A 430 +A 431 1 n GLY . GLY 431 A 431 +A 432 1 n GLY . GLY 432 A 432 +A 433 1 n ILE . ILE 433 A 433 +A 434 1 n LYS . LYS 434 A 434 +A 435 1 n HIS . HIS 435 A 435 +A 436 1 n GLU . GLU 436 A 436 +A 437 1 n PRO . PRO 437 A 437 +A 438 1 n SER . SER 438 A 438 +A 439 1 n PHE . PHE 439 A 439 +A 440 1 n LYS . LYS 440 A 440 +A 441 1 n PHE . PHE 441 A 441 +A 442 1 n LEU . LEU 442 A 442 +A 443 1 n SER . SER 443 A 443 +A 444 1 n PHE . PHE 444 A 444 +A 445 1 n ASN . ASN 445 A 445 +A 446 1 n ALA . ALA 446 A 446 +A 447 1 n GLY . GLY 447 A 447 +A 448 1 n PRO . PRO 448 A 448 +A 449 1 n ARG . ARG 449 A 449 +A 450 1 n THR . THR 450 A 450 +A 451 1 n CYS . CYS 451 A 451 +A 452 1 n LEU . LEU 452 A 452 +A 453 1 n GLY . GLY 453 A 453 +A 454 1 n LYS . LYS 454 A 454 +A 455 1 n HIS . HIS 455 A 455 +A 456 1 n LEU . LEU 456 A 456 +A 457 1 n ALA . ALA 457 A 457 +A 458 1 n MET . MET 458 A 458 +A 459 1 n THR . THR 459 A 459 +A 460 1 n GLN . GLN 460 A 460 +A 461 1 n MET . MET 461 A 461 +A 462 1 n LYS . LYS 462 A 462 +A 463 1 n ILE . ILE 463 A 463 +A 464 1 n VAL . VAL 464 A 464 +A 465 1 n ALA . ALA 465 A 465 +A 466 1 n VAL . VAL 466 A 466 +A 467 1 n GLU . GLU 467 A 467 +A 468 1 n ILE . ILE 468 A 468 +A 469 1 n LEU . LEU 469 A 469 +A 470 1 n ARG . ARG 470 A 470 +A 471 1 n ASN . ASN 471 A 471 +A 472 1 n TYR . TYR 472 A 472 +A 473 1 n ASP . ASP 473 A 473 +A 474 1 n ILE . ILE 474 A 474 +A 475 1 n LYS . LYS 475 A 475 +A 476 1 n VAL . VAL 476 A 476 +A 477 1 n LEU . LEU 477 A 477 +A 478 1 n GLN . GLN 478 A 478 +A 479 1 n GLY . GLY 479 A 479 +A 480 1 n GLN . GLN 480 A 480 +A 481 1 n LYS . LYS 481 A 481 +A 482 1 n ILE . ILE 482 A 482 +A 483 1 n VAL . VAL 483 A 483 +A 484 1 n PRO . PRO 484 A 484 +A 485 1 n ALA . ALA 485 A 485 +A 486 1 n LEU . LEU 486 A 486 +A 487 1 n GLY . GLY 487 A 487 +A 488 1 n PHE . PHE 488 A 488 +A 489 1 n ILE . ILE 489 A 489 +A 490 1 n LEU . LEU 490 A 490 +A 491 1 n SER . SER 491 A 491 +A 492 1 n MET . MET 492 A 492 +A 493 1 n LYS . LYS 493 A 493 +A 494 1 n HIS . HIS 494 A 494 +A 495 1 n GLY . GLY 495 A 495 +A 496 1 n LEU . LEU 496 A 496 +A 497 1 n GLN . GLN 497 A 497 +A 498 1 n ILE . ILE 498 A 498 +A 499 1 n THR . THR 499 A 499 +A 500 1 n VAL . VAL 500 A 500 +A 501 1 n THR . THR 501 A 501 +A 502 1 n LYS . LYS 502 A 502 +A 503 1 n ARG . ARG 503 A 503 +A 504 1 n CYS . CYS 504 A 504 +A 505 1 n SER . SER 505 A 505 +A 506 1 n ALA . ALA 506 A 506 +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.pdbx_ordinal +_software.type +_software.version +other ? "Structure prediction" AlphaFold 1 package v2.0 +other ? "Secondary structure" dssp 2 library 4 +# +_struct_asym.entity_id 1 +_struct_asym.id A +# +loop_ +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.conf_type_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.pdbx_end_PDB_ins_code +A LEU 6 A LEU 6 HELX_RH_AL_P A PHE 24 A PHE 24 HELX_RH_AL_P1 ? ? +A LYS 25 A LYS 25 BEND A LYS 25 A LYS 25 BEND1 ? ? +A LYS 26 A LYS 26 HELX_LH_PP_P A PRO 27 A PRO 27 HELX_LH_PP_P1 ? ? +A HIS 28 A HIS 28 BEND A TYR 31 A TYR 31 BEND2 ? ? +A PRO 32 A PRO 32 HELX_LH_PP_P A ARG 33 A ARG 33 HELX_LH_PP_P2 ? ? +A TRP 35 A TRP 35 STRN A TRP 35 A TRP 35 STRN1 ? ? +A PRO 36 A PRO 36 TURN_TY1_P A LEU 38 A LEU 38 TURN_TY1_P1 ? ? +A ARG 39 A ARG 39 STRN A ARG 39 A ARG 39 STRN2 ? ? +A MET 40 A MET 40 TURN_TY1_P A MET 40 A MET 40 TURN_TY1_P2 ? ? +A LEU 41 A LEU 41 HELX_RH_AL_P A ALA 47 A ALA 47 HELX_RH_AL_P2 ? ? +A LEU 48 A LEU 48 HELX_RH_3T_P A ARG 50 A ARG 50 HELX_RH_3T_P1 ? ? +A ILE 51 A ILE 51 HELX_RH_AL_P A THR 61 A THR 61 HELX_RH_AL_P3 ? ? +A SER 62 A SER 62 TURN_TY1_P A LEU 64 A LEU 64 TURN_TY1_P3 ? ? +A THR 65 A THR 65 STRN A PHE 68 A PHE 68 STRN3 ? ? +A GLY 70 A GLY 70 HELX_LH_PP_P A GLY 70 A GLY 70 HELX_LH_PP_P3 ? ? +A PRO 71 A PRO 71 BEND A PRO 71 A PRO 71 BEND3 ? ? +A ARG 72 A ARG 72 TURN_TY1_P A GLY 75 A GLY 75 TURN_TY1_P4 ? ? +A MET 78 A MET 78 STRN A THR 81 A THR 81 STRN4 ? ? +A PRO 84 A PRO 84 HELX_RH_AL_P A HIS 88 A HIS 88 HELX_RH_AL_P4 ? ? +A HIS 89 A HIS 89 HELX_RH_PI_P A SER 93 A SER 93 HELX_RH_PI_P1 ? ? +A ASN 94 A ASN 94 TURN_TY1_P A ASN 94 A ASN 94 TURN_TY1_P5 ? ? +A PHE 95 A PHE 95 HELX_RH_3T_P A ASN 97 A ASN 97 HELX_RH_3T_P2 ? ? +A TYR 98 A TYR 98 STRN A ILE 99 A ILE 99 STRN5 ? ? +A PRO 102 A PRO 102 HELX_RH_AL_P A VAL 107 A VAL 107 HELX_RH_AL_P5 ? ? +A PHE 108 A PHE 108 BEND A PHE 108 A PHE 108 BEND4 ? ? +A ASP 109 A ASP 109 HELX_RH_3T_P A LEU 111 A LEU 111 HELX_RH_3T_P3 ? ? +A GLY 112 A GLY 112 TURN_TY1_P A ASP 113 A ASP 113 TURN_TY1_P6 ? ? +A PHE 115 A PHE 115 TURN_TY1_P A THR 117 A THR 117 TURN_TY1_P7 ? ? +A SER 120 A SER 120 HELX_RH_AL_P A LEU 134 A LEU 134 HELX_RH_AL_P6 ? ? +A HIS 135 A HIS 135 TURN_TY1_P A HIS 135 A HIS 135 TURN_TY1_P8 ? ? +A SER 136 A SER 136 BEND A SER 136 A SER 136 BEND5 ? ? +A GLN 137 A GLN 137 HELX_RH_AL_P A LYS 150 A LYS 150 HELX_RH_AL_P7 ? ? +A LEU 151 A LEU 151 HELX_RH_PI_P A LEU 155 A LEU 155 HELX_RH_PI_P2 ? ? +A VAL 156 A VAL 156 HELX_RH_AL_P A GLU 165 A GLU 165 HELX_RH_AL_P8 ? ? +A GLY 166 A GLY 166 TURN_TY1_P A GLY 166 A GLY 166 TURN_TY1_P9 ? ? +A THR 168 A THR 168 STRN A ASP 170 A ASP 170 STRN6 ? ? +A LEU 171 A LEU 171 HELX_RH_AL_P A THR 188 A THR 188 HELX_RH_AL_P9 ? ? +A GLY 189 A GLY 189 BEND A GLY 189 A GLY 189 BEND6 ? ? +A SER 196 A SER 196 BEND A SER 196 A SER 196 BEND7 ? ? +A ILE 197 A ILE 197 TURN_TY1_P A GLU 198 A GLU 198 TURN_TY1_P10 ? ? +A GLU 203 A GLU 203 HELX_RH_AL_P A HIS 219 A HIS 219 HELX_RH_AL_P10 ? ? +A PHE 220 A PHE 220 TURN_TY1_P A PHE 220 A PHE 220 TURN_TY1_P11 ? ? +A LYS 221 A LYS 221 BEND A LYS 221 A LYS 221 BEND8 ? ? +A ARG 223 A ARG 223 HELX_RH_AL_P A ILE 232 A ILE 232 HELX_RH_AL_P11 ? ? +A GLY 233 A GLY 233 TURN_TY1_P A GLY 233 A GLY 233 TURN_TY1_P12 ? ? +A GLY 235 A GLY 235 TURN_TY1_P A GLY 235 A GLY 235 TURN_TY1_P13 ? ? +A GLN 236 A GLN 236 HELX_RH_AL_P A SER 265 A SER 265 HELX_RH_AL_P12 ? ? +A GLN 266 A GLN 266 TURN_TY1_P A GLY 267 A GLY 267 TURN_TY1_P14 ? ? +A ASN 270 A ASN 270 BEND A ASN 270 A ASN 270 BEND9 ? ? +A ASP 275 A ASP 275 BEND A ASP 275 A ASP 275 BEND10 ? ? +A LEU 276 A LEU 276 HELX_RH_AL_P A ILE 281 A ILE 281 HELX_RH_AL_P13 ? ? +A LYS 282 A LYS 282 TURN_TY1_P A LYS 282 A LYS 282 TURN_TY1_P15 ? ? +A THR 285 A THR 285 TURN_TY1_P A LYS 287 A LYS 287 TURN_TY1_P16 ? ? +A TYR 288 A TYR 288 BEND A TYR 288 A TYR 288 BEND11 ? ? +A LYS 289 A LYS 289 TURN_TY1_P A LEU 290 A LEU 290 TURN_TY1_P17 ? ? +A PRO 293 A PRO 293 TURN_TY1_P A SER 294 A SER 294 TURN_TY1_P18 ? ? +A ASP 296 A ASP 296 HELX_RH_AL_P A SER 326 A SER 326 HELX_RH_AL_P14 ? ? +A GLU 327 A GLU 327 TURN_TY1_P A GLU 327 A GLU 327 TURN_TY1_P19 ? ? +A PRO 329 A PRO 329 HELX_RH_AL_P A THR 343 A THR 343 HELX_RH_AL_P15 ? ? +A ASP 344 A ASP 344 TURN_TY1_P A LEU 345 A LEU 345 TURN_TY1_P20 ? ? +A ARG 347 A ARG 347 BEND A GLY 349 A GLY 349 BEND12 ? ? +A SER 351 A SER 351 HELX_RH_AL_P A ASP 356 A ASP 356 HELX_RH_AL_P16 ? ? +A LYS 357 A LYS 357 TURN_TY1_P A LYS 357 A LYS 357 TURN_TY1_P21 ? ? +A VAL 359 A VAL 359 HELX_RH_AL_P A LEU 371 A LEU 371 HELX_RH_AL_P17 ? ? +A TYR 372 A TYR 372 BEND A TYR 372 A TYR 372 BEND13 ? ? +A PRO 374 A PRO 374 BEND A PRO 374 A PRO 374 BEND14 ? ? +A VAL 375 A VAL 375 STRN A VAL 375 A VAL 375 STRN7 ? ? +A GLY 378 A GLY 378 STRN A PRO 382 A PRO 382 STRN8 ? ? +A ILE 383 A ILE 383 BEND A LYS 384 A LYS 384 BEND15 ? ? +A ASP 386 A ASP 386 STRN A VAL 387 A VAL 387 STRN9 ? ? +A PRO 389 A PRO 389 TURN_TY1_P A SER 390 A SER 390 TURN_TY1_P22 ? ? +A GLY 391 A GLY 391 BEND A GLY 391 A GLY 391 BEND16 ? ? +A LYS 393 A LYS 393 STRN A VAL 394 A VAL 394 STRN10 ? ? +A ALA 396 A ALA 396 TURN_TY1_P A ASN 397 A ASN 397 TURN_TY1_P23 ? ? +A LYS 399 A LYS 399 STRN A ILE 402 A ILE 402 STRN11 ? ? +A LEU 404 A LEU 404 HELX_RH_AL_P A LEU 407 A LEU 407 HELX_RH_AL_P18 ? ? +A GLY 408 A GLY 408 TURN_TY1_P A ARG 409 A ARG 409 TURN_TY1_P24 ? ? +A ARG 411 A ARG 411 HELX_RH_AL_P A TRP 414 A TRP 414 HELX_RH_AL_P19 ? ? +A GLU 416 A GLU 416 TURN_TY1_P A SER 419 A SER 419 TURN_TY1_P25 ? ? +A GLN 420 A GLN 420 BEND A GLN 420 A GLN 420 BEND17 ? ? +A PRO 423 A PRO 423 HELX_RH_3T_P A TRP 426 A TRP 426 HELX_RH_3T_P4 ? ? +A ILE 427 A ILE 427 STRN A ILE 427 A ILE 427 STRN12 ? ? +A GLU 429 A GLU 429 TURN_TY1_P A ASN 430 A ASN 430 TURN_TY1_P26 ? ? +A GLY 431 A GLY 431 BEND A GLY 432 A GLY 432 BEND18 ? ? +A ILE 433 A ILE 433 STRN A ILE 433 A ILE 433 STRN13 ? ? +A LYS 434 A LYS 434 HELX_LH_PP_P A PRO 437 A PRO 437 HELX_LH_PP_P4 ? ? +A SER 438 A SER 438 TURN_TY1_P A LYS 440 A LYS 440 TURN_TY1_P27 ? ? +A LEU 442 A LEU 442 HELX_RH_3T_P A PHE 444 A PHE 444 HELX_RH_3T_P5 ? ? +A GLY 447 A GLY 447 HELX_RH_3T_P A ARG 449 A ARG 449 HELX_RH_3T_P6 ? ? +A LEU 452 A LEU 452 TURN_TY1_P A GLY 453 A GLY 453 TURN_TY1_P28 ? ? +A LYS 454 A LYS 454 HELX_RH_AL_P A ASN 471 A ASN 471 HELX_RH_AL_P20 ? ? +A TYR 472 A TYR 472 STRN A VAL 476 A VAL 476 STRN14 ? ? +A LEU 477 A LEU 477 HELX_LH_PP_P A LEU 477 A LEU 477 HELX_LH_PP_P5 ? ? +A GLN 478 A GLN 478 TURN_TY1_P A GLY 479 A GLY 479 TURN_TY1_P29 ? ? +A PRO 484 A PRO 484 STRN A PRO 484 A PRO 484 STRN15 ? ? +A LEU 486 A LEU 486 BEND A PHE 488 A PHE 488 BEND19 ? ? +A ILE 489 A ILE 489 STRN A ILE 489 A ILE 489 STRN16 ? ? +A MET 492 A MET 492 STRN A MET 492 A MET 492 STRN17 ? ? +A LYS 493 A LYS 493 TURN_TY1_P A HIS 494 A HIS 494 TURN_TY1_P30 ? ? +A GLN 497 A GLN 497 STRN A LYS 502 A LYS 502 STRN18 ? ? +A ARG 503 A ARG 503 HELX_LH_PP_P A CYS 504 A CYS 504 HELX_LH_PP_P6 ? ? +# +loop_ +_struct_conf_type.criteria +_struct_conf_type.id +DSSP HELX_RH_AL_P +DSSP BEND +DSSP HELX_LH_PP_P +DSSP STRN +DSSP TURN_TY1_P +DSSP HELX_RH_3T_P +DSSP HELX_RH_PI_P +# +_struct_ref.db_code O49373_ARATH +_struct_ref.db_name UNP +_struct_ref.entity_id 1 +_struct_ref.id 1 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_align_end 506 +_struct_ref.pdbx_db_accession O49373 +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code +;MASISLLQVSVAILCFLILHYFLFKKPHGRYPRNWPVLRMLPAMLKALHRIYDYSVKILETSDLTFPFKGPRFTGMDMLL +TVDPANIHHIMSSNFSNYIKGPEFQDVFDVLGDSFITTDSELWKNMRKSYQAMLHSQEFQRFSMSTMTSKLKYGLVPLLN +HFAEEGTTLDLQSVFGRFTFDTIFILVTGSDPRSLSIEMPEDEFAKALDDVGEGILYRHFKPRFLWKLQNWIGFGQEKKL +TEANATFDRVCAKYISAKREEIKRSQGTSNGGSQDLLTSFIKLDTTKYKLLNPSDDKFLRDNILAFILAGRDTTATALSW +FFWLLSENPHVVAKIHQEININTDLSRTGNSQENVDKLVYLHGALCEAMRLYPPVSFGRKSPIKSDVLPSGHKVDANSKI +IICLYALGRMRAVWGEDASQFKPERWISENGGIKHEPSFKFLSFNAGPRTCLGKHLAMTQMKIVAVEILRNYDIKVLQGQ +KIVPALGFILSMKHGLQITVTKRCSA +; +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.db_align_end 506 +_struct_ref_seq.pdbx_PDB_id_code AF-O49373-F1 +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 506 +_struct_ref_seq.pdbx_db_accession O49373 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.ref_id 1 +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.seq_align_end 506 +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +_atom_site.pdbx_sifts_xref_db_acc +_atom_site.pdbx_sifts_xref_db_name +_atom_site.pdbx_sifts_xref_db_num +_atom_site.pdbx_sifts_xref_db_res +ATOM 1 N N . MET A 1 1 ? 29.594 51.428 -3.029 1.0 42.67 ? 1 MET A N 1 O49373 UNP 1 M +ATOM 2 C CA . MET A 1 1 ? 28.496 50.666 -3.662 1.0 42.67 ? 1 MET A CA 1 O49373 UNP 1 M +ATOM 3 C C . MET A 1 1 ? 28.958 50.270 -5.054 1.0 42.67 ? 1 MET A C 1 O49373 UNP 1 M +ATOM 4 C CB . MET A 1 1 ? 27.210 51.511 -3.738 1.0 42.67 ? 1 MET A CB 1 O49373 UNP 1 M +ATOM 5 O O . MET A 1 1 ? 29.161 51.160 -5.866 1.0 42.67 ? 1 MET A O 1 O49373 UNP 1 M +ATOM 6 C CG . MET A 1 1 ? 26.513 51.622 -2.377 1.0 42.67 ? 1 MET A CG 1 O49373 UNP 1 M +ATOM 7 S SD . MET A 1 1 ? 24.956 52.545 -2.425 1.0 42.67 ? 1 MET A SD 1 O49373 UNP 1 M +ATOM 8 C CE . MET A 1 1 ? 25.522 54.230 -2.056 1.0 42.67 ? 1 MET A CE 1 O49373 UNP 1 M +ATOM 9 N N . ALA A 1 2 ? 29.236 48.988 -5.307 1.0 58.55 ? 2 ALA A N 1 O49373 UNP 2 A +ATOM 10 C CA . ALA A 1 2 ? 29.590 48.535 -6.652 1.0 58.55 ? 2 ALA A CA 1 O49373 UNP 2 A +ATOM 11 C C . ALA A 1 2 ? 28.360 48.709 -7.554 1.0 58.55 ? 2 ALA A C 1 O49373 UNP 2 A +ATOM 12 C CB . ALA A 1 2 ? 30.077 47.081 -6.582 1.0 58.55 ? 2 ALA A CB 1 O49373 UNP 2 A +ATOM 13 O O . ALA A 1 2 ? 27.311 48.123 -7.283 1.0 58.55 ? 2 ALA A O 1 O49373 UNP 2 A +ATOM 14 N N . SER A 1 3 ? 28.457 49.574 -8.562 1.0 64.28 ? 3 SER A N 1 O49373 UNP 3 S +ATOM 15 C CA . SER A 1 3 ? 27.384 49.796 -9.524 1.0 64.28 ? 3 SER A CA 1 O49373 UNP 3 S +ATOM 16 C C . SER A 1 3 ? 27.192 48.517 -10.335 1.0 64.28 ? 3 SER A C 1 O49373 UNP 3 S +ATOM 17 C CB . SER A 1 3 ? 27.694 51.004 -10.420 1.0 64.28 ? 3 SER A CB 1 O49373 UNP 3 S +ATOM 18 O O . SER A 1 3 ? 28.056 48.113 -11.112 1.0 64.28 ? 3 SER A O 1 O49373 UNP 3 S +ATOM 19 O OG . SER A 1 3 ? 29.020 50.961 -10.913 1.0 64.28 ? 3 SER A OG 1 O49373 UNP 3 S +ATOM 20 N N . ILE A 1 4 ? 26.064 47.840 -10.127 1.0 68.22 ? 4 ILE A N 1 O49373 UNP 4 I +ATOM 21 C CA . ILE A 1 4 ? 25.645 46.737 -10.993 1.0 68.22 ? 4 ILE A CA 1 O49373 UNP 4 I +ATOM 22 C C . ILE A 1 4 ? 25.551 47.320 -12.405 1.0 68.22 ? 4 ILE A C 1 O49373 UNP 4 I +ATOM 23 C CB . ILE A 1 4 ? 24.305 46.138 -10.513 1.0 68.22 ? 4 ILE A CB 1 O49373 UNP 4 I +ATOM 24 O O . ILE A 1 4 ? 24.814 48.282 -12.632 1.0 68.22 ? 4 ILE A O 1 O49373 UNP 4 I +ATOM 25 C CG1 . ILE A 1 4 ? 24.431 45.615 -9.062 1.0 68.22 ? 4 ILE A CG1 1 O49373 UNP 4 I +ATOM 26 C CG2 . ILE A 1 4 ? 23.860 45.002 -11.453 1.0 68.22 ? 4 ILE A CG2 1 O49373 UNP 4 I +ATOM 27 C CD1 . ILE A 1 4 ? 23.102 45.156 -8.452 1.0 68.22 ? 4 ILE A CD1 1 O49373 UNP 4 I +ATOM 28 N N . SER A 1 5 ? 26.342 46.798 -13.342 1.0 80.60 ? 5 SER A N 1 O49373 UNP 5 S +ATOM 29 C CA . SER A 1 5 ? 26.377 47.359 -14.690 1.0 80.60 ? 5 SER A CA 1 O49373 UNP 5 S +ATOM 30 C C . SER A 1 5 ? 25.041 47.112 -15.394 1.0 80.60 ? 5 SER A C 1 O49373 UNP 5 S +ATOM 31 C CB . SER A 1 5 ? 27.581 46.846 -15.489 1.0 80.60 ? 5 SER A CB 1 O49373 UNP 5 S +ATOM 32 O O . SER A 1 5 ? 24.412 46.064 -15.220 1.0 80.60 ? 5 SER A O 1 O49373 UNP 5 S +ATOM 33 O OG . SER A 1 5 ? 27.429 45.496 -15.883 1.0 80.60 ? 5 SER A OG 1 O49373 UNP 5 S +ATOM 34 N N . LEU A 1 6 ? 24.606 48.061 -16.228 1.0 82.98 ? 6 LEU A N 1 O49373 UNP 6 L +ATOM 35 C CA . LEU A 1 6 ? 23.365 47.951 -17.008 1.0 82.98 ? 6 LEU A CA 1 O49373 UNP 6 L +ATOM 36 C C . LEU A 1 6 ? 23.308 46.636 -17.815 1.0 82.98 ? 6 LEU A C 1 O49373 UNP 6 L +ATOM 37 C CB . LEU A 1 6 ? 23.285 49.167 -17.952 1.0 82.98 ? 6 LEU A CB 1 O49373 UNP 6 L +ATOM 38 O O . LEU A 1 6 ? 22.240 46.055 -18.005 1.0 82.98 ? 6 LEU A O 1 O49373 UNP 6 L +ATOM 39 C CG . LEU A 1 6 ? 21.836 49.543 -18.324 1.0 82.98 ? 6 LEU A CG 1 O49373 UNP 6 L +ATOM 40 C CD1 . LEU A 1 6 ? 21.333 50.670 -17.420 1.0 82.98 ? 6 LEU A CD1 1 O49373 UNP 6 L +ATOM 41 C CD2 . LEU A 1 6 ? 21.751 50.010 -19.775 1.0 82.98 ? 6 LEU A CD2 1 O49373 UNP 6 L +ATOM 42 N N . LEU A 1 7 ? 24.475 46.132 -18.235 1.0 83.36 ? 7 LEU A N 1 O49373 UNP 7 L +ATOM 43 C CA . LEU A 1 7 ? 24.641 44.857 -18.927 1.0 83.36 ? 7 LEU A CA 1 O49373 UNP 7 L +ATOM 44 C C . LEU A 1 7 ? 24.245 43.660 -18.046 1.0 83.36 ? 7 LEU A C 1 O49373 UNP 7 L +ATOM 45 C CB . LEU A 1 7 ? 26.110 44.744 -19.378 1.0 83.36 ? 7 LEU A CB 1 O49373 UNP 7 L +ATOM 46 O O . LEU A 1 7 ? 23.513 42.788 -18.505 1.0 83.36 ? 7 LEU A O 1 O49373 UNP 7 L +ATOM 47 C CG . LEU A 1 7 ? 26.343 43.597 -20.381 1.0 83.36 ? 7 LEU A CG 1 O49373 UNP 7 L +ATOM 48 C CD1 . LEU A 1 7 ? 25.999 44.041 -21.804 1.0 83.36 ? 7 LEU A CD1 1 O49373 UNP 7 L +ATOM 49 C CD2 . LEU A 1 7 ? 27.800 43.143 -20.353 1.0 83.36 ? 7 LEU A CD2 1 O49373 UNP 7 L +ATOM 50 N N . GLN A 1 8 ? 24.678 43.621 -16.781 1.0 85.35 ? 8 GLN A N 1 O49373 UNP 8 Q +ATOM 51 C CA . GLN A 1 8 ? 24.323 42.543 -15.847 1.0 85.35 ? 8 GLN A CA 1 O49373 UNP 8 Q +ATOM 52 C C . GLN A 1 8 ? 22.816 42.513 -15.580 1.0 85.35 ? 8 GLN A C 1 O49373 UNP 8 Q +ATOM 53 C CB . GLN A 1 8 ? 25.077 42.720 -14.523 1.0 85.35 ? 8 GLN A CB 1 O49373 UNP 8 Q +ATOM 54 O O . GLN A 1 8 ? 22.213 41.441 -15.597 1.0 85.35 ? 8 GLN A O 1 O49373 UNP 8 Q +ATOM 55 C CG . GLN A 1 8 ? 26.568 42.377 -14.638 1.0 85.35 ? 8 GLN A CG 1 O49373 UNP 8 Q +ATOM 56 C CD . GLN A 1 8 ? 27.346 42.711 -13.367 1.0 85.35 ? 8 GLN A CD 1 O49373 UNP 8 Q +ATOM 57 N NE2 . GLN A 1 8 ? 28.599 42.323 -13.279 1.0 85.35 ? 8 GLN A NE2 1 O49373 UNP 8 Q +ATOM 58 O OE1 . GLN A 1 8 ? 26.864 43.334 -12.436 1.0 85.35 ? 8 GLN A OE1 1 O49373 UNP 8 Q +ATOM 59 N N . VAL A 1 9 ? 22.198 43.687 -15.407 1.0 86.99 ? 9 VAL A N 1 O49373 UNP 9 V +ATOM 60 C CA . VAL A 1 9 ? 20.740 43.805 -15.247 1.0 86.99 ? 9 VAL A CA 1 O49373 UNP 9 V +ATOM 61 C C . VAL A 1 9 ? 20.020 43.337 -16.512 1.0 86.99 ? 9 VAL A C 1 O49373 UNP 9 V +ATOM 62 C CB . VAL A 1 9 ? 20.327 45.246 -14.885 1.0 86.99 ? 9 VAL A CB 1 O49373 UNP 9 V +ATOM 63 O O . VAL A 1 9 ? 19.074 42.561 -16.424 1.0 86.99 ? 9 VAL A O 1 O49373 UNP 9 V +ATOM 64 C CG1 . VAL A 1 9 ? 18.814 45.361 -14.677 1.0 86.99 ? 9 VAL A CG1 1 O49373 UNP 9 V +ATOM 65 C CG2 . VAL A 1 9 ? 21.011 45.712 -13.596 1.0 86.99 ? 9 VAL A CG2 1 O49373 UNP 9 V +ATOM 66 N N . SER A 1 10 ? 20.498 43.733 -17.693 1.0 83.77 ? 10 SER A N 1 O49373 UNP 10 S +ATOM 67 C CA . SER A 1 10 ? 19.900 43.343 -18.978 1.0 83.77 ? 10 SER A CA 1 O49373 UNP 10 S +ATOM 68 C C . SER A 1 10 ? 19.988 41.837 -19.226 1.0 83.77 ? 10 SER A C 1 O49373 UNP 10 S +ATOM 69 C CB . SER A 1 10 ? 20.579 44.082 -20.134 1.0 83.77 ? 10 SER A CB 1 O49373 UNP 10 S +ATOM 70 O O . SER A 1 10 ? 19.008 41.227 -19.645 1.0 83.77 ? 10 SER A O 1 O49373 UNP 10 S +ATOM 71 O OG . SER A 1 10 ? 20.482 45.479 -19.955 1.0 83.77 ? 10 SER A OG 1 O49373 UNP 10 S +ATOM 72 N N . VAL A 1 11 ? 21.128 41.210 -18.913 1.0 85.62 ? 11 VAL A N 1 O49373 UNP 11 V +ATOM 73 C CA . VAL A 1 11 ? 21.296 39.751 -18.996 1.0 85.62 ? 11 VAL A CA 1 O49373 UNP 11 V +ATOM 74 C C . VAL A 1 11 ? 20.403 39.047 -17.976 1.0 85.62 ? 11 VAL A C 1 O49373 UNP 11 V +ATOM 75 C CB . VAL A 1 11 ? 22.773 39.347 -18.819 1.0 85.62 ? 11 VAL A CB 1 O49373 UNP 11 V +ATOM 76 O O . VAL A 1 11 ? 19.759 38.062 -18.324 1.0 85.62 ? 11 VAL A O 1 O49373 UNP 11 V +ATOM 77 C CG1 . VAL A 1 11 ? 22.960 37.825 -18.725 1.0 85.62 ? 11 VAL A CG1 1 O49373 UNP 11 V +ATOM 78 C CG2 . VAL A 1 11 ? 23.612 39.826 -20.012 1.0 85.62 ? 11 VAL A CG2 1 O49373 UNP 11 V +ATOM 79 N N . ALA A 1 12 ? 20.301 39.551 -16.743 1.0 85.21 ? 12 ALA A N 1 O49373 UNP 12 A +ATOM 80 C CA . ALA A 1 12 ? 19.412 38.984 -15.730 1.0 85.21 ? 12 ALA A CA 1 O49373 UNP 12 A +ATOM 81 C C . ALA A 1 12 ? 17.932 39.091 -16.134 1.0 85.21 ? 12 ALA A C 1 O49373 UNP 12 A +ATOM 82 C CB . ALA A 1 12 ? 19.685 39.667 -14.387 1.0 85.21 ? 12 ALA A CB 1 O49373 UNP 12 A +ATOM 83 O O . ALA A 1 12 ? 17.203 38.110 -16.003 1.0 85.21 ? 12 ALA A O 1 O49373 UNP 12 A +ATOM 84 N N . ILE A 1 13 ? 17.501 40.231 -16.687 1.0 86.13 ? 13 ILE A N 1 O49373 UNP 13 I +ATOM 85 C CA . ILE A 1 13 ? 16.146 40.429 -17.220 1.0 86.13 ? 13 ILE A CA 1 O49373 UNP 13 I +ATOM 86 C C . ILE A 1 13 ? 15.913 39.524 -18.425 1.0 86.13 ? 13 ILE A C 1 O49373 UNP 13 I +ATOM 87 C CB . ILE A 1 13 ? 15.880 41.911 -17.573 1.0 86.13 ? 13 ILE A CB 1 O49373 UNP 13 I +ATOM 88 O O . ILE A 1 13 ? 14.876 38.879 -18.484 1.0 86.13 ? 13 ILE A O 1 O49373 UNP 13 I +ATOM 89 C CG1 . ILE A 1 13 ? 15.809 42.760 -16.285 1.0 86.13 ? 13 ILE A CG1 1 O49373 UNP 13 I +ATOM 90 C CG2 . ILE A 1 13 ? 14.564 42.070 -18.366 1.0 86.13 ? 13 ILE A CG2 1 O49373 UNP 13 I +ATOM 91 C CD1 . ILE A 1 13 ? 15.790 44.271 -16.548 1.0 86.13 ? 13 ILE A CD1 1 O49373 UNP 13 I +ATOM 92 N N . LEU A 1 14 ? 16.856 39.414 -19.364 1.0 83.66 ? 14 LEU A N 1 O49373 UNP 14 L +ATOM 93 C CA . LEU A 1 14 ? 16.719 38.522 -20.514 1.0 83.66 ? 14 LEU A CA 1 O49373 UNP 14 L +ATOM 94 C C . LEU A 1 14 ? 16.625 37.063 -20.059 1.0 83.66 ? 14 LEU A C 1 O49373 UNP 14 L +ATOM 95 C CB . LEU A 1 14 ? 17.890 38.741 -21.487 1.0 83.66 ? 14 LEU A CB 1 O49373 UNP 14 L +ATOM 96 O O . LEU A 1 14 ? 15.727 36.356 -20.498 1.0 83.66 ? 14 LEU A O 1 O49373 UNP 14 L +ATOM 97 C CG . LEU A 1 14 ? 17.761 37.925 -22.787 1.0 83.66 ? 14 LEU A CG 1 O49373 UNP 14 L +ATOM 98 C CD1 . LEU A 1 14 ? 16.667 38.471 -23.707 1.0 83.66 ? 14 LEU A CD1 1 O49373 UNP 14 L +ATOM 99 C CD2 . LEU A 1 14 ? 19.085 37.932 -23.547 1.0 83.66 ? 14 LEU A CD2 1 O49373 UNP 14 L +ATOM 100 N N . CYS A 1 15 ? 17.483 36.623 -19.137 1.0 81.64 ? 15 CYS A N 1 O49373 UNP 15 C +ATOM 101 C CA . CYS A 1 15 ? 17.406 35.301 -18.518 1.0 81.64 ? 15 CYS A CA 1 O49373 UNP 15 C +ATOM 102 C C . CYS A 1 15 ? 16.072 35.096 -17.795 1.0 81.64 ? 15 CYS A C 1 O49373 UNP 15 C +ATOM 103 C CB . CYS A 1 15 ? 18.581 35.125 -17.548 1.0 81.64 ? 15 CYS A CB 1 O49373 UNP 15 C +ATOM 104 O O . CYS A 1 15 ? 15.473 34.036 -17.943 1.0 81.64 ? 15 CYS A O 1 O49373 UNP 15 C +ATOM 105 S SG . CYS A 1 15 ? 20.103 34.812 -18.485 1.0 81.64 ? 15 CYS A SG 1 O49373 UNP 15 C +ATOM 106 N N . PHE A 1 16 ? 15.573 36.099 -17.066 1.0 82.18 ? 16 PHE A N 1 O49373 UNP 16 F +ATOM 107 C CA . PHE A 1 16 ? 14.274 36.057 -16.400 1.0 82.18 ? 16 PHE A CA 1 O49373 UNP 16 F +ATOM 108 C C . PHE A 1 16 ? 13.119 35.997 -17.400 1.0 82.18 ? 16 PHE A C 1 O49373 UNP 16 F +ATOM 109 C CB . PHE A 1 16 ? 14.117 37.261 -15.461 1.0 82.18 ? 16 PHE A CB 1 O49373 UNP 16 F +ATOM 110 O O . PHE A 1 16 ? 12.237 35.174 -17.222 1.0 82.18 ? 16 PHE A O 1 O49373 UNP 16 F +ATOM 111 C CG . PHE A 1 16 ? 12.763 37.317 -14.777 1.0 82.18 ? 16 PHE A CG 1 O49373 UNP 16 F +ATOM 112 C CD1 . PHE A 1 16 ? 11.723 38.092 -15.325 1.0 82.18 ? 16 PHE A CD1 1 O49373 UNP 16 F +ATOM 113 C CD2 . PHE A 1 16 ? 12.536 36.573 -13.605 1.0 82.18 ? 16 PHE A CD2 1 O49373 UNP 16 F +ATOM 114 C CE1 . PHE A 1 16 ? 10.463 38.124 -14.702 1.0 82.18 ? 16 PHE A CE1 1 O49373 UNP 16 F +ATOM 115 C CE2 . PHE A 1 16 ? 11.277 36.609 -12.978 1.0 82.18 ? 16 PHE A CE2 1 O49373 UNP 16 F +ATOM 116 C CZ . PHE A 1 16 ? 10.240 37.385 -13.527 1.0 82.18 ? 16 PHE A CZ 1 O49373 UNP 16 F +ATOM 117 N N . LEU A 1 17 ? 13.126 36.795 -18.470 1.0 79.94 ? 17 LEU A N 1 O49373 UNP 17 L +ATOM 118 C CA . LEU A 1 17 ? 12.110 36.802 -19.524 1.0 79.94 ? 17 LEU A CA 1 O49373 UNP 17 L +ATOM 119 C C . LEU A 1 17 ? 12.136 35.507 -20.326 1.0 79.94 ? 17 LEU A C 1 O49373 UNP 17 L +ATOM 120 C CB . LEU A 1 17 ? 12.336 37.988 -20.478 1.0 79.94 ? 17 LEU A CB 1 O49373 UNP 17 L +ATOM 121 O O . LEU A 1 17 ? 11.081 34.960 -20.616 1.0 79.94 ? 17 LEU A O 1 O49373 UNP 17 L +ATOM 122 C CG . LEU A 1 17 ? 11.978 39.371 -19.909 1.0 79.94 ? 17 LEU A CG 1 O49373 UNP 17 L +ATOM 123 C CD1 . LEU A 1 17 ? 12.365 40.434 -20.936 1.0 79.94 ? 17 LEU A CD1 1 O49373 UNP 17 L +ATOM 124 C CD2 . LEU A 1 17 ? 10.485 39.506 -19.607 1.0 79.94 ? 17 LEU A CD2 1 O49373 UNP 17 L +ATOM 125 N N . ILE A 1 18 ? 13.322 34.984 -20.633 1.0 75.60 ? 18 ILE A N 1 O49373 UNP 18 I +ATOM 126 C CA . ILE A 1 18 ? 13.527 33.666 -21.228 1.0 75.60 ? 18 ILE A CA 1 O49373 UNP 18 I +ATOM 127 C C . ILE A 1 18 ? 12.922 32.616 -20.304 1.0 75.60 ? 18 ILE A C 1 O49373 UNP 18 I +ATOM 128 C CB . ILE A 1 18 ? 15.034 33.457 -21.515 1.0 75.60 ? 18 ILE A CB 1 O49373 UNP 18 I +ATOM 129 O O . ILE A 1 18 ? 12.036 31.893 -20.741 1.0 75.60 ? 18 ILE A O 1 O49373 UNP 18 I +ATOM 130 C CG1 . ILE A 1 18 ? 15.409 34.222 -22.806 1.0 75.60 ? 18 ILE A CG1 1 O49373 UNP 18 I +ATOM 131 C CG2 . ILE A 1 18 ? 15.446 31.989 -21.660 1.0 75.60 ? 18 ILE A CG2 1 O49373 UNP 18 I +ATOM 132 C CD1 . ILE A 1 18 ? 16.908 34.205 -23.129 1.0 75.60 ? 18 ILE A CD1 1 O49373 UNP 18 I +ATOM 133 N N . LEU A 1 19 ? 13.322 32.571 -19.028 1.0 72.79 ? 19 LEU A N 1 O49373 UNP 19 L +ATOM 134 C CA . LEU A 1 19 ? 12.820 31.620 -18.034 1.0 72.79 ? 19 LEU A CA 1 O49373 UNP 19 L +ATOM 135 C C . LEU A 1 19 ? 11.305 31.763 -17.831 1.0 72.79 ? 19 LEU A C 1 O49373 UNP 19 L +ATOM 136 C CB . LEU A 1 19 ? 13.580 31.832 -16.709 1.0 72.79 ? 19 LEU A CB 1 O49373 UNP 19 L +ATOM 137 O O . LEU A 1 19 ? 10.608 30.760 -17.771 1.0 72.79 ? 19 LEU A O 1 O49373 UNP 19 L +ATOM 138 C CG . LEU A 1 19 ? 13.516 30.626 -15.754 1.0 72.79 ? 19 LEU A CG 1 O49373 UNP 19 L +ATOM 139 C CD1 . LEU A 1 19 ? 14.819 29.822 -15.820 1.0 72.79 ? 19 LEU A CD1 1 O49373 UNP 19 L +ATOM 140 C CD2 . LEU A 1 19 ? 13.314 31.074 -14.308 1.0 72.79 ? 19 LEU A CD2 1 O49373 UNP 19 L +ATOM 141 N N . HIS A 1 20 ? 10.779 32.985 -17.786 1.0 72.74 ? 20 HIS A N 1 O49373 UNP 20 H +ATOM 142 C CA . HIS A 1 20 ? 9.367 33.305 -17.606 1.0 72.74 ? 20 HIS A CA 1 O49373 UNP 20 H +ATOM 143 C C . HIS A 1 20 ? 8.551 32.905 -18.838 1.0 72.74 ? 20 HIS A C 1 O49373 UNP 20 H +ATOM 144 C CB . HIS A 1 20 ? 9.217 34.801 -17.277 1.0 72.74 ? 20 HIS A CB 1 O49373 UNP 20 H +ATOM 145 O O . HIS A 1 20 ? 7.636 32.093 -18.735 1.0 72.74 ? 20 HIS A O 1 O49373 UNP 20 H +ATOM 146 C CG . HIS A 1 20 ? 7.807 35.194 -16.941 1.0 72.74 ? 20 HIS A CG 1 O49373 UNP 20 H +ATOM 147 C CD2 . HIS A 1 20 ? 6.989 36.044 -17.634 1.0 72.74 ? 20 HIS A CD2 1 O49373 UNP 20 H +ATOM 148 N ND1 . HIS A 1 20 ? 7.095 34.751 -15.856 1.0 72.74 ? 20 HIS A ND1 1 O49373 UNP 20 H +ATOM 149 C CE1 . HIS A 1 20 ? 5.863 35.279 -15.913 1.0 72.74 ? 20 HIS A CE1 1 O49373 UNP 20 H +ATOM 150 N NE2 . HIS A 1 20 ? 5.751 36.071 -16.985 1.0 72.74 ? 20 HIS A NE2 1 O49373 UNP 20 H +ATOM 151 N N . TYR A 1 21 ? 8.936 33.356 -20.032 1.0 68.64 ? 21 TYR A N 1 O49373 UNP 21 Y +ATOM 152 C CA . TYR A 1 21 ? 8.348 32.917 -21.298 1.0 68.64 ? 21 TYR A CA 1 O49373 UNP 21 Y +ATOM 153 C C . TYR A 1 21 ? 8.329 31.390 -21.389 1.0 68.64 ? 21 TYR A C 1 O49373 UNP 21 Y +ATOM 154 C CB . TYR A 1 21 ? 9.165 33.497 -22.460 1.0 68.64 ? 21 TYR A CB 1 O49373 UNP 21 Y +ATOM 155 O O . TYR A 1 21 ? 7.346 30.776 -21.801 1.0 68.64 ? 21 TYR A O 1 O49373 UNP 21 Y +ATOM 156 C CG . TYR A 1 21 ? 8.649 33.090 -23.823 1.0 68.64 ? 21 TYR A CG 1 O49373 UNP 21 Y +ATOM 157 C CD1 . TYR A 1 21 ? 9.277 32.059 -24.550 1.0 68.64 ? 21 TYR A CD1 1 O49373 UNP 21 Y +ATOM 158 C CD2 . TYR A 1 21 ? 7.533 33.756 -24.358 1.0 68.64 ? 21 TYR A CD2 1 O49373 UNP 21 Y +ATOM 159 C CE1 . TYR A 1 21 ? 8.784 31.697 -25.820 1.0 68.64 ? 21 TYR A CE1 1 O49373 UNP 21 Y +ATOM 160 C CE2 . TYR A 1 21 ? 7.047 33.410 -25.630 1.0 68.64 ? 21 TYR A CE2 1 O49373 UNP 21 Y +ATOM 161 O OH . TYR A 1 21 ? 7.199 32.059 -27.596 1.0 68.64 ? 21 TYR A OH 1 O49373 UNP 21 Y +ATOM 162 C CZ . TYR A 1 21 ? 7.675 32.384 -26.363 1.0 68.64 ? 21 TYR A CZ 1 O49373 UNP 21 Y +ATOM 163 N N . PHE A 1 22 ? 9.399 30.752 -20.932 1.0 62.15 ? 22 PHE A N 1 O49373 UNP 22 F +ATOM 164 C CA . PHE A 1 22 ? 9.543 29.314 -20.954 1.0 62.15 ? 22 PHE A CA 1 O49373 UNP 22 F +ATOM 165 C C . PHE A 1 22 ? 8.718 28.569 -19.890 1.0 62.15 ? 22 PHE A C 1 O49373 UNP 22 F +ATOM 166 C CB . PHE A 1 22 ? 11.052 29.043 -20.940 1.0 62.15 ? 22 PHE A CB 1 O49373 UNP 22 F +ATOM 167 O O . PHE A 1 22 ? 8.101 27.556 -20.225 1.0 62.15 ? 22 PHE A O 1 O49373 UNP 22 F +ATOM 168 C CG . PHE A 1 22 ? 11.745 29.129 -22.313 1.0 62.15 ? 22 PHE A CG 1 O49373 UNP 22 F +ATOM 169 C CD1 . PHE A 1 22 ? 11.120 28.715 -23.515 1.0 62.15 ? 22 PHE A CD1 1 O49373 UNP 22 F +ATOM 170 C CD2 . PHE A 1 22 ? 13.073 29.579 -22.391 1.0 62.15 ? 22 PHE A CD2 1 O49373 UNP 22 F +ATOM 171 C CE1 . PHE A 1 22 ? 11.788 28.789 -24.752 1.0 62.15 ? 22 PHE A CE1 1 O49373 UNP 22 F +ATOM 172 C CE2 . PHE A 1 22 ? 13.747 29.627 -23.627 1.0 62.15 ? 22 PHE A CE2 1 O49373 UNP 22 F +ATOM 173 C CZ . PHE A 1 22 ? 13.104 29.254 -24.809 1.0 62.15 ? 22 PHE A CZ 1 O49373 UNP 22 F +ATOM 174 N N . LEU A 1 23 ? 8.616 29.083 -18.663 1.0 62.19 ? 23 LEU A N 1 O49373 UNP 23 L +ATOM 175 C CA . LEU A 1 23 ? 7.786 28.538 -17.580 1.0 62.19 ? 23 LEU A CA 1 O49373 UNP 23 L +ATOM 176 C C . LEU A 1 23 ? 6.277 28.730 -17.832 1.0 62.19 ? 23 LEU A C 1 O49373 UNP 23 L +ATOM 177 C CB . LEU A 1 23 ? 8.196 29.217 -16.255 1.0 62.19 ? 23 LEU A CB 1 O49373 UNP 23 L +ATOM 178 O O . LEU A 1 23 ? 5.468 27.894 -17.409 1.0 62.19 ? 23 LEU A O 1 O49373 UNP 23 L +ATOM 179 C CG . LEU A 1 23 ? 9.537 28.744 -15.658 1.0 62.19 ? 23 LEU A CG 1 O49373 UNP 23 L +ATOM 180 C CD1 . LEU A 1 23 ? 9.973 29.708 -14.553 1.0 62.19 ? 23 LEU A CD1 1 O49373 UNP 23 L +ATOM 181 C CD2 . LEU A 1 23 ? 9.429 27.343 -15.052 1.0 62.19 ? 23 LEU A CD2 1 O49373 UNP 23 L +ATOM 182 N N . PHE A 1 24 ? 5.893 29.811 -18.523 1.0 61.34 ? 24 PHE A N 1 O49373 UNP 24 F +ATOM 183 C CA . PHE A 1 24 ? 4.494 30.215 -18.702 1.0 61.34 ? 24 PHE A CA 1 O49373 UNP 24 F +ATOM 184 C C . PHE A 1 24 ? 3.903 29.883 -20.082 1.0 61.34 ? 24 PHE A C 1 O49373 UNP 24 F +ATOM 185 C CB . PHE A 1 24 ? 4.330 31.693 -18.320 1.0 61.34 ? 24 PHE A CB 1 O49373 UNP 24 F +ATOM 186 O O . PHE A 1 24 ? 2.678 29.787 -20.197 1.0 61.34 ? 24 PHE A O 1 O49373 UNP 24 F +ATOM 187 C CG . PHE A 1 24 ? 4.410 31.937 -16.820 1.0 61.34 ? 24 PHE A CG 1 O49373 UNP 24 F +ATOM 188 C CD1 . PHE A 1 24 ? 3.233 32.006 -16.054 1.0 61.34 ? 24 PHE A CD1 1 O49373 UNP 24 F +ATOM 189 C CD2 . PHE A 1 24 ? 5.650 32.062 -16.166 1.0 61.34 ? 24 PHE A CD2 1 O49373 UNP 24 F +ATOM 190 C CE1 . PHE A 1 24 ? 3.299 32.231 -14.667 1.0 61.34 ? 24 PHE A CE1 1 O49373 UNP 24 F +ATOM 191 C CE2 . PHE A 1 24 ? 5.720 32.276 -14.780 1.0 61.34 ? 24 PHE A CE2 1 O49373 UNP 24 F +ATOM 192 C CZ . PHE A 1 24 ? 4.541 32.381 -14.030 1.0 61.34 ? 24 PHE A CZ 1 O49373 UNP 24 F +ATOM 193 N N . LYS A 1 25 ? 4.709 29.612 -21.121 1.0 56.19 ? 25 LYS A N 1 O49373 UNP 25 K +ATOM 194 C CA . LYS A 1 25 ? 4.176 29.152 -22.417 1.0 56.19 ? 25 LYS A CA 1 O49373 UNP 25 K +ATOM 195 C C . LYS A 1 25 ? 3.510 27.778 -22.268 1.0 56.19 ? 25 LYS A C 1 O49373 UNP 25 K +ATOM 196 C CB . LYS A 1 25 ? 5.275 29.181 -23.496 1.0 56.19 ? 25 LYS A CB 1 O49373 UNP 25 K +ATOM 197 O O . LYS A 1 25 ? 4.148 26.808 -21.851 1.0 56.19 ? 25 LYS A O 1 O49373 UNP 25 K +ATOM 198 C CG . LYS A 1 25 ? 4.741 28.954 -24.920 1.0 56.19 ? 25 LYS A CG 1 O49373 UNP 25 K +ATOM 199 C CD . LYS A 1 25 ? 5.849 29.135 -25.972 1.0 56.19 ? 25 LYS A CD 1 O49373 UNP 25 K +ATOM 200 C CE . LYS A 1 25 ? 5.256 29.144 -27.391 1.0 56.19 ? 25 LYS A CE 1 O49373 UNP 25 K +ATOM 201 N NZ . LYS A 1 25 ? 6.268 29.455 -28.436 1.0 56.19 ? 25 LYS A NZ 1 O49373 UNP 25 K +ATOM 202 N N . LYS A 1 26 ? 2.228 27.675 -22.650 1.0 55.06 ? 26 LYS A N 1 O49373 UNP 26 K +ATOM 203 C CA . LYS A 1 26 ? 1.496 26.396 -22.706 1.0 55.06 ? 26 LYS A CA 1 O49373 UNP 26 K +ATOM 204 C C . LYS A 1 26 ? 2.266 25.405 -23.600 1.0 55.06 ? 26 LYS A C 1 O49373 UNP 26 K +ATOM 205 C CB . LYS A 1 26 ? 0.057 26.580 -23.234 1.0 55.06 ? 26 LYS A CB 1 O49373 UNP 26 K +ATOM 206 O O . LYS A 1 26 ? 2.615 25.776 -24.728 1.0 55.06 ? 26 LYS A O 1 O49373 UNP 26 K +ATOM 207 C CG . LYS A 1 26 ? -0.909 27.211 -22.214 1.0 55.06 ? 26 LYS A CG 1 O49373 UNP 26 K +ATOM 208 C CD . LYS A 1 26 ? -2.338 27.300 -22.785 1.0 55.06 ? 26 LYS A CD 1 O49373 UNP 26 K +ATOM 209 C CE . LYS A 1 26 ? -3.323 27.909 -21.771 1.0 55.06 ? 26 LYS A CE 1 O49373 UNP 26 K +ATOM 210 N NZ . LYS A 1 26 ? -4.690 28.075 -22.340 1.0 55.06 ? 26 LYS A NZ 1 O49373 UNP 26 K +ATOM 211 N N . PRO A 1 27 ? 2.545 24.170 -23.141 1.0 54.86 ? 27 PRO A N 1 O49373 UNP 27 P +ATOM 212 C CA . PRO A 1 27 ? 3.186 23.168 -23.983 1.0 54.86 ? 27 PRO A CA 1 O49373 UNP 27 P +ATOM 213 C C . PRO A 1 27 ? 2.321 22.933 -25.227 1.0 54.86 ? 27 PRO A C 1 O49373 UNP 27 P +ATOM 214 C CB . PRO A 1 27 ? 3.343 21.916 -23.108 1.0 54.86 ? 27 PRO A CB 1 O49373 UNP 27 P +ATOM 215 O O . PRO A 1 27 ? 1.135 22.646 -25.112 1.0 54.86 ? 27 PRO A O 1 O49373 UNP 27 P +ATOM 216 C CG . PRO A 1 27 ? 2.282 22.086 -22.021 1.0 54.86 ? 27 PRO A CG 1 O49373 UNP 27 P +ATOM 217 C CD . PRO A 1 27 ? 2.165 23.600 -21.857 1.0 54.86 ? 27 PRO A CD 1 O49373 UNP 27 P +ATOM 218 N N . HIS A 1 28 ? 2.909 23.083 -26.414 1.0 47.21 ? 28 HIS A N 1 O49373 UNP 28 H +ATOM 219 C CA . HIS A 1 28 ? 2.246 22.841 -27.704 1.0 47.21 ? 28 HIS A CA 1 O49373 UNP 28 H +ATOM 220 C C . HIS A 1 28 ? 2.195 21.342 -28.065 1.0 47.21 ? 28 HIS A C 1 O49373 UNP 28 H +ATOM 221 C CB . HIS A 1 28 ? 2.897 23.724 -28.789 1.0 47.21 ? 28 HIS A CB 1 O49373 UNP 28 H +ATOM 222 O O . HIS A 1 28 ? 2.196 20.975 -29.232 1.0 47.21 ? 28 HIS A O 1 O49373 UNP 28 H +ATOM 223 C CG . HIS A 1 28 ? 2.218 25.058 -28.956 1.0 47.21 ? 28 HIS A CG 1 O49373 UNP 28 H +ATOM 224 C CD2 . HIS A 1 28 ? 1.772 25.586 -30.139 1.0 47.21 ? 28 HIS A CD2 1 O49373 UNP 28 H +ATOM 225 N ND1 . HIS A 1 28 ? 1.864 25.936 -27.953 1.0 47.21 ? 28 HIS A ND1 1 O49373 UNP 28 H +ATOM 226 C CE1 . HIS A 1 28 ? 1.212 26.964 -28.524 1.0 47.21 ? 28 HIS A CE1 1 O49373 UNP 28 H +ATOM 227 N NE2 . HIS A 1 28 ? 1.156 26.805 -29.851 1.0 47.21 ? 28 HIS A NE2 1 O49373 UNP 28 H +ATOM 228 N N . GLY A 1 29 ? 2.175 20.444 -27.078 1.0 56.92 ? 29 GLY A N 1 O49373 UNP 29 G +ATOM 229 C CA . GLY A 1 29 ? 2.244 19.008 -27.327 1.0 56.92 ? 29 GLY A CA 1 O49373 UNP 29 G +ATOM 230 C C . GLY A 1 29 ? 1.657 18.171 -26.200 1.0 56.92 ? 29 GLY A C 1 O49373 UNP 29 G +ATOM 231 O O . GLY A 1 29 ? 1.526 18.625 -25.064 1.0 56.92 ? 29 GLY A O 1 O49373 UNP 29 G +ATOM 232 N N . ARG A 1 30 ? 1.321 16.925 -26.549 1.0 67.31 ? 30 ARG A N 1 O49373 UNP 30 R +ATOM 233 C CA . ARG A 1 30 ? 0.804 15.884 -25.645 1.0 67.31 ? 30 ARG A CA 1 O49373 UNP 30 R +ATOM 234 C C . ARG A 1 30 ? 1.780 15.519 -24.515 1.0 67.31 ? 30 ARG A C 1 O49373 UNP 30 R +ATOM 235 C CB . ARG A 1 30 ? 0.466 14.646 -26.499 1.0 67.31 ? 30 ARG A CB 1 O49373 UNP 30 R +ATOM 236 O O . ARG A 1 30 ? 1.346 15.115 -23.442 1.0 67.31 ? 30 ARG A O 1 O49373 UNP 30 R +ATOM 237 C CG . ARG A 1 30 ? -0.934 14.726 -27.139 1.0 67.31 ? 30 ARG A CG 1 O49373 UNP 30 R +ATOM 238 C CD . ARG A 1 30 ? -1.241 13.476 -27.980 1.0 67.31 ? 30 ARG A CD 1 O49373 UNP 30 R +ATOM 239 N NE . ARG A 1 30 ? -2.542 13.565 -28.677 1.0 67.31 ? 30 ARG A NE 1 O49373 UNP 30 R +ATOM 240 N NH1 . ARG A 1 30 ? -2.638 11.380 -29.408 1.0 67.31 ? 30 ARG A NH1 1 O49373 UNP 30 R +ATOM 241 N NH2 . ARG A 1 30 ? -4.249 12.802 -29.989 1.0 67.31 ? 30 ARG A NH2 1 O49373 UNP 30 R +ATOM 242 C CZ . ARG A 1 30 ? -3.133 12.586 -29.349 1.0 67.31 ? 30 ARG A CZ 1 O49373 UNP 30 R +ATOM 243 N N . TYR A 1 31 ? 3.077 15.707 -24.743 1.0 75.08 ? 31 TYR A N 1 O49373 UNP 31 Y +ATOM 244 C CA . TYR A 1 31 ? 4.153 15.322 -23.831 1.0 75.08 ? 31 TYR A CA 1 O49373 UNP 31 Y +ATOM 245 C C . TYR A 1 31 ? 4.694 16.505 -23.013 1.0 75.08 ? 31 TYR A C 1 O49373 UNP 31 Y +ATOM 246 C CB . TYR A 1 31 ? 5.258 14.648 -24.650 1.0 75.08 ? 31 TYR A CB 1 O49373 UNP 31 Y +ATOM 247 O O . TYR A 1 31 ? 4.684 17.645 -23.492 1.0 75.08 ? 31 TYR A O 1 O49373 UNP 31 Y +ATOM 248 C CG . TYR A 1 31 ? 4.801 13.343 -25.267 1.0 75.08 ? 31 TYR A CG 1 O49373 UNP 31 Y +ATOM 249 C CD1 . TYR A 1 31 ? 4.710 12.199 -24.454 1.0 75.08 ? 31 TYR A CD1 1 O49373 UNP 31 Y +ATOM 250 C CD2 . TYR A 1 31 ? 4.438 13.270 -26.628 1.0 75.08 ? 31 TYR A CD2 1 O49373 UNP 31 Y +ATOM 251 C CE1 . TYR A 1 31 ? 4.296 10.979 -25.009 1.0 75.08 ? 31 TYR A CE1 1 O49373 UNP 31 Y +ATOM 252 C CE2 . TYR A 1 31 ? 3.996 12.048 -27.178 1.0 75.08 ? 31 TYR A CE2 1 O49373 UNP 31 Y +ATOM 253 O OH . TYR A 1 31 ? 3.541 9.694 -26.856 1.0 75.08 ? 31 TYR A OH 1 O49373 UNP 31 Y +ATOM 254 C CZ . TYR A 1 31 ? 3.933 10.895 -26.364 1.0 75.08 ? 31 TYR A CZ 1 O49373 UNP 31 Y +ATOM 255 N N . PRO A 1 32 ? 5.209 16.265 -21.788 1.0 79.46 ? 32 PRO A N 1 O49373 UNP 32 P +ATOM 256 C CA . PRO A 1 32 ? 5.905 17.296 -21.028 1.0 79.46 ? 32 PRO A CA 1 O49373 UNP 32 P +ATOM 257 C C . PRO A 1 32 ? 7.107 17.821 -21.814 1.0 79.46 ? 32 PRO A C 1 O49373 UNP 32 P +ATOM 258 C CB . PRO A 1 32 ? 6.332 16.648 -19.710 1.0 79.46 ? 32 PRO A CB 1 O49373 UNP 32 P +ATOM 259 O O . PRO A 1 32 ? 7.868 17.069 -22.424 1.0 79.46 ? 32 PRO A O 1 O49373 UNP 32 P +ATOM 260 C CG . PRO A 1 32 ? 6.420 15.168 -20.063 1.0 79.46 ? 32 PRO A CG 1 O49373 UNP 32 P +ATOM 261 C CD . PRO A 1 32 ? 5.320 14.981 -21.105 1.0 79.46 ? 32 PRO A CD 1 O49373 UNP 32 P +ATOM 262 N N . ARG A 1 33 ? 7.294 19.142 -21.783 1.0 79.48 ? 33 ARG A N 1 O49373 UNP 33 R +ATOM 263 C CA . ARG A 1 33 ? 8.394 19.796 -22.490 1.0 79.48 ? 33 ARG A CA 1 O49373 UNP 33 R +ATOM 264 C C . ARG A 1 33 ? 9.739 19.348 -21.912 1.0 79.48 ? 33 ARG A C 1 O49373 UNP 33 R +ATOM 265 C CB . ARG A 1 33 ? 8.196 21.314 -22.428 1.0 79.48 ? 33 ARG A CB 1 O49373 UNP 33 R +ATOM 266 O O . ARG A 1 33 ? 9.968 19.484 -20.712 1.0 79.48 ? 33 ARG A O 1 O49373 UNP 33 R +ATOM 267 C CG . ARG A 1 33 ? 9.179 22.052 -23.341 1.0 79.48 ? 33 ARG A CG 1 O49373 UNP 33 R +ATOM 268 C CD . ARG A 1 33 ? 8.771 23.522 -23.424 1.0 79.48 ? 33 ARG A CD 1 O49373 UNP 33 R +ATOM 269 N NE . ARG A 1 33 ? 9.629 24.264 -24.357 1.0 79.48 ? 33 ARG A NE 1 O49373 UNP 33 R +ATOM 270 N NH1 . ARG A 1 33 ? 8.565 26.291 -24.165 1.0 79.48 ? 33 ARG A NH1 1 O49373 UNP 33 R +ATOM 271 N NH2 . ARG A 1 33 ? 10.249 26.037 -25.620 1.0 79.48 ? 33 ARG A NH2 1 O49373 UNP 33 R +ATOM 272 C CZ . ARG A 1 33 ? 9.479 25.526 -24.704 1.0 79.48 ? 33 ARG A CZ 1 O49373 UNP 33 R +ATOM 273 N N . ASN A 1 34 ? 10.623 18.858 -22.776 1.0 83.59 ? 34 ASN A N 1 O49373 UNP 34 N +ATOM 274 C CA . ASN A 1 34 ? 11.973 18.441 -22.411 1.0 83.59 ? 34 ASN A CA 1 O49373 UNP 34 N +ATOM 275 C C . ASN A 1 34 ? 12.956 19.617 -22.560 1.0 83.59 ? 34 ASN A C 1 O49373 UNP 34 N +ATOM 276 C CB . ASN A 1 34 ? 12.343 17.219 -23.270 1.0 83.59 ? 34 ASN A CB 1 O49373 UNP 34 N +ATOM 277 O O . ASN A 1 34 ? 13.343 19.978 -23.670 1.0 83.59 ? 34 ASN A O 1 O49373 UNP 34 N +ATOM 278 C CG . ASN A 1 34 ? 13.619 16.543 -22.807 1.0 83.59 ? 34 ASN A CG 1 O49373 UNP 34 N +ATOM 279 N ND2 . ASN A 1 34 ? 14.111 15.588 -23.560 1.0 83.59 ? 34 ASN A ND2 1 O49373 UNP 34 N +ATOM 280 O OD1 . ASN A 1 34 ? 14.166 16.830 -21.756 1.0 83.59 ? 34 ASN A OD1 1 O49373 UNP 34 N +ATOM 281 N N . TRP A 1 35 ? 13.314 20.256 -21.446 1.0 81.25 ? 35 TRP A N 1 O49373 UNP 35 W +ATOM 282 C CA . TRP A 1 35 ? 14.231 21.398 -21.397 1.0 81.25 ? 35 TRP A CA 1 O49373 UNP 35 W +ATOM 283 C C . TRP A 1 35 ? 15.707 20.981 -21.589 1.0 81.25 ? 35 TRP A C 1 O49373 UNP 35 W +ATOM 284 C CB . TRP A 1 35 ? 14.024 22.126 -20.059 1.0 81.25 ? 35 TRP A CB 1 O49373 UNP 35 W +ATOM 285 O O . TRP A 1 35 ? 16.091 19.901 -21.148 1.0 81.25 ? 35 TRP A O 1 O49373 UNP 35 W +ATOM 286 C CG . TRP A 1 35 ? 12.663 22.724 -19.878 1.0 81.25 ? 35 TRP A CG 1 O49373 UNP 35 W +ATOM 287 C CD1 . TRP A 1 35 ? 11.573 22.174 -19.288 1.0 81.25 ? 35 TRP A CD1 1 O49373 UNP 35 W +ATOM 288 C CD2 . TRP A 1 35 ? 12.206 23.998 -20.384 1.0 81.25 ? 35 TRP A CD2 1 O49373 UNP 35 W +ATOM 289 C CE2 . TRP A 1 35 ? 10.816 24.127 -20.098 1.0 81.25 ? 35 TRP A CE2 1 O49373 UNP 35 W +ATOM 290 C CE3 . TRP A 1 35 ? 12.827 25.013 -21.125 1.0 81.25 ? 35 TRP A CE3 1 O49373 UNP 35 W +ATOM 291 N NE1 . TRP A 1 35 ? 10.492 23.011 -19.385 1.0 81.25 ? 35 TRP A NE1 1 O49373 UNP 35 W +ATOM 292 C CH2 . TRP A 1 35 ? 10.659 26.074 -21.446 1.0 81.25 ? 35 TRP A CH2 1 O49373 UNP 35 W +ATOM 293 C CZ2 . TRP A 1 35 ? 10.047 25.176 -20.575 1.0 81.25 ? 35 TRP A CZ2 1 O49373 UNP 35 W +ATOM 294 C CZ3 . TRP A 1 35 ? 12.048 26.028 -21.683 1.0 81.25 ? 35 TRP A CZ3 1 O49373 UNP 35 W +ATOM 295 N N . PRO A 1 36 ? 16.594 21.829 -22.149 1.0 79.74 ? 36 PRO A N 1 O49373 UNP 36 P +ATOM 296 C CA . PRO A 1 36 ? 17.997 21.451 -22.376 1.0 79.74 ? 36 PRO A CA 1 O49373 UNP 36 P +ATOM 297 C C . PRO A 1 36 ? 18.771 21.036 -21.109 1.0 79.74 ? 36 PRO A C 1 O49373 UNP 36 P +ATOM 298 C CB . PRO A 1 36 ? 18.640 22.673 -23.043 1.0 79.74 ? 36 PRO A CB 1 O49373 UNP 36 P +ATOM 299 O O . PRO A 1 36 ? 19.531 20.067 -21.138 1.0 79.74 ? 36 PRO A O 1 O49373 UNP 36 P +ATOM 300 C CG . PRO A 1 36 ? 17.468 23.351 -23.749 1.0 79.74 ? 36 PRO A CG 1 O49373 UNP 36 P +ATOM 301 C CD . PRO A 1 36 ? 16.297 23.097 -22.802 1.0 79.74 ? 36 PRO A CD 1 O49373 UNP 36 P +ATOM 302 N N . VAL A 1 37 ? 18.565 21.756 -19.997 1.0 83.00 ? 37 VAL A N 1 O49373 UNP 37 V +ATOM 303 C CA . VAL A 1 37 ? 19.261 21.523 -18.713 1.0 83.00 ? 37 VAL A CA 1 O49373 UNP 37 V +ATOM 304 C C . VAL A 1 37 ? 18.342 20.826 -17.710 1.0 83.00 ? 37 VAL A C 1 O49373 UNP 37 V +ATOM 305 C CB . VAL A 1 37 ? 19.824 22.840 -18.135 1.0 83.00 ? 37 VAL A CB 1 O49373 UNP 37 V +ATOM 306 O O . VAL A 1 37 ? 18.651 19.735 -17.233 1.0 83.00 ? 37 VAL A O 1 O49373 UNP 37 V +ATOM 307 C CG1 . VAL A 1 37 ? 20.560 22.611 -16.809 1.0 83.00 ? 37 VAL A CG1 1 O49373 UNP 37 V +ATOM 308 C CG2 . VAL A 1 37 ? 20.803 23.506 -19.110 1.0 83.00 ? 37 VAL A CG2 1 O49373 UNP 37 V +ATOM 309 N N . LEU A 1 38 ? 17.182 21.430 -17.434 1.0 83.90 ? 38 LEU A N 1 O49373 UNP 38 L +ATOM 310 C CA . LEU A 1 38 ? 16.216 20.931 -16.449 1.0 83.90 ? 38 LEU A CA 1 O49373 UNP 38 L +ATOM 311 C C . LEU A 1 38 ? 15.379 19.738 -16.951 1.0 83.90 ? 38 LEU A C 1 O49373 UNP 38 L +ATOM 312 C CB . LEU A 1 38 ? 15.321 22.095 -15.975 1.0 83.90 ? 38 LEU A CB 1 O49373 UNP 38 L +ATOM 313 O O . LEU A 1 38 ? 14.627 19.155 -16.171 1.0 83.90 ? 38 LEU A O 1 O49373 UNP 38 L +ATOM 314 C CG . LEU A 1 38 ? 16.057 23.254 -15.274 1.0 83.90 ? 38 LEU A CG 1 O49373 UNP 38 L +ATOM 315 C CD1 . LEU A 1 38 ? 15.057 24.352 -14.910 1.0 83.90 ? 38 LEU A CD1 1 O49373 UNP 38 L +ATOM 316 C CD2 . LEU A 1 38 ? 16.757 22.797 -13.992 1.0 83.90 ? 38 LEU A CD2 1 O49373 UNP 38 L +ATOM 317 N N . ARG A 1 39 ? 15.503 19.369 -18.235 1.0 90.06 ? 39 ARG A N 1 O49373 UNP 39 R +ATOM 318 C CA . ARG A 1 39 ? 14.750 18.287 -18.892 1.0 90.06 ? 39 ARG A CA 1 O49373 UNP 39 R +ATOM 319 C C . ARG A 1 39 ? 13.264 18.338 -18.556 1.0 90.06 ? 39 ARG A C 1 O49373 UNP 39 R +ATOM 320 C CB . ARG A 1 39 ? 15.465 16.955 -18.686 1.0 90.06 ? 39 ARG A CB 1 O49373 UNP 39 R +ATOM 321 O O . ARG A 1 39 ? 12.680 19.386 -18.760 1.0 90.06 ? 39 ARG A O 1 O49373 UNP 39 R +ATOM 322 C CG . ARG A 1 39 ? 16.776 16.885 -19.492 1.0 90.06 ? 39 ARG A CG 1 O49373 UNP 39 R +ATOM 323 C CD . ARG A 1 39 ? 17.530 15.642 -19.034 1.0 90.06 ? 39 ARG A CD 1 O49373 UNP 39 R +ATOM 324 N NE . ARG A 1 39 ? 18.453 15.045 -20.005 1.0 90.06 ? 39 ARG A NE 1 O49373 UNP 39 R +ATOM 325 N NH1 . ARG A 1 39 ? 18.481 12.961 -18.996 1.0 90.06 ? 39 ARG A NH1 1 O49373 UNP 39 R +ATOM 326 N NH2 . ARG A 1 39 ? 19.813 13.365 -20.731 1.0 90.06 ? 39 ARG A NH2 1 O49373 UNP 39 R +ATOM 327 C CZ . ARG A 1 39 ? 18.906 13.801 -19.905 1.0 90.06 ? 39 ARG A CZ 1 O49373 UNP 39 R +ATOM 328 N N . MET A 1 40 ? 12.611 17.283 -18.087 1.0 92.50 ? 40 MET A N 1 O49373 UNP 40 M +ATOM 329 C CA . MET A 1 40 ? 11.161 17.287 -17.832 1.0 92.50 ? 40 MET A CA 1 O49373 UNP 40 M +ATOM 330 C C . MET A 1 40 ? 10.787 17.718 -16.401 1.0 92.50 ? 40 MET A C 1 O49373 UNP 40 M +ATOM 331 C CB . MET A 1 40 ? 10.585 15.912 -18.187 1.0 92.50 ? 40 MET A CB 1 O49373 UNP 40 M +ATOM 332 O O . MET A 1 40 ? 9.600 17.806 -16.077 1.0 92.50 ? 40 MET A O 1 O49373 UNP 40 M +ATOM 333 C CG . MET A 1 40 ? 10.737 15.577 -19.674 1.0 92.50 ? 40 MET A CG 1 O49373 UNP 40 M +ATOM 334 S SD . MET A 1 40 ? 10.255 13.872 -20.025 1.0 92.50 ? 40 MET A SD 1 O49373 UNP 40 M +ATOM 335 C CE . MET A 1 40 ? 10.365 13.862 -21.832 1.0 92.50 ? 40 MET A CE 1 O49373 UNP 40 M +ATOM 336 N N . LEU A 1 41 ? 11.767 18.031 -15.542 1.0 88.32 ? 41 LEU A N 1 O49373 UNP 41 L +ATOM 337 C CA . LEU A 1 41 ? 11.537 18.355 -14.128 1.0 88.32 ? 41 LEU A CA 1 O49373 UNP 41 L +ATOM 338 C C . LEU A 1 41 ? 10.568 19.532 -13.902 1.0 88.32 ? 41 LEU A C 1 O49373 UNP 41 L +ATOM 339 C CB . LEU A 1 41 ? 12.890 18.561 -13.418 1.0 88.32 ? 41 LEU A CB 1 O49373 UNP 41 L +ATOM 340 O O . LEU A 1 41 ? 9.680 19.382 -13.065 1.0 88.32 ? 41 LEU A O 1 O49373 UNP 41 L +ATOM 341 C CG . LEU A 1 41 ? 12.802 18.886 -11.914 1.0 88.32 ? 41 LEU A CG 1 O49373 UNP 41 L +ATOM 342 C CD1 . LEU A 1 41 ? 12.169 17.748 -11.121 1.0 88.32 ? 41 LEU A CD1 1 O49373 UNP 41 L +ATOM 343 C CD2 . LEU A 1 41 ? 14.188 19.138 -11.329 1.0 88.32 ? 41 LEU A CD2 1 O49373 UNP 41 L +ATOM 344 N N . PRO A 1 42 ? 10.635 20.665 -14.633 1.0 87.80 ? 42 PRO A N 1 O49373 UNP 42 P +ATOM 345 C CA . PRO A 1 42 ? 9.719 21.784 -14.395 1.0 87.80 ? 42 PRO A CA 1 O49373 UNP 42 P +ATOM 346 C C . PRO A 1 42 ? 8.247 21.422 -14.631 1.0 87.80 ? 42 PRO A C 1 O49373 UNP 42 P +ATOM 347 C CB . PRO A 1 42 ? 10.175 22.899 -15.344 1.0 87.80 ? 42 PRO A CB 1 O49373 UNP 42 P +ATOM 348 O O . PRO A 1 42 ? 7.372 21.860 -13.886 1.0 87.80 ? 42 PRO A O 1 O49373 UNP 42 P +ATOM 349 C CG . PRO A 1 42 ? 11.649 22.583 -15.578 1.0 87.80 ? 42 PRO A CG 1 O49373 UNP 42 P +ATOM 350 C CD . PRO A 1 42 ? 11.655 21.058 -15.595 1.0 87.80 ? 42 PRO A CD 1 O49373 UNP 42 P +ATOM 351 N N . ALA A 1 43 ? 7.969 20.596 -15.647 1.0 87.03 ? 43 ALA A N 1 O49373 UNP 43 A +ATOM 352 C CA . ALA A 1 43 ? 6.614 20.128 -15.932 1.0 87.03 ? 43 ALA A CA 1 O49373 UNP 43 A +ATOM 353 C C . ALA A 1 43 ? 6.091 19.232 -14.799 1.0 87.03 ? 43 ALA A C 1 O49373 UNP 43 A +ATOM 354 C CB . ALA A 1 43 ? 6.614 19.402 -17.283 1.0 87.03 ? 43 ALA A CB 1 O49373 UNP 43 A +ATOM 355 O O . ALA A 1 43 ? 4.956 19.401 -14.357 1.0 87.03 ? 43 ALA A O 1 O49373 UNP 43 A +ATOM 356 N N . MET A 1 44 ? 6.946 18.347 -14.284 1.0 88.09 ? 44 MET A N 1 O49373 UNP 44 M +ATOM 357 C CA . MET A 1 44 ? 6.628 17.484 -13.150 1.0 88.09 ? 44 MET A CA 1 O49373 UNP 44 M +ATOM 358 C C . MET A 1 44 ? 6.400 18.282 -11.858 1.0 88.09 ? 44 MET A C 1 O49373 UNP 44 M +ATOM 359 C CB . MET A 1 44 ? 7.753 16.458 -13.000 1.0 88.09 ? 44 MET A CB 1 O49373 UNP 44 M +ATOM 360 O O . MET A 1 44 ? 5.403 18.053 -11.185 1.0 88.09 ? 44 MET A O 1 O49373 UNP 44 M +ATOM 361 C CG . MET A 1 44 ? 7.461 15.416 -11.920 1.0 88.09 ? 44 MET A CG 1 O49373 UNP 44 M +ATOM 362 S SD . MET A 1 44 ? 8.731 14.133 -11.813 1.0 88.09 ? 44 MET A SD 1 O49373 UNP 44 M +ATOM 363 C CE . MET A 1 44 ? 10.149 15.118 -11.271 1.0 88.09 ? 44 MET A CE 1 O49373 UNP 44 M +ATOM 364 N N . LEU A 1 45 ? 7.252 19.265 -11.538 1.0 88.77 ? 45 LEU A N 1 O49373 UNP 45 L +ATOM 365 C CA . LEU A 1 45 ? 7.085 20.118 -10.351 1.0 88.77 ? 45 LEU A CA 1 O49373 UNP 45 L +ATOM 366 C C . LEU A 1 45 ? 5.788 20.937 -10.409 1.0 88.77 ? 45 LEU A C 1 O49373 UNP 45 L +ATOM 367 C CB . LEU A 1 45 ? 8.299 21.050 -10.189 1.0 88.77 ? 45 LEU A CB 1 O49373 UNP 45 L +ATOM 368 O O . LEU A 1 45 ? 5.070 21.027 -9.417 1.0 88.77 ? 45 LEU A O 1 O49373 UNP 45 L +ATOM 369 C CG . LEU A 1 45 ? 9.610 20.353 -9.782 1.0 88.77 ? 45 LEU A CG 1 O49373 UNP 45 L +ATOM 370 C CD1 . LEU A 1 45 ? 10.738 21.385 -9.755 1.0 88.77 ? 45 LEU A CD1 1 O49373 UNP 45 L +ATOM 371 C CD2 . LEU A 1 45 ? 9.529 19.688 -8.407 1.0 88.77 ? 45 LEU A CD2 1 O49373 UNP 45 L +ATOM 372 N N . LYS A 1 46 ? 5.432 21.473 -11.584 1.0 88.31 ? 46 LYS A N 1 O49373 UNP 46 K +ATOM 373 C CA . LYS A 1 46 ? 4.153 22.174 -11.790 1.0 88.31 ? 46 LYS A CA 1 O49373 UNP 46 K +ATOM 374 C C . LYS A 1 46 ? 2.949 21.249 -11.572 1.0 88.31 ? 46 LYS A C 1 O49373 UNP 46 K +ATOM 375 C CB . LYS A 1 46 ? 4.158 22.790 -13.196 1.0 88.31 ? 46 LYS A CB 1 O49373 UNP 46 K +ATOM 376 O O . LYS A 1 46 ? 1.922 21.681 -11.049 1.0 88.31 ? 46 LYS A O 1 O49373 UNP 46 K +ATOM 377 C CG . LYS A 1 46 ? 2.946 23.698 -13.451 1.0 88.31 ? 46 LYS A CG 1 O49373 UNP 46 K +ATOM 378 C CD . LYS A 1 46 ? 3.083 24.393 -14.812 1.0 88.31 ? 46 LYS A CD 1 O49373 UNP 46 K +ATOM 379 C CE . LYS A 1 46 ? 1.939 25.388 -15.034 1.0 88.31 ? 46 LYS A CE 1 O49373 UNP 46 K +ATOM 380 N NZ . LYS A 1 46 ? 2.184 26.230 -16.234 1.0 88.31 ? 46 LYS A NZ 1 O49373 UNP 46 K +ATOM 381 N N . ALA A 1 47 ? 3.081 19.982 -11.958 1.0 90.44 ? 47 ALA A N 1 O49373 UNP 47 A +ATOM 382 C CA . ALA A 1 47 ? 2.050 18.964 -11.804 1.0 90.44 ? 47 ALA A CA 1 O49373 UNP 47 A +ATOM 383 C C . ALA A 1 47 ? 2.083 18.235 -10.449 1.0 90.44 ? 47 ALA A C 1 O49373 UNP 47 A +ATOM 384 C CB . ALA A 1 47 ? 2.166 17.992 -12.978 1.0 90.44 ? 47 ALA A CB 1 O49373 UNP 47 A +ATOM 385 O O . ALA A 1 47 ? 1.199 17.422 -10.199 1.0 90.44 ? 47 ALA A O 1 O49373 UNP 47 A +ATOM 386 N N . LEU A 1 48 ? 3.044 18.530 -9.562 1.0 89.83 ? 48 LEU A N 1 O49373 UNP 48 L +ATOM 387 C CA . LEU A 1 48 ? 3.284 17.764 -8.333 1.0 89.83 ? 48 LEU A CA 1 O49373 UNP 48 L +ATOM 388 C C . LEU A 1 48 ? 2.036 17.663 -7.444 1.0 89.83 ? 48 LEU A C 1 O49373 UNP 48 L +ATOM 389 C CB . LEU A 1 48 ? 4.470 18.400 -7.585 1.0 89.83 ? 48 LEU A CB 1 O49373 UNP 48 L +ATOM 390 O O . LEU A 1 48 ? 1.701 16.588 -6.967 1.0 89.83 ? 48 LEU A O 1 O49373 UNP 48 L +ATOM 391 C CG . LEU A 1 48 ? 4.879 17.670 -6.292 1.0 89.83 ? 48 LEU A CG 1 O49373 UNP 48 L +ATOM 392 C CD1 . LEU A 1 48 ? 5.315 16.231 -6.558 1.0 89.83 ? 48 LEU A CD1 1 O49373 UNP 48 L +ATOM 393 C CD2 . LEU A 1 48 ? 6.043 18.408 -5.630 1.0 89.83 ? 48 LEU A CD2 1 O49373 UNP 48 L +ATOM 394 N N . HIS A 1 49 ? 1.287 18.757 -7.302 1.0 89.65 ? 49 HIS A N 1 O49373 UNP 49 H +ATOM 395 C CA . HIS A 1 49 ? 0.045 18.803 -6.520 1.0 89.65 ? 49 HIS A CA 1 O49373 UNP 49 H +ATOM 396 C C . HIS A 1 49 ? -1.120 17.967 -7.099 1.0 89.65 ? 49 HIS A C 1 O49373 UNP 49 H +ATOM 397 C CB . HIS A 1 49 ? -0.358 20.273 -6.332 1.0 89.65 ? 49 HIS A CB 1 O49373 UNP 49 H +ATOM 398 O O . HIS A 1 49 ? -2.148 17.830 -6.443 1.0 89.65 ? 49 HIS A O 1 O49373 UNP 49 H +ATOM 399 C CG . HIS A 1 49 ? -0.909 20.914 -7.584 1.0 89.65 ? 49 HIS A CG 1 O49373 UNP 49 H +ATOM 400 C CD2 . HIS A 1 49 ? -2.234 21.119 -7.857 1.0 89.65 ? 49 HIS A CD2 1 O49373 UNP 49 H +ATOM 401 N ND1 . HIS A 1 49 ? -0.201 21.356 -8.681 1.0 89.65 ? 49 HIS A ND1 1 O49373 UNP 49 H +ATOM 402 C CE1 . HIS A 1 49 ? -1.082 21.794 -9.593 1.0 89.65 ? 49 HIS A CE1 1 O49373 UNP 49 H +ATOM 403 N NE2 . HIS A 1 49 ? -2.343 21.660 -9.145 1.0 89.65 ? 49 HIS A NE2 1 O49373 UNP 49 H +ATOM 404 N N . ARG A 1 50 ? -0.981 17.438 -8.323 1.0 91.78 ? 50 ARG A N 1 O49373 UNP 50 R +ATOM 405 C CA . ARG A 1 50 ? -1.913 16.514 -9.000 1.0 91.78 ? 50 ARG A CA 1 O49373 UNP 50 R +ATOM 406 C C . ARG A 1 50 ? -1.151 15.336 -9.617 1.0 91.78 ? 50 ARG A C 1 O49373 UNP 50 R +ATOM 407 C CB . ARG A 1 50 ? -2.742 17.242 -10.076 1.0 91.78 ? 50 ARG A CB 1 O49373 UNP 50 R +ATOM 408 O O . ARG A 1 50 ? -1.530 14.847 -10.678 1.0 91.78 ? 50 ARG A O 1 O49373 UNP 50 R +ATOM 409 C CG . ARG A 1 50 ? -3.679 18.310 -9.514 1.0 91.78 ? 50 ARG A CG 1 O49373 UNP 50 R +ATOM 410 C CD . ARG A 1 50 ? -4.416 19.006 -10.661 1.0 91.78 ? 50 ARG A CD 1 O49373 UNP 50 R +ATOM 411 N NE . ARG A 1 50 ? -5.051 20.259 -10.217 1.0 91.78 ? 50 ARG A NE 1 O49373 UNP 50 R +ATOM 412 N NH1 . ARG A 1 50 ? -6.670 20.374 -11.840 1.0 91.78 ? 50 ARG A NH1 1 O49373 UNP 50 R +ATOM 413 N NH2 . ARG A 1 50 ? -6.584 21.947 -10.265 1.0 91.78 ? 50 ARG A NH2 1 O49373 UNP 50 R +ATOM 414 C CZ . ARG A 1 50 ? -6.094 20.850 -10.771 1.0 91.78 ? 50 ARG A CZ 1 O49373 UNP 50 R +ATOM 415 N N . ILE A 1 51 ? -0.043 14.914 -9.001 1.0 93.29 ? 51 ILE A N 1 O49373 UNP 51 I +ATOM 416 C CA . ILE A 1 51 ? 0.894 13.966 -9.619 1.0 93.29 ? 51 ILE A CA 1 O49373 UNP 51 I +ATOM 417 C C . ILE A 1 51 ? 0.228 12.641 -10.009 1.0 93.29 ? 51 ILE A C 1 O49373 UNP 51 I +ATOM 418 C CB . ILE A 1 51 ? 2.119 13.750 -8.707 1.0 93.29 ? 51 ILE A CB 1 O49373 UNP 51 I +ATOM 419 O O . ILE A 1 51 ? 0.546 12.085 -11.058 1.0 93.29 ? 51 ILE A O 1 O49373 UNP 51 I +ATOM 420 C CG1 . ILE A 1 51 ? 3.253 12.965 -9.394 1.0 93.29 ? 51 ILE A CG1 1 O49373 UNP 51 I +ATOM 421 C CG2 . ILE A 1 51 ? 1.759 13.065 -7.375 1.0 93.29 ? 51 ILE A CG2 1 O49373 UNP 51 I +ATOM 422 C CD1 . ILE A 1 51 ? 3.817 13.649 -10.647 1.0 93.29 ? 51 ILE A CD1 1 O49373 UNP 51 I +ATOM 423 N N . TYR A 1 52 ? -0.742 12.176 -9.220 1.0 95.32 ? 52 TYR A N 1 O49373 UNP 52 Y +ATOM 424 C CA . TYR A 1 52 ? -1.474 10.940 -9.479 1.0 95.32 ? 52 TYR A CA 1 O49373 UNP 52 Y +ATOM 425 C C . TYR A 1 52 ? -2.329 11.036 -10.751 1.0 95.32 ? 52 TYR A C 1 O49373 UNP 52 Y +ATOM 426 C CB . TYR A 1 52 ? -2.299 10.583 -8.237 1.0 95.32 ? 52 TYR A CB 1 O49373 UNP 52 Y +ATOM 427 O O . TYR A 1 52 ? -2.123 10.258 -11.681 1.0 95.32 ? 52 TYR A O 1 O49373 UNP 52 Y +ATOM 428 C CG . TYR A 1 52 ? -1.498 10.498 -6.954 1.0 95.32 ? 52 TYR A CG 1 O49373 UNP 52 Y +ATOM 429 C CD1 . TYR A 1 52 ? -0.429 9.584 -6.838 1.0 95.32 ? 52 TYR A CD1 1 O49373 UNP 52 Y +ATOM 430 C CD2 . TYR A 1 52 ? -1.826 11.339 -5.876 1.0 95.32 ? 52 TYR A CD2 1 O49373 UNP 52 Y +ATOM 431 C CE1 . TYR A 1 52 ? 0.320 9.521 -5.645 1.0 95.32 ? 52 TYR A CE1 1 O49373 UNP 52 Y +ATOM 432 C CE2 . TYR A 1 52 ? -1.082 11.270 -4.687 1.0 95.32 ? 52 TYR A CE2 1 O49373 UNP 52 Y +ATOM 433 O OH . TYR A 1 52 ? 0.685 10.322 -3.398 1.0 95.32 ? 52 TYR A OH 1 O49373 UNP 52 Y +ATOM 434 C CZ . TYR A 1 52 ? -0.015 10.359 -4.561 1.0 95.32 ? 52 TYR A CZ 1 O49373 UNP 52 Y +ATOM 435 N N . ASP A 1 53 ? -3.198 12.042 -10.870 1.0 94.79 ? 53 ASP A N 1 O49373 UNP 53 D +ATOM 436 C CA . ASP A 1 53 ? -4.012 12.247 -12.080 1.0 94.79 ? 53 ASP A CA 1 O49373 UNP 53 D +ATOM 437 C C . ASP A 1 53 ? -3.152 12.632 -13.294 1.0 94.79 ? 53 ASP A C 1 O49373 UNP 53 D +ATOM 438 C CB . ASP A 1 53 ? -5.056 13.342 -11.832 1.0 94.79 ? 53 ASP A CB 1 O49373 UNP 53 D +ATOM 439 O O . ASP A 1 53 ? -3.430 12.247 -14.431 1.0 94.79 ? 53 ASP A O 1 O49373 UNP 53 D +ATOM 440 C CG . ASP A 1 53 ? -5.986 13.042 -10.655 1.0 94.79 ? 53 ASP A CG 1 O49373 UNP 53 D +ATOM 441 O OD1 . ASP A 1 53 ? -6.286 11.846 -10.418 1.0 94.79 ? 53 ASP A OD1 1 O49373 UNP 53 D +ATOM 442 O OD2 . ASP A 1 53 ? -6.334 14.036 -9.982 1.0 94.79 ? 53 ASP A OD2 1 O49373 UNP 53 D +ATOM 443 N N . TYR A 1 54 ? -2.057 13.362 -13.064 1.0 94.46 ? 54 TYR A N 1 O49373 UNP 54 Y +ATOM 444 C CA . TYR A 1 54 ? -1.088 13.676 -14.109 1.0 94.46 ? 54 TYR A CA 1 O49373 UNP 54 Y +ATOM 445 C C . TYR A 1 54 ? -0.406 12.416 -14.651 1.0 94.46 ? 54 TYR A C 1 O49373 UNP 54 Y +ATOM 446 C CB . TYR A 1 54 ? -0.060 14.671 -13.566 1.0 94.46 ? 54 TYR A CB 1 O49373 UNP 54 Y +ATOM 447 O O . TYR A 1 54 ? -0.219 12.302 -15.863 1.0 94.46 ? 54 TYR A O 1 O49373 UNP 54 Y +ATOM 448 C CG . TYR A 1 54 ? 0.893 15.196 -14.618 1.0 94.46 ? 54 TYR A CG 1 O49373 UNP 54 Y +ATOM 449 C CD1 . TYR A 1 54 ? 2.276 14.954 -14.514 1.0 94.46 ? 54 TYR A CD1 1 O49373 UNP 54 Y +ATOM 450 C CD2 . TYR A 1 54 ? 0.389 15.967 -15.682 1.0 94.46 ? 54 TYR A CD2 1 O49373 UNP 54 Y +ATOM 451 C CE1 . TYR A 1 54 ? 3.160 15.530 -15.446 1.0 94.46 ? 54 TYR A CE1 1 O49373 UNP 54 Y +ATOM 452 C CE2 . TYR A 1 54 ? 1.263 16.509 -16.640 1.0 94.46 ? 54 TYR A CE2 1 O49373 UNP 54 Y +ATOM 453 O OH . TYR A 1 54 ? 3.492 16.836 -17.437 1.0 94.46 ? 54 TYR A OH 1 O49373 UNP 54 Y +ATOM 454 C CZ . TYR A 1 54 ? 2.653 16.307 -16.508 1.0 94.46 ? 54 TYR A CZ 1 O49373 UNP 54 Y +ATOM 455 N N . SER A 1 55 ? -0.085 11.455 -13.776 1.0 95.41 ? 55 SER A N 1 O49373 UNP 55 S +ATOM 456 C CA . SER A 1 55 ? 0.486 10.168 -14.178 1.0 95.41 ? 55 SER A CA 1 O49373 UNP 55 S +ATOM 457 C C . SER A 1 55 ? -0.489 9.351 -15.027 1.0 95.41 ? 55 SER A C 1 O49373 UNP 55 S +ATOM 458 C CB . SER A 1 55 ? 1.008 9.377 -12.971 1.0 95.41 ? 55 SER A CB 1 O49373 UNP 55 S +ATOM 459 O O . SER A 1 55 ? -0.071 8.846 -16.064 1.0 95.41 ? 55 SER A O 1 O49373 UNP 55 S +ATOM 460 O OG . SER A 1 55 ? -0.009 8.787 -12.187 1.0 95.41 ? 55 SER A OG 1 O49373 UNP 55 S +ATOM 461 N N . VAL A 1 56 ? -1.784 9.315 -14.672 1.0 96.73 ? 56 VAL A N 1 O49373 UNP 56 V +ATOM 462 C CA . VAL A 1 56 ? -2.844 8.683 -15.485 1.0 96.73 ? 56 VAL A CA 1 O49373 UNP 56 V +ATOM 463 C C . VAL A 1 56 ? -2.821 9.258 -16.900 1.0 96.73 ? 56 VAL A C 1 O49373 UNP 56 V +ATOM 464 C CB . VAL A 1 56 ? -4.242 8.901 -14.860 1.0 96.73 ? 56 VAL A CB 1 O49373 UNP 56 V +ATOM 465 O O . VAL A 1 56 ? -2.647 8.522 -17.867 1.0 96.73 ? 56 VAL A O 1 O49373 UNP 56 V +ATOM 466 C CG1 . VAL A 1 56 ? -5.389 8.346 -15.716 1.0 96.73 ? 56 VAL A CG1 1 O49373 UNP 56 V +ATOM 467 C CG2 . VAL A 1 56 ? -4.384 8.266 -13.474 1.0 96.73 ? 56 VAL A CG2 1 O49373 UNP 56 V +ATOM 468 N N . LYS A 1 57 ? -2.907 10.589 -17.017 1.0 95.25 ? 57 LYS A N 1 O49373 UNP 57 K +ATOM 469 C CA . LYS A 1 57 ? -2.952 11.279 -18.310 1.0 95.25 ? 57 LYS A CA 1 O49373 UNP 57 K +ATOM 470 C C . LYS A 1 57 ? -1.711 11.017 -19.166 1.0 95.25 ? 57 LYS A C 1 O49373 UNP 57 K +ATOM 471 C CB . LYS A 1 57 ? -3.152 12.778 -18.054 1.0 95.25 ? 57 LYS A CB 1 O49373 UNP 57 K +ATOM 472 O O . LYS A 1 57 ? -1.832 10.776 -20.366 1.0 95.25 ? 57 LYS A O 1 O49373 UNP 57 K +ATOM 473 C CG . LYS A 1 57 ? -3.239 13.556 -19.372 1.0 95.25 ? 57 LYS A CG 1 O49373 UNP 57 K +ATOM 474 C CD . LYS A 1 57 ? -3.514 15.037 -19.120 1.0 95.25 ? 57 LYS A CD 1 O49373 UNP 57 K +ATOM 475 C CE . LYS A 1 57 ? -3.594 15.730 -20.482 1.0 95.25 ? 57 LYS A CE 1 O49373 UNP 57 K +ATOM 476 N NZ . LYS A 1 57 ? -4.016 17.142 -20.346 1.0 95.25 ? 57 LYS A NZ 1 O49373 UNP 57 K +ATOM 477 N N . ILE A 1 58 ? -0.518 11.117 -18.576 1.0 95.15 ? 58 ILE A N 1 O49373 UNP 58 I +ATOM 478 C CA . ILE A 1 58 ? 0.736 10.891 -19.307 1.0 95.15 ? 58 ILE A CA 1 O49373 UNP 58 I +ATOM 479 C C . ILE A 1 58 ? 0.820 9.451 -19.796 1.0 95.15 ? 58 ILE A C 1 O49373 UNP 58 I +ATOM 480 C CB . ILE A 1 58 ? 1.963 11.264 -18.446 1.0 95.15 ? 58 ILE A CB 1 O49373 UNP 58 I +ATOM 481 O O . ILE A 1 58 ? 1.151 9.236 -20.959 1.0 95.15 ? 58 ILE A O 1 O49373 UNP 58 I +ATOM 482 C CG1 . ILE A 1 58 ? 2.113 12.797 -18.482 1.0 95.15 ? 58 ILE A CG1 1 O49373 UNP 58 I +ATOM 483 C CG2 . ILE A 1 58 ? 3.261 10.589 -18.945 1.0 95.15 ? 58 ILE A CG2 1 O49373 UNP 58 I +ATOM 484 C CD1 . ILE A 1 58 ? 3.335 13.307 -17.718 1.0 95.15 ? 58 ILE A CD1 1 O49373 UNP 58 I +ATOM 485 N N . LEU A 1 59 ? 0.543 8.483 -18.926 1.0 97.04 ? 59 LEU A N 1 O49373 UNP 59 L +ATOM 486 C CA . LEU A 1 59 ? 0.698 7.067 -19.244 1.0 97.04 ? 59 LEU A CA 1 O49373 UNP 59 L +ATOM 487 C C . LEU A 1 59 ? -0.320 6.605 -20.283 1.0 97.04 ? 59 LEU A C 1 O49373 UNP 59 L +ATOM 488 C CB . LEU A 1 59 ? 0.630 6.253 -17.951 1.0 97.04 ? 59 LEU A CB 1 O49373 UNP 59 L +ATOM 489 O O . LEU A 1 59 ? 0.042 5.887 -21.204 1.0 97.04 ? 59 LEU A O 1 O49373 UNP 59 L +ATOM 490 C CG . LEU A 1 59 ? 1.925 6.391 -17.128 1.0 97.04 ? 59 LEU A CG 1 O49373 UNP 59 L +ATOM 491 C CD1 . LEU A 1 59 ? 1.662 5.983 -15.683 1.0 97.04 ? 59 LEU A CD1 1 O49373 UNP 59 L +ATOM 492 C CD2 . LEU A 1 59 ? 3.047 5.510 -17.688 1.0 97.04 ? 59 LEU A CD2 1 O49373 UNP 59 L +ATOM 493 N N . GLU A 1 60 ? -1.551 7.106 -20.222 1.0 94.95 ? 60 GLU A N 1 O49373 UNP 60 E +ATOM 494 C CA . GLU A 1 60 ? -2.547 6.856 -21.264 1.0 94.95 ? 60 GLU A CA 1 O49373 UNP 60 E +ATOM 495 C C . GLU A 1 60 ? -2.126 7.452 -22.617 1.0 94.95 ? 60 GLU A C 1 O49373 UNP 60 E +ATOM 496 C CB . GLU A 1 60 ? -3.876 7.436 -20.775 1.0 94.95 ? 60 GLU A CB 1 O49373 UNP 60 E +ATOM 497 O O . GLU A 1 60 ? -2.302 6.838 -23.663 1.0 94.95 ? 60 GLU A O 1 O49373 UNP 60 E +ATOM 498 C CG . GLU A 1 60 ? -5.042 7.068 -21.693 1.0 94.95 ? 60 GLU A CG 1 O49373 UNP 60 E +ATOM 499 C CD . GLU A 1 60 ? -6.387 7.486 -21.093 1.0 94.95 ? 60 GLU A CD 1 O49373 UNP 60 E +ATOM 500 O OE1 . GLU A 1 60 ? -7.394 6.806 -21.393 1.0 94.95 ? 60 GLU A OE1 1 O49373 UNP 60 E +ATOM 501 O OE2 . GLU A 1 60 ? -6.446 8.521 -20.394 1.0 94.95 ? 60 GLU A OE2 1 O49373 UNP 60 E +ATOM 502 N N . THR A 1 61 ? -1.501 8.632 -22.612 1.0 94.00 ? 61 THR A N 1 O49373 UNP 61 T +ATOM 503 C CA . THR A 1 61 ? -1.057 9.297 -23.848 1.0 94.00 ? 61 THR A CA 1 O49373 UNP 61 T +ATOM 504 C C . THR A 1 61 ? 0.229 8.699 -24.437 1.0 94.00 ? 61 THR A C 1 O49373 UNP 61 T +ATOM 505 C CB . THR A 1 61 ? -0.871 10.800 -23.598 1.0 94.00 ? 61 THR A CB 1 O49373 UNP 61 T +ATOM 506 O O . THR A 1 61 ? 0.529 8.936 -25.606 1.0 94.00 ? 61 THR A O 1 O49373 UNP 61 T +ATOM 507 C CG2 . THR A 1 61 ? -0.646 11.588 -24.879 1.0 94.00 ? 61 THR A CG2 1 O49373 UNP 61 T +ATOM 508 O OG1 . THR A 1 61 ? -2.021 11.384 -23.024 1.0 94.00 ? 61 THR A OG1 1 O49373 UNP 61 T +ATOM 509 N N . SER A 1 62 ? 1.000 7.963 -23.633 1.0 93.95 ? 62 SER A N 1 O49373 UNP 62 S +ATOM 510 C CA . SER A 1 62 ? 2.301 7.375 -23.991 1.0 93.95 ? 62 SER A CA 1 O49373 UNP 62 S +ATOM 511 C C . SER A 1 62 ? 2.244 5.861 -24.188 1.0 93.95 ? 62 SER A C 1 O49373 UNP 62 S +ATOM 512 C CB . SER A 1 62 ? 3.371 7.750 -22.961 1.0 93.95 ? 62 SER A CB 1 O49373 UNP 62 S +ATOM 513 O O . SER A 1 62 ? 3.277 5.203 -24.156 1.0 93.95 ? 62 SER A O 1 O49373 UNP 62 S +ATOM 514 O OG . SER A 1 62 ? 2.983 7.399 -21.655 1.0 93.95 ? 62 SER A OG 1 O49373 UNP 62 S +ATOM 515 N N . ASP A 1 63 ? 1.046 5.312 -24.390 1.0 93.95 ? 63 ASP A N 1 O49373 UNP 63 D +ATOM 516 C CA . ASP A 1 63 ? 0.845 3.880 -24.617 1.0 93.95 ? 63 ASP A CA 1 O49373 UNP 63 D +ATOM 517 C C . ASP A 1 63 ? 1.382 3.024 -23.450 1.0 93.95 ? 63 ASP A C 1 O49373 UNP 63 D +ATOM 518 C CB . ASP A 1 63 ? 1.350 3.504 -26.029 1.0 93.95 ? 63 ASP A CB 1 O49373 UNP 63 D +ATOM 519 O O . ASP A 1 63 ? 2.175 2.095 -23.592 1.0 93.95 ? 63 ASP A O 1 O49373 UNP 63 D +ATOM 520 C CG . ASP A 1 63 ? 0.386 2.631 -26.837 1.0 93.95 ? 63 ASP A CG 1 O49373 UNP 63 D +ATOM 521 O OD1 . ASP A 1 63 ? -0.718 2.323 -26.331 1.0 93.95 ? 63 ASP A OD1 1 O49373 UNP 63 D +ATOM 522 O OD2 . ASP A 1 63 ? 0.738 2.356 -28.005 1.0 93.95 ? 63 ASP A OD2 1 O49373 UNP 63 D +ATOM 523 N N . LEU A 1 64 ? 0.953 3.392 -22.235 1.0 97.83 ? 64 LEU A N 1 O49373 UNP 64 L +ATOM 524 C CA . LEU A 1 64 ? 1.186 2.702 -20.960 1.0 97.83 ? 64 LEU A CA 1 O49373 UNP 64 L +ATOM 525 C C . LEU A 1 64 ? 2.623 2.744 -20.414 1.0 97.83 ? 64 LEU A C 1 O49373 UNP 64 L +ATOM 526 C CB . LEU A 1 64 ? 0.646 1.255 -21.031 1.0 97.83 ? 64 LEU A CB 1 O49373 UNP 64 L +ATOM 527 O O . LEU A 1 64 ? 2.836 2.324 -19.272 1.0 97.83 ? 64 LEU A O 1 O49373 UNP 64 L +ATOM 528 C CG . LEU A 1 64 ? -0.764 1.082 -21.624 1.0 97.83 ? 64 LEU A CG 1 O49373 UNP 64 L +ATOM 529 C CD1 . LEU A 1 64 ? -1.133 -0.402 -21.615 1.0 97.83 ? 64 LEU A CD1 1 O49373 UNP 64 L +ATOM 530 C CD2 . LEU A 1 64 ? -1.821 1.850 -20.825 1.0 97.83 ? 64 LEU A CD2 1 O49373 UNP 64 L +ATOM 531 N N . THR A 1 65 ? 3.601 3.270 -21.158 1.0 97.97 ? 65 THR A N 1 O49373 UNP 65 T +ATOM 532 C CA . THR A 1 65 ? 5.002 3.372 -20.714 1.0 97.97 ? 65 THR A CA 1 O49373 UNP 65 T +ATOM 533 C C . THR A 1 65 ? 5.613 4.726 -21.071 1.0 97.97 ? 65 THR A C 1 O49373 UNP 65 T +ATOM 534 C CB . THR A 1 65 ? 5.850 2.232 -21.297 1.0 97.97 ? 65 THR A CB 1 O49373 UNP 65 T +ATOM 535 O O . THR A 1 65 ? 5.645 5.129 -22.226 1.0 97.97 ? 65 THR A O 1 O49373 UNP 65 T +ATOM 536 C CG2 . THR A 1 65 ? 7.270 2.226 -20.733 1.0 97.97 ? 65 THR A CG2 1 O49373 UNP 65 T +ATOM 537 O OG1 . THR A 1 65 ? 5.289 0.985 -20.958 1.0 97.97 ? 65 THR A OG1 1 O49373 UNP 65 T +ATOM 538 N N . PHE A 1 66 ? 6.164 5.431 -20.078 1.0 96.68 ? 66 PHE A N 1 O49373 UNP 66 F +ATOM 539 C CA . PHE A 1 66 ? 6.691 6.783 -20.244 1.0 96.68 ? 66 PHE A CA 1 O49373 UNP 66 F +ATOM 540 C C . PHE A 1 66 ? 8.132 6.943 -19.722 1.0 96.68 ? 66 PHE A C 1 O49373 UNP 66 F +ATOM 541 C CB . PHE A 1 66 ? 5.757 7.783 -19.557 1.0 96.68 ? 66 PHE A CB 1 O49373 UNP 66 F +ATOM 542 O O . PHE A 1 66 ? 8.366 6.842 -18.513 1.0 96.68 ? 66 PHE A O 1 O49373 UNP 66 F +ATOM 543 C CG . PHE A 1 66 ? 6.205 9.212 -19.770 1.0 96.68 ? 66 PHE A CG 1 O49373 UNP 66 F +ATOM 544 C CD1 . PHE A 1 66 ? 6.742 9.950 -18.700 1.0 96.68 ? 66 PHE A CD1 1 O49373 UNP 66 F +ATOM 545 C CD2 . PHE A 1 66 ? 6.161 9.772 -21.060 1.0 96.68 ? 66 PHE A CD2 1 O49373 UNP 66 F +ATOM 546 C CE1 . PHE A 1 66 ? 7.234 11.247 -18.920 1.0 96.68 ? 66 PHE A CE1 1 O49373 UNP 66 F +ATOM 547 C CE2 . PHE A 1 66 ? 6.680 11.057 -21.285 1.0 96.68 ? 66 PHE A CE2 1 O49373 UNP 66 F +ATOM 548 C CZ . PHE A 1 66 ? 7.217 11.790 -20.215 1.0 96.68 ? 66 PHE A CZ 1 O49373 UNP 66 F +ATOM 549 N N . PRO A 1 67 ? 9.114 7.270 -20.585 1.0 95.24 ? 67 PRO A N 1 O49373 UNP 67 P +ATOM 550 C CA . PRO A 1 67 ? 10.472 7.589 -20.156 1.0 95.24 ? 67 PRO A CA 1 O49373 UNP 67 P +ATOM 551 C C . PRO A 1 67 ? 10.574 9.041 -19.657 1.0 95.24 ? 67 PRO A C 1 O49373 UNP 67 P +ATOM 552 C CB . PRO A 1 67 ? 11.343 7.304 -21.382 1.0 95.24 ? 67 PRO A CB 1 O49373 UNP 67 P +ATOM 553 O O . PRO A 1 67 ? 10.711 9.986 -20.437 1.0 95.24 ? 67 PRO A O 1 O49373 UNP 67 P +ATOM 554 C CG . PRO A 1 67 ? 10.416 7.607 -22.561 1.0 95.24 ? 67 PRO A CG 1 O49373 UNP 67 P +ATOM 555 C CD . PRO A 1 67 ? 9.034 7.217 -22.041 1.0 95.24 ? 67 PRO A CD 1 O49373 UNP 67 P +ATOM 556 N N . PHE A 1 68 ? 10.574 9.226 -18.338 1.0 94.65 ? 68 PHE A N 1 O49373 UNP 68 F +ATOM 557 C CA . PHE A 1 68 ? 10.833 10.516 -17.708 1.0 94.65 ? 68 PHE A CA 1 O49373 UNP 68 F +ATOM 558 C C . PHE A 1 68 ? 12.334 10.840 -17.695 1.0 94.65 ? 68 PHE A C 1 O49373 UNP 68 F +ATOM 559 C CB . PHE A 1 68 ? 10.242 10.551 -16.294 1.0 94.65 ? 68 PHE A CB 1 O49373 UNP 68 F +ATOM 560 O O . PHE A 1 68 ? 13.171 10.035 -17.276 1.0 94.65 ? 68 PHE A O 1 O49373 UNP 68 F +ATOM 561 C CG . PHE A 1 68 ? 10.555 11.842 -15.562 1.0 94.65 ? 68 PHE A CG 1 O49373 UNP 68 F +ATOM 562 C CD1 . PHE A 1 68 ? 11.647 11.902 -14.675 1.0 94.65 ? 68 PHE A CD1 1 O49373 UNP 68 F +ATOM 563 C CD2 . PHE A 1 68 ? 9.800 13.001 -15.818 1.0 94.65 ? 68 PHE A CD2 1 O49373 UNP 68 F +ATOM 564 C CE1 . PHE A 1 68 ? 11.998 13.119 -14.069 1.0 94.65 ? 68 PHE A CE1 1 O49373 UNP 68 F +ATOM 565 C CE2 . PHE A 1 68 ? 10.147 14.218 -15.206 1.0 94.65 ? 68 PHE A CE2 1 O49373 UNP 68 F +ATOM 566 C CZ . PHE A 1 68 ? 11.260 14.281 -14.351 1.0 94.65 ? 68 PHE A CZ 1 O49373 UNP 68 F +ATOM 567 N N . LYS A 1 69 ? 12.680 12.060 -18.117 1.0 92.45 ? 69 LYS A N 1 O49373 UNP 69 K +ATOM 568 C CA . LYS A 1 69 ? 14.057 12.570 -18.113 1.0 92.45 ? 69 LYS A CA 1 O49373 UNP 69 K +ATOM 569 C C . LYS A 1 69 ? 14.201 13.703 -17.099 1.0 92.45 ? 69 LYS A C 1 O49373 UNP 69 K +ATOM 570 C CB . LYS A 1 69 ? 14.470 12.949 -19.550 1.0 92.45 ? 69 LYS A CB 1 O49373 UNP 69 K +ATOM 571 O O . LYS A 1 69 ? 13.664 14.790 -17.307 1.0 92.45 ? 69 LYS A O 1 O49373 UNP 69 K +ATOM 572 C CG . LYS A 1 69 ? 14.453 11.768 -20.546 1.0 92.45 ? 69 LYS A CG 1 O49373 UNP 69 K +ATOM 573 C CD . LYS A 1 69 ? 15.415 10.646 -20.126 1.0 92.45 ? 69 LYS A CD 1 O49373 UNP 69 K +ATOM 574 C CE . LYS A 1 69 ? 15.494 9.488 -21.124 1.0 92.45 ? 69 LYS A CE 1 O49373 UNP 69 K +ATOM 575 N NZ . LYS A 1 69 ? 16.354 8.406 -20.572 1.0 92.45 ? 69 LYS A NZ 1 O49373 UNP 69 K +ATOM 576 N N . GLY A 1 70 ? 14.930 13.458 -16.014 1.0 90.46 ? 70 GLY A N 1 O49373 UNP 70 G +ATOM 577 C CA . GLY A 1 70 ? 15.264 14.470 -15.005 1.0 90.46 ? 70 GLY A CA 1 O49373 UNP 70 G +ATOM 578 C C . GLY A 1 70 ? 16.520 15.256 -15.390 1.0 90.46 ? 70 GLY A C 1 O49373 UNP 70 G +ATOM 579 O O . GLY A 1 70 ? 17.146 14.910 -16.388 1.0 90.46 ? 70 GLY A O 1 O49373 UNP 70 G +ATOM 580 N N . PRO A 1 71 ? 16.916 16.314 -14.660 1.0 89.19 ? 71 PRO A N 1 O49373 UNP 71 P +ATOM 581 C CA . PRO A 1 71 ? 18.027 17.178 -15.061 1.0 89.19 ? 71 PRO A CA 1 O49373 UNP 71 P +ATOM 582 C C . PRO A 1 71 ? 19.328 16.393 -15.266 1.0 89.19 ? 71 PRO A C 1 O49373 UNP 71 P +ATOM 583 C CB . PRO A 1 71 ? 18.170 18.236 -13.964 1.0 89.19 ? 71 PRO A CB 1 O49373 UNP 71 P +ATOM 584 O O . PRO A 1 71 ? 19.571 15.384 -14.597 1.0 89.19 ? 71 PRO A O 1 O49373 UNP 71 P +ATOM 585 C CG . PRO A 1 71 ? 16.817 18.215 -13.260 1.0 89.19 ? 71 PRO A CG 1 O49373 UNP 71 P +ATOM 586 C CD . PRO A 1 71 ? 16.367 16.761 -13.395 1.0 89.19 ? 71 PRO A CD 1 O49373 UNP 71 P +ATOM 587 N N . ARG A 1 72 ? 20.179 16.849 -16.192 1.0 82.76 ? 72 ARG A N 1 O49373 UNP 72 R +ATOM 588 C CA . ARG A 1 72 ? 21.437 16.149 -16.508 1.0 82.76 ? 72 ARG A CA 1 O49373 UNP 72 R +ATOM 589 C C . ARG A 1 72 ? 22.284 15.934 -15.245 1.0 82.76 ? 72 ARG A C 1 O49373 UNP 72 R +ATOM 590 C CB . ARG A 1 72 ? 22.244 16.907 -17.572 1.0 82.76 ? 72 ARG A CB 1 O49373 UNP 72 R +ATOM 591 O O . ARG A 1 72 ? 22.339 16.804 -14.384 1.0 82.76 ? 72 ARG A O 1 O49373 UNP 72 R +ATOM 592 C CG . ARG A 1 72 ? 21.617 16.820 -18.970 1.0 82.76 ? 72 ARG A CG 1 O49373 UNP 72 R +ATOM 593 C CD . ARG A 1 72 ? 22.536 17.512 -19.985 1.0 82.76 ? 72 ARG A CD 1 O49373 UNP 72 R +ATOM 594 N NE . ARG A 1 72 ? 22.050 17.364 -21.372 1.0 82.76 ? 72 ARG A NE 1 O49373 UNP 72 R +ATOM 595 N NH1 . ARG A 1 72 ? 22.979 19.288 -22.230 1.0 82.76 ? 72 ARG A NH1 1 O49373 UNP 72 R +ATOM 596 N NH2 . ARG A 1 72 ? 21.833 17.935 -23.573 1.0 82.76 ? 72 ARG A NH2 1 O49373 UNP 72 R +ATOM 597 C CZ . ARG A 1 72 ? 22.281 18.197 -22.376 1.0 82.76 ? 72 ARG A CZ 1 O49373 UNP 72 R +ATOM 598 N N . PHE A 1 73 ? 22.924 14.768 -15.158 1.0 80.92 ? 73 PHE A N 1 O49373 UNP 73 F +ATOM 599 C CA . PHE A 1 73 ? 23.830 14.370 -14.066 1.0 80.92 ? 73 PHE A CA 1 O49373 UNP 73 F +ATOM 600 C C . PHE A 1 73 ? 23.207 14.285 -12.659 1.0 80.92 ? 73 PHE A C 1 O49373 UNP 73 F +ATOM 601 C CB . PHE A 1 73 ? 25.105 15.227 -14.101 1.0 80.92 ? 73 PHE A CB 1 O49373 UNP 73 F +ATOM 602 O O . PHE A 1 73 ? 23.927 14.167 -11.677 1.0 80.92 ? 73 PHE A O 1 O49373 UNP 73 F +ATOM 603 C CG . PHE A 1 73 ? 25.716 15.364 -15.482 1.0 80.92 ? 73 PHE A CG 1 O49373 UNP 73 F +ATOM 604 C CD1 . PHE A 1 73 ? 26.302 14.244 -16.101 1.0 80.92 ? 73 PHE A CD1 1 O49373 UNP 73 F +ATOM 605 C CD2 . PHE A 1 73 ? 25.695 16.603 -16.148 1.0 80.92 ? 73 PHE A CD2 1 O49373 UNP 73 F +ATOM 606 C CE1 . PHE A 1 73 ? 26.870 14.365 -17.381 1.0 80.92 ? 73 PHE A CE1 1 O49373 UNP 73 F +ATOM 607 C CE2 . PHE A 1 73 ? 26.267 16.725 -17.427 1.0 80.92 ? 73 PHE A CE2 1 O49373 UNP 73 F +ATOM 608 C CZ . PHE A 1 73 ? 26.856 15.606 -18.042 1.0 80.92 ? 73 PHE A CZ 1 O49373 UNP 73 F +ATOM 609 N N . THR A 1 74 ? 21.874 14.291 -12.537 1.0 86.13 ? 74 THR A N 1 O49373 UNP 74 T +ATOM 610 C CA . THR A 1 74 ? 21.193 14.156 -11.230 1.0 86.13 ? 74 THR A CA 1 O49373 UNP 74 T +ATOM 611 C C . THR A 1 74 ? 20.742 12.732 -10.897 1.0 86.13 ? 74 THR A C 1 O49373 UNP 74 T +ATOM 612 C CB . THR A 1 74 ? 19.984 15.090 -11.127 1.0 86.13 ? 74 THR A CB 1 O49373 UNP 74 T +ATOM 613 O O . THR A 1 74 ? 20.253 12.493 -9.793 1.0 86.13 ? 74 THR A O 1 O49373 UNP 74 T +ATOM 614 C CG2 . THR A 1 74 ? 20.359 16.560 -11.294 1.0 86.13 ? 74 THR A CG2 1 O49373 UNP 74 T +ATOM 615 O OG1 . THR A 1 74 ? 19.019 14.742 -12.095 1.0 86.13 ? 74 THR A OG1 1 O49373 UNP 74 T +ATOM 616 N N . GLY A 1 75 ? 20.845 11.794 -11.848 1.0 86.17 ? 75 GLY A N 1 O49373 UNP 75 G +ATOM 617 C CA . GLY A 1 75 ? 20.328 10.426 -11.694 1.0 86.17 ? 75 GLY A CA 1 O49373 UNP 75 G +ATOM 618 C C . GLY A 1 75 ? 18.799 10.352 -11.566 1.0 86.17 ? 75 GLY A C 1 O49373 UNP 75 G +ATOM 619 O O . GLY A 1 75 ? 18.265 9.384 -11.033 1.0 86.17 ? 75 GLY A O 1 O49373 UNP 75 G +ATOM 620 N N . MET A 1 76 ? 18.072 11.387 -11.997 1.0 90.98 ? 76 MET A N 1 O49373 UNP 76 M +ATOM 621 C CA . MET A 1 76 ? 16.608 11.475 -11.887 1.0 90.98 ? 76 MET A CA 1 O49373 UNP 76 M +ATOM 622 C C . MET A 1 76 ? 15.857 10.936 -13.115 1.0 90.98 ? 76 MET A C 1 O49373 UNP 76 M +ATOM 623 C CB . MET A 1 76 ? 16.203 12.924 -11.597 1.0 90.98 ? 76 MET A CB 1 O49373 UNP 76 M +ATOM 624 O O . MET A 1 76 ? 14.651 11.140 -13.225 1.0 90.98 ? 76 MET A O 1 O49373 UNP 76 M +ATOM 625 C CG . MET A 1 76 ? 16.640 13.425 -10.221 1.0 90.98 ? 76 MET A CG 1 O49373 UNP 76 M +ATOM 626 S SD . MET A 1 76 ? 16.086 15.121 -9.899 1.0 90.98 ? 76 MET A SD 1 O49373 UNP 76 M +ATOM 627 C CE . MET A 1 76 ? 14.323 14.830 -9.583 1.0 90.98 ? 76 MET A CE 1 O49373 UNP 76 M +ATOM 628 N N . ASP A 1 77 ? 16.544 10.282 -14.052 1.0 93.12 ? 77 ASP A N 1 O49373 UNP 77 D +ATOM 629 C CA . ASP A 1 77 ? 15.879 9.590 -15.158 1.0 93.12 ? 77 ASP A CA 1 O49373 UNP 77 D +ATOM 630 C C . ASP A 1 77 ? 15.116 8.372 -14.607 1.0 93.12 ? 77 ASP A C 1 O49373 UNP 77 D +ATOM 631 C CB . ASP A 1 77 ? 16.890 9.211 -16.260 1.0 93.12 ? 77 ASP A CB 1 O49373 UNP 77 D +ATOM 632 O O . ASP A 1 77 ? 15.631 7.630 -13.767 1.0 93.12 ? 77 ASP A O 1 O49373 UNP 77 D +ATOM 633 C CG . ASP A 1 77 ? 17.346 10.390 -17.143 1.0 93.12 ? 77 ASP A CG 1 O49373 UNP 77 D +ATOM 634 O OD1 . ASP A 1 77 ? 16.996 11.560 -16.861 1.0 93.12 ? 77 ASP A OD1 1 O49373 UNP 77 D +ATOM 635 O OD2 . ASP A 1 77 ? 17.990 10.150 -18.196 1.0 93.12 ? 77 ASP A OD2 1 O49373 UNP 77 D +ATOM 636 N N . MET A 1 78 ? 13.873 8.189 -15.054 1.0 95.40 ? 78 MET A N 1 O49373 UNP 78 M +ATOM 637 C CA . MET A 1 78 ? 12.988 7.113 -14.602 1.0 95.40 ? 78 MET A CA 1 O49373 UNP 78 M +ATOM 638 C C . MET A 1 78 ? 12.156 6.593 -15.773 1.0 95.40 ? 78 MET A C 1 O49373 UNP 78 M +ATOM 639 C CB . MET A 1 78 ? 12.043 7.591 -13.482 1.0 95.40 ? 78 MET A CB 1 O49373 UNP 78 M +ATOM 640 O O . MET A 1 78 ? 11.757 7.364 -16.642 1.0 95.40 ? 78 MET A O 1 O49373 UNP 78 M +ATOM 641 C CG . MET A 1 78 ? 12.752 8.238 -12.288 1.0 95.40 ? 78 MET A CG 1 O49373 UNP 78 M +ATOM 642 S SD . MET A 1 78 ? 11.630 8.804 -10.984 1.0 95.40 ? 78 MET A SD 1 O49373 UNP 78 M +ATOM 643 C CE . MET A 1 78 ? 12.339 10.442 -10.662 1.0 95.40 ? 78 MET A CE 1 O49373 UNP 78 M +ATOM 644 N N . LEU A 1 79 ? 11.841 5.303 -15.779 1.0 97.51 ? 79 LEU A N 1 O49373 UNP 79 L +ATOM 645 C CA . LEU A 1 79 ? 10.835 4.724 -16.663 1.0 97.51 ? 79 LEU A CA 1 O49373 UNP 79 L +ATOM 646 C C . LEU A 1 79 ? 9.558 4.478 -15.861 1.0 97.51 ? 79 LEU A C 1 O49373 UNP 79 L +ATOM 647 C CB . LEU A 1 79 ? 11.391 3.435 -17.286 1.0 97.51 ? 79 LEU A CB 1 O49373 UNP 79 L +ATOM 648 O O . LEU A 1 79 ? 9.571 3.705 -14.907 1.0 97.51 ? 79 LEU A O 1 O49373 UNP 79 L +ATOM 649 C CG . LEU A 1 79 ? 10.473 2.871 -18.383 1.0 97.51 ? 79 LEU A CG 1 O49373 UNP 79 L +ATOM 650 C CD1 . LEU A 1 79 ? 10.512 3.734 -19.646 1.0 97.51 ? 79 LEU A CD1 1 O49373 UNP 79 L +ATOM 651 C CD2 . LEU A 1 79 ? 10.926 1.472 -18.765 1.0 97.51 ? 79 LEU A CD2 1 O49373 UNP 79 L +ATOM 652 N N . LEU A 1 80 ? 8.467 5.141 -16.225 1.0 98.02 ? 80 LEU A N 1 O49373 UNP 80 L +ATOM 653 C CA . LEU A 1 80 ? 7.156 4.926 -15.620 1.0 98.02 ? 80 LEU A CA 1 O49373 UNP 80 L +ATOM 654 C C . LEU A 1 80 ? 6.396 3.903 -16.466 1.0 98.02 ? 80 LEU A C 1 O49373 UNP 80 L +ATOM 655 C CB . LEU A 1 80 ? 6.387 6.252 -15.499 1.0 98.02 ? 80 LEU A CB 1 O49373 UNP 80 L +ATOM 656 O O . LEU A 1 80 ? 6.397 4.017 -17.687 1.0 98.02 ? 80 LEU A O 1 O49373 UNP 80 L +ATOM 657 C CG . LEU A 1 80 ? 6.845 7.185 -14.364 1.0 98.02 ? 80 LEU A CG 1 O49373 UNP 80 L +ATOM 658 C CD1 . LEU A 1 80 ? 8.276 7.710 -14.524 1.0 98.02 ? 80 LEU A CD1 1 O49373 UNP 80 L +ATOM 659 C CD2 . LEU A 1 80 ? 5.909 8.393 -14.298 1.0 98.02 ? 80 LEU A CD2 1 O49373 UNP 80 L +ATOM 660 N N . THR A 1 81 ? 5.743 2.920 -15.849 1.0 98.48 ? 81 THR A N 1 O49373 UNP 81 T +ATOM 661 C CA . THR A 1 81 ? 4.966 1.907 -16.580 1.0 98.48 ? 81 THR A CA 1 O49373 UNP 81 T +ATOM 662 C C . THR A 1 81 ? 3.687 1.522 -15.848 1.0 98.48 ? 81 THR A C 1 O49373 UNP 81 T +ATOM 663 C CB . THR A 1 81 ? 5.820 0.670 -16.921 1.0 98.48 ? 81 THR A CB 1 O49373 UNP 81 T +ATOM 664 O O . THR A 1 81 ? 3.649 1.422 -14.619 1.0 98.48 ? 81 THR A O 1 O49373 UNP 81 T +ATOM 665 C CG2 . THR A 1 81 ? 6.294 -0.125 -15.703 1.0 98.48 ? 81 THR A CG2 1 O49373 UNP 81 T +ATOM 666 O OG1 . THR A 1 81 ? 5.118 -0.238 -17.741 1.0 98.48 ? 81 THR A OG1 1 O49373 UNP 81 T +ATOM 667 N N . VAL A 1 82 ? 2.647 1.271 -16.637 1.0 98.44 ? 82 VAL A N 1 O49373 UNP 82 V +ATOM 668 C CA . VAL A 1 82 ? 1.376 0.640 -16.251 1.0 98.44 ? 82 VAL A CA 1 O49373 UNP 82 V +ATOM 669 C C . VAL A 1 82 ? 0.984 -0.475 -17.222 1.0 98.44 ? 82 VAL A C 1 O49373 UNP 82 V +ATOM 670 C CB . VAL A 1 82 ? 0.245 1.669 -16.100 1.0 98.44 ? 82 VAL A CB 1 O49373 UNP 82 V +ATOM 671 O O . VAL A 1 82 ? -0.119 -1.000 -17.139 1.0 98.44 ? 82 VAL A O 1 O49373 UNP 82 V +ATOM 672 C CG1 . VAL A 1 82 ? 0.530 2.571 -14.901 1.0 98.44 ? 82 VAL A CG1 1 O49373 UNP 82 V +ATOM 673 C CG2 . VAL A 1 82 ? 0.056 2.528 -17.349 1.0 98.44 ? 82 VAL A CG2 1 O49373 UNP 82 V +ATOM 674 N N . ASP A 1 83 ? 1.887 -0.852 -18.130 1.0 98.31 ? 83 ASP A N 1 O49373 UNP 83 D +ATOM 675 C CA . ASP A 1 83 ? 1.712 -1.982 -19.039 1.0 98.31 ? 83 ASP A CA 1 O49373 UNP 83 D +ATOM 676 C C . ASP A 1 83 ? 1.754 -3.320 -18.261 1.0 98.31 ? 83 ASP A C 1 O49373 UNP 83 D +ATOM 677 C CB . ASP A 1 83 ? 2.799 -1.901 -20.117 1.0 98.31 ? 83 ASP A CB 1 O49373 UNP 83 D +ATOM 678 O O . ASP A 1 83 ? 2.795 -3.652 -17.674 1.0 98.31 ? 83 ASP A O 1 O49373 UNP 83 D +ATOM 679 C CG . ASP A 1 83 ? 2.737 -3.017 -21.164 1.0 98.31 ? 83 ASP A CG 1 O49373 UNP 83 D +ATOM 680 O OD1 . ASP A 1 83 ? 2.066 -4.044 -20.910 1.0 98.31 ? 83 ASP A OD1 1 O49373 UNP 83 D +ATOM 681 O OD2 . ASP A 1 83 ? 3.461 -2.874 -22.165 1.0 98.31 ? 83 ASP A OD2 1 O49373 UNP 83 D +ATOM 682 N N . PRO A 1 84 ? 0.657 -4.108 -18.261 1.0 98.23 ? 84 PRO A N 1 O49373 UNP 84 P +ATOM 683 C CA . PRO A 1 84 ? 0.593 -5.431 -17.641 1.0 98.23 ? 84 PRO A CA 1 O49373 UNP 84 P +ATOM 684 C C . PRO A 1 84 ? 1.723 -6.385 -18.058 1.0 98.23 ? 84 PRO A C 1 O49373 UNP 84 P +ATOM 685 C CB . PRO A 1 84 ? -0.771 -5.984 -18.077 1.0 98.23 ? 84 PRO A CB 1 O49373 UNP 84 P +ATOM 686 O O . PRO A 1 84 ? 2.216 -7.135 -17.215 1.0 98.23 ? 84 PRO A O 1 O49373 UNP 84 P +ATOM 687 C CG . PRO A 1 84 ? -1.632 -4.739 -18.212 1.0 98.23 ? 84 PRO A CG 1 O49373 UNP 84 P +ATOM 688 C CD . PRO A 1 84 ? -0.641 -3.770 -18.837 1.0 98.23 ? 84 PRO A CD 1 O49373 UNP 84 P +ATOM 689 N N . ALA A 1 85 ? 2.164 -6.351 -19.321 1.0 98.23 ? 85 ALA A N 1 O49373 UNP 85 A +ATOM 690 C CA . ALA A 1 85 ? 3.224 -7.219 -19.830 1.0 98.23 ? 85 ALA A CA 1 O49373 UNP 85 A +ATOM 691 C C . ALA A 1 85 ? 4.588 -6.829 -19.246 1.0 98.23 ? 85 ALA A C 1 O49373 UNP 85 A +ATOM 692 C CB . ALA A 1 85 ? 3.223 -7.163 -21.363 1.0 98.23 ? 85 ALA A CB 1 O49373 UNP 85 A +ATOM 693 O O . ALA A 1 85 ? 5.305 -7.684 -18.720 1.0 98.23 ? 85 ALA A O 1 O49373 UNP 85 A +ATOM 694 N N . ASN A 1 86 ? 4.914 -5.531 -19.243 1.0 98.53 ? 86 ASN A N 1 O49373 UNP 86 N +ATOM 695 C CA . ASN A 1 86 ? 6.117 -5.023 -18.578 1.0 98.53 ? 86 ASN A CA 1 O49373 UNP 86 N +ATOM 696 C C . ASN A 1 86 ? 6.105 -5.356 -17.080 1.0 98.53 ? 86 ASN A C 1 O49373 UNP 86 N +ATOM 697 C CB . ASN A 1 86 ? 6.223 -3.499 -18.748 1.0 98.53 ? 86 ASN A CB 1 O49373 UNP 86 N +ATOM 698 O O . ASN A 1 86 ? 7.113 -5.800 -16.532 1.0 98.53 ? 86 ASN A O 1 O49373 UNP 86 N +ATOM 699 C CG . ASN A 1 86 ? 6.503 -3.003 -20.154 1.0 98.53 ? 86 ASN A CG 1 O49373 UNP 86 N +ATOM 700 N ND2 . ASN A 1 86 ? 6.352 -1.716 -20.343 1.0 98.53 ? 86 ASN A ND2 1 O49373 UNP 86 N +ATOM 701 O OD1 . ASN A 1 86 ? 6.938 -3.711 -21.050 1.0 98.53 ? 86 ASN A OD1 1 O49373 UNP 86 N +ATOM 702 N N . ILE A 1 87 ? 4.966 -5.159 -16.409 1.0 98.49 ? 87 ILE A N 1 O49373 UNP 87 I +ATOM 703 C CA . ILE A 1 87 ? 4.817 -5.448 -14.979 1.0 98.49 ? 87 ILE A CA 1 O49373 UNP 87 I +ATOM 704 C C . ILE A 1 87 ? 5.021 -6.938 -14.710 1.0 98.49 ? 87 ILE A C 1 O49373 UNP 87 I +ATOM 705 C CB . ILE A 1 87 ? 3.443 -4.967 -14.472 1.0 98.49 ? 87 ILE A CB 1 O49373 UNP 87 I +ATOM 706 O O . ILE A 1 87 ? 5.769 -7.287 -13.797 1.0 98.49 ? 87 ILE A O 1 O49373 UNP 87 I +ATOM 707 C CG1 . ILE A 1 87 ? 3.389 -3.423 -14.481 1.0 98.49 ? 87 ILE A CG1 1 O49373 UNP 87 I +ATOM 708 C CG2 . ILE A 1 87 ? 3.157 -5.488 -13.050 1.0 98.49 ? 87 ILE A CG2 1 O49373 UNP 87 I +ATOM 709 C CD1 . ILE A 1 87 ? 1.973 -2.867 -14.301 1.0 98.49 ? 87 ILE A CD1 1 O49373 UNP 87 I +ATOM 710 N N . HIS A 1 88 ? 4.387 -7.820 -15.486 1.0 98.35 ? 88 HIS A N 1 O49373 UNP 88 H +ATOM 711 C CA . HIS A 1 88 ? 4.568 -9.263 -15.356 1.0 98.35 ? 88 HIS A CA 1 O49373 UNP 88 H +ATOM 712 C C . HIS A 1 88 ? 6.041 -9.658 -15.531 1.0 98.35 ? 88 HIS A C 1 O49373 UNP 88 H +ATOM 713 C CB . HIS A 1 88 ? 3.674 -9.983 -16.370 1.0 98.35 ? 88 HIS A CB 1 O49373 UNP 88 H +ATOM 714 O O . HIS A 1 88 ? 6.565 -10.425 -14.718 1.0 98.35 ? 88 HIS A O 1 O49373 UNP 88 H +ATOM 715 C CG . HIS A 1 88 ? 3.834 -11.479 -16.313 1.0 98.35 ? 88 HIS A CG 1 O49373 UNP 88 H +ATOM 716 C CD2 . HIS A 1 88 ? 3.505 -12.300 -15.269 1.0 98.35 ? 88 HIS A CD2 1 O49373 UNP 88 H +ATOM 717 N ND1 . HIS A 1 88 ? 4.415 -12.269 -17.278 1.0 98.35 ? 88 HIS A ND1 1 O49373 UNP 88 H +ATOM 718 C CE1 . HIS A 1 88 ? 4.421 -13.535 -16.831 1.0 98.35 ? 88 HIS A CE1 1 O49373 UNP 88 H +ATOM 719 N NE2 . HIS A 1 88 ? 3.888 -13.601 -15.600 1.0 98.35 ? 88 HIS A NE2 1 O49373 UNP 88 H +ATOM 720 N N . HIS A 1 89 ? 6.727 -9.061 -16.512 1.0 98.40 ? 89 HIS A N 1 O49373 UNP 89 H +ATOM 721 C CA . HIS A 1 89 ? 8.156 -9.271 -16.744 1.0 98.40 ? 89 HIS A CA 1 O49373 UNP 89 H +ATOM 722 C C . HIS A 1 89 ? 9.018 -8.875 -15.547 1.0 98.40 ? 89 HIS A C 1 O49373 UNP 89 H +ATOM 723 C CB . HIS A 1 89 ? 8.592 -8.569 -18.032 1.0 98.40 ? 89 HIS A CB 1 O49373 UNP 89 H +ATOM 724 O O . HIS A 1 89 ? 9.777 -9.686 -15.016 1.0 98.40 ? 89 HIS A O 1 O49373 UNP 89 H +ATOM 725 C CG . HIS A 1 89 ? 10.026 -8.855 -18.392 1.0 98.40 ? 89 HIS A CG 1 O49373 UNP 89 H +ATOM 726 C CD2 . HIS A 1 89 ? 11.066 -7.977 -18.300 1.0 98.40 ? 89 HIS A CD2 1 O49373 UNP 89 H +ATOM 727 N ND1 . HIS A 1 89 ? 10.493 -10.062 -18.912 1.0 98.40 ? 89 HIS A ND1 1 O49373 UNP 89 H +ATOM 728 C CE1 . HIS A 1 89 ? 11.796 -9.863 -19.172 1.0 98.40 ? 89 HIS A CE1 1 O49373 UNP 89 H +ATOM 729 N NE2 . HIS A 1 89 ? 12.170 -8.628 -18.798 1.0 98.40 ? 89 HIS A NE2 1 O49373 UNP 89 H +ATOM 730 N N . ILE A 1 90 ? 8.836 -7.647 -15.065 1.0 98.35 ? 90 ILE A N 1 O49373 UNP 90 I +ATOM 731 C CA . ILE A 1 90 ? 9.615 -7.069 -13.965 1.0 98.35 ? 90 ILE A CA 1 O49373 UNP 90 I +ATOM 732 C C . ILE A 1 90 ? 9.352 -7.794 -12.639 1.0 98.35 ? 90 ILE A C 1 O49373 UNP 90 I +ATOM 733 C CB . ILE A 1 90 ? 9.282 -5.562 -13.867 1.0 98.35 ? 90 ILE A CB 1 O49373 UNP 90 I +ATOM 734 O O . ILE A 1 90 ? 10.258 -8.007 -11.833 1.0 98.35 ? 90 ILE A O 1 O49373 UNP 90 I +ATOM 735 C CG1 . ILE A 1 90 ? 9.827 -4.803 -15.100 1.0 98.35 ? 90 ILE A CG1 1 O49373 UNP 90 I +ATOM 736 C CG2 . ILE A 1 90 ? 9.843 -4.927 -12.579 1.0 98.35 ? 90 ILE A CG2 1 O49373 UNP 90 I +ATOM 737 C CD1 . ILE A 1 90 ? 9.152 -3.442 -15.307 1.0 98.35 ? 90 ILE A CD1 1 O49373 UNP 90 I +ATOM 738 N N . MET A 1 91 ? 8.093 -8.132 -12.373 1.0 97.56 ? 91 MET A N 1 O49373 UNP 91 M +ATOM 739 C CA . MET A 1 91 ? 7.657 -8.605 -11.060 1.0 97.56 ? 91 MET A CA 1 O49373 UNP 91 M +ATOM 740 C C . MET A 1 91 ? 7.659 -10.125 -10.930 1.0 97.56 ? 91 MET A C 1 O49373 UNP 91 M +ATOM 741 C CB . MET A 1 91 ? 6.267 -8.036 -10.751 1.0 97.56 ? 91 MET A CB 1 O49373 UNP 91 M +ATOM 742 O O . MET A 1 91 ? 7.682 -10.620 -9.802 1.0 97.56 ? 91 MET A O 1 O49373 UNP 91 M +ATOM 743 C CG . MET A 1 91 ? 6.277 -6.502 -10.636 1.0 97.56 ? 91 MET A CG 1 O49373 UNP 91 M +ATOM 744 S SD . MET A 1 91 ? 7.323 -5.811 -9.316 1.0 97.56 ? 91 MET A SD 1 O49373 UNP 91 M +ATOM 745 C CE . MET A 1 91 ? 6.662 -6.760 -7.929 1.0 97.56 ? 91 MET A CE 1 O49373 UNP 91 M +ATOM 746 N N . SER A 1 92 ? 7.620 -10.853 -12.049 1.0 96.54 ? 92 SER A N 1 O49373 UNP 92 S +ATOM 747 C CA . SER A 1 92 ? 7.466 -12.310 -12.061 1.0 96.54 ? 92 SER A CA 1 O49373 UNP 92 S +ATOM 748 C C . SER A 1 92 ? 8.493 -12.992 -12.965 1.0 96.54 ? 92 SER A C 1 O49373 UNP 92 S +ATOM 749 C CB . SER A 1 92 ? 6.026 -12.723 -12.402 1.0 96.54 ? 92 SER A CB 1 O49373 UNP 92 S +ATOM 750 O O . SER A 1 92 ? 9.418 -13.605 -12.434 1.0 96.54 ? 92 SER A O 1 O49373 UNP 92 S +ATOM 751 O OG . SER A 1 92 ? 5.106 -12.012 -11.589 1.0 96.54 ? 92 SER A OG 1 O49373 UNP 92 S +ATOM 752 N N . SER A 1 93 ? 8.381 -12.893 -14.296 1.0 97.17 ? 93 SER A N 1 O49373 UNP 93 S +ATOM 753 C CA . SER A 1 93 ? 9.149 -13.776 -15.194 1.0 97.17 ? 93 SER A CA 1 O49373 UNP 93 S +ATOM 754 C C . SER A 1 93 ? 10.654 -13.502 -15.215 1.0 97.17 ? 93 SER A C 1 O49373 UNP 93 S +ATOM 755 C CB . SER A 1 93 ? 8.579 -13.786 -16.615 1.0 97.17 ? 93 SER A CB 1 O49373 UNP 93 S +ATOM 756 O O . SER A 1 93 ? 11.423 -14.451 -15.322 1.0 97.17 ? 93 SER A O 1 O49373 UNP 93 S +ATOM 757 O OG . SER A 1 93 ? 8.627 -12.509 -17.198 1.0 97.17 ? 93 SER A OG 1 O49373 UNP 93 S +ATOM 758 N N . ASN A 1 94 ? 11.093 -12.251 -15.042 1.0 97.33 ? 94 ASN A N 1 O49373 UNP 94 N +ATOM 759 C CA . ASN A 1 94 ? 12.508 -11.890 -14.893 1.0 97.33 ? 94 ASN A CA 1 O49373 UNP 94 N +ATOM 760 C C . ASN A 1 94 ? 12.813 -11.280 -13.510 1.0 97.33 ? 94 ASN A C 1 O49373 UNP 94 N +ATOM 761 C CB . ASN A 1 94 ? 12.960 -11.024 -16.085 1.0 97.33 ? 94 ASN A CB 1 O49373 UNP 94 N +ATOM 762 O O . ASN A 1 94 ? 13.698 -10.438 -13.357 1.0 97.33 ? 94 ASN A O 1 O49373 UNP 94 N +ATOM 763 C CG . ASN A 1 94 ? 14.477 -10.977 -16.225 1.0 97.33 ? 94 ASN A CG 1 O49373 UNP 94 N +ATOM 764 N ND2 . ASN A 1 94 ? 15.036 -10.057 -16.976 1.0 97.33 ? 94 ASN A ND2 1 O49373 UNP 94 N +ATOM 765 O OD1 . ASN A 1 94 ? 15.204 -11.789 -15.673 1.0 97.33 ? 94 ASN A OD1 1 O49373 UNP 94 N +ATOM 766 N N . PHE A 1 95 ? 12.075 -11.696 -12.474 1.0 96.30 ? 95 PHE A N 1 O49373 UNP 95 F +ATOM 767 C CA . PHE A 1 95 ? 12.159 -11.133 -11.119 1.0 96.30 ? 95 PHE A CA 1 O49373 UNP 95 F +ATOM 768 C C . PHE A 1 95 ? 13.590 -11.044 -10.557 1.0 96.30 ? 95 PHE A C 1 O49373 UNP 95 F +ATOM 769 C CB . PHE A 1 95 ? 11.295 -11.994 -10.184 1.0 96.30 ? 95 PHE A CB 1 O49373 UNP 95 F +ATOM 770 O O . PHE A 1 95 ? 13.916 -10.083 -9.863 1.0 96.30 ? 95 PHE A O 1 O49373 UNP 95 F +ATOM 771 C CG . PHE A 1 95 ? 11.483 -11.680 -8.711 1.0 96.30 ? 95 PHE A CG 1 O49373 UNP 95 F +ATOM 772 C CD1 . PHE A 1 95 ? 12.360 -12.453 -7.924 1.0 96.30 ? 95 PHE A CD1 1 O49373 UNP 95 F +ATOM 773 C CD2 . PHE A 1 95 ? 10.818 -10.584 -8.140 1.0 96.30 ? 95 PHE A CD2 1 O49373 UNP 95 F +ATOM 774 C CE1 . PHE A 1 95 ? 12.564 -12.134 -6.570 1.0 96.30 ? 95 PHE A CE1 1 O49373 UNP 95 F +ATOM 775 C CE2 . PHE A 1 95 ? 11.019 -10.267 -6.786 1.0 96.30 ? 95 PHE A CE2 1 O49373 UNP 95 F +ATOM 776 C CZ . PHE A 1 95 ? 11.893 -11.039 -5.999 1.0 96.30 ? 95 PHE A CZ 1 O49373 UNP 95 F +ATOM 777 N N . SER A 1 96 ? 14.449 -12.029 -10.843 1.0 96.08 ? 96 SER A N 1 O49373 UNP 96 S +ATOM 778 C CA . SER A 1 96 ? 15.832 -12.072 -10.348 1.0 96.08 ? 96 SER A CA 1 O49373 UNP 96 S +ATOM 779 C C . SER A 1 96 ? 16.698 -10.926 -10.871 1.0 96.08 ? 96 SER A C 1 O49373 UNP 96 S +ATOM 780 C CB . SER A 1 96 ? 16.485 -13.406 -10.724 1.0 96.08 ? 96 SER A CB 1 O49373 UNP 96 S +ATOM 781 O O . SER A 1 96 ? 17.630 -10.523 -10.178 1.0 96.08 ? 96 SER A O 1 O49373 UNP 96 S +ATOM 782 O OG . SER A 1 96 ? 16.366 -13.611 -12.117 1.0 96.08 ? 96 SER A OG 1 O49373 UNP 96 S +ATOM 783 N N . ASN A 1 97 ? 16.384 -10.375 -12.048 1.0 97.93 ? 97 ASN A N 1 O49373 UNP 97 N +ATOM 784 C CA . ASN A 1 97 ? 17.062 -9.198 -12.576 1.0 97.93 ? 97 ASN A CA 1 O49373 UNP 97 N +ATOM 785 C C . ASN A 1 97 ? 16.547 -7.899 -11.937 1.0 97.93 ? 97 ASN A C 1 O49373 UNP 97 N +ATOM 786 C CB . ASN A 1 97 ? 16.924 -9.173 -14.111 1.0 97.93 ? 97 ASN A CB 1 O49373 UNP 97 N +ATOM 787 O O . ASN A 1 97 ? 17.273 -6.916 -11.939 1.0 97.93 ? 97 ASN A O 1 O49373 UNP 97 N +ATOM 788 C CG . ASN A 1 97 ? 17.860 -8.161 -14.757 1.0 97.93 ? 97 ASN A CG 1 O49373 UNP 97 N +ATOM 789 N ND2 . ASN A 1 97 ? 17.424 -7.454 -15.774 1.0 97.93 ? 97 ASN A ND2 1 O49373 UNP 97 N +ATOM 790 O OD1 . ASN A 1 97 ? 19.004 -8.000 -14.355 1.0 97.93 ? 97 ASN A OD1 1 O49373 UNP 97 N +ATOM 791 N N . TYR A 1 98 ? 15.333 -7.865 -11.372 1.0 97.94 ? 98 TYR A N 1 O49373 UNP 98 Y +ATOM 792 C CA . TYR A 1 98 ? 14.691 -6.638 -10.882 1.0 97.94 ? 98 TYR A CA 1 O49373 UNP 98 Y +ATOM 793 C C . TYR A 1 98 ? 14.576 -6.583 -9.355 1.0 97.94 ? 98 TYR A C 1 O49373 UNP 98 Y +ATOM 794 C CB . TYR A 1 98 ? 13.331 -6.452 -11.550 1.0 97.94 ? 98 TYR A CB 1 O49373 UNP 98 Y +ATOM 795 O O . TYR A 1 98 ? 13.611 -7.051 -8.731 1.0 97.94 ? 98 TYR A O 1 O49373 UNP 98 Y +ATOM 796 C CG . TYR A 1 98 ? 13.417 -6.196 -13.038 1.0 97.94 ? 98 TYR A CG 1 O49373 UNP 98 Y +ATOM 797 C CD1 . TYR A 1 98 ? 13.710 -4.907 -13.525 1.0 97.94 ? 98 TYR A CD1 1 O49373 UNP 98 Y +ATOM 798 C CD2 . TYR A 1 98 ? 13.189 -7.250 -13.938 1.0 97.94 ? 98 TYR A CD2 1 O49373 UNP 98 Y +ATOM 799 C CE1 . TYR A 1 98 ? 13.761 -4.680 -14.914 1.0 97.94 ? 98 TYR A CE1 1 O49373 UNP 98 Y +ATOM 800 C CE2 . TYR A 1 98 ? 13.243 -7.026 -15.323 1.0 97.94 ? 98 TYR A CE2 1 O49373 UNP 98 Y +ATOM 801 O OH . TYR A 1 98 ? 13.549 -5.526 -17.146 1.0 97.94 ? 98 TYR A OH 1 O49373 UNP 98 Y +ATOM 802 C CZ . TYR A 1 98 ? 13.525 -5.739 -15.812 1.0 97.94 ? 98 TYR A CZ 1 O49373 UNP 98 Y +ATOM 803 N N . ILE A 1 99 ? 15.528 -5.889 -8.746 1.0 96.92 ? 99 ILE A N 1 O49373 UNP 99 I +ATOM 804 C CA . ILE A 1 99 ? 15.657 -5.731 -7.295 1.0 96.92 ? 99 ILE A CA 1 O49373 UNP 99 I +ATOM 805 C C . ILE A 1 99 ? 15.111 -4.381 -6.812 1.0 96.92 ? 99 ILE A C 1 O49373 UNP 99 I +ATOM 806 C CB . ILE A 1 99 ? 17.120 -5.987 -6.887 1.0 96.92 ? 99 ILE A CB 1 O49373 UNP 99 I +ATOM 807 O O . ILE A 1 99 ? 14.605 -3.579 -7.603 1.0 96.92 ? 99 ILE A O 1 O49373 UNP 99 I +ATOM 808 C CG1 . ILE A 1 99 ? 18.106 -4.977 -7.511 1.0 96.92 ? 99 ILE A CG1 1 O49373 UNP 99 I +ATOM 809 C CG2 . ILE A 1 99 ? 17.483 -7.450 -7.197 1.0 96.92 ? 99 ILE A CG2 1 O49373 UNP 99 I +ATOM 810 C CD1 . ILE A 1 99 ? 19.501 -5.055 -6.881 1.0 96.92 ? 99 ILE A CD1 1 O49373 UNP 99 I +ATOM 811 N N . LYS A 1 100 ? 15.152 -4.133 -5.499 1.0 95.86 ? 100 LYS A N 1 O49373 UNP 100 K +ATOM 812 C CA . LYS A 1 100 ? 14.977 -2.782 -4.951 1.0 95.86 ? 100 LYS A CA 1 O49373 UNP 100 K +ATOM 813 C C . LYS A 1 100 ? 16.241 -1.958 -5.184 1.0 95.86 ? 100 LYS A C 1 O49373 UNP 100 K +ATOM 814 C CB . LYS A 1 100 ? 14.631 -2.867 -3.453 1.0 95.86 ? 100 LYS A CB 1 O49373 UNP 100 K +ATOM 815 O O . LYS A 1 100 ? 16.155 -0.877 -5.765 1.0 95.86 ? 100 LYS A O 1 O49373 UNP 100 K +ATOM 816 C CG . LYS A 1 100 ? 13.285 -3.542 -3.157 1.0 95.86 ? 100 LYS A CG 1 O49373 UNP 100 K +ATOM 817 C CD . LYS A 1 100 ? 12.144 -2.739 -3.783 1.0 95.86 ? 100 LYS A CD 1 O49373 UNP 100 K +ATOM 818 C CE . LYS A 1 100 ? 10.787 -3.206 -3.273 1.0 95.86 ? 100 LYS A CE 1 O49373 UNP 100 K +ATOM 819 N NZ . LYS A 1 100 ? 9.755 -2.252 -3.737 1.0 95.86 ? 100 LYS A NZ 1 O49373 UNP 100 K +ATOM 820 N N . GLY A 1 101 ? 17.395 -2.515 -4.821 1.0 93.54 ? 101 GLY A N 1 O49373 UNP 101 G +ATOM 821 C CA . GLY A 1 101 ? 18.712 -1.939 -5.074 1.0 93.54 ? 101 GLY A CA 1 O49373 UNP 101 G +ATOM 822 C C . GLY A 1 101 ? 19.133 -0.839 -4.086 1.0 93.54 ? 101 GLY A C 1 O49373 UNP 101 G +ATOM 823 O O . GLY A 1 101 ? 18.311 -0.313 -3.330 1.0 93.54 ? 101 GLY A O 1 O49373 UNP 101 G +ATOM 824 N N . PRO A 1 102 ? 20.420 -0.451 -4.106 1.0 92.64 ? 102 PRO A N 1 O49373 UNP 102 P +ATOM 825 C CA . PRO A 1 102 ? 21.018 0.434 -3.101 1.0 92.64 ? 102 PRO A CA 1 O49373 UNP 102 P +ATOM 826 C C . PRO A 1 102 ? 20.402 1.834 -3.093 1.0 92.64 ? 102 PRO A C 1 O49373 UNP 102 P +ATOM 827 C CB . PRO A 1 102 ? 22.510 0.481 -3.451 1.0 92.64 ? 102 PRO A CB 1 O49373 UNP 102 P +ATOM 828 O O . PRO A 1 102 ? 20.205 2.436 -2.044 1.0 92.64 ? 102 PRO A O 1 O49373 UNP 102 P +ATOM 829 C CG . PRO A 1 102 ? 22.558 0.129 -4.939 1.0 92.64 ? 102 PRO A CG 1 O49373 UNP 102 P +ATOM 830 C CD . PRO A 1 102 ? 21.417 -0.872 -5.079 1.0 92.64 ? 102 PRO A CD 1 O49373 UNP 102 P +ATOM 831 N N . GLU A 1 103 ? 20.020 2.361 -4.255 1.0 92.34 ? 103 GLU A N 1 O49373 UNP 103 E +ATOM 832 C CA . GLU A 1 103 ? 19.357 3.662 -4.303 1.0 92.34 ? 103 GLU A CA 1 O49373 UNP 103 E +ATOM 833 C C . GLU A 1 103 ? 17.913 3.634 -3.774 1.0 92.34 ? 103 GLU A C 1 O49373 UNP 103 E +ATOM 834 C CB . GLU A 1 103 ? 19.283 4.156 -5.735 1.0 92.34 ? 103 GLU A CB 1 O49373 UNP 103 E +ATOM 835 O O . GLU A 1 103 ? 17.359 4.687 -3.455 1.0 92.34 ? 103 GLU A O 1 O49373 UNP 103 E +ATOM 836 C CG . GLU A 1 103 ? 20.570 4.506 -6.479 1.0 92.34 ? 103 GLU A CG 1 O49373 UNP 103 E +ATOM 837 C CD . GLU A 1 103 ? 20.220 5.265 -7.774 1.0 92.34 ? 103 GLU A CD 1 O49373 UNP 103 E +ATOM 838 O OE1 . GLU A 1 103 ? 21.145 5.658 -8.507 1.0 92.34 ? 103 GLU A OE1 1 O49373 UNP 103 E +ATOM 839 O OE2 . GLU A 1 103 ? 19.010 5.542 -7.984 1.0 92.34 ? 103 GLU A OE2 1 O49373 UNP 103 E +ATOM 840 N N . PHE A 1 104 ? 17.247 2.473 -3.752 1.0 94.85 ? 104 PHE A N 1 O49373 UNP 104 F +ATOM 841 C CA . PHE A 1 104 ? 15.971 2.336 -3.047 1.0 94.85 ? 104 PHE A CA 1 O49373 UNP 104 F +ATOM 842 C C . PHE A 1 104 ? 16.223 2.367 -1.544 1.0 94.85 ? 104 PHE A C 1 O49373 UNP 104 F +ATOM 843 C CB . PHE A 1 104 ? 15.243 1.058 -3.482 1.0 94.85 ? 104 PHE A CB 1 O49373 UNP 104 F +ATOM 844 O O . PHE A 1 104 ? 15.562 3.126 -0.846 1.0 94.85 ? 104 PHE A O 1 O49373 UNP 104 F +ATOM 845 C CG . PHE A 1 104 ? 13.902 0.831 -2.808 1.0 94.85 ? 104 PHE A CG 1 O49373 UNP 104 F +ATOM 846 C CD1 . PHE A 1 104 ? 13.830 0.231 -1.536 1.0 94.85 ? 104 PHE A CD1 1 O49373 UNP 104 F +ATOM 847 C CD2 . PHE A 1 104 ? 12.717 1.223 -3.455 1.0 94.85 ? 104 PHE A CD2 1 O49373 UNP 104 F +ATOM 848 C CE1 . PHE A 1 104 ? 12.583 0.053 -0.912 1.0 94.85 ? 104 PHE A CE1 1 O49373 UNP 104 F +ATOM 849 C CE2 . PHE A 1 104 ? 11.470 1.062 -2.824 1.0 94.85 ? 104 PHE A CE2 1 O49373 UNP 104 F +ATOM 850 C CZ . PHE A 1 104 ? 11.406 0.484 -1.545 1.0 94.85 ? 104 PHE A CZ 1 O49373 UNP 104 F +ATOM 851 N N . GLN A 1 105 ? 17.222 1.623 -1.068 1.0 94.68 ? 105 GLN A N 1 O49373 UNP 105 Q +ATOM 852 C CA . GLN A 1 105 ? 17.617 1.621 0.342 1.0 94.68 ? 105 GLN A CA 1 O49373 UNP 105 Q +ATOM 853 C C . GLN A 1 105 ? 18.008 3.020 0.835 1.0 94.68 ? 105 GLN A C 1 O49373 UNP 105 Q +ATOM 854 C CB . GLN A 1 105 ? 18.770 0.633 0.550 1.0 94.68 ? 105 GLN A CB 1 O49373 UNP 105 Q +ATOM 855 O O . GLN A 1 105 ? 17.562 3.424 1.895 1.0 94.68 ? 105 GLN A O 1 O49373 UNP 105 Q +ATOM 856 C CG . GLN A 1 105 ? 18.357 -0.817 0.259 1.0 94.68 ? 105 GLN A CG 1 O49373 UNP 105 Q +ATOM 857 C CD . GLN A 1 105 ? 19.509 -1.791 0.460 1.0 94.68 ? 105 GLN A CD 1 O49373 UNP 105 Q +ATOM 858 N NE2 . GLN A 1 105 ? 19.234 -2.992 0.910 1.0 94.68 ? 105 GLN A NE2 1 O49373 UNP 105 Q +ATOM 859 O OE1 . GLN A 1 105 ? 20.663 -1.499 0.196 1.0 94.68 ? 105 GLN A OE1 1 O49373 UNP 105 Q +ATOM 860 N N . ASP A 1 106 ? 18.739 3.805 0.036 1.0 94.46 ? 106 ASP A N 1 O49373 UNP 106 D +ATOM 861 C CA . ASP A 1 106 ? 19.130 5.178 0.396 1.0 94.46 ? 106 ASP A CA 1 O49373 UNP 106 D +ATOM 862 C C . ASP A 1 106 ? 17.934 6.145 0.492 1.0 94.46 ? 106 ASP A C 1 O49373 UNP 106 D +ATOM 863 C CB . ASP A 1 106 ? 20.146 5.673 -0.647 1.0 94.46 ? 106 ASP A CB 1 O49373 UNP 106 D +ATOM 864 O O . ASP A 1 106 ? 17.974 7.119 1.236 1.0 94.46 ? 106 ASP A O 1 O49373 UNP 106 D +ATOM 865 C CG . ASP A 1 106 ? 20.883 6.963 -0.262 1.0 94.46 ? 106 ASP A CG 1 O49373 UNP 106 D +ATOM 866 O OD1 . ASP A 1 106 ? 21.228 7.185 0.916 1.0 94.46 ? 106 ASP A OD1 1 O49373 UNP 106 D +ATOM 867 O OD2 . ASP A 1 106 ? 21.246 7.742 -1.174 1.0 94.46 ? 106 ASP A OD2 1 O49373 UNP 106 D +ATOM 868 N N . VAL A 1 107 ? 16.857 5.895 -0.261 1.0 94.86 ? 107 VAL A N 1 O49373 UNP 107 V +ATOM 869 C CA . VAL A 1 107 ? 15.626 6.702 -0.190 1.0 94.86 ? 107 VAL A CA 1 O49373 UNP 107 V +ATOM 870 C C . VAL A 1 107 ? 14.731 6.269 0.973 1.0 94.86 ? 107 VAL A C 1 O49373 UNP 107 V +ATOM 871 C CB . VAL A 1 107 ? 14.872 6.664 -1.533 1.0 94.86 ? 107 VAL A CB 1 O49373 UNP 107 V +ATOM 872 O O . VAL A 1 107 ? 14.054 7.116 1.554 1.0 94.86 ? 107 VAL A O 1 O49373 UNP 107 V +ATOM 873 C CG1 . VAL A 1 107 ? 13.478 7.300 -1.460 1.0 94.86 ? 107 VAL A CG1 1 O49373 UNP 107 V +ATOM 874 C CG2 . VAL A 1 107 ? 15.653 7.439 -2.604 1.0 94.86 ? 107 VAL A CG2 1 O49373 UNP 107 V +ATOM 875 N N . PHE A 1 108 ? 14.737 4.979 1.306 1.0 95.11 ? 108 PHE A N 1 O49373 UNP 108 F +ATOM 876 C CA . PHE A 1 108 ? 13.941 4.352 2.366 1.0 95.11 ? 108 PHE A CA 1 O49373 UNP 108 F +ATOM 877 C C . PHE A 1 108 ? 14.803 4.014 3.599 1.0 95.11 ? 108 PHE A C 1 O49373 UNP 108 F +ATOM 878 C CB . PHE A 1 108 ? 13.211 3.119 1.794 1.0 95.11 ? 108 PHE A CB 1 O49373 UNP 108 F +ATOM 879 O O . PHE A 1 108 ? 14.522 3.045 4.300 1.0 95.11 ? 108 PHE A O 1 O49373 UNP 108 F +ATOM 880 C CG . PHE A 1 108 ? 12.068 3.412 0.836 1.0 95.11 ? 108 PHE A CG 1 O49373 UNP 108 F +ATOM 881 C CD1 . PHE A 1 108 ? 10.737 3.259 1.267 1.0 95.11 ? 108 PHE A CD1 1 O49373 UNP 108 F +ATOM 882 C CD2 . PHE A 1 108 ? 12.316 3.802 -0.493 1.0 95.11 ? 108 PHE A CD2 1 O49373 UNP 108 F +ATOM 883 C CE1 . PHE A 1 108 ? 9.671 3.488 0.380 1.0 95.11 ? 108 PHE A CE1 1 O49373 UNP 108 F +ATOM 884 C CE2 . PHE A 1 108 ? 11.253 4.047 -1.379 1.0 95.11 ? 108 PHE A CE2 1 O49373 UNP 108 F +ATOM 885 C CZ . PHE A 1 108 ? 9.927 3.884 -0.943 1.0 95.11 ? 108 PHE A CZ 1 O49373 UNP 108 F +ATOM 886 N N . ASP A 1 109 ? 15.848 4.802 3.858 1.0 94.92 ? 109 ASP A N 1 O49373 UNP 109 D +ATOM 887 C CA . ASP A 1 109 ? 16.849 4.569 4.911 1.0 94.92 ? 109 ASP A CA 1 O49373 UNP 109 D +ATOM 888 C C . ASP A 1 109 ? 16.241 4.431 6.315 1.0 94.92 ? 109 ASP A C 1 O49373 UNP 109 D +ATOM 889 C CB . ASP A 1 109 ? 17.927 5.675 4.863 1.0 94.92 ? 109 ASP A CB 1 O49373 UNP 109 D +ATOM 890 O O . ASP A 1 109 ? 16.704 3.610 7.103 1.0 94.92 ? 109 ASP A O 1 O49373 UNP 109 D +ATOM 891 C CG . ASP A 1 109 ? 17.422 7.121 5.027 1.0 94.92 ? 109 ASP A CG 1 O49373 UNP 109 D +ATOM 892 O OD1 . ASP A 1 109 ? 16.189 7.346 5.072 1.0 94.92 ? 109 ASP A OD1 1 O49373 UNP 109 D +ATOM 893 O OD2 . ASP A 1 109 ? 18.259 8.051 4.996 1.0 94.92 ? 109 ASP A OD2 1 O49373 UNP 109 D +ATOM 894 N N . VAL A 1 110 ? 15.142 5.139 6.593 1.0 95.26 ? 110 VAL A N 1 O49373 UNP 110 V +ATOM 895 C CA . VAL A 1 110 ? 14.363 5.025 7.839 1.0 95.26 ? 110 VAL A CA 1 O49373 UNP 110 V +ATOM 896 C C . VAL A 1 110 ? 13.873 3.594 8.110 1.0 95.26 ? 110 VAL A C 1 O49373 UNP 110 V +ATOM 897 C CB . VAL A 1 110 ? 13.163 5.997 7.814 1.0 95.26 ? 110 VAL A CB 1 O49373 UNP 110 V +ATOM 898 O O . VAL A 1 110 ? 13.691 3.216 9.265 1.0 95.26 ? 110 VAL A O 1 O49373 UNP 110 V +ATOM 899 C CG1 . VAL A 1 110 ? 12.353 5.926 9.113 1.0 95.26 ? 110 VAL A CG1 1 O49373 UNP 110 V +ATOM 900 C CG2 . VAL A 1 110 ? 13.615 7.453 7.627 1.0 95.26 ? 110 VAL A CG2 1 O49373 UNP 110 V +ATOM 901 N N . LEU A 1 111 ? 13.679 2.768 7.076 1.0 95.23 ? 111 LEU A N 1 O49373 UNP 111 L +ATOM 902 C CA . LEU A 1 111 ? 13.274 1.360 7.206 1.0 95.23 ? 111 LEU A CA 1 O49373 UNP 111 L +ATOM 903 C C . LEU A 1 111 ? 14.456 0.386 7.319 1.0 95.23 ? 111 LEU A C 1 O49373 UNP 111 L +ATOM 904 C CB . LEU A 1 111 ? 12.355 0.969 6.035 1.0 95.23 ? 111 LEU A CB 1 O49373 UNP 111 L +ATOM 905 O O . LEU A 1 111 ? 14.227 -0.827 7.325 1.0 95.23 ? 111 LEU A O 1 O49373 UNP 111 L +ATOM 906 C CG . LEU A 1 111 ? 11.070 1.795 5.897 1.0 95.23 ? 111 LEU A CG 1 O49373 UNP 111 L +ATOM 907 C CD1 . LEU A 1 111 ? 10.255 1.240 4.725 1.0 95.23 ? 111 LEU A CD1 1 O49373 UNP 111 L +ATOM 908 C CD2 . LEU A 1 111 ? 10.210 1.737 7.160 1.0 95.23 ? 111 LEU A CD2 1 O49373 UNP 111 L +ATOM 909 N N . GLY A 1 112 ? 15.689 0.900 7.356 1.0 94.86 ? 112 GLY A N 1 O49373 UNP 112 G +ATOM 910 C CA . GLY A 1 112 ? 16.922 0.137 7.530 1.0 94.86 ? 112 GLY A CA 1 O49373 UNP 112 G +ATOM 911 C C . GLY A 1 112 ? 17.005 -1.113 6.655 1.0 94.86 ? 112 GLY A C 1 O49373 UNP 112 G +ATOM 912 O O . GLY A 1 112 ? 16.622 -1.095 5.481 1.0 94.86 ? 112 GLY A O 1 O49373 UNP 112 G +ATOM 913 N N . ASP A 1 113 ? 17.466 -2.217 7.239 1.0 94.75 ? 113 ASP A N 1 O49373 UNP 113 D +ATOM 914 C CA . ASP A 1 113 ? 17.616 -3.519 6.581 1.0 94.75 ? 113 ASP A CA 1 O49373 UNP 113 D +ATOM 915 C C . ASP A 1 113 ? 16.376 -4.409 6.800 1.0 94.75 ? 113 ASP A C 1 O49373 UNP 113 D +ATOM 916 C CB . ASP A 1 113 ? 18.946 -4.171 6.994 1.0 94.75 ? 113 ASP A CB 1 O49373 UNP 113 D +ATOM 917 O O . ASP A 1 113 ? 16.464 -5.596 7.119 1.0 94.75 ? 113 ASP A O 1 O49373 UNP 113 D +ATOM 918 C CG . ASP A 1 113 ? 20.151 -3.346 6.524 1.0 94.75 ? 113 ASP A CG 1 O49373 UNP 113 D +ATOM 919 O OD1 . ASP A 1 113 ? 20.234 -3.119 5.294 1.0 94.75 ? 113 ASP A OD1 1 O49373 UNP 113 D +ATOM 920 O OD2 . ASP A 1 113 ? 20.975 -2.947 7.387 1.0 94.75 ? 113 ASP A OD2 1 O49373 UNP 113 D +ATOM 921 N N . SER A 1 114 ? 15.183 -3.834 6.631 1.0 95.39 ? 114 SER A N 1 O49373 UNP 114 S +ATOM 922 C CA . SER A 1 114 ? 13.914 -4.558 6.745 1.0 95.39 ? 114 SER A CA 1 O49373 UNP 114 S +ATOM 923 C C . SER A 1 114 ? 13.595 -5.431 5.525 1.0 95.39 ? 114 SER A C 1 O49373 UNP 114 S +ATOM 924 C CB . SER A 1 114 ? 12.762 -3.585 6.999 1.0 95.39 ? 114 SER A CB 1 O49373 UNP 114 S +ATOM 925 O O . SER A 1 114 ? 14.166 -5.307 4.436 1.0 95.39 ? 114 SER A O 1 O49373 UNP 114 S +ATOM 926 O OG . SER A 1 114 ? 12.540 -2.760 5.871 1.0 95.39 ? 114 SER A OG 1 O49373 UNP 114 S +ATOM 927 N N . PHE A 1 115 ? 12.581 -6.290 5.651 1.0 92.67 ? 115 PHE A N 1 O49373 UNP 115 F +ATOM 928 C CA . PHE A 1 115 ? 12.090 -7.111 4.534 1.0 92.67 ? 115 PHE A CA 1 O49373 UNP 115 F +ATOM 929 C C . PHE A 1 115 ? 11.557 -6.312 3.326 1.0 92.67 ? 115 PHE A C 1 O49373 UNP 115 F +ATOM 930 C CB . PHE A 1 115 ? 11.004 -8.058 5.049 1.0 92.67 ? 115 PHE A CB 1 O49373 UNP 115 F +ATOM 931 O O . PHE A 1 115 ? 11.358 -6.886 2.246 1.0 92.67 ? 115 PHE A O 1 O49373 UNP 115 F +ATOM 932 C CG . PHE A 1 115 ? 9.638 -7.413 5.255 1.0 92.67 ? 115 PHE A CG 1 O49373 UNP 115 F +ATOM 933 C CD1 . PHE A 1 115 ? 9.305 -6.778 6.468 1.0 92.67 ? 115 PHE A CD1 1 O49373 UNP 115 F +ATOM 934 C CD2 . PHE A 1 115 ? 8.700 -7.429 4.203 1.0 92.67 ? 115 PHE A CD2 1 O49373 UNP 115 F +ATOM 935 C CE1 . PHE A 1 115 ? 8.043 -6.176 6.623 1.0 92.67 ? 115 PHE A CE1 1 O49373 UNP 115 F +ATOM 936 C CE2 . PHE A 1 115 ? 7.446 -6.808 4.353 1.0 92.67 ? 115 PHE A CE2 1 O49373 UNP 115 F +ATOM 937 C CZ . PHE A 1 115 ? 7.118 -6.179 5.565 1.0 92.67 ? 115 PHE A CZ 1 O49373 UNP 115 F +ATOM 938 N N . ILE A 1 116 ? 11.286 -5.012 3.498 1.0 93.63 ? 116 ILE A N 1 O49373 UNP 116 I +ATOM 939 C CA . ILE A 1 116 ? 10.799 -4.111 2.444 1.0 93.63 ? 116 ILE A CA 1 O49373 UNP 116 I +ATOM 940 C C . ILE A 1 116 ? 11.958 -3.636 1.557 1.0 93.63 ? 116 ILE A C 1 O49373 UNP 116 I +ATOM 941 C CB . ILE A 1 116 ? 10.031 -2.917 3.072 1.0 93.63 ? 116 ILE A CB 1 O49373 UNP 116 I +ATOM 942 O O . ILE A 1 116 ? 11.798 -3.558 0.333 1.0 93.63 ? 116 ILE A O 1 O49373 UNP 116 I +ATOM 943 C CG1 . ILE A 1 116 ? 8.778 -3.427 3.825 1.0 93.63 ? 116 ILE A CG1 1 O49373 UNP 116 I +ATOM 944 C CG2 . ILE A 1 116 ? 9.632 -1.884 1.997 1.0 93.63 ? 116 ILE A CG2 1 O49373 UNP 116 I +ATOM 945 C CD1 . ILE A 1 116 ? 7.974 -2.342 4.556 1.0 93.63 ? 116 ILE A CD1 1 O49373 UNP 116 I +ATOM 946 N N . THR A 1 117 ? 13.104 -3.324 2.167 1.0 96.06 ? 117 THR A N 1 O49373 UNP 117 T +ATOM 947 C CA . THR A 1 117 ? 14.263 -2.664 1.543 1.0 96.06 ? 117 THR A CA 1 O49373 UNP 117 T +ATOM 948 C C . THR A 1 117 ? 15.352 -3.642 1.109 1.0 96.06 ? 117 THR A C 1 O49373 UNP 117 T +ATOM 949 C CB . THR A 1 117 ? 14.885 -1.668 2.536 1.0 96.06 ? 117 THR A CB 1 O49373 UNP 117 T +ATOM 950 O O . THR A 1 117 ? 16.086 -3.355 0.166 1.0 96.06 ? 117 THR A O 1 O49373 UNP 117 T +ATOM 951 C CG2 . THR A 1 117 ? 13.950 -0.517 2.895 1.0 96.06 ? 117 THR A CG2 1 O49373 UNP 117 T +ATOM 952 O OG1 . THR A 1 117 ? 15.179 -2.370 3.713 1.0 96.06 ? 117 THR A OG1 1 O49373 UNP 117 T +ATOM 953 N N . THR A 1 118 ? 15.462 -4.795 1.769 1.0 95.84 ? 118 THR A N 1 O49373 UNP 118 T +ATOM 954 C CA . THR A 1 118 ? 16.473 -5.821 1.474 1.0 95.84 ? 118 THR A CA 1 O49373 UNP 118 T +ATOM 955 C C . THR A 1 118 ? 16.132 -6.634 0.229 1.0 95.84 ? 118 THR A C 1 O49373 UNP 118 T +ATOM 956 C CB . THR A 1 118 ? 16.686 -6.762 2.668 1.0 95.84 ? 118 THR A CB 1 O49373 UNP 118 T +ATOM 957 O O . THR A 1 118 ? 14.967 -6.751 -0.160 1.0 95.84 ? 118 THR A O 1 O49373 UNP 118 T +ATOM 958 C CG2 . THR A 1 118 ? 17.306 -6.023 3.849 1.0 95.84 ? 118 THR A CG2 1 O49373 UNP 118 T +ATOM 959 O OG1 . THR A 1 118 ? 15.462 -7.322 3.082 1.0 95.84 ? 118 THR A OG1 1 O49373 UNP 118 T +ATOM 960 N N . ASP A 1 119 ? 17.154 -7.232 -0.387 1.0 95.49 ? 119 ASP A N 1 O49373 UNP 119 D +ATOM 961 C CA . ASP A 1 119 ? 17.082 -8.084 -1.578 1.0 95.49 ? 119 ASP A CA 1 O49373 UNP 119 D +ATOM 962 C C . ASP A 1 119 ? 17.823 -9.421 -1.364 1.0 95.49 ? 119 ASP A C 1 O49373 UNP 119 D +ATOM 963 C CB . ASP A 1 119 ? 17.622 -7.304 -2.795 1.0 95.49 ? 119 ASP A CB 1 O49373 UNP 119 D +ATOM 964 O O . ASP A 1 119 ? 18.352 -9.701 -0.285 1.0 95.49 ? 119 ASP A O 1 O49373 UNP 119 D +ATOM 965 C CG . ASP A 1 119 ? 16.662 -6.223 -3.302 1.0 95.49 ? 119 ASP A CG 1 O49373 UNP 119 D +ATOM 966 O OD1 . ASP A 1 119 ? 15.502 -6.567 -3.652 1.0 95.49 ? 119 ASP A OD1 1 O49373 UNP 119 D +ATOM 967 O OD2 . ASP A 1 119 ? 17.104 -5.071 -3.494 1.0 95.49 ? 119 ASP A OD2 1 O49373 UNP 119 D +ATOM 968 N N . SER A 1 120 ? 17.850 -10.261 -2.404 1.0 93.22 ? 120 SER A N 1 O49373 UNP 120 S +ATOM 969 C CA . SER A 1 120 ? 18.675 -11.477 -2.469 1.0 93.22 ? 120 SER A CA 1 O49373 UNP 120 S +ATOM 970 C C . SER A 1 120 ? 18.420 -12.463 -1.314 1.0 93.22 ? 120 SER A C 1 O49373 UNP 120 S +ATOM 971 C CB . SER A 1 120 ? 20.149 -11.064 -2.627 1.0 93.22 ? 120 SER A CB 1 O49373 UNP 120 S +ATOM 972 O O . SER A 1 120 ? 17.274 -12.663 -0.902 1.0 93.22 ? 120 SER A O 1 O49373 UNP 120 S +ATOM 973 O OG . SER A 1 120 ? 20.283 -10.233 -3.762 1.0 93.22 ? 120 SER A OG 1 O49373 UNP 120 S +ATOM 974 N N . GLU A 1 121 ? 19.460 -13.150 -0.833 1.0 94.37 ? 121 GLU A N 1 O49373 UNP 121 E +ATOM 975 C CA . GLU A 1 121 ? 19.333 -14.226 0.155 1.0 94.37 ? 121 GLU A CA 1 O49373 UNP 121 E +ATOM 976 C C . GLU A 1 121 ? 18.835 -13.748 1.523 1.0 94.37 ? 121 GLU A C 1 O49373 UNP 121 E +ATOM 977 C CB . GLU A 1 121 ? 20.672 -14.972 0.295 1.0 94.37 ? 121 GLU A CB 1 O49373 UNP 121 E +ATOM 978 O O . GLU A 1 121 ? 18.064 -14.469 2.162 1.0 94.37 ? 121 GLU A O 1 O49373 UNP 121 E +ATOM 979 C CG . GLU A 1 121 ? 21.090 -15.721 -0.982 1.0 94.37 ? 121 GLU A CG 1 O49373 UNP 121 E +ATOM 980 C CD . GLU A 1 121 ? 19.966 -16.627 -1.510 1.0 94.37 ? 121 GLU A CD 1 O49373 UNP 121 E +ATOM 981 O OE1 . GLU A 1 121 ? 19.604 -16.496 -2.706 1.0 94.37 ? 121 GLU A OE1 1 O49373 UNP 121 E +ATOM 982 O OE2 . GLU A 1 121 ? 19.336 -17.348 -0.705 1.0 94.37 ? 121 GLU A OE2 1 O49373 UNP 121 E +ATOM 983 N N . LEU A 1 122 ? 19.196 -12.529 1.947 1.0 94.25 ? 122 LEU A N 1 O49373 UNP 122 L +ATOM 984 C CA . LEU A 1 122 ? 18.700 -11.944 3.197 1.0 94.25 ? 122 LEU A CA 1 O49373 UNP 122 L +ATOM 985 C C . LEU A 1 122 ? 17.175 -11.801 3.153 1.0 94.25 ? 122 LEU A C 1 O49373 UNP 122 L +ATOM 986 C CB . LEU A 1 122 ? 19.397 -10.594 3.447 1.0 94.25 ? 122 LEU A CB 1 O49373 UNP 122 L +ATOM 987 O O . LEU A 1 122 ? 16.474 -12.322 4.024 1.0 94.25 ? 122 LEU A O 1 O49373 UNP 122 L +ATOM 988 C CG . LEU A 1 122 ? 18.931 -9.874 4.729 1.0 94.25 ? 122 LEU A CG 1 O49373 UNP 122 L +ATOM 989 C CD1 . LEU A 1 122 ? 19.162 -10.727 5.976 1.0 94.25 ? 122 LEU A CD1 1 O49373 UNP 122 L +ATOM 990 C CD2 . LEU A 1 122 ? 19.701 -8.566 4.890 1.0 94.25 ? 122 LEU A CD2 1 O49373 UNP 122 L +ATOM 991 N N . TRP A 1 123 ? 16.652 -11.205 2.077 1.0 95.54 ? 123 TRP A N 1 O49373 UNP 123 W +ATOM 992 C CA . TRP A 1 123 ? 15.210 -11.104 1.879 1.0 95.54 ? 123 TRP A CA 1 O49373 UNP 123 W +ATOM 993 C C . TRP A 1 123 ? 14.540 -12.480 1.799 1.0 95.54 ? 123 TRP A C 1 O49373 UNP 123 W +ATOM 994 C CB . TRP A 1 123 ? 14.897 -10.294 0.621 1.0 95.54 ? 123 TRP A CB 1 O49373 UNP 123 W +ATOM 995 O O . TRP A 1 123 ? 13.487 -12.678 2.400 1.0 95.54 ? 123 TRP A O 1 O49373 UNP 123 W +ATOM 996 C CG . TRP A 1 123 ? 13.457 -10.401 0.234 1.0 95.54 ? 123 TRP A CG 1 O49373 UNP 123 W +ATOM 997 C CD1 . TRP A 1 123 ? 12.431 -9.857 0.922 1.0 95.54 ? 123 TRP A CD1 1 O49373 UNP 123 W +ATOM 998 C CD2 . TRP A 1 123 ? 12.857 -11.235 -0.799 1.0 95.54 ? 123 TRP A CD2 1 O49373 UNP 123 W +ATOM 999 C CE2 . TRP A 1 123 ? 11.438 -11.148 -0.674 1.0 95.54 ? 123 TRP A CE2 1 O49373 UNP 123 W +ATOM 1000 C CE3 . TRP A 1 123 ? 13.369 -12.083 -1.804 1.0 95.54 ? 123 TRP A CE3 1 O49373 UNP 123 W +ATOM 1001 N NE1 . TRP A 1 123 ? 11.235 -10.279 0.380 1.0 95.54 ? 123 TRP A NE1 1 O49373 UNP 123 W +ATOM 1002 C CH2 . TRP A 1 123 ? 11.114 -12.689 -2.510 1.0 95.54 ? 123 TRP A CH2 1 O49373 UNP 123 W +ATOM 1003 C CZ2 . TRP A 1 123 ? 10.572 -11.857 -1.517 1.0 95.54 ? 123 TRP A CZ2 1 O49373 UNP 123 W +ATOM 1004 C CZ3 . TRP A 1 123 ? 12.507 -12.803 -2.653 1.0 95.54 ? 123 TRP A CZ3 1 O49373 UNP 123 W +ATOM 1005 N N . LYS A 1 124 ? 15.128 -13.456 1.092 1.0 95.02 ? 124 LYS A N 1 O49373 UNP 124 K +ATOM 1006 C CA . LYS A 1 124 ? 14.564 -14.817 1.013 1.0 95.02 ? 124 LYS A CA 1 O49373 UNP 124 K +ATOM 1007 C C . LYS A 1 124 ? 14.486 -15.487 2.390 1.0 95.02 ? 124 LYS A C 1 O49373 UNP 124 K +ATOM 1008 C CB . LYS A 1 124 ? 15.387 -15.696 0.064 1.0 95.02 ? 124 LYS A CB 1 O49373 UNP 124 K +ATOM 1009 O O . LYS A 1 124 ? 13.500 -16.171 2.663 1.0 95.02 ? 124 LYS A O 1 O49373 UNP 124 K +ATOM 1010 C CG . LYS A 1 124 ? 15.237 -15.338 -1.423 1.0 95.02 ? 124 LYS A CG 1 O49373 UNP 124 K +ATOM 1011 C CD . LYS A 1 124 ? 16.194 -16.226 -2.226 1.0 95.02 ? 124 LYS A CD 1 O49373 UNP 124 K +ATOM 1012 C CE . LYS A 1 124 ? 16.323 -15.821 -3.696 1.0 95.02 ? 124 LYS A CE 1 O49373 UNP 124 K +ATOM 1013 N NZ . LYS A 1 124 ? 17.437 -16.577 -4.322 1.0 95.02 ? 124 LYS A NZ 1 O49373 UNP 124 K +ATOM 1014 N N . ASN A 1 125 ? 15.490 -15.294 3.249 1.0 94.82 ? 125 ASN A N 1 O49373 UNP 125 N +ATOM 1015 C CA . ASN A 1 125 ? 15.506 -15.826 4.616 1.0 94.82 ? 125 ASN A CA 1 O49373 UNP 125 N +ATOM 1016 C C . ASN A 1 125 ? 14.397 -15.183 5.463 1.0 94.82 ? 125 ASN A C 1 O49373 UNP 125 N +ATOM 1017 C CB . ASN A 1 125 ? 16.902 -15.640 5.245 1.0 94.82 ? 125 ASN A CB 1 O49373 UNP 125 N +ATOM 1018 O O . ASN A 1 125 ? 13.596 -15.914 6.045 1.0 94.82 ? 125 ASN A O 1 O49373 UNP 125 N +ATOM 1019 C CG . ASN A 1 125 ? 17.872 -16.753 4.888 1.0 94.82 ? 125 ASN A CG 1 O49373 UNP 125 N +ATOM 1020 N ND2 . ASN A 1 125 ? 18.205 -16.918 3.631 1.0 94.82 ? 125 ASN A ND2 1 O49373 UNP 125 N +ATOM 1021 O OD1 . ASN A 1 125 ? 18.338 -17.494 5.735 1.0 94.82 ? 125 ASN A OD1 1 O49373 UNP 125 N +ATOM 1022 N N . MET A 1 126 ? 14.284 -13.846 5.445 1.0 95.16 ? 126 MET A N 1 O49373 UNP 126 M +ATOM 1023 C CA . MET A 1 126 ? 13.190 -13.115 6.108 1.0 95.16 ? 126 MET A CA 1 O49373 UNP 126 M +ATOM 1024 C C . MET A 1 126 ? 11.823 -13.561 5.586 1.0 95.16 ? 126 MET A C 1 O49373 UNP 126 M +ATOM 1025 C CB . MET A 1 126 ? 13.320 -11.606 5.855 1.0 95.16 ? 126 MET A CB 1 O49373 UNP 126 M +ATOM 1026 O O . MET A 1 126 ? 10.904 -13.838 6.344 1.0 95.16 ? 126 MET A O 1 O49373 UNP 126 M +ATOM 1027 C CG . MET A 1 126 ? 14.508 -10.957 6.556 1.0 95.16 ? 126 MET A CG 1 O49373 UNP 126 M +ATOM 1028 S SD . MET A 1 126 ? 14.697 -9.223 6.089 1.0 95.16 ? 126 MET A SD 1 O49373 UNP 126 M +ATOM 1029 C CE . MET A 1 126 ? 16.112 -8.795 7.130 1.0 95.16 ? 126 MET A CE 1 O49373 UNP 126 M +ATOM 1030 N N . ARG A 1 127 ? 11.679 -13.681 4.264 1.0 95.33 ? 127 ARG A N 1 O49373 UNP 127 R +ATOM 1031 C CA . ARG A 1 127 ? 10.423 -14.073 3.625 1.0 95.33 ? 127 ARG A CA 1 O49373 UNP 127 R +ATOM 1032 C C . ARG A 1 127 ? 9.967 -15.450 4.098 1.0 95.33 ? 127 ARG A C 1 O49373 UNP 127 R +ATOM 1033 C CB . ARG A 1 127 ? 10.603 -14.017 2.100 1.0 95.33 ? 127 ARG A CB 1 O49373 UNP 127 R +ATOM 1034 O O . ARG A 1 127 ? 8.811 -15.588 4.484 1.0 95.33 ? 127 ARG A O 1 O49373 UNP 127 R +ATOM 1035 C CG . ARG A 1 127 ? 9.327 -14.341 1.321 1.0 95.33 ? 127 ARG A CG 1 O49373 UNP 127 R +ATOM 1036 C CD . ARG A 1 127 ? 8.293 -13.234 1.496 1.0 95.33 ? 127 ARG A CD 1 O49373 UNP 127 R +ATOM 1037 N NE . ARG A 1 127 ? 7.052 -13.605 0.811 1.0 95.33 ? 127 ARG A NE 1 O49373 UNP 127 R +ATOM 1038 N NH1 . ARG A 1 127 ? 6.277 -11.487 0.387 1.0 95.33 ? 127 ARG A NH1 1 O49373 UNP 127 R +ATOM 1039 N NH2 . ARG A 1 127 ? 5.068 -13.272 -0.190 1.0 95.33 ? 127 ARG A NH2 1 O49373 UNP 127 R +ATOM 1040 C CZ . ARG A 1 127 ? 6.148 -12.783 0.334 1.0 95.33 ? 127 ARG A CZ 1 O49373 UNP 127 R +ATOM 1041 N N . LYS A 1 128 ? 10.858 -16.445 4.079 1.0 95.09 ? 128 LYS A N 1 O49373 UNP 128 K +ATOM 1042 C CA . LYS A 1 128 ? 10.548 -17.813 4.517 1.0 95.09 ? 128 LYS A CA 1 O49373 UNP 128 K +ATOM 1043 C C . LYS A 1 128 ? 10.179 -17.862 5.998 1.0 95.09 ? 128 LYS A C 1 O49373 UNP 128 K +ATOM 1044 C CB . LYS A 1 128 ? 11.739 -18.742 4.248 1.0 95.09 ? 128 LYS A CB 1 O49373 UNP 128 K +ATOM 1045 O O . LYS A 1 128 ? 9.189 -18.505 6.344 1.0 95.09 ? 128 LYS A O 1 O49373 UNP 128 K +ATOM 1046 C CG . LYS A 1 128 ? 11.903 -19.099 2.764 1.0 95.09 ? 128 LYS A CG 1 O49373 UNP 128 K +ATOM 1047 C CD . LYS A 1 128 ? 13.152 -19.972 2.585 1.0 95.09 ? 128 LYS A CD 1 O49373 UNP 128 K +ATOM 1048 C CE . LYS A 1 128 ? 13.357 -20.350 1.115 1.0 95.09 ? 128 LYS A CE 1 O49373 UNP 128 K +ATOM 1049 N NZ . LYS A 1 128 ? 14.558 -21.209 0.941 1.0 95.09 ? 128 LYS A NZ 1 O49373 UNP 128 K +ATOM 1050 N N . SER A 1 129 ? 10.935 -17.175 6.858 1.0 94.80 ? 129 SER A N 1 O49373 UNP 129 S +ATOM 1051 C CA . SER A 1 129 ? 10.638 -17.153 8.291 1.0 94.80 ? 129 SER A CA 1 O49373 UNP 129 S +ATOM 1052 C C . SER A 1 129 ? 9.293 -16.475 8.564 1.0 94.80 ? 129 SER A C 1 O49373 UNP 129 S +ATOM 1053 C CB . SER A 1 129 ? 11.789 -16.520 9.082 1.0 94.80 ? 129 SER A CB 1 O49373 UNP 129 S +ATOM 1054 O O . SER A 1 129 ? 8.462 -17.035 9.276 1.0 94.80 ? 129 SER A O 1 O49373 UNP 129 S +ATOM 1055 O OG . SER A 1 129 ? 11.900 -15.139 8.821 1.0 94.80 ? 129 SER A OG 1 O49373 UNP 129 S +ATOM 1056 N N . TYR A 1 130 ? 9.021 -15.327 7.938 1.0 94.92 ? 130 TYR A N 1 O49373 UNP 130 Y +ATOM 1057 C CA . TYR A 1 130 ? 7.787 -14.562 8.150 1.0 94.92 ? 130 TYR A CA 1 O49373 UNP 130 Y +ATOM 1058 C C . TYR A 1 130 ? 6.566 -15.283 7.592 1.0 94.92 ? 130 TYR A C 1 O49373 UNP 130 Y +ATOM 1059 C CB . TYR A 1 130 ? 7.920 -13.154 7.546 1.0 94.92 ? 130 TYR A CB 1 O49373 UNP 130 Y +ATOM 1060 O O . TYR A 1 130 ? 5.507 -15.255 8.211 1.0 94.92 ? 130 TYR A O 1 O49373 UNP 130 Y +ATOM 1061 C CG . TYR A 1 130 ? 9.017 -12.264 8.117 1.0 94.92 ? 130 TYR A CG 1 O49373 UNP 130 Y +ATOM 1062 C CD1 . TYR A 1 130 ? 9.789 -12.674 9.220 1.0 94.92 ? 130 TYR A CD1 1 O49373 UNP 130 Y +ATOM 1063 C CD2 . TYR A 1 130 ? 9.285 -11.009 7.536 1.0 94.92 ? 130 TYR A CD2 1 O49373 UNP 130 Y +ATOM 1064 C CE1 . TYR A 1 130 ? 10.845 -11.903 9.709 1.0 94.92 ? 130 TYR A CE1 1 O49373 UNP 130 Y +ATOM 1065 C CE2 . TYR A 1 130 ? 10.326 -10.208 8.051 1.0 94.92 ? 130 TYR A CE2 1 O49373 UNP 130 Y +ATOM 1066 O OH . TYR A 1 130 ? 12.195 -9.980 9.557 1.0 94.92 ? 130 TYR A OH 1 O49373 UNP 130 Y +ATOM 1067 C CZ . TYR A 1 130 ? 11.128 -10.674 9.110 1.0 94.92 ? 130 TYR A CZ 1 O49373 UNP 130 Y +ATOM 1068 N N . GLN A 1 131 ? 6.705 -15.984 6.463 1.0 94.78 ? 131 GLN A N 1 O49373 UNP 131 Q +ATOM 1069 C CA . GLN A 1 131 ? 5.653 -16.873 5.971 1.0 94.78 ? 131 GLN A CA 1 O49373 UNP 131 Q +ATOM 1070 C C . GLN A 1 131 ? 5.321 -17.950 7.000 1.0 94.78 ? 131 GLN A C 1 O49373 UNP 131 Q +ATOM 1071 C CB . GLN A 1 131 ? 6.051 -17.517 4.634 1.0 94.78 ? 131 GLN A CB 1 O49373 UNP 131 Q +ATOM 1072 O O . GLN A 1 131 ? 4.147 -18.118 7.312 1.0 94.78 ? 131 GLN A O 1 O49373 UNP 131 Q +ATOM 1073 C CG . GLN A 1 131 ? 5.886 -16.507 3.501 1.0 94.78 ? 131 GLN A CG 1 O49373 UNP 131 Q +ATOM 1074 C CD . GLN A 1 131 ? 6.352 -17.002 2.141 1.0 94.78 ? 131 GLN A CD 1 O49373 UNP 131 Q +ATOM 1075 N NE2 . GLN A 1 131 ? 5.610 -16.725 1.088 1.0 94.78 ? 131 GLN A NE2 1 O49373 UNP 131 Q +ATOM 1076 O OE1 . GLN A 1 131 ? 7.403 -17.588 1.967 1.0 94.78 ? 131 GLN A OE1 1 O49373 UNP 131 Q +ATOM 1077 N N . ALA A 1 132 ? 6.322 -18.631 7.560 1.0 93.17 ? 132 ALA A N 1 O49373 UNP 132 A +ATOM 1078 C CA . ALA A 1 132 ? 6.084 -19.662 8.566 1.0 93.17 ? 132 ALA A CA 1 O49373 UNP 132 A +ATOM 1079 C C . ALA A 1 132 ? 5.386 -19.104 9.820 1.0 93.17 ? 132 ALA A C 1 O49373 UNP 132 A +ATOM 1080 C CB . ALA A 1 132 ? 7.419 -20.336 8.899 1.0 93.17 ? 132 ALA A CB 1 O49373 UNP 132 A +ATOM 1081 O O . ALA A 1 132 ? 4.439 -19.714 10.306 1.0 93.17 ? 132 ALA A O 1 O49373 UNP 132 A +ATOM 1082 N N . MET A 1 133 ? 5.800 -17.927 10.302 1.0 92.76 ? 133 MET A N 1 O49373 UNP 133 M +ATOM 1083 C CA . MET A 1 133 ? 5.180 -17.279 11.465 1.0 92.76 ? 133 MET A CA 1 O49373 UNP 133 M +ATOM 1084 C C . MET A 1 133 ? 3.726 -16.879 11.200 1.0 92.76 ? 133 MET A C 1 O49373 UNP 133 M +ATOM 1085 C CB . MET A 1 133 ? 6.002 -16.055 11.884 1.0 92.76 ? 133 MET A CB 1 O49373 UNP 133 M +ATOM 1086 O O . MET A 1 133 ? 2.835 -17.267 11.951 1.0 92.76 ? 133 MET A O 1 O49373 UNP 133 M +ATOM 1087 C CG . MET A 1 133 ? 7.281 -16.480 12.603 1.0 92.76 ? 133 MET A CG 1 O49373 UNP 133 M +ATOM 1088 S SD . MET A 1 133 ? 8.351 -15.094 13.048 1.0 92.76 ? 133 MET A SD 1 O49373 UNP 133 M +ATOM 1089 C CE . MET A 1 133 ? 9.495 -15.191 11.674 1.0 92.76 ? 133 MET A CE 1 O49373 UNP 133 M +ATOM 1090 N N . LEU A 1 134 ? 3.469 -16.160 10.104 1.0 93.01 ? 134 LEU A N 1 O49373 UNP 134 L +ATOM 1091 C CA . LEU A 1 134 ? 2.138 -15.637 9.789 1.0 93.01 ? 134 LEU A CA 1 O49373 UNP 134 L +ATOM 1092 C C . LEU A 1 134 ? 1.125 -16.735 9.440 1.0 93.01 ? 134 LEU A C 1 O49373 UNP 134 L +ATOM 1093 C CB . LEU A 1 134 ? 2.243 -14.636 8.628 1.0 93.01 ? 134 LEU A CB 1 O49373 UNP 134 L +ATOM 1094 O O . LEU A 1 134 ? -0.062 -16.539 9.666 1.0 93.01 ? 134 LEU A O 1 O49373 UNP 134 L +ATOM 1095 C CG . LEU A 1 134 ? 2.997 -13.336 8.960 1.0 93.01 ? 134 LEU A CG 1 O49373 UNP 134 L +ATOM 1096 C CD1 . LEU A 1 134 ? 3.218 -12.563 7.663 1.0 93.01 ? 134 LEU A CD1 1 O49373 UNP 134 L +ATOM 1097 C CD2 . LEU A 1 134 ? 2.233 -12.438 9.926 1.0 93.01 ? 134 LEU A CD2 1 O49373 UNP 134 L +ATOM 1098 N N . HIS A 1 135 ? 1.557 -17.872 8.886 1.0 91.12 ? 135 HIS A N 1 O49373 UNP 135 H +ATOM 1099 C CA . HIS A 1 135 ? 0.661 -18.989 8.549 1.0 91.12 ? 135 HIS A CA 1 O49373 UNP 135 H +ATOM 1100 C C . HIS A 1 135 ? 0.493 -19.999 9.694 1.0 91.12 ? 135 HIS A C 1 O49373 UNP 135 H +ATOM 1101 C CB . HIS A 1 135 ? 1.118 -19.682 7.255 1.0 91.12 ? 135 HIS A CB 1 O49373 UNP 135 H +ATOM 1102 O O . HIS A 1 135 ? -0.261 -20.959 9.539 1.0 91.12 ? 135 HIS A O 1 O49373 UNP 135 H +ATOM 1103 C CG . HIS A 1 135 ? 1.036 -18.805 6.031 1.0 91.12 ? 135 HIS A CG 1 O49373 UNP 135 H +ATOM 1104 C CD2 . HIS A 1 135 ? 0.049 -18.775 5.084 1.0 91.12 ? 135 HIS A CD2 1 O49373 UNP 135 H +ATOM 1105 N ND1 . HIS A 1 135 ? 1.966 -17.868 5.668 1.0 91.12 ? 135 HIS A ND1 1 O49373 UNP 135 H +ATOM 1106 C CE1 . HIS A 1 135 ? 1.558 -17.277 4.538 1.0 91.12 ? 135 HIS A CE1 1 O49373 UNP 135 H +ATOM 1107 N NE2 . HIS A 1 135 ? 0.397 -17.804 4.131 1.0 91.12 ? 135 HIS A NE2 1 O49373 UNP 135 H +ATOM 1108 N N . SER A 1 136 ? 1.171 -19.808 10.832 1.0 91.95 ? 136 SER A N 1 O49373 UNP 136 S +ATOM 1109 C CA . SER A 1 136 ? 0.956 -20.653 12.011 1.0 91.95 ? 136 SER A CA 1 O49373 UNP 136 S +ATOM 1110 C C . SER A 1 136 ? -0.480 -20.505 12.525 1.0 91.95 ? 136 SER A C 1 O49373 UNP 136 S +ATOM 1111 C CB . SER A 1 136 ? 1.984 -20.368 13.111 1.0 91.95 ? 136 SER A CB 1 O49373 UNP 136 S +ATOM 1112 O O . SER A 1 136 ? -1.054 -19.411 12.510 1.0 91.95 ? 136 SER A O 1 O49373 UNP 136 S +ATOM 1113 O OG . SER A 1 136 ? 1.788 -19.097 13.695 1.0 91.95 ? 136 SER A OG 1 O49373 UNP 136 S +ATOM 1114 N N . GLN A 1 137 ? -1.085 -21.609 12.974 1.0 90.61 ? 137 GLN A N 1 O49373 UNP 137 Q +ATOM 1115 C CA . GLN A 1 137 ? -2.463 -21.585 13.477 1.0 90.61 ? 137 GLN A CA 1 O49373 UNP 137 Q +ATOM 1116 C C . GLN A 1 137 ? -2.570 -20.728 14.740 1.0 90.61 ? 137 GLN A C 1 O49373 UNP 137 Q +ATOM 1117 C CB . GLN A 1 137 ? -2.939 -23.004 13.805 1.0 90.61 ? 137 GLN A CB 1 O49373 UNP 137 Q +ATOM 1118 O O . GLN A 1 137 ? -3.567 -20.044 14.954 1.0 90.61 ? 137 GLN A O 1 O49373 UNP 137 Q +ATOM 1119 C CG . GLN A 1 137 ? -3.083 -23.906 12.572 1.0 90.61 ? 137 GLN A CG 1 O49373 UNP 137 Q +ATOM 1120 C CD . GLN A 1 137 ? -3.651 -25.278 12.928 1.0 90.61 ? 137 GLN A CD 1 O49373 UNP 137 Q +ATOM 1121 N NE2 . GLN A 1 137 ? -3.645 -26.213 12.004 1.0 90.61 ? 137 GLN A NE2 1 O49373 UNP 137 Q +ATOM 1122 O OE1 . GLN A 1 137 ? -4.137 -25.528 14.024 1.0 90.61 ? 137 GLN A OE1 1 O49373 UNP 137 Q +ATOM 1123 N N . GLU A 1 138 ? -1.523 -20.749 15.557 1.0 91.14 ? 138 GLU A N 1 O49373 UNP 138 E +ATOM 1124 C CA . GLU A 1 138 ? -1.362 -19.961 16.769 1.0 91.14 ? 138 GLU A CA 1 O49373 UNP 138 E +ATOM 1125 C C . GLU A 1 138 ? -1.449 -18.468 16.451 1.0 91.14 ? 138 GLU A C 1 O49373 UNP 138 E +ATOM 1126 C CB . GLU A 1 138 ? -0.003 -20.293 17.414 1.0 91.14 ? 138 GLU A CB 1 O49373 UNP 138 E +ATOM 1127 O O . GLU A 1 138 ? -2.277 -17.770 17.033 1.0 91.14 ? 138 GLU A O 1 O49373 UNP 138 E +ATOM 1128 C CG . GLU A 1 138 ? 0.137 -21.741 17.918 1.0 91.14 ? 138 GLU A CG 1 O49373 UNP 138 E +ATOM 1129 C CD . GLU A 1 138 ? 0.205 -22.802 16.803 1.0 91.14 ? 138 GLU A CD 1 O49373 UNP 138 E +ATOM 1130 O OE1 . GLU A 1 138 ? -0.274 -23.925 17.062 1.0 91.14 ? 138 GLU A OE1 1 O49373 UNP 138 E +ATOM 1131 O OE2 . GLU A 1 138 ? 0.628 -22.471 15.667 1.0 91.14 ? 138 GLU A OE2 1 O49373 UNP 138 E +ATOM 1132 N N . PHE A 1 139 ? -0.672 -17.993 15.471 1.0 92.91 ? 139 PHE A N 1 O49373 UNP 139 F +ATOM 1133 C CA . PHE A 1 139 ? -0.704 -16.592 15.059 1.0 92.91 ? 139 PHE A CA 1 O49373 UNP 139 F +ATOM 1134 C C . PHE A 1 139 ? -2.049 -16.199 14.438 1.0 92.91 ? 139 PHE A C 1 O49373 UNP 139 F +ATOM 1135 C CB . PHE A 1 139 ? 0.439 -16.310 14.081 1.0 92.91 ? 139 PHE A CB 1 O49373 UNP 139 F +ATOM 1136 O O . PHE A 1 139 ? -2.555 -15.115 14.708 1.0 92.91 ? 139 PHE A O 1 O49373 UNP 139 F +ATOM 1137 C CG . PHE A 1 139 ? 0.513 -14.853 13.684 1.0 92.91 ? 139 PHE A CG 1 O49373 UNP 139 F +ATOM 1138 C CD1 . PHE A 1 139 ? -0.130 -14.401 12.516 1.0 92.91 ? 139 PHE A CD1 1 O49373 UNP 139 F +ATOM 1139 C CD2 . PHE A 1 139 ? 1.144 -13.932 14.536 1.0 92.91 ? 139 PHE A CD2 1 O49373 UNP 139 F +ATOM 1140 C CE1 . PHE A 1 139 ? -0.142 -13.031 12.207 1.0 92.91 ? 139 PHE A CE1 1 O49373 UNP 139 F +ATOM 1141 C CE2 . PHE A 1 139 ? 1.129 -12.562 14.230 1.0 92.91 ? 139 PHE A CE2 1 O49373 UNP 139 F +ATOM 1142 C CZ . PHE A 1 139 ? 0.495 -12.111 13.060 1.0 92.91 ? 139 PHE A CZ 1 O49373 UNP 139 F +ATOM 1143 N N . GLN A 1 140 ? -2.668 -17.068 13.634 1.0 91.51 ? 140 GLN A N 1 O49373 UNP 140 Q +ATOM 1144 C CA . GLN A 1 140 ? -3.984 -16.785 13.045 1.0 91.51 ? 140 GLN A CA 1 O49373 UNP 140 Q +ATOM 1145 C C . GLN A 1 140 ? -5.076 -16.652 14.118 1.0 91.51 ? 140 GLN A C 1 O49373 UNP 140 Q +ATOM 1146 C CB . GLN A 1 140 ? -4.338 -17.876 12.022 1.0 91.51 ? 140 GLN A CB 1 O49373 UNP 140 Q +ATOM 1147 O O . GLN A 1 140 ? -5.873 -15.712 14.075 1.0 91.51 ? 140 GLN A O 1 O49373 UNP 140 Q +ATOM 1148 C CG . GLN A 1 140 ? -3.465 -17.800 10.758 1.0 91.51 ? 140 GLN A CG 1 O49373 UNP 140 Q +ATOM 1149 C CD . GLN A 1 140 ? -3.711 -16.544 9.926 1.0 91.51 ? 140 GLN A CD 1 O49373 UNP 140 Q +ATOM 1150 N NE2 . GLN A 1 140 ? -2.728 -16.044 9.220 1.0 91.51 ? 140 GLN A NE2 1 O49373 UNP 140 Q +ATOM 1151 O OE1 . GLN A 1 140 ? -4.783 -15.970 9.882 1.0 91.51 ? 140 GLN A OE1 1 O49373 UNP 140 Q +ATOM 1152 N N . ARG A 1 141 ? -5.079 -17.536 15.129 1.0 91.51 ? 141 ARG A N 1 O49373 UNP 141 R +ATOM 1153 C CA . ARG A 1 141 ? -5.988 -17.435 16.285 1.0 91.51 ? 141 ARG A CA 1 O49373 UNP 141 R +ATOM 1154 C C . ARG A 1 141 ? -5.722 -16.168 17.097 1.0 91.51 ? 141 ARG A C 1 O49373 UNP 141 R +ATOM 1155 C CB . ARG A 1 141 ? -5.866 -18.666 17.197 1.0 91.51 ? 141 ARG A CB 1 O49373 UNP 141 R +ATOM 1156 O O . ARG A 1 141 ? -6.678 -15.474 17.438 1.0 91.51 ? 141 ARG A O 1 O49373 UNP 141 R +ATOM 1157 C CG . ARG A 1 141 ? -6.457 -19.955 16.606 1.0 91.51 ? 141 ARG A CG 1 O49373 UNP 141 R +ATOM 1158 C CD . ARG A 1 141 ? -6.302 -21.100 17.618 1.0 91.51 ? 141 ARG A CD 1 O49373 UNP 141 R +ATOM 1159 N NE . ARG A 1 141 ? -6.467 -22.420 16.977 1.0 91.51 ? 141 ARG A NE 1 O49373 UNP 141 R +ATOM 1160 N NH1 . ARG A 1 141 ? -4.473 -23.377 17.628 1.0 91.51 ? 141 ARG A NH1 1 O49373 UNP 141 R +ATOM 1161 N NH2 . ARG A 1 141 ? -5.724 -24.351 16.054 1.0 91.51 ? 141 ARG A NH2 1 O49373 UNP 141 R +ATOM 1162 C CZ . ARG A 1 141 ? -5.557 -23.379 16.903 1.0 91.51 ? 141 ARG A CZ 1 O49373 UNP 141 R +ATOM 1163 N N . PHE A 1 142 ? -4.453 -15.853 17.365 1.0 93.80 ? 142 PHE A N 1 O49373 UNP 142 F +ATOM 1164 C CA . PHE A 1 142 ? -4.058 -14.612 18.037 1.0 93.80 ? 142 PHE A CA 1 O49373 UNP 142 F +ATOM 1165 C C . PHE A 1 142 ? -4.551 -13.386 17.271 1.0 93.80 ? 142 PHE A C 1 O49373 UNP 142 F +ATOM 1166 C CB . PHE A 1 142 ? -2.529 -14.553 18.159 1.0 93.80 ? 142 PHE A CB 1 O49373 UNP 142 F +ATOM 1167 O O . PHE A 1 142 ? -5.151 -12.481 17.837 1.0 93.80 ? 142 PHE A O 1 O49373 UNP 142 F +ATOM 1168 C CG . PHE A 1 142 ? -1.993 -13.361 18.930 1.0 93.80 ? 142 PHE A CG 1 O49373 UNP 142 F +ATOM 1169 C CD1 . PHE A 1 142 ? -0.895 -12.640 18.423 1.0 93.80 ? 142 PHE A CD1 1 O49373 UNP 142 F +ATOM 1170 C CD2 . PHE A 1 142 ? -2.566 -12.977 20.160 1.0 93.80 ? 142 PHE A CD2 1 O49373 UNP 142 F +ATOM 1171 C CE1 . PHE A 1 142 ? -0.387 -11.538 19.133 1.0 93.80 ? 142 PHE A CE1 1 O49373 UNP 142 F +ATOM 1172 C CE2 . PHE A 1 142 ? -2.071 -11.861 20.855 1.0 93.80 ? 142 PHE A CE2 1 O49373 UNP 142 F +ATOM 1173 C CZ . PHE A 1 142 ? -0.984 -11.138 20.339 1.0 93.80 ? 142 PHE A CZ 1 O49373 UNP 142 F +ATOM 1174 N N . SER A 1 143 ? -4.379 -13.393 15.952 1.0 93.46 ? 143 SER A N 1 O49373 UNP 143 S +ATOM 1175 C CA . SER A 1 143 ? -4.786 -12.290 15.099 1.0 93.46 ? 143 SER A CA 1 O49373 UNP 143 S +ATOM 1176 C C . SER A 1 143 ? -6.290 -12.051 15.106 1.0 93.46 ? 143 SER A C 1 O49373 UNP 143 S +ATOM 1177 C CB . SER A 1 143 ? -4.247 -12.501 13.692 1.0 93.46 ? 143 SER A CB 1 O49373 UNP 143 S +ATOM 1178 O O . SER A 1 143 ? -6.742 -10.913 15.266 1.0 93.46 ? 143 SER A O 1 O49373 UNP 143 S +ATOM 1179 O OG . SER A 1 143 ? -4.292 -11.259 13.041 1.0 93.46 ? 143 SER A OG 1 O49373 UNP 143 S +ATOM 1180 N N . MET A 1 144 ? -7.068 -13.128 15.011 1.0 91.50 ? 144 MET A N 1 O49373 UNP 144 M +ATOM 1181 C CA . MET A 1 144 ? -8.523 -13.057 15.085 1.0 91.50 ? 144 MET A CA 1 O49373 UNP 144 M +ATOM 1182 C C . MET A 1 144 ? -9.009 -12.581 16.462 1.0 91.50 ? 144 MET A C 1 O49373 UNP 144 M +ATOM 1183 C CB . MET A 1 144 ? -9.097 -14.435 14.729 1.0 91.50 ? 144 MET A CB 1 O49373 UNP 144 M +ATOM 1184 O O . MET A 1 144 ? -9.922 -11.753 16.541 1.0 91.50 ? 144 MET A O 1 O49373 UNP 144 M +ATOM 1185 C CG . MET A 1 144 ? -10.627 -14.411 14.632 1.0 91.50 ? 144 MET A CG 1 O49373 UNP 144 M +ATOM 1186 S SD . MET A 1 144 ? -11.311 -13.240 13.425 1.0 91.50 ? 144 MET A SD 1 O49373 UNP 144 M +ATOM 1187 C CE . MET A 1 144 ? -10.782 -14.031 11.883 1.0 91.50 ? 144 MET A CE 1 O49373 UNP 144 M +ATOM 1188 N N . SER A 1 145 ? -8.399 -13.062 17.551 1.0 92.36 ? 145 SER A N 1 O49373 UNP 145 S +ATOM 1189 C CA . SER A 1 145 ? -8.792 -12.675 18.910 1.0 92.36 ? 145 SER A CA 1 O49373 UNP 145 S +ATOM 1190 C C . SER A 1 145 ? -8.447 -11.215 19.214 1.0 92.36 ? 145 SER A C 1 O49373 UNP 145 S +ATOM 1191 C CB . SER A 1 145 ? -8.189 -13.626 19.949 1.0 92.36 ? 145 SER A CB 1 O49373 UNP 145 S +ATOM 1192 O O . SER A 1 145 ? -9.302 -10.489 19.726 1.0 92.36 ? 145 SER A O 1 O49373 UNP 145 S +ATOM 1193 O OG . SER A 1 145 ? -6.797 -13.448 20.077 1.0 92.36 ? 145 SER A OG 1 O49373 UNP 145 S +ATOM 1194 N N . THR A 1 146 ? -7.256 -10.747 18.823 1.0 94.45 ? 146 THR A N 1 O49373 UNP 146 T +ATOM 1195 C CA . THR A 1 146 ? -6.857 -9.337 18.924 1.0 94.45 ? 146 THR A CA 1 O49373 UNP 146 T +ATOM 1196 C C . THR A 1 146 ? -7.832 -8.442 18.173 1.0 94.45 ? 146 THR A C 1 O49373 UNP 146 T +ATOM 1197 C CB . THR A 1 146 ? -5.445 -9.120 18.360 1.0 94.45 ? 146 THR A CB 1 O49373 UNP 146 T +ATOM 1198 O O . THR A 1 146 ? -8.320 -7.465 18.739 1.0 94.45 ? 146 THR A O 1 O49373 UNP 146 T +ATOM 1199 C CG2 . THR A 1 146 ? -5.002 -7.657 18.376 1.0 94.45 ? 146 THR A CG2 1 O49373 UNP 146 T +ATOM 1200 O OG1 . THR A 1 146 ? -4.499 -9.824 19.121 1.0 94.45 ? 146 THR A OG1 1 O49373 UNP 146 T +ATOM 1201 N N . MET A 1 147 ? -8.162 -8.788 16.927 1.0 93.01 ? 147 MET A N 1 O49373 UNP 147 M +ATOM 1202 C CA . MET A 1 147 ? -9.077 -7.992 16.115 1.0 93.01 ? 147 MET A CA 1 O49373 UNP 147 M +ATOM 1203 C C . MET A 1 147 ? -10.478 -7.931 16.725 1.0 93.01 ? 147 MET A C 1 O49373 UNP 147 M +ATOM 1204 C CB . MET A 1 147 ? -9.139 -8.588 14.715 1.0 93.01 ? 147 MET A CB 1 O49373 UNP 147 M +ATOM 1205 O O . MET A 1 147 ? -11.031 -6.846 16.876 1.0 93.01 ? 147 MET A O 1 O49373 UNP 147 M +ATOM 1206 C CG . MET A 1 147 ? -9.942 -7.689 13.774 1.0 93.01 ? 147 MET A CG 1 O49373 UNP 147 M +ATOM 1207 S SD . MET A 1 147 ? -10.429 -8.514 12.256 1.0 93.01 ? 147 MET A SD 1 O49373 UNP 147 M +ATOM 1208 C CE . MET A 1 147 ? -8.858 -9.241 11.760 1.0 93.01 ? 147 MET A CE 1 O49373 UNP 147 M +ATOM 1209 N N . THR A 1 148 ? -11.035 -9.079 17.117 1.0 92.30 ? 148 THR A N 1 O49373 UNP 148 T +ATOM 1210 C CA . THR A 1 148 ? -12.372 -9.154 17.725 1.0 92.30 ? 148 THR A CA 1 O49373 UNP 148 T +ATOM 1211 C C . THR A 1 148 ? -12.428 -8.356 19.028 1.0 92.30 ? 148 THR A C 1 O49373 UNP 148 T +ATOM 1212 C CB . THR A 1 148 ? -12.759 -10.616 17.997 1.0 92.30 ? 148 THR A CB 1 O49373 UNP 148 T +ATOM 1213 O O . THR A 1 148 ? -13.383 -7.619 19.271 1.0 92.30 ? 148 THR A O 1 O49373 UNP 148 T +ATOM 1214 C CG2 . THR A 1 148 ? -14.184 -10.751 18.532 1.0 92.30 ? 148 THR A CG2 1 O49373 UNP 148 T +ATOM 1215 O OG1 . THR A 1 148 ? -12.693 -11.370 16.808 1.0 92.30 ? 148 THR A OG1 1 O49373 UNP 148 T +ATOM 1216 N N . SER A 1 149 ? -11.380 -8.453 19.851 1.0 94.49 ? 149 SER A N 1 O49373 UNP 149 S +ATOM 1217 C CA . SER A 1 149 ? -11.254 -7.685 21.091 1.0 94.49 ? 149 SER A CA 1 O49373 UNP 149 S +ATOM 1218 C C . SER A 1 149 ? -11.201 -6.180 20.818 1.0 94.49 ? 149 SER A C 1 O49373 UNP 149 S +ATOM 1219 C CB . SER A 1 149 ? -10.006 -8.145 21.848 1.0 94.49 ? 149 SER A CB 1 O49373 UNP 149 S +ATOM 1220 O O . SER A 1 149 ? -11.986 -5.420 21.383 1.0 94.49 ? 149 SER A O 1 O49373 UNP 149 S +ATOM 1221 O OG . SER A 1 149 ? -9.927 -7.474 23.086 1.0 94.49 ? 149 SER A OG 1 O49373 UNP 149 S +ATOM 1222 N N . LYS A 1 150 ? -10.341 -5.736 19.892 1.0 95.48 ? 150 LYS A N 1 O49373 UNP 150 K +ATOM 1223 C CA . LYS A 1 150 ? -10.205 -4.315 19.540 1.0 95.48 ? 150 LYS A CA 1 O49373 UNP 150 K +ATOM 1224 C C . LYS A 1 150 ? -11.449 -3.732 18.889 1.0 95.48 ? 150 LYS A C 1 O49373 UNP 150 K +ATOM 1225 C CB . LYS A 1 150 ? -8.973 -4.122 18.636 1.0 95.48 ? 150 LYS A CB 1 O49373 UNP 150 K +ATOM 1226 O O . LYS A 1 150 ? -11.763 -2.563 19.104 1.0 95.48 ? 150 LYS A O 1 O49373 UNP 150 K +ATOM 1227 C CG . LYS A 1 150 ? -7.675 -4.073 19.452 1.0 95.48 ? 150 LYS A CG 1 O49373 UNP 150 K +ATOM 1228 C CD . LYS A 1 150 ? -7.598 -2.740 20.208 1.0 95.48 ? 150 LYS A CD 1 O49373 UNP 150 K +ATOM 1229 C CE . LYS A 1 150 ? -6.417 -2.677 21.159 1.0 95.48 ? 150 LYS A CE 1 O49373 UNP 150 K +ATOM 1230 N NZ . LYS A 1 150 ? -6.374 -1.352 21.812 1.0 95.48 ? 150 LYS A NZ 1 O49373 UNP 150 K +ATOM 1231 N N . LEU A 1 151 ? -12.175 -4.544 18.131 1.0 94.93 ? 151 LEU A N 1 O49373 UNP 151 L +ATOM 1232 C CA . LEU A 1 151 ? -13.459 -4.164 17.565 1.0 94.93 ? 151 LEU A CA 1 O49373 UNP 151 L +ATOM 1233 C C . LEU A 1 151 ? -14.472 -3.907 18.689 1.0 94.93 ? 151 LEU A C 1 O49373 UNP 151 L +ATOM 1234 C CB . LEU A 1 151 ? -13.907 -5.286 16.615 1.0 94.93 ? 151 LEU A CB 1 O49373 UNP 151 L +ATOM 1235 O O . LEU A 1 151 ? -15.019 -2.812 18.789 1.0 94.93 ? 151 LEU A O 1 O49373 UNP 151 L +ATOM 1236 C CG . LEU A 1 151 ? -15.123 -4.911 15.759 1.0 94.93 ? 151 LEU A CG 1 O49373 UNP 151 L +ATOM 1237 C CD1 . LEU A 1 151 ? -14.677 -4.028 14.593 1.0 94.93 ? 151 LEU A CD1 1 O49373 UNP 151 L +ATOM 1238 C CD2 . LEU A 1 151 ? -15.750 -6.191 15.214 1.0 94.93 ? 151 LEU A CD2 1 O49373 UNP 151 L +ATOM 1239 N N . LYS A 1 152 ? -14.649 -4.890 19.579 1.0 94.19 ? 152 LYS A N 1 O49373 UNP 152 K +ATOM 1240 C CA . LYS A 1 152 ? -15.649 -4.872 20.654 1.0 94.19 ? 152 LYS A CA 1 O49373 UNP 152 K +ATOM 1241 C C . LYS A 1 152 ? -15.372 -3.833 21.742 1.0 94.19 ? 152 LYS A C 1 O49373 UNP 152 K +ATOM 1242 C CB . LYS A 1 152 ? -15.722 -6.285 21.250 1.0 94.19 ? 152 LYS A CB 1 O49373 UNP 152 K +ATOM 1243 O O . LYS A 1 152 ? -16.311 -3.225 22.242 1.0 94.19 ? 152 LYS A O 1 O49373 UNP 152 K +ATOM 1244 C CG . LYS A 1 152 ? -16.794 -6.404 22.340 1.0 94.19 ? 152 LYS A CG 1 O49373 UNP 152 K +ATOM 1245 C CD . LYS A 1 152 ? -16.844 -7.830 22.889 1.0 94.19 ? 152 LYS A CD 1 O49373 UNP 152 K +ATOM 1246 C CE . LYS A 1 152 ? -17.879 -7.900 24.013 1.0 94.19 ? 152 LYS A CE 1 O49373 UNP 152 K +ATOM 1247 N NZ . LYS A 1 152 ? -17.794 -9.194 24.730 1.0 94.19 ? 152 LYS A NZ 1 O49373 UNP 152 K +ATOM 1248 N N . TYR A 1 153 ? -14.113 -3.664 22.141 1.0 95.09 ? 153 TYR A N 1 O49373 UNP 153 Y +ATOM 1249 C CA . TYR A 1 153 ? -13.726 -2.830 23.287 1.0 95.09 ? 153 TYR A CA 1 O49373 UNP 153 Y +ATOM 1250 C C . TYR A 1 153 ? -13.057 -1.506 22.895 1.0 95.09 ? 153 TYR A C 1 O49373 UNP 153 Y +ATOM 1251 C CB . TYR A 1 153 ? -12.840 -3.648 24.239 1.0 95.09 ? 153 TYR A CB 1 O49373 UNP 153 Y +ATOM 1252 O O . TYR A 1 153 ? -12.769 -0.701 23.774 1.0 95.09 ? 153 TYR A O 1 O49373 UNP 153 Y +ATOM 1253 C CG . TYR A 1 153 ? -13.500 -4.900 24.791 1.0 95.09 ? 153 TYR A CG 1 O49373 UNP 153 Y +ATOM 1254 C CD1 . TYR A 1 153 ? -14.574 -4.785 25.693 1.0 95.09 ? 153 TYR A CD1 1 O49373 UNP 153 Y +ATOM 1255 C CD2 . TYR A 1 153 ? -13.034 -6.175 24.418 1.0 95.09 ? 153 TYR A CD2 1 O49373 UNP 153 Y +ATOM 1256 C CE1 . TYR A 1 153 ? -15.177 -5.939 26.228 1.0 95.09 ? 153 TYR A CE1 1 O49373 UNP 153 Y +ATOM 1257 C CE2 . TYR A 1 153 ? -13.649 -7.335 24.929 1.0 95.09 ? 153 TYR A CE2 1 O49373 UNP 153 Y +ATOM 1258 O OH . TYR A 1 153 ? -15.321 -8.326 26.350 1.0 95.09 ? 153 TYR A OH 1 O49373 UNP 153 Y +ATOM 1259 C CZ . TYR A 1 153 ? -14.718 -7.216 25.841 1.0 95.09 ? 153 TYR A CZ 1 O49373 UNP 153 Y +ATOM 1260 N N . GLY A 1 154 ? -12.808 -1.273 21.604 1.0 95.57 ? 154 GLY A N 1 O49373 UNP 154 G +ATOM 1261 C CA . GLY A 1 154 ? -12.219 -0.033 21.093 1.0 95.57 ? 154 GLY A CA 1 O49373 UNP 154 G +ATOM 1262 C C . GLY A 1 154 ? -13.124 0.657 20.077 1.0 95.57 ? 154 GLY A C 1 O49373 UNP 154 G +ATOM 1263 O O . GLY A 1 154 ? -13.695 1.705 20.366 1.0 95.57 ? 154 GLY A O 1 O49373 UNP 154 G +ATOM 1264 N N . LEU A 1 155 ? -13.284 0.054 18.893 1.0 96.42 ? 155 LEU A N 1 O49373 UNP 155 L +ATOM 1265 C CA . LEU A 1 155 ? -13.996 0.692 17.779 1.0 96.42 ? 155 LEU A CA 1 O49373 UNP 155 L +ATOM 1266 C C . LEU A 1 155 ? -15.488 0.906 18.068 1.0 96.42 ? 155 LEU A C 1 O49373 UNP 155 L +ATOM 1267 C CB . LEU A 1 155 ? -13.777 -0.120 16.487 1.0 96.42 ? 155 LEU A CB 1 O49373 UNP 155 L +ATOM 1268 O O . LEU A 1 155 ? -15.986 2.012 17.887 1.0 96.42 ? 155 LEU A O 1 O49373 UNP 155 L +ATOM 1269 C CG . LEU A 1 155 ? -14.382 0.536 15.228 1.0 96.42 ? 155 LEU A CG 1 O49373 UNP 155 L +ATOM 1270 C CD1 . LEU A 1 155 ? -13.761 1.901 14.933 1.0 96.42 ? 155 LEU A CD1 1 O49373 UNP 155 L +ATOM 1271 C CD2 . LEU A 1 155 ? -14.155 -0.352 14.005 1.0 96.42 ? 155 LEU A CD2 1 O49373 UNP 155 L +ATOM 1272 N N . VAL A 1 156 ? -16.192 -0.127 18.536 1.0 95.91 ? 156 VAL A N 1 O49373 UNP 156 V +ATOM 1273 C CA . VAL A 1 156 ? -17.641 -0.063 18.796 1.0 95.91 ? 156 VAL A CA 1 O49373 UNP 156 V +ATOM 1274 C C . VAL A 1 156 ? -17.996 0.966 19.883 1.0 95.91 ? 156 VAL A C 1 O49373 UNP 156 V +ATOM 1275 C CB . VAL A 1 156 ? -18.208 -1.471 19.079 1.0 95.91 ? 156 VAL A CB 1 O49373 UNP 156 V +ATOM 1276 O O . VAL A 1 156 ? -18.863 1.802 19.628 1.0 95.91 ? 156 VAL A O 1 O49373 UNP 156 V +ATOM 1277 C CG1 . VAL A 1 156 ? -19.621 -1.447 19.673 1.0 95.91 ? 156 VAL A CG1 1 O49373 UNP 156 V +ATOM 1278 C CG2 . VAL A 1 156 ? -18.233 -2.295 17.789 1.0 95.91 ? 156 VAL A CG2 1 O49373 UNP 156 V +ATOM 1279 N N . PRO A 1 157 ? -17.342 0.992 21.067 1.0 96.41 ? 157 PRO A N 1 O49373 UNP 157 P +ATOM 1280 C CA . PRO A 1 157 ? -17.596 2.026 22.071 1.0 96.41 ? 157 PRO A CA 1 O49373 UNP 157 P +ATOM 1281 C C . PRO A 1 157 ? -17.352 3.444 21.552 1.0 96.41 ? 157 PRO A C 1 O49373 UNP 157 P +ATOM 1282 C CB . PRO A 1 157 ? -16.671 1.703 23.248 1.0 96.41 ? 157 PRO A CB 1 O49373 UNP 157 P +ATOM 1283 O O . PRO A 1 157 ? -18.150 4.335 21.831 1.0 96.41 ? 157 PRO A O 1 O49373 UNP 157 P +ATOM 1284 C CG . PRO A 1 157 ? -16.482 0.195 23.135 1.0 96.41 ? 157 PRO A CG 1 O49373 UNP 157 P +ATOM 1285 C CD . PRO A 1 157 ? -16.460 -0.022 21.626 1.0 96.41 ? 157 PRO A CD 1 O49373 UNP 157 P +ATOM 1286 N N . LEU A 1 158 ? -16.297 3.644 20.754 1.0 96.64 ? 158 LEU A N 1 O49373 UNP 158 L +ATOM 1287 C CA . LEU A 1 158 ? -16.006 4.941 20.151 1.0 96.64 ? 158 LEU A CA 1 O49373 UNP 158 L +ATOM 1288 C C . LEU A 1 158 ? -17.111 5.366 19.177 1.0 96.64 ? 158 LEU A C 1 O49373 UNP 158 L +ATOM 1289 C CB . LEU A 1 158 ? -14.612 4.878 19.507 1.0 96.64 ? 158 LEU A CB 1 O49373 UNP 158 L +ATOM 1290 O O . LEU A 1 158 ? -17.643 6.464 19.300 1.0 96.64 ? 158 LEU A O 1 O49373 UNP 158 L +ATOM 1291 C CG . LEU A 1 158 ? -14.175 6.225 18.902 1.0 96.64 ? 158 LEU A CG 1 O49373 UNP 158 L +ATOM 1292 C CD1 . LEU A 1 158 ? -12.688 6.445 19.145 1.0 96.64 ? 158 LEU A CD1 1 O49373 UNP 158 L +ATOM 1293 C CD2 . LEU A 1 158 ? -14.418 6.283 17.391 1.0 96.64 ? 158 LEU A CD2 1 O49373 UNP 158 L +ATOM 1294 N N . LEU A 1 159 ? -17.511 4.494 18.248 1.0 97.03 ? 159 LEU A N 1 O49373 UNP 159 L +ATOM 1295 C CA . LEU A 1 159 ? -18.589 4.806 17.305 1.0 97.03 ? 159 LEU A CA 1 O49373 UNP 159 L +ATOM 1296 C C . LEU A 1 159 ? -19.925 5.054 18.017 1.0 97.03 ? 159 LEU A C 1 O49373 UNP 159 L +ATOM 1297 C CB . LEU A 1 159 ? -18.734 3.672 16.277 1.0 97.03 ? 159 LEU A CB 1 O49373 UNP 159 L +ATOM 1298 O O . LEU A 1 159 ? -20.671 5.938 17.608 1.0 97.03 ? 159 LEU A O 1 O49373 UNP 159 L +ATOM 1299 C CG . LEU A 1 159 ? -17.552 3.513 15.305 1.0 97.03 ? 159 LEU A CG 1 O49373 UNP 159 L +ATOM 1300 C CD1 . LEU A 1 159 ? -17.810 2.305 14.405 1.0 97.03 ? 159 LEU A CD1 1 O49373 UNP 159 L +ATOM 1301 C CD2 . LEU A 1 159 ? -17.342 4.739 14.415 1.0 97.03 ? 159 LEU A CD2 1 O49373 UNP 159 L +ATOM 1302 N N . ASN A 1 160 ? -20.216 4.320 19.095 1.0 96.42 ? 160 ASN A N 1 O49373 UNP 160 N +ATOM 1303 C CA . ASN A 1 160 ? -21.408 4.544 19.914 1.0 96.42 ? 160 ASN A CA 1 O49373 UNP 160 N +ATOM 1304 C C . ASN A 1 160 ? -21.412 5.929 20.558 1.0 96.42 ? 160 ASN A C 1 O49373 UNP 160 N +ATOM 1305 C CB . ASN A 1 160 ? -21.509 3.456 20.994 1.0 96.42 ? 160 ASN A CB 1 O49373 UNP 160 N +ATOM 1306 O O . ASN A 1 160 ? -22.427 6.612 20.484 1.0 96.42 ? 160 ASN A O 1 O49373 UNP 160 N +ATOM 1307 C CG . ASN A 1 160 ? -21.889 2.103 20.439 1.0 96.42 ? 160 ASN A CG 1 O49373 UNP 160 N +ATOM 1308 N ND2 . ASN A 1 160 ? -21.772 1.062 21.226 1.0 96.42 ? 160 ASN A ND2 1 O49373 UNP 160 N +ATOM 1309 O OD1 . ASN A 1 160 ? -22.362 1.956 19.325 1.0 96.42 ? 160 ASN A OD1 1 O49373 UNP 160 N +ATOM 1310 N N . HIS A 1 161 ? -20.283 6.346 21.133 1.0 96.33 ? 161 HIS A N 1 O49373 UNP 161 H +ATOM 1311 C CA . HIS A 1 161 ? -20.147 7.662 21.746 1.0 96.33 ? 161 HIS A CA 1 O49373 UNP 161 H +ATOM 1312 C C . HIS A 1 161 ? -20.406 8.789 20.733 1.0 96.33 ? 161 HIS A C 1 O49373 UNP 161 H +ATOM 1313 C CB . HIS A 1 161 ? -18.750 7.759 22.371 1.0 96.33 ? 161 HIS A CB 1 O49373 UNP 161 H +ATOM 1314 O O . HIS A 1 161 ? -21.269 9.634 20.955 1.0 96.33 ? 161 HIS A O 1 O49373 UNP 161 H +ATOM 1315 C CG . HIS A 1 161 ? -18.463 9.124 22.928 1.0 96.33 ? 161 HIS A CG 1 O49373 UNP 161 H +ATOM 1316 C CD2 . HIS A 1 161 ? -17.658 10.077 22.365 1.0 96.33 ? 161 HIS A CD2 1 O49373 UNP 161 H +ATOM 1317 N ND1 . HIS A 1 161 ? -19.045 9.687 24.040 1.0 96.33 ? 161 HIS A ND1 1 O49373 UNP 161 H +ATOM 1318 C CE1 . HIS A 1 161 ? -18.592 10.946 24.149 1.0 96.33 ? 161 HIS A CE1 1 O49373 UNP 161 H +ATOM 1319 N NE2 . HIS A 1 161 ? -17.724 11.219 23.164 1.0 96.33 ? 161 HIS A NE2 1 O49373 UNP 161 H +ATOM 1320 N N . PHE A 1 162 ? -19.742 8.761 19.572 1.0 95.78 ? 162 PHE A N 1 O49373 UNP 162 F +ATOM 1321 C CA . PHE A 1 162 ? -19.949 9.780 18.533 1.0 95.78 ? 162 PHE A CA 1 O49373 UNP 162 F +ATOM 1322 C C . PHE A 1 162 ? -21.356 9.728 17.911 1.0 95.78 ? 162 PHE A C 1 O49373 UNP 162 F +ATOM 1323 C CB . PHE A 1 162 ? -18.854 9.659 17.464 1.0 95.78 ? 162 PHE A CB 1 O49373 UNP 162 F +ATOM 1324 O O . PHE A 1 162 ? -21.874 10.759 17.485 1.0 95.78 ? 162 PHE A O 1 O49373 UNP 162 F +ATOM 1325 C CG . PHE A 1 162 ? -17.541 10.302 17.875 1.0 95.78 ? 162 PHE A CG 1 O49373 UNP 162 F +ATOM 1326 C CD1 . PHE A 1 162 ? -17.307 11.657 17.583 1.0 95.78 ? 162 PHE A CD1 1 O49373 UNP 162 F +ATOM 1327 C CD2 . PHE A 1 162 ? -16.562 9.571 18.574 1.0 95.78 ? 162 PHE A CD2 1 O49373 UNP 162 F +ATOM 1328 C CE1 . PHE A 1 162 ? -16.119 12.279 18.004 1.0 95.78 ? 162 PHE A CE1 1 O49373 UNP 162 F +ATOM 1329 C CE2 . PHE A 1 162 ? -15.374 10.190 19.002 1.0 95.78 ? 162 PHE A CE2 1 O49373 UNP 162 F +ATOM 1330 C CZ . PHE A 1 162 ? -15.156 11.549 18.723 1.0 95.78 ? 162 PHE A CZ 1 O49373 UNP 162 F +ATOM 1331 N N . ALA A 1 163 ? -21.995 8.553 17.886 1.0 95.54 ? 163 ALA A N 1 O49373 UNP 163 A +ATOM 1332 C CA . ALA A 1 163 ? -23.377 8.414 17.430 1.0 95.54 ? 163 ALA A CA 1 O49373 UNP 163 A +ATOM 1333 C C . ALA A 1 163 ? -24.400 9.006 18.408 1.0 95.54 ? 163 ALA A C 1 O49373 UNP 163 A +ATOM 1334 C CB . ALA A 1 163 ? -23.674 6.934 17.150 1.0 95.54 ? 163 ALA A CB 1 O49373 UNP 163 A +ATOM 1335 O O . ALA A 1 163 ? -25.445 9.480 17.971 1.0 95.54 ? 163 ALA A O 1 O49373 UNP 163 A +ATOM 1336 N N . GLU A 1 164 ? -24.114 8.965 19.709 1.0 95.53 ? 164 GLU A N 1 O49373 UNP 164 E +ATOM 1337 C CA . GLU A 1 164 ? -24.966 9.526 20.764 1.0 95.53 ? 164 GLU A CA 1 O49373 UNP 164 E +ATOM 1338 C C . GLU A 1 164 ? -24.817 11.050 20.857 1.0 95.53 ? 164 GLU A C 1 O49373 UNP 164 E +ATOM 1339 C CB . GLU A 1 164 ? -24.642 8.818 22.095 1.0 95.53 ? 164 GLU A CB 1 O49373 UNP 164 E +ATOM 1340 O O . GLU A 1 164 ? -25.818 11.755 20.953 1.0 95.53 ? 164 GLU A O 1 O49373 UNP 164 E +ATOM 1341 C CG . GLU A 1 164 ? -25.253 7.403 22.107 1.0 95.53 ? 164 GLU A CG 1 O49373 UNP 164 E +ATOM 1342 C CD . GLU A 1 164 ? -24.671 6.433 23.149 1.0 95.53 ? 164 GLU A CD 1 O49373 UNP 164 E +ATOM 1343 O OE1 . GLU A 1 164 ? -24.873 5.202 22.927 1.0 95.53 ? 164 GLU A OE1 1 O49373 UNP 164 E +ATOM 1344 O OE2 . GLU A 1 164 ? -24.048 6.873 24.138 1.0 95.53 ? 164 GLU A OE2 1 O49373 UNP 164 E +ATOM 1345 N N . GLU A 1 165 ? -23.592 11.564 20.732 1.0 94.22 ? 165 GLU A N 1 O49373 UNP 165 E +ATOM 1346 C CA . GLU A 1 165 ? -23.314 13.008 20.726 1.0 94.22 ? 165 GLU A CA 1 O49373 UNP 165 E +ATOM 1347 C C . GLU A 1 165 ? -23.737 13.699 19.416 1.0 94.22 ? 165 GLU A C 1 O49373 UNP 165 E +ATOM 1348 C CB . GLU A 1 165 ? -21.809 13.217 20.964 1.0 94.22 ? 165 GLU A CB 1 O49373 UNP 165 E +ATOM 1349 O O . GLU A 1 165 ? -23.905 14.918 19.370 1.0 94.22 ? 165 GLU A O 1 O49373 UNP 165 E +ATOM 1350 C CG . GLU A 1 165 ? -21.337 12.816 22.371 1.0 94.22 ? 165 GLU A CG 1 O49373 UNP 165 E +ATOM 1351 C CD . GLU A 1 165 ? -21.954 13.673 23.488 1.0 94.22 ? 165 GLU A CD 1 O49373 UNP 165 E +ATOM 1352 O OE1 . GLU A 1 165 ? -22.241 13.102 24.565 1.0 94.22 ? 165 GLU A OE1 1 O49373 UNP 165 E +ATOM 1353 O OE2 . GLU A 1 165 ? -22.098 14.899 23.274 1.0 94.22 ? 165 GLU A OE2 1 O49373 UNP 165 E +ATOM 1354 N N . GLY A 1 166 ? -23.880 12.946 18.318 1.0 91.54 ? 166 GLY A N 1 O49373 UNP 166 G +ATOM 1355 C CA . GLY A 1 166 ? -24.196 13.500 16.997 1.0 91.54 ? 166 GLY A CA 1 O49373 UNP 166 G +ATOM 1356 C C . GLY A 1 166 ? -23.088 14.398 16.428 1.0 91.54 ? 166 GLY A C 1 O49373 UNP 166 G +ATOM 1357 O O . GLY A 1 166 ? -23.357 15.266 15.593 1.0 91.54 ? 166 GLY A O 1 O49373 UNP 166 G +ATOM 1358 N N . THR A 1 167 ? -21.846 14.213 16.882 1.0 93.44 ? 167 THR A N 1 O49373 UNP 167 T +ATOM 1359 C CA . THR A 1 167 ? -20.683 15.020 16.493 1.0 93.44 ? 167 THR A CA 1 O49373 UNP 167 T +ATOM 1360 C C . THR A 1 167 ? -19.945 14.430 15.289 1.0 93.44 ? 167 THR A C 1 O49373 UNP 167 T +ATOM 1361 C CB . THR A 1 167 ? -19.730 15.243 17.679 1.0 93.44 ? 167 THR A CB 1 O49373 UNP 167 T +ATOM 1362 O O . THR A 1 167 ? -20.143 13.281 14.888 1.0 93.44 ? 167 THR A O 1 O49373 UNP 167 T +ATOM 1363 C CG2 . THR A 1 167 ? -20.344 16.143 18.748 1.0 93.44 ? 167 THR A CG2 1 O49373 UNP 167 T +ATOM 1364 O OG1 . THR A 1 167 ? -19.390 14.026 18.287 1.0 93.44 ? 167 THR A OG1 1 O49373 UNP 167 T +ATOM 1365 N N . THR A 1 168 ? -19.098 15.247 14.658 1.0 94.36 ? 168 THR A N 1 O49373 UNP 168 T +ATOM 1366 C CA . THR A 1 168 ? -18.289 14.818 13.512 1.0 94.36 ? 168 THR A CA 1 O49373 UNP 168 T +ATOM 1367 C C . THR A 1 168 ? -17.069 14.014 13.950 1.0 94.36 ? 168 THR A C 1 O49373 UNP 168 T +ATOM 1368 C CB . THR A 1 168 ? -17.820 16.001 12.661 1.0 94.36 ? 168 THR A CB 1 O49373 UNP 168 T +ATOM 1369 O O . THR A 1 168 ? -16.397 14.385 14.911 1.0 94.36 ? 168 THR A O 1 O49373 UNP 168 T +ATOM 1370 C CG2 . THR A 1 168 ? -18.987 16.723 11.987 1.0 94.36 ? 168 THR A CG2 1 O49373 UNP 168 T +ATOM 1371 O OG1 . THR A 1 168 ? -17.140 16.935 13.469 1.0 94.36 ? 168 THR A OG1 1 O49373 UNP 168 T +ATOM 1372 N N . LEU A 1 169 ? -16.734 12.977 13.186 1.0 95.04 ? 169 LEU A N 1 O49373 UNP 169 L +ATOM 1373 C CA . LEU A 1 169 ? -15.612 12.074 13.433 1.0 95.04 ? 169 LEU A CA 1 O49373 UNP 169 L +ATOM 1374 C C . LEU A 1 169 ? -14.750 11.933 12.171 1.0 95.04 ? 169 LEU A C 1 O49373 UNP 169 L +ATOM 1375 C CB . LEU A 1 169 ? -16.215 10.730 13.874 1.0 95.04 ? 169 LEU A CB 1 O49373 UNP 169 L +ATOM 1376 O O . LEU A 1 169 ? -15.283 11.710 11.085 1.0 95.04 ? 169 LEU A O 1 O49373 UNP 169 L +ATOM 1377 C CG . LEU A 1 169 ? -15.212 9.613 14.205 1.0 95.04 ? 169 LEU A CG 1 O49373 UNP 169 L +ATOM 1378 C CD1 . LEU A 1 169 ? -14.340 9.978 15.406 1.0 95.04 ? 169 LEU A CD1 1 O49373 UNP 169 L +ATOM 1379 C CD2 . LEU A 1 169 ? -16.014 8.347 14.518 1.0 95.04 ? 169 LEU A CD2 1 O49373 UNP 169 L +ATOM 1380 N N . ASP A 1 170 ? -13.422 11.998 12.306 1.0 95.76 ? 170 ASP A N 1 O49373 UNP 170 D +ATOM 1381 C CA . ASP A 1 170 ? -12.510 11.648 11.209 1.0 95.76 ? 170 ASP A CA 1 O49373 UNP 170 D +ATOM 1382 C C . ASP A 1 170 ? -12.320 10.129 11.137 1.0 95.76 ? 170 ASP A C 1 O49373 UNP 170 D +ATOM 1383 C CB . ASP A 1 170 ? -11.158 12.363 11.331 1.0 95.76 ? 170 ASP A CB 1 O49373 UNP 170 D +ATOM 1384 O O . ASP A 1 170 ? -11.516 9.542 11.870 1.0 95.76 ? 170 ASP A O 1 O49373 UNP 170 D +ATOM 1385 C CG . ASP A 1 170 ? -10.229 12.062 10.140 1.0 95.76 ? 170 ASP A CG 1 O49373 UNP 170 D +ATOM 1386 O OD1 . ASP A 1 170 ? -10.642 11.374 9.174 1.0 95.76 ? 170 ASP A OD1 1 O49373 UNP 170 D +ATOM 1387 O OD2 . ASP A 1 170 ? -9.064 12.505 10.189 1.0 95.76 ? 170 ASP A OD2 1 O49373 UNP 170 D +ATOM 1388 N N . LEU A 1 171 ? -13.037 9.488 10.217 1.0 97.09 ? 171 LEU A N 1 O49373 UNP 171 L +ATOM 1389 C CA . LEU A 1 171 ? -13.012 8.040 10.056 1.0 97.09 ? 171 LEU A CA 1 O49373 UNP 171 L +ATOM 1390 C C . LEU A 1 171 ? -11.630 7.521 9.614 1.0 97.09 ? 171 LEU A C 1 O49373 UNP 171 L +ATOM 1391 C CB . LEU A 1 171 ? -14.141 7.648 9.087 1.0 97.09 ? 171 LEU A CB 1 O49373 UNP 171 L +ATOM 1392 O O . LEU A 1 171 ? -11.247 6.411 9.986 1.0 97.09 ? 171 LEU A O 1 O49373 UNP 171 L +ATOM 1393 C CG . LEU A 1 171 ? -14.436 6.141 9.069 1.0 97.09 ? 171 LEU A CG 1 O49373 UNP 171 L +ATOM 1394 C CD1 . LEU A 1 171 ? -14.974 5.618 10.403 1.0 97.09 ? 171 LEU A CD1 1 O49373 UNP 171 L +ATOM 1395 C CD2 . LEU A 1 171 ? -15.445 5.810 7.967 1.0 97.09 ? 171 LEU A CD2 1 O49373 UNP 171 L +ATOM 1396 N N . GLN A 1 172 ? -10.837 8.327 8.895 1.0 96.57 ? 172 GLN A N 1 O49373 UNP 172 Q +ATOM 1397 C CA . GLN A 1 172 ? -9.464 7.948 8.546 1.0 96.57 ? 172 GLN A CA 1 O49373 UNP 172 Q +ATOM 1398 C C . GLN A 1 172 ? -8.581 7.856 9.794 1.0 96.57 ? 172 GLN A C 1 O49373 UNP 172 Q +ATOM 1399 C CB . GLN A 1 172 ? -8.879 8.932 7.519 1.0 96.57 ? 172 GLN A CB 1 O49373 UNP 172 Q +ATOM 1400 O O . GLN A 1 172 ? -7.820 6.897 9.941 1.0 96.57 ? 172 GLN A O 1 O49373 UNP 172 Q +ATOM 1401 C CG . GLN A 1 172 ? -7.425 8.579 7.163 1.0 96.57 ? 172 GLN A CG 1 O49373 UNP 172 Q +ATOM 1402 C CD . GLN A 1 172 ? -6.881 9.452 6.046 1.0 96.57 ? 172 GLN A CD 1 O49373 UNP 172 Q +ATOM 1403 N NE2 . GLN A 1 172 ? -6.173 10.522 6.341 1.0 96.57 ? 172 GLN A NE2 1 O49373 UNP 172 Q +ATOM 1404 O OE1 . GLN A 1 172 ? -7.078 9.177 4.876 1.0 96.57 ? 172 GLN A OE1 1 O49373 UNP 172 Q +ATOM 1405 N N . SER A 1 173 ? -8.697 8.823 10.709 1.0 95.20 ? 173 SER A N 1 O49373 UNP 173 S +ATOM 1406 C CA . SER A 1 173 ? -7.968 8.817 11.984 1.0 95.20 ? 173 SER A CA 1 O49373 UNP 173 S +ATOM 1407 C C . SER A 1 173 ? -8.359 7.612 12.844 1.0 95.20 ? 173 SER A C 1 O49373 UNP 173 S +ATOM 1408 C CB . SER A 1 173 ? -8.234 10.126 12.732 1.0 95.20 ? 173 SER A CB 1 O49373 UNP 173 S +ATOM 1409 O O . SER A 1 173 ? -7.494 6.921 13.386 1.0 95.20 ? 173 SER A O 1 O49373 UNP 173 S +ATOM 1410 O OG . SER A 1 173 ? -7.406 10.243 13.876 1.0 95.20 ? 173 SER A OG 1 O49373 UNP 173 S +ATOM 1411 N N . VAL A 1 174 ? -9.656 7.292 12.895 1.0 96.81 ? 174 VAL A N 1 O49373 UNP 174 V +ATOM 1412 C CA . VAL A 1 174 ? -10.184 6.115 13.603 1.0 96.81 ? 174 VAL A CA 1 O49373 UNP 174 V +ATOM 1413 C C . VAL A 1 174 ? -9.597 4.822 13.049 1.0 96.81 ? 174 VAL A C 1 O49373 UNP 174 V +ATOM 1414 C CB . VAL A 1 174 ? -11.717 6.088 13.516 1.0 96.81 ? 174 VAL A CB 1 O49373 UNP 174 V +ATOM 1415 O O . VAL A 1 174 ? -9.064 4.016 13.814 1.0 96.81 ? 174 VAL A O 1 O49373 UNP 174 V +ATOM 1416 C CG1 . VAL A 1 174 ? -12.333 4.797 14.066 1.0 96.81 ? 174 VAL A CG1 1 O49373 UNP 174 V +ATOM 1417 C CG2 . VAL A 1 174 ? -12.297 7.253 14.310 1.0 96.81 ? 174 VAL A CG2 1 O49373 UNP 174 V +ATOM 1418 N N . PHE A 1 175 ? -9.625 4.624 11.727 1.0 97.52 ? 175 PHE A N 1 O49373 UNP 175 F +ATOM 1419 C CA . PHE A 1 175 ? -9.019 3.439 11.120 1.0 97.52 ? 175 PHE A CA 1 O49373 UNP 175 F +ATOM 1420 C C . PHE A 1 175 ? -7.505 3.398 11.318 1.0 97.52 ? 175 PHE A C 1 O49373 UNP 175 F +ATOM 1421 C CB . PHE A 1 175 ? -9.367 3.354 9.631 1.0 97.52 ? 175 PHE A CB 1 O49373 UNP 175 F +ATOM 1422 O O . PHE A 1 175 ? -6.960 2.325 11.577 1.0 97.52 ? 175 PHE A O 1 O49373 UNP 175 F +ATOM 1423 C CG . PHE A 1 175 ? -10.829 3.137 9.302 1.0 97.52 ? 175 PHE A CG 1 O49373 UNP 175 F +ATOM 1424 C CD1 . PHE A 1 175 ? -11.632 2.296 10.098 1.0 97.52 ? 175 PHE A CD1 1 O49373 UNP 175 F +ATOM 1425 C CD2 . PHE A 1 175 ? -11.379 3.741 8.157 1.0 97.52 ? 175 PHE A CD2 1 O49373 UNP 175 F +ATOM 1426 C CE1 . PHE A 1 175 ? -12.979 2.093 9.771 1.0 97.52 ? 175 PHE A CE1 1 O49373 UNP 175 F +ATOM 1427 C CE2 . PHE A 1 175 ? -12.720 3.508 7.811 1.0 97.52 ? 175 PHE A CE2 1 O49373 UNP 175 F +ATOM 1428 C CZ . PHE A 1 175 ? -13.527 2.704 8.634 1.0 97.52 ? 175 PHE A CZ 1 O49373 UNP 175 F +ATOM 1429 N N . GLY A 1 176 ? -6.828 4.546 11.257 1.0 95.47 ? 176 GLY A N 1 O49373 UNP 176 G +ATOM 1430 C CA . GLY A 1 176 ? -5.400 4.661 11.543 1.0 95.47 ? 176 GLY A CA 1 O49373 UNP 176 G +ATOM 1431 C C . GLY A 1 176 ? -5.046 4.163 12.944 1.0 95.47 ? 176 GLY A C 1 O49373 UNP 176 G +ATOM 1432 O O . GLY A 1 176 ? -4.108 3.388 13.092 1.0 95.47 ? 176 GLY A O 1 O49373 UNP 176 G +ATOM 1433 N N . ARG A 1 177 ? -5.825 4.540 13.960 1.0 95.45 ? 177 ARG A N 1 O49373 UNP 177 R +ATOM 1434 C CA . ARG A 1 177 ? -5.628 4.111 15.357 1.0 95.45 ? 177 ARG A CA 1 O49373 UNP 177 R +ATOM 1435 C C . ARG A 1 177 ? -6.017 2.658 15.585 1.0 95.45 ? 177 ARG A C 1 O49373 UNP 177 R +ATOM 1436 C CB . ARG A 1 177 ? -6.452 5.016 16.270 1.0 95.45 ? 177 ARG A CB 1 O49373 UNP 177 R +ATOM 1437 O O . ARG A 1 177 ? -5.264 1.898 16.182 1.0 95.45 ? 177 ARG A O 1 O49373 UNP 177 R +ATOM 1438 C CG . ARG A 1 177 ? -5.894 6.436 16.305 1.0 95.45 ? 177 ARG A CG 1 O49373 UNP 177 R +ATOM 1439 C CD . ARG A 1 177 ? -6.948 7.360 16.910 1.0 95.45 ? 177 ARG A CD 1 O49373 UNP 177 R +ATOM 1440 N NE . ARG A 1 177 ? -6.508 8.755 16.844 1.0 95.45 ? 177 ARG A NE 1 O49373 UNP 177 R +ATOM 1441 N NH1 . ARG A 1 177 ? -5.043 8.667 18.613 1.0 95.45 ? 177 ARG A NH1 1 O49373 UNP 177 R +ATOM 1442 N NH2 . ARG A 1 177 ? -5.308 10.557 17.476 1.0 95.45 ? 177 ARG A NH2 1 O49373 UNP 177 R +ATOM 1443 C CZ . ARG A 1 177 ? -5.622 9.310 17.640 1.0 95.45 ? 177 ARG A CZ 1 O49373 UNP 177 R +ATOM 1444 N N . PHE A 1 178 ? -7.163 2.237 15.053 1.0 96.92 ? 178 PHE A N 1 O49373 UNP 178 F +ATOM 1445 C CA . PHE A 1 178 ? -7.629 0.855 15.160 1.0 96.92 ? 178 PHE A CA 1 O49373 UNP 178 F +ATOM 1446 C C . PHE A 1 178 ? -6.625 -0.142 14.562 1.0 96.92 ? 178 PHE A C 1 O49373 UNP 178 F +ATOM 1447 C CB . PHE A 1 178 ? -8.983 0.737 14.449 1.0 96.92 ? 178 PHE A CB 1 O49373 UNP 178 F +ATOM 1448 O O . PHE A 1 178 ? -6.287 -1.160 15.175 1.0 96.92 ? 178 PHE A O 1 O49373 UNP 178 F +ATOM 1449 C CG . PHE A 1 178 ? -9.489 -0.688 14.396 1.0 96.92 ? 178 PHE A CG 1 O49373 UNP 178 F +ATOM 1450 C CD1 . PHE A 1 178 ? -9.296 -1.469 13.240 1.0 96.92 ? 178 PHE A CD1 1 O49373 UNP 178 F +ATOM 1451 C CD2 . PHE A 1 178 ? -10.091 -1.258 15.531 1.0 96.92 ? 178 PHE A CD2 1 O49373 UNP 178 F +ATOM 1452 C CE1 . PHE A 1 178 ? -9.697 -2.815 13.222 1.0 96.92 ? 178 PHE A CE1 1 O49373 UNP 178 F +ATOM 1453 C CE2 . PHE A 1 178 ? -10.513 -2.596 15.499 1.0 96.92 ? 178 PHE A CE2 1 O49373 UNP 178 F +ATOM 1454 C CZ . PHE A 1 178 ? -10.315 -3.379 14.350 1.0 96.92 ? 178 PHE A CZ 1 O49373 UNP 178 F +ATOM 1455 N N . THR A 1 179 ? -6.137 0.154 13.356 1.0 96.65 ? 179 THR A N 1 O49373 UNP 179 T +ATOM 1456 C CA . THR A 1 179 ? -5.164 -0.700 12.664 1.0 96.65 ? 179 THR A CA 1 O49373 UNP 179 T +ATOM 1457 C C . THR A 1 179 ? -3.788 -0.622 13.312 1.0 96.65 ? 179 THR A C 1 O49373 UNP 179 T +ATOM 1458 C CB . THR A 1 179 ? -5.057 -0.370 11.173 1.0 96.65 ? 179 THR A CB 1 O49373 UNP 179 T +ATOM 1459 O O . THR A 1 179 ? -3.132 -1.659 13.396 1.0 96.65 ? 179 THR A O 1 O49373 UNP 179 T +ATOM 1460 C CG2 . THR A 1 179 ? -6.359 -0.643 10.421 1.0 96.65 ? 179 THR A CG2 1 O49373 UNP 179 T +ATOM 1461 O OG1 . THR A 1 179 ? -4.712 0.979 11.001 1.0 96.65 ? 179 THR A OG1 1 O49373 UNP 179 T +ATOM 1462 N N . PHE A 1 180 ? -3.385 0.546 13.833 1.0 95.59 ? 180 PHE A N 1 O49373 UNP 180 F +ATOM 1463 C CA . PHE A 1 180 ? -2.165 0.698 14.625 1.0 95.59 ? 180 PHE A CA 1 O49373 UNP 180 F +ATOM 1464 C C . PHE A 1 180 ? -2.201 -0.173 15.878 1.0 95.59 ? 180 PHE A C 1 O49373 UNP 180 F +ATOM 1465 C CB . PHE A 1 180 ? -1.930 2.163 15.004 1.0 95.59 ? 180 PHE A CB 1 O49373 UNP 180 F +ATOM 1466 O O . PHE A 1 180 ? -1.351 -1.043 16.015 1.0 95.59 ? 180 PHE A O 1 O49373 UNP 180 F +ATOM 1467 C CG . PHE A 1 180 ? -0.643 2.392 15.770 1.0 95.59 ? 180 PHE A CG 1 O49373 UNP 180 F +ATOM 1468 C CD1 . PHE A 1 180 ? -0.681 2.984 17.043 1.0 95.59 ? 180 PHE A CD1 1 O49373 UNP 180 F +ATOM 1469 C CD2 . PHE A 1 180 ? 0.598 2.035 15.209 1.0 95.59 ? 180 PHE A CD2 1 O49373 UNP 180 F +ATOM 1470 C CE1 . PHE A 1 180 ? 0.508 3.233 17.746 1.0 95.59 ? 180 PHE A CE1 1 O49373 UNP 180 F +ATOM 1471 C CE2 . PHE A 1 180 ? 1.787 2.306 15.905 1.0 95.59 ? 180 PHE A CE2 1 O49373 UNP 180 F +ATOM 1472 C CZ . PHE A 1 180 ? 1.744 2.903 17.175 1.0 95.59 ? 180 PHE A CZ 1 O49373 UNP 180 F +ATOM 1473 N N . ASP A 1 181 ? -3.213 -0.025 16.734 1.0 95.34 ? 181 ASP A N 1 O49373 UNP 181 D +ATOM 1474 C CA . ASP A 1 181 ? -3.374 -0.838 17.942 1.0 95.34 ? 181 ASP A CA 1 O49373 UNP 181 D +ATOM 1475 C C . ASP A 1 181 ? -3.341 -2.337 17.620 1.0 95.34 ? 181 ASP A C 1 O49373 UNP 181 D +ATOM 1476 C CB . ASP A 1 181 ? -4.721 -0.516 18.607 1.0 95.34 ? 181 ASP A CB 1 O49373 UNP 181 D +ATOM 1477 O O . ASP A 1 181 ? -2.634 -3.108 18.269 1.0 95.34 ? 181 ASP A O 1 O49373 UNP 181 D +ATOM 1478 C CG . ASP A 1 181 ? -4.748 0.754 19.455 1.0 95.34 ? 181 ASP A CG 1 O49373 UNP 181 D +ATOM 1479 O OD1 . ASP A 1 181 ? -3.822 1.583 19.369 1.0 95.34 ? 181 ASP A OD1 1 O49373 UNP 181 D +ATOM 1480 O OD2 . ASP A 1 181 ? -5.705 0.873 20.254 1.0 95.34 ? 181 ASP A OD2 1 O49373 UNP 181 D +ATOM 1481 N N . THR A 1 182 ? -4.077 -2.748 16.583 1.0 96.65 ? 182 THR A N 1 O49373 UNP 182 T +ATOM 1482 C CA . THR A 1 182 ? -4.145 -4.152 16.166 1.0 96.65 ? 182 THR A CA 1 O49373 UNP 182 T +ATOM 1483 C C . THR A 1 182 ? -2.772 -4.662 15.740 1.0 96.65 ? 182 THR A C 1 O49373 UNP 182 T +ATOM 1484 C CB . THR A 1 182 ? -5.173 -4.358 15.045 1.0 96.65 ? 182 THR A CB 1 O49373 UNP 182 T +ATOM 1485 O O . THR A 1 182 ? -2.303 -5.654 16.293 1.0 96.65 ? 182 THR A O 1 O49373 UNP 182 T +ATOM 1486 C CG2 . THR A 1 182 ? -5.297 -5.823 14.617 1.0 96.65 ? 182 THR A CG2 1 O49373 UNP 182 T +ATOM 1487 O OG1 . THR A 1 182 ? -6.451 -3.963 15.486 1.0 96.65 ? 182 THR A OG1 1 O49373 UNP 182 T +ATOM 1488 N N . ILE A 1 183 ? -2.092 -4.005 14.792 1.0 96.38 ? 183 ILE A N 1 O49373 UNP 183 I +ATOM 1489 C CA . ILE A 1 183 ? -0.784 -4.488 14.326 1.0 96.38 ? 183 ILE A CA 1 O49373 UNP 183 I +ATOM 1490 C C . ILE A 1 183 ? 0.274 -4.406 15.425 1.0 96.38 ? 183 ILE A C 1 O49373 UNP 183 I +ATOM 1491 C CB . ILE A 1 183 ? -0.327 -3.778 13.031 1.0 96.38 ? 183 ILE A CB 1 O49373 UNP 183 I +ATOM 1492 O O . ILE A 1 183 ? 1.120 -5.291 15.520 1.0 96.38 ? 183 ILE A O 1 O49373 UNP 183 I +ATOM 1493 C CG1 . ILE A 1 183 ? 0.873 -4.486 12.367 1.0 96.38 ? 183 ILE A CG1 1 O49373 UNP 183 I +ATOM 1494 C CG2 . ILE A 1 183 ? 0.085 -2.314 13.249 1.0 96.38 ? 183 ILE A CG2 1 O49373 UNP 183 I +ATOM 1495 C CD1 . ILE A 1 183 ? 0.591 -5.921 11.907 1.0 96.38 ? 183 ILE A CD1 1 O49373 UNP 183 I +ATOM 1496 N N . PHE A 1 184 ? 0.212 -3.392 16.288 1.0 95.44 ? 184 PHE A N 1 O49373 UNP 184 F +ATOM 1497 C CA . PHE A 1 184 ? 1.162 -3.221 17.378 1.0 95.44 ? 184 PHE A CA 1 O49373 UNP 184 F +ATOM 1498 C C . PHE A 1 184 ? 1.068 -4.372 18.383 1.0 95.44 ? 184 PHE A C 1 O49373 UNP 184 F +ATOM 1499 C CB . PHE A 1 184 ? 0.933 -1.862 18.043 1.0 95.44 ? 184 PHE A CB 1 O49373 UNP 184 F +ATOM 1500 O O . PHE A 1 184 ? 2.103 -4.913 18.778 1.0 95.44 ? 184 PHE A O 1 O49373 UNP 184 F +ATOM 1501 C CG . PHE A 1 184 ? 2.182 -1.297 18.666 1.0 95.44 ? 184 PHE A CG 1 O49373 UNP 184 F +ATOM 1502 C CD1 . PHE A 1 184 ? 2.639 -1.764 19.907 1.0 95.44 ? 184 PHE A CD1 1 O49373 UNP 184 F +ATOM 1503 C CD2 . PHE A 1 184 ? 2.915 -0.325 17.966 1.0 95.44 ? 184 PHE A CD2 1 O49373 UNP 184 F +ATOM 1504 C CE1 . PHE A 1 184 ? 3.842 -1.274 20.434 1.0 95.44 ? 184 PHE A CE1 1 O49373 UNP 184 F +ATOM 1505 C CE2 . PHE A 1 184 ? 4.103 0.189 18.504 1.0 95.44 ? 184 PHE A CE2 1 O49373 UNP 184 F +ATOM 1506 C CZ . PHE A 1 184 ? 4.572 -0.297 19.733 1.0 95.44 ? 184 PHE A CZ 1 O49373 UNP 184 F +ATOM 1507 N N . ILE A 1 185 ? -0.147 -4.825 18.715 1.0 96.28 ? 185 ILE A N 1 O49373 UNP 185 I +ATOM 1508 C CA . ILE A 1 185 ? -0.366 -6.028 19.532 1.0 96.28 ? 185 ILE A CA 1 O49373 UNP 185 I +ATOM 1509 C C . ILE A 1 185 ? 0.170 -7.273 18.821 1.0 96.28 ? 185 ILE A C 1 O49373 UNP 185 I +ATOM 1510 C CB . ILE A 1 185 ? -1.861 -6.188 19.887 1.0 96.28 ? 185 ILE A CB 1 O49373 UNP 185 I +ATOM 1511 O O . ILE A 1 185 ? 0.886 -8.060 19.434 1.0 96.28 ? 185 ILE A O 1 O49373 UNP 185 I +ATOM 1512 C CG1 . ILE A 1 185 ? -2.314 -5.069 20.845 1.0 96.28 ? 185 ILE A CG1 1 O49373 UNP 185 I +ATOM 1513 C CG2 . ILE A 1 185 ? -2.130 -7.562 20.538 1.0 96.28 ? 185 ILE A CG2 1 O49373 UNP 185 I +ATOM 1514 C CD1 . ILE A 1 185 ? -3.837 -4.925 20.934 1.0 96.28 ? 185 ILE A CD1 1 O49373 UNP 185 I +ATOM 1515 N N . LEU A 1 186 ? -0.111 -7.452 17.526 1.0 96.77 ? 186 LEU A N 1 O49373 UNP 186 L +ATOM 1516 C CA . LEU A 1 186 ? 0.378 -8.623 16.781 1.0 96.77 ? 186 LEU A CA 1 O49373 UNP 186 L +ATOM 1517 C C . LEU A 1 186 ? 1.901 -8.676 16.685 1.0 96.77 ? 186 LEU A C 1 O49373 UNP 186 L +ATOM 1518 C CB . LEU A 1 186 ? -0.227 -8.661 15.370 1.0 96.77 ? 186 LEU A CB 1 O49373 UNP 186 L +ATOM 1519 O O . LEU A 1 186 ? 2.486 -9.758 16.633 1.0 96.77 ? 186 LEU A O 1 O49373 UNP 186 L +ATOM 1520 C CG . LEU A 1 186 ? -1.754 -8.785 15.344 1.0 96.77 ? 186 LEU A CG 1 O49373 UNP 186 L +ATOM 1521 C CD1 . LEU A 1 186 ? -2.255 -8.802 13.899 1.0 96.77 ? 186 LEU A CD1 1 O49373 UNP 186 L +ATOM 1522 C CD2 . LEU A 1 186 ? -2.284 -10.004 16.081 1.0 96.77 ? 186 LEU A CD2 1 O49373 UNP 186 L +ATOM 1523 N N . VAL A 1 187 ? 2.545 -7.512 16.650 1.0 96.37 ? 187 VAL A N 1 O49373 UNP 187 V +ATOM 1524 C CA . VAL A 1 187 ? 3.994 -7.403 16.528 1.0 96.37 ? 187 VAL A CA 1 O49373 UNP 187 V +ATOM 1525 C C . VAL A 1 187 ? 4.683 -7.493 17.882 1.0 96.37 ? 187 VAL A C 1 O49373 UNP 187 V +ATOM 1526 C CB . VAL A 1 187 ? 4.376 -6.127 15.760 1.0 96.37 ? 187 VAL A CB 1 O49373 UNP 187 V +ATOM 1527 O O . VAL A 1 187 ? 5.692 -8.174 17.971 1.0 96.37 ? 187 VAL A O 1 O49373 UNP 187 V +ATOM 1528 C CG1 . VAL A 1 187 ? 5.887 -5.896 15.731 1.0 96.37 ? 187 VAL A CG1 1 O49373 UNP 187 V +ATOM 1529 C CG2 . VAL A 1 187 ? 3.939 -6.220 14.291 1.0 96.37 ? 187 VAL A CG2 1 O49373 UNP 187 V +ATOM 1530 N N . THR A 1 188 ? 4.172 -6.834 18.923 1.0 95.10 ? 188 THR A N 1 O49373 UNP 188 T +ATOM 1531 C CA . THR A 1 188 ? 4.884 -6.655 20.207 1.0 95.10 ? 188 THR A CA 1 O49373 UNP 188 T +ATOM 1532 C C . THR A 1 188 ? 4.230 -7.363 21.396 1.0 95.10 ? 188 THR A C 1 O49373 UNP 188 T +ATOM 1533 C CB . THR A 1 188 ? 5.032 -5.163 20.551 1.0 95.10 ? 188 THR A CB 1 O49373 UNP 188 T +ATOM 1534 O O . THR A 1 188 ? 4.807 -7.418 22.483 1.0 95.10 ? 188 THR A O 1 O49373 UNP 188 T +ATOM 1535 C CG2 . THR A 1 188 ? 5.630 -4.322 19.421 1.0 95.10 ? 188 THR A CG2 1 O49373 UNP 188 T +ATOM 1536 O OG1 . THR A 1 188 ? 3.778 -4.618 20.892 1.0 95.10 ? 188 THR A OG1 1 O49373 UNP 188 T +ATOM 1537 N N . GLY A 1 189 ? 3.001 -7.854 21.235 1.0 94.05 ? 189 GLY A N 1 O49373 UNP 189 G +ATOM 1538 C CA . GLY A 1 189 ? 2.161 -8.364 22.322 1.0 94.05 ? 189 GLY A CA 1 O49373 UNP 189 G +ATOM 1539 C C . GLY A 1 189 ? 1.624 -7.276 23.260 1.0 94.05 ? 189 GLY A C 1 O49373 UNP 189 G +ATOM 1540 O O . GLY A 1 189 ? 0.969 -7.600 24.244 1.0 94.05 ? 189 GLY A O 1 O49373 UNP 189 G +ATOM 1541 N N . SER A 1 190 ? 1.902 -5.998 22.985 1.0 93.18 ? 190 SER A N 1 O49373 UNP 190 S +ATOM 1542 C CA . SER A 1 190 ? 1.504 -4.869 23.828 1.0 93.18 ? 190 SER A CA 1 O49373 UNP 190 S +ATOM 1543 C C . SER A 1 190 ? 0.485 -3.981 23.130 1.0 93.18 ? 190 SER A C 1 O49373 UNP 190 S +ATOM 1544 C CB . SER A 1 190 ? 2.718 -4.025 24.199 1.0 93.18 ? 190 SER A CB 1 O49373 UNP 190 S +ATOM 1545 O O . SER A 1 190 ? 0.568 -3.751 21.927 1.0 93.18 ? 190 SER A O 1 O49373 UNP 190 S +ATOM 1546 O OG . SER A 1 190 ? 3.669 -4.788 24.912 1.0 93.18 ? 190 SER A OG 1 O49373 UNP 190 S +ATOM 1547 N N . ASP A 1 191 ? -0.449 -3.440 23.904 1.0 93.16 ? 191 ASP A N 1 O49373 UNP 191 D +ATOM 1548 C CA . ASP A 1 191 ? -1.483 -2.538 23.411 1.0 93.16 ? 191 ASP A CA 1 O49373 UNP 191 D +ATOM 1549 C C . ASP A 1 191 ? -1.093 -1.067 23.654 1.0 93.16 ? 191 ASP A C 1 O49373 UNP 191 D +ATOM 1550 C CB . ASP A 1 191 ? -2.800 -2.909 24.099 1.0 93.16 ? 191 ASP A CB 1 O49373 UNP 191 D +ATOM 1551 O O . ASP A 1 191 ? -1.008 -0.657 24.819 1.0 93.16 ? 191 ASP A O 1 O49373 UNP 191 D +ATOM 1552 C CG . ASP A 1 191 ? -3.982 -2.134 23.537 1.0 93.16 ? 191 ASP A CG 1 O49373 UNP 191 D +ATOM 1553 O OD1 . ASP A 1 191 ? -3.803 -1.272 22.650 1.0 93.16 ? 191 ASP A OD1 1 O49373 UNP 191 D +ATOM 1554 O OD2 . ASP A 1 191 ? -5.127 -2.413 23.947 1.0 93.16 ? 191 ASP A OD2 1 O49373 UNP 191 D +ATOM 1555 N N . PRO A 1 192 ? -0.850 -0.257 22.603 1.0 91.16 ? 192 PRO A N 1 O49373 UNP 192 P +ATOM 1556 C CA . PRO A 1 192 ? -0.553 1.162 22.771 1.0 91.16 ? 192 PRO A CA 1 O49373 UNP 192 P +ATOM 1557 C C . PRO A 1 192 ? -1.788 1.977 23.184 1.0 91.16 ? 192 PRO A C 1 O49373 UNP 192 P +ATOM 1558 C CB . PRO A 1 192 ? 0.031 1.616 21.429 1.0 91.16 ? 192 PRO A CB 1 O49373 UNP 192 P +ATOM 1559 O O . PRO A 1 192 ? -1.620 3.078 23.703 1.0 91.16 ? 192 PRO A O 1 O49373 UNP 192 P +ATOM 1560 C CG . PRO A 1 192 ? -0.649 0.697 20.421 1.0 91.16 ? 192 PRO A CG 1 O49373 UNP 192 P +ATOM 1561 C CD . PRO A 1 192 ? -0.843 -0.612 21.187 1.0 91.16 ? 192 PRO A CD 1 O49373 UNP 192 P +ATOM 1562 N N . ARG A 1 193 ? -3.006 1.432 23.021 1.0 91.25 ? 193 ARG A N 1 O49373 UNP 193 R +ATOM 1563 C CA . ARG A 1 193 ? -4.287 2.080 23.346 1.0 91.25 ? 193 ARG A CA 1 O49373 UNP 193 R +ATOM 1564 C C . ARG A 1 193 ? -4.442 3.455 22.682 1.0 91.25 ? 193 ARG A C 1 O49373 UNP 193 R +ATOM 1565 C CB . ARG A 1 193 ? -4.515 2.104 24.873 1.0 91.25 ? 193 ARG A CB 1 O49373 UNP 193 R +ATOM 1566 O O . ARG A 1 193 ? -4.930 4.391 23.308 1.0 91.25 ? 193 ARG A O 1 O49373 UNP 193 R +ATOM 1567 C CG . ARG A 1 193 ? -4.566 0.700 25.492 1.0 91.25 ? 193 ARG A CG 1 O49373 UNP 193 R +ATOM 1568 C CD . ARG A 1 193 ? -4.831 0.747 27.001 1.0 91.25 ? 193 ARG A CD 1 O49373 UNP 193 R +ATOM 1569 N NE . ARG A 1 193 ? -3.641 1.188 27.755 1.0 91.25 ? 193 ARG A NE 1 O49373 UNP 193 R +ATOM 1570 N NH1 . ARG A 1 193 ? -4.617 1.265 29.831 1.0 91.25 ? 193 ARG A NH1 1 O49373 UNP 193 R +ATOM 1571 N NH2 . ARG A 1 193 ? -2.452 1.756 29.612 1.0 91.25 ? 193 ARG A NH2 1 O49373 UNP 193 R +ATOM 1572 C CZ . ARG A 1 193 ? -3.576 1.399 29.057 1.0 91.25 ? 193 ARG A CZ 1 O49373 UNP 193 R +ATOM 1573 N N . SER A 1 194 ? -4.023 3.576 21.418 1.0 92.21 ? 194 SER A N 1 O49373 UNP 194 S +ATOM 1574 C CA . SER A 1 194 ? -4.130 4.826 20.650 1.0 92.21 ? 194 SER A CA 1 O49373 UNP 194 S +ATOM 1575 C C . SER A 1 194 ? -5.572 5.142 20.239 1.0 92.21 ? 194 SER A C 1 O49373 UNP 194 S +ATOM 1576 C CB . SER A 1 194 ? -3.249 4.775 19.395 1.0 92.21 ? 194 SER A CB 1 O49373 UNP 194 S +ATOM 1577 O O . SER A 1 194 ? -5.895 6.300 19.962 1.0 92.21 ? 194 SER A O 1 O49373 UNP 194 S +ATOM 1578 O OG . SER A 1 194 ? -3.839 3.951 18.404 1.0 92.21 ? 194 SER A OG 1 O49373 UNP 194 S +ATOM 1579 N N . LEU A 1 195 ? -6.438 4.122 20.173 1.0 93.66 ? 195 LEU A N 1 O49373 UNP 195 L +ATOM 1580 C CA . LEU A 1 195 ? -7.866 4.273 19.914 1.0 93.66 ? 195 LEU A CA 1 O49373 UNP 195 L +ATOM 1581 C C . LEU A 1 195 ? -8.617 4.480 21.236 1.0 93.66 ? 195 LEU A C 1 O49373 UNP 195 L +ATOM 1582 C CB . LEU A 1 195 ? -8.365 3.046 19.130 1.0 93.66 ? 195 LEU A CB 1 O49373 UNP 195 L +ATOM 1583 O O . LEU A 1 195 ? -8.916 3.521 21.949 1.0 93.66 ? 195 LEU A O 1 O49373 UNP 195 L +ATOM 1584 C CG . LEU A 1 195 ? -9.824 3.175 18.654 1.0 93.66 ? 195 LEU A CG 1 O49373 UNP 195 L +ATOM 1585 C CD1 . LEU A 1 195 ? -9.980 4.207 17.534 1.0 93.66 ? 195 LEU A CD1 1 O49373 UNP 195 L +ATOM 1586 C CD2 . LEU A 1 195 ? -10.288 1.829 18.101 1.0 93.66 ? 195 LEU A CD2 1 O49373 UNP 195 L +ATOM 1587 N N . SER A 1 196 ? -8.940 5.735 21.538 1.0 92.58 ? 196 SER A N 1 O49373 UNP 196 S +ATOM 1588 C CA . SER A 1 196 ? -9.757 6.140 22.684 1.0 92.58 ? 196 SER A CA 1 O49373 UNP 196 S +ATOM 1589 C C . SER A 1 196 ? -10.690 7.289 22.297 1.0 92.58 ? 196 SER A C 1 O49373 UNP 196 S +ATOM 1590 C CB . SER A 1 196 ? -8.864 6.513 23.875 1.0 92.58 ? 196 SER A CB 1 O49373 UNP 196 S +ATOM 1591 O O . SER A 1 196 ? -10.510 7.903 21.244 1.0 92.58 ? 196 SER A O 1 O49373 UNP 196 S +ATOM 1592 O OG . SER A 1 196 ? -8.339 7.818 23.760 1.0 92.58 ? 196 SER A OG 1 O49373 UNP 196 S +ATOM 1593 N N . ILE A 1 197 ? -11.691 7.578 23.135 1.0 90.01 ? 197 ILE A N 1 O49373 UNP 197 I +ATOM 1594 C CA . ILE A 1 197 ? -12.684 8.638 22.884 1.0 90.01 ? 197 ILE A CA 1 O49373 UNP 197 I +ATOM 1595 C C . ILE A 1 197 ? -12.006 10.007 22.743 1.0 90.01 ? 197 ILE A C 1 O49373 UNP 197 I +ATOM 1596 C CB . ILE A 1 197 ? -13.746 8.635 24.011 1.0 90.01 ? 197 ILE A CB 1 O49373 UNP 197 I +ATOM 1597 O O . ILE A 1 197 ? -12.382 10.799 21.884 1.0 90.01 ? 197 ILE A O 1 O49373 UNP 197 I +ATOM 1598 C CG1 . ILE A 1 197 ? -14.616 7.359 23.898 1.0 90.01 ? 197 ILE A CG1 1 O49373 UNP 197 I +ATOM 1599 C CG2 . ILE A 1 197 ? -14.619 9.900 23.953 1.0 90.01 ? 197 ILE A CG2 1 O49373 UNP 197 I +ATOM 1600 C CD1 . ILE A 1 197 ? -15.562 7.134 25.086 1.0 90.01 ? 197 ILE A CD1 1 O49373 UNP 197 I +ATOM 1601 N N . GLU A 1 198 ? -10.960 10.259 23.531 1.0 87.89 ? 198 GLU A N 1 O49373 UNP 198 E +ATOM 1602 C CA . GLU A 1 198 ? -10.206 11.515 23.524 1.0 87.89 ? 198 GLU A CA 1 O49373 UNP 198 E +ATOM 1603 C C . GLU A 1 198 ? -9.396 11.719 22.236 1.0 87.89 ? 198 GLU A C 1 O49373 UNP 198 E +ATOM 1604 C CB . GLU A 1 198 ? -9.254 11.582 24.735 1.0 87.89 ? 198 GLU A CB 1 O49373 UNP 198 E +ATOM 1605 O O . GLU A 1 198 ? -8.953 12.833 21.967 1.0 87.89 ? 198 GLU A O 1 O49373 UNP 198 E +ATOM 1606 C CG . GLU A 1 198 ? -9.907 11.348 26.110 1.0 87.89 ? 198 GLU A CG 1 O49373 UNP 198 E +ATOM 1607 C CD . GLU A 1 198 ? -10.188 9.870 26.445 1.0 87.89 ? 198 GLU A CD 1 O49373 UNP 198 E +ATOM 1608 O OE1 . GLU A 1 198 ? -10.862 9.626 27.465 1.0 87.89 ? 198 GLU A OE1 1 O49373 UNP 198 E +ATOM 1609 O OE2 . GLU A 1 198 ? -9.743 8.975 25.678 1.0 87.89 ? 198 GLU A OE2 1 O49373 UNP 198 E +ATOM 1610 N N . MET A 1 199 ? -9.183 10.656 21.446 1.0 86.62 ? 199 MET A N 1 O49373 UNP 199 M +ATOM 1611 C CA . MET A 1 199 ? -8.422 10.673 20.192 1.0 86.62 ? 199 MET A CA 1 O49373 UNP 199 M +ATOM 1612 C C . MET A 1 199 ? -7.075 11.434 20.303 1.0 86.62 ? 199 MET A C 1 O49373 UNP 199 M +ATOM 1613 C CB . MET A 1 199 ? -9.333 11.191 19.060 1.0 86.62 ? 199 MET A CB 1 O49373 UNP 199 M +ATOM 1614 O O . MET A 1 199 ? -6.786 12.290 19.460 1.0 86.62 ? 199 MET A O 1 O49373 UNP 199 M +ATOM 1615 C CG . MET A 1 199 ? -10.490 10.232 18.748 1.0 86.62 ? 199 MET A CG 1 O49373 UNP 199 M +ATOM 1616 S SD . MET A 1 199 ? -9.993 8.710 17.884 1.0 86.62 ? 199 MET A SD 1 O49373 UNP 199 M +ATOM 1617 C CE . MET A 1 199 ? -9.874 9.342 16.192 1.0 86.62 ? 199 MET A CE 1 O49373 UNP 199 M +ATOM 1618 N N . PRO A 1 200 ? -6.218 11.133 21.306 1.0 86.35 ? 200 PRO A N 1 O49373 UNP 200 P +ATOM 1619 C CA . PRO A 1 200 ? -5.007 11.910 21.592 1.0 86.35 ? 200 PRO A CA 1 O49373 UNP 200 P +ATOM 1620 C C . PRO A 1 200 ? -3.996 11.839 20.447 1.0 86.35 ? 200 PRO A C 1 O49373 UNP 200 P +ATOM 1621 C CB . PRO A 1 200 ? -4.425 11.294 22.869 1.0 86.35 ? 200 PRO A CB 1 O49373 UNP 200 P +ATOM 1622 O O . PRO A 1 200 ? -3.901 10.813 19.777 1.0 86.35 ? 200 PRO A O 1 O49373 UNP 200 P +ATOM 1623 C CG . PRO A 1 200 ? -4.889 9.838 22.799 1.0 86.35 ? 200 PRO A CG 1 O49373 UNP 200 P +ATOM 1624 C CD . PRO A 1 200 ? -6.279 9.965 22.181 1.0 86.35 ? 200 PRO A CD 1 O49373 UNP 200 P +ATOM 1625 N N . GLU A 1 201 ? -3.206 12.885 20.201 1.0 83.13 ? 201 GLU A N 1 O49373 UNP 201 E +ATOM 1626 C CA . GLU A 1 201 ? -2.142 12.812 19.189 1.0 83.13 ? 201 GLU A CA 1 O49373 UNP 201 E +ATOM 1627 C C . GLU A 1 201 ? -1.174 11.652 19.474 1.0 83.13 ? 201 GLU A C 1 O49373 UNP 201 E +ATOM 1628 C CB . GLU A 1 201 ? -1.354 14.123 19.075 1.0 83.13 ? 201 GLU A CB 1 O49373 UNP 201 E +ATOM 1629 O O . GLU A 1 201 ? -0.712 11.466 20.599 1.0 83.13 ? 201 GLU A O 1 O49373 UNP 201 E +ATOM 1630 C CG . GLU A 1 201 ? -2.167 15.251 18.421 1.0 83.13 ? 201 GLU A CG 1 O49373 UNP 201 E +ATOM 1631 C CD . GLU A 1 201 ? -1.317 16.489 18.070 1.0 83.13 ? 201 GLU A CD 1 O49373 UNP 201 E +ATOM 1632 O OE1 . GLU A 1 201 ? -1.904 17.447 17.520 1.0 83.13 ? 201 GLU A OE1 1 O49373 UNP 201 E +ATOM 1633 O OE2 . GLU A 1 201 ? -0.081 16.473 18.288 1.0 83.13 ? 201 GLU A OE2 1 O49373 UNP 201 E +ATOM 1634 N N . ASP A 1 202 ? -0.868 10.872 18.438 1.0 82.80 ? 202 ASP A N 1 O49373 UNP 202 D +ATOM 1635 C CA . ASP A 1 202 ? 0.048 9.738 18.518 1.0 82.80 ? 202 ASP A CA 1 O49373 UNP 202 D +ATOM 1636 C C . ASP A 1 202 ? 1.362 10.103 17.808 1.0 82.80 ? 202 ASP A C 1 O49373 UNP 202 D +ATOM 1637 C CB . ASP A 1 202 ? -0.667 8.481 17.998 1.0 82.80 ? 202 ASP A CB 1 O49373 UNP 202 D +ATOM 1638 O O . ASP A 1 202 ? 1.403 10.394 16.608 1.0 82.80 ? 202 ASP A O 1 O49373 UNP 202 D +ATOM 1639 C CG . ASP A 1 202 ? 0.194 7.213 18.026 1.0 82.80 ? 202 ASP A CG 1 O49373 UNP 202 D +ATOM 1640 O OD1 . ASP A 1 202 ? 1.415 7.302 17.763 1.0 82.80 ? 202 ASP A OD1 1 O49373 UNP 202 D +ATOM 1641 O OD2 . ASP A 1 202 ? -0.388 6.142 18.284 1.0 82.80 ? 202 ASP A OD2 1 O49373 UNP 202 D +ATOM 1642 N N . GLU A 1 203 ? 2.454 10.120 18.573 1.0 91.35 ? 203 GLU A N 1 O49373 UNP 203 E +ATOM 1643 C CA . GLU A 1 203 ? 3.784 10.476 18.076 1.0 91.35 ? 203 GLU A CA 1 O49373 UNP 203 E +ATOM 1644 C C . GLU A 1 203 ? 4.307 9.509 17.005 1.0 91.35 ? 203 GLU A C 1 O49373 UNP 203 E +ATOM 1645 C CB . GLU A 1 203 ? 4.772 10.575 19.252 1.0 91.35 ? 203 GLU A CB 1 O49373 UNP 203 E +ATOM 1646 O O . GLU A 1 203 ? 4.992 9.928 16.071 1.0 91.35 ? 203 GLU A O 1 O49373 UNP 203 E +ATOM 1647 C CG . GLU A 1 203 ? 4.967 9.272 20.064 1.0 91.35 ? 203 GLU A CG 1 O49373 UNP 203 E +ATOM 1648 C CD . GLU A 1 203 ? 6.015 9.415 21.179 1.0 91.35 ? 203 GLU A CD 1 O49373 UNP 203 E +ATOM 1649 O OE1 . GLU A 1 203 ? 6.428 8.407 21.807 1.0 91.35 ? 203 GLU A OE1 1 O49373 UNP 203 E +ATOM 1650 O OE2 . GLU A 1 203 ? 6.555 10.522 21.382 1.0 91.35 ? 203 GLU A OE2 1 O49373 UNP 203 E +ATOM 1651 N N . PHE A 1 204 ? 3.965 8.223 17.111 1.0 89.12 ? 204 PHE A N 1 O49373 UNP 204 F +ATOM 1652 C CA . PHE A 1 204 ? 4.375 7.191 16.167 1.0 89.12 ? 204 PHE A CA 1 O49373 UNP 204 F +ATOM 1653 C C . PHE A 1 204 ? 3.578 7.313 14.869 1.0 89.12 ? 204 PHE A C 1 O49373 UNP 204 F +ATOM 1654 C CB . PHE A 1 204 ? 4.178 5.816 16.818 1.0 89.12 ? 204 PHE A CB 1 O49373 UNP 204 F +ATOM 1655 O O . PHE A 1 204 ? 4.142 7.226 13.779 1.0 89.12 ? 204 PHE A O 1 O49373 UNP 204 F +ATOM 1656 C CG . PHE A 1 204 ? 4.944 4.705 16.133 1.0 89.12 ? 204 PHE A CG 1 O49373 UNP 204 F +ATOM 1657 C CD1 . PHE A 1 204 ? 4.465 4.127 14.944 1.0 89.12 ? 204 PHE A CD1 1 O49373 UNP 204 F +ATOM 1658 C CD2 . PHE A 1 204 ? 6.157 4.258 16.684 1.0 89.12 ? 204 PHE A CD2 1 O49373 UNP 204 F +ATOM 1659 C CE1 . PHE A 1 204 ? 5.197 3.101 14.321 1.0 89.12 ? 204 PHE A CE1 1 O49373 UNP 204 F +ATOM 1660 C CE2 . PHE A 1 204 ? 6.870 3.209 16.080 1.0 89.12 ? 204 PHE A CE2 1 O49373 UNP 204 F +ATOM 1661 C CZ . PHE A 1 204 ? 6.388 2.629 14.896 1.0 89.12 ? 204 PHE A CZ 1 O49373 UNP 204 F +ATOM 1662 N N . ALA A 1 205 ? 2.277 7.584 14.984 1.0 84.85 ? 205 ALA A N 1 O49373 UNP 205 A +ATOM 1663 C CA . ALA A 1 205 ? 1.405 7.890 13.858 1.0 84.85 ? 205 ALA A CA 1 O49373 UNP 205 A +ATOM 1664 C C . ALA A 1 205 ? 1.913 9.088 13.045 1.0 84.85 ? 205 ALA A C 1 O49373 UNP 205 A +ATOM 1665 C CB . ALA A 1 205 ? 0.008 8.171 14.416 1.0 84.85 ? 205 ALA A CB 1 O49373 UNP 205 A +ATOM 1666 O O . ALA A 1 205 ? 2.050 8.991 11.826 1.0 84.85 ? 205 ALA A O 1 O49373 UNP 205 A +ATOM 1667 N N . LYS A 1 206 ? 2.251 10.189 13.726 1.0 91.51 ? 206 LYS A N 1 O49373 UNP 206 K +ATOM 1668 C CA . LYS A 1 206 ? 2.816 11.388 13.097 1.0 91.51 ? 206 LYS A CA 1 O49373 UNP 206 K +ATOM 1669 C C . LYS A 1 206 ? 4.153 11.100 12.410 1.0 91.51 ? 206 LYS A C 1 O49373 UNP 206 K +ATOM 1670 C CB . LYS A 1 206 ? 2.953 12.465 14.177 1.0 91.51 ? 206 LYS A CB 1 O49373 UNP 206 K +ATOM 1671 O O . LYS A 1 206 ? 4.370 11.536 11.282 1.0 91.51 ? 206 LYS A O 1 O49373 UNP 206 K +ATOM 1672 C CG . LYS A 1 206 ? 3.500 13.783 13.617 1.0 91.51 ? 206 LYS A CG 1 O49373 UNP 206 K +ATOM 1673 C CD . LYS A 1 206 ? 3.576 14.804 14.751 1.0 91.51 ? 206 LYS A CD 1 O49373 UNP 206 K +ATOM 1674 C CE . LYS A 1 206 ? 4.141 16.125 14.237 1.0 91.51 ? 206 LYS A CE 1 O49373 UNP 206 K +ATOM 1675 N NZ . LYS A 1 206 ? 4.167 17.115 15.339 1.0 91.51 ? 206 LYS A NZ 1 O49373 UNP 206 K +ATOM 1676 N N . ALA A 1 207 ? 5.029 10.333 13.063 1.0 94.88 ? 207 ALA A N 1 O49373 UNP 207 A +ATOM 1677 C CA . ALA A 1 207 ? 6.309 9.929 12.488 1.0 94.88 ? 207 ALA A CA 1 O49373 UNP 207 A +ATOM 1678 C C . ALA A 1 207 ? 6.135 9.107 11.195 1.0 94.88 ? 207 ALA A C 1 O49373 UNP 207 A +ATOM 1679 C CB . ALA A 1 207 ? 7.093 9.165 13.563 1.0 94.88 ? 207 ALA A CB 1 O49373 UNP 207 A +ATOM 1680 O O . ALA A 1 207 ? 6.885 9.303 10.239 1.0 94.88 ? 207 ALA A O 1 O49373 UNP 207 A +ATOM 1681 N N . LEU A 1 208 ? 5.136 8.220 11.129 1.0 90.25 ? 208 LEU A N 1 O49373 UNP 208 L +ATOM 1682 C CA . LEU A 1 208 ? 4.813 7.466 9.910 1.0 90.25 ? 208 LEU A CA 1 O49373 UNP 208 L +ATOM 1683 C C . LEU A 1 208 ? 4.327 8.377 8.773 1.0 90.25 ? 208 LEU A C 1 O49373 UNP 208 L +ATOM 1684 C CB . LEU A 1 208 ? 3.763 6.391 10.233 1.0 90.25 ? 208 LEU A CB 1 O49373 UNP 208 L +ATOM 1685 O O . LEU A 1 208 ? 4.786 8.227 7.636 1.0 90.25 ? 208 LEU A O 1 O49373 UNP 208 L +ATOM 1686 C CG . LEU A 1 208 ? 4.279 5.185 11.036 1.0 90.25 ? 208 LEU A CG 1 O49373 UNP 208 L +ATOM 1687 C CD1 . LEU A 1 208 ? 3.093 4.308 11.432 1.0 90.25 ? 208 LEU A CD1 1 O49373 UNP 208 L +ATOM 1688 C CD2 . LEU A 1 208 ? 5.228 4.306 10.220 1.0 90.25 ? 208 LEU A CD2 1 O49373 UNP 208 L +ATOM 1689 N N . ASP A 1 209 ? 3.468 9.351 9.076 1.0 90.48 ? 209 ASP A N 1 O49373 UNP 209 D +ATOM 1690 C CA . ASP A 1 209 ? 2.954 10.301 8.083 1.0 90.48 ? 209 ASP A CA 1 O49373 UNP 209 D +ATOM 1691 C C . ASP A 1 209 ? 4.087 11.161 7.487 1.0 90.48 ? 209 ASP A C 1 O49373 UNP 209 D +ATOM 1692 C CB . ASP A 1 209 ? 1.861 11.186 8.712 1.0 90.48 ? 209 ASP A CB 1 O49373 UNP 209 D +ATOM 1693 O O . ASP A 1 209 ? 4.201 11.290 6.262 1.0 90.48 ? 209 ASP A O 1 O49373 UNP 209 D +ATOM 1694 C CG . ASP A 1 209 ? 0.583 10.440 9.132 1.0 90.48 ? 209 ASP A CG 1 O49373 UNP 209 D +ATOM 1695 O OD1 . ASP A 1 209 ? 0.371 9.279 8.706 1.0 90.48 ? 209 ASP A OD1 1 O49373 UNP 209 D +ATOM 1696 O OD2 . ASP A 1 209 ? -0.221 11.054 9.867 1.0 90.48 ? 209 ASP A OD2 1 O49373 UNP 209 D +ATOM 1697 N N . ASP A 1 210 ? 4.984 11.675 8.338 1.0 93.42 ? 210 ASP A N 1 O49373 UNP 210 D +ATOM 1698 C CA . ASP A 1 210 ? 6.158 12.448 7.912 1.0 93.42 ? 210 ASP A CA 1 O49373 UNP 210 D +ATOM 1699 C C . ASP A 1 210 ? 7.118 11.604 7.048 1.0 93.42 ? 210 ASP A C 1 O49373 UNP 210 D +ATOM 1700 C CB . ASP A 1 210 ? 6.882 13.023 9.146 1.0 93.42 ? 210 ASP A CB 1 O49373 UNP 210 D +ATOM 1701 O O . ASP A 1 210 ? 7.691 12.103 6.071 1.0 93.42 ? 210 ASP A O 1 O49373 UNP 210 D +ATOM 1702 C CG . ASP A 1 210 ? 6.214 14.266 9.767 1.0 93.42 ? 210 ASP A CG 1 O49373 UNP 210 D +ATOM 1703 O OD1 . ASP A 1 210 ? 5.591 15.079 9.031 1.0 93.42 ? 210 ASP A OD1 1 O49373 UNP 210 D +ATOM 1704 O OD2 . ASP A 1 210 ? 6.468 14.523 10.965 1.0 93.42 ? 210 ASP A OD2 1 O49373 UNP 210 D +ATOM 1705 N N . VAL A 1 211 ? 7.253 10.303 7.336 1.0 93.83 ? 211 VAL A N 1 O49373 UNP 211 V +ATOM 1706 C CA . VAL A 1 211 ? 8.016 9.366 6.496 1.0 93.83 ? 211 VAL A CA 1 O49373 UNP 211 V +ATOM 1707 C C . VAL A 1 211 ? 7.378 9.152 5.132 1.0 93.83 ? 211 VAL A C 1 O49373 UNP 211 V +ATOM 1708 C CB . VAL A 1 211 ? 8.283 8.045 7.233 1.0 93.83 ? 211 VAL A CB 1 O49373 UNP 211 V +ATOM 1709 O O . VAL A 1 211 ? 8.075 9.212 4.113 1.0 93.83 ? 211 VAL A O 1 O49373 UNP 211 V +ATOM 1710 C CG1 . VAL A 1 211 ? 8.776 6.913 6.321 1.0 93.83 ? 211 VAL A CG1 1 O49373 UNP 211 V +ATOM 1711 C CG2 . VAL A 1 211 ? 9.393 8.300 8.248 1.0 93.83 ? 211 VAL A CG2 1 O49373 UNP 211 V +ATOM 1712 N N . GLY A 1 212 ? 6.063 8.937 5.087 1.0 90.56 ? 212 GLY A N 1 O49373 UNP 212 G +ATOM 1713 C CA . GLY A 1 212 ? 5.325 8.767 3.838 1.0 90.56 ? 212 GLY A CA 1 O49373 UNP 212 G +ATOM 1714 C C . GLY A 1 212 ? 5.458 9.978 2.911 1.0 90.56 ? 212 GLY A C 1 O49373 UNP 212 G +ATOM 1715 O O . GLY A 1 212 ? 5.688 9.808 1.706 1.0 90.56 ? 212 GLY A O 1 O49373 UNP 212 G +ATOM 1716 N N . GLU A 1 213 ? 5.358 11.188 3.470 1.0 91.31 ? 213 GLU A N 1 O49373 UNP 213 E +ATOM 1717 C CA . GLU A 1 213 ? 5.561 12.449 2.752 1.0 91.31 ? 213 GLU A CA 1 O49373 UNP 213 E +ATOM 1718 C C . GLU A 1 213 ? 7.025 12.584 2.286 1.0 91.31 ? 213 GLU A C 1 O49373 UNP 213 E +ATOM 1719 C CB . GLU A 1 213 ? 5.098 13.638 3.637 1.0 91.31 ? 213 GLU A CB 1 O49373 UNP 213 E +ATOM 1720 O O . GLU A 1 213 ? 7.298 12.759 1.091 1.0 91.31 ? 213 GLU A O 1 O49373 UNP 213 E +ATOM 1721 C CG . GLU A 1 213 ? 5.165 14.949 2.841 1.0 91.31 ? 213 GLU A CG 1 O49373 UNP 213 E +ATOM 1722 C CD . GLU A 1 213 ? 4.719 16.262 3.526 1.0 91.31 ? 213 GLU A CD 1 O49373 UNP 213 E +ATOM 1723 O OE1 . GLU A 1 213 ? 4.414 17.215 2.763 1.0 91.31 ? 213 GLU A OE1 1 O49373 UNP 213 E +ATOM 1724 O OE2 . GLU A 1 213 ? 4.880 16.453 4.751 1.0 91.31 ? 213 GLU A OE2 1 O49373 UNP 213 E +ATOM 1725 N N . GLY A 1 214 ? 7.989 12.452 3.202 1.0 93.90 ? 214 GLY A N 1 O49373 UNP 214 G +ATOM 1726 C CA . GLY A 1 214 ? 9.410 12.658 2.920 1.0 93.90 ? 214 GLY A CA 1 O49373 UNP 214 G +ATOM 1727 C C . GLY A 1 214 ? 9.977 11.706 1.860 1.0 93.90 ? 214 GLY A C 1 O49373 UNP 214 G +ATOM 1728 O O . GLY A 1 214 ? 10.675 12.149 0.940 1.0 93.90 ? 214 GLY A O 1 O49373 UNP 214 G +ATOM 1729 N N . ILE A 1 215 ? 9.605 10.420 1.905 1.0 94.46 ? 215 ILE A N 1 O49373 UNP 215 I +ATOM 1730 C CA . ILE A 1 215 ? 9.994 9.421 0.895 1.0 94.46 ? 215 ILE A CA 1 O49373 UNP 215 I +ATOM 1731 C C . ILE A 1 215 ? 9.530 9.842 -0.501 1.0 94.46 ? 215 ILE A C 1 O49373 UNP 215 I +ATOM 1732 C CB . ILE A 1 215 ? 9.430 8.032 1.274 1.0 94.46 ? 215 ILE A CB 1 O49373 UNP 215 I +ATOM 1733 O O . ILE A 1 215 ? 10.297 9.740 -1.465 1.0 94.46 ? 215 ILE A O 1 O49373 UNP 215 I +ATOM 1734 C CG1 . ILE A 1 215 ? 10.254 7.447 2.444 1.0 94.46 ? 215 ILE A CG1 1 O49373 UNP 215 I +ATOM 1735 C CG2 . ILE A 1 215 ? 9.438 7.047 0.085 1.0 94.46 ? 215 ILE A CG2 1 O49373 UNP 215 I +ATOM 1736 C CD1 . ILE A 1 215 ? 9.627 6.196 3.068 1.0 94.46 ? 215 ILE A CD1 1 O49373 UNP 215 I +ATOM 1737 N N . LEU A 1 216 ? 8.294 10.332 -0.642 1.0 93.05 ? 216 LEU A N 1 O49373 UNP 216 L +ATOM 1738 C CA . LEU A 1 216 ? 7.796 10.799 -1.934 1.0 93.05 ? 216 LEU A CA 1 O49373 UNP 216 L +ATOM 1739 C C . LEU A 1 216 ? 8.628 11.991 -2.434 1.0 93.05 ? 216 LEU A C 1 O49373 UNP 216 L +ATOM 1740 C CB . LEU A 1 216 ? 6.298 11.136 -1.822 1.0 93.05 ? 216 LEU A CB 1 O49373 UNP 216 L +ATOM 1741 O O . LEU A 1 216 ? 9.091 11.979 -3.576 1.0 93.05 ? 216 LEU A O 1 O49373 UNP 216 L +ATOM 1742 C CG . LEU A 1 216 ? 5.710 11.669 -3.141 1.0 93.05 ? 216 LEU A CG 1 O49373 UNP 216 L +ATOM 1743 C CD1 . LEU A 1 216 ? 5.598 10.580 -4.209 1.0 93.05 ? 216 LEU A CD1 1 O49373 UNP 216 L +ATOM 1744 C CD2 . LEU A 1 216 ? 4.316 12.243 -2.946 1.0 93.05 ? 216 LEU A CD2 1 O49373 UNP 216 L +ATOM 1745 N N . TYR A 1 217 ? 8.883 12.993 -1.587 1.0 92.43 ? 217 TYR A N 1 O49373 UNP 217 Y +ATOM 1746 C CA . TYR A 1 217 ? 9.657 14.177 -1.983 1.0 92.43 ? 217 TYR A CA 1 O49373 UNP 217 Y +ATOM 1747 C C . TYR A 1 217 ? 11.088 13.859 -2.420 1.0 92.43 ? 217 TYR A C 1 O49373 UNP 217 Y +ATOM 1748 C CB . TYR A 1 217 ? 9.689 15.213 -0.857 1.0 92.43 ? 217 TYR A CB 1 O49373 UNP 217 Y +ATOM 1749 O O . TYR A 1 217 ? 11.592 14.511 -3.341 1.0 92.43 ? 217 TYR A O 1 O49373 UNP 217 Y +ATOM 1750 C CG . TYR A 1 217 ? 8.466 16.097 -0.836 1.0 92.43 ? 217 TYR A CG 1 O49373 UNP 217 Y +ATOM 1751 C CD1 . TYR A 1 217 ? 8.311 17.134 -1.779 1.0 92.43 ? 217 TYR A CD1 1 O49373 UNP 217 Y +ATOM 1752 C CD2 . TYR A 1 217 ? 7.472 15.875 0.124 1.0 92.43 ? 217 TYR A CD2 1 O49373 UNP 217 Y +ATOM 1753 C CE1 . TYR A 1 217 ? 7.165 17.958 -1.742 1.0 92.43 ? 217 TYR A CE1 1 O49373 UNP 217 Y +ATOM 1754 C CE2 . TYR A 1 217 ? 6.319 16.671 0.135 1.0 92.43 ? 217 TYR A CE2 1 O49373 UNP 217 Y +ATOM 1755 O OH . TYR A 1 217 ? 5.060 18.506 -0.689 1.0 92.43 ? 217 TYR A OH 1 O49373 UNP 217 Y +ATOM 1756 C CZ . TYR A 1 217 ? 6.165 17.724 -0.775 1.0 92.43 ? 217 TYR A CZ 1 O49373 UNP 217 Y +ATOM 1757 N N . ARG A 1 218 ? 11.736 12.850 -1.826 1.0 94.28 ? 218 ARG A N 1 O49373 UNP 218 R +ATOM 1758 C CA . ARG A 1 218 ? 13.071 12.394 -2.248 1.0 94.28 ? 218 ARG A CA 1 O49373 UNP 218 R +ATOM 1759 C C . ARG A 1 218 ? 13.107 11.910 -3.705 1.0 94.28 ? 218 ARG A C 1 O49373 UNP 218 R +ATOM 1760 C CB . ARG A 1 218 ? 13.573 11.305 -1.285 1.0 94.28 ? 218 ARG A CB 1 O49373 UNP 218 R +ATOM 1761 O O . ARG A 1 218 ? 14.151 12.019 -4.343 1.0 94.28 ? 218 ARG A O 1 O49373 UNP 218 R +ATOM 1762 C CG . ARG A 1 218 ? 14.023 11.862 0.078 1.0 94.28 ? 218 ARG A CG 1 O49373 UNP 218 R +ATOM 1763 C CD . ARG A 1 218 ? 14.414 10.706 1.004 1.0 94.28 ? 218 ARG A CD 1 O49373 UNP 218 R +ATOM 1764 N NE . ARG A 1 218 ? 14.971 11.168 2.286 1.0 94.28 ? 218 ARG A NE 1 O49373 UNP 218 R +ATOM 1765 N NH1 . ARG A 1 218 ? 15.368 9.077 3.158 1.0 94.28 ? 218 ARG A NH1 1 O49373 UNP 218 R +ATOM 1766 N NH2 . ARG A 1 218 ? 16.022 10.852 4.285 1.0 94.28 ? 218 ARG A NH2 1 O49373 UNP 218 R +ATOM 1767 C CZ . ARG A 1 218 ? 15.447 10.371 3.229 1.0 94.28 ? 218 ARG A CZ 1 O49373 UNP 218 R +ATOM 1768 N N . HIS A 1 219 ? 11.985 11.461 -4.281 1.0 92.30 ? 219 HIS A N 1 O49373 UNP 219 H +ATOM 1769 C CA . HIS A 1 219 ? 11.906 11.087 -5.704 1.0 92.30 ? 219 HIS A CA 1 O49373 UNP 219 H +ATOM 1770 C C . HIS A 1 219 ? 11.867 12.301 -6.649 1.0 92.30 ? 219 HIS A C 1 O49373 UNP 219 H +ATOM 1771 C CB . HIS A 1 219 ? 10.698 10.171 -5.951 1.0 92.30 ? 219 HIS A CB 1 O49373 UNP 219 H +ATOM 1772 O O . HIS A 1 219 ? 12.221 12.186 -7.822 1.0 92.30 ? 219 HIS A O 1 O49373 UNP 219 H +ATOM 1773 C CG . HIS A 1 219 ? 10.818 8.823 -5.285 1.0 92.30 ? 219 HIS A CG 1 O49373 UNP 219 H +ATOM 1774 C CD2 . HIS A 1 219 ? 11.194 7.651 -5.886 1.0 92.30 ? 219 HIS A CD2 1 O49373 UNP 219 H +ATOM 1775 N ND1 . HIS A 1 219 ? 10.582 8.532 -3.962 1.0 92.30 ? 219 HIS A ND1 1 O49373 UNP 219 H +ATOM 1776 C CE1 . HIS A 1 219 ? 10.804 7.223 -3.773 1.0 92.30 ? 219 HIS A CE1 1 O49373 UNP 219 H +ATOM 1777 N NE2 . HIS A 1 219 ? 11.205 6.638 -4.918 1.0 92.30 ? 219 HIS A NE2 1 O49373 UNP 219 H +ATOM 1778 N N . PHE A 1 220 ? 11.489 13.478 -6.144 1.0 90.23 ? 220 PHE A N 1 O49373 UNP 220 F +ATOM 1779 C CA . PHE A 1 220 ? 11.387 14.718 -6.921 1.0 90.23 ? 220 PHE A CA 1 O49373 UNP 220 F +ATOM 1780 C C . PHE A 1 220 ? 12.542 15.693 -6.676 1.0 90.23 ? 220 PHE A C 1 O49373 UNP 220 F +ATOM 1781 C CB . PHE A 1 220 ? 10.023 15.361 -6.658 1.0 90.23 ? 220 PHE A CB 1 O49373 UNP 220 F +ATOM 1782 O O . PHE A 1 220 ? 12.560 16.784 -7.249 1.0 90.23 ? 220 PHE A O 1 O49373 UNP 220 F +ATOM 1783 C CG . PHE A 1 220 ? 8.858 14.453 -6.996 1.0 90.23 ? 220 PHE A CG 1 O49373 UNP 220 F +ATOM 1784 C CD1 . PHE A 1 220 ? 8.716 13.948 -8.299 1.0 90.23 ? 220 PHE A CD1 1 O49373 UNP 220 F +ATOM 1785 C CD2 . PHE A 1 220 ? 7.933 14.078 -6.009 1.0 90.23 ? 220 PHE A CD2 1 O49373 UNP 220 F +ATOM 1786 C CE1 . PHE A 1 220 ? 7.651 13.097 -8.633 1.0 90.23 ? 220 PHE A CE1 1 O49373 UNP 220 F +ATOM 1787 C CE2 . PHE A 1 220 ? 6.863 13.232 -6.344 1.0 90.23 ? 220 PHE A CE2 1 O49373 UNP 220 F +ATOM 1788 C CZ . PHE A 1 220 ? 6.726 12.731 -7.647 1.0 90.23 ? 220 PHE A CZ 1 O49373 UNP 220 F +ATOM 1789 N N . LYS A 1 221 ? 13.524 15.299 -5.860 1.0 90.29 ? 221 LYS A N 1 O49373 UNP 221 K +ATOM 1790 C CA . LYS A 1 221 ? 14.714 16.091 -5.554 1.0 90.29 ? 221 LYS A CA 1 O49373 UNP 221 K +ATOM 1791 C C . LYS A 1 221 ? 15.988 15.351 -5.977 1.0 90.29 ? 221 LYS A C 1 O49373 UNP 221 K +ATOM 1792 C CB . LYS A 1 221 ? 14.753 16.419 -4.057 1.0 90.29 ? 221 LYS A CB 1 O49373 UNP 221 K +ATOM 1793 O O . LYS A 1 221 ? 16.121 14.160 -5.703 1.0 90.29 ? 221 LYS A O 1 O49373 UNP 221 K +ATOM 1794 C CG . LYS A 1 221 ? 13.681 17.441 -3.648 1.0 90.29 ? 221 LYS A CG 1 O49373 UNP 221 K +ATOM 1795 C CD . LYS A 1 221 ? 13.781 17.676 -2.138 1.0 90.29 ? 221 LYS A CD 1 O49373 UNP 221 K +ATOM 1796 C CE . LYS A 1 221 ? 12.760 18.697 -1.633 1.0 90.29 ? 221 LYS A CE 1 O49373 UNP 221 K +ATOM 1797 N NZ . LYS A 1 221 ? 12.837 18.781 -0.154 1.0 90.29 ? 221 LYS A NZ 1 O49373 UNP 221 K +ATOM 1798 N N . PRO A 1 222 ? 16.962 16.048 -6.584 1.0 91.50 ? 222 PRO A N 1 O49373 UNP 222 P +ATOM 1799 C CA . PRO A 1 222 ? 18.311 15.526 -6.756 1.0 91.50 ? 222 PRO A CA 1 O49373 UNP 222 P +ATOM 1800 C C . PRO A 1 222 ? 18.906 15.022 -5.439 1.0 91.50 ? 222 PRO A C 1 O49373 UNP 222 P +ATOM 1801 C CB . PRO A 1 222 ? 19.136 16.690 -7.301 1.0 91.50 ? 222 PRO A CB 1 O49373 UNP 222 P +ATOM 1802 O O . PRO A 1 222 ? 18.747 15.661 -4.396 1.0 91.50 ? 222 PRO A O 1 O49373 UNP 222 P +ATOM 1803 C CG . PRO A 1 222 ? 18.112 17.581 -7.998 1.0 91.50 ? 222 PRO A CG 1 O49373 UNP 222 P +ATOM 1804 C CD . PRO A 1 222 ? 16.829 17.356 -7.200 1.0 91.50 ? 222 PRO A CD 1 O49373 UNP 222 P +ATOM 1805 N N . ARG A 1 223 ? 19.659 13.919 -5.511 1.0 91.84 ? 223 ARG A N 1 O49373 UNP 223 R +ATOM 1806 C CA . ARG A 1 223 ? 20.248 13.253 -4.341 1.0 91.84 ? 223 ARG A CA 1 O49373 UNP 223 R +ATOM 1807 C C . ARG A 1 223 ? 21.054 14.179 -3.438 1.0 91.84 ? 223 ARG A C 1 O49373 UNP 223 R +ATOM 1808 C CB . ARG A 1 223 ? 21.044 12.022 -4.787 1.0 91.84 ? 223 ARG A CB 1 O49373 UNP 223 R +ATOM 1809 O O . ARG A 1 223 ? 20.865 14.197 -2.226 1.0 91.84 ? 223 ARG A O 1 O49373 UNP 223 R +ATOM 1810 C CG . ARG A 1 223 ? 21.544 11.225 -3.578 1.0 91.84 ? 223 ARG A CG 1 O49373 UNP 223 R +ATOM 1811 C CD . ARG A 1 223 ? 22.284 9.969 -4.030 1.0 91.84 ? 223 ARG A CD 1 O49373 UNP 223 R +ATOM 1812 N NE . ARG A 1 223 ? 22.744 9.224 -2.859 1.0 91.84 ? 223 ARG A NE 1 O49373 UNP 223 R +ATOM 1813 N NH1 . ARG A 1 223 ? 24.907 9.987 -2.662 1.0 91.84 ? 223 ARG A NH1 1 O49373 UNP 223 R +ATOM 1814 N NH2 . ARG A 1 223 ? 24.028 8.571 -1.150 1.0 91.84 ? 223 ARG A NH2 1 O49373 UNP 223 R +ATOM 1815 C CZ . ARG A 1 223 ? 23.901 9.270 -2.237 1.0 91.84 ? 223 ARG A CZ 1 O49373 UNP 223 R +ATOM 1816 N N . PHE A 1 224 ? 21.930 14.974 -4.042 1.0 91.89 ? 224 PHE A N 1 O49373 UNP 224 F +ATOM 1817 C CA . PHE A 1 224 ? 22.788 15.894 -3.304 1.0 91.89 ? 224 PHE A CA 1 O49373 UNP 224 F +ATOM 1818 C C . PHE A 1 224 ? 21.989 16.968 -2.549 1.0 91.89 ? 224 PHE A C 1 O49373 UNP 224 F +ATOM 1819 C CB . PHE A 1 224 ? 23.799 16.519 -4.274 1.0 91.89 ? 224 PHE A CB 1 O49373 UNP 224 F +ATOM 1820 O O . PHE A 1 224 ? 22.406 17.370 -1.469 1.0 91.89 ? 224 PHE A O 1 O49373 UNP 224 F +ATOM 1821 C CG . PHE A 1 224 ? 23.214 17.563 -5.208 1.0 91.89 ? 224 PHE A CG 1 O49373 UNP 224 F +ATOM 1822 C CD1 . PHE A 1 224 ? 22.659 17.194 -6.449 1.0 91.89 ? 224 PHE A CD1 1 O49373 UNP 224 F +ATOM 1823 C CD2 . PHE A 1 224 ? 23.244 18.919 -4.833 1.0 91.89 ? 224 PHE A CD2 1 O49373 UNP 224 F +ATOM 1824 C CE1 . PHE A 1 224 ? 22.136 18.180 -7.307 1.0 91.89 ? 224 PHE A CE1 1 O49373 UNP 224 F +ATOM 1825 C CE2 . PHE A 1 224 ? 22.735 19.902 -5.697 1.0 91.89 ? 224 PHE A CE2 1 O49373 UNP 224 F +ATOM 1826 C CZ . PHE A 1 224 ? 22.171 19.533 -6.930 1.0 91.89 ? 224 PHE A CZ 1 O49373 UNP 224 F +ATOM 1827 N N . LEU A 1 225 ? 20.831 17.403 -3.070 1.0 92.38 ? 225 LEU A N 1 O49373 UNP 225 L +ATOM 1828 C CA . LEU A 1 225 ? 20.024 18.445 -2.431 1.0 92.38 ? 225 LEU A CA 1 O49373 UNP 225 L +ATOM 1829 C C . LEU A 1 225 ? 19.343 17.944 -1.164 1.0 92.38 ? 225 LEU A C 1 O49373 UNP 225 L +ATOM 1830 C CB . LEU A 1 225 ? 18.963 19.014 -3.393 1.0 92.38 ? 225 LEU A CB 1 O49373 UNP 225 L +ATOM 1831 O O . LEU A 1 225 ? 19.379 18.636 -0.153 1.0 92.38 ? 225 LEU A O 1 O49373 UNP 225 L +ATOM 1832 C CG . LEU A 1 225 ? 19.515 19.922 -4.500 1.0 92.38 ? 225 LEU A CG 1 O49373 UNP 225 L +ATOM 1833 C CD1 . LEU A 1 225 ? 18.372 20.471 -5.351 1.0 92.38 ? 225 LEU A CD1 1 O49373 UNP 225 L +ATOM 1834 C CD2 . LEU A 1 225 ? 20.260 21.139 -3.947 1.0 92.38 ? 225 LEU A CD2 1 O49373 UNP 225 L +ATOM 1835 N N . TRP A 1 226 ? 18.727 16.762 -1.194 1.0 93.62 ? 226 TRP A N 1 O49373 UNP 226 W +ATOM 1836 C CA . TRP A 1 226 ? 18.081 16.247 0.012 1.0 93.62 ? 226 TRP A CA 1 O49373 UNP 226 W +ATOM 1837 C C . TRP A 1 226 ? 19.107 15.738 1.034 1.0 93.62 ? 226 TRP A C 1 O49373 UNP 226 W +ATOM 1838 C CB . TRP A 1 226 ? 16.991 15.245 -0.349 1.0 93.62 ? 226 TRP A CB 1 O49373 UNP 226 W +ATOM 1839 O O . TRP A 1 226 ? 18.923 15.959 2.224 1.0 93.62 ? 226 TRP A O 1 O49373 UNP 226 W +ATOM 1840 C CG . TRP A 1 226 ? 17.437 13.982 -1.001 1.0 93.62 ? 226 TRP A CG 1 O49373 UNP 226 W +ATOM 1841 C CD1 . TRP A 1 226 ? 17.232 13.645 -2.292 1.0 93.62 ? 226 TRP A CD1 1 O49373 UNP 226 W +ATOM 1842 C CD2 . TRP A 1 226 ? 18.041 12.817 -0.367 1.0 93.62 ? 226 TRP A CD2 1 O49373 UNP 226 W +ATOM 1843 C CE2 . TRP A 1 226 ? 18.226 11.815 -1.363 1.0 93.62 ? 226 TRP A CE2 1 O49373 UNP 226 W +ATOM 1844 C CE3 . TRP A 1 226 ? 18.364 12.475 0.962 1.0 93.62 ? 226 TRP A CE3 1 O49373 UNP 226 W +ATOM 1845 N NE1 . TRP A 1 226 ? 17.621 12.337 -2.483 1.0 93.62 ? 226 TRP A NE1 1 O49373 UNP 226 W +ATOM 1846 C CH2 . TRP A 1 226 ? 19.062 10.242 0.257 1.0 93.62 ? 226 TRP A CH2 1 O49373 UNP 226 W +ATOM 1847 C CZ2 . TRP A 1 226 ? 18.777 10.560 -1.078 1.0 93.62 ? 226 TRP A CZ2 1 O49373 UNP 226 W +ATOM 1848 C CZ3 . TRP A 1 226 ? 18.840 11.190 1.273 1.0 93.62 ? 226 TRP A CZ3 1 O49373 UNP 226 W +ATOM 1849 N N . LYS A 1 227 ? 20.260 15.198 0.608 1.0 94.27 ? 227 LYS A N 1 O49373 UNP 227 K +ATOM 1850 C CA . LYS A 1 227 ? 21.374 14.912 1.535 1.0 94.27 ? 227 LYS A CA 1 O49373 UNP 227 K +ATOM 1851 C C . LYS A 1 227 ? 21.917 16.184 2.199 1.0 94.27 ? 227 LYS A C 1 O49373 UNP 227 K +ATOM 1852 C CB . LYS A 1 227 ? 22.500 14.148 0.818 1.0 94.27 ? 227 LYS A CB 1 O49373 UNP 227 K +ATOM 1853 O O . LYS A 1 227 ? 22.196 16.165 3.393 1.0 94.27 ? 227 LYS A O 1 O49373 UNP 227 K +ATOM 1854 C CG . LYS A 1 227 ? 22.182 12.673 0.505 1.0 94.27 ? 227 LYS A CG 1 O49373 UNP 227 K +ATOM 1855 C CD . LYS A 1 227 ? 22.054 11.784 1.759 1.0 94.27 ? 227 LYS A CD 1 O49373 UNP 227 K +ATOM 1856 C CE . LYS A 1 227 ? 21.990 10.296 1.364 1.0 94.27 ? 227 LYS A CE 1 O49373 UNP 227 K +ATOM 1857 N NZ . LYS A 1 227 ? 21.427 9.407 2.422 1.0 94.27 ? 227 LYS A NZ 1 O49373 UNP 227 K +ATOM 1858 N N . LEU A 1 228 ? 22.011 17.292 1.459 1.0 94.02 ? 228 LEU A N 1 O49373 UNP 228 L +ATOM 1859 C CA . LEU A 1 228 ? 22.386 18.595 2.016 1.0 94.02 ? 228 LEU A CA 1 O49373 UNP 228 L +ATOM 1860 C C . LEU A 1 228 ? 21.335 19.110 3.013 1.0 94.02 ? 228 LEU A C 1 O49373 UNP 228 L +ATOM 1861 C CB . LEU A 1 228 ? 22.612 19.582 0.854 1.0 94.02 ? 228 LEU A CB 1 O49373 UNP 228 L +ATOM 1862 O O . LEU A 1 228 ? 21.694 19.578 4.087 1.0 94.02 ? 228 LEU A O 1 O49373 UNP 228 L +ATOM 1863 C CG . LEU A 1 228 ? 23.048 20.992 1.288 1.0 94.02 ? 228 LEU A CG 1 O49373 UNP 228 L +ATOM 1864 C CD1 . LEU A 1 228 ? 24.444 20.977 1.907 1.0 94.02 ? 228 LEU A CD1 1 O49373 UNP 228 L +ATOM 1865 C CD2 . LEU A 1 228 ? 23.071 21.921 0.075 1.0 94.02 ? 228 LEU A CD2 1 O49373 UNP 228 L +ATOM 1866 N N . GLN A 1 229 ? 20.043 18.988 2.690 1.0 94.43 ? 229 GLN A N 1 O49373 UNP 229 Q +ATOM 1867 C CA . GLN A 1 229 ? 18.949 19.353 3.602 1.0 94.43 ? 229 GLN A CA 1 O49373 UNP 229 Q +ATOM 1868 C C . GLN A 1 229 ? 18.969 18.528 4.890 1.0 94.43 ? 229 GLN A C 1 O49373 UNP 229 Q +ATOM 1869 C CB . GLN A 1 229 ? 17.591 19.190 2.900 1.0 94.43 ? 229 GLN A CB 1 O49373 UNP 229 Q +ATOM 1870 O O . GLN A 1 229 ? 18.747 19.086 5.961 1.0 94.43 ? 229 GLN A O 1 O49373 UNP 229 Q +ATOM 1871 C CG . GLN A 1 229 ? 17.345 20.333 1.915 1.0 94.43 ? 229 GLN A CG 1 O49373 UNP 229 Q +ATOM 1872 C CD . GLN A 1 229 ? 16.002 20.275 1.191 1.0 94.43 ? 229 GLN A CD 1 O49373 UNP 229 Q +ATOM 1873 N NE2 . GLN A 1 229 ? 15.487 21.429 0.821 1.0 94.43 ? 229 GLN A NE2 1 O49373 UNP 229 Q +ATOM 1874 O OE1 . GLN A 1 229 ? 15.388 19.253 0.900 1.0 94.43 ? 229 GLN A OE1 1 O49373 UNP 229 Q +ATOM 1875 N N . ASN A 1 230 ? 19.279 17.235 4.789 1.0 92.92 ? 230 ASN A N 1 O49373 UNP 230 N +ATOM 1876 C CA . ASN A 1 230 ? 19.449 16.365 5.944 1.0 92.92 ? 230 ASN A CA 1 O49373 UNP 230 N +ATOM 1877 C C . ASN A 1 230 ? 20.635 16.801 6.812 1.0 92.92 ? 230 ASN A C 1 O49373 UNP 230 N +ATOM 1878 C CB . ASN A 1 230 ? 19.605 14.920 5.447 1.0 92.92 ? 230 ASN A CB 1 O49373 UNP 230 N +ATOM 1879 O O . ASN A 1 230 ? 20.494 16.938 8.019 1.0 92.92 ? 230 ASN A O 1 O49373 UNP 230 N +ATOM 1880 C CG . ASN A 1 230 ? 19.508 13.954 6.608 1.0 92.92 ? 230 ASN A CG 1 O49373 UNP 230 N +ATOM 1881 N ND2 . ASN A 1 230 ? 20.473 13.088 6.806 1.0 92.92 ? 230 ASN A ND2 1 O49373 UNP 230 N +ATOM 1882 O OD1 . ASN A 1 230 ? 18.557 13.974 7.356 1.0 92.92 ? 230 ASN A OD1 1 O49373 UNP 230 N +ATOM 1883 N N . TRP A 1 231 ? 21.785 17.095 6.196 1.0 93.17 ? 231 TRP A N 1 O49373 UNP 231 W +ATOM 1884 C CA . TRP A 1 231 ? 22.981 17.544 6.915 1.0 93.17 ? 231 TRP A CA 1 O49373 UNP 231 W +ATOM 1885 C C . TRP A 1 231 ? 22.783 18.882 7.643 1.0 93.17 ? 231 TRP A C 1 O49373 UNP 231 W +ATOM 1886 C CB . TRP A 1 231 ? 24.149 17.622 5.928 1.0 93.17 ? 231 TRP A CB 1 O49373 UNP 231 W +ATOM 1887 O O . TRP A 1 231 ? 23.246 19.041 8.767 1.0 93.17 ? 231 TRP A O 1 O49373 UNP 231 W +ATOM 1888 C CG . TRP A 1 231 ? 25.434 18.100 6.526 1.0 93.17 ? 231 TRP A CG 1 O49373 UNP 231 W +ATOM 1889 C CD1 . TRP A 1 231 ? 26.148 17.453 7.474 1.0 93.17 ? 231 TRP A CD1 1 O49373 UNP 231 W +ATOM 1890 C CD2 . TRP A 1 231 ? 26.139 19.358 6.288 1.0 93.17 ? 231 TRP A CD2 1 O49373 UNP 231 W +ATOM 1891 C CE2 . TRP A 1 231 ? 27.298 19.391 7.119 1.0 93.17 ? 231 TRP A CE2 1 O49373 UNP 231 W +ATOM 1892 C CE3 . TRP A 1 231 ? 25.908 20.482 5.469 1.0 93.17 ? 231 TRP A CE3 1 O49373 UNP 231 W +ATOM 1893 N NE1 . TRP A 1 231 ? 27.251 18.207 7.822 1.0 93.17 ? 231 TRP A NE1 1 O49373 UNP 231 W +ATOM 1894 C CH2 . TRP A 1 231 ? 27.937 21.569 6.281 1.0 93.17 ? 231 TRP A CH2 1 O49373 UNP 231 W +ATOM 1895 C CZ2 . TRP A 1 231 ? 28.190 20.472 7.122 1.0 93.17 ? 231 TRP A CZ2 1 O49373 UNP 231 W +ATOM 1896 C CZ3 . TRP A 1 231 ? 26.796 21.574 5.459 1.0 93.17 ? 231 TRP A CZ3 1 O49373 UNP 231 W +ATOM 1897 N N . ILE A 1 232 ? 22.062 19.827 7.031 1.0 94.35 ? 232 ILE A N 1 O49373 UNP 232 I +ATOM 1898 C CA . ILE A 1 232 ? 21.729 21.125 7.646 1.0 94.35 ? 232 ILE A CA 1 O49373 UNP 232 I +ATOM 1899 C C . ILE A 1 232 ? 20.584 20.990 8.673 1.0 94.35 ? 232 ILE A C 1 O49373 UNP 232 I +ATOM 1900 C CB . ILE A 1 232 ? 21.423 22.165 6.533 1.0 94.35 ? 232 ILE A CB 1 O49373 UNP 232 I +ATOM 1901 O O . ILE A 1 232 ? 20.384 21.881 9.495 1.0 94.35 ? 232 ILE A O 1 O49373 UNP 232 I +ATOM 1902 C CG1 . ILE A 1 232 ? 22.664 22.374 5.631 1.0 94.35 ? 232 ILE A CG1 1 O49373 UNP 232 I +ATOM 1903 C CG2 . ILE A 1 232 ? 20.979 23.530 7.098 1.0 94.35 ? 232 ILE A CG2 1 O49373 UNP 232 I +ATOM 1904 C CD1 . ILE A 1 232 ? 22.395 23.192 4.360 1.0 94.35 ? 232 ILE A CD1 1 O49373 UNP 232 I +ATOM 1905 N N . GLY A 1 233 ? 19.814 19.898 8.639 1.0 92.60 ? 233 GLY A N 1 O49373 UNP 233 G +ATOM 1906 C CA . GLY A 1 233 ? 18.633 19.718 9.485 1.0 92.60 ? 233 GLY A CA 1 O49373 UNP 233 G +ATOM 1907 C C . GLY A 1 233 ? 17.478 20.641 9.088 1.0 92.60 ? 233 GLY A C 1 O49373 UNP 233 G +ATOM 1908 O O . GLY A 1 233 ? 16.863 21.275 9.944 1.0 92.60 ? 233 GLY A O 1 O49373 UNP 233 G +ATOM 1909 N N . PHE A 1 234 ? 17.175 20.745 7.789 1.0 91.33 ? 234 PHE A N 1 O49373 UNP 234 F +ATOM 1910 C CA . PHE A 1 234 ? 16.171 21.676 7.264 1.0 91.33 ? 234 PHE A CA 1 O49373 UNP 234 F +ATOM 1911 C C . PHE A 1 234 ? 15.041 21.000 6.471 1.0 91.33 ? 234 PHE A C 1 O49373 UNP 234 F +ATOM 1912 C CB . PHE A 1 234 ? 16.863 22.768 6.437 1.0 91.33 ? 234 PHE A CB 1 O49373 UNP 234 F +ATOM 1913 O O . PHE A 1 234 ? 15.252 20.090 5.666 1.0 91.33 ? 234 PHE A O 1 O49373 UNP 234 F +ATOM 1914 C CG . PHE A 1 234 ? 15.900 23.807 5.890 1.0 91.33 ? 234 PHE A CG 1 O49373 UNP 234 F +ATOM 1915 C CD1 . PHE A 1 234 ? 15.454 23.728 4.556 1.0 91.33 ? 234 PHE A CD1 1 O49373 UNP 234 F +ATOM 1916 C CD2 . PHE A 1 234 ? 15.409 24.825 6.730 1.0 91.33 ? 234 PHE A CD2 1 O49373 UNP 234 F +ATOM 1917 C CE1 . PHE A 1 234 ? 14.530 24.667 4.062 1.0 91.33 ? 234 PHE A CE1 1 O49373 UNP 234 F +ATOM 1918 C CE2 . PHE A 1 234 ? 14.483 25.761 6.237 1.0 91.33 ? 234 PHE A CE2 1 O49373 UNP 234 F +ATOM 1919 C CZ . PHE A 1 234 ? 14.046 25.685 4.903 1.0 91.33 ? 234 PHE A CZ 1 O49373 UNP 234 F +ATOM 1920 N N . GLY A 1 235 ? 13.824 21.531 6.629 1.0 90.45 ? 235 GLY A N 1 O49373 UNP 235 G +ATOM 1921 C CA . GLY A 1 235 ? 12.650 21.139 5.850 1.0 90.45 ? 235 GLY A CA 1 O49373 UNP 235 G +ATOM 1922 C C . GLY A 1 235 ? 12.200 19.703 6.126 1.0 90.45 ? 235 GLY A C 1 O49373 UNP 235 G +ATOM 1923 O O . GLY A 1 235 ? 12.256 19.233 7.257 1.0 90.45 ? 235 GLY A O 1 O49373 UNP 235 G +ATOM 1924 N N . GLN A 1 236 ? 11.753 19.004 5.080 1.0 91.11 ? 236 GLN A N 1 O49373 UNP 236 Q +ATOM 1925 C CA . GLN A 1 236 ? 11.223 17.636 5.193 1.0 91.11 ? 236 GLN A CA 1 O49373 UNP 236 Q +ATOM 1926 C C . GLN A 1 236 ? 12.248 16.627 5.743 1.0 91.11 ? 236 GLN A C 1 O49373 UNP 236 Q +ATOM 1927 C CB . GLN A 1 236 ? 10.686 17.179 3.819 1.0 91.11 ? 236 GLN A CB 1 O49373 UNP 236 Q +ATOM 1928 O O . GLN A 1 236 ? 11.875 15.685 6.428 1.0 91.11 ? 236 GLN A O 1 O49373 UNP 236 Q +ATOM 1929 C CG . GLN A 1 236 ? 9.436 17.950 3.334 1.0 91.11 ? 236 GLN A CG 1 O49373 UNP 236 Q +ATOM 1930 C CD . GLN A 1 236 ? 8.201 17.734 4.213 1.0 91.11 ? 236 GLN A CD 1 O49373 UNP 236 Q +ATOM 1931 N NE2 . GLN A 1 236 ? 7.089 18.377 3.952 1.0 91.11 ? 236 GLN A NE2 1 O49373 UNP 236 Q +ATOM 1932 O OE1 . GLN A 1 236 ? 8.214 16.987 5.164 1.0 91.11 ? 236 GLN A OE1 1 O49373 UNP 236 Q +ATOM 1933 N N . GLU A 1 237 ? 13.546 16.839 5.513 1.0 94.54 ? 237 GLU A N 1 O49373 UNP 237 E +ATOM 1934 C CA . GLU A 1 237 ? 14.588 15.929 6.015 1.0 94.54 ? 237 GLU A CA 1 O49373 UNP 237 E +ATOM 1935 C C . GLU A 1 237 ? 14.795 16.050 7.533 1.0 94.54 ? 237 GLU A C 1 O49373 UNP 237 E +ATOM 1936 C CB . GLU A 1 237 ? 15.898 16.194 5.270 1.0 94.54 ? 237 GLU A CB 1 O49373 UNP 237 E +ATOM 1937 O O . GLU A 1 237 ? 15.106 15.060 8.196 1.0 94.54 ? 237 GLU A O 1 O49373 UNP 237 E +ATOM 1938 C CG . GLU A 1 237 ? 15.799 15.960 3.754 1.0 94.54 ? 237 GLU A CG 1 O49373 UNP 237 E +ATOM 1939 C CD . GLU A 1 237 ? 15.525 14.500 3.354 1.0 94.54 ? 237 GLU A CD 1 O49373 UNP 237 E +ATOM 1940 O OE1 . GLU A 1 237 ? 14.801 14.290 2.354 1.0 94.54 ? 237 GLU A OE1 1 O49373 UNP 237 E +ATOM 1941 O OE2 . GLU A 1 237 ? 16.067 13.571 3.987 1.0 94.54 ? 237 GLU A OE2 1 O49373 UNP 237 E +ATOM 1942 N N . LYS A 1 238 ? 14.538 17.232 8.115 1.0 95.49 ? 238 LYS A N 1 O49373 UNP 238 K +ATOM 1943 C CA . LYS A 1 238 ? 14.496 17.393 9.575 1.0 95.49 ? 238 LYS A CA 1 O49373 UNP 238 K +ATOM 1944 C C . LYS A 1 238 ? 13.398 16.520 10.181 1.0 95.49 ? 238 LYS A C 1 O49373 UNP 238 K +ATOM 1945 C CB . LYS A 1 238 ? 14.296 18.868 9.950 1.0 95.49 ? 238 LYS A CB 1 O49373 UNP 238 K +ATOM 1946 O O . LYS A 1 238 ? 13.663 15.776 11.119 1.0 95.49 ? 238 LYS A O 1 O49373 UNP 238 K +ATOM 1947 C CG . LYS A 1 238 ? 14.305 19.046 11.474 1.0 95.49 ? 238 LYS A CG 1 O49373 UNP 238 K +ATOM 1948 C CD . LYS A 1 238 ? 14.154 20.509 11.899 1.0 95.49 ? 238 LYS A CD 1 O49373 UNP 238 K +ATOM 1949 C CE . LYS A 1 238 ? 13.902 20.500 13.405 1.0 95.49 ? 238 LYS A CE 1 O49373 UNP 238 K +ATOM 1950 N NZ . LYS A 1 238 ? 13.881 21.849 14.005 1.0 95.49 ? 238 LYS A NZ 1 O49373 UNP 238 K +ATOM 1951 N N . LYS A 1 239 ? 12.196 16.566 9.600 1.0 95.45 ? 239 LYS A N 1 O49373 UNP 239 K +ATOM 1952 C CA . LYS A 1 239 ? 11.072 15.743 10.053 1.0 95.45 ? 239 LYS A CA 1 O49373 UNP 239 K +ATOM 1953 C C . LYS A 1 239 ? 11.369 14.248 9.941 1.0 95.45 ? 239 LYS A C 1 O49373 UNP 239 K +ATOM 1954 C CB . LYS A 1 239 ? 9.824 16.030 9.235 1.0 95.45 ? 239 LYS A CB 1 O49373 UNP 239 K +ATOM 1955 O O . LYS A 1 239 ? 11.061 13.504 10.858 1.0 95.45 ? 239 LYS A O 1 O49373 UNP 239 K +ATOM 1956 C CG . LYS A 1 239 ? 9.284 17.471 9.288 1.0 95.45 ? 239 LYS A CG 1 O49373 UNP 239 K +ATOM 1957 C CD . LYS A 1 239 ? 7.924 17.326 8.614 1.0 95.45 ? 239 LYS A CD 1 O49373 UNP 239 K +ATOM 1958 C CE . LYS A 1 239 ? 6.992 18.507 8.434 1.0 95.45 ? 239 LYS A CE 1 O49373 UNP 239 K +ATOM 1959 N NZ . LYS A 1 239 ? 5.756 17.918 7.854 1.0 95.45 ? 239 LYS A NZ 1 O49373 UNP 239 K +ATOM 1960 N N . LEU A 1 240 ? 12.017 13.812 8.856 1.0 95.44 ? 240 LEU A N 1 O49373 UNP 240 L +ATOM 1961 C CA . LEU A 1 240 ? 12.453 12.418 8.701 1.0 95.44 ? 240 LEU A CA 1 O49373 UNP 240 L +ATOM 1962 C C . LEU A 1 240 ? 13.451 11.996 9.787 1.0 95.44 ? 240 LEU A C 1 O49373 UNP 240 L +ATOM 1963 C CB . LEU A 1 240 ? 13.083 12.212 7.312 1.0 95.44 ? 240 LEU A CB 1 O49373 UNP 240 L +ATOM 1964 O O . LEU A 1 240 ? 13.364 10.881 10.296 1.0 95.44 ? 240 LEU A O 1 O49373 UNP 240 L +ATOM 1965 C CG . LEU A 1 240 ? 12.090 12.223 6.141 1.0 95.44 ? 240 LEU A CG 1 O49373 UNP 240 L +ATOM 1966 C CD1 . LEU A 1 240 ? 12.845 12.050 4.826 1.0 95.44 ? 240 LEU A CD1 1 O49373 UNP 240 L +ATOM 1967 C CD2 . LEU A 1 240 ? 11.104 11.069 6.242 1.0 95.44 ? 240 LEU A CD2 1 O49373 UNP 240 L +ATOM 1968 N N . THR A 1 241 ? 14.370 12.886 10.165 1.0 95.93 ? 241 THR A N 1 O49373 UNP 241 T +ATOM 1969 C CA . THR A 1 241 ? 15.326 12.635 11.253 1.0 95.93 ? 241 THR A CA 1 O49373 UNP 241 T +ATOM 1970 C C . THR A 1 241 ? 14.614 12.505 12.604 1.0 95.93 ? 241 THR A C 1 O49373 UNP 241 T +ATOM 1971 C CB . THR A 1 241 ? 16.388 13.743 11.304 1.0 95.93 ? 241 THR A CB 1 O49373 UNP 241 T +ATOM 1972 O O . THR A 1 241 ? 14.879 11.564 13.351 1.0 95.93 ? 241 THR A O 1 O49373 UNP 241 T +ATOM 1973 C CG2 . THR A 1 241 ? 17.430 13.504 12.396 1.0 95.93 ? 241 THR A CG2 1 O49373 UNP 241 T +ATOM 1974 O OG1 . THR A 1 241 ? 17.097 13.795 10.089 1.0 95.93 ? 241 THR A OG1 1 O49373 UNP 241 T +ATOM 1975 N N . GLU A 1 242 ? 13.672 13.405 12.900 1.0 96.46 ? 242 GLU A N 1 O49373 UNP 242 E +ATOM 1976 C CA . GLU A 1 242 ? 12.844 13.362 14.116 1.0 96.46 ? 242 GLU A CA 1 O49373 UNP 242 E +ATOM 1977 C C . GLU A 1 242 ? 11.952 12.109 14.154 1.0 96.46 ? 242 GLU A C 1 O49373 UNP 242 E +ATOM 1978 C CB . GLU A 1 242 ? 11.994 14.646 14.203 1.0 96.46 ? 242 GLU A CB 1 O49373 UNP 242 E +ATOM 1979 O O . GLU A 1 242 ? 11.873 11.432 15.181 1.0 96.46 ? 242 GLU A O 1 O49373 UNP 242 E +ATOM 1980 C CG . GLU A 1 242 ? 12.847 15.896 14.503 1.0 96.46 ? 242 GLU A CG 1 O49373 UNP 242 E +ATOM 1981 C CD . GLU A 1 242 ? 12.085 17.233 14.407 1.0 96.46 ? 242 GLU A CD 1 O49373 UNP 242 E +ATOM 1982 O OE1 . GLU A 1 242 ? 12.683 18.267 14.800 1.0 96.46 ? 242 GLU A OE1 1 O49373 UNP 242 E +ATOM 1983 O OE2 . GLU A 1 242 ? 10.953 17.273 13.879 1.0 96.46 ? 242 GLU A OE2 1 O49373 UNP 242 E +ATOM 1984 N N . ALA A 1 243 ? 11.345 11.740 13.024 1.0 96.70 ? 243 ALA A N 1 O49373 UNP 243 A +ATOM 1985 C CA . ALA A 1 243 ? 10.553 10.524 12.880 1.0 96.70 ? 243 ALA A CA 1 O49373 UNP 243 A +ATOM 1986 C C . ALA A 1 243 ? 11.394 9.264 13.129 1.0 96.70 ? 243 ALA A C 1 O49373 UNP 243 A +ATOM 1987 C CB . ALA A 1 243 ? 9.925 10.512 11.481 1.0 96.70 ? 243 ALA A CB 1 O49373 UNP 243 A +ATOM 1988 O O . ALA A 1 243 ? 10.981 8.386 13.888 1.0 96.70 ? 243 ALA A O 1 O49373 UNP 243 A +ATOM 1989 N N . ASN A 1 244 ? 12.604 9.193 12.559 1.0 96.45 ? 244 ASN A N 1 O49373 UNP 244 N +ATOM 1990 C CA . ASN A 1 244 ? 13.507 8.068 12.787 1.0 96.45 ? 244 ASN A CA 1 O49373 UNP 244 N +ATOM 1991 C C . ASN A 1 244 ? 13.904 7.945 14.267 1.0 96.45 ? 244 ASN A C 1 O49373 UNP 244 N +ATOM 1992 C CB . ASN A 1 244 ? 14.729 8.182 11.862 1.0 96.45 ? 244 ASN A CB 1 O49373 UNP 244 N +ATOM 1993 O O . ASN A 1 244 ? 13.875 6.844 14.812 1.0 96.45 ? 244 ASN A O 1 O49373 UNP 244 N +ATOM 1994 C CG . ASN A 1 244 ? 15.548 6.907 11.936 1.0 96.45 ? 244 ASN A CG 1 O49373 UNP 244 N +ATOM 1995 N ND2 . ASN A 1 244 ? 16.641 6.909 12.660 1.0 96.45 ? 244 ASN A ND2 1 O49373 UNP 244 N +ATOM 1996 O OD1 . ASN A 1 244 ? 15.158 5.884 11.395 1.0 96.45 ? 244 ASN A OD1 1 O49373 UNP 244 N +ATOM 1997 N N . ALA A 1 245 ? 14.194 9.064 14.940 1.0 96.97 ? 245 ALA A N 1 O49373 UNP 245 A +ATOM 1998 C CA . ALA A 1 245 ? 14.495 9.070 16.373 1.0 96.97 ? 245 ALA A CA 1 O49373 UNP 245 A +ATOM 1999 C C . ALA A 1 245 ? 13.309 8.576 17.227 1.0 96.97 ? 245 ALA A C 1 O49373 UNP 245 A +ATOM 2000 C CB . ALA A 1 245 ? 14.923 10.487 16.772 1.0 96.97 ? 245 ALA A CB 1 O49373 UNP 245 A +ATOM 2001 O O . ALA A 1 245 ? 13.503 7.832 18.193 1.0 96.97 ? 245 ALA A O 1 O49373 UNP 245 A +ATOM 2002 N N . THR A 1 246 ? 12.075 8.939 16.860 1.0 97.21 ? 246 THR A N 1 O49373 UNP 246 T +ATOM 2003 C CA . THR A 1 246 ? 10.858 8.414 17.502 1.0 97.21 ? 246 THR A CA 1 O49373 UNP 246 T +ATOM 2004 C C . THR A 1 246 ? 10.739 6.904 17.319 1.0 97.21 ? 246 THR A C 1 O49373 UNP 246 T +ATOM 2005 C CB . THR A 1 246 ? 9.604 9.128 16.977 1.0 97.21 ? 246 THR A CB 1 O49373 UNP 246 T +ATOM 2006 O O . THR A 1 246 ? 10.508 6.193 18.299 1.0 97.21 ? 246 THR A O 1 O49373 UNP 246 T +ATOM 2007 C CG2 . THR A 1 246 ? 8.295 8.566 17.534 1.0 97.21 ? 246 THR A CG2 1 O49373 UNP 246 T +ATOM 2008 O OG1 . THR A 1 246 ? 9.671 10.469 17.397 1.0 97.21 ? 246 THR A OG1 1 O49373 UNP 246 T +ATOM 2009 N N . PHE A 1 247 ? 10.954 6.389 16.106 1.0 96.48 ? 247 PHE A N 1 O49373 UNP 247 F +ATOM 2010 C CA . PHE A 1 247 ? 10.927 4.946 15.864 1.0 96.48 ? 247 PHE A CA 1 O49373 UNP 247 F +ATOM 2011 C C . PHE A 1 247 ? 11.993 4.203 16.654 1.0 96.48 ? 247 PHE A C 1 O49373 UNP 247 F +ATOM 2012 C CB . PHE A 1 247 ? 11.098 4.638 14.379 1.0 96.48 ? 247 PHE A CB 1 O49373 UNP 247 F +ATOM 2013 O O . PHE A 1 247 ? 11.674 3.182 17.259 1.0 96.48 ? 247 PHE A O 1 O49373 UNP 247 F +ATOM 2014 C CG . PHE A 1 247 ? 10.018 5.179 13.476 1.0 96.48 ? 247 PHE A CG 1 O49373 UNP 247 F +ATOM 2015 C CD1 . PHE A 1 247 ? 8.682 5.308 13.909 1.0 96.48 ? 247 PHE A CD1 1 O49373 UNP 247 F +ATOM 2016 C CD2 . PHE A 1 247 ? 10.356 5.513 12.158 1.0 96.48 ? 247 PHE A CD2 1 O49373 UNP 247 F +ATOM 2017 C CE1 . PHE A 1 247 ? 7.693 5.782 13.035 1.0 96.48 ? 247 PHE A CE1 1 O49373 UNP 247 F +ATOM 2018 C CE2 . PHE A 1 247 ? 9.363 5.969 11.286 1.0 96.48 ? 247 PHE A CE2 1 O49373 UNP 247 F +ATOM 2019 C CZ . PHE A 1 247 ? 8.040 6.124 11.720 1.0 96.48 ? 247 PHE A CZ 1 O49373 UNP 247 F +ATOM 2020 N N . ASP A 1 248 ? 13.219 4.721 16.699 1.0 97.23 ? 248 ASP A N 1 O49373 UNP 248 D +ATOM 2021 C CA . ASP A 1 248 ? 14.315 4.104 17.443 1.0 97.23 ? 248 ASP A CA 1 O49373 UNP 248 D +ATOM 2022 C C . ASP A 1 248 ? 13.976 4.022 18.934 1.0 97.23 ? 248 ASP A C 1 O49373 UNP 248 D +ATOM 2023 C CB . ASP A 1 248 ? 15.622 4.877 17.191 1.0 97.23 ? 248 ASP A CB 1 O49373 UNP 248 D +ATOM 2024 O O . ASP A 1 248 ? 14.057 2.946 19.528 1.0 97.23 ? 248 ASP A O 1 O49373 UNP 248 D +ATOM 2025 C CG . ASP A 1 248 ? 16.122 4.766 15.743 1.0 97.23 ? 248 ASP A CG 1 O49373 UNP 248 D +ATOM 2026 O OD1 . ASP A 1 248 ? 15.607 3.895 14.999 1.0 97.23 ? 248 ASP A OD1 1 O49373 UNP 248 D +ATOM 2027 O OD2 . ASP A 1 248 ? 17.021 5.548 15.366 1.0 97.23 ? 248 ASP A OD2 1 O49373 UNP 248 D +ATOM 2028 N N . ARG A 1 249 ? 13.489 5.121 19.527 1.0 97.07 ? 249 ARG A N 1 O49373 UNP 249 R +ATOM 2029 C CA . ARG A 1 249 ? 13.075 5.158 20.938 1.0 97.07 ? 249 ARG A CA 1 O49373 UNP 249 R +ATOM 2030 C C . ARG A 1 249 ? 11.932 4.187 21.235 1.0 97.07 ? 249 ARG A C 1 O49373 UNP 249 R +ATOM 2031 C CB . ARG A 1 249 ? 12.704 6.600 21.318 1.0 97.07 ? 249 ARG A CB 1 O49373 UNP 249 R +ATOM 2032 O O . ARG A 1 249 ? 12.007 3.431 22.206 1.0 97.07 ? 249 ARG A O 1 O49373 UNP 249 R +ATOM 2033 C CG . ARG A 1 249 ? 12.195 6.699 22.769 1.0 97.07 ? 249 ARG A CG 1 O49373 UNP 249 R +ATOM 2034 C CD . ARG A 1 249 ? 11.917 8.139 23.213 1.0 97.07 ? 249 ARG A CD 1 O49373 UNP 249 R +ATOM 2035 N NE . ARG A 1 249 ? 10.983 8.827 22.308 1.0 97.07 ? 249 ARG A NE 1 O49373 UNP 249 R +ATOM 2036 N NH1 . ARG A 1 249 ? 8.904 8.273 23.205 1.0 97.07 ? 249 ARG A NH1 1 O49373 UNP 249 R +ATOM 2037 N NH2 . ARG A 1 249 ? 9.060 9.549 21.426 1.0 97.07 ? 249 ARG A NH2 1 O49373 UNP 249 R +ATOM 2038 C CZ . ARG A 1 249 ? 9.665 8.868 22.336 1.0 97.07 ? 249 ARG A CZ 1 O49373 UNP 249 R +ATOM 2039 N N . VAL A 1 250 ? 10.863 4.221 20.438 1.0 95.00 ? 250 VAL A N 1 O49373 UNP 250 V +ATOM 2040 C CA . VAL A 1 250 ? 9.676 3.387 20.676 1.0 95.00 ? 250 VAL A CA 1 O49373 UNP 250 V +ATOM 2041 C C . VAL A 1 250 ? 10.018 1.912 20.473 1.0 95.00 ? 250 VAL A C 1 O49373 UNP 250 V +ATOM 2042 C CB . VAL A 1 250 ? 8.484 3.839 19.809 1.0 95.00 ? 250 VAL A CB 1 O49373 UNP 250 V +ATOM 2043 O O . VAL A 1 250 ? 9.739 1.098 21.351 1.0 95.00 ? 250 VAL A O 1 O49373 UNP 250 V +ATOM 2044 C CG1 . VAL A 1 250 ? 7.295 2.877 19.942 1.0 95.00 ? 250 VAL A CG1 1 O49373 UNP 250 V +ATOM 2045 C CG2 . VAL A 1 250 ? 8.002 5.228 20.256 1.0 95.00 ? 250 VAL A CG2 1 O49373 UNP 250 V +ATOM 2046 N N . CYS A 1 251 ? 10.689 1.557 19.376 1.0 96.20 ? 251 CYS A N 1 O49373 UNP 251 C +ATOM 2047 C CA . CYS A 1 251 ? 11.076 0.175 19.100 1.0 96.20 ? 251 CYS A CA 1 O49373 UNP 251 C +ATOM 2048 C C . CYS A 1 251 ? 12.026 -0.371 20.172 1.0 96.20 ? 251 CYS A C 1 O49373 UNP 251 C +ATOM 2049 C CB . CYS A 1 251 ? 11.703 0.083 17.704 1.0 96.20 ? 251 CYS A CB 1 O49373 UNP 251 C +ATOM 2050 O O . CYS A 1 251 ? 11.785 -1.463 20.685 1.0 96.20 ? 251 CYS A O 1 O49373 UNP 251 C +ATOM 2051 S SG . CYS A 1 251 ? 10.446 0.404 16.434 1.0 96.20 ? 251 CYS A SG 1 O49373 UNP 251 C +ATOM 2052 N N . ALA A 1 252 ? 13.050 0.393 20.574 1.0 97.21 ? 252 ALA A N 1 O49373 UNP 252 A +ATOM 2053 C CA . ALA A 1 252 ? 13.993 -0.028 21.611 1.0 97.21 ? 252 ALA A CA 1 O49373 UNP 252 A +ATOM 2054 C C . ALA A 1 252 ? 13.295 -0.325 22.947 1.0 97.21 ? 252 ALA A C 1 O49373 UNP 252 A +ATOM 2055 C CB . ALA A 1 252 ? 15.061 1.057 21.783 1.0 97.21 ? 252 ALA A CB 1 O49373 UNP 252 A +ATOM 2056 O O . ALA A 1 252 ? 13.593 -1.335 23.589 1.0 97.21 ? 252 ALA A O 1 O49373 UNP 252 A +ATOM 2057 N N . LYS A 1 253 ? 12.314 0.501 23.341 1.0 96.28 ? 253 LYS A N 1 O49373 UNP 253 K +ATOM 2058 C CA . LYS A 1 253 ? 11.502 0.277 24.548 1.0 96.28 ? 253 LYS A CA 1 O49373 UNP 253 K +ATOM 2059 C C . LYS A 1 253 ? 10.813 -1.091 24.518 1.0 96.28 ? 253 LYS A C 1 O49373 UNP 253 K +ATOM 2060 C CB . LYS A 1 253 ? 10.490 1.426 24.694 1.0 96.28 ? 253 LYS A CB 1 O49373 UNP 253 K +ATOM 2061 O O . LYS A 1 253 ? 10.916 -1.843 25.487 1.0 96.28 ? 253 LYS A O 1 O49373 UNP 253 K +ATOM 2062 C CG . LYS A 1 253 ? 9.557 1.268 25.906 1.0 96.28 ? 253 LYS A CG 1 O49373 UNP 253 K +ATOM 2063 C CD . LYS A 1 253 ? 8.451 2.329 25.869 1.0 96.28 ? 253 LYS A CD 1 O49373 UNP 253 K +ATOM 2064 C CE . LYS A 1 253 ? 7.445 2.092 27.001 1.0 96.28 ? 253 LYS A CE 1 O49373 UNP 253 K +ATOM 2065 N NZ . LYS A 1 253 ? 6.272 2.995 26.879 1.0 96.28 ? 253 LYS A NZ 1 O49373 UNP 253 K +ATOM 2066 N N . TYR A 1 254 ? 10.118 -1.420 23.428 1.0 95.20 ? 254 TYR A N 1 O49373 UNP 254 Y +ATOM 2067 C CA . TYR A 1 254 ? 9.368 -2.678 23.325 1.0 95.20 ? 254 TYR A CA 1 O49373 UNP 254 Y +ATOM 2068 C C . TYR A 1 254 ? 10.270 -3.898 23.116 1.0 95.20 ? 254 TYR A C 1 O49373 UNP 254 Y +ATOM 2069 C CB . TYR A 1 254 ? 8.295 -2.570 22.235 1.0 95.20 ? 254 TYR A CB 1 O49373 UNP 254 Y +ATOM 2070 O O . TYR A 1 254 ? 9.990 -4.953 23.679 1.0 95.20 ? 254 TYR A O 1 O49373 UNP 254 Y +ATOM 2071 C CG . TYR A 1 254 ? 7.108 -1.733 22.671 1.0 95.20 ? 254 TYR A CG 1 O49373 UNP 254 Y +ATOM 2072 C CD1 . TYR A 1 254 ? 6.132 -2.290 23.520 1.0 95.20 ? 254 TYR A CD1 1 O49373 UNP 254 Y +ATOM 2073 C CD2 . TYR A 1 254 ? 6.988 -0.393 22.261 1.0 95.20 ? 254 TYR A CD2 1 O49373 UNP 254 Y +ATOM 2074 C CE1 . TYR A 1 254 ? 5.044 -1.507 23.953 1.0 95.20 ? 254 TYR A CE1 1 O49373 UNP 254 Y +ATOM 2075 C CE2 . TYR A 1 254 ? 5.911 0.396 22.705 1.0 95.20 ? 254 TYR A CE2 1 O49373 UNP 254 Y +ATOM 2076 O OH . TYR A 1 254 ? 3.867 0.593 23.923 1.0 95.20 ? 254 TYR A OH 1 O49373 UNP 254 Y +ATOM 2077 C CZ . TYR A 1 254 ? 4.924 -0.166 23.533 1.0 95.20 ? 254 TYR A CZ 1 O49373 UNP 254 Y +ATOM 2078 N N . ILE A 1 255 ? 11.378 -3.756 22.384 1.0 96.77 ? 255 ILE A N 1 O49373 UNP 255 I +ATOM 2079 C CA . ILE A 1 255 ? 12.384 -4.816 22.232 1.0 96.77 ? 255 ILE A CA 1 O49373 UNP 255 I +ATOM 2080 C C . ILE A 1 255 ? 12.993 -5.172 23.589 1.0 96.77 ? 255 ILE A C 1 O49373 UNP 255 I +ATOM 2081 C CB . ILE A 1 255 ? 13.459 -4.401 21.206 1.0 96.77 ? 255 ILE A CB 1 O49373 UNP 255 I +ATOM 2082 O O . ILE A 1 255 ? 13.002 -6.344 23.968 1.0 96.77 ? 255 ILE A O 1 O49373 UNP 255 I +ATOM 2083 C CG1 . ILE A 1 255 ? 12.853 -4.377 19.786 1.0 96.77 ? 255 ILE A CG1 1 O49373 UNP 255 I +ATOM 2084 C CG2 . ILE A 1 255 ? 14.651 -5.379 21.226 1.0 96.77 ? 255 ILE A CG2 1 O49373 UNP 255 I +ATOM 2085 C CD1 . ILE A 1 255 ? 13.704 -3.588 18.782 1.0 96.77 ? 255 ILE A CD1 1 O49373 UNP 255 I +ATOM 2086 N N . SER A 1 256 ? 13.440 -4.169 24.347 1.0 96.68 ? 256 SER A N 1 O49373 UNP 256 S +ATOM 2087 C CA . SER A 1 256 ? 14.019 -4.370 25.677 1.0 96.68 ? 256 SER A CA 1 O49373 UNP 256 S +ATOM 2088 C C . SER A 1 256 ? 13.016 -5.023 26.634 1.0 96.68 ? 256 SER A C 1 O49373 UNP 256 S +ATOM 2089 C CB . SER A 1 256 ? 14.518 -3.028 26.215 1.0 96.68 ? 256 SER A CB 1 O49373 UNP 256 S +ATOM 2090 O O . SER A 1 256 ? 13.306 -6.068 27.220 1.0 96.68 ? 256 SER A O 1 O49373 UNP 256 S +ATOM 2091 O OG . SER A 1 256 ? 15.089 -3.201 27.493 1.0 96.68 ? 256 SER A OG 1 O49373 UNP 256 S +ATOM 2092 N N . ALA A 1 257 ? 11.790 -4.488 26.708 1.0 94.95 ? 257 ALA A N 1 O49373 UNP 257 A +ATOM 2093 C CA . ALA A 1 257 ? 10.728 -5.060 27.535 1.0 94.95 ? 257 ALA A CA 1 O49373 UNP 257 A +ATOM 2094 C C . ALA A 1 257 ? 10.429 -6.523 27.169 1.0 94.95 ? 257 ALA A C 1 O49373 UNP 257 A +ATOM 2095 C CB . ALA A 1 257 ? 9.477 -4.183 27.398 1.0 94.95 ? 257 ALA A CB 1 O49373 UNP 257 A +ATOM 2096 O O . ALA A 1 257 ? 10.313 -7.370 28.058 1.0 94.95 ? 257 ALA A O 1 O49373 UNP 257 A +ATOM 2097 N N . LYS A 1 258 ? 10.371 -6.845 25.870 1.0 94.51 ? 258 LYS A N 1 O49373 UNP 258 K +ATOM 2098 C CA . LYS A 1 258 ? 10.094 -8.206 25.408 1.0 94.51 ? 258 LYS A CA 1 O49373 UNP 258 K +ATOM 2099 C C . LYS A 1 258 ? 11.239 -9.175 25.704 1.0 94.51 ? 258 LYS A C 1 O49373 UNP 258 K +ATOM 2100 C CB . LYS A 1 258 ? 9.742 -8.183 23.913 1.0 94.51 ? 258 LYS A CB 1 O49373 UNP 258 K +ATOM 2101 O O . LYS A 1 258 ? 10.986 -10.320 26.073 1.0 94.51 ? 258 LYS A O 1 O49373 UNP 258 K +ATOM 2102 C CG . LYS A 1 258 ? 9.281 -9.556 23.395 1.0 94.51 ? 258 LYS A CG 1 O49373 UNP 258 K +ATOM 2103 C CD . LYS A 1 258 ? 8.045 -10.123 24.102 1.0 94.51 ? 258 LYS A CD 1 O49373 UNP 258 K +ATOM 2104 C CE . LYS A 1 258 ? 6.800 -9.277 23.827 1.0 94.51 ? 258 LYS A CE 1 O49373 UNP 258 K +ATOM 2105 N NZ . LYS A 1 258 ? 5.595 -9.878 24.437 1.0 94.51 ? 258 LYS A NZ 1 O49373 UNP 258 K +ATOM 2106 N N . ARG A 1 259 ? 12.500 -8.741 25.591 1.0 93.65 ? 259 ARG A N 1 O49373 UNP 259 R +ATOM 2107 C CA . ARG A 1 259 ? 13.655 -9.567 25.987 1.0 93.65 ? 259 ARG A CA 1 O49373 UNP 259 R +ATOM 2108 C C . ARG A 1 259 ? 13.587 -9.931 27.470 1.0 93.65 ? 259 ARG A C 1 O49373 UNP 259 R +ATOM 2109 C CB . ARG A 1 259 ? 14.977 -8.851 25.669 1.0 93.65 ? 259 ARG A CB 1 O49373 UNP 259 R +ATOM 2110 O O . ARG A 1 259 ? 13.803 -11.092 27.812 1.0 93.65 ? 259 ARG A O 1 O49373 UNP 259 R +ATOM 2111 C CG . ARG A 1 259 ? 15.336 -8.852 24.173 1.0 93.65 ? 259 ARG A CG 1 O49373 UNP 259 R +ATOM 2112 C CD . ARG A 1 259 ? 16.735 -8.235 23.988 1.0 93.65 ? 259 ARG A CD 1 O49373 UNP 259 R +ATOM 2113 N NE . ARG A 1 259 ? 17.172 -8.153 22.582 1.0 93.65 ? 259 ARG A NE 1 O49373 UNP 259 R +ATOM 2114 N NH1 . ARG A 1 259 ? 17.457 -10.390 22.069 1.0 93.65 ? 259 ARG A NH1 1 O49373 UNP 259 R +ATOM 2115 N NH2 . ARG A 1 259 ? 17.891 -8.802 20.564 1.0 93.65 ? 259 ARG A NH2 1 O49373 UNP 259 R +ATOM 2116 C CZ . ARG A 1 259 ? 17.505 -9.124 21.755 1.0 93.65 ? 259 ARG A CZ 1 O49373 UNP 259 R +ATOM 2117 N N . GLU A 1 260 ? 13.254 -8.974 28.332 1.0 93.44 ? 260 GLU A N 1 O49373 UNP 260 E +ATOM 2118 C CA . GLU A 1 260 ? 13.115 -9.220 29.772 1.0 93.44 ? 260 GLU A CA 1 O49373 UNP 260 E +ATOM 2119 C C . GLU A 1 260 ? 11.924 -10.127 30.105 1.0 93.44 ? 260 GLU A C 1 O49373 UNP 260 E +ATOM 2120 C CB . GLU A 1 260 ? 13.031 -7.882 30.527 1.0 93.44 ? 260 GLU A CB 1 O49373 UNP 260 E +ATOM 2121 O O . GLU A 1 260 ? 12.057 -11.036 30.924 1.0 93.44 ? 260 GLU A O 1 O49373 UNP 260 E +ATOM 2122 C CG . GLU A 1 260 ? 14.352 -7.091 30.476 1.0 93.44 ? 260 GLU A CG 1 O49373 UNP 260 E +ATOM 2123 C CD . GLU A 1 260 ? 15.539 -7.944 30.950 1.0 93.44 ? 260 GLU A CD 1 O49373 UNP 260 E +ATOM 2124 O OE1 . GLU A 1 260 ? 16.502 -8.151 30.164 1.0 93.44 ? 260 GLU A OE1 1 O49373 UNP 260 E +ATOM 2125 O OE2 . GLU A 1 260 ? 15.438 -8.496 32.067 1.0 93.44 ? 260 GLU A OE2 1 O49373 UNP 260 E +ATOM 2126 N N . GLU A 1 261 ? 10.785 -9.952 29.431 1.0 91.64 ? 261 GLU A N 1 O49373 UNP 261 E +ATOM 2127 C CA . GLU A 1 261 ? 9.630 -10.853 29.540 1.0 91.64 ? 261 GLU A CA 1 O49373 UNP 261 E +ATOM 2128 C C . GLU A 1 261 ? 10.009 -12.298 29.180 1.0 91.64 ? 261 GLU A C 1 O49373 UNP 261 E +ATOM 2129 C CB . GLU A 1 261 ? 8.516 -10.331 28.621 1.0 91.64 ? 261 GLU A CB 1 O49373 UNP 261 E +ATOM 2130 O O . GLU A 1 261 ? 9.752 -13.224 29.954 1.0 91.64 ? 261 GLU A O 1 O49373 UNP 261 E +ATOM 2131 C CG . GLU A 1 261 ? 7.201 -11.123 28.704 1.0 91.64 ? 261 GLU A CG 1 O49373 UNP 261 E +ATOM 2132 C CD . GLU A 1 261 ? 6.262 -10.752 27.545 1.0 91.64 ? 261 GLU A CD 1 O49373 UNP 261 E +ATOM 2133 O OE1 . GLU A 1 261 ? 5.548 -11.635 27.028 1.0 91.64 ? 261 GLU A OE1 1 O49373 UNP 261 E +ATOM 2134 O OE2 . GLU A 1 261 ? 6.308 -9.598 27.063 1.0 91.64 ? 261 GLU A OE2 1 O49373 UNP 261 E +ATOM 2135 N N . ILE A 1 262 ? 10.694 -12.497 28.047 1.0 89.73 ? 262 ILE A N 1 O49373 UNP 262 I +ATOM 2136 C CA . ILE A 1 262 ? 11.116 -13.826 27.595 1.0 89.73 ? 262 ILE A CA 1 O49373 UNP 262 I +ATOM 2137 C C . ILE A 1 262 ? 12.086 -14.458 28.595 1.0 89.73 ? 262 ILE A C 1 O49373 UNP 262 I +ATOM 2138 C CB . ILE A 1 262 ? 11.689 -13.776 26.162 1.0 89.73 ? 262 ILE A CB 1 O49373 UNP 262 I +ATOM 2139 O O . ILE A 1 262 ? 11.883 -15.617 28.957 1.0 89.73 ? 262 ILE A O 1 O49373 UNP 262 I +ATOM 2140 C CG1 . ILE A 1 262 ? 10.539 -13.488 25.172 1.0 89.73 ? 262 ILE A CG1 1 O49373 UNP 262 I +ATOM 2141 C CG2 . ILE A 1 262 ? 12.389 -15.099 25.783 1.0 89.73 ? 262 ILE A CG2 1 O49373 UNP 262 I +ATOM 2142 C CD1 . ILE A 1 262 ? 11.019 -13.137 23.763 1.0 89.73 ? 262 ILE A CD1 1 O49373 UNP 262 I +ATOM 2143 N N . LYS A 1 263 ? 13.091 -13.718 29.085 1.0 89.38 ? 263 LYS A N 1 O49373 UNP 263 K +ATOM 2144 C CA . LYS A 1 263 ? 14.037 -14.213 30.103 1.0 89.38 ? 263 LYS A CA 1 O49373 UNP 263 K +ATOM 2145 C C . LYS A 1 263 ? 13.319 -14.670 31.374 1.0 89.38 ? 263 LYS A C 1 O49373 UNP 263 K +ATOM 2146 C CB . LYS A 1 263 ? 15.050 -13.122 30.467 1.0 89.38 ? 263 LYS A CB 1 O49373 UNP 263 K +ATOM 2147 O O . LYS A 1 263 ? 13.603 -15.755 31.868 1.0 89.38 ? 263 LYS A O 1 O49373 UNP 263 K +ATOM 2148 C CG . LYS A 1 263 ? 16.114 -12.864 29.390 1.0 89.38 ? 263 LYS A CG 1 O49373 UNP 263 K +ATOM 2149 C CD . LYS A 1 263 ? 16.929 -11.645 29.834 1.0 89.38 ? 263 LYS A CD 1 O49373 UNP 263 K +ATOM 2150 C CE . LYS A 1 263 ? 17.900 -11.133 28.773 1.0 89.38 ? 263 LYS A CE 1 O49373 UNP 263 K +ATOM 2151 N NZ . LYS A 1 263 ? 18.457 -9.832 29.223 1.0 89.38 ? 263 LYS A NZ 1 O49373 UNP 263 K +ATOM 2152 N N . ARG A 1 264 ? 12.355 -13.885 31.871 1.0 87.91 ? 264 ARG A N 1 O49373 UNP 264 R +ATOM 2153 C CA . ARG A 1 264 ? 11.550 -14.237 33.057 1.0 87.91 ? 264 ARG A CA 1 O49373 UNP 264 R +ATOM 2154 C C . ARG A 1 264 ? 10.676 -15.471 32.821 1.0 87.91 ? 264 ARG A C 1 O49373 UNP 264 R +ATOM 2155 C CB . ARG A 1 264 ? 10.684 -13.037 33.465 1.0 87.91 ? 264 ARG A CB 1 O49373 UNP 264 R +ATOM 2156 O O . ARG A 1 264 ? 10.482 -16.260 33.738 1.0 87.91 ? 264 ARG A O 1 O49373 UNP 264 R +ATOM 2157 C CG . ARG A 1 264 ? 11.519 -11.879 34.029 1.0 87.91 ? 264 ARG A CG 1 O49373 UNP 264 R +ATOM 2158 C CD . ARG A 1 264 ? 10.634 -10.642 34.199 1.0 87.91 ? 264 ARG A CD 1 O49373 UNP 264 R +ATOM 2159 N NE . ARG A 1 264 ? 11.432 -9.456 34.557 1.0 87.91 ? 264 ARG A NE 1 O49373 UNP 264 R +ATOM 2160 N NH1 . ARG A 1 264 ? 9.677 -8.020 34.915 1.0 87.91 ? 264 ARG A NH1 1 O49373 UNP 264 R +ATOM 2161 N NH2 . ARG A 1 264 ? 11.778 -7.283 35.118 1.0 87.91 ? 264 ARG A NH2 1 O49373 UNP 264 R +ATOM 2162 C CZ . ARG A 1 264 ? 10.959 -8.263 34.864 1.0 87.91 ? 264 ARG A CZ 1 O49373 UNP 264 R +ATOM 2163 N N . SER A 1 265 ? 10.178 -15.656 31.598 1.0 81.68 ? 265 SER A N 1 O49373 UNP 265 S +ATOM 2164 C CA . SER A 1 265 ? 9.316 -16.788 31.230 1.0 81.68 ? 265 SER A CA 1 O49373 UNP 265 S +ATOM 2165 C C . SER A 1 265 ? 10.051 -18.115 31.000 1.0 81.68 ? 265 SER A C 1 O49373 UNP 265 S +ATOM 2166 C CB . SER A 1 265 ? 8.476 -16.433 29.999 1.0 81.68 ? 265 SER A CB 1 O49373 UNP 265 S +ATOM 2167 O O . SER A 1 265 ? 9.395 -19.149 30.941 1.0 81.68 ? 265 SER A O 1 O49373 UNP 265 S +ATOM 2168 O OG . SER A 1 265 ? 9.265 -16.420 28.821 1.0 81.68 ? 265 SER A OG 1 O49373 UNP 265 S +ATOM 2169 N N . GLN A 1 266 ? 11.390 -18.136 30.895 1.0 68.62 ? 266 GLN A N 1 O49373 UNP 266 Q +ATOM 2170 C CA . GLN A 1 266 ? 12.148 -19.380 30.658 1.0 68.62 ? 266 GLN A CA 1 O49373 UNP 266 Q +ATOM 2171 C C . GLN A 1 266 ? 11.964 -20.438 31.769 1.0 68.62 ? 266 GLN A C 1 O49373 UNP 266 Q +ATOM 2172 C CB . GLN A 1 266 ? 13.643 -19.078 30.421 1.0 68.62 ? 266 GLN A CB 1 O49373 UNP 266 Q +ATOM 2173 O O . GLN A 1 266 ? 12.260 -21.606 31.533 1.0 68.62 ? 266 GLN A O 1 O49373 UNP 266 Q +ATOM 2174 C CG . GLN A 1 266 ? 13.914 -18.497 29.022 1.0 68.62 ? 266 GLN A CG 1 O49373 UNP 266 Q +ATOM 2175 C CD . GLN A 1 266 ? 15.397 -18.295 28.708 1.0 68.62 ? 266 GLN A CD 1 O49373 UNP 266 Q +ATOM 2176 N NE2 . GLN A 1 266 ? 15.735 -17.926 27.491 1.0 68.62 ? 266 GLN A NE2 1 O49373 UNP 266 Q +ATOM 2177 O OE1 . GLN A 1 266 ? 16.287 -18.453 29.521 1.0 68.62 ? 266 GLN A OE1 1 O49373 UNP 266 Q +ATOM 2178 N N . GLY A 1 267 ? 11.429 -20.066 32.940 1.0 55.23 ? 267 GLY A N 1 O49373 UNP 267 G +ATOM 2179 C CA . GLY A 1 267 ? 11.062 -20.992 34.019 1.0 55.23 ? 267 GLY A CA 1 O49373 UNP 267 G +ATOM 2180 C C . GLY A 1 267 ? 9.646 -21.585 33.941 1.0 55.23 ? 267 GLY A C 1 O49373 UNP 267 G +ATOM 2181 O O . GLY A 1 267 ? 9.335 -22.489 34.711 1.0 55.23 ? 267 GLY A O 1 O49373 UNP 267 G +ATOM 2182 N N . THR A 1 268 ? 8.785 -21.119 33.030 1.0 53.57 ? 268 THR A N 1 O49373 UNP 268 T +ATOM 2183 C CA . THR A 1 268 ? 7.372 -21.521 32.974 1.0 53.57 ? 268 THR A CA 1 O49373 UNP 268 T +ATOM 2184 C C . THR A 1 268 ? 7.028 -21.994 31.565 1.0 53.57 ? 268 THR A C 1 O49373 UNP 268 T +ATOM 2185 C CB . THR A 1 268 ? 6.420 -20.385 33.423 1.0 53.57 ? 268 THR A CB 1 O49373 UNP 268 T +ATOM 2186 O O . THR A 1 268 ? 6.951 -21.200 30.634 1.0 53.57 ? 268 THR A O 1 O49373 UNP 268 T +ATOM 2187 C CG2 . THR A 1 268 ? 5.265 -20.931 34.264 1.0 53.57 ? 268 THR A CG2 1 O49373 UNP 268 T +ATOM 2188 O OG1 . THR A 1 268 ? 7.060 -19.415 34.223 1.0 53.57 ? 268 THR A OG1 1 O49373 UNP 268 T +ATOM 2189 N N . SER A 1 269 ? 6.769 -23.291 31.388 1.0 46.53 ? 269 SER A N 1 O49373 UNP 269 S +ATOM 2190 C CA . SER A 1 269 ? 6.414 -23.913 30.096 1.0 46.53 ? 269 SER A CA 1 O49373 UNP 269 S +ATOM 2191 C C . SER A 1 269 ? 5.061 -23.465 29.510 1.0 46.53 ? 269 SER A C 1 O49373 UNP 269 S +ATOM 2192 C CB . SER A 1 269 ? 6.429 -25.442 30.238 1.0 46.53 ? 269 SER A CB 1 O49373 UNP 269 S +ATOM 2193 O O . SER A 1 269 ? 4.567 -24.073 28.562 1.0 46.53 ? 269 SER A O 1 O49373 UNP 269 S +ATOM 2194 O OG . SER A 1 269 ? 7.603 -25.874 30.903 1.0 46.53 ? 269 SER A OG 1 O49373 UNP 269 S +ATOM 2195 N N . ASN A 1 270 ? 4.443 -22.409 30.043 1.0 42.57 ? 270 ASN A N 1 O49373 UNP 270 N +ATOM 2196 C CA . ASN A 1 270 ? 3.115 -21.968 29.645 1.0 42.57 ? 270 ASN A CA 1 O49373 UNP 270 N +ATOM 2197 C C . ASN A 1 270 ? 3.191 -20.918 28.537 1.0 42.57 ? 270 ASN A C 1 O49373 UNP 270 N +ATOM 2198 C CB . ASN A 1 270 ? 2.330 -21.492 30.881 1.0 42.57 ? 270 ASN A CB 1 O49373 UNP 270 N +ATOM 2199 O O . ASN A 1 270 ? 3.557 -19.774 28.781 1.0 42.57 ? 270 ASN A O 1 O49373 UNP 270 N +ATOM 2200 C CG . ASN A 1 270 ? 1.757 -22.645 31.689 1.0 42.57 ? 270 ASN A CG 1 O49373 UNP 270 N +ATOM 2201 N ND2 . ASN A 1 270 ? 1.150 -22.364 32.816 1.0 42.57 ? 270 ASN A ND2 1 O49373 UNP 270 N +ATOM 2202 O OD1 . ASN A 1 270 ? 1.819 -23.803 31.320 1.0 42.57 ? 270 ASN A OD1 1 O49373 UNP 270 N +ATOM 2203 N N . GLY A 1 271 ? 2.798 -21.335 27.330 1.0 49.18 ? 271 GLY A N 1 O49373 UNP 271 G +ATOM 2204 C CA . GLY A 1 271 ? 2.238 -20.472 26.288 1.0 49.18 ? 271 GLY A CA 1 O49373 UNP 271 G +ATOM 2205 C C . GLY A 1 271 ? 3.066 -19.233 25.972 1.0 49.18 ? 271 GLY A C 1 O49373 UNP 271 G +ATOM 2206 O O . GLY A 1 271 ? 2.671 -18.125 26.320 1.0 49.18 ? 271 GLY A O 1 O49373 UNP 271 G +ATOM 2207 N N . GLY A 1 272 ? 4.203 -19.411 25.294 1.0 55.37 ? 272 GLY A N 1 O49373 UNP 272 G +ATOM 2208 C CA . GLY A 1 272 ? 4.961 -18.274 24.776 1.0 55.37 ? 272 GLY A CA 1 O49373 UNP 272 G +ATOM 2209 C C . GLY A 1 272 ? 4.045 -17.338 23.985 1.0 55.37 ? 272 GLY A C 1 O49373 UNP 272 G +ATOM 2210 O O . GLY A 1 272 ? 3.278 -17.806 23.143 1.0 55.37 ? 272 GLY A O 1 O49373 UNP 272 G +ATOM 2211 N N . SER A 1 273 ? 4.119 -16.038 24.282 1.0 67.70 ? 273 SER A N 1 O49373 UNP 273 S +ATOM 2212 C CA . SER A 1 273 ? 3.360 -15.003 23.580 1.0 67.70 ? 273 SER A CA 1 O49373 UNP 273 S +ATOM 2213 C C . SER A 1 273 ? 3.430 -15.209 22.062 1.0 67.70 ? 273 SER A C 1 O49373 UNP 273 S +ATOM 2214 C CB . SER A 1 273 ? 3.898 -13.625 23.965 1.0 67.70 ? 273 SER A CB 1 O49373 UNP 273 S +ATOM 2215 O O . SER A 1 273 ? 4.502 -15.448 21.504 1.0 67.70 ? 273 SER A O 1 O49373 UNP 273 S +ATOM 2216 O OG . SER A 1 273 ? 3.137 -12.640 23.308 1.0 67.70 ? 273 SER A OG 1 O49373 UNP 273 S +ATOM 2217 N N . GLN A 1 274 ? 2.273 -15.156 21.402 1.0 84.36 ? 274 GLN A N 1 O49373 UNP 274 Q +ATOM 2218 C CA . GLN A 1 274 ? 2.100 -15.482 19.979 1.0 84.36 ? 274 GLN A CA 1 O49373 UNP 274 Q +ATOM 2219 C C . GLN A 1 274 ? 2.466 -14.308 19.052 1.0 84.36 ? 274 GLN A C 1 O49373 UNP 274 Q +ATOM 2220 C CB . GLN A 1 274 ? 0.660 -15.985 19.753 1.0 84.36 ? 274 GLN A CB 1 O49373 UNP 274 Q +ATOM 2221 O O . GLN A 1 274 ? 2.216 -14.363 17.849 1.0 84.36 ? 274 GLN A O 1 O49373 UNP 274 Q +ATOM 2222 C CG . GLN A 1 274 ? 0.408 -17.332 20.453 1.0 84.36 ? 274 GLN A CG 1 O49373 UNP 274 Q +ATOM 2223 C CD . GLN A 1 274 ? -1.044 -17.805 20.401 1.0 84.36 ? 274 GLN A CD 1 O49373 UNP 274 Q +ATOM 2224 N NE2 . GLN A 1 274 ? -1.289 -19.093 20.482 1.0 84.36 ? 274 GLN A NE2 1 O49373 UNP 274 Q +ATOM 2225 O OE1 . GLN A 1 274 ? -2.001 -17.055 20.353 1.0 84.36 ? 274 GLN A OE1 1 O49373 UNP 274 Q +ATOM 2226 N N . ASP A 1 275 ? 3.046 -13.238 19.604 1.0 94.40 ? 275 ASP A N 1 O49373 UNP 275 D +ATOM 2227 C CA . ASP A 1 275 ? 3.448 -12.054 18.853 1.0 94.40 ? 275 ASP A CA 1 O49373 UNP 275 D +ATOM 2228 C C . ASP A 1 275 ? 4.698 -12.291 17.985 1.0 94.40 ? 275 ASP A C 1 O49373 UNP 275 D +ATOM 2229 C CB . ASP A 1 275 ? 3.582 -10.845 19.793 1.0 94.40 ? 275 ASP A CB 1 O49373 UNP 275 D +ATOM 2230 O O . ASP A 1 275 ? 5.529 -13.180 18.232 1.0 94.40 ? 275 ASP A O 1 O49373 UNP 275 D +ATOM 2231 C CG . ASP A 1 275 ? 4.822 -10.906 20.685 1.0 94.40 ? 275 ASP A CG 1 O49373 UNP 275 D +ATOM 2232 O OD1 . ASP A 1 275 ? 5.904 -10.482 20.246 1.0 94.40 ? 275 ASP A OD1 1 O49373 UNP 275 D +ATOM 2233 O OD2 . ASP A 1 275 ? 4.740 -11.395 21.833 1.0 94.40 ? 275 ASP A OD2 1 O49373 UNP 275 D +ATOM 2234 N N . LEU A 1 276 ? 4.830 -11.484 16.929 1.0 94.64 ? 276 LEU A N 1 O49373 UNP 276 L +ATOM 2235 C CA . LEU A 1 276 ? 5.927 -11.621 15.970 1.0 94.64 ? 276 LEU A CA 1 O49373 UNP 276 L +ATOM 2236 C C . LEU A 1 276 ? 7.290 -11.331 16.599 1.0 94.64 ? 276 LEU A C 1 O49373 UNP 276 L +ATOM 2237 C CB . LEU A 1 276 ? 5.711 -10.712 14.748 1.0 94.64 ? 276 LEU A CB 1 O49373 UNP 276 L +ATOM 2238 O O . LEU A 1 276 ? 8.251 -12.004 16.247 1.0 94.64 ? 276 LEU A O 1 O49373 UNP 276 L +ATOM 2239 C CG . LEU A 1 276 ? 4.499 -11.080 13.878 1.0 94.64 ? 276 LEU A CG 1 O49373 UNP 276 L +ATOM 2240 C CD1 . LEU A 1 276 ? 4.303 -10.035 12.779 1.0 94.64 ? 276 LEU A CD1 1 O49373 UNP 276 L +ATOM 2241 C CD2 . LEU A 1 276 ? 4.671 -12.442 13.199 1.0 94.64 ? 276 LEU A CD2 1 O49373 UNP 276 L +ATOM 2242 N N . LEU A 1 277 ? 7.399 -10.387 17.536 1.0 95.21 ? 277 LEU A N 1 O49373 UNP 277 L +ATOM 2243 C CA . LEU A 1 277 ? 8.662 -10.057 18.193 1.0 95.21 ? 277 LEU A CA 1 O49373 UNP 277 L +ATOM 2244 C C . LEU A 1 277 ? 9.153 -11.215 19.070 1.0 95.21 ? 277 LEU A C 1 O49373 UNP 277 L +ATOM 2245 C CB . LEU A 1 277 ? 8.488 -8.743 18.970 1.0 95.21 ? 277 LEU A CB 1 O49373 UNP 277 L +ATOM 2246 O O . LEU A 1 277 ? 10.336 -11.549 19.018 1.0 95.21 ? 277 LEU A O 1 O49373 UNP 277 L +ATOM 2247 C CG . LEU A 1 277 ? 9.719 -8.270 19.749 1.0 95.21 ? 277 LEU A CG 1 O49373 UNP 277 L +ATOM 2248 C CD1 . LEU A 1 277 ? 10.922 -7.985 18.852 1.0 95.21 ? 277 LEU A CD1 1 O49373 UNP 277 L +ATOM 2249 C CD2 . LEU A 1 277 ? 9.348 -6.996 20.509 1.0 95.21 ? 277 LEU A CD2 1 O49373 UNP 277 L +ATOM 2250 N N . THR A 1 278 ? 8.262 -11.896 19.797 1.0 94.10 ? 278 THR A N 1 O49373 UNP 278 T +ATOM 2251 C CA . THR A 1 278 ? 8.584 -13.148 20.501 1.0 94.10 ? 278 THR A CA 1 O49373 UNP 278 T +ATOM 2252 C C . THR A 1 278 ? 9.104 -14.201 19.529 1.0 94.10 ? 278 THR A C 1 O49373 UNP 278 T +ATOM 2253 C CB . THR A 1 278 ? 7.370 -13.711 21.260 1.0 94.10 ? 278 THR A CB 1 O49373 UNP 278 T +ATOM 2254 O O . THR A 1 278 ? 10.130 -14.837 19.784 1.0 94.10 ? 278 THR A O 1 O49373 UNP 278 T +ATOM 2255 C CG2 . THR A 1 278 ? 7.711 -15.009 22.000 1.0 94.10 ? 278 THR A CG2 1 O49373 UNP 278 T +ATOM 2256 O OG1 . THR A 1 278 ? 6.980 -12.810 22.259 1.0 94.10 ? 278 THR A OG1 1 O49373 UNP 278 T +ATOM 2257 N N . SER A 1 279 ? 8.428 -14.354 18.390 1.0 92.53 ? 279 SER A N 1 O49373 UNP 279 S +ATOM 2258 C CA . SER A 1 279 ? 8.815 -15.308 17.349 1.0 92.53 ? 279 SER A CA 1 O49373 UNP 279 S +ATOM 2259 C C . SER A 1 279 ? 10.155 -14.948 16.689 1.0 92.53 ? 279 SER A C 1 O49373 UNP 279 S +ATOM 2260 C CB . SER A 1 279 ? 7.708 -15.401 16.300 1.0 92.53 ? 279 SER A CB 1 O49373 UNP 279 S +ATOM 2261 O O . SER A 1 279 ? 10.952 -15.837 16.397 1.0 92.53 ? 279 SER A O 1 O49373 UNP 279 S +ATOM 2262 O OG . SER A 1 279 ? 6.472 -15.763 16.886 1.0 92.53 ? 279 SER A OG 1 O49373 UNP 279 S +ATOM 2263 N N . PHE A 1 280 ? 10.449 -13.656 16.506 1.0 92.69 ? 280 PHE A N 1 O49373 UNP 280 F +ATOM 2264 C CA . PHE A 1 280 ? 11.735 -13.169 16.001 1.0 92.69 ? 280 PHE A CA 1 O49373 UNP 280 F +ATOM 2265 C C . PHE A 1 280 ? 12.860 -13.403 17.001 1.0 92.69 ? 280 PHE A C 1 O49373 UNP 280 F +ATOM 2266 C CB . PHE A 1 280 ? 11.665 -11.673 15.647 1.0 92.69 ? 280 PHE A CB 1 O49373 UNP 280 F +ATOM 2267 O O . PHE A 1 280 ? 13.911 -13.894 16.611 1.0 92.69 ? 280 PHE A O 1 O49373 UNP 280 F +ATOM 2268 C CG . PHE A 1 280 ? 10.767 -11.264 14.493 1.0 92.69 ? 280 PHE A CG 1 O49373 UNP 280 F +ATOM 2269 C CD1 . PHE A 1 280 ? 10.256 -12.209 13.583 1.0 92.69 ? 280 PHE A CD1 1 O49373 UNP 280 F +ATOM 2270 C CD2 . PHE A 1 280 ? 10.435 -9.904 14.340 1.0 92.69 ? 280 PHE A CD2 1 O49373 UNP 280 F +ATOM 2271 C CE1 . PHE A 1 280 ? 9.379 -11.802 12.566 1.0 92.69 ? 280 PHE A CE1 1 O49373 UNP 280 F +ATOM 2272 C CE2 . PHE A 1 280 ? 9.575 -9.496 13.307 1.0 92.69 ? 280 PHE A CE2 1 O49373 UNP 280 F +ATOM 2273 C CZ . PHE A 1 280 ? 9.036 -10.452 12.435 1.0 92.69 ? 280 PHE A CZ 1 O49373 UNP 280 F +ATOM 2274 N N . ILE A 1 281 ? 12.653 -13.109 18.286 1.0 93.64 ? 281 ILE A N 1 O49373 UNP 281 I +ATOM 2275 C CA . ILE A 1 281 ? 13.677 -13.317 19.321 1.0 93.64 ? 281 ILE A CA 1 O49373 UNP 281 I +ATOM 2276 C C . ILE A 1 281 ? 14.016 -14.808 19.469 1.0 93.64 ? 281 ILE A C 1 O49373 UNP 281 I +ATOM 2277 C CB . ILE A 1 281 ? 13.219 -12.675 20.651 1.0 93.64 ? 281 ILE A CB 1 O49373 UNP 281 I +ATOM 2278 O O . ILE A 1 281 ? 15.173 -15.153 19.696 1.0 93.64 ? 281 ILE A O 1 O49373 UNP 281 I +ATOM 2279 C CG1 . ILE A 1 281 ? 13.255 -11.133 20.524 1.0 93.64 ? 281 ILE A CG1 1 O49373 UNP 281 I +ATOM 2280 C CG2 . ILE A 1 281 ? 14.114 -13.119 21.826 1.0 93.64 ? 281 ILE A CG2 1 O49373 UNP 281 I +ATOM 2281 C CD1 . ILE A 1 281 ? 12.507 -10.400 21.644 1.0 93.64 ? 281 ILE A CD1 1 O49373 UNP 281 I +ATOM 2282 N N . LYS A 1 282 ? 13.026 -15.695 19.309 1.0 91.23 ? 282 LYS A N 1 O49373 UNP 282 K +ATOM 2283 C CA . LYS A 1 282 ? 13.186 -17.159 19.388 1.0 91.23 ? 282 LYS A CA 1 O49373 UNP 282 K +ATOM 2284 C C . LYS A 1 282 ? 13.551 -17.817 18.052 1.0 91.23 ? 282 LYS A C 1 O49373 UNP 282 K +ATOM 2285 C CB . LYS A 1 282 ? 11.914 -17.775 19.990 1.0 91.23 ? 282 LYS A CB 1 O49373 UNP 282 K +ATOM 2286 O O . LYS A 1 282 ? 13.471 -19.038 17.927 1.0 91.23 ? 282 LYS A O 1 O49373 UNP 282 K +ATOM 2287 C CG . LYS A 1 282 ? 11.717 -17.369 21.455 1.0 91.23 ? 282 LYS A CG 1 O49373 UNP 282 K +ATOM 2288 C CD . LYS A 1 282 ? 10.440 -18.005 22.015 1.0 91.23 ? 282 LYS A CD 1 O49373 UNP 282 K +ATOM 2289 C CE . LYS A 1 282 ? 10.280 -17.619 23.488 1.0 91.23 ? 282 LYS A CE 1 O49373 UNP 282 K +ATOM 2290 N NZ . LYS A 1 282 ? 9.047 -18.197 24.079 1.0 91.23 ? 282 LYS A NZ 1 O49373 UNP 282 K +ATOM 2291 N N . LEU A 1 283 ? 13.904 -17.029 17.040 1.0 89.59 ? 283 LEU A N 1 O49373 UNP 283 L +ATOM 2292 C CA . LEU A 1 283 ? 14.151 -17.530 15.697 1.0 89.59 ? 283 LEU A CA 1 O49373 UNP 283 L +ATOM 2293 C C . LEU A 1 283 ? 15.377 -18.455 15.655 1.0 89.59 ? 283 LEU A C 1 O49373 UNP 283 L +ATOM 2294 C CB . LEU A 1 283 ? 14.246 -16.319 14.762 1.0 89.59 ? 283 LEU A CB 1 O49373 UNP 283 L +ATOM 2295 O O . LEU A 1 283 ? 16.458 -18.104 16.120 1.0 89.59 ? 283 LEU A O 1 O49373 UNP 283 L +ATOM 2296 C CG . LEU A 1 283 ? 14.400 -16.678 13.280 1.0 89.59 ? 283 LEU A CG 1 O49373 UNP 283 L +ATOM 2297 C CD1 . LEU A 1 283 ? 13.556 -15.740 12.413 1.0 89.59 ? 283 LEU A CD1 1 O49373 UNP 283 L +ATOM 2298 C CD2 . LEU A 1 283 ? 15.860 -16.552 12.854 1.0 89.59 ? 283 LEU A CD2 1 O49373 UNP 283 L +ATOM 2299 N N . ASP A 1 284 ? 15.209 -19.624 15.038 1.0 86.84 ? 284 ASP A N 1 O49373 UNP 284 D +ATOM 2300 C CA . ASP A 1 284 ? 16.292 -20.581 14.813 1.0 86.84 ? 284 ASP A CA 1 O49373 UNP 284 D +ATOM 2301 C C . ASP A 1 284 ? 17.259 -20.071 13.730 1.0 86.84 ? 284 ASP A C 1 O49373 UNP 284 D +ATOM 2302 C CB . ASP A 1 284 ? 15.692 -21.951 14.474 1.0 86.84 ? 284 ASP A CB 1 O49373 UNP 284 D +ATOM 2303 O O . ASP A 1 284 ? 16.991 -20.136 12.522 1.0 86.84 ? 284 ASP A O 1 O49373 UNP 284 D +ATOM 2304 C CG . ASP A 1 284 ? 16.748 -23.015 14.165 1.0 86.84 ? 284 ASP A CG 1 O49373 UNP 284 D +ATOM 2305 O OD1 . ASP A 1 284 ? 17.962 -22.744 14.328 1.0 86.84 ? 284 ASP A OD1 1 O49373 UNP 284 D +ATOM 2306 O OD2 . ASP A 1 284 ? 16.334 -24.079 13.666 1.0 86.84 ? 284 ASP A OD2 1 O49373 UNP 284 D +ATOM 2307 N N . THR A 1 285 ? 18.405 -19.561 14.174 1.0 88.70 ? 285 THR A N 1 O49373 UNP 285 T +ATOM 2308 C CA . THR A 1 285 ? 19.466 -19.027 13.312 1.0 88.70 ? 285 THR A CA 1 O49373 UNP 285 T +ATOM 2309 C C . THR A 1 285 ? 20.225 -20.117 12.556 1.0 88.70 ? 285 THR A C 1 O49373 UNP 285 T +ATOM 2310 C CB . THR A 1 285 ? 20.455 -18.182 14.124 1.0 88.70 ? 285 THR A CB 1 O49373 UNP 285 T +ATOM 2311 O O . THR A 1 285 ? 20.865 -19.819 11.550 1.0 88.70 ? 285 THR A O 1 O49373 UNP 285 T +ATOM 2312 C CG2 . THR A 1 285 ? 19.789 -16.944 14.720 1.0 88.70 ? 285 THR A CG2 1 O49373 UNP 285 T +ATOM 2313 O OG1 . THR A 1 285 ? 20.971 -18.938 15.196 1.0 88.70 ? 285 THR A OG1 1 O49373 UNP 285 T +ATOM 2314 N N . THR A 1 286 ? 20.114 -21.392 12.948 1.0 88.63 ? 286 THR A N 1 O49373 UNP 286 T +ATOM 2315 C CA . THR A 1 286 ? 20.704 -22.500 12.179 1.0 88.63 ? 286 THR A CA 1 O49373 UNP 286 T +ATOM 2316 C C . THR A 1 286 ? 19.937 -22.731 10.875 1.0 88.63 ? 286 THR A C 1 O49373 UNP 286 T +ATOM 2317 C CB . THR A 1 286 ? 20.787 -23.804 12.990 1.0 88.63 ? 286 THR A CB 1 O49373 UNP 286 T +ATOM 2318 O O . THR A 1 286 ? 20.538 -22.998 9.827 1.0 88.63 ? 286 THR A O 1 O49373 UNP 286 T +ATOM 2319 C CG2 . THR A 1 286 ? 21.389 -23.621 14.382 1.0 88.63 ? 286 THR A CG2 1 O49373 UNP 286 T +ATOM 2320 O OG1 . THR A 1 286 ? 19.539 -24.433 13.119 1.0 88.63 ? 286 THR A OG1 1 O49373 UNP 286 T +ATOM 2321 N N . LYS A 1 287 ? 18.611 -22.539 10.921 1.0 88.94 ? 287 LYS A N 1 O49373 UNP 287 K +ATOM 2322 C CA . LYS A 1 287 ? 17.698 -22.640 9.777 1.0 88.94 ? 287 LYS A CA 1 O49373 UNP 287 K +ATOM 2323 C C . LYS A 1 287 ? 17.713 -21.393 8.893 1.0 88.94 ? 287 LYS A C 1 O49373 UNP 287 K +ATOM 2324 C CB . LYS A 1 287 ? 16.299 -22.948 10.325 1.0 88.94 ? 287 LYS A CB 1 O49373 UNP 287 K +ATOM 2325 O O . LYS A 1 287 ? 17.649 -21.518 7.669 1.0 88.94 ? 287 LYS A O 1 O49373 UNP 287 K +ATOM 2326 C CG . LYS A 1 287 ? 15.272 -23.199 9.214 1.0 88.94 ? 287 LYS A CG 1 O49373 UNP 287 K +ATOM 2327 C CD . LYS A 1 287 ? 13.946 -23.646 9.833 1.0 88.94 ? 287 LYS A CD 1 O49373 UNP 287 K +ATOM 2328 C CE . LYS A 1 287 ? 12.904 -23.911 8.744 1.0 88.94 ? 287 LYS A CE 1 O49373 UNP 287 K +ATOM 2329 N NZ . LYS A 1 287 ? 11.661 -24.466 9.334 1.0 88.94 ? 287 LYS A NZ 1 O49373 UNP 287 K +ATOM 2330 N N . TYR A 1 288 ? 17.810 -20.202 9.484 1.0 90.54 ? 288 TYR A N 1 O49373 UNP 288 Y +ATOM 2331 C CA . TYR A 1 288 ? 17.821 -18.925 8.761 1.0 90.54 ? 288 TYR A CA 1 O49373 UNP 288 Y +ATOM 2332 C C . TYR A 1 288 ? 19.126 -18.157 9.010 1.0 90.54 ? 288 TYR A C 1 O49373 UNP 288 Y +ATOM 2333 C CB . TYR A 1 288 ? 16.588 -18.100 9.128 1.0 90.54 ? 288 TYR A CB 1 O49373 UNP 288 Y +ATOM 2334 O O . TYR A 1 288 ? 19.147 -17.131 9.688 1.0 90.54 ? 288 TYR A O 1 O49373 UNP 288 Y +ATOM 2335 C CG . TYR A 1 288 ? 15.251 -18.802 9.022 1.0 90.54 ? 288 TYR A CG 1 O49373 UNP 288 Y +ATOM 2336 C CD1 . TYR A 1 288 ? 14.705 -19.094 7.759 1.0 90.54 ? 288 TYR A CD1 1 O49373 UNP 288 Y +ATOM 2337 C CD2 . TYR A 1 288 ? 14.549 -19.150 10.192 1.0 90.54 ? 288 TYR A CD2 1 O49373 UNP 288 Y +ATOM 2338 C CE1 . TYR A 1 288 ? 13.460 -19.744 7.665 1.0 90.54 ? 288 TYR A CE1 1 O49373 UNP 288 Y +ATOM 2339 C CE2 . TYR A 1 288 ? 13.292 -19.774 10.104 1.0 90.54 ? 288 TYR A CE2 1 O49373 UNP 288 Y +ATOM 2340 O OH . TYR A 1 288 ? 11.543 -20.695 8.750 1.0 90.54 ? 288 TYR A OH 1 O49373 UNP 288 Y +ATOM 2341 C CZ . TYR A 1 288 ? 12.751 -20.078 8.838 1.0 90.54 ? 288 TYR A CZ 1 O49373 UNP 288 Y +ATOM 2342 N N . LYS A 1 289 ? 20.222 -18.666 8.438 1.0 87.72 ? 289 LYS A N 1 O49373 UNP 289 K +ATOM 2343 C CA . LYS A 1 289 ? 21.613 -18.271 8.742 1.0 87.72 ? 289 LYS A CA 1 O49373 UNP 289 K +ATOM 2344 C C . LYS A 1 289 ? 21.944 -16.785 8.587 1.0 87.72 ? 289 LYS A C 1 O49373 UNP 289 K +ATOM 2345 C CB . LYS A 1 289 ? 22.576 -19.089 7.867 1.0 87.72 ? 289 LYS A CB 1 O49373 UNP 289 K +ATOM 2346 O O . LYS A 1 289 ? 22.933 -16.331 9.145 1.0 87.72 ? 289 LYS A O 1 O49373 UNP 289 K +ATOM 2347 C CG . LYS A 1 289 ? 22.473 -20.599 8.122 1.0 87.72 ? 289 LYS A CG 1 O49373 UNP 289 K +ATOM 2348 C CD . LYS A 1 289 ? 23.530 -21.356 7.311 1.0 87.72 ? 289 LYS A CD 1 O49373 UNP 289 K +ATOM 2349 C CE . LYS A 1 289 ? 23.402 -22.854 7.597 1.0 87.72 ? 289 LYS A CE 1 O49373 UNP 289 K +ATOM 2350 N NZ . LYS A 1 289 ? 24.445 -23.641 6.892 1.0 87.72 ? 289 LYS A NZ 1 O49373 UNP 289 K +ATOM 2351 N N . LEU A 1 290 ? 21.165 -16.042 7.800 1.0 90.82 ? 290 LEU A N 1 O49373 UNP 290 L +ATOM 2352 C CA . LEU A 1 290 ? 21.391 -14.610 7.564 1.0 90.82 ? 290 LEU A CA 1 O49373 UNP 290 L +ATOM 2353 C C . LEU A 1 290 ? 20.596 -13.699 8.510 1.0 90.82 ? 290 LEU A C 1 O49373 UNP 290 L +ATOM 2354 C CB . LEU A 1 290 ? 21.104 -14.279 6.088 1.0 90.82 ? 290 LEU A CB 1 O49373 UNP 290 L +ATOM 2355 O O . LEU A 1 290 ? 20.692 -12.481 8.391 1.0 90.82 ? 290 LEU A O 1 O49373 UNP 290 L +ATOM 2356 C CG . LEU A 1 290 ? 22.008 -15.002 5.076 1.0 90.82 ? 290 LEU A CG 1 O49373 UNP 290 L +ATOM 2357 C CD1 . LEU A 1 290 ? 21.610 -14.567 3.667 1.0 90.82 ? 290 LEU A CD1 1 O49373 UNP 290 L +ATOM 2358 C CD2 . LEU A 1 290 ? 23.493 -14.693 5.272 1.0 90.82 ? 290 LEU A CD2 1 O49373 UNP 290 L +ATOM 2359 N N . LEU A 1 291 ? 19.779 -14.259 9.405 1.0 93.76 ? 291 LEU A N 1 O49373 UNP 291 L +ATOM 2360 C CA . LEU A 1 291 ? 18.970 -13.487 10.347 1.0 93.76 ? 291 LEU A CA 1 O49373 UNP 291 L +ATOM 2361 C C . LEU A 1 291 ? 19.686 -13.378 11.694 1.0 93.76 ? 291 LEU A C 1 O49373 UNP 291 L +ATOM 2362 C CB . LEU A 1 291 ? 17.565 -14.099 10.475 1.0 93.76 ? 291 LEU A CB 1 O49373 UNP 291 L +ATOM 2363 O O . LEU A 1 291 ? 20.225 -14.363 12.195 1.0 93.76 ? 291 LEU A O 1 O49373 UNP 291 L +ATOM 2364 C CG . LEU A 1 291 ? 16.825 -14.291 9.138 1.0 93.76 ? 291 LEU A CG 1 O49373 UNP 291 L +ATOM 2365 C CD1 . LEU A 1 291 ? 15.383 -14.740 9.379 1.0 93.76 ? 291 LEU A CD1 1 O49373 UNP 291 L +ATOM 2366 C CD2 . LEU A 1 291 ? 16.750 -13.026 8.284 1.0 93.76 ? 291 LEU A CD2 1 O49373 UNP 291 L +ATOM 2367 N N . ASN A 1 292 ? 19.663 -12.182 12.284 1.0 92.50 ? 292 ASN A N 1 O49373 UNP 292 N +ATOM 2368 C CA . ASN A 1 292 ? 20.386 -11.872 13.515 1.0 92.50 ? 292 ASN A CA 1 O49373 UNP 292 N +ATOM 2369 C C . ASN A 1 292 ? 19.429 -11.350 14.605 1.0 92.50 ? 292 ASN A C 1 O49373 UNP 292 N +ATOM 2370 C CB . ASN A 1 292 ? 21.528 -10.896 13.184 1.0 92.50 ? 292 ASN A CB 1 O49373 UNP 292 N +ATOM 2371 O O . ASN A 1 292 ? 19.368 -10.147 14.843 1.0 92.50 ? 292 ASN A O 1 O49373 UNP 292 N +ATOM 2372 C CG . ASN A 1 292 ? 22.433 -10.650 14.379 1.0 92.50 ? 292 ASN A CG 1 O49373 UNP 292 N +ATOM 2373 N ND2 . ASN A 1 292 ? 23.447 -9.838 14.221 1.0 92.50 ? 292 ASN A ND2 1 O49373 UNP 292 N +ATOM 2374 O OD1 . ASN A 1 292 ? 22.252 -11.187 15.462 1.0 92.50 ? 292 ASN A OD1 1 O49373 UNP 292 N +ATOM 2375 N N . PRO A 1 293 ? 18.672 -12.227 15.286 1.0 91.71 ? 293 PRO A N 1 O49373 UNP 293 P +ATOM 2376 C CA . PRO A 1 293 ? 17.724 -11.815 16.325 1.0 91.71 ? 293 PRO A CA 1 O49373 UNP 293 P +ATOM 2377 C C . PRO A 1 293 ? 18.393 -11.285 17.608 1.0 91.71 ? 293 PRO A C 1 O49373 UNP 293 P +ATOM 2378 C CB . PRO A 1 293 ? 16.888 -13.067 16.579 1.0 91.71 ? 293 PRO A CB 1 O49373 UNP 293 P +ATOM 2379 O O . PRO A 1 293 ? 17.717 -10.721 18.472 1.0 91.71 ? 293 PRO A O 1 O49373 UNP 293 P +ATOM 2380 C CG . PRO A 1 293 ? 17.854 -14.216 16.301 1.0 91.71 ? 293 PRO A CG 1 O49373 UNP 293 P +ATOM 2381 C CD . PRO A 1 293 ? 18.663 -13.675 15.125 1.0 91.71 ? 293 PRO A CD 1 O49373 UNP 293 P +ATOM 2382 N N . SER A 1 294 ? 19.711 -11.450 17.766 1.0 92.77 ? 294 SER A N 1 O49373 UNP 294 S +ATOM 2383 C CA . SER A 1 294 ? 20.485 -10.802 18.835 1.0 92.77 ? 294 SER A CA 1 O49373 UNP 294 S +ATOM 2384 C C . SER A 1 294 ? 20.764 -9.322 18.575 1.0 92.77 ? 294 SER A C 1 O49373 UNP 294 S +ATOM 2385 C CB . SER A 1 294 ? 21.809 -11.528 19.103 1.0 92.77 ? 294 SER A CB 1 O49373 UNP 294 S +ATOM 2386 O O . SER A 1 294 ? 21.015 -8.598 19.531 1.0 92.77 ? 294 SER A O 1 O49373 UNP 294 S +ATOM 2387 O OG . SER A 1 294 ? 22.400 -12.093 17.950 1.0 92.77 ? 294 SER A OG 1 O49373 UNP 294 S +ATOM 2388 N N . ASP A 1 295 ? 20.704 -8.870 17.322 1.0 95.21 ? 295 ASP A N 1 O49373 UNP 295 D +ATOM 2389 C CA . ASP A 1 295 ? 20.891 -7.464 16.971 1.0 95.21 ? 295 ASP A CA 1 O49373 UNP 295 D +ATOM 2390 C C . ASP A 1 295 ? 19.567 -6.698 17.094 1.0 95.21 ? 295 ASP A C 1 O49373 UNP 295 D +ATOM 2391 C CB . ASP A 1 295 ? 21.525 -7.373 15.578 1.0 95.21 ? 295 ASP A CB 1 O49373 UNP 295 D +ATOM 2392 O O . ASP A 1 295 ? 18.584 -6.973 16.400 1.0 95.21 ? 295 ASP A O 1 O49373 UNP 295 D +ATOM 2393 C CG . ASP A 1 295 ? 21.756 -5.945 15.080 1.0 95.21 ? 295 ASP A CG 1 O49373 UNP 295 D +ATOM 2394 O OD1 . ASP A 1 295 ? 21.569 -4.991 15.868 1.0 95.21 ? 295 ASP A OD1 1 O49373 UNP 295 D +ATOM 2395 O OD2 . ASP A 1 295 ? 22.097 -5.819 13.885 1.0 95.21 ? 295 ASP A OD2 1 O49373 UNP 295 D +ATOM 2396 N N . ASP A 1 296 ? 19.541 -5.710 17.985 1.0 95.71 ? 296 ASP A N 1 O49373 UNP 296 D +ATOM 2397 C CA . ASP A 1 296 ? 18.362 -4.878 18.210 1.0 95.71 ? 296 ASP A CA 1 O49373 UNP 296 D +ATOM 2398 C C . ASP A 1 296 ? 18.023 -4.019 16.987 1.0 95.71 ? 296 ASP A C 1 O49373 UNP 296 D +ATOM 2399 C CB . ASP A 1 296 ? 18.562 -4.014 19.462 1.0 95.71 ? 296 ASP A CB 1 O49373 UNP 296 D +ATOM 2400 O O . ASP A 1 296 ? 16.844 -3.743 16.763 1.0 95.71 ? 296 ASP A O 1 O49373 UNP 296 D +ATOM 2401 C CG . ASP A 1 296 ? 18.411 -4.789 20.781 1.0 95.71 ? 296 ASP A CG 1 O49373 UNP 296 D +ATOM 2402 O OD1 . ASP A 1 296 ? 18.057 -6.001 20.769 1.0 95.71 ? 296 ASP A OD1 1 O49373 UNP 296 D +ATOM 2403 O OD2 . ASP A 1 296 ? 18.600 -4.148 21.834 1.0 95.71 ? 296 ASP A OD2 1 O49373 UNP 296 D +ATOM 2404 N N . LYS A 1 297 ? 19.005 -3.668 16.142 1.0 96.01 ? 297 LYS A N 1 O49373 UNP 297 K +ATOM 2405 C CA . LYS A 1 297 ? 18.739 -2.972 14.877 1.0 96.01 ? 297 LYS A CA 1 O49373 UNP 297 K +ATOM 2406 C C . LYS A 1 297 ? 17.942 -3.864 13.925 1.0 96.01 ? 297 LYS A C 1 O49373 UNP 297 K +ATOM 2407 C CB . LYS A 1 297 ? 20.059 -2.510 14.243 1.0 96.01 ? 297 LYS A CB 1 O49373 UNP 297 K +ATOM 2408 O O . LYS A 1 297 ? 16.944 -3.418 13.362 1.0 96.01 ? 297 LYS A O 1 O49373 UNP 297 K +ATOM 2409 C CG . LYS A 1 297 ? 19.783 -1.626 13.019 1.0 96.01 ? 297 LYS A CG 1 O49373 UNP 297 K +ATOM 2410 C CD . LYS A 1 297 ? 21.057 -1.327 12.228 1.0 96.01 ? 297 LYS A CD 1 O49373 UNP 297 K +ATOM 2411 C CE . LYS A 1 297 ? 20.644 -0.588 10.949 1.0 96.01 ? 297 LYS A CE 1 O49373 UNP 297 K +ATOM 2412 N NZ . LYS A 1 297 ? 21.632 -0.762 9.857 1.0 96.01 ? 297 LYS A NZ 1 O49373 UNP 297 K +ATOM 2413 N N . PHE A 1 298 ? 18.324 -5.137 13.796 1.0 95.73 ? 298 PHE A N 1 O49373 UNP 298 F +ATOM 2414 C CA . PHE A 1 298 ? 17.583 -6.109 12.988 1.0 95.73 ? 298 PHE A CA 1 O49373 UNP 298 F +ATOM 2415 C C . PHE A 1 298 ? 16.131 -6.247 13.465 1.0 95.73 ? 298 PHE A C 1 O49373 UNP 298 F +ATOM 2416 C CB . PHE A 1 298 ? 18.298 -7.469 13.015 1.0 95.73 ? 298 PHE A CB 1 O49373 UNP 298 F +ATOM 2417 O O . PHE A 1 298 ? 15.208 -6.220 12.644 1.0 95.73 ? 298 PHE A O 1 O49373 UNP 298 F +ATOM 2418 C CG . PHE A 1 298 ? 17.468 -8.605 12.446 1.0 95.73 ? 298 PHE A CG 1 O49373 UNP 298 F +ATOM 2419 C CD1 . PHE A 1 298 ? 16.659 -9.384 13.297 1.0 95.73 ? 298 PHE A CD1 1 O49373 UNP 298 F +ATOM 2420 C CD2 . PHE A 1 298 ? 17.468 -8.857 11.064 1.0 95.73 ? 298 PHE A CD2 1 O49373 UNP 298 F +ATOM 2421 C CE1 . PHE A 1 298 ? 15.835 -10.392 12.768 1.0 95.73 ? 298 PHE A CE1 1 O49373 UNP 298 F +ATOM 2422 C CE2 . PHE A 1 298 ? 16.660 -9.880 10.538 1.0 95.73 ? 298 PHE A CE2 1 O49373 UNP 298 F +ATOM 2423 C CZ . PHE A 1 298 ? 15.831 -10.636 11.384 1.0 95.73 ? 298 PHE A CZ 1 O49373 UNP 298 F +ATOM 2424 N N . LEU A 1 299 ? 15.913 -6.370 14.780 1.0 96.82 ? 299 LEU A N 1 O49373 UNP 299 L +ATOM 2425 C CA . LEU A 1 299 ? 14.562 -6.435 15.340 1.0 96.82 ? 299 LEU A CA 1 O49373 UNP 299 L +ATOM 2426 C C . LEU A 1 299 ? 13.793 -5.141 15.061 1.0 96.82 ? 299 LEU A C 1 O49373 UNP 299 L +ATOM 2427 C CB . LEU A 1 299 ? 14.615 -6.735 16.848 1.0 96.82 ? 299 LEU A CB 1 O49373 UNP 299 L +ATOM 2428 O O . LEU A 1 299 ? 12.675 -5.209 14.552 1.0 96.82 ? 299 LEU A O 1 O49373 UNP 299 L +ATOM 2429 C CG . LEU A 1 299 ? 15.144 -8.130 17.224 1.0 96.82 ? 299 LEU A CG 1 O49373 UNP 299 L +ATOM 2430 C CD1 . LEU A 1 299 ? 15.114 -8.275 18.744 1.0 96.82 ? 299 LEU A CD1 1 O49373 UNP 299 L +ATOM 2431 C CD2 . LEU A 1 299 ? 14.303 -9.264 16.630 1.0 96.82 ? 299 LEU A CD2 1 O49373 UNP 299 L +ATOM 2432 N N . ARG A 1 300 ? 14.407 -3.981 15.323 1.0 97.00 ? 300 ARG A N 1 O49373 UNP 300 R +ATOM 2433 C CA . ARG A 1 300 ? 13.824 -2.649 15.125 1.0 97.00 ? 300 ARG A CA 1 O49373 UNP 300 R +ATOM 2434 C C . ARG A 1 300 ? 13.359 -2.451 13.687 1.0 97.00 ? 300 ARG A C 1 O49373 UNP 300 R +ATOM 2435 C CB . ARG A 1 300 ? 14.852 -1.598 15.589 1.0 97.00 ? 300 ARG A CB 1 O49373 UNP 300 R +ATOM 2436 O O . ARG A 1 300 ? 12.208 -2.078 13.469 1.0 97.00 ? 300 ARG A O 1 O49373 UNP 300 R +ATOM 2437 C CG . ARG A 1 300 ? 14.466 -0.139 15.315 1.0 97.00 ? 300 ARG A CG 1 O49373 UNP 300 R +ATOM 2438 C CD . ARG A 1 300 ? 14.926 0.317 13.929 1.0 97.00 ? 300 ARG A CD 1 O49373 UNP 300 R +ATOM 2439 N NE . ARG A 1 300 ? 14.600 1.721 13.702 1.0 97.00 ? 300 ARG A NE 1 O49373 UNP 300 R +ATOM 2440 N NH1 . ARG A 1 300 ? 14.297 1.608 11.433 1.0 97.00 ? 300 ARG A NH1 1 O49373 UNP 300 R +ATOM 2441 N NH2 . ARG A 1 300 ? 14.068 3.547 12.543 1.0 97.00 ? 300 ARG A NH2 1 O49373 UNP 300 R +ATOM 2442 C CZ . ARG A 1 300 ? 14.303 2.273 12.551 1.0 97.00 ? 300 ARG A CZ 1 O49373 UNP 300 R +ATOM 2443 N N . ASP A 1 301 ? 14.216 -2.738 12.710 1.0 97.12 ? 301 ASP A N 1 O49373 UNP 301 D +ATOM 2444 C CA . ASP A 1 301 ? 13.914 -2.510 11.294 1.0 97.12 ? 301 ASP A CA 1 O49373 UNP 301 D +ATOM 2445 C C . ASP A 1 301 ? 12.731 -3.369 10.833 1.0 97.12 ? 301 ASP A C 1 O49373 UNP 301 D +ATOM 2446 C CB . ASP A 1 301 ? 15.167 -2.803 10.446 1.0 97.12 ? 301 ASP A CB 1 O49373 UNP 301 D +ATOM 2447 O O . ASP A 1 301 ? 11.857 -2.918 10.089 1.0 97.12 ? 301 ASP A O 1 O49373 UNP 301 D +ATOM 2448 C CG . ASP A 1 301 ? 16.264 -1.739 10.578 1.0 97.12 ? 301 ASP A CG 1 O49373 UNP 301 D +ATOM 2449 O OD1 . ASP A 1 301 ? 15.957 -0.630 11.079 1.0 97.12 ? 301 ASP A OD1 1 O49373 UNP 301 D +ATOM 2450 O OD2 . ASP A 1 301 ? 17.391 -1.998 10.090 1.0 97.12 ? 301 ASP A OD2 1 O49373 UNP 301 D +ATOM 2451 N N . ASN A 1 302 ? 12.659 -4.612 11.311 1.0 95.82 ? 302 ASN A N 1 O49373 UNP 302 N +ATOM 2452 C CA . ASN A 1 302 ? 11.609 -5.534 10.906 1.0 95.82 ? 302 ASN A CA 1 O49373 UNP 302 N +ATOM 2453 C C . ASN A 1 302 ? 10.281 -5.280 11.621 1.0 95.82 ? 302 ASN A C 1 O49373 UNP 302 N +ATOM 2454 C CB . ASN A 1 302 ? 12.124 -6.970 11.026 1.0 95.82 ? 302 ASN A CB 1 O49373 UNP 302 N +ATOM 2455 O O . ASN A 1 302 ? 9.247 -5.296 10.950 1.0 95.82 ? 302 ASN A O 1 O49373 UNP 302 N +ATOM 2456 C CG . ASN A 1 302 ? 13.087 -7.239 9.887 1.0 95.82 ? 302 ASN A CG 1 O49373 UNP 302 N +ATOM 2457 N ND2 . ASN A 1 302 ? 14.372 -7.183 10.124 1.0 95.82 ? 302 ASN A ND2 1 O49373 UNP 302 N +ATOM 2458 O OD1 . ASN A 1 302 ? 12.671 -7.480 8.755 1.0 95.82 ? 302 ASN A OD1 1 O49373 UNP 302 N +ATOM 2459 N N . ILE A 1 303 ? 10.272 -4.985 12.927 1.0 95.96 ? 303 ILE A N 1 O49373 UNP 303 I +ATOM 2460 C CA . ILE A 1 303 ? 9.021 -4.629 13.613 1.0 95.96 ? 303 ILE A CA 1 O49373 UNP 303 I +ATOM 2461 C C . ILE A 1 303 ? 8.444 -3.318 13.075 1.0 95.96 ? 303 ILE A C 1 O49373 UNP 303 I +ATOM 2462 C CB . ILE A 1 303 ? 9.144 -4.612 15.151 1.0 95.96 ? 303 ILE A CB 1 O49373 UNP 303 I +ATOM 2463 O O . ILE A 1 303 ? 7.242 -3.260 12.820 1.0 95.96 ? 303 ILE A O 1 O49373 UNP 303 I +ATOM 2464 C CG1 . ILE A 1 303 ? 10.037 -3.482 15.702 1.0 95.96 ? 303 ILE A CG1 1 O49373 UNP 303 I +ATOM 2465 C CG2 . ILE A 1 303 ? 9.527 -6.014 15.658 1.0 95.96 ? 303 ILE A CG2 1 O49373 UNP 303 I +ATOM 2466 C CD1 . ILE A 1 303 ? 10.144 -3.477 17.229 1.0 95.96 ? 303 ILE A CD1 1 O49373 UNP 303 I +ATOM 2467 N N . LEU A 1 304 ? 9.284 -2.309 12.800 1.0 96.76 ? 304 LEU A N 1 O49373 UNP 304 L +ATOM 2468 C CA . LEU A 1 304 ? 8.846 -1.053 12.189 1.0 96.76 ? 304 LEU A CA 1 O49373 UNP 304 L +ATOM 2469 C C . LEU A 1 304 ? 8.192 -1.305 10.828 1.0 96.76 ? 304 LEU A C 1 O49373 UNP 304 L +ATOM 2470 C CB . LEU A 1 304 ? 10.051 -0.102 12.055 1.0 96.76 ? 304 LEU A CB 1 O49373 UNP 304 L +ATOM 2471 O O . LEU A 1 304 ? 7.104 -0.799 10.556 1.0 96.76 ? 304 LEU A O 1 O49373 UNP 304 L +ATOM 2472 C CG . LEU A 1 304 ? 9.721 1.220 11.331 1.0 96.76 ? 304 LEU A CG 1 O49373 UNP 304 L +ATOM 2473 C CD1 . LEU A 1 304 ? 8.672 2.043 12.076 1.0 96.76 ? 304 LEU A CD1 1 O49373 UNP 304 L +ATOM 2474 C CD2 . LEU A 1 304 ? 10.984 2.057 11.180 1.0 96.76 ? 304 LEU A CD2 1 O49373 UNP 304 L +ATOM 2475 N N . ALA A 1 305 ? 8.822 -2.128 9.987 1.0 96.34 ? 305 ALA A N 1 O49373 UNP 305 A +ATOM 2476 C CA . ALA A 1 305 ? 8.283 -2.467 8.677 1.0 96.34 ? 305 ALA A CA 1 O49373 UNP 305 A +ATOM 2477 C C . ALA A 1 305 ? 6.929 -3.197 8.760 1.0 96.34 ? 305 ALA A C 1 O49373 UNP 305 A +ATOM 2478 C CB . ALA A 1 305 ? 9.339 -3.283 7.933 1.0 96.34 ? 305 ALA A CB 1 O49373 UNP 305 A +ATOM 2479 O O . ALA A 1 305 ? 6.055 -2.944 7.929 1.0 96.34 ? 305 ALA A O 1 O49373 UNP 305 A +ATOM 2480 N N . PHE A 1 306 ? 6.724 -4.068 9.756 1.0 96.42 ? 306 PHE A N 1 O49373 UNP 306 F +ATOM 2481 C CA . PHE A 1 306 ? 5.421 -4.700 9.995 1.0 96.42 ? 306 PHE A CA 1 O49373 UNP 306 F +ATOM 2482 C C . PHE A 1 306 ? 4.365 -3.703 10.469 1.0 96.42 ? 306 PHE A C 1 O49373 UNP 306 F +ATOM 2483 C CB . PHE A 1 306 ? 5.546 -5.852 11.001 1.0 96.42 ? 306 PHE A CB 1 O49373 UNP 306 F +ATOM 2484 O O . PHE A 1 306 ? 3.252 -3.720 9.945 1.0 96.42 ? 306 PHE A O 1 O49373 UNP 306 F +ATOM 2485 C CG . PHE A 1 306 ? 5.834 -7.179 10.342 1.0 96.42 ? 306 PHE A CG 1 O49373 UNP 306 F +ATOM 2486 C CD1 . PHE A 1 306 ? 4.798 -7.856 9.674 1.0 96.42 ? 306 PHE A CD1 1 O49373 UNP 306 F +ATOM 2487 C CD2 . PHE A 1 306 ? 7.124 -7.733 10.369 1.0 96.42 ? 306 PHE A CD2 1 O49373 UNP 306 F +ATOM 2488 C CE1 . PHE A 1 306 ? 5.053 -9.079 9.034 1.0 96.42 ? 306 PHE A CE1 1 O49373 UNP 306 F +ATOM 2489 C CE2 . PHE A 1 306 ? 7.387 -8.934 9.694 1.0 96.42 ? 306 PHE A CE2 1 O49373 UNP 306 F +ATOM 2490 C CZ . PHE A 1 306 ? 6.349 -9.619 9.043 1.0 96.42 ? 306 PHE A CZ 1 O49373 UNP 306 F +ATOM 2491 N N . ILE A 1 307 ? 4.711 -2.832 11.419 1.0 95.64 ? 307 ILE A N 1 O49373 UNP 307 I +ATOM 2492 C CA . ILE A 1 307 ? 3.795 -1.826 11.965 1.0 95.64 ? 307 ILE A CA 1 O49373 UNP 307 I +ATOM 2493 C C . ILE A 1 307 ? 3.340 -0.864 10.861 1.0 95.64 ? 307 ILE A C 1 O49373 UNP 307 I +ATOM 2494 C CB . ILE A 1 307 ? 4.450 -1.097 13.159 1.0 95.64 ? 307 ILE A CB 1 O49373 UNP 307 I +ATOM 2495 O O . ILE A 1 307 ? 2.136 -0.686 10.675 1.0 95.64 ? 307 ILE A O 1 O49373 UNP 307 I +ATOM 2496 C CG1 . ILE A 1 307 ? 4.630 -2.058 14.359 1.0 95.64 ? 307 ILE A CG1 1 O49373 UNP 307 I +ATOM 2497 C CG2 . ILE A 1 307 ? 3.589 0.097 13.601 1.0 95.64 ? 307 ILE A CG2 1 O49373 UNP 307 I +ATOM 2498 C CD1 . ILE A 1 307 ? 5.615 -1.544 15.418 1.0 95.64 ? 307 ILE A CD1 1 O49373 UNP 307 I +ATOM 2499 N N . LEU A 1 308 ? 4.276 -0.318 10.073 1.0 94.71 ? 308 LEU A N 1 O49373 UNP 308 L +ATOM 2500 C CA . LEU A 1 308 ? 3.961 0.550 8.933 1.0 94.71 ? 308 LEU A CA 1 O49373 UNP 308 L +ATOM 2501 C C . LEU A 1 308 ? 3.051 -0.171 7.934 1.0 94.71 ? 308 LEU A C 1 O49373 UNP 308 L +ATOM 2502 C CB . LEU A 1 308 ? 5.280 1.021 8.287 1.0 94.71 ? 308 LEU A CB 1 O49373 UNP 308 L +ATOM 2503 O O . LEU A 1 308 ? 2.016 0.360 7.532 1.0 94.71 ? 308 LEU A O 1 O49373 UNP 308 L +ATOM 2504 C CG . LEU A 1 308 ? 5.112 2.035 7.131 1.0 94.71 ? 308 LEU A CG 1 O49373 UNP 308 L +ATOM 2505 C CD1 . LEU A 1 308 ? 6.435 2.769 6.909 1.0 94.71 ? 308 LEU A CD1 1 O49373 UNP 308 L +ATOM 2506 C CD2 . LEU A 1 308 ? 4.764 1.395 5.778 1.0 94.71 ? 308 LEU A CD2 1 O49373 UNP 308 L +ATOM 2507 N N . ALA A 1 309 ? 3.413 -1.399 7.547 1.0 95.77 ? 309 ALA A N 1 O49373 UNP 309 A +ATOM 2508 C CA . ALA A 1 309 ? 2.646 -2.156 6.567 1.0 95.77 ? 309 ALA A CA 1 O49373 UNP 309 A +ATOM 2509 C C . ALA A 1 309 ? 1.219 -2.459 7.047 1.0 95.77 ? 309 ALA A C 1 O49373 UNP 309 A +ATOM 2510 C CB . ALA A 1 309 ? 3.408 -3.439 6.215 1.0 95.77 ? 309 ALA A CB 1 O49373 UNP 309 A +ATOM 2511 O O . ALA A 1 309 ? 0.287 -2.330 6.257 1.0 95.77 ? 309 ALA A O 1 O49373 UNP 309 A +ATOM 2512 N N . GLY A 1 310 ? 1.033 -2.855 8.309 1.0 95.30 ? 310 GLY A N 1 O49373 UNP 310 G +ATOM 2513 C CA . GLY A 1 310 ? -0.279 -3.231 8.841 1.0 95.30 ? 310 GLY A CA 1 O49373 UNP 310 G +ATOM 2514 C C . GLY A 1 310 ? -1.203 -2.046 9.124 1.0 95.30 ? 310 GLY A C 1 O49373 UNP 310 G +ATOM 2515 O O . GLY A 1 310 ? -2.403 -2.155 8.865 1.0 95.30 ? 310 GLY A O 1 O49373 UNP 310 G +ATOM 2516 N N . ARG A 1 311 ? -0.656 -0.918 9.598 1.0 95.15 ? 311 ARG A N 1 O49373 UNP 311 R +ATOM 2517 C CA . ARG A 1 311 ? -1.421 0.296 9.918 1.0 95.15 ? 311 ARG A CA 1 O49373 UNP 311 R +ATOM 2518 C C . ARG A 1 311 ? -1.863 1.028 8.655 1.0 95.15 ? 311 ARG A C 1 O49373 UNP 311 R +ATOM 2519 C CB . ARG A 1 311 ? -0.590 1.197 10.852 1.0 95.15 ? 311 ARG A CB 1 O49373 UNP 311 R +ATOM 2520 O O . ARG A 1 311 ? -3.040 1.031 8.297 1.0 95.15 ? 311 ARG A O 1 O49373 UNP 311 R +ATOM 2521 C CG . ARG A 1 311 ? -1.310 2.510 11.205 1.0 95.15 ? 311 ARG A CG 1 O49373 UNP 311 R +ATOM 2522 C CD . ARG A 1 311 ? -0.346 3.483 11.889 1.0 95.15 ? 311 ARG A CD 1 O49373 UNP 311 R +ATOM 2523 N NE . ARG A 1 311 ? -0.962 4.805 12.107 1.0 95.15 ? 311 ARG A NE 1 O49373 UNP 311 R +ATOM 2524 N NH1 . ARG A 1 311 ? 0.413 6.067 10.730 1.0 95.15 ? 311 ARG A NH1 1 O49373 UNP 311 R +ATOM 2525 N NH2 . ARG A 1 311 ? -1.205 7.056 11.812 1.0 95.15 ? 311 ARG A NH2 1 O49373 UNP 311 R +ATOM 2526 C CZ . ARG A 1 311 ? -0.573 5.951 11.563 1.0 95.15 ? 311 ARG A CZ 1 O49373 UNP 311 R +ATOM 2527 N N . ASP A 1 312 ? -0.902 1.637 7.965 1.0 94.86 ? 312 ASP A N 1 O49373 UNP 312 D +ATOM 2528 C CA . ASP A 1 312 ? -1.183 2.687 6.987 1.0 94.86 ? 312 ASP A CA 1 O49373 UNP 312 D +ATOM 2529 C C . ASP A 1 312 ? -1.935 2.138 5.777 1.0 94.86 ? 312 ASP A C 1 O49373 UNP 312 D +ATOM 2530 C CB . ASP A 1 312 ? 0.133 3.331 6.530 1.0 94.86 ? 312 ASP A CB 1 O49373 UNP 312 D +ATOM 2531 O O . ASP A 1 312 ? -2.842 2.786 5.248 1.0 94.86 ? 312 ASP A O 1 O49373 UNP 312 D +ATOM 2532 C CG . ASP A 1 312 ? 0.873 4.123 7.611 1.0 94.86 ? 312 ASP A CG 1 O49373 UNP 312 D +ATOM 2533 O OD1 . ASP A 1 312 ? 0.381 4.189 8.761 1.0 94.86 ? 312 ASP A OD1 1 O49373 UNP 312 D +ATOM 2534 O OD2 . ASP A 1 312 ? 1.962 4.629 7.277 1.0 94.86 ? 312 ASP A OD2 1 O49373 UNP 312 D +ATOM 2535 N N . THR A 1 313 ? -1.592 0.916 5.349 1.0 97.55 ? 313 THR A N 1 O49373 UNP 313 T +ATOM 2536 C CA . THR A 1 313 ? -2.209 0.321 4.161 1.0 97.55 ? 313 THR A CA 1 O49373 UNP 313 T +ATOM 2537 C C . THR A 1 313 ? -3.671 -0.052 4.399 1.0 97.55 ? 313 THR A C 1 O49373 UNP 313 T +ATOM 2538 C CB . THR A 1 313 ? -1.429 -0.867 3.583 1.0 97.55 ? 313 THR A CB 1 O49373 UNP 313 T +ATOM 2539 O O . THR A 1 313 ? -4.531 0.296 3.588 1.0 97.55 ? 313 THR A O 1 O49373 UNP 313 T +ATOM 2540 C CG2 . THR A 1 313 ? 0.043 -0.554 3.317 1.0 97.55 ? 313 THR A CG2 1 O49373 UNP 313 T +ATOM 2541 O OG1 . THR A 1 313 ? -1.507 -2.017 4.385 1.0 97.55 ? 313 THR A OG1 1 O49373 UNP 313 T +ATOM 2542 N N . THR A 1 314 ? -3.965 -0.692 5.532 1.0 98.14 ? 314 THR A N 1 O49373 UNP 314 T +ATOM 2543 C CA . THR A 1 314 ? -5.314 -1.129 5.905 1.0 98.14 ? 314 THR A CA 1 O49373 UNP 314 T +ATOM 2544 C C . THR A 1 314 ? -6.208 0.066 6.224 1.0 98.14 ? 314 THR A C 1 O49373 UNP 314 T +ATOM 2545 C CB . THR A 1 314 ? -5.260 -2.077 7.114 1.0 98.14 ? 314 THR A CB 1 O49373 UNP 314 T +ATOM 2546 O O . THR A 1 314 ? -7.340 0.128 5.743 1.0 98.14 ? 314 THR A O 1 O49373 UNP 314 T +ATOM 2547 C CG2 . THR A 1 314 ? -6.586 -2.799 7.341 1.0 98.14 ? 314 THR A CG2 1 O49373 UNP 314 T +ATOM 2548 O OG1 . THR A 1 314 ? -4.275 -3.066 6.925 1.0 98.14 ? 314 THR A OG1 1 O49373 UNP 314 T +ATOM 2549 N N . ALA A 1 315 ? -5.693 1.054 6.965 1.0 97.84 ? 315 ALA A N 1 O49373 UNP 315 A +ATOM 2550 C CA . ALA A 1 315 ? -6.435 2.272 7.283 1.0 97.84 ? 315 ALA A CA 1 O49373 UNP 315 A +ATOM 2551 C C . ALA A 1 315 ? -6.806 3.062 6.025 1.0 97.84 ? 315 ALA A C 1 O49373 UNP 315 A +ATOM 2552 C CB . ALA A 1 315 ? -5.590 3.132 8.224 1.0 97.84 ? 315 ALA A CB 1 O49373 UNP 315 A +ATOM 2553 O O . ALA A 1 315 ? -7.950 3.489 5.864 1.0 97.84 ? 315 ALA A O 1 O49373 UNP 315 A +ATOM 2554 N N . THR A 1 316 ? -5.854 3.204 5.101 1.0 98.18 ? 316 THR A N 1 O49373 UNP 316 T +ATOM 2555 C CA . THR A 1 316 ? -6.079 3.882 3.820 1.0 98.18 ? 316 THR A CA 1 O49373 UNP 316 T +ATOM 2556 C C . THR A 1 316 ? -7.115 3.139 2.978 1.0 98.18 ? 316 THR A C 1 O49373 UNP 316 T +ATOM 2557 C CB . THR A 1 316 ? -4.757 4.016 3.056 1.0 98.18 ? 316 THR A CB 1 O49373 UNP 316 T +ATOM 2558 O O . THR A 1 316 ? -8.034 3.767 2.454 1.0 98.18 ? 316 THR A O 1 O49373 UNP 316 T +ATOM 2559 C CG2 . THR A 1 316 ? -4.914 4.664 1.687 1.0 98.18 ? 316 THR A CG2 1 O49373 UNP 316 T +ATOM 2560 O OG1 . THR A 1 316 ? -3.867 4.826 3.782 1.0 98.18 ? 316 THR A OG1 1 O49373 UNP 316 T +ATOM 2561 N N . ALA A 1 317 ? -7.016 1.808 2.877 1.0 98.80 ? 317 ALA A N 1 O49373 UNP 317 A +ATOM 2562 C CA . ALA A 1 317 ? -7.973 0.999 2.124 1.0 98.80 ? 317 ALA A CA 1 O49373 UNP 317 A +ATOM 2563 C C . ALA A 1 317 ? -9.403 1.138 2.669 1.0 98.80 ? 317 ALA A C 1 O49373 UNP 317 A +ATOM 2564 C CB . ALA A 1 317 ? -7.513 -0.461 2.144 1.0 98.80 ? 317 ALA A CB 1 O49373 UNP 317 A +ATOM 2565 O O . ALA A 1 317 ? -10.325 1.387 1.894 1.0 98.80 ? 317 ALA A O 1 O49373 UNP 317 A +ATOM 2566 N N . LEU A 1 318 ? -9.580 1.045 3.992 1.0 98.75 ? 318 LEU A N 1 O49373 UNP 318 L +ATOM 2567 C CA . LEU A 1 318 ? -10.876 1.237 4.649 1.0 98.75 ? 318 LEU A CA 1 O49373 UNP 318 L +ATOM 2568 C C . LEU A 1 318 ? -11.428 2.651 4.435 1.0 98.75 ? 318 LEU A C 1 O49373 UNP 318 L +ATOM 2569 C CB . LEU A 1 318 ? -10.731 0.945 6.151 1.0 98.75 ? 318 LEU A CB 1 O49373 UNP 318 L +ATOM 2570 O O . LEU A 1 318 ? -12.601 2.807 4.110 1.0 98.75 ? 318 LEU A O 1 O49373 UNP 318 L +ATOM 2571 C CG . LEU A 1 318 ? -10.691 -0.549 6.499 1.0 98.75 ? 318 LEU A CG 1 O49373 UNP 318 L +ATOM 2572 C CD1 . LEU A 1 318 ? -10.265 -0.725 7.957 1.0 98.75 ? 318 LEU A CD1 1 O49373 UNP 318 L +ATOM 2573 C CD2 . LEU A 1 318 ? -12.069 -1.191 6.308 1.0 98.75 ? 318 LEU A CD2 1 O49373 UNP 318 L +ATOM 2574 N N . SER A 1 319 ? -10.584 3.676 4.556 1.0 98.54 ? 319 SER A N 1 O49373 UNP 319 S +ATOM 2575 C CA . SER A 1 319 ? -11.004 5.072 4.375 1.0 98.54 ? 319 SER A CA 1 O49373 UNP 319 S +ATOM 2576 C C . SER A 1 319 ? -11.563 5.309 2.970 1.0 98.54 ? 319 SER A C 1 O49373 UNP 319 S +ATOM 2577 C CB . SER A 1 319 ? -9.839 6.032 4.639 1.0 98.54 ? 319 SER A CB 1 O49373 UNP 319 S +ATOM 2578 O O . SER A 1 319 ? -12.685 5.792 2.818 1.0 98.54 ? 319 SER A O 1 O49373 UNP 319 S +ATOM 2579 O OG . SER A 1 319 ? -9.305 5.816 5.927 1.0 98.54 ? 319 SER A OG 1 O49373 UNP 319 S +ATOM 2580 N N . TRP A 1 320 ? -10.822 4.913 1.928 1.0 98.72 ? 320 TRP A N 1 O49373 UNP 320 W +ATOM 2581 C CA . TRP A 1 320 ? -11.295 5.042 0.545 1.0 98.72 ? 320 TRP A CA 1 O49373 UNP 320 W +ATOM 2582 C C . TRP A 1 320 ? -12.506 4.168 0.254 1.0 98.72 ? 320 TRP A C 1 O49373 UNP 320 W +ATOM 2583 C CB . TRP A 1 320 ? -10.175 4.708 -0.437 1.0 98.72 ? 320 TRP A CB 1 O49373 UNP 320 W +ATOM 2584 O O . TRP A 1 320 ? -13.388 4.598 -0.483 1.0 98.72 ? 320 TRP A O 1 O49373 UNP 320 W +ATOM 2585 C CG . TRP A 1 320 ? -9.127 5.762 -0.512 1.0 98.72 ? 320 TRP A CG 1 O49373 UNP 320 W +ATOM 2586 C CD1 . TRP A 1 320 ? -7.848 5.627 -0.118 1.0 98.72 ? 320 TRP A CD1 1 O49373 UNP 320 W +ATOM 2587 C CD2 . TRP A 1 320 ? -9.249 7.128 -1.008 1.0 98.72 ? 320 TRP A CD2 1 O49373 UNP 320 W +ATOM 2588 C CE2 . TRP A 1 320 ? -7.994 7.779 -0.862 1.0 98.72 ? 320 TRP A CE2 1 O49373 UNP 320 W +ATOM 2589 C CE3 . TRP A 1 320 ? -10.293 7.878 -1.578 1.0 98.72 ? 320 TRP A CE3 1 O49373 UNP 320 W +ATOM 2590 N NE1 . TRP A 1 320 ? -7.182 6.814 -0.321 1.0 98.72 ? 320 TRP A NE1 1 O49373 UNP 320 W +ATOM 2591 C CH2 . TRP A 1 320 ? -8.854 9.841 -1.785 1.0 98.72 ? 320 TRP A CH2 1 O49373 UNP 320 W +ATOM 2592 C CZ2 . TRP A 1 320 ? -7.782 9.113 -1.237 1.0 98.72 ? 320 TRP A CZ2 1 O49373 UNP 320 W +ATOM 2593 C CZ3 . TRP A 1 320 ? -10.102 9.217 -1.963 1.0 98.72 ? 320 TRP A CZ3 1 O49373 UNP 320 W +ATOM 2594 N N . PHE A 1 321 ? -12.570 2.973 0.840 1.0 98.78 ? 321 PHE A N 1 O49373 UNP 321 F +ATOM 2595 C CA . PHE A 1 321 ? -13.727 2.095 0.725 1.0 98.78 ? 321 PHE A CA 1 O49373 UNP 321 F +ATOM 2596 C C . PHE A 1 321 ? -15.000 2.773 1.245 1.0 98.78 ? 321 PHE A C 1 O49373 UNP 321 F +ATOM 2597 C CB . PHE A 1 321 ? -13.422 0.781 1.448 1.0 98.78 ? 321 PHE A CB 1 O49373 UNP 321 F +ATOM 2598 O O . PHE A 1 321 ? -15.978 2.850 0.508 1.0 98.78 ? 321 PHE A O 1 O49373 UNP 321 F +ATOM 2599 C CG . PHE A 1 321 ? -14.601 -0.155 1.544 1.0 98.78 ? 321 PHE A CG 1 O49373 UNP 321 F +ATOM 2600 C CD1 . PHE A 1 321 ? -15.288 -0.300 2.764 1.0 98.78 ? 321 PHE A CD1 1 O49373 UNP 321 F +ATOM 2601 C CD2 . PHE A 1 321 ? -15.014 -0.877 0.411 1.0 98.78 ? 321 PHE A CD2 1 O49373 UNP 321 F +ATOM 2602 C CE1 . PHE A 1 321 ? -16.380 -1.177 2.853 1.0 98.78 ? 321 PHE A CE1 1 O49373 UNP 321 F +ATOM 2603 C CE2 . PHE A 1 321 ? -16.101 -1.757 0.504 1.0 98.78 ? 321 PHE A CE2 1 O49373 UNP 321 F +ATOM 2604 C CZ . PHE A 1 321 ? -16.780 -1.911 1.724 1.0 98.78 ? 321 PHE A CZ 1 O49373 UNP 321 F +ATOM 2605 N N . PHE A 1 322 ? -14.984 3.341 2.454 1.0 98.47 ? 322 PHE A N 1 O49373 UNP 322 F +ATOM 2606 C CA . PHE A 1 322 ? -16.164 4.009 3.016 1.0 98.47 ? 322 PHE A CA 1 O49373 UNP 322 F +ATOM 2607 C C . PHE A 1 322 ? -16.559 5.285 2.266 1.0 98.47 ? 322 PHE A C 1 O49373 UNP 322 F +ATOM 2608 C CB . PHE A 1 322 ? -15.963 4.273 4.511 1.0 98.47 ? 322 PHE A CB 1 O49373 UNP 322 F +ATOM 2609 O O . PHE A 1 322 ? -17.751 5.533 2.094 1.0 98.47 ? 322 PHE A O 1 O49373 UNP 322 F +ATOM 2610 C CG . PHE A 1 322 ? -16.355 3.072 5.343 1.0 98.47 ? 322 PHE A CG 1 O49373 UNP 322 F +ATOM 2611 C CD1 . PHE A 1 322 ? -17.718 2.806 5.564 1.0 98.47 ? 322 PHE A CD1 1 O49373 UNP 322 F +ATOM 2612 C CD2 . PHE A 1 322 ? -15.382 2.186 5.837 1.0 98.47 ? 322 PHE A CD2 1 O49373 UNP 322 F +ATOM 2613 C CE1 . PHE A 1 322 ? -18.103 1.651 6.262 1.0 98.47 ? 322 PHE A CE1 1 O49373 UNP 322 F +ATOM 2614 C CE2 . PHE A 1 322 ? -15.765 1.035 6.543 1.0 98.47 ? 322 PHE A CE2 1 O49373 UNP 322 F +ATOM 2615 C CZ . PHE A 1 322 ? -17.127 0.767 6.747 1.0 98.47 ? 322 PHE A CZ 1 O49373 UNP 322 F +ATOM 2616 N N . TRP A 1 323 ? -15.594 6.052 1.752 1.0 98.23 ? 323 TRP A N 1 O49373 UNP 323 W +ATOM 2617 C CA . TRP A 1 323 ? -15.910 7.168 0.856 1.0 98.23 ? 323 TRP A CA 1 O49373 UNP 323 W +ATOM 2618 C C . TRP A 1 323 ? -16.539 6.693 -0.465 1.0 98.23 ? 323 TRP A C 1 O49373 UNP 323 W +ATOM 2619 C CB . TRP A 1 323 ? -14.650 7.996 0.599 1.0 98.23 ? 323 TRP A CB 1 O49373 UNP 323 W +ATOM 2620 O O . TRP A 1 323 ? -17.535 7.243 -0.921 1.0 98.23 ? 323 TRP A O 1 O49373 UNP 323 W +ATOM 2621 C CG . TRP A 1 323 ? -14.846 9.025 -0.465 1.0 98.23 ? 323 TRP A CG 1 O49373 UNP 323 W +ATOM 2622 C CD1 . TRP A 1 323 ? -15.636 10.116 -0.365 1.0 98.23 ? 323 TRP A CD1 1 O49373 UNP 323 W +ATOM 2623 C CD2 . TRP A 1 323 ? -14.417 8.980 -1.855 1.0 98.23 ? 323 TRP A CD2 1 O49373 UNP 323 W +ATOM 2624 C CE2 . TRP A 1 323 ? -14.935 10.120 -2.535 1.0 98.23 ? 323 TRP A CE2 1 O49373 UNP 323 W +ATOM 2625 C CE3 . TRP A 1 323 ? -13.689 8.053 -2.622 1.0 98.23 ? 323 TRP A CE3 1 O49373 UNP 323 W +ATOM 2626 N NE1 . TRP A 1 323 ? -15.707 10.753 -1.589 1.0 98.23 ? 323 TRP A NE1 1 O49373 UNP 323 W +ATOM 2627 C CH2 . TRP A 1 323 ? -13.929 9.438 -4.623 1.0 98.23 ? 323 TRP A CH2 1 O49373 UNP 323 W +ATOM 2628 C CZ2 . TRP A 1 323 ? -14.681 10.370 -3.890 1.0 98.23 ? 323 TRP A CZ2 1 O49373 UNP 323 W +ATOM 2629 C CZ3 . TRP A 1 323 ? -13.459 8.276 -3.989 1.0 98.23 ? 323 TRP A CZ3 1 O49373 UNP 323 W +ATOM 2630 N N . LEU A 1 324 ? -16.014 5.629 -1.077 1.0 98.25 ? 324 LEU A N 1 O49373 UNP 324 L +ATOM 2631 C CA . LEU A 1 324 ? -16.610 5.072 -2.294 1.0 98.25 ? 324 LEU A CA 1 O49373 UNP 324 L +ATOM 2632 C C . LEU A 1 324 ? -18.025 4.546 -2.044 1.0 98.25 ? 324 LEU A C 1 O49373 UNP 324 L +ATOM 2633 C CB . LEU A 1 324 ? -15.706 3.965 -2.851 1.0 98.25 ? 324 LEU A CB 1 O49373 UNP 324 L +ATOM 2634 O O . LEU A 1 324 ? -18.889 4.706 -2.902 1.0 98.25 ? 324 LEU A O 1 O49373 UNP 324 L +ATOM 2635 C CG . LEU A 1 324 ? -14.463 4.516 -3.564 1.0 98.25 ? 324 LEU A CG 1 O49373 UNP 324 L +ATOM 2636 C CD1 . LEU A 1 324 ? -13.465 3.389 -3.790 1.0 98.25 ? 324 LEU A CD1 1 O49373 UNP 324 L +ATOM 2637 C CD2 . LEU A 1 324 ? -14.819 5.143 -4.914 1.0 98.25 ? 324 LEU A CD2 1 O49373 UNP 324 L +ATOM 2638 N N . LEU A 1 325 ? -18.291 3.965 -0.875 1.0 98.26 ? 325 LEU A N 1 O49373 UNP 325 L +ATOM 2639 C CA . LEU A 1 325 ? -19.638 3.549 -0.495 1.0 98.26 ? 325 LEU A CA 1 O49373 UNP 325 L +ATOM 2640 C C . LEU A 1 325 ? -20.602 4.729 -0.330 1.0 98.26 ? 325 LEU A C 1 O49373 UNP 325 L +ATOM 2641 C CB . LEU A 1 325 ? -19.583 2.718 0.793 1.0 98.26 ? 325 LEU A CB 1 O49373 UNP 325 L +ATOM 2642 O O . LEU A 1 325 ? -21.747 4.612 -0.765 1.0 98.26 ? 325 LEU A O 1 O49373 UNP 325 L +ATOM 2643 C CG . LEU A 1 325 ? -18.982 1.307 0.665 1.0 98.26 ? 325 LEU A CG 1 O49373 UNP 325 L +ATOM 2644 C CD1 . LEU A 1 325 ? -19.296 0.552 1.952 1.0 98.26 ? 325 LEU A CD1 1 O49373 UNP 325 L +ATOM 2645 C CD2 . LEU A 1 325 ? -19.527 0.494 -0.512 1.0 98.26 ? 325 LEU A CD2 1 O49373 UNP 325 L +ATOM 2646 N N . SER A 1 326 ? -20.162 5.863 0.233 1.0 96.36 ? 326 SER A N 1 O49373 UNP 326 S +ATOM 2647 C CA . SER A 1 326 ? -21.034 7.041 0.377 1.0 96.36 ? 326 SER A CA 1 O49373 UNP 326 S +ATOM 2648 C C . SER A 1 326 ? -21.487 7.598 -0.972 1.0 96.36 ? 326 SER A C 1 O49373 UNP 326 S +ATOM 2649 C CB . SER A 1 326 ? -20.380 8.143 1.221 1.0 96.36 ? 326 SER A CB 1 O49373 UNP 326 S +ATOM 2650 O O . SER A 1 326 ? -22.617 8.060 -1.097 1.0 96.36 ? 326 SER A O 1 O49373 UNP 326 S +ATOM 2651 O OG . SER A 1 326 ? -19.324 8.822 0.570 1.0 96.36 ? 326 SER A OG 1 O49373 UNP 326 S +ATOM 2652 N N . GLU A 1 327 ? -20.636 7.490 -1.994 1.0 96.05 ? 327 GLU A N 1 O49373 UNP 327 E +ATOM 2653 C CA . GLU A 1 327 ? -20.951 7.892 -3.369 1.0 96.05 ? 327 GLU A CA 1 O49373 UNP 327 E +ATOM 2654 C C . GLU A 1 327 ? -21.731 6.819 -4.153 1.0 96.05 ? 327 GLU A C 1 O49373 UNP 327 E +ATOM 2655 C CB . GLU A 1 327 ? -19.647 8.248 -4.102 1.0 96.05 ? 327 GLU A CB 1 O49373 UNP 327 E +ATOM 2656 O O . GLU A 1 327 ? -22.206 7.080 -5.257 1.0 96.05 ? 327 GLU A O 1 O49373 UNP 327 E +ATOM 2657 C CG . GLU A 1 327 ? -18.878 9.424 -3.481 1.0 96.05 ? 327 GLU A CG 1 O49373 UNP 327 E +ATOM 2658 C CD . GLU A 1 327 ? -19.696 10.720 -3.466 1.0 96.05 ? 327 GLU A CD 1 O49373 UNP 327 E +ATOM 2659 O OE1 . GLU A 1 327 ? -20.029 11.176 -2.349 1.0 96.05 ? 327 GLU A OE1 1 O49373 UNP 327 E +ATOM 2660 O OE2 . GLU A 1 327 ? -19.945 11.260 -4.567 1.0 96.05 ? 327 GLU A OE2 1 O49373 UNP 327 E +ATOM 2661 N N . ASN A 1 328 ? -21.879 5.600 -3.616 1.0 97.85 ? 328 ASN A N 1 O49373 UNP 328 N +ATOM 2662 C CA . ASN A 1 328 ? -22.503 4.472 -4.315 1.0 97.85 ? 328 ASN A CA 1 O49373 UNP 328 N +ATOM 2663 C C . ASN A 1 328 ? -23.528 3.717 -3.438 1.0 97.85 ? 328 ASN A C 1 O49373 UNP 328 N +ATOM 2664 C CB . ASN A 1 328 ? -21.398 3.562 -4.884 1.0 97.85 ? 328 ASN A CB 1 O49373 UNP 328 N +ATOM 2665 O O . ASN A 1 328 ? -23.323 2.542 -3.116 1.0 97.85 ? 328 ASN A O 1 O49373 UNP 328 N +ATOM 2666 C CG . ASN A 1 328 ? -20.579 4.261 -5.953 1.0 97.85 ? 328 ASN A CG 1 O49373 UNP 328 N +ATOM 2667 N ND2 . ASN A 1 328 ? -19.470 4.862 -5.602 1.0 97.85 ? 328 ASN A ND2 1 O49373 UNP 328 N +ATOM 2668 O OD1 . ASN A 1 328 ? -20.928 4.271 -7.120 1.0 97.85 ? 328 ASN A OD1 1 O49373 UNP 328 N +ATOM 2669 N N . PRO A 1 329 ? -24.691 4.322 -3.114 1.0 96.62 ? 329 PRO A N 1 O49373 UNP 329 P +ATOM 2670 C CA . PRO A 1 329 ? -25.699 3.704 -2.239 1.0 96.62 ? 329 PRO A CA 1 O49373 UNP 329 P +ATOM 2671 C C . PRO A 1 329 ? -26.230 2.344 -2.724 1.0 96.62 ? 329 PRO A C 1 O49373 UNP 329 P +ATOM 2672 C CB . PRO A 1 329 ? -26.839 4.726 -2.155 1.0 96.62 ? 329 PRO A CB 1 O49373 UNP 329 P +ATOM 2673 O O . PRO A 1 329 ? -26.585 1.481 -1.926 1.0 96.62 ? 329 PRO A O 1 O49373 UNP 329 P +ATOM 2674 C CG . PRO A 1 329 ? -26.150 6.063 -2.414 1.0 96.62 ? 329 PRO A CG 1 O49373 UNP 329 P +ATOM 2675 C CD . PRO A 1 329 ? -25.072 5.697 -3.427 1.0 96.62 ? 329 PRO A CD 1 O49373 UNP 329 P +ATOM 2676 N N . HIS A 1 330 ? -26.254 2.113 -4.039 1.0 97.62 ? 330 HIS A N 1 O49373 UNP 330 H +ATOM 2677 C CA . HIS A 1 330 ? -26.666 0.832 -4.622 1.0 97.62 ? 330 HIS A CA 1 O49373 UNP 330 H +ATOM 2678 C C . HIS A 1 330 ? -25.697 -0.317 -4.278 1.0 97.62 ? 330 HIS A C 1 O49373 UNP 330 H +ATOM 2679 C CB . HIS A 1 330 ? -26.816 1.006 -6.140 1.0 97.62 ? 330 HIS A CB 1 O49373 UNP 330 H +ATOM 2680 O O . HIS A 1 330 ? -26.133 -1.456 -4.108 1.0 97.62 ? 330 HIS A O 1 O49373 UNP 330 H +ATOM 2681 C CG . HIS A 1 330 ? -25.515 1.295 -6.850 1.0 97.62 ? 330 HIS A CG 1 O49373 UNP 330 H +ATOM 2682 C CD2 . HIS A 1 330 ? -24.730 0.376 -7.493 1.0 97.62 ? 330 HIS A CD2 1 O49373 UNP 330 H +ATOM 2683 N ND1 . HIS A 1 330 ? -24.877 2.516 -6.956 1.0 97.62 ? 330 HIS A ND1 1 O49373 UNP 330 H +ATOM 2684 C CE1 . HIS A 1 330 ? -23.736 2.331 -7.644 1.0 97.62 ? 330 HIS A CE1 1 O49373 UNP 330 H +ATOM 2685 N NE2 . HIS A 1 330 ? -23.615 1.044 -7.998 1.0 97.62 ? 330 HIS A NE2 1 O49373 UNP 330 H +ATOM 2686 N N . VAL A 1 331 ? -24.397 -0.027 -4.130 1.0 98.27 ? 331 VAL A N 1 O49373 UNP 331 V +ATOM 2687 C CA . VAL A 1 331 ? -23.393 -0.996 -3.658 1.0 98.27 ? 331 VAL A CA 1 O49373 UNP 331 V +ATOM 2688 C C . VAL A 1 331 ? -23.629 -1.307 -2.184 1.0 98.27 ? 331 VAL A C 1 O49373 UNP 331 V +ATOM 2689 C CB . VAL A 1 331 ? -21.956 -0.470 -3.870 1.0 98.27 ? 331 VAL A CB 1 O49373 UNP 331 V +ATOM 2690 O O . VAL A 1 331 ? -23.618 -2.473 -1.796 1.0 98.27 ? 331 VAL A O 1 O49373 UNP 331 V +ATOM 2691 C CG1 . VAL A 1 331 ? -20.904 -1.409 -3.270 1.0 98.27 ? 331 VAL A CG1 1 O49373 UNP 331 V +ATOM 2692 C CG2 . VAL A 1 331 ? -21.652 -0.303 -5.361 1.0 98.27 ? 331 VAL A CG2 1 O49373 UNP 331 V +ATOM 2693 N N . VAL A 1 332 ? -23.905 -0.280 -1.376 1.0 97.12 ? 332 VAL A N 1 O49373 UNP 332 V +ATOM 2694 C CA . VAL A 1 332 ? -24.235 -0.425 0.051 1.0 97.12 ? 332 VAL A CA 1 O49373 UNP 332 V +ATOM 2695 C C . VAL A 1 332 ? -25.444 -1.349 0.238 1.0 97.12 ? 332 VAL A C 1 O49373 UNP 332 V +ATOM 2696 C CB . VAL A 1 332 ? -24.467 0.961 0.688 1.0 97.12 ? 332 VAL A CB 1 O49373 UNP 332 V +ATOM 2697 O O . VAL A 1 332 ? -25.378 -2.289 1.027 1.0 97.12 ? 332 VAL A O 1 O49373 UNP 332 V +ATOM 2698 C CG1 . VAL A 1 332 ? -24.888 0.867 2.150 1.0 97.12 ? 332 VAL A CG1 1 O49373 UNP 332 V +ATOM 2699 C CG2 . VAL A 1 332 ? -23.193 1.805 0.628 1.0 97.12 ? 332 VAL A CG2 1 O49373 UNP 332 V +ATOM 2700 N N . ALA A 1 333 ? -26.508 -1.163 -0.549 1.0 96.58 ? 333 ALA A N 1 O49373 UNP 333 A +ATOM 2701 C CA . ALA A 1 333 ? -27.693 -2.024 -0.518 1.0 96.58 ? 333 ALA A CA 1 O49373 UNP 333 A +ATOM 2702 C C . ALA A 1 333 ? -27.373 -3.502 -0.823 1.0 96.58 ? 333 ALA A C 1 O49373 UNP 333 A +ATOM 2703 C CB . ALA A 1 333 ? -28.726 -1.457 -1.499 1.0 96.58 ? 333 ALA A CB 1 O49373 UNP 333 A +ATOM 2704 O O . ALA A 1 333 ? -27.825 -4.391 -0.100 1.0 96.58 ? 333 ALA A O 1 O49373 UNP 333 A +ATOM 2705 N N . LYS A 1 334 ? -26.549 -3.776 -1.844 1.0 97.30 ? 334 LYS A N 1 O49373 UNP 334 K +ATOM 2706 C CA . LYS A 1 334 ? -26.115 -5.144 -2.183 1.0 97.30 ? 334 LYS A CA 1 O49373 UNP 334 K +ATOM 2707 C C . LYS A 1 334 ? -25.244 -5.770 -1.093 1.0 97.30 ? 334 LYS A C 1 O49373 UNP 334 K +ATOM 2708 C CB . LYS A 1 334 ? -25.352 -5.135 -3.510 1.0 97.30 ? 334 LYS A CB 1 O49373 UNP 334 K +ATOM 2709 O O . LYS A 1 334 ? -25.416 -6.946 -0.785 1.0 97.30 ? 334 LYS A O 1 O49373 UNP 334 K +ATOM 2710 C CG . LYS A 1 334 ? -26.263 -4.949 -4.730 1.0 97.30 ? 334 LYS A CG 1 O49373 UNP 334 K +ATOM 2711 C CD . LYS A 1 334 ? -25.383 -4.921 -5.981 1.0 97.30 ? 334 LYS A CD 1 O49373 UNP 334 K +ATOM 2712 C CE . LYS A 1 334 ? -26.181 -4.782 -7.273 1.0 97.30 ? 334 LYS A CE 1 O49373 UNP 334 K +ATOM 2713 N NZ . LYS A 1 334 ? -25.290 -4.951 -8.448 1.0 97.30 ? 334 LYS A NZ 1 O49373 UNP 334 K +ATOM 2714 N N . ILE A 1 335 ? -24.346 -4.993 -0.481 1.0 96.40 ? 335 ILE A N 1 O49373 UNP 335 I +ATOM 2715 C CA . ILE A 1 335 ? -23.542 -5.464 0.655 1.0 96.40 ? 335 ILE A CA 1 O49373 UNP 335 I +ATOM 2716 C C . ILE A 1 335 ? -24.447 -5.787 1.850 1.0 96.40 ? 335 ILE A C 1 O49373 UNP 335 I +ATOM 2717 C CB . ILE A 1 335 ? -22.427 -4.458 1.023 1.0 96.40 ? 335 ILE A CB 1 O49373 UNP 335 I +ATOM 2718 O O . ILE A 1 335 ? -24.261 -6.827 2.470 1.0 96.40 ? 335 ILE A O 1 O49373 UNP 335 I +ATOM 2719 C CG1 . ILE A 1 335 ? -21.375 -4.367 -0.105 1.0 96.40 ? 335 ILE A CG1 1 O49373 UNP 335 I +ATOM 2720 C CG2 . ILE A 1 335 ? -21.740 -4.886 2.333 1.0 96.40 ? 335 ILE A CG2 1 O49373 UNP 335 I +ATOM 2721 C CD1 . ILE A 1 335 ? -20.371 -3.219 0.064 1.0 96.40 ? 335 ILE A CD1 1 O49373 UNP 335 I +ATOM 2722 N N . HIS A 1 336 ? -25.454 -4.965 2.164 1.0 92.71 ? 336 HIS A N 1 O49373 UNP 336 H +ATOM 2723 C CA . HIS A 1 336 ? -26.406 -5.298 3.232 1.0 92.71 ? 336 HIS A CA 1 O49373 UNP 336 H +ATOM 2724 C C . HIS A 1 336 ? -27.175 -6.579 2.949 1.0 92.71 ? 336 HIS A C 1 O49373 UNP 336 H +ATOM 2725 C CB . HIS A 1 336 ? -27.419 -4.177 3.462 1.0 92.71 ? 336 HIS A CB 1 O49373 UNP 336 H +ATOM 2726 O O . HIS A 1 336 ? -27.297 -7.415 3.839 1.0 92.71 ? 336 HIS A O 1 O49373 UNP 336 H +ATOM 2727 C CG . HIS A 1 336 ? -26.809 -2.969 4.088 1.0 92.71 ? 336 HIS A CG 1 O49373 UNP 336 H +ATOM 2728 C CD2 . HIS A 1 336 ? -26.963 -1.688 3.650 1.0 92.71 ? 336 HIS A CD2 1 O49373 UNP 336 H +ATOM 2729 N ND1 . HIS A 1 336 ? -25.920 -2.949 5.136 1.0 92.71 ? 336 HIS A ND1 1 O49373 UNP 336 H +ATOM 2730 C CE1 . HIS A 1 336 ? -25.476 -1.690 5.250 1.0 92.71 ? 336 HIS A CE1 1 O49373 UNP 336 H +ATOM 2731 N NE2 . HIS A 1 336 ? -26.137 -0.880 4.421 1.0 92.71 ? 336 HIS A NE2 1 O49373 UNP 336 H +ATOM 2732 N N . GLN A 1 337 ? -27.662 -6.755 1.720 1.0 93.53 ? 337 GLN A N 1 O49373 UNP 337 Q +ATOM 2733 C CA . GLN A 1 337 ? -28.336 -7.986 1.328 1.0 93.53 ? 337 GLN A CA 1 O49373 UNP 337 Q +ATOM 2734 C C . GLN A 1 337 ? -27.414 -9.201 1.520 1.0 93.53 ? 337 GLN A C 1 O49373 UNP 337 Q +ATOM 2735 C CB . GLN A 1 337 ? -28.816 -7.843 -0.121 1.0 93.53 ? 337 GLN A CB 1 O49373 UNP 337 Q +ATOM 2736 O O . GLN A 1 337 ? -27.829 -10.195 2.111 1.0 93.53 ? 337 GLN A O 1 O49373 UNP 337 Q +ATOM 2737 C CG . GLN A 1 337 ? -29.633 -9.062 -0.565 1.0 93.53 ? 337 GLN A CG 1 O49373 UNP 337 Q +ATOM 2738 C CD . GLN A 1 337 ? -30.105 -8.974 -2.011 1.0 93.53 ? 337 GLN A CD 1 O49373 UNP 337 Q +ATOM 2739 N NE2 . GLN A 1 337 ? -30.795 -9.984 -2.491 1.0 93.53 ? 337 GLN A NE2 1 O49373 UNP 337 Q +ATOM 2740 O OE1 . GLN A 1 337 ? -29.864 -8.025 -2.740 1.0 93.53 ? 337 GLN A OE1 1 O49373 UNP 337 Q +ATOM 2741 N N . GLU A 1 338 ? -26.155 -9.107 1.083 1.0 93.75 ? 338 GLU A N 1 O49373 UNP 338 E +ATOM 2742 C CA . GLU A 1 338 ? -25.155 -10.161 1.277 1.0 93.75 ? 338 GLU A CA 1 O49373 UNP 338 E +ATOM 2743 C C . GLU A 1 338 ? -24.876 -10.442 2.762 1.0 93.75 ? 338 GLU A C 1 O49373 UNP 338 E +ATOM 2744 C CB . GLU A 1 338 ? -23.861 -9.779 0.538 1.0 93.75 ? 338 GLU A CB 1 O49373 UNP 338 E +ATOM 2745 O O . GLU A 1 338 ? -24.807 -11.607 3.163 1.0 93.75 ? 338 GLU A O 1 O49373 UNP 338 E +ATOM 2746 C CG . GLU A 1 338 ? -22.784 -10.848 0.742 1.0 93.75 ? 338 GLU A CG 1 O49373 UNP 338 E +ATOM 2747 C CD . GLU A 1 338 ? -21.521 -10.562 -0.059 1.0 93.75 ? 338 GLU A CD 1 O49373 UNP 338 E +ATOM 2748 O OE1 . GLU A 1 338 ? -21.251 -11.340 -0.995 1.0 93.75 ? 338 GLU A OE1 1 O49373 UNP 338 E +ATOM 2749 O OE2 . GLU A 1 338 ? -20.767 -9.618 0.275 1.0 93.75 ? 338 GLU A OE2 1 O49373 UNP 338 E +ATOM 2750 N N . ILE A 1 339 ? -24.726 -9.397 3.580 1.0 90.39 ? 339 ILE A N 1 O49373 UNP 339 I +ATOM 2751 C CA . ILE A 1 339 ? -24.485 -9.522 5.020 1.0 90.39 ? 339 ILE A CA 1 O49373 UNP 339 I +ATOM 2752 C C . ILE A 1 339 ? -25.676 -10.202 5.691 1.0 90.39 ? 339 ILE A C 1 O49373 UNP 339 I +ATOM 2753 C CB . ILE A 1 339 ? -24.150 -8.152 5.656 1.0 90.39 ? 339 ILE A CB 1 O49373 UNP 339 I +ATOM 2754 O O . ILE A 1 339 ? -25.462 -11.162 6.424 1.0 90.39 ? 339 ILE A O 1 O49373 UNP 339 I +ATOM 2755 C CG1 . ILE A 1 339 ? -22.736 -7.710 5.215 1.0 90.39 ? 339 ILE A CG1 1 O49373 UNP 339 I +ATOM 2756 C CG2 . ILE A 1 339 ? -24.218 -8.202 7.198 1.0 90.39 ? 339 ILE A CG2 1 O49373 UNP 339 I +ATOM 2757 C CD1 . ILE A 1 339 ? -22.382 -6.268 5.607 1.0 90.39 ? 339 ILE A CD1 1 O49373 UNP 339 I +ATOM 2758 N N . ASN A 1 340 ? -26.909 -9.771 5.430 1.0 86.43 ? 340 ASN A N 1 O49373 UNP 340 N +ATOM 2759 C CA . ASN A 1 340 ? -28.099 -10.341 6.066 1.0 86.43 ? 340 ASN A CA 1 O49373 UNP 340 N +ATOM 2760 C C . ASN A 1 340 ? -28.245 -11.835 5.730 1.0 86.43 ? 340 ASN A C 1 O49373 UNP 340 N +ATOM 2761 C CB . ASN A 1 340 ? -29.331 -9.513 5.661 1.0 86.43 ? 340 ASN A CB 1 O49373 UNP 340 N +ATOM 2762 O O . ASN A 1 340 ? -28.366 -12.658 6.631 1.0 86.43 ? 340 ASN A O 1 O49373 UNP 340 N +ATOM 2763 C CG . ASN A 1 340 ? -29.330 -8.102 6.233 1.0 86.43 ? 340 ASN A CG 1 O49373 UNP 340 N +ATOM 2764 N ND2 . ASN A 1 340 ? -30.234 -7.263 5.780 1.0 86.43 ? 340 ASN A ND2 1 O49373 UNP 340 N +ATOM 2765 O OD1 . ASN A 1 340 ? -28.542 -7.718 7.083 1.0 86.43 ? 340 ASN A OD1 1 O49373 UNP 340 N +ATOM 2766 N N . ILE A 1 341 ? -28.084 -12.213 4.454 1.0 85.21 ? 341 ILE A N 1 O49373 UNP 341 I +ATOM 2767 C CA . ILE A 1 341 ? -28.162 -13.618 4.013 1.0 85.21 ? 341 ILE A CA 1 O49373 UNP 341 I +ATOM 2768 C C . ILE A 1 341 ? -27.103 -14.499 4.697 1.0 85.21 ? 341 ILE A C 1 O49373 UNP 341 I +ATOM 2769 C CB . ILE A 1 341 ? -28.044 -13.688 2.469 1.0 85.21 ? 341 ILE A CB 1 O49373 UNP 341 I +ATOM 2770 O O . ILE A 1 341 ? -27.392 -15.630 5.084 1.0 85.21 ? 341 ILE A O 1 O49373 UNP 341 I +ATOM 2771 C CG1 . ILE A 1 341 ? -29.294 -13.062 1.808 1.0 85.21 ? 341 ILE A CG1 1 O49373 UNP 341 I +ATOM 2772 C CG2 . ILE A 1 341 ? -27.866 -15.136 1.969 1.0 85.21 ? 341 ILE A CG2 1 O49373 UNP 341 I +ATOM 2773 C CD1 . ILE A 1 341 ? -29.134 -12.797 0.304 1.0 85.21 ? 341 ILE A CD1 1 O49373 UNP 341 I +ATOM 2774 N N . ASN A 1 342 ? -25.868 -14.006 4.839 1.0 78.39 ? 342 ASN A N 1 O49373 UNP 342 N +ATOM 2775 C CA . ASN A 1 342 ? -24.751 -14.823 5.325 1.0 78.39 ? 342 ASN A CA 1 O49373 UNP 342 N +ATOM 2776 C C . ASN A 1 342 ? -24.524 -14.747 6.843 1.0 78.39 ? 342 ASN A C 1 O49373 UNP 342 N +ATOM 2777 C CB . ASN A 1 342 ? -23.482 -14.448 4.549 1.0 78.39 ? 342 ASN A CB 1 O49373 UNP 342 N +ATOM 2778 O O . ASN A 1 342 ? -23.919 -15.662 7.403 1.0 78.39 ? 342 ASN A O 1 O49373 UNP 342 N +ATOM 2779 C CG . ASN A 1 342 ? -23.533 -14.928 3.113 1.0 78.39 ? 342 ASN A CG 1 O49373 UNP 342 N +ATOM 2780 N ND2 . ASN A 1 342 ? -23.623 -14.027 2.167 1.0 78.39 ? 342 ASN A ND2 1 O49373 UNP 342 N +ATOM 2781 O OD1 . ASN A 1 342 ? -23.480 -16.115 2.836 1.0 78.39 ? 342 ASN A OD1 1 O49373 UNP 342 N +ATOM 2782 N N . THR A 1 343 ? -24.975 -13.683 7.517 1.0 66.52 ? 343 THR A N 1 O49373 UNP 343 T +ATOM 2783 C CA . THR A 1 343 ? -24.754 -13.480 8.962 1.0 66.52 ? 343 THR A CA 1 O49373 UNP 343 T +ATOM 2784 C C . THR A 1 343 ? -25.965 -13.803 9.835 1.0 66.52 ? 343 THR A C 1 O49373 UNP 343 T +ATOM 2785 C CB . THR A 1 343 ? -24.183 -12.098 9.318 1.0 66.52 ? 343 THR A CB 1 O49373 UNP 343 T +ATOM 2786 O O . THR A 1 343 ? -25.781 -14.022 11.029 1.0 66.52 ? 343 THR A O 1 O49373 UNP 343 T +ATOM 2787 C CG2 . THR A 1 343 ? -22.836 -11.810 8.657 1.0 66.52 ? 343 THR A CG2 1 O49373 UNP 343 T +ATOM 2788 O OG1 . THR A 1 343 ? -25.052 -11.045 8.997 1.0 66.52 ? 343 THR A OG1 1 O49373 UNP 343 T +ATOM 2789 N N . ASP A 1 344 ? -27.176 -13.964 9.292 1.0 53.01 ? 344 ASP A N 1 O49373 UNP 344 D +ATOM 2790 C CA . ASP A 1 344 ? -28.299 -14.518 10.075 1.0 53.01 ? 344 ASP A CA 1 O49373 UNP 344 D +ATOM 2791 C C . ASP A 1 344 ? -28.050 -15.977 10.510 1.0 53.01 ? 344 ASP A C 1 O49373 UNP 344 D +ATOM 2792 C CB . ASP A 1 344 ? -29.621 -14.353 9.307 1.0 53.01 ? 344 ASP A CB 1 O49373 UNP 344 D +ATOM 2793 O O . ASP A 1 344 ? -28.599 -16.451 11.504 1.0 53.01 ? 344 ASP A O 1 O49373 UNP 344 D +ATOM 2794 C CG . ASP A 1 344 ? -30.173 -12.919 9.367 1.0 53.01 ? 344 ASP A CG 1 O49373 UNP 344 D +ATOM 2795 O OD1 . ASP A 1 344 ? -29.753 -12.162 10.279 1.0 53.01 ? 344 ASP A OD1 1 O49373 UNP 344 D +ATOM 2796 O OD2 . ASP A 1 344 ? -31.043 -12.605 8.527 1.0 53.01 ? 344 ASP A OD2 1 O49373 UNP 344 D +ATOM 2797 N N . LEU A 1 345 ? -27.105 -16.664 9.863 1.0 44.15 ? 345 LEU A N 1 O49373 UNP 345 L +ATOM 2798 C CA . LEU A 1 345 ? -26.615 -17.986 10.263 1.0 44.15 ? 345 LEU A CA 1 O49373 UNP 345 L +ATOM 2799 C C . LEU A 1 345 ? -25.704 -17.962 11.520 1.0 44.15 ? 345 LEU A C 1 O49373 UNP 345 L +ATOM 2800 C CB . LEU A 1 345 ? -25.918 -18.621 9.038 1.0 44.15 ? 345 LEU A CB 1 O49373 UNP 345 L +ATOM 2801 O O . LEU A 1 345 ? -25.253 -19.018 11.961 1.0 44.15 ? 345 LEU A O 1 O49373 UNP 345 L +ATOM 2802 C CG . LEU A 1 345 ? -26.861 -18.923 7.851 1.0 44.15 ? 345 LEU A CG 1 O49373 UNP 345 L +ATOM 2803 C CD1 . LEU A 1 345 ? -26.044 -19.234 6.595 1.0 44.15 ? 345 LEU A CD1 1 O49373 UNP 345 L +ATOM 2804 C CD2 . LEU A 1 345 ? -27.764 -20.126 8.137 1.0 44.15 ? 345 LEU A CD2 1 O49373 UNP 345 L +ATOM 2805 N N . SER A 1 346 ? -25.401 -16.794 12.116 1.0 44.21 ? 346 SER A N 1 O49373 UNP 346 S +ATOM 2806 C CA . SER A 1 346 ? -24.240 -16.606 13.007 1.0 44.21 ? 346 SER A CA 1 O49373 UNP 346 S +ATOM 2807 C C . SER A 1 346 ? -24.519 -16.266 14.483 1.0 44.21 ? 346 SER A C 1 O49373 UNP 346 S +ATOM 2808 C CB . SER A 1 346 ? -23.221 -15.643 12.374 1.0 44.21 ? 346 SER A CB 1 O49373 UNP 346 S +ATOM 2809 O O . SER A 1 346 ? -23.729 -15.542 15.093 1.0 44.21 ? 346 SER A O 1 O49373 UNP 346 S +ATOM 2810 O OG . SER A 1 346 ? -23.486 -14.289 12.676 1.0 44.21 ? 346 SER A OG 1 O49373 UNP 346 S +ATOM 2811 N N . ARG A 1 347 ? -25.555 -16.819 15.130 1.0 45.86 ? 347 ARG A N 1 O49373 UNP 347 R +ATOM 2812 C CA . ARG A 1 347 ? -25.544 -16.850 16.614 1.0 45.86 ? 347 ARG A CA 1 O49373 UNP 347 R +ATOM 2813 C C . ARG A 1 347 ? -24.517 -17.847 17.189 1.0 45.86 ? 347 ARG A C 1 O49373 UNP 347 R +ATOM 2814 C CB . ARG A 1 347 ? -26.963 -16.975 17.214 1.0 45.86 ? 347 ARG A CB 1 O49373 UNP 347 R +ATOM 2815 O O . ARG A 1 347 ? -24.223 -17.757 18.376 1.0 45.86 ? 347 ARG A O 1 O49373 UNP 347 R +ATOM 2816 C CG . ARG A 1 347 ? -27.495 -15.597 17.661 1.0 45.86 ? 347 ARG A CG 1 O49373 UNP 347 R +ATOM 2817 C CD . ARG A 1 347 ? -28.878 -15.686 18.326 1.0 45.86 ? 347 ARG A CD 1 O49373 UNP 347 R +ATOM 2818 N NE . ARG A 1 347 ? -29.217 -14.445 19.058 1.0 45.86 ? 347 ARG A NE 1 O49373 UNP 347 R +ATOM 2819 N NH1 . ARG A 1 347 ? -31.357 -15.014 19.675 1.0 45.86 ? 347 ARG A NH1 1 O49373 UNP 347 R +ATOM 2820 N NH2 . ARG A 1 347 ? -30.503 -13.068 20.348 1.0 45.86 ? 347 ARG A NH2 1 O49373 UNP 347 R +ATOM 2821 C CZ . ARG A 1 347 ? -30.352 -14.183 19.688 1.0 45.86 ? 347 ARG A CZ 1 O49373 UNP 347 R +ATOM 2822 N N . THR A 1 348 ? -23.935 -18.746 16.380 1.0 45.04 ? 348 THR A N 1 O49373 UNP 348 T +ATOM 2823 C CA . THR A 1 348 ? -23.041 -19.825 16.870 1.0 45.04 ? 348 THR A CA 1 O49373 UNP 348 T +ATOM 2824 C C . THR A 1 348 ? -21.812 -20.177 15.998 1.0 45.04 ? 348 THR A C 1 O49373 UNP 348 T +ATOM 2825 C CB . THR A 1 348 ? -23.862 -21.107 17.115 1.0 45.04 ? 348 THR A CB 1 O49373 UNP 348 T +ATOM 2826 O O . THR A 1 348 ? -21.023 -21.022 16.413 1.0 45.04 ? 348 THR A O 1 O49373 UNP 348 T +ATOM 2827 C CG2 . THR A 1 348 ? -24.888 -20.965 18.242 1.0 45.04 ? 348 THR A CG2 1 O49373 UNP 348 T +ATOM 2828 O OG1 . THR A 1 348 ? -24.583 -21.429 15.947 1.0 45.04 ? 348 THR A OG1 1 O49373 UNP 348 T +ATOM 2829 N N . GLY A 1 349 ? -21.600 -19.571 14.818 1.0 48.49 ? 349 GLY A N 1 O49373 UNP 349 G +ATOM 2830 C CA . GLY A 1 349 ? -20.534 -19.969 13.867 1.0 48.49 ? 349 GLY A CA 1 O49373 UNP 349 G +ATOM 2831 C C . GLY A 1 349 ? -19.187 -19.224 13.985 1.0 48.49 ? 349 GLY A C 1 O49373 UNP 349 G +ATOM 2832 O O . GLY A 1 349 ? -19.137 -18.082 14.439 1.0 48.49 ? 349 GLY A O 1 O49373 UNP 349 G +ATOM 2833 N N . ASN A 1 350 ? -18.099 -19.859 13.522 1.0 58.48 ? 350 ASN A N 1 O49373 UNP 350 N +ATOM 2834 C CA . ASN A 1 350 ? -16.735 -19.305 13.452 1.0 58.48 ? 350 ASN A CA 1 O49373 UNP 350 N +ATOM 2835 C C . ASN A 1 350 ? -16.677 -18.065 12.530 1.0 58.48 ? 350 ASN A C 1 O49373 UNP 350 N +ATOM 2836 C CB . ASN A 1 350 ? -15.802 -20.439 12.968 1.0 58.48 ? 350 ASN A CB 1 O49373 UNP 350 N +ATOM 2837 O O . ASN A 1 350 ? -17.087 -18.130 11.371 1.0 58.48 ? 350 ASN A O 1 O49373 UNP 350 N +ATOM 2838 C CG . ASN A 1 350 ? -14.319 -20.102 12.948 1.0 58.48 ? 350 ASN A CG 1 O49373 UNP 350 N +ATOM 2839 N ND2 . ASN A 1 350 ? -13.501 -21.032 12.513 1.0 58.48 ? 350 ASN A ND2 1 O49373 UNP 350 N +ATOM 2840 O OD1 . ASN A 1 350 ? -13.876 -19.022 13.306 1.0 58.48 ? 350 ASN A OD1 1 O49373 UNP 350 N +ATOM 2841 N N . SER A 1 351 ? -16.152 -16.936 13.021 1.0 64.68 ? 351 SER A N 1 O49373 UNP 351 S +ATOM 2842 C CA . SER A 1 351 ? -16.135 -15.651 12.300 1.0 64.68 ? 351 SER A CA 1 O49373 UNP 351 S +ATOM 2843 C C . SER A 1 351 ? -15.439 -15.725 10.937 1.0 64.68 ? 351 SER A C 1 O49373 UNP 351 S +ATOM 2844 C CB . SER A 1 351 ? -15.459 -14.571 13.157 1.0 64.68 ? 351 SER A CB 1 O49373 UNP 351 S +ATOM 2845 O O . SER A 1 351 ? -15.892 -15.084 9.990 1.0 64.68 ? 351 SER A O 1 O49373 UNP 351 S +ATOM 2846 O OG . SER A 1 351 ? -14.165 -14.988 13.555 1.0 64.68 ? 351 SER A OG 1 O49373 UNP 351 S +ATOM 2847 N N . GLN A 1 352 ? -14.384 -16.536 10.808 1.0 62.83 ? 352 GLN A N 1 O49373 UNP 352 Q +ATOM 2848 C CA . GLN A 1 352 ? -13.618 -16.662 9.565 1.0 62.83 ? 352 GLN A CA 1 O49373 UNP 352 Q +ATOM 2849 C C . GLN A 1 352 ? -14.452 -17.254 8.416 1.0 62.83 ? 352 GLN A C 1 O49373 UNP 352 Q +ATOM 2850 C CB . GLN A 1 352 ? -12.355 -17.495 9.843 1.0 62.83 ? 352 GLN A CB 1 O49373 UNP 352 Q +ATOM 2851 O O . GLN A 1 352 ? -14.463 -16.698 7.320 1.0 62.83 ? 352 GLN A O 1 O49373 UNP 352 Q +ATOM 2852 C CG . GLN A 1 352 ? -11.392 -17.547 8.645 1.0 62.83 ? 352 GLN A CG 1 O49373 UNP 352 Q +ATOM 2853 C CD . GLN A 1 352 ? -10.873 -16.171 8.232 1.0 62.83 ? 352 GLN A CD 1 O49373 UNP 352 Q +ATOM 2854 N NE2 . GLN A 1 352 ? -10.943 -15.825 6.964 1.0 62.83 ? 352 GLN A NE2 1 O49373 UNP 352 Q +ATOM 2855 O OE1 . GLN A 1 352 ? -10.406 -15.385 9.044 1.0 62.83 ? 352 GLN A OE1 1 O49373 UNP 352 Q +ATOM 2856 N N . GLU A 1 353 ? -15.205 -18.329 8.672 1.0 65.27 ? 353 GLU A N 1 O49373 UNP 353 E +ATOM 2857 C CA . GLU A 1 353 ? -16.027 -18.997 7.648 1.0 65.27 ? 353 GLU A CA 1 O49373 UNP 353 E +ATOM 2858 C C . GLU A 1 353 ? -17.141 -18.086 7.118 1.0 65.27 ? 353 GLU A C 1 O49373 UNP 353 E +ATOM 2859 C CB . GLU A 1 353 ? -16.671 -20.261 8.233 1.0 65.27 ? 353 GLU A CB 1 O49373 UNP 353 E +ATOM 2860 O O . GLU A 1 353 ? -17.505 -18.153 5.944 1.0 65.27 ? 353 GLU A O 1 O49373 UNP 353 E +ATOM 2861 C CG . GLU A 1 353 ? -15.656 -21.380 8.502 1.0 65.27 ? 353 GLU A CG 1 O49373 UNP 353 E +ATOM 2862 C CD . GLU A 1 353 ? -16.293 -22.616 9.155 1.0 65.27 ? 353 GLU A CD 1 O49373 UNP 353 E +ATOM 2863 O OE1 . GLU A 1 353 ? -15.504 -23.470 9.618 1.0 65.27 ? 353 GLU A OE1 1 O49373 UNP 353 E +ATOM 2864 O OE2 . GLU A 1 353 ? -17.541 -22.679 9.240 1.0 65.27 ? 353 GLU A OE2 1 O49373 UNP 353 E +ATOM 2865 N N . ASN A 1 354 ? -17.666 -17.203 7.970 1.0 73.31 ? 354 ASN A N 1 O49373 UNP 354 N +ATOM 2866 C CA . ASN A 1 354 ? -18.688 -16.236 7.574 1.0 73.31 ? 354 ASN A CA 1 O49373 UNP 354 N +ATOM 2867 C C . ASN A 1 354 ? -18.101 -15.146 6.673 1.0 73.31 ? 354 ASN A C 1 O49373 UNP 354 N +ATOM 2868 C CB . ASN A 1 354 ? -19.331 -15.646 8.838 1.0 73.31 ? 354 ASN A CB 1 O49373 UNP 354 N +ATOM 2869 O O . ASN A 1 354 ? -18.706 -14.771 5.672 1.0 73.31 ? 354 ASN A O 1 O49373 UNP 354 N +ATOM 2870 C CG . ASN A 1 354 ? -20.093 -16.685 9.641 1.0 73.31 ? 354 ASN A CG 1 O49373 UNP 354 N +ATOM 2871 N ND2 . ASN A 1 354 ? -20.246 -16.470 10.926 1.0 73.31 ? 354 ASN A ND2 1 O49373 UNP 354 N +ATOM 2872 O OD1 . ASN A 1 354 ? -20.558 -17.695 9.138 1.0 73.31 ? 354 ASN A OD1 1 O49373 UNP 354 N +ATOM 2873 N N . VAL A 1 355 ? -16.900 -14.665 6.999 1.0 80.89 ? 355 VAL A N 1 O49373 UNP 355 V +ATOM 2874 C CA . VAL A 1 355 ? -16.197 -13.619 6.244 1.0 80.89 ? 355 VAL A CA 1 O49373 UNP 355 V +ATOM 2875 C C . VAL A 1 355 ? -15.808 -14.096 4.839 1.0 80.89 ? 355 VAL A C 1 O49373 UNP 355 V +ATOM 2876 C CB . VAL A 1 355 ? -14.975 -13.162 7.065 1.0 80.89 ? 355 VAL A CB 1 O49373 UNP 355 V +ATOM 2877 O O . VAL A 1 355 ? -15.828 -13.305 3.886 1.0 80.89 ? 355 VAL A O 1 O49373 UNP 355 V +ATOM 2878 C CG1 . VAL A 1 355 ? -14.042 -12.225 6.304 1.0 80.89 ? 355 VAL A CG1 1 O49373 UNP 355 V +ATOM 2879 C CG2 . VAL A 1 355 ? -15.426 -12.381 8.307 1.0 80.89 ? 355 VAL A CG2 1 O49373 UNP 355 V +ATOM 2880 N N . ASP A 1 356 ? -15.501 -15.383 4.679 1.0 82.94 ? 356 ASP A N 1 O49373 UNP 356 D +ATOM 2881 C CA . ASP A 1 356 ? -15.123 -15.974 3.392 1.0 82.94 ? 356 ASP A CA 1 O49373 UNP 356 D +ATOM 2882 C C . ASP A 1 356 ? -16.295 -16.042 2.396 1.0 82.94 ? 356 ASP A C 1 O49373 UNP 356 D +ATOM 2883 C CB . ASP A 1 356 ? -14.469 -17.346 3.631 1.0 82.94 ? 356 ASP A CB 1 O49373 UNP 356 D +ATOM 2884 O O . ASP A 1 356 ? -16.072 -15.917 1.191 1.0 82.94 ? 356 ASP A O 1 O49373 UNP 356 D +ATOM 2885 C CG . ASP A 1 356 ? -13.083 -17.238 4.292 1.0 82.94 ? 356 ASP A CG 1 O49373 UNP 356 D +ATOM 2886 O OD1 . ASP A 1 356 ? -12.445 -16.160 4.189 1.0 82.94 ? 356 ASP A OD1 1 O49373 UNP 356 D +ATOM 2887 O OD2 . ASP A 1 356 ? -12.626 -18.240 4.880 1.0 82.94 ? 356 ASP A OD2 1 O49373 UNP 356 D +ATOM 2888 N N . LYS A 1 357 ? -17.543 -16.117 2.883 1.0 87.21 ? 357 LYS A N 1 O49373 UNP 357 K +ATOM 2889 C CA . LYS A 1 357 ? -18.767 -16.125 2.055 1.0 87.21 ? 357 LYS A CA 1 O49373 UNP 357 K +ATOM 2890 C C . LYS A 1 357 ? -19.168 -14.752 1.503 1.0 87.21 ? 357 LYS A C 1 O49373 UNP 357 K +ATOM 2891 C CB . LYS A 1 357 ? -19.933 -16.721 2.859 1.0 87.21 ? 357 LYS A CB 1 O49373 UNP 357 K +ATOM 2892 O O . LYS A 1 357 ? -20.015 -14.680 0.620 1.0 87.21 ? 357 LYS A O 1 O49373 UNP 357 K +ATOM 2893 C CG . LYS A 1 357 ? -19.718 -18.201 3.202 1.0 87.21 ? 357 LYS A CG 1 O49373 UNP 357 K +ATOM 2894 C CD . LYS A 1 357 ? -20.835 -18.694 4.126 1.0 87.21 ? 357 LYS A CD 1 O49373 UNP 357 K +ATOM 2895 C CE . LYS A 1 357 ? -20.538 -20.123 4.586 1.0 87.21 ? 357 LYS A CE 1 O49373 UNP 357 K +ATOM 2896 N NZ . LYS A 1 357 ? -21.507 -20.561 5.618 1.0 87.21 ? 357 LYS A NZ 1 O49373 UNP 357 K +ATOM 2897 N N . LEU A 1 358 ? -18.566 -13.667 1.997 1.0 94.17 ? 358 LEU A N 1 O49373 UNP 358 L +ATOM 2898 C CA . LEU A 1 358 ? -18.871 -12.294 1.571 1.0 94.17 ? 358 LEU A CA 1 O49373 UNP 358 L +ATOM 2899 C C . LEU A 1 358 ? -18.126 -11.958 0.267 1.0 94.17 ? 358 LEU A C 1 O49373 UNP 358 L +ATOM 2900 C CB . LEU A 1 358 ? -18.560 -11.308 2.711 1.0 94.17 ? 358 LEU A CB 1 O49373 UNP 358 L +ATOM 2901 O O . LEU A 1 358 ? -17.037 -11.366 0.288 1.0 94.17 ? 358 LEU A O 1 O49373 UNP 358 L +ATOM 2902 C CG . LEU A 1 358 ? -19.240 -11.617 4.054 1.0 94.17 ? 358 LEU A CG 1 O49373 UNP 358 L +ATOM 2903 C CD1 . LEU A 1 358 ? -18.729 -10.647 5.113 1.0 94.17 ? 358 LEU A CD1 1 O49373 UNP 358 L +ATOM 2904 C CD2 . LEU A 1 358 ? -20.762 -11.495 3.986 1.0 94.17 ? 358 LEU A CD2 1 O49373 UNP 358 L +ATOM 2905 N N . VAL A 1 359 ? -18.663 -12.427 -0.858 1.0 95.51 ? 359 VAL A N 1 O49373 UNP 359 V +ATOM 2906 C CA . VAL A 1 359 ? -18.076 -12.332 -2.201 1.0 95.51 ? 359 VAL A CA 1 O49373 UNP 359 V +ATOM 2907 C C . VAL A 1 359 ? -18.210 -10.921 -2.775 1.0 95.51 ? 359 VAL A C 1 O49373 UNP 359 V +ATOM 2908 C CB . VAL A 1 359 ? -18.727 -13.372 -3.139 1.0 95.51 ? 359 VAL A CB 1 O49373 UNP 359 V +ATOM 2909 O O . VAL A 1 359 ? -17.230 -10.361 -3.269 1.0 95.51 ? 359 VAL A O 1 O49373 UNP 359 V +ATOM 2910 C CG1 . VAL A 1 359 ? -18.238 -13.205 -4.580 1.0 95.51 ? 359 VAL A CG1 1 O49373 UNP 359 V +ATOM 2911 C CG2 . VAL A 1 359 ? -18.402 -14.804 -2.696 1.0 95.51 ? 359 VAL A CG2 1 O49373 UNP 359 V +ATOM 2912 N N . TYR A 1 360 ? -19.382 -10.304 -2.669 1.0 97.74 ? 360 TYR A N 1 O49373 UNP 360 Y +ATOM 2913 C CA . TYR A 1 360 ? -19.643 -8.954 -3.155 1.0 97.74 ? 360 TYR A CA 1 O49373 UNP 360 Y +ATOM 2914 C C . TYR A 1 360 ? -18.871 -7.907 -2.345 1.0 97.74 ? 360 TYR A C 1 O49373 UNP 360 Y +ATOM 2915 C CB . TYR A 1 360 ? -21.152 -8.691 -3.165 1.0 97.74 ? 360 TYR A CB 1 O49373 UNP 360 Y +ATOM 2916 O O . TYR A 1 360 ? -18.215 -7.044 -2.931 1.0 97.74 ? 360 TYR A O 1 O49373 UNP 360 Y +ATOM 2917 C CG . TYR A 1 360 ? -21.512 -7.453 -3.956 1.0 97.74 ? 360 TYR A CG 1 O49373 UNP 360 Y +ATOM 2918 C CD1 . TYR A 1 360 ? -21.747 -6.238 -3.292 1.0 97.74 ? 360 TYR A CD1 1 O49373 UNP 360 Y +ATOM 2919 C CD2 . TYR A 1 360 ? -21.562 -7.509 -5.362 1.0 97.74 ? 360 TYR A CD2 1 O49373 UNP 360 Y +ATOM 2920 C CE1 . TYR A 1 360 ? -22.010 -5.072 -4.033 1.0 97.74 ? 360 TYR A CE1 1 O49373 UNP 360 Y +ATOM 2921 C CE2 . TYR A 1 360 ? -21.821 -6.343 -6.107 1.0 97.74 ? 360 TYR A CE2 1 O49373 UNP 360 Y +ATOM 2922 O OH . TYR A 1 360 ? -22.252 -3.977 -6.152 1.0 97.74 ? 360 TYR A OH 1 O49373 UNP 360 Y +ATOM 2923 C CZ . TYR A 1 360 ? -22.028 -5.115 -5.443 1.0 97.74 ? 360 TYR A CZ 1 O49373 UNP 360 Y +ATOM 2924 N N . LEU A 1 361 ? -18.830 -8.030 -1.013 1.0 97.95 ? 361 LEU A N 1 O49373 UNP 361 L +ATOM 2925 C CA . LEU A 1 361 ? -17.974 -7.200 -0.160 1.0 97.95 ? 361 LEU A CA 1 O49373 UNP 361 L +ATOM 2926 C C . LEU A 1 361 ? -16.488 -7.369 -0.508 1.0 97.95 ? 361 LEU A C 1 O49373 UNP 361 L +ATOM 2927 C CB . LEU A 1 361 ? -18.231 -7.557 1.313 1.0 97.95 ? 361 LEU A CB 1 O49373 UNP 361 L +ATOM 2928 O O . LEU A 1 361 ? -15.747 -6.386 -0.539 1.0 97.95 ? 361 LEU A O 1 O49373 UNP 361 L +ATOM 2929 C CG . LEU A 1 361 ? -17.360 -6.784 2.322 1.0 97.95 ? 361 LEU A CG 1 O49373 UNP 361 L +ATOM 2930 C CD1 . LEU A 1 361 ? -17.561 -5.275 2.242 1.0 97.95 ? 361 LEU A CD1 1 O49373 UNP 361 L +ATOM 2931 C CD2 . LEU A 1 361 ? -17.677 -7.240 3.744 1.0 97.95 ? 361 LEU A CD2 1 O49373 UNP 361 L +ATOM 2932 N N . HIS A 1 362 ? -16.038 -8.597 -0.801 1.0 97.78 ? 362 HIS A N 1 O49373 UNP 362 H +ATOM 2933 C CA . HIS A 1 362 ? -14.671 -8.829 -1.281 1.0 97.78 ? 362 HIS A CA 1 O49373 UNP 362 H +ATOM 2934 C C . HIS A 1 362 ? -14.405 -8.051 -2.573 1.0 97.78 ? 362 HIS A C 1 O49373 UNP 362 H +ATOM 2935 C CB . HIS A 1 362 ? -14.423 -10.326 -1.515 1.0 97.78 ? 362 HIS A CB 1 O49373 UNP 362 H +ATOM 2936 O O . HIS A 1 362 ? -13.400 -7.347 -2.668 1.0 97.78 ? 362 HIS A O 1 O49373 UNP 362 H +ATOM 2937 C CG . HIS A 1 362 ? -12.982 -10.677 -1.777 1.0 97.78 ? 362 HIS A CG 1 O49373 UNP 362 H +ATOM 2938 C CD2 . HIS A 1 362 ? -12.277 -10.461 -2.933 1.0 97.78 ? 362 HIS A CD2 1 O49373 UNP 362 H +ATOM 2939 N ND1 . HIS A 1 362 ? -12.156 -11.377 -0.927 1.0 97.78 ? 362 HIS A ND1 1 O49373 UNP 362 H +ATOM 2940 C CE1 . HIS A 1 362 ? -10.989 -11.581 -1.555 1.0 97.78 ? 362 HIS A CE1 1 O49373 UNP 362 H +ATOM 2941 N NE2 . HIS A 1 362 ? -11.006 -11.032 -2.775 1.0 97.78 ? 362 HIS A NE2 1 O49373 UNP 362 H +ATOM 2942 N N . GLY A 1 363 ? -15.317 -8.152 -3.542 1.0 98.18 ? 363 GLY A N 1 O49373 UNP 363 G +ATOM 2943 C CA . GLY A 1 363 ? -15.231 -7.426 -4.804 1.0 98.18 ? 363 GLY A CA 1 O49373 UNP 363 G +ATOM 2944 C C . GLY A 1 363 ? -15.213 -5.912 -4.615 1.0 98.18 ? 363 GLY A C 1 O49373 UNP 363 G +ATOM 2945 O O . GLY A 1 363 ? -14.396 -5.229 -5.225 1.0 98.18 ? 363 GLY A O 1 O49373 UNP 363 G +ATOM 2946 N N . ALA A 1 364 ? -16.033 -5.381 -3.709 1.0 98.71 ? 364 ALA A N 1 O49373 UNP 364 A +ATOM 2947 C CA . ALA A 1 364 ? -16.076 -3.954 -3.407 1.0 98.71 ? 364 ALA A CA 1 O49373 UNP 364 A +ATOM 2948 C C . ALA A 1 364 ? -14.772 -3.448 -2.759 1.0 98.71 ? 364 ALA A C 1 O49373 UNP 364 A +ATOM 2949 C CB . ALA A 1 364 ? -17.315 -3.690 -2.544 1.0 98.71 ? 364 ALA A CB 1 O49373 UNP 364 A +ATOM 2950 O O . ALA A 1 364 ? -14.280 -2.380 -3.125 1.0 98.71 ? 364 ALA A O 1 O49373 UNP 364 A +ATOM 2951 N N . LEU A 1 365 ? -14.158 -4.228 -1.862 1.0 98.68 ? 365 LEU A N 1 O49373 UNP 365 L +ATOM 2952 C CA . LEU A 1 365 ? -12.838 -3.917 -1.295 1.0 98.68 ? 365 LEU A CA 1 O49373 UNP 365 L +ATOM 2953 C C . LEU A 1 365 ? -11.728 -3.968 -2.357 1.0 98.68 ? 365 LEU A C 1 O49373 UNP 365 L +ATOM 2954 C CB . LEU A 1 365 ? -12.530 -4.899 -0.149 1.0 98.68 ? 365 LEU A CB 1 O49373 UNP 365 L +ATOM 2955 O O . LEU A 1 365 ? -10.882 -3.074 -2.415 1.0 98.68 ? 365 LEU A O 1 O49373 UNP 365 L +ATOM 2956 C CG . LEU A 1 365 ? -13.310 -4.628 1.150 1.0 98.68 ? 365 LEU A CG 1 O49373 UNP 365 L +ATOM 2957 C CD1 . LEU A 1 365 ? -13.157 -5.829 2.086 1.0 98.68 ? 365 LEU A CD1 1 O49373 UNP 365 L +ATOM 2958 C CD2 . LEU A 1 365 ? -12.779 -3.392 1.878 1.0 98.68 ? 365 LEU A CD2 1 O49373 UNP 365 L +ATOM 2959 N N . CYS A 1 366 ? -11.730 -4.987 -3.223 1.0 98.55 ? 366 CYS A N 1 O49373 UNP 366 C +ATOM 2960 C CA . CYS A 1 366 ? -10.796 -5.079 -4.347 1.0 98.55 ? 366 CYS A CA 1 O49373 UNP 366 C +ATOM 2961 C C . CYS A 1 366 ? -10.946 -3.897 -5.308 1.0 98.55 ? 366 CYS A C 1 O49373 UNP 366 C +ATOM 2962 C CB . CYS A 1 366 ? -11.014 -6.407 -5.079 1.0 98.55 ? 366 CYS A CB 1 O49373 UNP 366 C +ATOM 2963 O O . CYS A 1 366 ? -9.946 -3.305 -5.714 1.0 98.55 ? 366 CYS A O 1 O49373 UNP 366 C +ATOM 2964 S SG . CYS A 1 366 ? -10.226 -7.753 -4.156 1.0 98.55 ? 366 CYS A SG 1 O49373 UNP 366 C +ATOM 2965 N N . GLU A 1 367 ? -12.179 -3.503 -5.616 1.0 98.70 ? 367 GLU A N 1 O49373 UNP 367 E +ATOM 2966 C CA . GLU A 1 367 ? -12.471 -2.364 -6.479 1.0 98.70 ? 367 GLU A CA 1 O49373 UNP 367 E +ATOM 2967 C C . GLU A 1 367 ? -12.024 -1.039 -5.855 1.0 98.70 ? 367 GLU A C 1 O49373 UNP 367 E +ATOM 2968 C CB . GLU A 1 367 ? -13.976 -2.358 -6.791 1.0 98.70 ? 367 GLU A CB 1 O49373 UNP 367 E +ATOM 2969 O O . GLU A 1 367 ? -11.424 -0.202 -6.536 1.0 98.70 ? 367 GLU A O 1 O49373 UNP 367 E +ATOM 2970 C CG . GLU A 1 367 ? -14.379 -1.311 -7.830 1.0 98.70 ? 367 GLU A CG 1 O49373 UNP 367 E +ATOM 2971 C CD . GLU A 1 367 ? -13.874 -1.584 -9.246 1.0 98.70 ? 367 GLU A CD 1 O49373 UNP 367 E +ATOM 2972 O OE1 . GLU A 1 367 ? -14.301 -0.854 -10.168 1.0 98.70 ? 367 GLU A OE1 1 O49373 UNP 367 E +ATOM 2973 O OE2 . GLU A 1 367 ? -12.975 -2.428 -9.450 1.0 98.70 ? 367 GLU A OE2 1 O49373 UNP 367 E +ATOM 2974 N N . ALA A 1 368 ? -12.233 -0.873 -4.546 1.0 98.79 ? 368 ALA A N 1 O49373 UNP 368 A +ATOM 2975 C CA . ALA A 1 368 ? -11.769 0.299 -3.816 1.0 98.79 ? 368 ALA A CA 1 O49373 UNP 368 A +ATOM 2976 C C . ALA A 1 368 ? -10.244 0.398 -3.865 1.0 98.79 ? 368 ALA A C 1 O49373 UNP 368 A +ATOM 2977 C CB . ALA A 1 368 ? -12.297 0.252 -2.378 1.0 98.79 ? 368 ALA A CB 1 O49373 UNP 368 A +ATOM 2978 O O . ALA A 1 368 ? -9.708 1.447 -4.210 1.0 98.79 ? 368 ALA A O 1 O49373 UNP 368 A +ATOM 2979 N N . MET A 1 369 ? -9.537 -0.709 -3.627 1.0 98.62 ? 369 MET A N 1 O49373 UNP 369 M +ATOM 2980 C CA . MET A 1 369 ? -8.077 -0.764 -3.721 1.0 98.62 ? 369 MET A CA 1 O49373 UNP 369 M +ATOM 2981 C C . MET A 1 369 ? -7.543 -0.706 -5.157 1.0 98.62 ? 369 MET A C 1 O49373 UNP 369 M +ATOM 2982 C CB . MET A 1 369 ? -7.569 -2.040 -3.052 1.0 98.62 ? 369 MET A CB 1 O49373 UNP 369 M +ATOM 2983 O O . MET A 1 369 ? -6.361 -0.419 -5.335 1.0 98.62 ? 369 MET A O 1 O49373 UNP 369 M +ATOM 2984 C CG . MET A 1 369 ? -7.685 -2.003 -1.529 1.0 98.62 ? 369 MET A CG 1 O49373 UNP 369 M +ATOM 2985 S SD . MET A 1 369 ? -6.922 -3.452 -0.756 1.0 98.62 ? 369 MET A SD 1 O49373 UNP 369 M +ATOM 2986 C CE . MET A 1 369 ? -8.171 -4.695 -1.180 1.0 98.62 ? 369 MET A CE 1 O49373 UNP 369 M +ATOM 2987 N N . ARG A 1 370 ? -8.352 -0.993 -6.185 1.0 98.37 ? 370 ARG A N 1 O49373 UNP 370 R +ATOM 2988 C CA . ARG A 1 370 ? -7.974 -0.789 -7.592 1.0 98.37 ? 370 ARG A CA 1 O49373 UNP 370 R +ATOM 2989 C C . ARG A 1 370 ? -7.934 0.699 -7.906 1.0 98.37 ? 370 ARG A C 1 O49373 UNP 370 R +ATOM 2990 C CB . ARG A 1 370 ? -8.954 -1.537 -8.510 1.0 98.37 ? 370 ARG A CB 1 O49373 UNP 370 R +ATOM 2991 O O . ARG A 1 370 ? -6.958 1.172 -8.481 1.0 98.37 ? 370 ARG A O 1 O49373 UNP 370 R +ATOM 2992 C CG . ARG A 1 370 ? -8.614 -1.409 -10.006 1.0 98.37 ? 370 ARG A CG 1 O49373 UNP 370 R +ATOM 2993 C CD . ARG A 1 370 ? -9.725 -1.966 -10.909 1.0 98.37 ? 370 ARG A CD 1 O49373 UNP 370 R +ATOM 2994 N NE . ARG A 1 370 ? -10.962 -1.170 -10.842 1.0 98.37 ? 370 ARG A NE 1 O49373 UNP 370 R +ATOM 2995 N NH1 . ARG A 1 370 ? -10.450 0.389 -12.424 1.0 98.37 ? 370 ARG A NH1 1 O49373 UNP 370 R +ATOM 2996 N NH2 . ARG A 1 370 ? -12.365 0.555 -11.407 1.0 98.37 ? 370 ARG A NH2 1 O49373 UNP 370 R +ATOM 2997 C CZ . ARG A 1 370 ? -11.254 -0.093 -11.542 1.0 98.37 ? 370 ARG A CZ 1 O49373 UNP 370 R +ATOM 2998 N N . LEU A 1 371 ? -8.970 1.437 -7.507 1.0 98.30 ? 371 LEU A N 1 O49373 UNP 371 L +ATOM 2999 C CA . LEU A 1 371 ? -9.035 2.886 -7.691 1.0 98.30 ? 371 LEU A CA 1 O49373 UNP 371 L +ATOM 3000 C C . LEU A 1 371 ? -8.113 3.631 -6.713 1.0 98.30 ? 371 LEU A C 1 O49373 UNP 371 L +ATOM 3001 C CB . LEU A 1 371 ? -10.494 3.350 -7.545 1.0 98.30 ? 371 LEU A CB 1 O49373 UNP 371 L +ATOM 3002 O O . LEU A 1 371 ? -7.479 4.612 -7.084 1.0 98.30 ? 371 LEU A O 1 O49373 UNP 371 L +ATOM 3003 C CG . LEU A 1 371 ? -11.441 2.885 -8.666 1.0 98.30 ? 371 LEU A CG 1 O49373 UNP 371 L +ATOM 3004 C CD1 . LEU A 1 371 ? -12.854 3.367 -8.350 1.0 98.30 ? 371 LEU A CD1 1 O49373 UNP 371 L +ATOM 3005 C CD2 . LEU A 1 371 ? -11.040 3.455 -10.031 1.0 98.30 ? 371 LEU A CD2 1 O49373 UNP 371 L +ATOM 3006 N N . TYR A 1 372 ? -7.985 3.180 -5.475 1.0 98.29 ? 372 TYR A N 1 O49373 UNP 372 Y +ATOM 3007 C CA . TYR A 1 372 ? -7.174 3.832 -4.449 1.0 98.29 ? 372 TYR A CA 1 O49373 UNP 372 Y +ATOM 3008 C C . TYR A 1 372 ? -6.255 2.809 -3.783 1.0 98.29 ? 372 TYR A C 1 O49373 UNP 372 Y +ATOM 3009 C CB . TYR A 1 372 ? -8.078 4.583 -3.471 1.0 98.29 ? 372 TYR A CB 1 O49373 UNP 372 Y +ATOM 3010 O O . TYR A 1 372 ? -6.480 2.407 -2.640 1.0 98.29 ? 372 TYR A O 1 O49373 UNP 372 Y +ATOM 3011 C CG . TYR A 1 372 ? -8.876 5.683 -4.140 1.0 98.29 ? 372 TYR A CG 1 O49373 UNP 372 Y +ATOM 3012 C CD1 . TYR A 1 372 ? -8.348 6.984 -4.250 1.0 98.29 ? 372 TYR A CD1 1 O49373 UNP 372 Y +ATOM 3013 C CD2 . TYR A 1 372 ? -10.127 5.383 -4.700 1.0 98.29 ? 372 TYR A CD2 1 O49373 UNP 372 Y +ATOM 3014 C CE1 . TYR A 1 372 ? -9.083 7.992 -4.901 1.0 98.29 ? 372 TYR A CE1 1 O49373 UNP 372 Y +ATOM 3015 C CE2 . TYR A 1 372 ? -10.842 6.372 -5.396 1.0 98.29 ? 372 TYR A CE2 1 O49373 UNP 372 Y +ATOM 3016 O OH . TYR A 1 372 ? -11.038 8.644 -6.127 1.0 98.29 ? 372 TYR A OH 1 O49373 UNP 372 Y +ATOM 3017 C CZ . TYR A 1 372 ? -10.336 7.686 -5.470 1.0 98.29 ? 372 TYR A CZ 1 O49373 UNP 372 Y +ATOM 3018 N N . PRO A 1 373 ? -5.216 2.343 -4.501 1.0 98.26 ? 373 PRO A N 1 O49373 UNP 373 P +ATOM 3019 C CA . PRO A 1 373 ? -4.249 1.420 -3.930 1.0 98.26 ? 373 PRO A CA 1 O49373 UNP 373 P +ATOM 3020 C C . PRO A 1 373 ? -3.510 2.117 -2.782 1.0 98.26 ? 373 PRO A C 1 O49373 UNP 373 P +ATOM 3021 C CB . PRO A 1 373 ? -3.315 1.033 -5.079 1.0 98.26 ? 373 PRO A CB 1 O49373 UNP 373 P +ATOM 3022 O O . PRO A 1 373 ? -2.968 3.205 -2.999 1.0 98.26 ? 373 PRO A O 1 O49373 UNP 373 P +ATOM 3023 C CG . PRO A 1 373 ? -3.399 2.226 -6.029 1.0 98.26 ? 373 PRO A CG 1 O49373 UNP 373 P +ATOM 3024 C CD . PRO A 1 373 ? -4.830 2.721 -5.854 1.0 98.26 ? 373 PRO A CD 1 O49373 UNP 373 P +ATOM 3025 N N . PRO A 1 374 ? -3.436 1.511 -1.580 1.0 98.24 ? 374 PRO A N 1 O49373 UNP 374 P +ATOM 3026 C CA . PRO A 1 374 ? -2.804 2.168 -0.441 1.0 98.24 ? 374 PRO A CA 1 O49373 UNP 374 P +ATOM 3027 C C . PRO A 1 374 ? -1.349 2.561 -0.688 1.0 98.24 ? 374 PRO A C 1 O49373 UNP 374 P +ATOM 3028 C CB . PRO A 1 374 ? -2.928 1.185 0.717 1.0 98.24 ? 374 PRO A CB 1 O49373 UNP 374 P +ATOM 3029 O O . PRO A 1 374 ? -0.926 3.630 -0.272 1.0 98.24 ? 374 PRO A O 1 O49373 UNP 374 P +ATOM 3030 C CG . PRO A 1 374 ? -4.190 0.399 0.381 1.0 98.24 ? 374 PRO A CG 1 O49373 UNP 374 P +ATOM 3031 C CD . PRO A 1 374 ? -4.152 0.316 -1.141 1.0 98.24 ? 374 PRO A CD 1 O49373 UNP 374 P +ATOM 3032 N N . VAL A 1 375 ? -0.591 1.737 -1.417 1.0 97.10 ? 375 VAL A N 1 O49373 UNP 375 V +ATOM 3033 C CA . VAL A 1 375 ? 0.733 2.109 -1.931 1.0 97.10 ? 375 VAL A CA 1 O49373 UNP 375 V +ATOM 3034 C C . VAL A 1 375 ? 0.558 2.709 -3.323 1.0 97.10 ? 375 VAL A C 1 O49373 UNP 375 V +ATOM 3035 C CB . VAL A 1 375 ? 1.685 0.903 -1.947 1.0 97.10 ? 375 VAL A CB 1 O49373 UNP 375 V +ATOM 3036 O O . VAL A 1 375 ? 0.111 2.032 -4.248 1.0 97.10 ? 375 VAL A O 1 O49373 UNP 375 V +ATOM 3037 C CG1 . VAL A 1 375 ? 3.038 1.281 -2.561 1.0 97.10 ? 375 VAL A CG1 1 O49373 UNP 375 V +ATOM 3038 C CG2 . VAL A 1 375 ? 1.941 0.375 -0.528 1.0 97.10 ? 375 VAL A CG2 1 O49373 UNP 375 V +ATOM 3039 N N . SER A 1 376 ? 0.938 3.974 -3.488 1.0 95.22 ? 376 SER A N 1 O49373 UNP 376 S +ATOM 3040 C CA . SER A 1 376 ? 0.652 4.721 -4.719 1.0 95.22 ? 376 SER A CA 1 O49373 UNP 376 S +ATOM 3041 C C . SER A 1 376 ? 1.530 4.324 -5.917 1.0 95.22 ? 376 SER A C 1 O49373 UNP 376 S +ATOM 3042 C CB . SER A 1 376 ? 0.754 6.220 -4.438 1.0 95.22 ? 376 SER A CB 1 O49373 UNP 376 S +ATOM 3043 O O . SER A 1 376 ? 1.075 4.375 -7.066 1.0 95.22 ? 376 SER A O 1 O49373 UNP 376 S +ATOM 3044 O OG . SER A 1 376 ? 2.044 6.570 -3.977 1.0 95.22 ? 376 SER A OG 1 O49373 UNP 376 S +ATOM 3045 N N . PHE A 1 377 ? 2.775 3.898 -5.674 1.0 96.05 ? 377 PHE A N 1 O49373 UNP 377 F +ATOM 3046 C CA . PHE A 1 377 ? 3.705 3.426 -6.703 1.0 96.05 ? 377 PHE A CA 1 O49373 UNP 377 F +ATOM 3047 C C . PHE A 1 377 ? 4.704 2.392 -6.166 1.0 96.05 ? 377 PHE A C 1 O49373 UNP 377 F +ATOM 3048 C CB . PHE A 1 377 ? 4.449 4.609 -7.349 1.0 96.05 ? 377 PHE A CB 1 O49373 UNP 377 F +ATOM 3049 O O . PHE A 1 377 ? 5.074 2.387 -4.994 1.0 96.05 ? 377 PHE A O 1 O49373 UNP 377 F +ATOM 3050 C CG . PHE A 1 377 ? 5.391 5.349 -6.416 1.0 96.05 ? 377 PHE A CG 1 O49373 UNP 377 F +ATOM 3051 C CD1 . PHE A 1 377 ? 4.889 6.360 -5.582 1.0 96.05 ? 377 PHE A CD1 1 O49373 UNP 377 F +ATOM 3052 C CD2 . PHE A 1 377 ? 6.758 5.011 -6.351 1.0 96.05 ? 377 PHE A CD2 1 O49373 UNP 377 F +ATOM 3053 C CE1 . PHE A 1 377 ? 5.729 6.999 -4.658 1.0 96.05 ? 377 PHE A CE1 1 O49373 UNP 377 F +ATOM 3054 C CE2 . PHE A 1 377 ? 7.610 5.684 -5.455 1.0 96.05 ? 377 PHE A CE2 1 O49373 UNP 377 F +ATOM 3055 C CZ . PHE A 1 377 ? 7.094 6.675 -4.603 1.0 96.05 ? 377 PHE A CZ 1 O49373 UNP 377 F +ATOM 3056 N N . GLY A 1 378 ? 5.186 1.523 -7.054 1.0 96.01 ? 378 GLY A N 1 O49373 UNP 378 G +ATOM 3057 C CA . GLY A 1 378 ? 6.281 0.593 -6.794 1.0 96.01 ? 378 GLY A CA 1 O49373 UNP 378 G +ATOM 3058 C C . GLY A 1 378 ? 7.561 1.042 -7.491 1.0 96.01 ? 378 GLY A C 1 O49373 UNP 378 G +ATOM 3059 O O . GLY A 1 378 ? 7.513 1.521 -8.617 1.0 96.01 ? 378 GLY A O 1 O49373 UNP 378 G +ATOM 3060 N N . ARG A 1 379 ? 8.718 0.851 -6.849 1.0 96.10 ? 379 ARG A N 1 O49373 UNP 379 R +ATOM 3061 C CA . ARG A 1 379 ? 10.037 1.081 -7.457 1.0 96.10 ? 379 ARG A CA 1 O49373 UNP 379 R +ATOM 3062 C C . ARG A 1 379 ? 10.824 -0.222 -7.590 1.0 96.10 ? 379 ARG A C 1 O49373 UNP 379 R +ATOM 3063 C CB . ARG A 1 379 ? 10.782 2.185 -6.690 1.0 96.10 ? 379 ARG A CB 1 O49373 UNP 379 R +ATOM 3064 O O . ARG A 1 379 ? 10.841 -1.034 -6.652 1.0 96.10 ? 379 ARG A O 1 O49373 UNP 379 R +ATOM 3065 C CG . ARG A 1 379 ? 12.192 2.441 -7.241 1.0 96.10 ? 379 ARG A CG 1 O49373 UNP 379 R +ATOM 3066 C CD . ARG A 1 379 ? 12.862 3.631 -6.547 1.0 96.10 ? 379 ARG A CD 1 O49373 UNP 379 R +ATOM 3067 N NE . ARG A 1 379 ? 14.286 3.687 -6.910 1.0 96.10 ? 379 ARG A NE 1 O49373 UNP 379 R +ATOM 3068 N NH1 . ARG A 1 379 ? 15.057 5.027 -5.195 1.0 96.10 ? 379 ARG A NH1 1 O49373 UNP 379 R +ATOM 3069 N NH2 . ARG A 1 379 ? 16.437 4.308 -6.795 1.0 96.10 ? 379 ARG A NH2 1 O49373 UNP 379 R +ATOM 3070 C CZ . ARG A 1 379 ? 15.246 4.337 -6.285 1.0 96.10 ? 379 ARG A CZ 1 O49373 UNP 379 R +ATOM 3071 N N . LYS A 1 380 ? 11.467 -0.383 -8.748 1.0 97.42 ? 380 LYS A N 1 O49373 UNP 380 K +ATOM 3072 C CA . LYS A 1 380 ? 12.375 -1.476 -9.112 1.0 97.42 ? 380 LYS A CA 1 O49373 UNP 380 K +ATOM 3073 C C . LYS A 1 380 ? 13.587 -0.944 -9.872 1.0 97.42 ? 380 LYS A C 1 O49373 UNP 380 K +ATOM 3074 C CB . LYS A 1 380 ? 11.620 -2.501 -9.980 1.0 97.42 ? 380 LYS A CB 1 O49373 UNP 380 K +ATOM 3075 O O . LYS A 1 380 ? 13.495 0.095 -10.527 1.0 97.42 ? 380 LYS A O 1 O49373 UNP 380 K +ATOM 3076 C CG . LYS A 1 380 ? 10.623 -3.363 -9.191 1.0 97.42 ? 380 LYS A CG 1 O49373 UNP 380 K +ATOM 3077 C CD . LYS A 1 380 ? 11.359 -4.239 -8.172 1.0 97.42 ? 380 LYS A CD 1 O49373 UNP 380 K +ATOM 3078 C CE . LYS A 1 380 ? 10.485 -5.395 -7.697 1.0 97.42 ? 380 LYS A CE 1 O49373 UNP 380 K +ATOM 3079 N NZ . LYS A 1 380 ? 11.349 -6.454 -7.124 1.0 97.42 ? 380 LYS A NZ 1 O49373 UNP 380 K +ATOM 3080 N N . SER A 1 381 ? 14.684 -1.688 -9.805 1.0 97.38 ? 381 SER A N 1 O49373 UNP 381 S +ATOM 3081 C CA . SER A 1 381 ? 15.904 -1.415 -10.559 1.0 97.38 ? 381 SER A CA 1 O49373 UNP 381 S +ATOM 3082 C C . SER A 1 381 ? 16.483 -2.713 -11.127 1.0 97.38 ? 381 SER A C 1 O49373 UNP 381 S +ATOM 3083 C CB . SER A 1 381 ? 16.928 -0.700 -9.673 1.0 97.38 ? 381 SER A CB 1 O49373 UNP 381 S +ATOM 3084 O O . SER A 1 381 ? 16.590 -3.695 -10.387 1.0 97.38 ? 381 SER A O 1 O49373 UNP 381 S +ATOM 3085 O OG . SER A 1 381 ? 16.516 0.645 -9.504 1.0 97.38 ? 381 SER A OG 1 O49373 UNP 381 S +ATOM 3086 N N . PRO A 1 382 ? 16.826 -2.751 -12.426 1.0 97.79 ? 382 PRO A N 1 O49373 UNP 382 P +ATOM 3087 C CA . PRO A 1 382 ? 17.456 -3.913 -13.032 1.0 97.79 ? 382 PRO A CA 1 O49373 UNP 382 P +ATOM 3088 C C . PRO A 1 382 ? 18.933 -4.023 -12.622 1.0 97.79 ? 382 PRO A C 1 O49373 UNP 382 P +ATOM 3089 C CB . PRO A 1 382 ? 17.293 -3.723 -14.537 1.0 97.79 ? 382 PRO A CB 1 O49373 UNP 382 P +ATOM 3090 O O . PRO A 1 382 ? 19.637 -3.015 -12.567 1.0 97.79 ? 382 PRO A O 1 O49373 UNP 382 P +ATOM 3091 C CG . PRO A 1 382 ? 17.311 -2.211 -14.694 1.0 97.79 ? 382 PRO A CG 1 O49373 UNP 382 P +ATOM 3092 C CD . PRO A 1 382 ? 16.631 -1.707 -13.427 1.0 97.79 ? 382 PRO A CD 1 O49373 UNP 382 P +ATOM 3093 N N . ILE A 1 383 ? 19.426 -5.237 -12.378 1.0 97.70 ? 383 ILE A N 1 O49373 UNP 383 I +ATOM 3094 C CA . ILE A 1 383 ? 20.850 -5.516 -12.133 1.0 97.70 ? 383 ILE A CA 1 O49373 UNP 383 I +ATOM 3095 C C . ILE A 1 383 ? 21.631 -5.424 -13.447 1.0 97.70 ? 383 ILE A C 1 O49373 UNP 383 I +ATOM 3096 C CB . ILE A 1 383 ? 21.030 -6.911 -11.485 1.0 97.70 ? 383 ILE A CB 1 O49373 UNP 383 I +ATOM 3097 O O . ILE A 1 383 ? 22.711 -4.840 -13.495 1.0 97.70 ? 383 ILE A O 1 O49373 UNP 383 I +ATOM 3098 C CG1 . ILE A 1 383 ? 20.342 -6.974 -10.102 1.0 97.70 ? 383 ILE A CG1 1 O49373 UNP 383 I +ATOM 3099 C CG2 . ILE A 1 383 ? 22.526 -7.266 -11.347 1.0 97.70 ? 383 ILE A CG2 1 O49373 UNP 383 I +ATOM 3100 C CD1 . ILE A 1 383 ? 20.337 -8.382 -9.492 1.0 97.70 ? 383 ILE A CD1 1 O49373 UNP 383 I +ATOM 3101 N N . LYS A 1 384 ? 21.083 -6.003 -14.519 1.0 97.75 ? 384 LYS A N 1 O49373 UNP 384 K +ATOM 3102 C CA . LYS A 1 384 ? 21.637 -5.985 -15.876 1.0 97.75 ? 384 LYS A CA 1 O49373 UNP 384 K +ATOM 3103 C C . LYS A 1 384 ? 20.674 -5.280 -16.817 1.0 97.75 ? 384 LYS A C 1 O49373 UNP 384 K +ATOM 3104 C CB . LYS A 1 384 ? 21.886 -7.416 -16.371 1.0 97.75 ? 384 LYS A CB 1 O49373 UNP 384 K +ATOM 3105 O O . LYS A 1 384 ? 19.461 -5.385 -16.634 1.0 97.75 ? 384 LYS A O 1 O49373 UNP 384 K +ATOM 3106 C CG . LYS A 1 384 ? 22.890 -8.180 -15.500 1.0 97.75 ? 384 LYS A CG 1 O49373 UNP 384 K +ATOM 3107 C CD . LYS A 1 384 ? 23.128 -9.579 -16.076 1.0 97.75 ? 384 LYS A CD 1 O49373 UNP 384 K +ATOM 3108 C CE . LYS A 1 384 ? 24.101 -10.356 -15.184 1.0 97.75 ? 384 LYS A CE 1 O49373 UNP 384 K +ATOM 3109 N NZ . LYS A 1 384 ? 24.348 -11.719 -15.718 1.0 97.75 ? 384 LYS A NZ 1 O49373 UNP 384 K +ATOM 3110 N N . SER A 1 385 ? 21.215 -4.611 -17.833 1.0 98.12 ? 385 SER A N 1 O49373 UNP 385 S +ATOM 3111 C CA . SER A 1 385 ? 20.393 -4.006 -18.879 1.0 98.12 ? 385 SER A CA 1 O49373 UNP 385 S +ATOM 3112 C C . SER A 1 385 ? 19.469 -5.045 -19.520 1.0 98.12 ? 385 SER A C 1 O49373 UNP 385 S +ATOM 3113 C CB . SER A 1 385 ? 21.240 -3.330 -19.960 1.0 98.12 ? 385 SER A CB 1 O49373 UNP 385 S +ATOM 3114 O O . SER A 1 385 ? 19.860 -6.198 -19.698 1.0 98.12 ? 385 SER A O 1 O49373 UNP 385 S +ATOM 3115 O OG . SER A 1 385 ? 22.111 -2.368 -19.387 1.0 98.12 ? 385 SER A OG 1 O49373 UNP 385 S +ATOM 3116 N N . ASP A 1 386 ? 18.251 -4.629 -19.846 1.0 98.21 ? 386 ASP A N 1 O49373 UNP 386 D +ATOM 3117 C CA . ASP A 1 386 ? 17.191 -5.501 -20.354 1.0 98.21 ? 386 ASP A CA 1 O49373 UNP 386 D +ATOM 3118 C C . ASP A 1 386 ? 16.302 -4.744 -21.356 1.0 98.21 ? 386 ASP A C 1 O49373 UNP 386 D +ATOM 3119 C CB . ASP A 1 386 ? 16.382 -6.059 -19.161 1.0 98.21 ? 386 ASP A CB 1 O49373 UNP 386 D +ATOM 3120 O O . ASP A 1 386 ? 16.328 -3.510 -21.429 1.0 98.21 ? 386 ASP A O 1 O49373 UNP 386 D +ATOM 3121 C CG . ASP A 1 386 ? 15.544 -7.304 -19.489 1.0 98.21 ? 386 ASP A CG 1 O49373 UNP 386 D +ATOM 3122 O OD1 . ASP A 1 386 ? 15.647 -7.807 -20.625 1.0 98.21 ? 386 ASP A OD1 1 O49373 UNP 386 D +ATOM 3123 O OD2 . ASP A 1 386 ? 14.815 -7.780 -18.585 1.0 98.21 ? 386 ASP A OD2 1 O49373 UNP 386 D +ATOM 3124 N N . VAL A 1 387 ? 15.506 -5.480 -22.129 1.0 98.25 ? 387 VAL A N 1 O49373 UNP 387 V +ATOM 3125 C CA . VAL A 1 387 ? 14.482 -4.938 -23.028 1.0 98.25 ? 387 VAL A CA 1 O49373 UNP 387 V +ATOM 3126 C C . VAL A 1 387 ? 13.123 -5.413 -22.537 1.0 98.25 ? 387 VAL A C 1 O49373 UNP 387 V +ATOM 3127 C CB . VAL A 1 387 ? 14.718 -5.342 -24.494 1.0 98.25 ? 387 VAL A CB 1 O49373 UNP 387 V +ATOM 3128 O O . VAL A 1 387 ? 12.847 -6.608 -22.490 1.0 98.25 ? 387 VAL A O 1 O49373 UNP 387 V +ATOM 3129 C CG1 . VAL A 1 387 ? 13.731 -4.613 -25.416 1.0 98.25 ? 387 VAL A CG1 1 O49373 UNP 387 V +ATOM 3130 C CG2 . VAL A 1 387 ? 16.143 -4.988 -24.947 1.0 98.25 ? 387 VAL A CG2 1 O49373 UNP 387 V +ATOM 3131 N N . LEU A 1 388 ? 12.267 -4.468 -22.156 1.0 98.32 ? 388 LEU A N 1 O49373 UNP 388 L +ATOM 3132 C CA . LEU A 1 388 ? 10.919 -4.783 -21.696 1.0 98.32 ? 388 LEU A CA 1 O49373 UNP 388 L +ATOM 3133 C C . LEU A 1 388 ? 10.030 -5.260 -22.862 1.0 98.32 ? 388 LEU A C 1 O49373 UNP 388 L +ATOM 3134 C CB . LEU A 1 388 ? 10.319 -3.552 -21.004 1.0 98.32 ? 388 LEU A CB 1 O49373 UNP 388 L +ATOM 3135 O O . LEU A 1 388 ? 10.291 -4.877 -24.002 1.0 98.32 ? 388 LEU A O 1 O49373 UNP 388 L +ATOM 3136 C CG . LEU A 1 388 ? 11.061 -3.065 -19.752 1.0 98.32 ? 388 LEU A CG 1 O49373 UNP 388 L +ATOM 3137 C CD1 . LEU A 1 388 ? 10.293 -1.890 -19.154 1.0 98.32 ? 388 LEU A CD1 1 O49373 UNP 388 L +ATOM 3138 C CD2 . LEU A 1 388 ? 11.149 -4.144 -18.675 1.0 98.32 ? 388 LEU A CD2 1 O49373 UNP 388 L +ATOM 3139 N N . PRO A 1 389 ? 8.943 -6.014 -22.599 1.0 98.17 ? 389 PRO A N 1 O49373 UNP 389 P +ATOM 3140 C CA . PRO A 1 389 ? 7.977 -6.442 -23.621 1.0 98.17 ? 389 PRO A CA 1 O49373 UNP 389 P +ATOM 3141 C C . PRO A 1 389 ? 7.455 -5.323 -24.535 1.0 98.17 ? 389 PRO A C 1 O49373 UNP 389 P +ATOM 3142 C CB . PRO A 1 389 ? 6.832 -7.081 -22.832 1.0 98.17 ? 389 PRO A CB 1 O49373 UNP 389 P +ATOM 3143 O O . PRO A 1 389 ? 7.272 -5.536 -25.727 1.0 98.17 ? 389 PRO A O 1 O49373 UNP 389 P +ATOM 3144 C CG . PRO A 1 389 ? 7.552 -7.677 -21.626 1.0 98.17 ? 389 PRO A CG 1 O49373 UNP 389 P +ATOM 3145 C CD . PRO A 1 389 ? 8.632 -6.643 -21.323 1.0 98.17 ? 389 PRO A CD 1 O49373 UNP 389 P +ATOM 3146 N N . SER A 1 390 ? 7.298 -4.111 -24.003 1.0 96.68 ? 390 SER A N 1 O49373 UNP 390 S +ATOM 3147 C CA . SER A 1 390 ? 6.962 -2.899 -24.773 1.0 96.68 ? 390 SER A CA 1 O49373 UNP 390 S +ATOM 3148 C C . SER A 1 390 ? 8.071 -2.386 -25.717 1.0 96.68 ? 390 SER A C 1 O49373 UNP 390 S +ATOM 3149 C CB . SER A 1 390 ? 6.571 -1.789 -23.797 1.0 96.68 ? 390 SER A CB 1 O49373 UNP 390 S +ATOM 3150 O O . SER A 1 390 ? 7.917 -1.335 -26.332 1.0 96.68 ? 390 SER A O 1 O49373 UNP 390 S +ATOM 3151 O OG . SER A 1 390 ? 7.661 -1.536 -22.917 1.0 96.68 ? 390 SER A OG 1 O49373 UNP 390 S +ATOM 3152 N N . GLY A 1 391 ? 9.228 -3.051 -25.793 1.0 97.30 ? 391 GLY A N 1 O49373 UNP 391 G +ATOM 3153 C CA . GLY A 1 391 ? 10.396 -2.652 -26.590 1.0 97.30 ? 391 GLY A CA 1 O49373 UNP 391 G +ATOM 3154 C C . GLY A 1 391 ? 11.315 -1.617 -25.925 1.0 97.30 ? 391 GLY A C 1 O49373 UNP 391 G +ATOM 3155 O O . GLY A 1 391 ? 12.385 -1.301 -26.453 1.0 97.30 ? 391 GLY A O 1 O49373 UNP 391 G +ATOM 3156 N N . HIS A 1 392 ? 10.944 -1.092 -24.755 1.0 97.79 ? 392 HIS A N 1 O49373 UNP 392 H +ATOM 3157 C CA . HIS A 1 392 ? 11.748 -0.108 -24.032 1.0 97.79 ? 392 HIS A CA 1 O49373 UNP 392 H +ATOM 3158 C C . HIS A 1 392 ? 13.014 -0.739 -23.439 1.0 97.79 ? 392 HIS A C 1 O49373 UNP 392 H +ATOM 3159 C CB . HIS A 1 392 ? 10.913 0.566 -22.937 1.0 97.79 ? 392 HIS A CB 1 O49373 UNP 392 H +ATOM 3160 O O . HIS A 1 392 ? 12.949 -1.705 -22.679 1.0 97.79 ? 392 HIS A O 1 O49373 UNP 392 H +ATOM 3161 C CG . HIS A 1 392 ? 9.825 1.444 -23.492 1.0 97.79 ? 392 HIS A CG 1 O49373 UNP 392 H +ATOM 3162 C CD2 . HIS A 1 392 ? 9.912 2.784 -23.750 1.0 97.79 ? 392 HIS A CD2 1 O49373 UNP 392 H +ATOM 3163 N ND1 . HIS A 1 392 ? 8.560 1.047 -23.855 1.0 97.79 ? 392 HIS A ND1 1 O49373 UNP 392 H +ATOM 3164 C CE1 . HIS A 1 392 ? 7.903 2.118 -24.328 1.0 97.79 ? 392 HIS A CE1 1 O49373 UNP 392 H +ATOM 3165 N NE2 . HIS A 1 392 ? 8.689 3.208 -24.269 1.0 97.79 ? 392 HIS A NE2 1 O49373 UNP 392 H +ATOM 3166 N N . LYS A 1 393 ? 14.172 -0.142 -23.734 1.0 97.14 ? 393 LYS A N 1 O49373 UNP 393 K +ATOM 3167 C CA . LYS A 1 393 ? 15.457 -0.522 -23.135 1.0 97.14 ? 393 LYS A CA 1 O49373 UNP 393 K +ATOM 3168 C C . LYS A 1 393 ? 15.596 0.092 -21.745 1.0 97.14 ? 393 LYS A C 1 O49373 UNP 393 K +ATOM 3169 C CB . LYS A 1 393 ? 16.628 -0.109 -24.039 1.0 97.14 ? 393 LYS A CB 1 O49373 UNP 393 K +ATOM 3170 O O . LYS A 1 393 ? 15.361 1.290 -21.571 1.0 97.14 ? 393 LYS A O 1 O49373 UNP 393 K +ATOM 3171 C CG . LYS A 1 393 ? 16.562 -0.801 -25.408 1.0 97.14 ? 393 LYS A CG 1 O49373 UNP 393 K +ATOM 3172 C CD . LYS A 1 393 ? 17.780 -0.465 -26.274 1.0 97.14 ? 393 LYS A CD 1 O49373 UNP 393 K +ATOM 3173 C CE . LYS A 1 393 ? 17.671 -1.231 -27.597 1.0 97.14 ? 393 LYS A CE 1 O49373 UNP 393 K +ATOM 3174 N NZ . LYS A 1 393 ? 18.816 -0.946 -28.497 1.0 97.14 ? 393 LYS A NZ 1 O49373 UNP 393 K +ATOM 3175 N N . VAL A 1 394 ? 16.012 -0.716 -20.777 1.0 97.06 ? 394 VAL A N 1 O49373 UNP 394 V +ATOM 3176 C CA . VAL A 1 394 ? 16.343 -0.276 -19.420 1.0 97.06 ? 394 VAL A CA 1 O49373 UNP 394 V +ATOM 3177 C C . VAL A 1 394 ? 17.791 -0.621 -19.120 1.0 97.06 ? 394 VAL A C 1 O49373 UNP 394 V +ATOM 3178 C CB . VAL A 1 394 ? 15.379 -0.852 -18.363 1.0 97.06 ? 394 VAL A CB 1 O49373 UNP 394 V +ATOM 3179 O O . VAL A 1 394 ? 18.203 -1.767 -19.266 1.0 97.06 ? 394 VAL A O 1 O49373 UNP 394 V +ATOM 3180 C CG1 . VAL A 1 394 ? 13.987 -0.239 -18.546 1.0 97.06 ? 394 VAL A CG1 1 O49373 UNP 394 V +ATOM 3181 C CG2 . VAL A 1 394 ? 15.227 -2.379 -18.372 1.0 97.06 ? 394 VAL A CG2 1 O49373 UNP 394 V +ATOM 3182 N N . ASP A 1 395 ? 18.571 0.373 -18.705 1.0 96.00 ? 395 ASP A N 1 O49373 UNP 395 D +ATOM 3183 C CA . ASP A 1 395 ? 19.969 0.170 -18.332 1.0 96.00 ? 395 ASP A CA 1 O49373 UNP 395 D +ATOM 3184 C C . ASP A 1 395 ? 20.082 -0.370 -16.905 1.0 96.00 ? 395 ASP A C 1 O49373 UNP 395 D +ATOM 3185 C CB . ASP A 1 395 ? 20.764 1.472 -18.490 1.0 96.00 ? 395 ASP A CB 1 O49373 UNP 395 D +ATOM 3186 O O . ASP A 1 395 ? 19.212 -0.105 -16.067 1.0 96.00 ? 395 ASP A O 1 O49373 UNP 395 D +ATOM 3187 C CG . ASP A 1 395 ? 20.795 1.959 -19.940 1.0 96.00 ? 395 ASP A CG 1 O49373 UNP 395 D +ATOM 3188 O OD1 . ASP A 1 395 ? 21.010 1.107 -20.832 1.0 96.00 ? 395 ASP A OD1 1 O49373 UNP 395 D +ATOM 3189 O OD2 . ASP A 1 395 ? 20.581 3.177 -20.139 1.0 96.00 ? 395 ASP A OD2 1 O49373 UNP 395 D +ATOM 3190 N N . ALA A 1 396 ? 21.168 -1.083 -16.606 1.0 96.02 ? 396 ALA A N 1 O49373 UNP 396 A +ATOM 3191 C CA . ALA A 1 396 ? 21.507 -1.485 -15.242 1.0 96.02 ? 396 ALA A CA 1 O49373 UNP 396 A +ATOM 3192 C C . ALA A 1 396 ? 21.423 -0.299 -14.259 1.0 96.02 ? 396 ALA A C 1 O49373 UNP 396 A +ATOM 3193 C CB . ALA A 1 396 ? 22.913 -2.092 -15.245 1.0 96.02 ? 396 ALA A CB 1 O49373 UNP 396 A +ATOM 3194 O O . ALA A 1 396 ? 21.846 0.816 -14.566 1.0 96.02 ? 396 ALA A O 1 O49373 UNP 396 A +ATOM 3195 N N . ASN A 1 397 ? 20.878 -0.545 -13.067 1.0 93.37 ? 397 ASN A N 1 O49373 UNP 397 N +ATOM 3196 C CA . ASN A 1 397 ? 20.642 0.436 -12.000 1.0 93.37 ? 397 ASN A CA 1 O49373 UNP 397 N +ATOM 3197 C C . ASN A 1 397 ? 19.678 1.588 -12.348 1.0 93.37 ? 397 ASN A C 1 O49373 UNP 397 N +ATOM 3198 C CB . ASN A 1 397 ? 21.981 0.932 -11.428 1.0 93.37 ? 397 ASN A CB 1 O49373 UNP 397 N +ATOM 3199 O O . ASN A 1 397 ? 19.489 2.492 -11.534 1.0 93.37 ? 397 ASN A O 1 O49373 UNP 397 N +ATOM 3200 C CG . ASN A 1 397 ? 22.862 -0.212 -10.974 1.0 93.37 ? 397 ASN A CG 1 O49373 UNP 397 N +ATOM 3201 N ND2 . ASN A 1 397 ? 24.058 -0.323 -11.502 1.0 93.37 ? 397 ASN A ND2 1 O49373 UNP 397 N +ATOM 3202 O OD1 . ASN A 1 397 ? 22.479 -1.024 -10.149 1.0 93.37 ? 397 ASN A OD1 1 O49373 UNP 397 N +ATOM 3203 N N . SER A 1 398 ? 19.018 1.561 -13.510 1.0 94.61 ? 398 SER A N 1 O49373 UNP 398 S +ATOM 3204 C CA . SER A 1 398 ? 17.973 2.539 -13.830 1.0 94.61 ? 398 SER A CA 1 O49373 UNP 398 S +ATOM 3205 C C . SER A 1 398 ? 16.771 2.438 -12.876 1.0 94.61 ? 398 SER A C 1 O49373 UNP 398 S +ATOM 3206 C CB . SER A 1 398 ? 17.543 2.443 -15.298 1.0 94.61 ? 398 SER A CB 1 O49373 UNP 398 S +ATOM 3207 O O . SER A 1 398 ? 16.558 1.439 -12.181 1.0 94.61 ? 398 SER A O 1 O49373 UNP 398 S +ATOM 3208 O OG . SER A 1 398 ? 16.958 1.193 -15.585 1.0 94.61 ? 398 SER A OG 1 O49373 UNP 398 S +ATOM 3209 N N . LYS A 1 399 ? 15.969 3.506 -12.806 1.0 95.94 ? 399 LYS A N 1 O49373 UNP 399 K +ATOM 3210 C CA . LYS A 1 399 ? 14.769 3.576 -11.962 1.0 95.94 ? 399 LYS A CA 1 O49373 UNP 399 K +ATOM 3211 C C . LYS A 1 399 ? 13.539 3.231 -12.779 1.0 95.94 ? 399 LYS A C 1 O49373 UNP 399 K +ATOM 3212 C CB . LYS A 1 399 ? 14.623 4.980 -11.366 1.0 95.94 ? 399 LYS A CB 1 O49373 UNP 399 K +ATOM 3213 O O . LYS A 1 399 ? 13.208 3.953 -13.715 1.0 95.94 ? 399 LYS A O 1 O49373 UNP 399 K +ATOM 3214 C CG . LYS A 1 399 ? 15.727 5.279 -10.355 1.0 95.94 ? 399 LYS A CG 1 O49373 UNP 399 K +ATOM 3215 C CD . LYS A 1 399 ? 15.696 6.749 -9.924 1.0 95.94 ? 399 LYS A CD 1 O49373 UNP 399 K +ATOM 3216 C CE . LYS A 1 399 ? 16.914 6.922 -9.031 1.0 95.94 ? 399 LYS A CE 1 O49373 UNP 399 K +ATOM 3217 N NZ . LYS A 1 399 ? 17.253 8.315 -8.701 1.0 95.94 ? 399 LYS A NZ 1 O49373 UNP 399 K +ATOM 3218 N N . ILE A 1 400 ? 12.827 2.188 -12.378 1.0 97.91 ? 400 ILE A N 1 O49373 UNP 400 I +ATOM 3219 C CA . ILE A 1 400 ? 11.525 1.844 -12.943 1.0 97.91 ? 400 ILE A CA 1 O49373 UNP 400 I +ATOM 3220 C C . ILE A 1 400 ? 10.459 2.091 -11.879 1.0 97.91 ? 400 ILE A C 1 O49373 UNP 400 I +ATOM 3221 C CB . ILE A 1 400 ? 11.504 0.409 -13.501 1.0 97.91 ? 400 ILE A CB 1 O49373 UNP 400 I +ATOM 3222 O O . ILE A 1 400 ? 10.558 1.579 -10.760 1.0 97.91 ? 400 ILE A O 1 O49373 UNP 400 I +ATOM 3223 C CG1 . ILE A 1 400 ? 12.665 0.187 -14.502 1.0 97.91 ? 400 ILE A CG1 1 O49373 UNP 400 I +ATOM 3224 C CG2 . ILE A 1 400 ? 10.140 0.172 -14.175 1.0 97.91 ? 400 ILE A CG2 1 O49373 UNP 400 I +ATOM 3225 C CD1 . ILE A 1 400 ? 12.804 -1.265 -14.965 1.0 97.91 ? 400 ILE A CD1 1 O49373 UNP 400 I +ATOM 3226 N N . ILE A 1 401 ? 9.454 2.888 -12.230 1.0 97.66 ? 401 ILE A N 1 O49373 UNP 401 I +ATOM 3227 C CA . ILE A 1 401 ? 8.320 3.244 -11.384 1.0 97.66 ? 401 ILE A CA 1 O49373 UNP 401 I +ATOM 3228 C C . ILE A 1 401 ? 7.060 2.602 -11.964 1.0 97.66 ? 401 ILE A C 1 O49373 UNP 401 I +ATOM 3229 C CB . ILE A 1 401 ? 8.185 4.776 -11.248 1.0 97.66 ? 401 ILE A CB 1 O49373 UNP 401 I +ATOM 3230 O O . ILE A 1 401 ? 6.640 2.910 -13.075 1.0 97.66 ? 401 ILE A O 1 O49373 UNP 401 I +ATOM 3231 C CG1 . ILE A 1 401 ? 9.471 5.466 -10.732 1.0 97.66 ? 401 ILE A CG1 1 O49373 UNP 401 I +ATOM 3232 C CG2 . ILE A 1 401 ? 6.993 5.130 -10.342 1.0 97.66 ? 401 ILE A CG2 1 O49373 UNP 401 I +ATOM 3233 C CD1 . ILE A 1 401 ? 9.954 5.024 -9.343 1.0 97.66 ? 401 ILE A CD1 1 O49373 UNP 401 I +ATOM 3234 N N . ILE A 1 402 ? 6.441 1.713 -11.197 1.0 98.27 ? 402 ILE A N 1 O49373 UNP 402 I +ATOM 3235 C CA . ILE A 1 402 ? 5.146 1.122 -11.523 1.0 98.27 ? 402 ILE A CA 1 O49373 UNP 402 I +ATOM 3236 C C . ILE A 1 402 ? 4.078 1.977 -10.841 1.0 98.27 ? 402 ILE A C 1 O49373 UNP 402 I +ATOM 3237 C CB . ILE A 1 402 ? 5.086 -0.364 -11.115 1.0 98.27 ? 402 ILE A CB 1 O49373 UNP 402 I +ATOM 3238 O O . ILE A 1 402 ? 4.005 2.014 -9.612 1.0 98.27 ? 402 ILE A O 1 O49373 UNP 402 I +ATOM 3239 C CG1 . ILE A 1 402 ? 6.257 -1.174 -11.726 1.0 98.27 ? 402 ILE A CG1 1 O49373 UNP 402 I +ATOM 3240 C CG2 . ILE A 1 402 ? 3.738 -0.933 -11.586 1.0 98.27 ? 402 ILE A CG2 1 O49373 UNP 402 I +ATOM 3241 C CD1 . ILE A 1 402 ? 6.360 -2.618 -11.216 1.0 98.27 ? 402 ILE A CD1 1 O49373 UNP 402 I +ATOM 3242 N N . CYS A 1 403 ? 3.276 2.701 -11.618 1.0 97.98 ? 403 CYS A N 1 O49373 UNP 403 C +ATOM 3243 C CA . CYS A 1 403 ? 2.310 3.667 -11.090 1.0 97.98 ? 403 CYS A CA 1 O49373 UNP 403 C +ATOM 3244 C C . CYS A 1 403 ? 0.975 2.979 -10.766 1.0 97.98 ? 403 CYS A C 1 O49373 UNP 403 C +ATOM 3245 C CB . CYS A 1 403 ? 2.147 4.815 -12.100 1.0 97.98 ? 403 CYS A CB 1 O49373 UNP 403 C +ATOM 3246 O O . CYS A 1 403 ? 0.087 2.931 -11.613 1.0 97.98 ? 403 CYS A O 1 O49373 UNP 403 C +ATOM 3247 S SG . CYS A 1 403 ? 3.706 5.720 -12.319 1.0 97.98 ? 403 CYS A SG 1 O49373 UNP 403 C +ATOM 3248 N N . LEU A 1 404 ? 0.812 2.457 -9.546 1.0 98.28 ? 404 LEU A N 1 O49373 UNP 404 L +ATOM 3249 C CA . LEU A 1 404 ? -0.363 1.660 -9.156 1.0 98.28 ? 404 LEU A CA 1 O49373 UNP 404 L +ATOM 3250 C C . LEU A 1 404 ? -1.674 2.453 -9.278 1.0 98.28 ? 404 LEU A C 1 O49373 UNP 404 L +ATOM 3251 C CB . LEU A 1 404 ? -0.192 1.110 -7.725 1.0 98.28 ? 404 LEU A CB 1 O49373 UNP 404 L +ATOM 3252 O O . LEU A 1 404 ? -2.643 1.938 -9.832 1.0 98.28 ? 404 LEU A O 1 O49373 UNP 404 L +ATOM 3253 C CG . LEU A 1 404 ? 0.609 -0.198 -7.621 1.0 98.28 ? 404 LEU A CG 1 O49373 UNP 404 L +ATOM 3254 C CD1 . LEU A 1 404 ? 2.077 -0.055 -8.013 1.0 98.28 ? 404 LEU A CD1 1 O49373 UNP 404 L +ATOM 3255 C CD2 . LEU A 1 404 ? 0.566 -0.728 -6.190 1.0 98.28 ? 404 LEU A CD2 1 O49373 UNP 404 L +ATOM 3256 N N . TYR A 1 405 ? -1.695 3.717 -8.834 1.0 97.88 ? 405 TYR A N 1 O49373 UNP 405 Y +ATOM 3257 C CA . TYR A 1 405 ? -2.879 4.582 -8.980 1.0 97.88 ? 405 TYR A CA 1 O49373 UNP 405 Y +ATOM 3258 C C . TYR A 1 405 ? -3.303 4.756 -10.447 1.0 97.88 ? 405 TYR A C 1 O49373 UNP 405 Y +ATOM 3259 C CB . TYR A 1 405 ? -2.588 5.957 -8.365 1.0 97.88 ? 405 TYR A CB 1 O49373 UNP 405 Y +ATOM 3260 O O . TYR A 1 405 ? -4.495 4.770 -10.763 1.0 97.88 ? 405 TYR A O 1 O49373 UNP 405 Y +ATOM 3261 C CG . TYR A 1 405 ? -3.746 6.936 -8.468 1.0 97.88 ? 405 TYR A CG 1 O49373 UNP 405 Y +ATOM 3262 C CD1 . TYR A 1 405 ? -3.906 7.750 -9.611 1.0 97.88 ? 405 TYR A CD1 1 O49373 UNP 405 Y +ATOM 3263 C CD2 . TYR A 1 405 ? -4.668 7.036 -7.411 1.0 97.88 ? 405 TYR A CD2 1 O49373 UNP 405 Y +ATOM 3264 C CE1 . TYR A 1 405 ? -4.945 8.703 -9.663 1.0 97.88 ? 405 TYR A CE1 1 O49373 UNP 405 Y +ATOM 3265 C CE2 . TYR A 1 405 ? -5.707 7.986 -7.459 1.0 97.88 ? 405 TYR A CE2 1 O49373 UNP 405 Y +ATOM 3266 O OH . TYR A 1 405 ? -6.826 9.773 -8.620 1.0 97.88 ? 405 TYR A OH 1 O49373 UNP 405 Y +ATOM 3267 C CZ . TYR A 1 405 ? -5.839 8.837 -8.580 1.0 97.88 ? 405 TYR A CZ 1 O49373 UNP 405 Y +ATOM 3268 N N . ALA A 1 406 ? -2.323 4.884 -11.347 1.0 98.16 ? 406 ALA A N 1 O49373 UNP 406 A +ATOM 3269 C CA . ALA A 1 406 ? -2.574 5.030 -12.773 1.0 98.16 ? 406 ALA A CA 1 O49373 UNP 406 A +ATOM 3270 C C . ALA A 1 406 ? -3.004 3.708 -13.411 1.0 98.16 ? 406 ALA A C 1 O49373 UNP 406 A +ATOM 3271 C CB . ALA A 1 406 ? -1.346 5.650 -13.445 1.0 98.16 ? 406 ALA A CB 1 O49373 UNP 406 A +ATOM 3272 O O . ALA A 1 406 ? -3.983 3.696 -14.150 1.0 98.16 ? 406 ALA A O 1 O49373 UNP 406 A +ATOM 3273 N N . LEU A 1 407 ? -2.344 2.596 -13.068 1.0 98.39 ? 407 LEU A N 1 O49373 UNP 407 L +ATOM 3274 C CA . LEU A 1 407 ? -2.691 1.246 -13.521 1.0 98.39 ? 407 LEU A CA 1 O49373 UNP 407 L +ATOM 3275 C C . LEU A 1 407 ? -4.166 0.933 -13.262 1.0 98.39 ? 407 LEU A C 1 O49373 UNP 407 L +ATOM 3276 C CB . LEU A 1 407 ? -1.786 0.238 -12.787 1.0 98.39 ? 407 LEU A CB 1 O49373 UNP 407 L +ATOM 3277 O O . LEU A 1 407 ? -4.861 0.432 -14.143 1.0 98.39 ? 407 LEU A O 1 O49373 UNP 407 L +ATOM 3278 C CG . LEU A 1 407 ? -2.107 -1.243 -13.064 1.0 98.39 ? 407 LEU A CG 1 O49373 UNP 407 L +ATOM 3279 C CD1 . LEU A 1 407 ? -1.896 -1.611 -14.527 1.0 98.39 ? 407 LEU A CD1 1 O49373 UNP 407 L +ATOM 3280 C CD2 . LEU A 1 407 ? -1.182 -2.108 -12.210 1.0 98.39 ? 407 LEU A CD2 1 O49373 UNP 407 L +ATOM 3281 N N . GLY A 1 408 ? -4.656 1.299 -12.078 1.0 97.72 ? 408 GLY A N 1 O49373 UNP 408 G +ATOM 3282 C CA . GLY A 1 408 ? -6.053 1.157 -11.694 1.0 97.72 ? 408 GLY A CA 1 O49373 UNP 408 G +ATOM 3283 C C . GLY A 1 408 ? -7.044 1.991 -12.509 1.0 97.72 ? 408 GLY A C 1 O49373 UNP 408 G +ATOM 3284 O O . GLY A 1 408 ? -8.234 1.795 -12.345 1.0 97.72 ? 408 GLY A O 1 O49373 UNP 408 G +ATOM 3285 N N . ARG A 1 409 ? -6.608 2.906 -13.382 1.0 97.68 ? 409 ARG A N 1 O49373 UNP 409 R +ATOM 3286 C CA . ARG A 1 409 ? -7.470 3.773 -14.215 1.0 97.68 ? 409 ARG A CA 1 O49373 UNP 409 R +ATOM 3287 C C . ARG A 1 409 ? -7.208 3.635 -15.714 1.0 97.68 ? 409 ARG A C 1 O49373 UNP 409 R +ATOM 3288 C CB . ARG A 1 409 ? -7.309 5.234 -13.766 1.0 97.68 ? 409 ARG A CB 1 O49373 UNP 409 R +ATOM 3289 O O . ARG A 1 409 ? -7.799 4.368 -16.500 1.0 97.68 ? 409 ARG A O 1 O49373 UNP 409 R +ATOM 3290 C CG . ARG A 1 409 ? -7.981 5.488 -12.417 1.0 97.68 ? 409 ARG A CG 1 O49373 UNP 409 R +ATOM 3291 C CD . ARG A 1 409 ? -7.641 6.900 -11.919 1.0 97.68 ? 409 ARG A CD 1 O49373 UNP 409 R +ATOM 3292 N NE . ARG A 1 409 ? -8.261 7.176 -10.613 1.0 97.68 ? 409 ARG A NE 1 O49373 UNP 409 R +ATOM 3293 N NH1 . ARG A 1 409 ? -6.943 5.748 -9.412 1.0 97.68 ? 409 ARG A NH1 1 O49373 UNP 409 R +ATOM 3294 N NH2 . ARG A 1 409 ? -8.627 6.790 -8.395 1.0 97.68 ? 409 ARG A NH2 1 O49373 UNP 409 R +ATOM 3295 C CZ . ARG A 1 409 ? -7.943 6.579 -9.483 1.0 97.68 ? 409 ARG A CZ 1 O49373 UNP 409 R +ATOM 3296 N N . MET A 1 410 ? -6.325 2.728 -16.129 1.0 97.95 ? 410 MET A N 1 O49373 UNP 410 M +ATOM 3297 C CA . MET A 1 410 ? -6.007 2.550 -17.546 1.0 97.95 ? 410 MET A CA 1 O49373 UNP 410 M +ATOM 3298 C C . MET A 1 410 ? -7.149 1.856 -18.284 1.0 97.95 ? 410 MET A C 1 O49373 UNP 410 M +ATOM 3299 C CB . MET A 1 410 ? -4.710 1.752 -17.721 1.0 97.95 ? 410 MET A CB 1 O49373 UNP 410 M +ATOM 3300 O O . MET A 1 410 ? -7.436 0.684 -18.026 1.0 97.95 ? 410 MET A O 1 O49373 UNP 410 M +ATOM 3301 C CG . MET A 1 410 ? -3.454 2.512 -17.298 1.0 97.95 ? 410 MET A CG 1 O49373 UNP 410 M +ATOM 3302 S SD . MET A 1 410 ? -3.174 4.095 -18.147 1.0 97.95 ? 410 MET A SD 1 O49373 UNP 410 M +ATOM 3303 C CE . MET A 1 410 ? -3.769 5.269 -16.907 1.0 97.95 ? 410 MET A CE 1 O49373 UNP 410 M +ATOM 3304 N N . ARG A 1 411 ? -7.744 2.544 -19.263 1.0 97.71 ? 411 ARG A N 1 O49373 UNP 411 R +ATOM 3305 C CA . ARG A 1 411 ? -8.802 1.977 -20.113 1.0 97.71 ? 411 ARG A CA 1 O49373 UNP 411 R +ATOM 3306 C C . ARG A 1 411 ? -8.335 0.770 -20.921 1.0 97.71 ? 411 ARG A C 1 O49373 UNP 411 R +ATOM 3307 C CB . ARG A 1 411 ? -9.387 3.058 -21.030 1.0 97.71 ? 411 ARG A CB 1 O49373 UNP 411 R +ATOM 3308 O O . ARG A 1 411 ? -9.048 -0.222 -20.994 1.0 97.71 ? 411 ARG A O 1 O49373 UNP 411 R +ATOM 3309 C CG . ARG A 1 411 ? -10.198 4.082 -20.224 1.0 97.71 ? 411 ARG A CG 1 O49373 UNP 411 R +ATOM 3310 C CD . ARG A 1 411 ? -10.924 5.045 -21.157 1.0 97.71 ? 411 ARG A CD 1 O49373 UNP 411 R +ATOM 3311 N NE . ARG A 1 411 ? -10.022 6.063 -21.705 1.0 97.71 ? 411 ARG A NE 1 O49373 UNP 411 R +ATOM 3312 N NH1 . ARG A 1 411 ? -11.393 6.749 -23.411 1.0 97.71 ? 411 ARG A NH1 1 O49373 UNP 411 R +ATOM 3313 N NH2 . ARG A 1 411 ? -9.387 7.730 -23.044 1.0 97.71 ? 411 ARG A NH2 1 O49373 UNP 411 R +ATOM 3314 C CZ . ARG A 1 411 ? -10.285 6.845 -22.724 1.0 97.71 ? 411 ARG A CZ 1 O49373 UNP 411 R +ATOM 3315 N N . ALA A 1 412 ? -7.090 0.784 -21.399 1.0 96.95 ? 412 ALA A N 1 O49373 UNP 412 A +ATOM 3316 C CA . ALA A 1 412 ? -6.480 -0.367 -22.071 1.0 96.95 ? 412 ALA A CA 1 O49373 UNP 412 A +ATOM 3317 C C . ALA A 1 412 ? -6.381 -1.629 -21.182 1.0 96.95 ? 412 ALA A C 1 O49373 UNP 412 A +ATOM 3318 C CB . ALA A 1 412 ? -5.093 0.059 -22.561 1.0 96.95 ? 412 ALA A CB 1 O49373 UNP 412 A +ATOM 3319 O O . ALA A 1 412 ? -6.240 -2.732 -21.698 1.0 96.95 ? 412 ALA A O 1 O49373 UNP 412 A +ATOM 3320 N N . VAL A 1 413 ? -6.450 -1.484 -19.851 1.0 97.55 ? 413 VAL A N 1 O49373 UNP 413 V +ATOM 3321 C CA . VAL A 1 413 ? -6.339 -2.597 -18.889 1.0 97.55 ? 413 VAL A CA 1 O49373 UNP 413 V +ATOM 3322 C C . VAL A 1 413 ? -7.703 -3.004 -18.321 1.0 97.55 ? 413 VAL A C 1 O49373 UNP 413 V +ATOM 3323 C CB . VAL A 1 413 ? -5.356 -2.225 -17.757 1.0 97.55 ? 413 VAL A CB 1 O49373 UNP 413 V +ATOM 3324 O O . VAL A 1 413 ? -7.936 -4.190 -18.067 1.0 97.55 ? 413 VAL A O 1 O49373 UNP 413 V +ATOM 3325 C CG1 . VAL A 1 413 ? -5.148 -3.377 -16.764 1.0 97.55 ? 413 VAL A CG1 1 O49373 UNP 413 V +ATOM 3326 C CG2 . VAL A 1 413 ? -3.974 -1.852 -18.317 1.0 97.55 ? 413 VAL A CG2 1 O49373 UNP 413 V +ATOM 3327 N N . TRP A 1 414 ? -8.594 -2.032 -18.105 1.0 97.57 ? 414 TRP A N 1 O49373 UNP 414 W +ATOM 3328 C CA . TRP A 1 414 ? -9.846 -2.204 -17.358 1.0 97.57 ? 414 TRP A CA 1 O49373 UNP 414 W +ATOM 3329 C C . TRP A 1 414 ? -11.124 -1.892 -18.151 1.0 97.57 ? 414 TRP A C 1 O49373 UNP 414 W +ATOM 3330 C CB . TRP A 1 414 ? -9.761 -1.371 -16.072 1.0 97.57 ? 414 TRP A CB 1 O49373 UNP 414 W +ATOM 3331 O O . TRP A 1 414 ? -12.209 -2.069 -17.603 1.0 97.57 ? 414 TRP A O 1 O49373 UNP 414 W +ATOM 3332 C CG . TRP A 1 414 ? -8.717 -1.821 -15.101 1.0 97.57 ? 414 TRP A CG 1 O49373 UNP 414 W +ATOM 3333 C CD1 . TRP A 1 414 ? -7.540 -1.204 -14.861 1.0 97.57 ? 414 TRP A CD1 1 O49373 UNP 414 W +ATOM 3334 C CD2 . TRP A 1 414 ? -8.736 -2.999 -14.244 1.0 97.57 ? 414 TRP A CD2 1 O49373 UNP 414 W +ATOM 3335 C CE2 . TRP A 1 414 ? -7.528 -3.022 -13.483 1.0 97.57 ? 414 TRP A CE2 1 O49373 UNP 414 W +ATOM 3336 C CE3 . TRP A 1 414 ? -9.667 -4.034 -14.015 1.0 97.57 ? 414 TRP A CE3 1 O49373 UNP 414 W +ATOM 3337 N NE1 . TRP A 1 414 ? -6.831 -1.910 -13.909 1.0 97.57 ? 414 TRP A NE1 1 O49373 UNP 414 W +ATOM 3338 C CH2 . TRP A 1 414 ? -8.218 -5.035 -12.323 1.0 97.57 ? 414 TRP A CH2 1 O49373 UNP 414 W +ATOM 3339 C CZ2 . TRP A 1 414 ? -7.272 -4.015 -12.527 1.0 97.57 ? 414 TRP A CZ2 1 O49373 UNP 414 W +ATOM 3340 C CZ3 . TRP A 1 414 ? -9.410 -5.043 -13.067 1.0 97.57 ? 414 TRP A CZ3 1 O49373 UNP 414 W +ATOM 3341 N N . GLY A 1 415 ? -11.013 -1.477 -19.416 1.0 97.04 ? 415 GLY A N 1 O49373 UNP 415 G +ATOM 3342 C CA . GLY A 1 415 ? -12.135 -1.070 -20.268 1.0 97.04 ? 415 GLY A CA 1 O49373 UNP 415 G +ATOM 3343 C C . GLY A 1 415 ? -12.517 0.407 -20.116 1.0 97.04 ? 415 GLY A C 1 O49373 UNP 415 G +ATOM 3344 O O . GLY A 1 415 ? -11.931 1.142 -19.324 1.0 97.04 ? 415 GLY A O 1 O49373 UNP 415 G +ATOM 3345 N N . GLU A 1 416 ? -13.513 0.863 -20.880 1.0 97.42 ? 416 GLU A N 1 O49373 UNP 416 E +ATOM 3346 C CA . GLU A 1 416 ? -13.945 2.275 -20.883 1.0 97.42 ? 416 GLU A CA 1 O49373 UNP 416 E +ATOM 3347 C C . GLU A 1 416 ? -14.479 2.755 -19.527 1.0 97.42 ? 416 GLU A C 1 O49373 UNP 416 E +ATOM 3348 C CB . GLU A 1 416 ? -15.030 2.495 -21.950 1.0 97.42 ? 416 GLU A CB 1 O49373 UNP 416 E +ATOM 3349 O O . GLU A 1 416 ? -14.313 3.917 -19.164 1.0 97.42 ? 416 GLU A O 1 O49373 UNP 416 E +ATOM 3350 C CG . GLU A 1 416 ? -14.500 2.426 -23.389 1.0 97.42 ? 416 GLU A CG 1 O49373 UNP 416 E +ATOM 3351 C CD . GLU A 1 416 ? -13.364 3.432 -23.661 1.0 97.42 ? 416 GLU A CD 1 O49373 UNP 416 E +ATOM 3352 O OE1 . GLU A 1 416 ? -12.348 3.014 -24.252 1.0 97.42 ? 416 GLU A OE1 1 O49373 UNP 416 E +ATOM 3353 O OE2 . GLU A 1 416 ? -13.444 4.612 -23.232 1.0 97.42 ? 416 GLU A OE2 1 O49373 UNP 416 E +ATOM 3354 N N . ASP A 1 417 ? -15.063 1.859 -18.733 1.0 97.54 ? 417 ASP A N 1 O49373 UNP 417 D +ATOM 3355 C CA . ASP A 1 417 ? -15.564 2.165 -17.396 1.0 97.54 ? 417 ASP A CA 1 O49373 UNP 417 D +ATOM 3356 C C . ASP A 1 417 ? -14.462 2.114 -16.318 1.0 97.54 ? 417 ASP A C 1 O49373 UNP 417 D +ATOM 3357 C CB . ASP A 1 417 ? -16.822 1.317 -17.082 1.0 97.54 ? 417 ASP A CB 1 O49373 UNP 417 D +ATOM 3358 O O . ASP A 1 417 ? -14.789 2.120 -15.135 1.0 97.54 ? 417 ASP A O 1 O49373 UNP 417 D +ATOM 3359 C CG . ASP A 1 417 ? -16.602 -0.199 -17.038 1.0 97.54 ? 417 ASP A CG 1 O49373 UNP 417 D +ATOM 3360 O OD1 . ASP A 1 417 ? -15.492 -0.638 -17.403 1.0 97.54 ? 417 ASP A OD1 1 O49373 UNP 417 D +ATOM 3361 O OD2 . ASP A 1 417 ? -17.498 -0.940 -16.558 1.0 97.54 ? 417 ASP A OD2 1 O49373 UNP 417 D +ATOM 3362 N N . ALA A 1 418 ? -13.166 2.103 -16.670 1.0 97.51 ? 418 ALA A N 1 O49373 UNP 418 A +ATOM 3363 C CA . ALA A 1 418 ? -12.039 1.985 -15.731 1.0 97.51 ? 418 ALA A CA 1 O49373 UNP 418 A +ATOM 3364 C C . ALA A 1 418 ? -12.070 2.980 -14.555 1.0 97.51 ? 418 ALA A C 1 O49373 UNP 418 A +ATOM 3365 C CB . ALA A 1 418 ? -10.726 2.179 -16.504 1.0 97.51 ? 418 ALA A CB 1 O49373 UNP 418 A +ATOM 3366 O O . ALA A 1 418 ? -11.606 2.650 -13.463 1.0 97.51 ? 418 ALA A O 1 O49373 UNP 418 A +ATOM 3367 N N . SER A 1 419 ? -12.606 4.187 -14.740 1.0 96.07 ? 419 SER A N 1 O49373 UNP 419 S +ATOM 3368 C CA . SER A 1 419 ? -12.709 5.195 -13.676 1.0 96.07 ? 419 SER A CA 1 O49373 UNP 419 S +ATOM 3369 C C . SER A 1 419 ? -13.899 4.993 -12.733 1.0 96.07 ? 419 SER A C 1 O49373 UNP 419 S +ATOM 3370 C CB . SER A 1 419 ? -12.766 6.591 -14.297 1.0 96.07 ? 419 SER A CB 1 O49373 UNP 419 S +ATOM 3371 O O . SER A 1 419 ? -13.963 5.661 -11.705 1.0 96.07 ? 419 SER A O 1 O49373 UNP 419 S +ATOM 3372 O OG . SER A 1 419 ? -13.900 6.716 -15.132 1.0 96.07 ? 419 SER A OG 1 O49373 UNP 419 S +ATOM 3373 N N . GLN A 1 420 ? -14.847 4.115 -13.072 1.0 97.83 ? 420 GLN A N 1 O49373 UNP 420 Q +ATOM 3374 C CA . GLN A 1 420 ? -16.041 3.852 -12.269 1.0 97.83 ? 420 GLN A CA 1 O49373 UNP 420 Q +ATOM 3375 C C . GLN A 1 420 ? -15.751 2.834 -11.167 1.0 97.83 ? 420 GLN A C 1 O49373 UNP 420 Q +ATOM 3376 C CB . GLN A 1 420 ? -17.195 3.340 -13.144 1.0 97.83 ? 420 GLN A CB 1 O49373 UNP 420 Q +ATOM 3377 O O . GLN A 1 420 ? -15.052 1.843 -11.402 1.0 97.83 ? 420 GLN A O 1 O49373 UNP 420 Q +ATOM 3378 C CG . GLN A 1 420 ? -17.600 4.311 -14.262 1.0 97.83 ? 420 GLN A CG 1 O49373 UNP 420 Q +ATOM 3379 C CD . GLN A 1 420 ? -18.780 3.795 -15.082 1.0 97.83 ? 420 GLN A CD 1 O49373 UNP 420 Q +ATOM 3380 N NE2 . GLN A 1 420 ? -19.158 4.483 -16.136 1.0 97.83 ? 420 GLN A NE2 1 O49373 UNP 420 Q +ATOM 3381 O OE1 . GLN A 1 420 ? -19.377 2.767 -14.813 1.0 97.83 ? 420 GLN A OE1 1 O49373 UNP 420 Q +ATOM 3382 N N . PHE A 1 421 ? -16.347 3.048 -9.995 1.0 98.50 ? 421 PHE A N 1 O49373 UNP 421 F +ATOM 3383 C CA . PHE A 1 421 ? -16.378 2.073 -8.910 1.0 98.50 ? 421 PHE A CA 1 O49373 UNP 421 F +ATOM 3384 C C . PHE A 1 421 ? -17.454 1.023 -9.192 1.0 98.50 ? 421 PHE A C 1 O49373 UNP 421 F +ATOM 3385 C CB . PHE A 1 421 ? -16.624 2.812 -7.592 1.0 98.50 ? 421 PHE A CB 1 O49373 UNP 421 F +ATOM 3386 O O . PHE A 1 421 ? -18.643 1.296 -9.073 1.0 98.50 ? 421 PHE A O 1 O49373 UNP 421 F +ATOM 3387 C CG . PHE A 1 421 ? -16.671 1.902 -6.382 1.0 98.50 ? 421 PHE A CG 1 O49373 UNP 421 F +ATOM 3388 C CD1 . PHE A 1 421 ? -17.875 1.709 -5.682 1.0 98.50 ? 421 PHE A CD1 1 O49373 UNP 421 F +ATOM 3389 C CD2 . PHE A 1 421 ? -15.507 1.249 -5.943 1.0 98.50 ? 421 PHE A CD2 1 O49373 UNP 421 F +ATOM 3390 C CE1 . PHE A 1 421 ? -17.906 0.898 -4.536 1.0 98.50 ? 421 PHE A CE1 1 O49373 UNP 421 F +ATOM 3391 C CE2 . PHE A 1 421 ? -15.550 0.402 -4.823 1.0 98.50 ? 421 PHE A CE2 1 O49373 UNP 421 F +ATOM 3392 C CZ . PHE A 1 421 ? -16.745 0.233 -4.111 1.0 98.50 ? 421 PHE A CZ 1 O49373 UNP 421 F +ATOM 3393 N N . LYS A 1 422 ? -17.026 -0.167 -9.613 1.0 98.05 ? 422 LYS A N 1 O49373 UNP 422 K +ATOM 3394 C CA . LYS A 1 422 ? -17.899 -1.265 -10.036 1.0 98.05 ? 422 LYS A CA 1 O49373 UNP 422 K +ATOM 3395 C C . LYS A 1 422 ? -17.442 -2.593 -9.418 1.0 98.05 ? 422 LYS A C 1 O49373 UNP 422 K +ATOM 3396 C CB . LYS A 1 422 ? -17.894 -1.275 -11.563 1.0 98.05 ? 422 LYS A CB 1 O49373 UNP 422 K +ATOM 3397 O O . LYS A 1 422 ? -16.637 -3.307 -10.029 1.0 98.05 ? 422 LYS A O 1 O49373 UNP 422 K +ATOM 3398 C CG . LYS A 1 422 ? -18.911 -2.242 -12.177 1.0 98.05 ? 422 LYS A CG 1 O49373 UNP 422 K +ATOM 3399 C CD . LYS A 1 422 ? -18.724 -2.181 -13.693 1.0 98.05 ? 422 LYS A CD 1 O49373 UNP 422 K +ATOM 3400 C CE . LYS A 1 422 ? -19.805 -2.925 -14.468 1.0 98.05 ? 422 LYS A CE 1 O49373 UNP 422 K +ATOM 3401 N NZ . LYS A 1 422 ? -19.506 -2.803 -15.916 1.0 98.05 ? 422 LYS A NZ 1 O49373 UNP 422 K +ATOM 3402 N N . PRO A 1 423 ? -17.927 -2.943 -8.213 1.0 98.32 ? 423 PRO A N 1 O49373 UNP 423 P +ATOM 3403 C CA . PRO A 1 423 ? -17.608 -4.209 -7.547 1.0 98.32 ? 423 PRO A CA 1 O49373 UNP 423 P +ATOM 3404 C C . PRO A 1 423 ? -17.861 -5.450 -8.414 1.0 98.32 ? 423 PRO A C 1 O49373 UNP 423 P +ATOM 3405 C CB . PRO A 1 423 ? -18.503 -4.237 -6.308 1.0 98.32 ? 423 PRO A CB 1 O49373 UNP 423 P +ATOM 3406 O O . PRO A 1 423 ? -17.153 -6.446 -8.289 1.0 98.32 ? 423 PRO A O 1 O49373 UNP 423 P +ATOM 3407 C CG . PRO A 1 423 ? -18.702 -2.760 -5.983 1.0 98.32 ? 423 PRO A CG 1 O49373 UNP 423 P +ATOM 3408 C CD . PRO A 1 423 ? -18.781 -2.121 -7.363 1.0 98.32 ? 423 PRO A CD 1 O49373 UNP 423 P +ATOM 3409 N N . GLU A 1 424 ? -18.812 -5.378 -9.349 1.0 97.67 ? 424 GLU A N 1 O49373 UNP 424 E +ATOM 3410 C CA . GLU A 1 424 ? -19.164 -6.450 -10.284 1.0 97.67 ? 424 GLU A CA 1 O49373 UNP 424 E +ATOM 3411 C C . GLU A 1 424 ? -17.987 -6.899 -11.167 1.0 97.67 ? 424 GLU A C 1 O49373 UNP 424 E +ATOM 3412 C CB . GLU A 1 424 ? -20.344 -6.021 -11.178 1.0 97.67 ? 424 GLU A CB 1 O49373 UNP 424 E +ATOM 3413 O O . GLU A 1 424 ? -18.006 -8.018 -11.670 1.0 97.67 ? 424 GLU A O 1 O49373 UNP 424 E +ATOM 3414 C CG . GLU A 1 424 ? -21.677 -5.787 -10.442 1.0 97.67 ? 424 GLU A CG 1 O49373 UNP 424 E +ATOM 3415 C CD . GLU A 1 424 ? -21.745 -4.507 -9.595 1.0 97.67 ? 424 GLU A CD 1 O49373 UNP 424 E +ATOM 3416 O OE1 . GLU A 1 424 ? -22.666 -4.439 -8.742 1.0 97.67 ? 424 GLU A OE1 1 O49373 UNP 424 E +ATOM 3417 O OE2 . GLU A 1 424 ? -20.886 -3.617 -9.771 1.0 97.67 ? 424 GLU A OE2 1 O49373 UNP 424 E +ATOM 3418 N N . ARG A 1 425 ? -16.923 -6.089 -11.324 1.0 97.17 ? 425 ARG A N 1 O49373 UNP 425 R +ATOM 3419 C CA . ARG A 1 425 ? -15.687 -6.512 -12.021 1.0 97.17 ? 425 ARG A CA 1 O49373 UNP 425 R +ATOM 3420 C C . ARG A 1 425 ? -15.034 -7.744 -11.404 1.0 97.17 ? 425 ARG A C 1 O49373 UNP 425 R +ATOM 3421 C CB . ARG A 1 425 ? -14.635 -5.401 -11.975 1.0 97.17 ? 425 ARG A CB 1 O49373 UNP 425 R +ATOM 3422 O O . ARG A 1 425 ? -14.297 -8.443 -12.096 1.0 97.17 ? 425 ARG A O 1 O49373 UNP 425 R +ATOM 3423 C CG . ARG A 1 425 ? -14.979 -4.220 -12.872 1.0 97.17 ? 425 ARG A CG 1 O49373 UNP 425 R +ATOM 3424 C CD . ARG A 1 425 ? -13.849 -3.192 -12.760 1.0 97.17 ? 425 ARG A CD 1 O49373 UNP 425 R +ATOM 3425 N NE . ARG A 1 425 ? -14.387 -1.836 -12.828 1.0 97.17 ? 425 ARG A NE 1 O49373 UNP 425 R +ATOM 3426 N NH1 . ARG A 1 425 ? -14.658 -1.730 -15.088 1.0 97.17 ? 425 ARG A NH1 1 O49373 UNP 425 R +ATOM 3427 N NH2 . ARG A 1 425 ? -15.440 -0.092 -13.750 1.0 97.17 ? 425 ARG A NH2 1 O49373 UNP 425 R +ATOM 3428 C CZ . ARG A 1 425 ? -14.833 -1.225 -13.900 1.0 97.17 ? 425 ARG A CZ 1 O49373 UNP 425 R +ATOM 3429 N N . TRP A 1 426 ? -15.276 -7.970 -10.118 1.0 97.85 ? 426 TRP A N 1 O49373 UNP 426 W +ATOM 3430 C CA . TRP A 1 426 ? -14.637 -8.995 -9.298 1.0 97.85 ? 426 TRP A CA 1 O49373 UNP 426 W +ATOM 3431 C C . TRP A 1 426 ? -15.534 -10.205 -9.065 1.0 97.85 ? 426 TRP A C 1 O49373 UNP 426 W +ATOM 3432 C CB . TRP A 1 426 ? -14.232 -8.359 -7.973 1.0 97.85 ? 426 TRP A CB 1 O49373 UNP 426 W +ATOM 3433 O O . TRP A 1 426 ? -15.196 -11.059 -8.250 1.0 97.85 ? 426 TRP A O 1 O49373 UNP 426 W +ATOM 3434 C CG . TRP A 1 426 ? -13.373 -7.152 -8.136 1.0 97.85 ? 426 TRP A CG 1 O49373 UNP 426 W +ATOM 3435 C CD1 . TRP A 1 426 ? -13.812 -5.878 -8.204 1.0 97.85 ? 426 TRP A CD1 1 O49373 UNP 426 W +ATOM 3436 C CD2 . TRP A 1 426 ? -11.936 -7.096 -8.347 1.0 97.85 ? 426 TRP A CD2 1 O49373 UNP 426 W +ATOM 3437 C CE2 . TRP A 1 426 ? -11.572 -5.732 -8.530 1.0 97.85 ? 426 TRP A CE2 1 O49373 UNP 426 W +ATOM 3438 C CE3 . TRP A 1 426 ? -10.904 -8.058 -8.406 1.0 97.85 ? 426 TRP A CE3 1 O49373 UNP 426 W +ATOM 3439 N NE1 . TRP A 1 426 ? -12.755 -5.041 -8.476 1.0 97.85 ? 426 TRP A NE1 1 O49373 UNP 426 W +ATOM 3440 C CH2 . TRP A 1 426 ? -9.248 -6.308 -8.790 1.0 97.85 ? 426 TRP A CH2 1 O49373 UNP 426 W +ATOM 3441 C CZ2 . TRP A 1 426 ? -10.253 -5.334 -8.743 1.0 97.85 ? 426 TRP A CZ2 1 O49373 UNP 426 W +ATOM 3442 C CZ3 . TRP A 1 426 ? -9.569 -7.666 -8.617 1.0 97.85 ? 426 TRP A CZ3 1 O49373 UNP 426 W +ATOM 3443 N N . ILE A 1 427 ? -16.668 -10.281 -9.760 1.0 97.53 ? 427 ILE A N 1 O49373 UNP 427 I +ATOM 3444 C CA . ILE A 1 427 ? -17.660 -11.339 -9.602 1.0 97.53 ? 427 ILE A CA 1 O49373 UNP 427 I +ATOM 3445 C C . ILE A 1 427 ? -17.686 -12.154 -10.894 1.0 97.53 ? 427 ILE A C 1 O49373 UNP 427 I +ATOM 3446 C CB . ILE A 1 427 ? -19.036 -10.747 -9.228 1.0 97.53 ? 427 ILE A CB 1 O49373 UNP 427 I +ATOM 3447 O O . ILE A 1 427 ? -17.788 -11.595 -11.987 1.0 97.53 ? 427 ILE A O 1 O49373 UNP 427 I +ATOM 3448 C CG1 . ILE A 1 427 ? -18.962 -9.658 -8.127 1.0 97.53 ? 427 ILE A CG1 1 O49373 UNP 427 I +ATOM 3449 C CG2 . ILE A 1 427 ? -19.992 -11.874 -8.803 1.0 97.53 ? 427 ILE A CG2 1 O49373 UNP 427 I +ATOM 3450 C CD1 . ILE A 1 427 ? -18.452 -10.121 -6.759 1.0 97.53 ? 427 ILE A CD1 1 O49373 UNP 427 I +ATOM 3451 N N . SER A 1 428 ? -17.512 -13.469 -10.790 1.0 96.01 ? 428 SER A N 1 O49373 UNP 428 S +ATOM 3452 C CA . SER A 1 428 ? -17.602 -14.377 -11.935 1.0 96.01 ? 428 SER A CA 1 O49373 UNP 428 S +ATOM 3453 C C . SER A 1 428 ? -19.059 -14.694 -12.270 1.0 96.01 ? 428 SER A C 1 O49373 UNP 428 S +ATOM 3454 C CB . SER A 1 428 ? -16.773 -15.644 -11.692 1.0 96.01 ? 428 SER A CB 1 O49373 UNP 428 S +ATOM 3455 O O . SER A 1 428 ? -19.959 -14.481 -11.461 1.0 96.01 ? 428 SER A O 1 O49373 UNP 428 S +ATOM 3456 O OG . SER A 1 428 ? -16.994 -16.186 -10.412 1.0 96.01 ? 428 SER A OG 1 O49373 UNP 428 S +ATOM 3457 N N . GLU A 1 429 ? -19.304 -15.246 -13.459 1.0 93.65 ? 429 GLU A N 1 O49373 UNP 429 E +ATOM 3458 C CA . GLU A 1 429 ? -20.657 -15.593 -13.926 1.0 93.65 ? 429 GLU A CA 1 O49373 UNP 429 E +ATOM 3459 C C . GLU A 1 429 ? -21.385 -16.576 -12.994 1.0 93.65 ? 429 GLU A C 1 O49373 UNP 429 E +ATOM 3460 C CB . GLU A 1 429 ? -20.558 -16.201 -15.331 1.0 93.65 ? 429 GLU A CB 1 O49373 UNP 429 E +ATOM 3461 O O . GLU A 1 429 ? -22.603 -16.522 -12.863 1.0 93.65 ? 429 GLU A O 1 O49373 UNP 429 E +ATOM 3462 C CG . GLU A 1 429 ? -20.044 -15.191 -16.369 1.0 93.65 ? 429 GLU A CG 1 O49373 UNP 429 E +ATOM 3463 C CD . GLU A 1 429 ? -19.881 -15.792 -17.773 1.0 93.65 ? 429 GLU A CD 1 O49373 UNP 429 E +ATOM 3464 O OE1 . GLU A 1 429 ? -19.512 -15.007 -18.674 1.0 93.65 ? 429 GLU A OE1 1 O49373 UNP 429 E +ATOM 3465 O OE2 . GLU A 1 429 ? -20.061 -17.021 -17.920 1.0 93.65 ? 429 GLU A OE2 1 O49373 UNP 429 E +ATOM 3466 N N . ASN A 1 430 ? -20.642 -17.433 -12.287 1.0 93.89 ? 430 ASN A N 1 O49373 UNP 430 N +ATOM 3467 C CA . ASN A 1 430 ? -21.177 -18.358 -11.282 1.0 93.89 ? 430 ASN A CA 1 O49373 UNP 430 N +ATOM 3468 C C . ASN A 1 430 ? -21.374 -17.730 -9.883 1.0 93.89 ? 430 ASN A C 1 O49373 UNP 430 N +ATOM 3469 C CB . ASN A 1 430 ? -20.292 -19.619 -11.242 1.0 93.89 ? 430 ASN A CB 1 O49373 UNP 430 N +ATOM 3470 O O . ASN A 1 430 ? -21.610 -18.458 -8.923 1.0 93.89 ? 430 ASN A O 1 O49373 UNP 430 N +ATOM 3471 C CG . ASN A 1 430 ? -18.907 -19.378 -10.670 1.0 93.89 ? 430 ASN A CG 1 O49373 UNP 430 N +ATOM 3472 N ND2 . ASN A 1 430 ? -18.115 -20.409 -10.510 1.0 93.89 ? 430 ASN A ND2 1 O49373 UNP 430 N +ATOM 3473 O OD1 . ASN A 1 430 ? -18.491 -18.264 -10.394 1.0 93.89 ? 430 ASN A OD1 1 O49373 UNP 430 N +ATOM 3474 N N . GLY A 1 431 ? -21.225 -16.409 -9.738 1.0 91.20 ? 431 GLY A N 1 O49373 UNP 431 G +ATOM 3475 C CA . GLY A 1 431 ? -21.393 -15.690 -8.471 1.0 91.20 ? 431 GLY A CA 1 O49373 UNP 431 G +ATOM 3476 C C . GLY A 1 431 ? -20.205 -15.770 -7.505 1.0 91.20 ? 431 GLY A C 1 O49373 UNP 431 G +ATOM 3477 O O . GLY A 1 431 ? -20.292 -15.242 -6.401 1.0 91.20 ? 431 GLY A O 1 O49373 UNP 431 G +ATOM 3478 N N . GLY A 1 432 ? -19.101 -16.416 -7.892 1.0 94.11 ? 432 GLY A N 1 O49373 UNP 432 G +ATOM 3479 C CA . GLY A 1 432 ? -17.864 -16.472 -7.110 1.0 94.11 ? 432 GLY A CA 1 O49373 UNP 432 G +ATOM 3480 C C . GLY A 1 432 ? -16.962 -15.243 -7.283 1.0 94.11 ? 432 GLY A C 1 O49373 UNP 432 G +ATOM 3481 O O . GLY A 1 432 ? -17.259 -14.314 -8.033 1.0 94.11 ? 432 GLY A O 1 O49373 UNP 432 G +ATOM 3482 N N . ILE A 1 433 ? -15.817 -15.248 -6.594 1.0 94.70 ? 433 ILE A N 1 O49373 UNP 433 I +ATOM 3483 C CA . ILE A 1 433 ? -14.780 -14.223 -6.781 1.0 94.70 ? 433 ILE A CA 1 O49373 UNP 433 I +ATOM 3484 C C . ILE A 1 433 ? -14.063 -14.480 -8.112 1.0 94.70 ? 433 ILE A C 1 O49373 UNP 433 I +ATOM 3485 C CB . ILE A 1 433 ? -13.784 -14.182 -5.596 1.0 94.70 ? 433 ILE A CB 1 O49373 UNP 433 I +ATOM 3486 O O . ILE A 1 433 ? -13.397 -15.503 -8.287 1.0 94.70 ? 433 ILE A O 1 O49373 UNP 433 I +ATOM 3487 C CG1 . ILE A 1 433 ? -14.508 -13.844 -4.272 1.0 94.70 ? 433 ILE A CG1 1 O49373 UNP 433 I +ATOM 3488 C CG2 . ILE A 1 433 ? -12.674 -13.144 -5.869 1.0 94.70 ? 433 ILE A CG2 1 O49373 UNP 433 I +ATOM 3489 C CD1 . ILE A 1 433 ? -13.661 -14.064 -3.012 1.0 94.70 ? 433 ILE A CD1 1 O49373 UNP 433 I +ATOM 3490 N N . LYS A 1 434 ? -14.131 -13.517 -9.030 1.0 95.62 ? 434 LYS A N 1 O49373 UNP 434 K +ATOM 3491 C CA . LYS A 1 434 ? -13.339 -13.508 -10.260 1.0 95.62 ? 434 LYS A CA 1 O49373 UNP 434 K +ATOM 3492 C C . LYS A 1 434 ? -11.883 -13.180 -9.939 1.0 95.62 ? 434 LYS A C 1 O49373 UNP 434 K +ATOM 3493 C CB . LYS A 1 434 ? -13.923 -12.492 -11.246 1.0 95.62 ? 434 LYS A CB 1 O49373 UNP 434 K +ATOM 3494 O O . LYS A 1 434 ? -11.569 -12.131 -9.378 1.0 95.62 ? 434 LYS A O 1 O49373 UNP 434 K +ATOM 3495 C CG . LYS A 1 434 ? -13.272 -12.592 -12.630 1.0 95.62 ? 434 LYS A CG 1 O49373 UNP 434 K +ATOM 3496 C CD . LYS A 1 434 ? -13.628 -11.345 -13.432 1.0 95.62 ? 434 LYS A CD 1 O49373 UNP 434 K +ATOM 3497 C CE . LYS A 1 434 ? -13.088 -11.434 -14.855 1.0 95.62 ? 434 LYS A CE 1 O49373 UNP 434 K +ATOM 3498 N NZ . LYS A 1 434 ? -13.047 -10.086 -15.452 1.0 95.62 ? 434 LYS A NZ 1 O49373 UNP 434 K +ATOM 3499 N N . HIS A 1 435 ? -10.974 -14.060 -10.347 1.0 92.84 ? 435 HIS A N 1 O49373 UNP 435 H +ATOM 3500 C CA . HIS A 1 435 ? -9.545 -13.813 -10.218 1.0 92.84 ? 435 HIS A CA 1 O49373 UNP 435 H +ATOM 3501 C C . HIS A 1 435 ? -9.035 -12.914 -11.353 1.0 92.84 ? 435 HIS A C 1 O49373 UNP 435 H +ATOM 3502 C CB . HIS A 1 435 ? -8.792 -15.145 -10.161 1.0 92.84 ? 435 HIS A CB 1 O49373 UNP 435 H +ATOM 3503 O O . HIS A 1 435 ? -9.057 -13.304 -12.518 1.0 92.84 ? 435 HIS A O 1 O49373 UNP 435 H +ATOM 3504 C CG . HIS A 1 435 ? -7.326 -14.952 -9.878 1.0 92.84 ? 435 HIS A CG 1 O49373 UNP 435 H +ATOM 3505 C CD2 . HIS A 1 435 ? -6.296 -15.011 -10.779 1.0 92.84 ? 435 HIS A CD2 1 O49373 UNP 435 H +ATOM 3506 N ND1 . HIS A 1 435 ? -6.783 -14.632 -8.658 1.0 92.84 ? 435 HIS A ND1 1 O49373 UNP 435 H +ATOM 3507 C CE1 . HIS A 1 435 ? -5.455 -14.504 -8.818 1.0 92.84 ? 435 HIS A CE1 1 O49373 UNP 435 H +ATOM 3508 N NE2 . HIS A 1 435 ? -5.108 -14.732 -10.092 1.0 92.84 ? 435 HIS A NE2 1 O49373 UNP 435 H +ATOM 3509 N N . GLU A 1 436 ? -8.524 -11.734 -11.005 1.0 94.25 ? 436 GLU A N 1 O49373 UNP 436 E +ATOM 3510 C CA . GLU A 1 436 ? -7.752 -10.896 -11.926 1.0 94.25 ? 436 GLU A CA 1 O49373 UNP 436 E +ATOM 3511 C C . GLU A 1 436 ? -6.246 -11.144 -11.734 1.0 94.25 ? 436 GLU A C 1 O49373 UNP 436 E +ATOM 3512 C CB . GLU A 1 436 ? -8.080 -9.410 -11.732 1.0 94.25 ? 436 GLU A CB 1 O49373 UNP 436 E +ATOM 3513 O O . GLU A 1 436 ? -5.781 -11.204 -10.589 1.0 94.25 ? 436 GLU A O 1 O49373 UNP 436 E +ATOM 3514 C CG . GLU A 1 436 ? -9.467 -9.025 -12.274 1.0 94.25 ? 436 GLU A CG 1 O49373 UNP 436 E +ATOM 3515 C CD . GLU A 1 436 ? -9.579 -9.088 -13.811 1.0 94.25 ? 436 GLU A CD 1 O49373 UNP 436 E +ATOM 3516 O OE1 . GLU A 1 436 ? -10.687 -9.376 -14.322 1.0 94.25 ? 436 GLU A OE1 1 O49373 UNP 436 E +ATOM 3517 O OE2 . GLU A 1 436 ? -8.578 -8.797 -14.518 1.0 94.25 ? 436 GLU A OE2 1 O49373 UNP 436 E +ATOM 3518 N N . PRO A 1 437 ? -5.457 -11.239 -12.822 1.0 95.37 ? 437 PRO A N 1 O49373 UNP 437 P +ATOM 3519 C CA . PRO A 1 437 ? -4.011 -11.388 -12.723 1.0 95.37 ? 437 PRO A CA 1 O49373 UNP 437 P +ATOM 3520 C C . PRO A 1 437 ? -3.361 -10.290 -11.868 1.0 95.37 ? 437 PRO A C 1 O49373 UNP 437 P +ATOM 3521 C CB . PRO A 1 437 ? -3.498 -11.352 -14.164 1.0 95.37 ? 437 PRO A CB 1 O49373 UNP 437 P +ATOM 3522 O O . PRO A 1 437 ? -3.604 -9.097 -12.067 1.0 95.37 ? 437 PRO A O 1 O49373 UNP 437 P +ATOM 3523 C CG . PRO A 1 437 ? -4.686 -11.823 -14.998 1.0 95.37 ? 437 PRO A CG 1 O49373 UNP 437 P +ATOM 3524 C CD . PRO A 1 437 ? -5.892 -11.317 -14.212 1.0 95.37 ? 437 PRO A CD 1 O49373 UNP 437 P +ATOM 3525 N N . SER A 1 438 ? -2.459 -10.671 -10.957 1.0 93.91 ? 438 SER A N 1 O49373 UNP 438 S +ATOM 3526 C CA . SER A 1 438 ? -1.835 -9.738 -10.000 1.0 93.91 ? 438 SER A CA 1 O49373 UNP 438 S +ATOM 3527 C C . SER A 1 438 ? -1.059 -8.587 -10.656 1.0 93.91 ? 438 SER A C 1 O49373 UNP 438 S +ATOM 3528 C CB . SER A 1 438 ? -0.874 -10.485 -9.069 1.0 93.91 ? 438 SER A CB 1 O49373 UNP 438 S +ATOM 3529 O O . SER A 1 438 ? -0.877 -7.540 -10.047 1.0 93.91 ? 438 SER A O 1 O49373 UNP 438 S +ATOM 3530 O OG . SER A 1 438 ? -1.500 -11.602 -8.466 1.0 93.91 ? 438 SER A OG 1 O49373 UNP 438 S +ATOM 3531 N N . PHE A 1 439 ? -0.599 -8.741 -11.900 1.0 95.47 ? 439 PHE A N 1 O49373 UNP 439 F +ATOM 3532 C CA . PHE A 1 439 ? 0.074 -7.669 -12.645 1.0 95.47 ? 439 PHE A CA 1 O49373 UNP 439 F +ATOM 3533 C C . PHE A 1 439 ? -0.892 -6.608 -13.211 1.0 95.47 ? 439 PHE A C 1 O49373 UNP 439 F +ATOM 3534 C CB . PHE A 1 439 ? 0.974 -8.293 -13.718 1.0 95.47 ? 439 PHE A CB 1 O49373 UNP 439 F +ATOM 3535 O O . PHE A 1 439 ? -0.438 -5.543 -13.621 1.0 95.47 ? 439 PHE A O 1 O49373 UNP 439 F +ATOM 3536 C CG . PHE A 1 439 ? 0.281 -9.301 -14.609 1.0 95.47 ? 439 PHE A CG 1 O49373 UNP 439 F +ATOM 3537 C CD1 . PHE A 1 439 ? 0.482 -10.680 -14.427 1.0 95.47 ? 439 PHE A CD1 1 O49373 UNP 439 F +ATOM 3538 C CD2 . PHE A 1 439 ? -0.567 -8.850 -15.629 1.0 95.47 ? 439 PHE A CD2 1 O49373 UNP 439 F +ATOM 3539 C CE1 . PHE A 1 439 ? -0.128 -11.599 -15.299 1.0 95.47 ? 439 PHE A CE1 1 O49373 UNP 439 F +ATOM 3540 C CE2 . PHE A 1 439 ? -1.188 -9.764 -16.498 1.0 95.47 ? 439 PHE A CE2 1 O49373 UNP 439 F +ATOM 3541 C CZ . PHE A 1 439 ? -0.957 -11.141 -16.339 1.0 95.47 ? 439 PHE A CZ 1 O49373 UNP 439 F +ATOM 3542 N N . LYS A 1 440 ? -2.210 -6.859 -13.191 1.0 96.45 ? 440 LYS A N 1 O49373 UNP 440 K +ATOM 3543 C CA . LYS A 1 440 ? -3.257 -5.839 -13.382 1.0 96.45 ? 440 LYS A CA 1 O49373 UNP 440 K +ATOM 3544 C C . LYS A 1 440 ? -3.689 -5.228 -12.044 1.0 96.45 ? 440 LYS A C 1 O49373 UNP 440 K +ATOM 3545 C CB . LYS A 1 440 ? -4.478 -6.441 -14.098 1.0 96.45 ? 440 LYS A CB 1 O49373 UNP 440 K +ATOM 3546 O O . LYS A 1 440 ? -3.951 -4.032 -11.975 1.0 96.45 ? 440 LYS A O 1 O49373 UNP 440 K +ATOM 3547 C CG . LYS A 1 440 ? -4.181 -6.964 -15.515 1.0 96.45 ? 440 LYS A CG 1 O49373 UNP 440 K +ATOM 3548 C CD . LYS A 1 440 ? -5.425 -7.608 -16.152 1.0 96.45 ? 440 LYS A CD 1 O49373 UNP 440 K +ATOM 3549 C CE . LYS A 1 440 ? -6.558 -6.606 -16.417 1.0 96.45 ? 440 LYS A CE 1 O49373 UNP 440 K +ATOM 3550 N NZ . LYS A 1 440 ? -7.840 -7.286 -16.710 1.0 96.45 ? 440 LYS A NZ 1 O49373 UNP 440 K +ATOM 3551 N N . PHE A 1 441 ? -3.733 -6.037 -10.980 1.0 97.31 ? 441 PHE A N 1 O49373 UNP 441 F +ATOM 3552 C CA . PHE A 1 441 ? -4.137 -5.632 -9.629 1.0 97.31 ? 441 PHE A CA 1 O49373 UNP 441 F +ATOM 3553 C C . PHE A 1 441 ? -2.998 -5.782 -8.609 1.0 97.31 ? 441 PHE A C 1 O49373 UNP 441 F +ATOM 3554 C CB . PHE A 1 441 ? -5.385 -6.415 -9.217 1.0 97.31 ? 441 PHE A CB 1 O49373 UNP 441 F +ATOM 3555 O O . PHE A 1 441 ? -2.855 -6.797 -7.926 1.0 97.31 ? 441 PHE A O 1 O49373 UNP 441 F +ATOM 3556 C CG . PHE A 1 441 ? -5.878 -6.059 -7.825 1.0 97.31 ? 441 PHE A CG 1 O49373 UNP 441 F +ATOM 3557 C CD1 . PHE A 1 441 ? -5.894 -7.033 -6.809 1.0 97.31 ? 441 PHE A CD1 1 O49373 UNP 441 F +ATOM 3558 C CD2 . PHE A 1 441 ? -6.334 -4.756 -7.547 1.0 97.31 ? 441 PHE A CD2 1 O49373 UNP 441 F +ATOM 3559 C CE1 . PHE A 1 441 ? -6.374 -6.711 -5.527 1.0 97.31 ? 441 PHE A CE1 1 O49373 UNP 441 F +ATOM 3560 C CE2 . PHE A 1 441 ? -6.816 -4.438 -6.267 1.0 97.31 ? 441 PHE A CE2 1 O49373 UNP 441 F +ATOM 3561 C CZ . PHE A 1 441 ? -6.835 -5.412 -5.256 1.0 97.31 ? 441 PHE A CZ 1 O49373 UNP 441 F +ATOM 3562 N N . LEU A 1 442 ? -2.188 -4.729 -8.493 1.0 96.94 ? 442 LEU A N 1 O49373 UNP 442 L +ATOM 3563 C CA . LEU A 1 442 ? -0.954 -4.718 -7.701 1.0 96.94 ? 442 LEU A CA 1 O49373 UNP 442 L +ATOM 3564 C C . LEU A 1 442 ? -1.116 -4.249 -6.246 1.0 96.94 ? 442 LEU A C 1 O49373 UNP 442 L +ATOM 3565 C CB . LEU A 1 442 ? 0.093 -3.869 -8.440 1.0 96.94 ? 442 LEU A CB 1 O49373 UNP 442 L +ATOM 3566 O O . LEU A 1 442 ? -0.107 -4.059 -5.568 1.0 96.94 ? 442 LEU A O 1 O49373 UNP 442 L +ATOM 3567 C CG . LEU A 1 442 ? 0.811 -4.554 -9.608 1.0 96.94 ? 442 LEU A CG 1 O49373 UNP 442 L +ATOM 3568 C CD1 . LEU A 1 442 ? 1.721 -3.493 -10.222 1.0 96.94 ? 442 LEU A CD1 1 O49373 UNP 442 L +ATOM 3569 C CD2 . LEU A 1 442 ? 1.702 -5.715 -9.159 1.0 96.94 ? 442 LEU A CD2 1 O49373 UNP 442 L +ATOM 3570 N N . SER A 1 443 ? -2.333 -4.077 -5.722 1.0 97.60 ? 443 SER A N 1 O49373 UNP 443 S +ATOM 3571 C CA . SER A 1 443 ? -2.532 -3.584 -4.344 1.0 97.60 ? 443 SER A CA 1 O49373 UNP 443 S +ATOM 3572 C C . SER A 1 443 ? -1.939 -4.524 -3.288 1.0 97.60 ? 443 SER A C 1 O49373 UNP 443 S +ATOM 3573 C CB . SER A 1 443 ? -4.016 -3.313 -4.077 1.0 97.60 ? 443 SER A CB 1 O49373 UNP 443 S +ATOM 3574 O O . SER A 1 443 ? -1.476 -4.077 -2.244 1.0 97.60 ? 443 SER A O 1 O49373 UNP 443 S +ATOM 3575 O OG . SER A 1 443 ? -4.492 -2.519 -5.148 1.0 97.60 ? 443 SER A OG 1 O49373 UNP 443 S +ATOM 3576 N N . PHE A 1 444 ? -1.841 -5.820 -3.605 1.0 97.63 ? 444 PHE A N 1 O49373 UNP 444 F +ATOM 3577 C CA . PHE A 1 444 ? -1.102 -6.811 -2.817 1.0 97.63 ? 444 PHE A CA 1 O49373 UNP 444 F +ATOM 3578 C C . PHE A 1 444 ? 0.229 -7.216 -3.453 1.0 97.63 ? 444 PHE A C 1 O49373 UNP 444 F +ATOM 3579 C CB . PHE A 1 444 ? -1.996 -8.020 -2.534 1.0 97.63 ? 444 PHE A CB 1 O49373 UNP 444 F +ATOM 3580 O O . PHE A 1 444 ? 0.782 -8.253 -3.099 1.0 97.63 ? 444 PHE A O 1 O49373 UNP 444 F +ATOM 3581 C CG . PHE A 1 444 ? -3.196 -7.674 -1.688 1.0 97.63 ? 444 PHE A CG 1 O49373 UNP 444 F +ATOM 3582 C CD1 . PHE A 1 444 ? -3.028 -7.367 -0.325 1.0 97.63 ? 444 PHE A CD1 1 O49373 UNP 444 F +ATOM 3583 C CD2 . PHE A 1 444 ? -4.477 -7.638 -2.267 1.0 97.63 ? 444 PHE A CD2 1 O49373 UNP 444 F +ATOM 3584 C CE1 . PHE A 1 444 ? -4.144 -7.040 0.463 1.0 97.63 ? 444 PHE A CE1 1 O49373 UNP 444 F +ATOM 3585 C CE2 . PHE A 1 444 ? -5.593 -7.321 -1.476 1.0 97.63 ? 444 PHE A CE2 1 O49373 UNP 444 F +ATOM 3586 C CZ . PHE A 1 444 ? -5.424 -7.024 -0.112 1.0 97.63 ? 444 PHE A CZ 1 O49373 UNP 444 F +ATOM 3587 N N . ASN A 1 445 ? 0.772 -6.408 -4.362 1.0 96.49 ? 445 ASN A N 1 O49373 UNP 445 N +ATOM 3588 C CA . ASN A 1 445 ? 1.980 -6.701 -5.127 1.0 96.49 ? 445 ASN A CA 1 O49373 UNP 445 N +ATOM 3589 C C . ASN A 1 445 ? 1.855 -7.996 -5.974 1.0 96.49 ? 445 ASN A C 1 O49373 UNP 445 N +ATOM 3590 C CB . ASN A 1 445 ? 3.156 -6.656 -4.125 1.0 96.49 ? 445 ASN A CB 1 O49373 UNP 445 N +ATOM 3591 O O . ASN A 1 445 ? 0.802 -8.631 -6.014 1.0 96.49 ? 445 ASN A O 1 O49373 UNP 445 N +ATOM 3592 C CG . ASN A 1 445 ? 4.474 -6.251 -4.731 1.0 96.49 ? 445 ASN A CG 1 O49373 UNP 445 N +ATOM 3593 N ND2 . ASN A 1 445 ? 5.468 -5.997 -3.917 1.0 96.49 ? 445 ASN A ND2 1 O49373 UNP 445 N +ATOM 3594 O OD1 . ASN A 1 445 ? 4.641 -6.154 -5.929 1.0 96.49 ? 445 ASN A OD1 1 O49373 UNP 445 N +ATOM 3595 N N . ALA A 1 446 ? 2.916 -8.388 -6.682 1.0 96.33 ? 446 ALA A N 1 O49373 UNP 446 A +ATOM 3596 C CA . ALA A 1 446 ? 2.920 -9.585 -7.528 1.0 96.33 ? 446 ALA A CA 1 O49373 UNP 446 A +ATOM 3597 C C . ALA A 1 446 ? 4.217 -10.400 -7.406 1.0 96.33 ? 446 ALA A C 1 O49373 UNP 446 A +ATOM 3598 C CB . ALA A 1 446 ? 2.637 -9.168 -8.979 1.0 96.33 ? 446 ALA A CB 1 O49373 UNP 446 A +ATOM 3599 O O . ALA A 1 446 ? 5.228 -9.938 -6.862 1.0 96.33 ? 446 ALA A O 1 O49373 UNP 446 A +ATOM 3600 N N . GLY A 1 447 ? 4.167 -11.630 -7.925 1.0 95.62 ? 447 GLY A N 1 O49373 UNP 447 G +ATOM 3601 C CA . GLY A 1 447 ? 5.305 -12.542 -7.995 1.0 95.62 ? 447 GLY A CA 1 O49373 UNP 447 G +ATOM 3602 C C . GLY A 1 447 ? 5.867 -12.913 -6.614 1.0 95.62 ? 447 GLY A C 1 O49373 UNP 447 G +ATOM 3603 O O . GLY A 1 447 ? 5.130 -12.924 -5.619 1.0 95.62 ? 447 GLY A O 1 O49373 UNP 447 G +ATOM 3604 N N . PRO A 1 448 ? 7.180 -13.178 -6.503 1.0 95.88 ? 448 PRO A N 1 O49373 UNP 448 P +ATOM 3605 C CA . PRO A 1 448 ? 7.814 -13.584 -5.243 1.0 95.88 ? 448 PRO A CA 1 O49373 UNP 448 P +ATOM 3606 C C . PRO A 1 448 ? 7.665 -12.571 -4.091 1.0 95.88 ? 448 PRO A C 1 O49373 UNP 448 P +ATOM 3607 C CB . PRO A 1 448 ? 9.284 -13.819 -5.609 1.0 95.88 ? 448 PRO A CB 1 O49373 UNP 448 P +ATOM 3608 O O . PRO A 1 448 ? 7.802 -12.935 -2.923 1.0 95.88 ? 448 PRO A O 1 O49373 UNP 448 P +ATOM 3609 C CG . PRO A 1 448 ? 9.229 -14.203 -7.086 1.0 95.88 ? 448 PRO A CG 1 O49373 UNP 448 P +ATOM 3610 C CD . PRO A 1 448 ? 8.121 -13.299 -7.611 1.0 95.88 ? 448 PRO A CD 1 O49373 UNP 448 P +ATOM 3611 N N . ARG A 1 449 ? 7.363 -11.299 -4.397 1.0 95.67 ? 449 ARG A N 1 O49373 UNP 449 R +ATOM 3612 C CA . ARG A 1 449 ? 7.165 -10.205 -3.424 1.0 95.67 ? 449 ARG A CA 1 O49373 UNP 449 R +ATOM 3613 C C . ARG A 1 449 ? 5.690 -9.911 -3.109 1.0 95.67 ? 449 ARG A C 1 O49373 UNP 449 R +ATOM 3614 C CB . ARG A 1 449 ? 7.904 -8.942 -3.906 1.0 95.67 ? 449 ARG A CB 1 O49373 UNP 449 R +ATOM 3615 O O . ARG A 1 449 ? 5.423 -8.897 -2.467 1.0 95.67 ? 449 ARG A O 1 O49373 UNP 449 R +ATOM 3616 C CG . ARG A 1 449 ? 9.433 -9.035 -3.820 1.0 95.67 ? 449 ARG A CG 1 O49373 UNP 449 R +ATOM 3617 C CD . ARG A 1 449 ? 10.010 -8.662 -2.448 1.0 95.67 ? 449 ARG A CD 1 O49373 UNP 449 R +ATOM 3618 N NE . ARG A 1 449 ? 11.482 -8.657 -2.515 1.0 95.67 ? 449 ARG A NE 1 O49373 UNP 449 R +ATOM 3619 N NH1 . ARG A 1 449 ? 12.058 -7.337 -0.676 1.0 95.67 ? 449 ARG A NH1 1 O49373 UNP 449 R +ATOM 3620 N NH2 . ARG A 1 449 ? 13.584 -7.971 -2.117 1.0 95.67 ? 449 ARG A NH2 1 O49373 UNP 449 R +ATOM 3621 C CZ . ARG A 1 449 ? 12.346 -8.002 -1.757 1.0 95.67 ? 449 ARG A CZ 1 O49373 UNP 449 R +ATOM 3622 N N . THR A 1 450 ? 4.751 -10.776 -3.506 1.0 96.74 ? 450 THR A N 1 O49373 UNP 450 T +ATOM 3623 C CA . THR A 1 450 ? 3.318 -10.665 -3.146 1.0 96.74 ? 450 THR A CA 1 O49373 UNP 450 T +ATOM 3624 C C . THR A 1 450 ? 3.145 -10.420 -1.639 1.0 96.74 ? 450 THR A C 1 O49373 UNP 450 T +ATOM 3625 C CB . THR A 1 450 ? 2.550 -11.925 -3.577 1.0 96.74 ? 450 THR A CB 1 O49373 UNP 450 T +ATOM 3626 O O . THR A 1 450 ? 3.912 -10.943 -0.838 1.0 96.74 ? 450 THR A O 1 O49373 UNP 450 T +ATOM 3627 C CG2 . THR A 1 450 ? 1.053 -11.853 -3.274 1.0 96.74 ? 450 THR A CG2 1 O49373 UNP 450 T +ATOM 3628 O OG1 . THR A 1 450 ? 2.658 -12.083 -4.973 1.0 96.74 ? 450 THR A OG1 1 O49373 UNP 450 T +ATOM 3629 N N . CYS A 1 451 ? 2.183 -9.613 -1.213 1.0 97.59 ? 451 CYS A N 1 O49373 UNP 451 C +ATOM 3630 C CA . CYS A 1 451 ? 1.978 -9.224 0.180 1.0 97.59 ? 451 CYS A CA 1 O49373 UNP 451 C +ATOM 3631 C C . CYS A 1 451 ? 1.806 -10.447 1.096 1.0 97.59 ? 451 CYS A C 1 O49373 UNP 451 C +ATOM 3632 C CB . CYS A 1 451 ? 0.758 -8.298 0.247 1.0 97.59 ? 451 CYS A CB 1 O49373 UNP 451 C +ATOM 3633 O O . CYS A 1 451 ? 0.976 -11.315 0.830 1.0 97.59 ? 451 CYS A O 1 O49373 UNP 451 C +ATOM 3634 S SG . CYS A 1 451 ? 0.525 -7.731 1.954 1.0 97.59 ? 451 CYS A SG 1 O49373 UNP 451 C +ATOM 3635 N N . LEU A 1 452 ? 2.583 -10.502 2.184 1.0 95.82 ? 452 LEU A N 1 O49373 UNP 452 L +ATOM 3636 C CA . LEU A 1 452 ? 2.481 -11.558 3.199 1.0 95.82 ? 452 LEU A CA 1 O49373 UNP 452 L +ATOM 3637 C C . LEU A 1 452 ? 1.163 -11.494 3.971 1.0 95.82 ? 452 LEU A C 1 O49373 UNP 452 L +ATOM 3638 C CB . LEU A 1 452 ? 3.637 -11.408 4.201 1.0 95.82 ? 452 LEU A CB 1 O49373 UNP 452 L +ATOM 3639 O O . LEU A 1 452 ? 0.576 -12.522 4.282 1.0 95.82 ? 452 LEU A O 1 O49373 UNP 452 L +ATOM 3640 C CG . LEU A 1 452 ? 5.007 -11.853 3.689 1.0 95.82 ? 452 LEU A CG 1 O49373 UNP 452 L +ATOM 3641 C CD1 . LEU A 1 452 ? 6.089 -11.556 4.723 1.0 95.82 ? 452 LEU A CD1 1 O49373 UNP 452 L +ATOM 3642 C CD2 . LEU A 1 452 ? 5.014 -13.351 3.421 1.0 95.82 ? 452 LEU A CD2 1 O49373 UNP 452 L +ATOM 3643 N N . GLY A 1 453 ? 0.703 -10.277 4.256 1.0 95.34 ? 453 GLY A N 1 O49373 UNP 453 G +ATOM 3644 C CA . GLY A 1 453 ? -0.505 -10.018 5.027 1.0 95.34 ? 453 GLY A CA 1 O49373 UNP 453 G +ATOM 3645 C C . GLY A 1 453 ? -1.785 -9.985 4.197 1.0 95.34 ? 453 GLY A C 1 O49373 UNP 453 G +ATOM 3646 O O . GLY A 1 453 ? -2.786 -9.522 4.716 1.0 95.34 ? 453 GLY A O 1 O49373 UNP 453 G +ATOM 3647 N N . LYS A 1 454 ? -1.791 -10.427 2.927 1.0 95.90 ? 454 LYS A N 1 O49373 UNP 454 K +ATOM 3648 C CA . LYS A 1 454 ? -2.965 -10.296 2.037 1.0 95.90 ? 454 LYS A CA 1 O49373 UNP 454 K +ATOM 3649 C C . LYS A 1 454 ? -4.241 -10.879 2.653 1.0 95.90 ? 454 LYS A C 1 O49373 UNP 454 K +ATOM 3650 C CB . LYS A 1 454 ? -2.667 -10.930 0.665 1.0 95.90 ? 454 LYS A CB 1 O49373 UNP 454 K +ATOM 3651 O O . LYS A 1 454 ? -5.258 -10.195 2.703 1.0 95.90 ? 454 LYS A O 1 O49373 UNP 454 K +ATOM 3652 C CG . LYS A 1 454 ? -3.902 -10.915 -0.255 1.0 95.90 ? 454 LYS A CG 1 O49373 UNP 454 K +ATOM 3653 C CD . LYS A 1 454 ? -3.606 -11.478 -1.649 1.0 95.90 ? 454 LYS A CD 1 O49373 UNP 454 K +ATOM 3654 C CE . LYS A 1 454 ? -4.894 -11.419 -2.480 1.0 95.90 ? 454 LYS A CE 1 O49373 UNP 454 K +ATOM 3655 N NZ . LYS A 1 454 ? -4.729 -12.037 -3.820 1.0 95.90 ? 454 LYS A NZ 1 O49373 UNP 454 K +ATOM 3656 N N . HIS A 1 455 ? -4.185 -12.133 3.103 1.0 93.13 ? 455 HIS A N 1 O49373 UNP 455 H +ATOM 3657 C CA . HIS A 1 455 ? -5.341 -12.811 3.697 1.0 93.13 ? 455 HIS A CA 1 O49373 UNP 455 H +ATOM 3658 C C . HIS A 1 455 ? -5.766 -12.139 4.997 1.0 93.13 ? 455 HIS A C 1 O49373 UNP 455 H +ATOM 3659 C CB . HIS A 1 455 ? -5.018 -14.292 3.925 1.0 93.13 ? 455 HIS A CB 1 O49373 UNP 455 H +ATOM 3660 O O . HIS A 1 455 ? -6.938 -11.812 5.154 1.0 93.13 ? 455 HIS A O 1 O49373 UNP 455 H +ATOM 3661 C CG . HIS A 1 455 ? -4.888 -15.035 2.626 1.0 93.13 ? 455 HIS A CG 1 O49373 UNP 455 H +ATOM 3662 C CD2 . HIS A 1 455 ? -3.730 -15.390 1.989 1.0 93.13 ? 455 HIS A CD2 1 O49373 UNP 455 H +ATOM 3663 N ND1 . HIS A 1 455 ? -5.935 -15.447 1.835 1.0 93.13 ? 455 HIS A ND1 1 O49373 UNP 455 H +ATOM 3664 C CE1 . HIS A 1 455 ? -5.420 -16.039 0.746 1.0 93.13 ? 455 HIS A CE1 1 O49373 UNP 455 H +ATOM 3665 N NE2 . HIS A 1 455 ? -4.078 -15.993 0.776 1.0 93.13 ? 455 HIS A NE2 1 O49373 UNP 455 H +ATOM 3666 N N . LEU A 1 456 ? -4.792 -11.851 5.866 1.0 93.39 ? 456 LEU A N 1 O49373 UNP 456 L +ATOM 3667 C CA . LEU A 1 456 ? -5.034 -11.151 7.117 1.0 93.39 ? 456 LEU A CA 1 O49373 UNP 456 L +ATOM 3668 C C . LEU A 1 456 ? -5.745 -9.814 6.870 1.0 93.39 ? 456 LEU A C 1 O49373 UNP 456 L +ATOM 3669 C CB . LEU A 1 456 ? -3.704 -10.991 7.877 1.0 93.39 ? 456 LEU A CB 1 O49373 UNP 456 L +ATOM 3670 O O . LEU A 1 456 ? -6.840 -9.622 7.382 1.0 93.39 ? 456 LEU A O 1 O49373 UNP 456 L +ATOM 3671 C CG . LEU A 1 456 ? -3.842 -10.172 9.171 1.0 93.39 ? 456 LEU A CG 1 O49373 UNP 456 L +ATOM 3672 C CD1 . LEU A 1 456 ? -4.878 -10.779 10.110 1.0 93.39 ? 456 LEU A CD1 1 O49373 UNP 456 L +ATOM 3673 C CD2 . LEU A 1 456 ? -2.495 -10.093 9.889 1.0 93.39 ? 456 LEU A CD2 1 O49373 UNP 456 L +ATOM 3674 N N . ALA A 1 457 ? -5.174 -8.941 6.036 1.0 96.36 ? 457 ALA A N 1 O49373 UNP 457 A +ATOM 3675 C CA . ALA A 1 457 ? -5.718 -7.626 5.704 1.0 96.36 ? 457 ALA A CA 1 O49373 UNP 457 A +ATOM 3676 C C . ALA A 1 457 ? -7.146 -7.712 5.150 1.0 96.36 ? 457 ALA A C 1 O49373 UNP 457 A +ATOM 3677 C CB . ALA A 1 457 ? -4.776 -6.942 4.707 1.0 96.36 ? 457 ALA A CB 1 O49373 UNP 457 A +ATOM 3678 O O . ALA A 1 457 ? -8.017 -6.975 5.603 1.0 96.36 ? 457 ALA A O 1 O49373 UNP 457 A +ATOM 3679 N N . MET A 1 458 ? -7.417 -8.633 4.214 1.0 95.92 ? 458 MET A N 1 O49373 UNP 458 M +ATOM 3680 C CA . MET A 1 458 ? -8.770 -8.823 3.676 1.0 95.92 ? 458 MET A CA 1 O49373 UNP 458 M +ATOM 3681 C C . MET A 1 458 ? -9.767 -9.237 4.759 1.0 95.92 ? 458 MET A C 1 O49373 UNP 458 M +ATOM 3682 C CB . MET A 1 458 ? -8.772 -9.852 2.535 1.0 95.92 ? 458 MET A CB 1 O49373 UNP 458 M +ATOM 3683 O O . MET A 1 458 ? -10.861 -8.679 4.811 1.0 95.92 ? 458 MET A O 1 O49373 UNP 458 M +ATOM 3684 C CG . MET A 1 458 ? -8.159 -9.295 1.246 1.0 95.92 ? 458 MET A CG 1 O49373 UNP 458 M +ATOM 3685 S SD . MET A 1 458 ? -8.995 -7.839 0.551 1.0 95.92 ? 458 MET A SD 1 O49373 UNP 458 M +ATOM 3686 C CE . MET A 1 458 ? -10.453 -8.562 -0.238 1.0 95.92 ? 458 MET A CE 1 O49373 UNP 458 M +ATOM 3687 N N . THR A 1 459 ? -9.388 -10.161 5.644 1.0 93.52 ? 459 THR A N 1 O49373 UNP 459 T +ATOM 3688 C CA . THR A 1 459 ? -10.216 -10.543 6.792 1.0 93.52 ? 459 THR A CA 1 O49373 UNP 459 T +ATOM 3689 C C . THR A 1 459 ? -10.480 -9.343 7.705 1.0 93.52 ? 459 THR A C 1 O49373 UNP 459 T +ATOM 3690 C CB . THR A 1 459 ? -9.566 -11.696 7.571 1.0 93.52 ? 459 THR A CB 1 O49373 UNP 459 T +ATOM 3691 O O . THR A 1 459 ? -11.638 -9.097 8.040 1.0 93.52 ? 459 THR A O 1 O49373 UNP 459 T +ATOM 3692 C CG2 . THR A 1 459 ? -10.328 -12.078 8.832 1.0 93.52 ? 459 THR A CG2 1 O49373 UNP 459 T +ATOM 3693 O OG1 . THR A 1 459 ? -9.529 -12.862 6.783 1.0 93.52 ? 459 THR A OG1 1 O49373 UNP 459 T +ATOM 3694 N N . GLN A 1 460 ? -9.454 -8.552 8.062 1.0 93.57 ? 460 GLN A N 1 O49373 UNP 460 Q +ATOM 3695 C CA . GLN A 1 460 ? -9.654 -7.404 8.962 1.0 93.57 ? 460 GLN A CA 1 O49373 UNP 460 Q +ATOM 3696 C C . GLN A 1 460 ? -10.563 -6.348 8.342 1.0 93.57 ? 460 GLN A C 1 O49373 UNP 460 Q +ATOM 3697 C CB . GLN A 1 460 ? -8.358 -6.734 9.478 1.0 93.57 ? 460 GLN A CB 1 O49373 UNP 460 Q +ATOM 3698 O O . GLN A 1 460 ? -11.495 -5.878 8.991 1.0 93.57 ? 460 GLN A O 1 O49373 UNP 460 Q +ATOM 3699 C CG . GLN A 1 460 ? -7.078 -7.573 9.506 1.0 93.57 ? 460 GLN A CG 1 O49373 UNP 460 Q +ATOM 3700 C CD . GLN A 1 460 ? -5.958 -6.963 10.331 1.0 93.57 ? 460 GLN A CD 1 O49373 UNP 460 Q +ATOM 3701 N NE2 . GLN A 1 460 ? -5.622 -7.482 11.492 1.0 93.57 ? 460 GLN A NE2 1 O49373 UNP 460 Q +ATOM 3702 O OE1 . GLN A 1 460 ? -5.326 -6.015 9.910 1.0 93.57 ? 460 GLN A OE1 1 O49373 UNP 460 Q +ATOM 3703 N N . MET A 1 461 ? -10.333 -6.012 7.070 1.0 97.60 ? 461 MET A N 1 O49373 UNP 461 M +ATOM 3704 C CA . MET A 1 461 ? -11.158 -5.031 6.372 1.0 97.60 ? 461 MET A CA 1 O49373 UNP 461 M +ATOM 3705 C C . MET A 1 461 ? -12.613 -5.482 6.276 1.0 97.60 ? 461 MET A C 1 O49373 UNP 461 M +ATOM 3706 C CB . MET A 1 461 ? -10.614 -4.759 4.968 1.0 97.60 ? 461 MET A CB 1 O49373 UNP 461 M +ATOM 3707 O O . MET A 1 461 ? -13.509 -4.677 6.510 1.0 97.60 ? 461 MET A O 1 O49373 UNP 461 M +ATOM 3708 C CG . MET A 1 461 ? -9.288 -4.000 5.003 1.0 97.60 ? 461 MET A CG 1 O49373 UNP 461 M +ATOM 3709 S SD . MET A 1 461 ? -8.689 -3.489 3.372 1.0 97.60 ? 461 MET A SD 1 O49373 UNP 461 M +ATOM 3710 C CE . MET A 1 461 ? -8.246 -5.091 2.664 1.0 97.60 ? 461 MET A CE 1 O49373 UNP 461 M +ATOM 3711 N N . LYS A 1 462 ? -12.862 -6.764 5.981 1.0 95.86 ? 462 LYS A N 1 O49373 UNP 462 K +ATOM 3712 C CA . LYS A 1 462 ? -14.221 -7.309 5.937 1.0 95.86 ? 462 LYS A CA 1 O49373 UNP 462 K +ATOM 3713 C C . LYS A 1 462 ? -14.901 -7.273 7.304 1.0 95.86 ? 462 LYS A C 1 O49373 UNP 462 K +ATOM 3714 C CB . LYS A 1 462 ? -14.209 -8.739 5.403 1.0 95.86 ? 462 LYS A CB 1 O49373 UNP 462 K +ATOM 3715 O O . LYS A 1 462 ? -16.046 -6.852 7.370 1.0 95.86 ? 462 LYS A O 1 O49373 UNP 462 K +ATOM 3716 C CG . LYS A 1 462 ? -14.018 -8.842 3.882 1.0 95.86 ? 462 LYS A CG 1 O49373 UNP 462 K +ATOM 3717 C CD . LYS A 1 462 ? -14.086 -10.323 3.496 1.0 95.86 ? 462 LYS A CD 1 O49373 UNP 462 K +ATOM 3718 C CE . LYS A 1 462 ? -14.182 -10.580 1.997 1.0 95.86 ? 462 LYS A CE 1 O49373 UNP 462 K +ATOM 3719 N NZ . LYS A 1 462 ? -14.590 -11.992 1.761 1.0 95.86 ? 462 LYS A NZ 1 O49373 UNP 462 K +ATOM 3720 N N . ILE A 1 463 ? -14.220 -7.671 8.379 1.0 93.88 ? 463 ILE A N 1 O49373 UNP 463 I +ATOM 3721 C CA . ILE A 1 463 ? -14.795 -7.654 9.736 1.0 93.88 ? 463 ILE A CA 1 O49373 UNP 463 I +ATOM 3722 C C . ILE A 1 463 ? -15.182 -6.230 10.144 1.0 93.88 ? 463 ILE A C 1 O49373 UNP 463 I +ATOM 3723 C CB . ILE A 1 463 ? -13.825 -8.325 10.737 1.0 93.88 ? 463 ILE A CB 1 O49373 UNP 463 I +ATOM 3724 O O . ILE A 1 463 ? -16.308 -6.005 10.582 1.0 93.88 ? 463 ILE A O 1 O49373 UNP 463 I +ATOM 3725 C CG1 . ILE A 1 463 ? -13.878 -9.851 10.501 1.0 93.88 ? 463 ILE A CG1 1 O49373 UNP 463 I +ATOM 3726 C CG2 . ILE A 1 463 ? -14.183 -7.988 12.197 1.0 93.88 ? 463 ILE A CG2 1 O49373 UNP 463 I +ATOM 3727 C CD1 . ILE A 1 463 ? -12.828 -10.679 11.247 1.0 93.88 ? 463 ILE A CD1 1 O49373 UNP 463 I +ATOM 3728 N N . VAL A 1 464 ? -14.288 -5.260 9.931 1.0 95.75 ? 464 VAL A N 1 O49373 UNP 464 V +ATOM 3729 C CA . VAL A 1 464 ? -14.571 -3.843 10.208 1.0 95.75 ? 464 VAL A CA 1 O49373 UNP 464 V +ATOM 3730 C C . VAL A 1 464 ? -15.721 -3.330 9.340 1.0 95.75 ? 464 VAL A C 1 O49373 UNP 464 V +ATOM 3731 C CB . VAL A 1 464 ? -13.305 -2.992 9.998 1.0 95.75 ? 464 VAL A CB 1 O49373 UNP 464 V +ATOM 3732 O O . VAL A 1 464 ? -16.623 -2.667 9.846 1.0 95.75 ? 464 VAL A O 1 O49373 UNP 464 V +ATOM 3733 C CG1 . VAL A 1 464 ? -13.586 -1.489 10.107 1.0 95.75 ? 464 VAL A CG1 1 O49373 UNP 464 V +ATOM 3734 C CG2 . VAL A 1 464 ? -12.242 -3.332 11.048 1.0 95.75 ? 464 VAL A CG2 1 O49373 UNP 464 V +ATOM 3735 N N . ALA A 1 465 ? -15.723 -3.656 8.045 1.0 96.49 ? 465 ALA A N 1 O49373 UNP 465 A +ATOM 3736 C CA . ALA A 1 465 ? -16.784 -3.244 7.134 1.0 96.49 ? 465 ALA A CA 1 O49373 UNP 465 A +ATOM 3737 C C . ALA A 1 465 ? -18.147 -3.823 7.535 1.0 96.49 ? 465 ALA A C 1 O49373 UNP 465 A +ATOM 3738 C CB . ALA A 1 465 ? -16.404 -3.630 5.702 1.0 96.49 ? 465 ALA A CB 1 O49373 UNP 465 A +ATOM 3739 O O . ALA A 1 465 ? -19.127 -3.087 7.541 1.0 96.49 ? 465 ALA A O 1 O49373 UNP 465 A +ATOM 3740 N N . VAL A 1 466 ? -18.215 -5.106 7.901 1.0 93.98 ? 466 VAL A N 1 O49373 UNP 466 V +ATOM 3741 C CA . VAL A 1 466 ? -19.451 -5.760 8.354 1.0 93.98 ? 466 VAL A CA 1 O49373 UNP 466 V +ATOM 3742 C C . VAL A 1 466 ? -19.974 -5.114 9.627 1.0 93.98 ? 466 VAL A C 1 O49373 UNP 466 V +ATOM 3743 C CB . VAL A 1 466 ? -19.242 -7.271 8.571 1.0 93.98 ? 466 VAL A CB 1 O49373 UNP 466 V +ATOM 3744 O O . VAL A 1 466 ? -21.152 -4.776 9.672 1.0 93.98 ? 466 VAL A O 1 O49373 UNP 466 V +ATOM 3745 C CG1 . VAL A 1 466 ? -20.424 -7.954 9.277 1.0 93.98 ? 466 VAL A CG1 1 O49373 UNP 466 V +ATOM 3746 C CG2 . VAL A 1 466 ? -19.066 -7.983 7.227 1.0 93.98 ? 466 VAL A CG2 1 O49373 UNP 466 V +ATOM 3747 N N . GLU A 1 467 ? -19.119 -4.913 10.631 1.0 93.10 ? 467 GLU A N 1 O49373 UNP 467 E +ATOM 3748 C CA . GLU A 1 467 ? -19.514 -4.288 11.898 1.0 93.10 ? 467 GLU A CA 1 O49373 UNP 467 E +ATOM 3749 C C . GLU A 1 467 ? -20.126 -2.905 11.664 1.0 93.10 ? 467 GLU A C 1 O49373 UNP 467 E +ATOM 3750 C CB . GLU A 1 467 ? -18.277 -4.187 12.805 1.0 93.10 ? 467 GLU A CB 1 O49373 UNP 467 E +ATOM 3751 O O . GLU A 1 467 ? -21.229 -2.609 12.124 1.0 93.10 ? 467 GLU A O 1 O49373 UNP 467 E +ATOM 3752 C CG . GLU A 1 467 ? -18.570 -3.565 14.181 1.0 93.10 ? 467 GLU A CG 1 O49373 UNP 467 E +ATOM 3753 C CD . GLU A 1 467 ? -19.633 -4.336 14.971 1.0 93.10 ? 467 GLU A CD 1 O49373 UNP 467 E +ATOM 3754 O OE1 . GLU A 1 467 ? -20.421 -3.668 15.674 1.0 93.10 ? 467 GLU A OE1 1 O49373 UNP 467 E +ATOM 3755 O OE2 . GLU A 1 467 ? -19.677 -5.582 14.855 1.0 93.10 ? 467 GLU A OE2 1 O49373 UNP 467 E +ATOM 3756 N N . ILE A 1 468 ? -19.436 -2.075 10.881 1.0 95.54 ? 468 ILE A N 1 O49373 UNP 468 I +ATOM 3757 C CA . ILE A 1 468 ? -19.879 -0.711 10.614 1.0 95.54 ? 468 ILE A CA 1 O49373 UNP 468 I +ATOM 3758 C C . ILE A 1 468 ? -21.167 -0.702 9.787 1.0 95.54 ? 468 ILE A C 1 O49373 UNP 468 I +ATOM 3759 C CB . ILE A 1 468 ? -18.744 0.096 9.972 1.0 95.54 ? 468 ILE A CB 1 O49373 UNP 468 I +ATOM 3760 O O . ILE A 1 468 ? -22.138 -0.063 10.175 1.0 95.54 ? 468 ILE A O 1 O49373 UNP 468 I +ATOM 3761 C CG1 . ILE A 1 468 ? -17.626 0.332 11.011 1.0 95.54 ? 468 ILE A CG1 1 O49373 UNP 468 I +ATOM 3762 C CG2 . ILE A 1 468 ? -19.272 1.436 9.447 1.0 95.54 ? 468 ILE A CG2 1 O49373 UNP 468 I +ATOM 3763 C CD1 . ILE A 1 468 ? -16.388 1.045 10.461 1.0 95.54 ? 468 ILE A CD1 1 O49373 UNP 468 I +ATOM 3764 N N . LEU A 1 469 ? -21.198 -1.420 8.662 1.0 94.73 ? 469 LEU A N 1 O49373 UNP 469 L +ATOM 3765 C CA . LEU A 1 469 ? -22.341 -1.412 7.748 1.0 94.73 ? 469 LEU A CA 1 O49373 UNP 469 L +ATOM 3766 C C . LEU A 1 469 ? -23.581 -2.066 8.374 1.0 94.73 ? 469 LEU A C 1 O49373 UNP 469 L +ATOM 3767 C CB . LEU A 1 469 ? -21.930 -2.100 6.430 1.0 94.73 ? 469 LEU A CB 1 O49373 UNP 469 L +ATOM 3768 O O . LEU A 1 469 ? -24.707 -1.688 8.061 1.0 94.73 ? 469 LEU A O 1 O49373 UNP 469 L +ATOM 3769 C CG . LEU A 1 469 ? -20.891 -1.315 5.604 1.0 94.73 ? 469 LEU A CG 1 O49373 UNP 469 L +ATOM 3770 C CD1 . LEU A 1 469 ? -20.450 -2.153 4.404 1.0 94.73 ? 469 LEU A CD1 1 O49373 UNP 469 L +ATOM 3771 C CD2 . LEU A 1 469 ? -21.449 0.007 5.074 1.0 94.73 ? 469 LEU A CD2 1 O49373 UNP 469 L +ATOM 3772 N N . ARG A 1 470 ? -23.420 -3.042 9.267 1.0 91.45 ? 470 ARG A N 1 O49373 UNP 470 R +ATOM 3773 C CA . ARG A 1 470 ? -24.562 -3.659 9.947 1.0 91.45 ? 470 ARG A CA 1 O49373 UNP 470 R +ATOM 3774 C C . ARG A 1 470 ? -25.200 -2.711 10.960 1.0 91.45 ? 470 ARG A C 1 O49373 UNP 470 R +ATOM 3775 C CB . ARG A 1 470 ? -24.107 -4.971 10.593 1.0 91.45 ? 470 ARG A CB 1 O49373 UNP 470 R +ATOM 3776 O O . ARG A 1 470 ? -26.424 -2.624 11.006 1.0 91.45 ? 470 ARG A O 1 O49373 UNP 470 R +ATOM 3777 C CG . ARG A 1 470 ? -25.291 -5.760 11.158 1.0 91.45 ? 470 ARG A CG 1 O49373 UNP 470 R +ATOM 3778 C CD . ARG A 1 470 ? -24.800 -7.086 11.738 1.0 91.45 ? 470 ARG A CD 1 O49373 UNP 470 R +ATOM 3779 N NE . ARG A 1 470 ? -25.936 -7.930 12.147 1.0 91.45 ? 470 ARG A NE 1 O49373 UNP 470 R +ATOM 3780 N NH1 . ARG A 1 470 ? -24.791 -9.907 12.372 1.0 91.45 ? 470 ARG A NH1 1 O49373 UNP 470 R +ATOM 3781 N NH2 . ARG A 1 470 ? -27.015 -9.898 12.532 1.0 91.45 ? 470 ARG A NH2 1 O49373 UNP 470 R +ATOM 3782 C CZ . ARG A 1 470 ? -25.908 -9.234 12.356 1.0 91.45 ? 470 ARG A CZ 1 O49373 UNP 470 R +ATOM 3783 N N . ASN A 1 471 ? -24.382 -2.015 11.747 1.0 93.22 ? 471 ASN A N 1 O49373 UNP 471 N +ATOM 3784 C CA . ASN A 1 471 ? -24.841 -1.355 12.970 1.0 93.22 ? 471 ASN A CA 1 O49373 UNP 471 N +ATOM 3785 C C . ASN A 1 471 ? -24.933 0.173 12.865 1.0 93.22 ? 471 ASN A C 1 O49373 UNP 471 N +ATOM 3786 C CB . ASN A 1 471 ? -23.930 -1.820 14.118 1.0 93.22 ? 471 ASN A CB 1 O49373 UNP 471 N +ATOM 3787 O O . ASN A 1 471 ? -25.563 0.800 13.719 1.0 93.22 ? 471 ASN A O 1 O49373 UNP 471 N +ATOM 3788 C CG . ASN A 1 471 ? -24.021 -3.320 14.348 1.0 93.22 ? 471 ASN A CG 1 O49373 UNP 471 N +ATOM 3789 N ND2 . ASN A 1 471 ? -22.925 -4.001 14.562 1.0 93.22 ? 471 ASN A ND2 1 O49373 UNP 471 N +ATOM 3790 O OD1 . ASN A 1 471 ? -25.084 -3.919 14.322 1.0 93.22 ? 471 ASN A OD1 1 O49373 UNP 471 N +ATOM 3791 N N . TYR A 1 472 ? -24.348 0.783 11.832 1.0 95.53 ? 472 TYR A N 1 O49373 UNP 472 Y +ATOM 3792 C CA . TYR A 1 472 ? -24.243 2.234 11.723 1.0 95.53 ? 472 TYR A CA 1 O49373 UNP 472 Y +ATOM 3793 C C . TYR A 1 472 ? -24.595 2.748 10.327 1.0 95.53 ? 472 TYR A C 1 O49373 UNP 472 Y +ATOM 3794 C CB . TYR A 1 472 ? -22.836 2.694 12.126 1.0 95.53 ? 472 TYR A CB 1 O49373 UNP 472 Y +ATOM 3795 O O . TYR A 1 472 ? -24.264 2.147 9.306 1.0 95.53 ? 472 TYR A O 1 O49373 UNP 472 Y +ATOM 3796 C CG . TYR A 1 472 ? -22.372 2.225 13.494 1.0 95.53 ? 472 TYR A CG 1 O49373 UNP 472 Y +ATOM 3797 C CD1 . TYR A 1 472 ? -22.637 2.989 14.646 1.0 95.53 ? 472 TYR A CD1 1 O49373 UNP 472 Y +ATOM 3798 C CD2 . TYR A 1 472 ? -21.694 0.999 13.614 1.0 95.53 ? 472 TYR A CD2 1 O49373 UNP 472 Y +ATOM 3799 C CE1 . TYR A 1 472 ? -22.200 2.538 15.908 1.0 95.53 ? 472 TYR A CE1 1 O49373 UNP 472 Y +ATOM 3800 C CE2 . TYR A 1 472 ? -21.236 0.550 14.865 1.0 95.53 ? 472 TYR A CE2 1 O49373 UNP 472 Y +ATOM 3801 O OH . TYR A 1 472 ? -21.071 0.872 17.224 1.0 95.53 ? 472 TYR A OH 1 O49373 UNP 472 Y +ATOM 3802 C CZ . TYR A 1 472 ? -21.490 1.321 16.015 1.0 95.53 ? 472 TYR A CZ 1 O49373 UNP 472 Y +ATOM 3803 N N . ASP A 1 473 ? -25.218 3.921 10.296 1.0 94.66 ? 473 ASP A N 1 O49373 UNP 473 D +ATOM 3804 C CA . ASP A 1 473 ? -25.321 4.753 9.105 1.0 94.66 ? 473 ASP A CA 1 O49373 UNP 473 D +ATOM 3805 C C . ASP A 1 473 ? -24.252 5.841 9.159 1.0 94.66 ? 473 ASP A C 1 O49373 UNP 473 D +ATOM 3806 C CB . ASP A 1 473 ? -26.725 5.351 8.973 1.0 94.66 ? 473 ASP A CB 1 O49373 UNP 473 D +ATOM 3807 O O . ASP A 1 473 ? -24.193 6.632 10.104 1.0 94.66 ? 473 ASP A O 1 O49373 UNP 473 D +ATOM 3808 C CG . ASP A 1 473 ? -27.746 4.307 8.538 1.0 94.66 ? 473 ASP A CG 1 O49373 UNP 473 D +ATOM 3809 O OD1 . ASP A 1 473 ? -27.436 3.549 7.586 1.0 94.66 ? 473 ASP A OD1 1 O49373 UNP 473 D +ATOM 3810 O OD2 . ASP A 1 473 ? -28.835 4.259 9.142 1.0 94.66 ? 473 ASP A OD2 1 O49373 UNP 473 D +ATOM 3811 N N . ILE A 1 474 ? -23.411 5.872 8.125 1.0 94.72 ? 474 ILE A N 1 O49373 UNP 474 I +ATOM 3812 C CA . ILE A 1 474 ? -22.335 6.846 7.954 1.0 94.72 ? 474 ILE A CA 1 O49373 UNP 474 I +ATOM 3813 C C . ILE A 1 474 ? -22.743 7.858 6.890 1.0 94.72 ? 474 ILE A C 1 O49373 UNP 474 I +ATOM 3814 C CB . ILE A 1 474 ? -21.007 6.135 7.607 1.0 94.72 ? 474 ILE A CB 1 O49373 UNP 474 I +ATOM 3815 O O . ILE A 1 474 ? -23.107 7.485 5.773 1.0 94.72 ? 474 ILE A O 1 O49373 UNP 474 I +ATOM 3816 C CG1 . ILE A 1 474 ? -20.538 5.344 8.847 1.0 94.72 ? 474 ILE A CG1 1 O49373 UNP 474 I +ATOM 3817 C CG2 . ILE A 1 474 ? -19.939 7.148 7.149 1.0 94.72 ? 474 ILE A CG2 1 O49373 UNP 474 I +ATOM 3818 C CD1 . ILE A 1 474 ? -19.212 4.606 8.659 1.0 94.72 ? 474 ILE A CD1 1 O49373 UNP 474 I +ATOM 3819 N N . LYS A 1 475 ? -22.618 9.146 7.212 1.0 95.38 ? 475 LYS A N 1 O49373 UNP 475 K +ATOM 3820 C CA . LYS A 1 475 ? -22.804 10.245 6.261 1.0 95.38 ? 475 LYS A CA 1 O49373 UNP 475 K +ATOM 3821 C C . LYS A 1 475 ? -21.534 11.077 6.192 1.0 95.38 ? 475 LYS A C 1 O49373 UNP 475 K +ATOM 3822 C CB . LYS A 1 475 ? -24.014 11.093 6.670 1.0 95.38 ? 475 LYS A CB 1 O49373 UNP 475 K +ATOM 3823 O O . LYS A 1 475 ? -21.098 11.624 7.199 1.0 95.38 ? 475 LYS A O 1 O49373 UNP 475 K +ATOM 3824 C CG . LYS A 1 475 ? -25.329 10.315 6.528 1.0 95.38 ? 475 LYS A CG 1 O49373 UNP 475 K +ATOM 3825 C CD . LYS A 1 475 ? -26.518 11.170 6.976 1.0 95.38 ? 475 LYS A CD 1 O49373 UNP 475 K +ATOM 3826 C CE . LYS A 1 475 ? -27.803 10.346 6.848 1.0 95.38 ? 475 LYS A CE 1 O49373 UNP 475 K +ATOM 3827 N NZ . LYS A 1 475 ? -28.972 11.062 7.413 1.0 95.38 ? 475 LYS A NZ 1 O49373 UNP 475 K +ATOM 3828 N N . VAL A 1 476 ? -20.949 11.185 5.001 1.0 95.99 ? 476 VAL A N 1 O49373 UNP 476 V +ATOM 3829 C CA . VAL A 1 476 ? -19.803 12.073 4.762 1.0 95.99 ? 476 VAL A CA 1 O49373 UNP 476 V +ATOM 3830 C C . VAL A 1 476 ? -20.261 13.528 4.854 1.0 95.99 ? 476 VAL A C 1 O49373 UNP 476 V +ATOM 3831 C CB . VAL A 1 476 ? -19.115 11.761 3.420 1.0 95.99 ? 476 VAL A CB 1 O49373 UNP 476 V +ATOM 3832 O O . VAL A 1 476 ? -21.325 13.889 4.346 1.0 95.99 ? 476 VAL A O 1 O49373 UNP 476 V +ATOM 3833 C CG1 . VAL A 1 476 ? -17.952 12.717 3.120 1.0 95.99 ? 476 VAL A CG1 1 O49373 UNP 476 V +ATOM 3834 C CG2 . VAL A 1 476 ? -18.543 10.337 3.448 1.0 95.99 ? 476 VAL A CG2 1 O49373 UNP 476 V +ATOM 3835 N N . LEU A 1 477 ? -19.461 14.362 5.518 1.0 94.19 ? 477 LEU A N 1 O49373 UNP 477 L +ATOM 3836 C CA . LEU A 1 477 ? -19.751 15.778 5.698 1.0 94.19 ? 477 LEU A CA 1 O49373 UNP 477 L +ATOM 3837 C C . LEU A 1 477 ? -19.812 16.497 4.340 1.0 94.19 ? 477 LEU A C 1 O49373 UNP 477 L +ATOM 3838 C CB . LEU A 1 477 ? -18.689 16.386 6.630 1.0 94.19 ? 477 LEU A CB 1 O49373 UNP 477 L +ATOM 3839 O O . LEU A 1 477 ? -18.886 16.422 3.528 1.0 94.19 ? 477 LEU A O 1 O49373 UNP 477 L +ATOM 3840 C CG . LEU A 1 477 ? -18.972 17.843 7.038 1.0 94.19 ? 477 LEU A CG 1 O49373 UNP 477 L +ATOM 3841 C CD1 . LEU A 1 477 ? -20.199 17.956 7.947 1.0 94.19 ? 477 LEU A CD1 1 O49373 UNP 477 L +ATOM 3842 C CD2 . LEU A 1 477 ? -17.766 18.409 7.787 1.0 94.19 ? 477 LEU A CD2 1 O49373 UNP 477 L +ATOM 3843 N N . GLN A 1 478 ? -20.898 17.233 4.099 1.0 90.73 ? 478 GLN A N 1 O49373 UNP 478 Q +ATOM 3844 C CA . GLN A 1 478 ? -21.084 17.965 2.847 1.0 90.73 ? 478 GLN A CA 1 O49373 UNP 478 Q +ATOM 3845 C C . GLN A 1 478 ? -20.004 19.039 2.649 1.0 90.73 ? 478 GLN A C 1 O49373 UNP 478 Q +ATOM 3846 C CB . GLN A 1 478 ? -22.483 18.590 2.780 1.0 90.73 ? 478 GLN A CB 1 O49373 UNP 478 Q +ATOM 3847 O O . GLN A 1 478 ? -19.617 19.742 3.579 1.0 90.73 ? 478 GLN A O 1 O49373 UNP 478 Q +ATOM 3848 C CG . GLN A 1 478 ? -23.590 17.533 2.650 1.0 90.73 ? 478 GLN A CG 1 O49373 UNP 478 Q +ATOM 3849 C CD . GLN A 1 478 ? -24.952 18.150 2.342 1.0 90.73 ? 478 GLN A CD 1 O49373 UNP 478 Q +ATOM 3850 N NE2 . GLN A 1 478 ? -25.886 17.382 1.827 1.0 90.73 ? 478 GLN A NE2 1 O49373 UNP 478 Q +ATOM 3851 O OE1 . GLN A 1 478 ? -25.206 19.325 2.540 1.0 90.73 ? 478 GLN A OE1 1 O49373 UNP 478 Q +ATOM 3852 N N . GLY A 1 479 ? -19.523 19.179 1.411 1.0 90.60 ? 479 GLY A N 1 O49373 UNP 479 G +ATOM 3853 C CA . GLY A 1 479 ? -18.507 20.170 1.041 1.0 90.60 ? 479 GLY A CA 1 O49373 UNP 479 G +ATOM 3854 C C . GLY A 1 479 ? -17.063 19.776 1.376 1.0 90.60 ? 479 GLY A C 1 O49373 UNP 479 G +ATOM 3855 O O . GLY A 1 479 ? -16.141 20.506 1.002 1.0 90.60 ? 479 GLY A O 1 O49373 UNP 479 G +ATOM 3856 N N . GLN A 1 480 ? -16.828 18.627 2.022 1.0 92.18 ? 480 GLN A N 1 O49373 UNP 480 Q +ATOM 3857 C CA . GLN A 1 480 ? -15.472 18.139 2.254 1.0 92.18 ? 480 GLN A CA 1 O49373 UNP 480 Q +ATOM 3858 C C . GLN A 1 480 ? -14.761 17.855 0.920 1.0 92.18 ? 480 GLN A C 1 O49373 UNP 480 Q +ATOM 3859 C CB . GLN A 1 480 ? -15.477 16.901 3.166 1.0 92.18 ? 480 GLN A CB 1 O49373 UNP 480 Q +ATOM 3860 O O . GLN A 1 480 ? -15.280 17.183 0.029 1.0 92.18 ? 480 GLN A O 1 O49373 UNP 480 Q +ATOM 3861 C CG . GLN A 1 480 ? -14.057 16.616 3.689 1.0 92.18 ? 480 GLN A CG 1 O49373 UNP 480 Q +ATOM 3862 C CD . GLN A 1 480 ? -13.911 15.305 4.449 1.0 92.18 ? 480 GLN A CD 1 O49373 UNP 480 Q +ATOM 3863 N NE2 . GLN A 1 480 ? -12.724 15.015 4.931 1.0 92.18 ? 480 GLN A NE2 1 O49373 UNP 480 Q +ATOM 3864 O OE1 . GLN A 1 480 ? -14.816 14.507 4.593 1.0 92.18 ? 480 GLN A OE1 1 O49373 UNP 480 Q +ATOM 3865 N N . LYS A 1 481 ? -13.527 18.348 0.777 1.0 93.92 ? 481 LYS A N 1 O49373 UNP 481 K +ATOM 3866 C CA . LYS A 1 481 ? -12.701 18.082 -0.403 1.0 93.92 ? 481 LYS A CA 1 O49373 UNP 481 K +ATOM 3867 C C . LYS A 1 481 ? -11.989 16.737 -0.273 1.0 93.92 ? 481 LYS A C 1 O49373 UNP 481 K +ATOM 3868 C CB . LYS A 1 481 ? -11.735 19.248 -0.616 1.0 93.92 ? 481 LYS A CB 1 O49373 UNP 481 K +ATOM 3869 O O . LYS A 1 481 ? -10.982 16.637 0.427 1.0 93.92 ? 481 LYS A O 1 O49373 UNP 481 K +ATOM 3870 C CG . LYS A 1 481 ? -10.958 19.066 -1.924 1.0 93.92 ? 481 LYS A CG 1 O49373 UNP 481 K +ATOM 3871 C CD . LYS A 1 481 ? -10.068 20.282 -2.158 1.0 93.92 ? 481 LYS A CD 1 O49373 UNP 481 K +ATOM 3872 C CE . LYS A 1 481 ? -9.332 20.120 -3.485 1.0 93.92 ? 481 LYS A CE 1 O49373 UNP 481 K +ATOM 3873 N NZ . LYS A 1 481 ? -8.621 21.372 -3.820 1.0 93.92 ? 481 LYS A NZ 1 O49373 UNP 481 K +ATOM 3874 N N . ILE A 1 482 ? -12.453 15.739 -1.016 1.0 95.98 ? 482 ILE A N 1 O49373 UNP 482 I +ATOM 3875 C CA . ILE A 1 482 ? -11.858 14.400 -1.018 1.0 95.98 ? 482 ILE A CA 1 O49373 UNP 482 I +ATOM 3876 C C . ILE A 1 482 ? -10.776 14.304 -2.096 1.0 95.98 ? 482 ILE A C 1 O49373 UNP 482 I +ATOM 3877 C CB . ILE A 1 482 ? -12.947 13.318 -1.142 1.0 95.98 ? 482 ILE A CB 1 O49373 UNP 482 I +ATOM 3878 O O . ILE A 1 482 ? -11.055 14.198 -3.289 1.0 95.98 ? 482 ILE A O 1 O49373 UNP 482 I +ATOM 3879 C CG1 . ILE A 1 482 ? -14.079 13.509 -0.104 1.0 95.98 ? 482 ILE A CG1 1 O49373 UNP 482 I +ATOM 3880 C CG2 . ILE A 1 482 ? -12.271 11.947 -0.996 1.0 95.98 ? 482 ILE A CG2 1 O49373 UNP 482 I +ATOM 3881 C CD1 . ILE A 1 482 ? -13.653 13.458 1.368 1.0 95.98 ? 482 ILE A CD1 1 O49373 UNP 482 I +ATOM 3882 N N . VAL A 1 483 ? -9.515 14.398 -1.671 1.0 95.49 ? 483 VAL A N 1 O49373 UNP 483 V +ATOM 3883 C CA . VAL A 1 483 ? -8.338 14.292 -2.545 1.0 95.49 ? 483 VAL A CA 1 O49373 UNP 483 V +ATOM 3884 C C . VAL A 1 483 ? -7.214 13.513 -1.858 1.0 95.49 ? 483 VAL A C 1 O49373 UNP 483 V +ATOM 3885 C CB . VAL A 1 483 ? -7.806 15.663 -3.015 1.0 95.49 ? 483 VAL A CB 1 O49373 UNP 483 V +ATOM 3886 O O . VAL A 1 483 ? -7.049 13.643 -0.640 1.0 95.49 ? 483 VAL A O 1 O49373 UNP 483 V +ATOM 3887 C CG1 . VAL A 1 483 ? -8.776 16.350 -3.983 1.0 95.49 ? 483 VAL A CG1 1 O49373 UNP 483 V +ATOM 3888 C CG2 . VAL A 1 483 ? -7.469 16.629 -1.869 1.0 95.49 ? 483 VAL A CG2 1 O49373 UNP 483 V +ATOM 3889 N N . PRO A 1 484 ? -6.402 12.751 -2.613 1.0 95.46 ? 484 PRO A N 1 O49373 UNP 484 P +ATOM 3890 C CA . PRO A 1 484 ? -5.226 12.094 -2.060 1.0 95.46 ? 484 PRO A CA 1 O49373 UNP 484 P +ATOM 3891 C C . PRO A 1 484 ? -4.212 13.092 -1.488 1.0 95.46 ? 484 PRO A C 1 O49373 UNP 484 P +ATOM 3892 C CB . PRO A 1 484 ? -4.623 11.275 -3.203 1.0 95.46 ? 484 PRO A CB 1 O49373 UNP 484 P +ATOM 3893 O O . PRO A 1 484 ? -3.955 14.151 -2.072 1.0 95.46 ? 484 PRO A O 1 O49373 UNP 484 P +ATOM 3894 C CG . PRO A 1 484 ? -5.789 11.069 -4.167 1.0 95.46 ? 484 PRO A CG 1 O49373 UNP 484 P +ATOM 3895 C CD . PRO A 1 484 ? -6.588 12.359 -4.005 1.0 95.46 ? 484 PRO A CD 1 O49373 UNP 484 P +ATOM 3896 N N . ALA A 1 485 ? -3.614 12.737 -0.356 1.0 93.81 ? 485 ALA A N 1 O49373 UNP 485 A +ATOM 3897 C CA . ALA A 1 485 ? -2.408 13.362 0.157 1.0 93.81 ? 485 ALA A CA 1 O49373 UNP 485 A +ATOM 3898 C C . ALA A 1 485 ? -1.221 13.032 -0.758 1.0 93.81 ? 485 ALA A C 1 O49373 UNP 485 A +ATOM 3899 C CB . ALA A 1 485 ? -2.158 12.863 1.584 1.0 93.81 ? 485 ALA A CB 1 O49373 UNP 485 A +ATOM 3900 O O . ALA A 1 485 ? -1.197 11.994 -1.417 1.0 93.81 ? 485 ALA A O 1 O49373 UNP 485 A +ATOM 3901 N N . LEU A 1 486 ? -0.219 13.912 -0.795 1.0 92.00 ? 486 LEU A N 1 O49373 UNP 486 L +ATOM 3902 C CA . LEU A 1 486 ? 1.043 13.602 -1.461 1.0 92.00 ? 486 LEU A CA 1 O49373 UNP 486 L +ATOM 3903 C C . LEU A 1 486 ? 1.888 12.735 -0.530 1.0 92.00 ? 486 LEU A C 1 O49373 UNP 486 L +ATOM 3904 C CB . LEU A 1 486 ? 1.783 14.895 -1.850 1.0 92.00 ? 486 LEU A CB 1 O49373 UNP 486 L +ATOM 3905 O O . LEU A 1 486 ? 2.497 13.245 0.404 1.0 92.00 ? 486 LEU A O 1 O49373 UNP 486 L +ATOM 3906 C CG . LEU A 1 486 ? 1.108 15.739 -2.939 1.0 92.00 ? 486 LEU A CG 1 O49373 UNP 486 L +ATOM 3907 C CD1 . LEU A 1 486 ? 1.979 16.969 -3.208 1.0 92.00 ? 486 LEU A CD1 1 O49373 UNP 486 L +ATOM 3908 C CD2 . LEU A 1 486 ? 0.927 14.981 -4.256 1.0 92.00 ? 486 LEU A CD2 1 O49373 UNP 486 L +ATOM 3909 N N . GLY A 1 487 ? 1.955 11.440 -0.813 1.0 93.00 ? 487 GLY A N 1 O49373 UNP 487 G +ATOM 3910 C CA . GLY A 1 487 ? 2.819 10.523 -0.083 1.0 93.00 ? 487 GLY A CA 1 O49373 UNP 487 G +ATOM 3911 C C . GLY A 1 487 ? 3.091 9.222 -0.827 1.0 93.00 ? 487 GLY A C 1 O49373 UNP 487 G +ATOM 3912 O O . GLY A 1 487 ? 2.536 8.940 -1.894 1.0 93.00 ? 487 GLY A O 1 O49373 UNP 487 G +ATOM 3913 N N . PHE A 1 488 ? 3.976 8.410 -0.253 1.0 93.66 ? 488 PHE A N 1 O49373 UNP 488 F +ATOM 3914 C CA . PHE A 1 488 ? 4.129 7.015 -0.663 1.0 93.66 ? 488 PHE A CA 1 O49373 UNP 488 F +ATOM 3915 C C . PHE A 1 488 ? 2.830 6.230 -0.416 1.0 93.66 ? 488 PHE A C 1 O49373 UNP 488 F +ATOM 3916 C CB . PHE A 1 488 ? 5.316 6.407 0.091 1.0 93.66 ? 488 PHE A CB 1 O49373 UNP 488 F +ATOM 3917 O O . PHE A 1 488 ? 2.374 5.496 -1.301 1.0 93.66 ? 488 PHE A O 1 O49373 UNP 488 F +ATOM 3918 C CG . PHE A 1 488 ? 5.546 4.948 -0.239 1.0 93.66 ? 488 PHE A CG 1 O49373 UNP 488 F +ATOM 3919 C CD1 . PHE A 1 488 ? 5.258 3.951 0.711 1.0 93.66 ? 488 PHE A CD1 1 O49373 UNP 488 F +ATOM 3920 C CD2 . PHE A 1 488 ? 6.012 4.583 -1.516 1.0 93.66 ? 488 PHE A CD2 1 O49373 UNP 488 F +ATOM 3921 C CE1 . PHE A 1 488 ? 5.450 2.596 0.391 1.0 93.66 ? 488 PHE A CE1 1 O49373 UNP 488 F +ATOM 3922 C CE2 . PHE A 1 488 ? 6.200 3.228 -1.839 1.0 93.66 ? 488 PHE A CE2 1 O49373 UNP 488 F +ATOM 3923 C CZ . PHE A 1 488 ? 5.927 2.235 -0.881 1.0 93.66 ? 488 PHE A CZ 1 O49373 UNP 488 F +ATOM 3924 N N . ILE A 1 489 ? 2.206 6.465 0.743 1.0 95.55 ? 489 ILE A N 1 O49373 UNP 489 I +ATOM 3925 C CA . ILE A 1 489 ? 0.865 5.991 1.078 1.0 95.55 ? 489 ILE A CA 1 O49373 UNP 489 I +ATOM 3926 C C . ILE A 1 489 ? -0.176 6.977 0.544 1.0 95.55 ? 489 ILE A C 1 O49373 UNP 489 I +ATOM 3927 C CB . ILE A 1 489 ? 0.714 5.757 2.596 1.0 95.55 ? 489 ILE A CB 1 O49373 UNP 489 I +ATOM 3928 O O . ILE A 1 489 ? -0.057 8.185 0.735 1.0 95.55 ? 489 ILE A O 1 O49373 UNP 489 I +ATOM 3929 C CG1 . ILE A 1 489 ? 1.794 4.800 3.157 1.0 95.55 ? 489 ILE A CG1 1 O49373 UNP 489 I +ATOM 3930 C CG2 . ILE A 1 489 ? -0.699 5.241 2.924 1.0 95.55 ? 489 ILE A CG2 1 O49373 UNP 489 I +ATOM 3931 C CD1 . ILE A 1 489 ? 1.856 3.409 2.505 1.0 95.55 ? 489 ILE A CD1 1 O49373 UNP 489 I +ATOM 3932 N N . LEU A 1 490 ? -1.197 6.458 -0.133 1.0 95.90 ? 490 LEU A N 1 O49373 UNP 490 L +ATOM 3933 C CA . LEU A 1 490 ? -2.260 7.235 -0.763 1.0 95.90 ? 490 LEU A CA 1 O49373 UNP 490 L +ATOM 3934 C C . LEU A 1 490 ? -3.370 7.594 0.242 1.0 95.90 ? 490 LEU A C 1 O49373 UNP 490 L +ATOM 3935 C CB . LEU A 1 490 ? -2.776 6.443 -1.982 1.0 95.90 ? 490 LEU A CB 1 O49373 UNP 490 L +ATOM 3936 O O . LEU A 1 490 ? -4.532 7.303 -0.011 1.0 95.90 ? 490 LEU A O 1 O49373 UNP 490 L +ATOM 3937 C CG . LEU A 1 490 ? -3.604 7.297 -2.962 1.0 95.90 ? 490 LEU A CG 1 O49373 UNP 490 L +ATOM 3938 C CD1 . LEU A 1 490 ? -2.702 8.132 -3.874 1.0 95.90 ? 490 LEU A CD1 1 O49373 UNP 490 L +ATOM 3939 C CD2 . LEU A 1 490 ? -4.469 6.393 -3.834 1.0 95.90 ? 490 LEU A CD2 1 O49373 UNP 490 L +ATOM 3940 N N . SER A 1 491 ? -3.045 8.179 1.395 1.0 95.63 ? 491 SER A N 1 O49373 UNP 491 S +ATOM 3941 C CA . SER A 1 491 ? -4.054 8.612 2.376 1.0 95.63 ? 491 SER A CA 1 O49373 UNP 491 S +ATOM 3942 C C . SER A 1 491 ? -4.877 9.806 1.863 1.0 95.63 ? 491 SER A C 1 O49373 UNP 491 S +ATOM 3943 C CB . SER A 1 491 ? -3.386 8.917 3.722 1.0 95.63 ? 491 SER A CB 1 O49373 UNP 491 S +ATOM 3944 O O . SER A 1 491 ? -4.551 10.420 0.844 1.0 95.63 ? 491 SER A O 1 O49373 UNP 491 S +ATOM 3945 O OG . SER A 1 491 ? -2.434 9.954 3.585 1.0 95.63 ? 491 SER A OG 1 O49373 UNP 491 S +ATOM 3946 N N . MET A 1 492 ? -5.971 10.154 2.538 1.0 96.06 ? 492 MET A N 1 O49373 UNP 492 M +ATOM 3947 C CA . MET A 1 492 ? -6.754 11.356 2.243 1.0 96.06 ? 492 MET A CA 1 O49373 UNP 492 M +ATOM 3948 C C . MET A 1 492 ? -6.100 12.581 2.876 1.0 96.06 ? 492 MET A C 1 O49373 UNP 492 M +ATOM 3949 C CB . MET A 1 492 ? -8.198 11.230 2.743 1.0 96.06 ? 492 MET A CB 1 O49373 UNP 492 M +ATOM 3950 O O . MET A 1 492 ? -5.802 12.595 4.071 1.0 96.06 ? 492 MET A O 1 O49373 UNP 492 M +ATOM 3951 C CG . MET A 1 492 ? -8.916 10.017 2.157 1.0 96.06 ? 492 MET A CG 1 O49373 UNP 492 M +ATOM 3952 S SD . MET A 1 492 ? -10.614 9.896 2.745 1.0 96.06 ? 492 MET A SD 1 O49373 UNP 492 M +ATOM 3953 C CE . MET A 1 492 ? -11.166 8.482 1.776 1.0 96.06 ? 492 MET A CE 1 O49373 UNP 492 M +ATOM 3954 N N . LYS A 1 493 ? -5.938 13.650 2.089 1.0 94.38 ? 493 LYS A N 1 O49373 UNP 493 K +ATOM 3955 C CA . LYS A 1 493 ? -5.281 14.894 2.524 1.0 94.38 ? 493 LYS A CA 1 O49373 UNP 493 K +ATOM 3956 C C . LYS A 1 493 ? -5.973 15.578 3.709 1.0 94.38 ? 493 LYS A C 1 O49373 UNP 493 K +ATOM 3957 C CB . LYS A 1 493 ? -5.215 15.840 1.317 1.0 94.38 ? 493 LYS A CB 1 O49373 UNP 493 K +ATOM 3958 O O . LYS A 1 493 ? -5.321 16.284 4.470 1.0 94.38 ? 493 LYS A O 1 O49373 UNP 493 K +ATOM 3959 C CG . LYS A 1 493 ? -4.410 17.101 1.640 1.0 94.38 ? 493 LYS A CG 1 O49373 UNP 493 K +ATOM 3960 C CD . LYS A 1 493 ? -4.268 18.013 0.426 1.0 94.38 ? 493 LYS A CD 1 O49373 UNP 493 K +ATOM 3961 C CE . LYS A 1 493 ? -3.539 19.265 0.914 1.0 94.38 ? 493 LYS A CE 1 O49373 UNP 493 K +ATOM 3962 N NZ . LYS A 1 493 ? -3.323 20.231 -0.182 1.0 94.38 ? 493 LYS A NZ 1 O49373 UNP 493 K +ATOM 3963 N N . HIS A 1 494 ? -7.288 15.423 3.813 1.0 95.10 ? 494 HIS A N 1 O49373 UNP 494 H +ATOM 3964 C CA . HIS A 1 494 ? -8.135 16.140 4.767 1.0 95.10 ? 494 HIS A CA 1 O49373 UNP 494 H +ATOM 3965 C C . HIS A 1 494 ? -8.922 15.184 5.682 1.0 95.10 ? 494 HIS A C 1 O49373 UNP 494 H +ATOM 3966 C CB . HIS A 1 494 ? -9.036 17.114 3.983 1.0 95.10 ? 494 HIS A CB 1 O49373 UNP 494 H +ATOM 3967 O O . HIS A 1 494 ? -9.953 15.584 6.222 1.0 95.10 ? 494 HIS A O 1 O49373 UNP 494 H +ATOM 3968 C CG . HIS A 1 494 ? -8.268 18.122 3.157 1.0 95.10 ? 494 HIS A CG 1 O49373 UNP 494 H +ATOM 3969 C CD2 . HIS A 1 494 ? -8.309 18.297 1.799 1.0 95.10 ? 494 HIS A CD2 1 O49373 UNP 494 H +ATOM 3970 N ND1 . HIS A 1 494 ? -7.383 19.047 3.651 1.0 95.10 ? 494 HIS A ND1 1 O49373 UNP 494 H +ATOM 3971 C CE1 . HIS A 1 494 ? -6.921 19.775 2.625 1.0 95.10 ? 494 HIS A CE1 1 O49373 UNP 494 H +ATOM 3972 N NE2 . HIS A 1 494 ? -7.436 19.347 1.457 1.0 95.10 ? 494 HIS A NE2 1 O49373 UNP 494 H +ATOM 3973 N N . GLY A 1 495 ? -8.467 13.930 5.809 1.0 95.30 ? 495 GLY A N 1 O49373 UNP 495 G +ATOM 3974 C CA . GLY A 1 495 ? -9.213 12.863 6.484 1.0 95.30 ? 495 GLY A CA 1 O49373 UNP 495 G +ATOM 3975 C C . GLY A 1 495 ? -10.539 12.536 5.790 1.0 95.30 ? 495 GLY A C 1 O49373 UNP 495 G +ATOM 3976 O O . GLY A 1 495 ? -10.774 12.955 4.653 1.0 95.30 ? 495 GLY A O 1 O49373 UNP 495 G +ATOM 3977 N N . LEU A 1 496 ? -11.421 11.825 6.489 1.0 97.49 ? 496 LEU A N 1 O49373 UNP 496 L +ATOM 3978 C CA . LEU A 1 496 ? -12.793 11.535 6.066 1.0 97.49 ? 496 LEU A CA 1 O49373 UNP 496 L +ATOM 3979 C C . LEU A 1 496 ? -13.747 11.933 7.192 1.0 97.49 ? 496 LEU A C 1 O49373 UNP 496 L +ATOM 3980 C CB . LEU A 1 496 ? -12.919 10.047 5.694 1.0 97.49 ? 496 LEU A CB 1 O49373 UNP 496 L +ATOM 3981 O O . LEU A 1 496 ? -13.983 11.154 8.112 1.0 97.49 ? 496 LEU A O 1 O49373 UNP 496 L +ATOM 3982 C CG . LEU A 1 496 ? -14.298 9.666 5.120 1.0 97.49 ? 496 LEU A CG 1 O49373 UNP 496 L +ATOM 3983 C CD1 . LEU A 1 496 ? -14.635 10.430 3.836 1.0 97.49 ? 496 LEU A CD1 1 O49373 UNP 496 L +ATOM 3984 C CD2 . LEU A 1 496 ? -14.323 8.172 4.803 1.0 97.49 ? 496 LEU A CD2 1 O49373 UNP 496 L +ATOM 3985 N N . GLN A 1 497 ? -14.264 13.158 7.130 1.0 97.61 ? 497 GLN A N 1 O49373 UNP 497 Q +ATOM 3986 C CA . GLN A 1 497 ? -15.154 13.689 8.154 1.0 97.61 ? 497 GLN A CA 1 O49373 UNP 497 Q +ATOM 3987 C C . GLN A 1 497 ? -16.551 13.123 7.938 1.0 97.61 ? 497 GLN A C 1 O49373 UNP 497 Q +ATOM 3988 C CB . GLN A 1 497 ? -15.170 15.226 8.121 1.0 97.61 ? 497 GLN A CB 1 O49373 UNP 497 Q +ATOM 3989 O O . GLN A 1 497 ? -17.147 13.303 6.873 1.0 97.61 ? 497 GLN A O 1 O49373 UNP 497 Q +ATOM 3990 C CG . GLN A 1 497 ? -13.792 15.852 8.386 1.0 97.61 ? 497 GLN A CG 1 O49373 UNP 497 Q +ATOM 3991 C CD . GLN A 1 497 ? -13.209 15.500 9.751 1.0 97.61 ? 497 GLN A CD 1 O49373 UNP 497 Q +ATOM 3992 N NE2 . GLN A 1 497 ? -11.902 15.498 9.882 1.0 97.61 ? 497 GLN A NE2 1 O49373 UNP 497 Q +ATOM 3993 O OE1 . GLN A 1 497 ? -13.903 15.234 10.715 1.0 97.61 ? 497 GLN A OE1 1 O49373 UNP 497 Q +ATOM 3994 N N . ILE A 1 498 ? -17.074 12.445 8.952 1.0 97.30 ? 498 ILE A N 1 O49373 UNP 498 I +ATOM 3995 C CA . ILE A 1 498 ? -18.389 11.816 8.908 1.0 97.30 ? 498 ILE A CA 1 O49373 UNP 498 I +ATOM 3996 C C . ILE A 1 498 ? -19.239 12.233 10.100 1.0 97.30 ? 498 ILE A C 1 O49373 UNP 498 I +ATOM 3997 C CB . ILE A 1 498 ? -18.283 10.278 8.812 1.0 97.30 ? 498 ILE A CB 1 O49373 UNP 498 I +ATOM 3998 O O . ILE A 1 498 ? -18.716 12.599 11.149 1.0 97.30 ? 498 ILE A O 1 O49373 UNP 498 I +ATOM 3999 C CG1 . ILE A 1 498 ? -17.671 9.630 10.075 1.0 97.30 ? 498 ILE A CG1 1 O49373 UNP 498 I +ATOM 4000 C CG2 . ILE A 1 498 ? -17.496 9.863 7.555 1.0 97.30 ? 498 ILE A CG2 1 O49373 UNP 498 I +ATOM 4001 C CD1 . ILE A 1 498 ? -18.058 8.159 10.247 1.0 97.30 ? 498 ILE A CD1 1 O49373 UNP 498 I +ATOM 4002 N N . THR A 1 499 ? -20.551 12.098 9.960 1.0 97.04 ? 499 THR A N 1 O49373 UNP 499 T +ATOM 4003 C CA . THR A 1 499 ? -21.437 11.838 11.094 1.0 97.04 ? 499 THR A CA 1 O49373 UNP 499 T +ATOM 4004 C C . THR A 1 499 ? -21.820 10.364 11.091 1.0 97.04 ? 499 THR A C 1 O49373 UNP 499 T +ATOM 4005 C CB . THR A 1 499 ? -22.667 12.749 11.107 1.0 97.04 ? 499 THR A CB 1 O49373 UNP 499 T +ATOM 4006 O O . THR A 1 499 ? -21.966 9.739 10.034 1.0 97.04 ? 499 THR A O 1 O49373 UNP 499 T +ATOM 4007 C CG2 . THR A 1 499 ? -22.269 14.218 11.239 1.0 97.04 ? 499 THR A CG2 1 O49373 UNP 499 T +ATOM 4008 O OG1 . THR A 1 499 ? -23.425 12.648 9.923 1.0 97.04 ? 499 THR A OG1 1 O49373 UNP 499 T +ATOM 4009 N N . VAL A 1 500 ? -21.943 9.796 12.286 1.0 96.15 ? 500 VAL A N 1 O49373 UNP 500 V +ATOM 4010 C CA . VAL A 1 500 ? -22.325 8.401 12.497 1.0 96.15 ? 500 VAL A CA 1 O49373 UNP 500 V +ATOM 4011 C C . VAL A 1 500 ? -23.618 8.367 13.298 1.0 96.15 ? 500 VAL A C 1 O49373 UNP 500 V +ATOM 4012 C CB . VAL A 1 500 ? -21.167 7.606 13.135 1.0 96.15 ? 500 VAL A CB 1 O49373 UNP 500 V +ATOM 4013 O O . VAL A 1 500 ? -23.803 9.155 14.215 1.0 96.15 ? 500 VAL A O 1 O49373 UNP 500 V +ATOM 4014 C CG1 . VAL A 1 500 ? -20.748 8.103 14.522 1.0 96.15 ? 500 VAL A CG1 1 O49373 UNP 500 V +ATOM 4015 C CG2 . VAL A 1 500 ? -21.505 6.117 13.211 1.0 96.15 ? 500 VAL A CG2 1 O49373 UNP 500 V +ATOM 4016 N N . THR A 1 501 ? -24.533 7.474 12.939 1.0 96.07 ? 501 THR A N 1 O49373 UNP 501 T +ATOM 4017 C CA . THR A 1 501 ? -25.766 7.226 13.699 1.0 96.07 ? 501 THR A CA 1 O49373 UNP 501 T +ATOM 4018 C C . THR A 1 501 ? -25.967 5.725 13.839 1.0 96.07 ? 501 THR A C 1 O49373 UNP 501 T +ATOM 4019 C CB . THR A 1 501 ? -26.995 7.894 13.057 1.0 96.07 ? 501 THR A CB 1 O49373 UNP 501 T +ATOM 4020 O O . THR A 1 501 ? -25.630 4.976 12.921 1.0 96.07 ? 501 THR A O 1 O49373 UNP 501 T +ATOM 4021 C CG2 . THR A 1 501 ? -26.951 9.416 13.178 1.0 96.07 ? 501 THR A CG2 1 O49373 UNP 501 T +ATOM 4022 O OG1 . THR A 1 501 ? -27.089 7.616 11.680 1.0 96.07 ? 501 THR A OG1 1 O49373 UNP 501 T +ATOM 4023 N N . LYS A 1 502 ? -26.482 5.262 14.984 1.0 94.09 ? 502 LYS A N 1 O49373 UNP 502 K +ATOM 4024 C CA . LYS A 1 502 ? -26.840 3.848 15.154 1.0 94.09 ? 502 LYS A CA 1 O49373 UNP 502 K +ATOM 4025 C C . LYS A 1 502 ? -28.035 3.521 14.264 1.0 94.09 ? 502 LYS A C 1 O49373 UNP 502 K +ATOM 4026 C CB . LYS A 1 502 ? -27.167 3.520 16.619 1.0 94.09 ? 502 LYS A CB 1 O49373 UNP 502 K +ATOM 4027 O O . LYS A 1 502 ? -29.015 4.264 14.242 1.0 94.09 ? 502 LYS A O 1 O49373 UNP 502 K +ATOM 4028 C CG . LYS A 1 502 ? -25.912 3.376 17.491 1.0 94.09 ? 502 LYS A CG 1 O49373 UNP 502 K +ATOM 4029 C CD . LYS A 1 502 ? -26.302 3.147 18.960 1.0 94.09 ? 502 LYS A CD 1 O49373 UNP 502 K +ATOM 4030 C CE . LYS A 1 502 ? -25.057 2.889 19.814 1.0 94.09 ? 502 LYS A CE 1 O49373 UNP 502 K +ATOM 4031 N NZ . LYS A 1 502 ? -25.302 3.043 21.275 1.0 94.09 ? 502 LYS A NZ 1 O49373 UNP 502 K +ATOM 4032 N N . ARG A 1 503 ? -27.979 2.382 13.581 1.0 88.20 ? 503 ARG A N 1 O49373 UNP 503 R +ATOM 4033 C CA . ARG A 1 503 ? -29.151 1.838 12.896 1.0 88.20 ? 503 ARG A CA 1 O49373 UNP 503 R +ATOM 4034 C C . ARG A 1 503 ? -30.155 1.348 13.924 1.0 88.20 ? 503 ARG A C 1 O49373 UNP 503 R +ATOM 4035 C CB . ARG A 1 503 ? -28.738 0.717 11.940 1.0 88.20 ? 503 ARG A CB 1 O49373 UNP 503 R +ATOM 4036 O O . ARG A 1 503 ? -29.798 0.615 14.844 1.0 88.20 ? 503 ARG A O 1 O49373 UNP 503 R +ATOM 4037 C CG . ARG A 1 503 ? -28.156 1.352 10.683 1.0 88.20 ? 503 ARG A CG 1 O49373 UNP 503 R +ATOM 4038 C CD . ARG A 1 503 ? -27.715 0.288 9.696 1.0 88.20 ? 503 ARG A CD 1 O49373 UNP 503 R +ATOM 4039 N NE . ARG A 1 503 ? -27.454 0.933 8.414 1.0 88.20 ? 503 ARG A NE 1 O49373 UNP 503 R +ATOM 4040 N NH1 . ARG A 1 503 ? -27.539 -0.907 7.088 1.0 88.20 ? 503 ARG A NH1 1 O49373 UNP 503 R +ATOM 4041 N NH2 . ARG A 1 503 ? -27.162 1.130 6.214 1.0 88.20 ? 503 ARG A NH2 1 O49373 UNP 503 R +ATOM 4042 C CZ . ARG A 1 503 ? -27.386 0.373 7.241 1.0 88.20 ? 503 ARG A CZ 1 O49373 UNP 503 R +ATOM 4043 N N . CYS A 1 504 ? -31.418 1.727 13.750 1.0 73.10 ? 504 CYS A N 1 O49373 UNP 504 C +ATOM 4044 C CA . CYS A 1 504 ? -32.501 1.045 14.445 1.0 73.10 ? 504 CYS A CA 1 O49373 UNP 504 C +ATOM 4045 C C . CYS A 1 504 ? -32.551 -0.385 13.900 1.0 73.10 ? 504 CYS A C 1 O49373 UNP 504 C +ATOM 4046 C CB . CYS A 1 504 ? -33.819 1.799 14.226 1.0 73.10 ? 504 CYS A CB 1 O49373 UNP 504 C +ATOM 4047 O O . CYS A 1 504 ? -32.681 -0.569 12.689 1.0 73.10 ? 504 CYS A O 1 O49373 UNP 504 C +ATOM 4048 S SG . CYS A 1 504 ? -33.750 3.416 15.055 1.0 73.10 ? 504 CYS A SG 1 O49373 UNP 504 C +ATOM 4049 N N . SER A 1 505 ? -32.408 -1.390 14.765 1.0 58.06 ? 505 SER A N 1 O49373 UNP 505 S +ATOM 4050 C CA . SER A 1 505 ? -32.749 -2.762 14.392 1.0 58.06 ? 505 SER A CA 1 O49373 UNP 505 S +ATOM 4051 C C . SER A 1 505 ? -34.211 -2.762 13.952 1.0 58.06 ? 505 SER A C 1 O49373 UNP 505 S +ATOM 4052 C CB . SER A 1 505 ? -32.535 -3.711 15.578 1.0 58.06 ? 505 SER A CB 1 O49373 UNP 505 S +ATOM 4053 O O . SER A 1 505 ? -35.071 -2.401 14.759 1.0 58.06 ? 505 SER A O 1 O49373 UNP 505 S +ATOM 4054 O OG . SER A 1 505 ? -33.175 -3.209 16.737 1.0 58.06 ? 505 SER A OG 1 O49373 UNP 505 S +ATOM 4055 N N . ALA A 1 506 ? -34.457 -3.071 12.678 1.0 42.49 ? 506 ALA A N 1 O49373 UNP 506 A +ATOM 4056 C CA . ALA A 1 506 ? -35.805 -3.285 12.161 1.0 42.49 ? 506 ALA A CA 1 O49373 UNP 506 A +ATOM 4057 C C . ALA A 1 506 ? -36.485 -4.455 12.880 1.0 42.49 ? 506 ALA A C 1 O49373 UNP 506 A +ATOM 4058 C CB . ALA A 1 506 ? -35.741 -3.494 10.642 1.0 42.49 ? 506 ALA A CB 1 O49373 UNP 506 A +ATOM 4059 O O . ALA A 1 506 ? -35.758 -5.410 13.253 1.0 42.49 ? 506 ALA A O 1 O49373 UNP 506 A +ATOM 4060 O OXT . ALA A 1 506 ? -37.722 -4.347 13.012 1.0 42.49 ? 506 ALA A OXT 1 O49373 UNP 506 A +# diff --git a/src/test/resources/cif/AF-P41068-F1-model_v6.cif b/src/test/resources/cif/AF-P41068-F1-model_v6.cif new file mode 100644 index 000000000..14eb8e9fb --- /dev/null +++ b/src/test/resources/cif/AF-P41068-F1-model_v6.cif @@ -0,0 +1,2586 @@ +data_AF-P41068-F1 +# +_entry.id AF-P41068-F1 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +"Jumper, John" 1 +"Evans, Richard" 2 +"Pritzel, Alexander" 3 +"Green, Tim" 4 +"Figurnov, Michael" 5 +"Ronneberger, Olaf" 6 +"Tunyasuvunakool, Kathryn" 7 +"Bates, Russ" 8 +"Zidek, Augustin" 9 +"Potapenko, Anna" 10 +"Bridgland, Alex" 11 +"Meyer, Clemens" 12 +"Kohl, Simon A. A." 13 +"Ballard, Andrew J." 14 +"Cowie, Andrew" 15 +"Romera-Paredes, Bernardino" 16 +"Nikolov, Stanislav" 17 +"Jain, Rishub" 18 +"Adler, Jonas" 19 +"Back, Trevor" 20 +"Petersen, Stig" 21 +"Reiman, David" 22 +"Clancy, Ellen" 23 +"Zielinski, Michal" 24 +"Steinegger, Martin" 25 +"Pacholska, Michalina" 26 +"Berghammer, Tamas" 27 +"Silver, David" 28 +"Vinyals, Oriol" 29 +"Senior, Andrew W." 30 +"Kavukcuoglu, Koray" 31 +"Kohli, Pushmeet" 32 +"Hassabis, Demis" 33 +# +_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic +_audit_conform.dict_name mmcif_ma.dic +_audit_conform.dict_version 1.3.9 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.type +"C3 H7 N O2" 89.093 ALA y ALANINE ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" ? "L-PEPTIDE LINKING" +"C3 H7 N O2 S" 121.158 CYS y CYSTEINE ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE ? "PEPTIDE LINKING" +"C6 H10 N3 O2" 156.162 HIS y HISTIDINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE ? "L-PEPTIDE LINKING" +"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE ? "L-PEPTIDE LINKING" +# +_citation.book_publisher ? +_citation.country UK +_citation.id primary +_citation.journal_full Nature +_citation.journal_id_ASTM NATUAS +_citation.journal_id_CSD 0006 +_citation.journal_id_ISSN 0028-0836 +_citation.journal_volume 596 +_citation.page_first 583 +_citation.page_last 589 +_citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 +_citation.pdbx_database_id_PubMed 34265844 +_citation.title "Highly accurate protein structure prediction with AlphaFold" +_citation.year 2021 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary "Jumper, John" 1 +primary "Evans, Richard" 2 +primary "Pritzel, Alexander" 3 +primary "Green, Tim" 4 +primary "Figurnov, Michael" 5 +primary "Ronneberger, Olaf" 6 +primary "Tunyasuvunakool, Kathryn" 7 +primary "Bates, Russ" 8 +primary "Zidek, Augustin" 9 +primary "Potapenko, Anna" 10 +primary "Bridgland, Alex" 11 +primary "Meyer, Clemens" 12 +primary "Kohl, Simon A. A." 13 +primary "Ballard, Andrew J." 14 +primary "Cowie, Andrew" 15 +primary "Romera-Paredes, Bernardino" 16 +primary "Nikolov, Stanislav" 17 +primary "Jain, Rishub" 18 +primary "Adler, Jonas" 19 +primary "Back, Trevor" 20 +primary "Petersen, Stig" 21 +primary "Reiman, David" 22 +primary "Clancy, Ellen" 23 +primary "Zielinski, Michal" 24 +primary "Steinegger, Martin" 25 +primary "Pacholska, Michalina" 26 +primary "Berghammer, Tamas" 27 +primary "Silver, David" 28 +primary "Vinyals, Oriol" 29 +primary "Senior, Andrew W." 30 +primary "Kavukcuoglu, Koray" 31 +primary "Kohli, Pushmeet" 32 +primary "Hassabis, Demis" 33 +# +_database_2.database_code AF-P41068-F1 +_database_2.database_id AlphaFoldDB +# +_entity.details ? +_entity.formula_weight ? +_entity.id 1 +_entity.pdbx_description "Protein TraP" +_entity.pdbx_ec ? +_entity.pdbx_fragment ? +_entity.pdbx_mutation ? +_entity.pdbx_number_of_molecules 1 +_entity.src_method man +_entity.type polymer +# +_entity_poly.entity_id 1 +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MANNMSSRQACHAARYVVARVLRGLFWCLKYTVILPLATMALMALFVLWKDNTTPGKLLVKEINFVRQTAPAGQFPVSEC +WFSSSDSSGRSEIQGICHYRAADAADYVRETDRSLMQLVTALWATLALMYVSLAAITGKYPVRPGKMKCIRVVTADEHLK +EVYTEDASLPGKIRKCPVYLPDDRTNRNNGDKNEHA +; +_entity_poly.pdbx_seq_one_letter_code_can +;MANNMSSRQACHAARYVVARVLRGLFWCLKYTVILPLATMALMALFVLWKDNTTPGKLLVKEINFVRQTAPAGQFPVSEC +WFSSSDSSGRSEIQGICHYRAADAADYVRETDRSLMQLVTALWATLALMYVSLAAITGKYPVRPGKMKCIRVVTADEHLK +EVYTEDASLPGKIRKCPVYLPDDRTNRNNGDKNEHA +; +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n MET 1 +1 n ALA 2 +1 n ASN 3 +1 n ASN 4 +1 n MET 5 +1 n SER 6 +1 n SER 7 +1 n ARG 8 +1 n GLN 9 +1 n ALA 10 +1 n CYS 11 +1 n HIS 12 +1 n ALA 13 +1 n ALA 14 +1 n ARG 15 +1 n TYR 16 +1 n VAL 17 +1 n VAL 18 +1 n ALA 19 +1 n ARG 20 +1 n VAL 21 +1 n LEU 22 +1 n ARG 23 +1 n GLY 24 +1 n LEU 25 +1 n PHE 26 +1 n TRP 27 +1 n CYS 28 +1 n LEU 29 +1 n LYS 30 +1 n TYR 31 +1 n THR 32 +1 n VAL 33 +1 n ILE 34 +1 n LEU 35 +1 n PRO 36 +1 n LEU 37 +1 n ALA 38 +1 n THR 39 +1 n MET 40 +1 n ALA 41 +1 n LEU 42 +1 n MET 43 +1 n ALA 44 +1 n LEU 45 +1 n PHE 46 +1 n VAL 47 +1 n LEU 48 +1 n TRP 49 +1 n LYS 50 +1 n ASP 51 +1 n ASN 52 +1 n THR 53 +1 n THR 54 +1 n PRO 55 +1 n GLY 56 +1 n LYS 57 +1 n LEU 58 +1 n LEU 59 +1 n VAL 60 +1 n LYS 61 +1 n GLU 62 +1 n ILE 63 +1 n ASN 64 +1 n PHE 65 +1 n VAL 66 +1 n ARG 67 +1 n GLN 68 +1 n THR 69 +1 n ALA 70 +1 n PRO 71 +1 n ALA 72 +1 n GLY 73 +1 n GLN 74 +1 n PHE 75 +1 n PRO 76 +1 n VAL 77 +1 n SER 78 +1 n GLU 79 +1 n CYS 80 +1 n TRP 81 +1 n PHE 82 +1 n SER 83 +1 n SER 84 +1 n SER 85 +1 n ASP 86 +1 n SER 87 +1 n SER 88 +1 n GLY 89 +1 n ARG 90 +1 n SER 91 +1 n GLU 92 +1 n ILE 93 +1 n GLN 94 +1 n GLY 95 +1 n ILE 96 +1 n CYS 97 +1 n HIS 98 +1 n TYR 99 +1 n ARG 100 +1 n ALA 101 +1 n ALA 102 +1 n ASP 103 +1 n ALA 104 +1 n ALA 105 +1 n ASP 106 +1 n TYR 107 +1 n VAL 108 +1 n ARG 109 +1 n GLU 110 +1 n THR 111 +1 n ASP 112 +1 n ARG 113 +1 n SER 114 +1 n LEU 115 +1 n MET 116 +1 n GLN 117 +1 n LEU 118 +1 n VAL 119 +1 n THR 120 +1 n ALA 121 +1 n LEU 122 +1 n TRP 123 +1 n ALA 124 +1 n THR 125 +1 n LEU 126 +1 n ALA 127 +1 n LEU 128 +1 n MET 129 +1 n TYR 130 +1 n VAL 131 +1 n SER 132 +1 n LEU 133 +1 n ALA 134 +1 n ALA 135 +1 n ILE 136 +1 n THR 137 +1 n GLY 138 +1 n LYS 139 +1 n TYR 140 +1 n PRO 141 +1 n VAL 142 +1 n ARG 143 +1 n PRO 144 +1 n GLY 145 +1 n LYS 146 +1 n MET 147 +1 n LYS 148 +1 n CYS 149 +1 n ILE 150 +1 n ARG 151 +1 n VAL 152 +1 n VAL 153 +1 n THR 154 +1 n ALA 155 +1 n ASP 156 +1 n GLU 157 +1 n HIS 158 +1 n LEU 159 +1 n LYS 160 +1 n GLU 161 +1 n VAL 162 +1 n TYR 163 +1 n THR 164 +1 n GLU 165 +1 n ASP 166 +1 n ALA 167 +1 n SER 168 +1 n LEU 169 +1 n PRO 170 +1 n GLY 171 +1 n LYS 172 +1 n ILE 173 +1 n ARG 174 +1 n LYS 175 +1 n CYS 176 +1 n PRO 177 +1 n VAL 178 +1 n TYR 179 +1 n LEU 180 +1 n PRO 181 +1 n ASP 182 +1 n ASP 183 +1 n ARG 184 +1 n THR 185 +1 n ASN 186 +1 n ARG 187 +1 n ASN 188 +1 n ASN 189 +1 n GLY 190 +1 n ASP 191 +1 n LYS 192 +1 n ASN 193 +1 n GLU 194 +1 n HIS 195 +1 n ALA 196 +# +loop_ +_ma_data.content_type +_ma_data.id +_ma_data.name +"model coordinates" 1 Model +"input structure" 2 "Input structure" +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold Monomer v2.0 model" +_ma_model_list.model_id 1 +_ma_model_list.model_name "Top ranked model" +_ma_model_list.model_type "Ab initio model" +_ma_model_list.ordinal_id 1 +# +loop_ +_ma_protocol_step.method_type +_ma_protocol_step.ordinal_id +_ma_protocol_step.protocol_id +_ma_protocol_step.step_id +"coevolution MSA" 1 1 1 +"template search" 2 1 2 +modeling 3 1 3 +# +loop_ +_ma_qa_metric.id +_ma_qa_metric.mode +_ma_qa_metric.name +_ma_qa_metric.software_group_id +_ma_qa_metric.type +1 global pLDDT 1 pLDDT +2 local pLDDT 1 pLDDT +# +_ma_qa_metric_global.metric_id 1 +_ma_qa_metric_global.metric_value 69.55 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +loop_ +_ma_qa_metric_local.label_asym_id +_ma_qa_metric_local.label_comp_id +_ma_qa_metric_local.label_seq_id +_ma_qa_metric_local.metric_id +_ma_qa_metric_local.metric_value +_ma_qa_metric_local.model_id +_ma_qa_metric_local.ordinal_id +A MET 1 2 53.00 1 1 +A ALA 2 2 59.53 1 2 +A ASN 3 2 63.56 1 3 +A ASN 4 2 69.06 1 4 +A MET 5 2 62.47 1 5 +A SER 6 2 67.88 1 6 +A SER 7 2 66.88 1 7 +A ARG 8 2 69.31 1 8 +A GLN 9 2 70.38 1 9 +A ALA 10 2 71.94 1 10 +A CYS 11 2 73.75 1 11 +A HIS 12 2 74.12 1 12 +A ALA 13 2 78.38 1 13 +A ALA 14 2 81.06 1 14 +A ARG 15 2 80.50 1 15 +A TYR 16 2 76.88 1 16 +A VAL 17 2 81.25 1 17 +A VAL 18 2 83.88 1 18 +A ALA 19 2 82.88 1 19 +A ARG 20 2 78.31 1 20 +A VAL 21 2 84.06 1 21 +A LEU 22 2 87.00 1 22 +A ARG 23 2 85.06 1 23 +A GLY 24 2 83.56 1 24 +A LEU 25 2 86.56 1 25 +A PHE 26 2 88.12 1 26 +A TRP 27 2 86.25 1 27 +A CYS 28 2 84.50 1 28 +A LEU 29 2 89.56 1 29 +A LYS 30 2 88.31 1 30 +A TYR 31 2 87.56 1 31 +A THR 32 2 88.81 1 32 +A VAL 33 2 90.31 1 33 +A ILE 34 2 91.75 1 34 +A LEU 35 2 91.38 1 35 +A PRO 36 2 91.75 1 36 +A LEU 37 2 92.44 1 37 +A ALA 38 2 93.62 1 38 +A THR 39 2 93.88 1 39 +A MET 40 2 93.56 1 40 +A ALA 41 2 92.19 1 41 +A LEU 42 2 92.94 1 42 +A MET 43 2 91.06 1 43 +A ALA 44 2 87.31 1 44 +A LEU 45 2 88.00 1 45 +A PHE 46 2 88.25 1 46 +A VAL 47 2 84.19 1 47 +A LEU 48 2 82.44 1 48 +A TRP 49 2 82.12 1 49 +A LYS 50 2 80.44 1 50 +A ASP 51 2 77.75 1 51 +A ASN 52 2 74.44 1 52 +A THR 53 2 77.62 1 53 +A THR 54 2 84.31 1 54 +A PRO 55 2 82.69 1 55 +A GLY 56 2 87.12 1 56 +A LYS 57 2 88.94 1 57 +A LEU 58 2 88.75 1 58 +A LEU 59 2 90.00 1 59 +A VAL 60 2 93.12 1 60 +A LYS 61 2 90.56 1 61 +A GLU 62 2 89.31 1 62 +A ILE 63 2 91.25 1 63 +A ASN 64 2 92.81 1 64 +A PHE 65 2 90.19 1 65 +A VAL 66 2 90.31 1 66 +A ARG 67 2 89.31 1 67 +A GLN 68 2 89.56 1 68 +A THR 69 2 88.44 1 69 +A ALA 70 2 88.44 1 70 +A PRO 71 2 88.69 1 71 +A ALA 72 2 87.00 1 72 +A GLY 73 2 87.44 1 73 +A GLN 74 2 91.31 1 74 +A PHE 75 2 91.75 1 75 +A PRO 76 2 89.50 1 76 +A VAL 77 2 89.75 1 77 +A SER 78 2 84.44 1 78 +A GLU 79 2 82.19 1 79 +A CYS 80 2 80.81 1 80 +A TRP 81 2 66.75 1 81 +A PHE 82 2 60.84 1 82 +A SER 83 2 50.09 1 83 +A SER 84 2 50.28 1 84 +A SER 85 2 44.31 1 85 +A ASP 86 2 42.16 1 86 +A SER 87 2 44.78 1 87 +A SER 88 2 44.50 1 88 +A GLY 89 2 39.78 1 89 +A ARG 90 2 43.88 1 90 +A SER 91 2 41.97 1 91 +A GLU 92 2 40.69 1 92 +A ILE 93 2 49.69 1 93 +A GLN 94 2 48.69 1 94 +A GLY 95 2 51.06 1 95 +A ILE 96 2 66.38 1 96 +A CYS 97 2 76.62 1 97 +A HIS 98 2 82.38 1 98 +A TYR 99 2 86.00 1 99 +A ARG 100 2 87.75 1 100 +A ALA 101 2 89.56 1 101 +A ALA 102 2 90.94 1 102 +A ASP 103 2 92.81 1 103 +A ALA 104 2 92.44 1 104 +A ALA 105 2 93.94 1 105 +A ASP 106 2 92.88 1 106 +A TYR 107 2 90.69 1 107 +A VAL 108 2 93.38 1 108 +A ARG 109 2 93.62 1 109 +A GLU 110 2 91.31 1 110 +A THR 111 2 90.00 1 111 +A ASP 112 2 93.56 1 112 +A ARG 113 2 92.94 1 113 +A SER 114 2 90.81 1 114 +A LEU 115 2 91.19 1 115 +A MET 116 2 93.25 1 116 +A GLN 117 2 93.94 1 117 +A LEU 118 2 91.81 1 118 +A VAL 119 2 92.44 1 119 +A THR 120 2 92.44 1 120 +A ALA 121 2 93.75 1 121 +A LEU 122 2 92.62 1 122 +A TRP 123 2 93.44 1 123 +A ALA 124 2 93.56 1 124 +A THR 125 2 93.62 1 125 +A LEU 126 2 92.88 1 126 +A ALA 127 2 92.00 1 127 +A LEU 128 2 91.62 1 128 +A MET 129 2 92.31 1 129 +A TYR 130 2 91.06 1 130 +A VAL 131 2 87.81 1 131 +A SER 132 2 86.31 1 132 +A LEU 133 2 85.06 1 133 +A ALA 134 2 83.50 1 134 +A ALA 135 2 79.50 1 135 +A ILE 136 2 79.56 1 136 +A THR 137 2 78.88 1 137 +A GLY 138 2 68.38 1 138 +A LYS 139 2 65.19 1 139 +A TYR 140 2 62.41 1 140 +A PRO 141 2 57.84 1 141 +A VAL 142 2 57.88 1 142 +A ARG 143 2 48.22 1 143 +A PRO 144 2 47.91 1 144 +A GLY 145 2 45.25 1 145 +A LYS 146 2 38.62 1 146 +A MET 147 2 42.09 1 147 +A LYS 148 2 36.16 1 148 +A CYS 149 2 40.06 1 149 +A ILE 150 2 39.41 1 150 +A ARG 151 2 34.41 1 151 +A VAL 152 2 41.19 1 152 +A VAL 153 2 36.22 1 153 +A THR 154 2 42.25 1 154 +A ALA 155 2 45.28 1 155 +A ASP 156 2 40.69 1 156 +A GLU 157 2 45.34 1 157 +A HIS 158 2 39.06 1 158 +A LEU 159 2 41.50 1 159 +A LYS 160 2 37.97 1 160 +A GLU 161 2 36.09 1 161 +A VAL 162 2 34.12 1 162 +A TYR 163 2 35.97 1 163 +A THR 164 2 34.34 1 164 +A GLU 165 2 31.59 1 165 +A ASP 166 2 31.03 1 166 +A ALA 167 2 42.34 1 167 +A SER 168 2 39.69 1 168 +A LEU 169 2 32.50 1 169 +A PRO 170 2 36.75 1 170 +A GLY 171 2 37.38 1 171 +A LYS 172 2 39.62 1 172 +A ILE 173 2 38.53 1 173 +A ARG 174 2 42.12 1 174 +A LYS 175 2 38.28 1 175 +A CYS 176 2 41.72 1 176 +A PRO 177 2 38.47 1 177 +A VAL 178 2 40.44 1 178 +A TYR 179 2 31.41 1 179 +A LEU 180 2 33.19 1 180 +A PRO 181 2 36.12 1 181 +A ASP 182 2 38.88 1 182 +A ASP 183 2 43.84 1 183 +A ARG 184 2 45.72 1 184 +A THR 185 2 40.38 1 185 +A ASN 186 2 38.94 1 186 +A ARG 187 2 41.34 1 187 +A ASN 188 2 40.06 1 188 +A ASN 189 2 38.25 1 189 +A GLY 190 2 40.22 1 190 +A ASP 191 2 41.81 1 191 +A LYS 192 2 43.88 1 192 +A ASN 193 2 37.00 1 193 +A GLU 194 2 43.47 1 194 +A HIS 195 2 48.69 1 195 +A ALA 196 2 43.62 1 196 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +_ma_target_entity.data_id 1 +_ma_target_entity.entity_id 1 +_ma_target_entity.origin "reference database" +# +_ma_target_entity_instance.asym_id A +_ma_target_entity_instance.details . +_ma_target_entity_instance.entity_id 1 +# +_ma_target_ref_db_details.db_accession P41068 +_ma_target_ref_db_details.db_code TRAP_ECOLI +_ma_target_ref_db_details.db_name UNP +_ma_target_ref_db_details.gene_name traP +_ma_target_ref_db_details.ncbi_taxonomy_id 83333 +_ma_target_ref_db_details.organism_scientific "Escherichia coli (strain K12)" +_ma_target_ref_db_details.seq_db_align_begin 1 +_ma_target_ref_db_details.seq_db_align_end 196 +_ma_target_ref_db_details.seq_db_isoform ? +_ma_target_ref_db_details.seq_db_sequence_checksum 0197355516942160 +_ma_target_ref_db_details.seq_db_sequence_version_date 1995-02-01 +_ma_target_ref_db_details.target_entity_id 1 +# +loop_ +_ma_template_details.ordinal_id +_ma_template_details.target_asym_id +_ma_template_details.template_auth_asym_id +_ma_template_details.template_data_id +_ma_template_details.template_entity_type +_ma_template_details.template_id +_ma_template_details.template_model_num +_ma_template_details.template_origin +_ma_template_details.template_trans_matrix_id +1 A A 2 polymer 1 1 "reference database" 1 +2 A D 2 polymer 2 1 "reference database" 1 +3 A A 2 polymer 3 1 "reference database" 1 +4 A A 2 polymer 4 1 "reference database" 1 +# +loop_ +_ma_template_ref_db_details.db_accession_code +_ma_template_ref_db_details.db_name +_ma_template_ref_db_details.template_id +6B87 PDB 1 +6B87 PDB 2 +6D6T PDB 3 +4COF PDB 4 +# +_ma_template_trans_matrix.id 1 +_ma_template_trans_matrix.rot_matrix[1][1] 1.0 +_ma_template_trans_matrix.rot_matrix[1][2] 0.0 +_ma_template_trans_matrix.rot_matrix[1][3] 0.0 +_ma_template_trans_matrix.rot_matrix[2][1] 0.0 +_ma_template_trans_matrix.rot_matrix[2][2] 1.0 +_ma_template_trans_matrix.rot_matrix[2][3] 0.0 +_ma_template_trans_matrix.rot_matrix[3][1] 0.0 +_ma_template_trans_matrix.rot_matrix[3][2] 0.0 +_ma_template_trans_matrix.rot_matrix[3][3] 1.0 +_ma_template_trans_matrix.tr_vector[1] 0.0 +_ma_template_trans_matrix.tr_vector[2] 0.0 +_ma_template_trans_matrix.tr_vector[3] 0.0 +# +loop_ +_pdbx_audit_revision_details.data_content_type +_pdbx_audit_revision_details.description +_pdbx_audit_revision_details.ordinal +_pdbx_audit_revision_details.provider +_pdbx_audit_revision_details.revision_ordinal +_pdbx_audit_revision_details.type +"Structure model" "Format fixes, new metadata, initial SwissProt release" 2 repository 2 Remediation +"Structure model" "Format fixes, new metadata, initial UniProt release" 3 repository 3 Remediation +"Structure model" "Improved prediction accuracy, small format fixes" 4 repository 4 Remediation +"Structure model" "Update to UniProt 2024_06, small format fixes" 5 repository 5 Release +"Structure model" "Update to UniProt 2025_03" 6 repository 6 Release +# +loop_ +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.revision_date +"Structure model" 2 0 2 2021-12-09 +"Structure model" 3 0 3 2022-06-01 +"Structure model" 4 0 4 2022-09-30 +"Structure model" 5 0 5 2025-03-31 +"Structure model" 6 0 6 2025-08-01 +# +loop_ +_pdbx_data_usage.details +_pdbx_data_usage.id +_pdbx_data_usage.name +_pdbx_data_usage.type +_pdbx_data_usage.url +"Data in this file is available under a CC-BY-4.0 license." 1 CC-BY-4.0 license https://creativecommons.org/licenses/by/4.0/ +;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION +PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS +USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED +OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE +THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE +A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES +NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +; +2 ? disclaimer ? +# +_pdbx_database_status.entry_id AF-P41068-F1 +_pdbx_database_status.recvd_initial_deposition_date 2025-08-01 +_pdbx_database_status.status_code REL +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.hetero +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.seq_id +A 1 1 n MET . MET 1 A 1 +A 2 1 n ALA . ALA 2 A 2 +A 3 1 n ASN . ASN 3 A 3 +A 4 1 n ASN . ASN 4 A 4 +A 5 1 n MET . MET 5 A 5 +A 6 1 n SER . SER 6 A 6 +A 7 1 n SER . SER 7 A 7 +A 8 1 n ARG . ARG 8 A 8 +A 9 1 n GLN . GLN 9 A 9 +A 10 1 n ALA . ALA 10 A 10 +A 11 1 n CYS . CYS 11 A 11 +A 12 1 n HIS . HIS 12 A 12 +A 13 1 n ALA . ALA 13 A 13 +A 14 1 n ALA . ALA 14 A 14 +A 15 1 n ARG . ARG 15 A 15 +A 16 1 n TYR . TYR 16 A 16 +A 17 1 n VAL . VAL 17 A 17 +A 18 1 n VAL . VAL 18 A 18 +A 19 1 n ALA . ALA 19 A 19 +A 20 1 n ARG . ARG 20 A 20 +A 21 1 n VAL . VAL 21 A 21 +A 22 1 n LEU . LEU 22 A 22 +A 23 1 n ARG . ARG 23 A 23 +A 24 1 n GLY . GLY 24 A 24 +A 25 1 n LEU . LEU 25 A 25 +A 26 1 n PHE . PHE 26 A 26 +A 27 1 n TRP . TRP 27 A 27 +A 28 1 n CYS . CYS 28 A 28 +A 29 1 n LEU . LEU 29 A 29 +A 30 1 n LYS . LYS 30 A 30 +A 31 1 n TYR . TYR 31 A 31 +A 32 1 n THR . THR 32 A 32 +A 33 1 n VAL . VAL 33 A 33 +A 34 1 n ILE . ILE 34 A 34 +A 35 1 n LEU . LEU 35 A 35 +A 36 1 n PRO . PRO 36 A 36 +A 37 1 n LEU . LEU 37 A 37 +A 38 1 n ALA . ALA 38 A 38 +A 39 1 n THR . THR 39 A 39 +A 40 1 n MET . MET 40 A 40 +A 41 1 n ALA . ALA 41 A 41 +A 42 1 n LEU . LEU 42 A 42 +A 43 1 n MET . MET 43 A 43 +A 44 1 n ALA . ALA 44 A 44 +A 45 1 n LEU . LEU 45 A 45 +A 46 1 n PHE . PHE 46 A 46 +A 47 1 n VAL . VAL 47 A 47 +A 48 1 n LEU . LEU 48 A 48 +A 49 1 n TRP . TRP 49 A 49 +A 50 1 n LYS . LYS 50 A 50 +A 51 1 n ASP . ASP 51 A 51 +A 52 1 n ASN . ASN 52 A 52 +A 53 1 n THR . THR 53 A 53 +A 54 1 n THR . THR 54 A 54 +A 55 1 n PRO . PRO 55 A 55 +A 56 1 n GLY . GLY 56 A 56 +A 57 1 n LYS . LYS 57 A 57 +A 58 1 n LEU . LEU 58 A 58 +A 59 1 n LEU . LEU 59 A 59 +A 60 1 n VAL . VAL 60 A 60 +A 61 1 n LYS . LYS 61 A 61 +A 62 1 n GLU . GLU 62 A 62 +A 63 1 n ILE . ILE 63 A 63 +A 64 1 n ASN . ASN 64 A 64 +A 65 1 n PHE . PHE 65 A 65 +A 66 1 n VAL . VAL 66 A 66 +A 67 1 n ARG . ARG 67 A 67 +A 68 1 n GLN . GLN 68 A 68 +A 69 1 n THR . THR 69 A 69 +A 70 1 n ALA . ALA 70 A 70 +A 71 1 n PRO . PRO 71 A 71 +A 72 1 n ALA . ALA 72 A 72 +A 73 1 n GLY . GLY 73 A 73 +A 74 1 n GLN . GLN 74 A 74 +A 75 1 n PHE . PHE 75 A 75 +A 76 1 n PRO . PRO 76 A 76 +A 77 1 n VAL . VAL 77 A 77 +A 78 1 n SER . SER 78 A 78 +A 79 1 n GLU . GLU 79 A 79 +A 80 1 n CYS . CYS 80 A 80 +A 81 1 n TRP . TRP 81 A 81 +A 82 1 n PHE . PHE 82 A 82 +A 83 1 n SER . SER 83 A 83 +A 84 1 n SER . SER 84 A 84 +A 85 1 n SER . SER 85 A 85 +A 86 1 n ASP . ASP 86 A 86 +A 87 1 n SER . SER 87 A 87 +A 88 1 n SER . SER 88 A 88 +A 89 1 n GLY . GLY 89 A 89 +A 90 1 n ARG . ARG 90 A 90 +A 91 1 n SER . SER 91 A 91 +A 92 1 n GLU . GLU 92 A 92 +A 93 1 n ILE . ILE 93 A 93 +A 94 1 n GLN . GLN 94 A 94 +A 95 1 n GLY . GLY 95 A 95 +A 96 1 n ILE . ILE 96 A 96 +A 97 1 n CYS . CYS 97 A 97 +A 98 1 n HIS . HIS 98 A 98 +A 99 1 n TYR . TYR 99 A 99 +A 100 1 n ARG . ARG 100 A 100 +A 101 1 n ALA . ALA 101 A 101 +A 102 1 n ALA . ALA 102 A 102 +A 103 1 n ASP . ASP 103 A 103 +A 104 1 n ALA . ALA 104 A 104 +A 105 1 n ALA . ALA 105 A 105 +A 106 1 n ASP . ASP 106 A 106 +A 107 1 n TYR . TYR 107 A 107 +A 108 1 n VAL . VAL 108 A 108 +A 109 1 n ARG . ARG 109 A 109 +A 110 1 n GLU . GLU 110 A 110 +A 111 1 n THR . THR 111 A 111 +A 112 1 n ASP . ASP 112 A 112 +A 113 1 n ARG . ARG 113 A 113 +A 114 1 n SER . SER 114 A 114 +A 115 1 n LEU . LEU 115 A 115 +A 116 1 n MET . MET 116 A 116 +A 117 1 n GLN . GLN 117 A 117 +A 118 1 n LEU . LEU 118 A 118 +A 119 1 n VAL . VAL 119 A 119 +A 120 1 n THR . THR 120 A 120 +A 121 1 n ALA . ALA 121 A 121 +A 122 1 n LEU . LEU 122 A 122 +A 123 1 n TRP . TRP 123 A 123 +A 124 1 n ALA . ALA 124 A 124 +A 125 1 n THR . THR 125 A 125 +A 126 1 n LEU . LEU 126 A 126 +A 127 1 n ALA . ALA 127 A 127 +A 128 1 n LEU . LEU 128 A 128 +A 129 1 n MET . MET 129 A 129 +A 130 1 n TYR . TYR 130 A 130 +A 131 1 n VAL . VAL 131 A 131 +A 132 1 n SER . SER 132 A 132 +A 133 1 n LEU . LEU 133 A 133 +A 134 1 n ALA . ALA 134 A 134 +A 135 1 n ALA . ALA 135 A 135 +A 136 1 n ILE . ILE 136 A 136 +A 137 1 n THR . THR 137 A 137 +A 138 1 n GLY . GLY 138 A 138 +A 139 1 n LYS . LYS 139 A 139 +A 140 1 n TYR . TYR 140 A 140 +A 141 1 n PRO . PRO 141 A 141 +A 142 1 n VAL . VAL 142 A 142 +A 143 1 n ARG . ARG 143 A 143 +A 144 1 n PRO . PRO 144 A 144 +A 145 1 n GLY . GLY 145 A 145 +A 146 1 n LYS . LYS 146 A 146 +A 147 1 n MET . MET 147 A 147 +A 148 1 n LYS . LYS 148 A 148 +A 149 1 n CYS . CYS 149 A 149 +A 150 1 n ILE . ILE 150 A 150 +A 151 1 n ARG . ARG 151 A 151 +A 152 1 n VAL . VAL 152 A 152 +A 153 1 n VAL . VAL 153 A 153 +A 154 1 n THR . THR 154 A 154 +A 155 1 n ALA . ALA 155 A 155 +A 156 1 n ASP . ASP 156 A 156 +A 157 1 n GLU . GLU 157 A 157 +A 158 1 n HIS . HIS 158 A 158 +A 159 1 n LEU . LEU 159 A 159 +A 160 1 n LYS . LYS 160 A 160 +A 161 1 n GLU . GLU 161 A 161 +A 162 1 n VAL . VAL 162 A 162 +A 163 1 n TYR . TYR 163 A 163 +A 164 1 n THR . THR 164 A 164 +A 165 1 n GLU . GLU 165 A 165 +A 166 1 n ASP . ASP 166 A 166 +A 167 1 n ALA . ALA 167 A 167 +A 168 1 n SER . SER 168 A 168 +A 169 1 n LEU . LEU 169 A 169 +A 170 1 n PRO . PRO 170 A 170 +A 171 1 n GLY . GLY 171 A 171 +A 172 1 n LYS . LYS 172 A 172 +A 173 1 n ILE . ILE 173 A 173 +A 174 1 n ARG . ARG 174 A 174 +A 175 1 n LYS . LYS 175 A 175 +A 176 1 n CYS . CYS 176 A 176 +A 177 1 n PRO . PRO 177 A 177 +A 178 1 n VAL . VAL 178 A 178 +A 179 1 n TYR . TYR 179 A 179 +A 180 1 n LEU . LEU 180 A 180 +A 181 1 n PRO . PRO 181 A 181 +A 182 1 n ASP . ASP 182 A 182 +A 183 1 n ASP . ASP 183 A 183 +A 184 1 n ARG . ARG 184 A 184 +A 185 1 n THR . THR 185 A 185 +A 186 1 n ASN . ASN 186 A 186 +A 187 1 n ARG . ARG 187 A 187 +A 188 1 n ASN . ASN 188 A 188 +A 189 1 n ASN . ASN 189 A 189 +A 190 1 n GLY . GLY 190 A 190 +A 191 1 n ASP . ASP 191 A 191 +A 192 1 n LYS . LYS 192 A 192 +A 193 1 n ASN . ASN 193 A 193 +A 194 1 n GLU . GLU 194 A 194 +A 195 1 n HIS . HIS 195 A 195 +A 196 1 n ALA . ALA 196 A 196 +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.pdbx_ordinal +_software.type +_software.version +other ? "Structure prediction" AlphaFold 1 package v2.0 +other ? "Secondary structure" dssp 2 library 4 +# +_struct_asym.entity_id 1 +_struct_asym.id A +# +loop_ +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.conf_type_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.pdbx_end_PDB_ins_code +A ALA 2 A ALA 2 HELX_RH_AL_P A CYS 28 A CYS 28 HELX_RH_AL_P1 ? ? +A LEU 29 A LEU 29 HELX_RH_PI_P A ILE 34 A ILE 34 HELX_RH_PI_P1 ? ? +A LEU 35 A LEU 35 HELX_RH_AL_P A TRP 49 A TRP 49 HELX_RH_AL_P2 ? ? +A LYS 50 A LYS 50 TURN_TY1_P A ASP 51 A ASP 51 TURN_TY1_P1 ? ? +A PRO 55 A PRO 55 HELX_RH_AL_P A THR 69 A THR 69 HELX_RH_AL_P3 ? ? +A ALA 70 A ALA 70 BEND A ALA 70 A ALA 70 BEND1 ? ? +A ALA 72 A ALA 72 TURN_TY1_P A GLY 73 A GLY 73 TURN_TY1_P2 ? ? +A PHE 75 A PHE 75 STRN A CYS 80 A CYS 80 STRN1 ? ? +A ARG 90 A ARG 90 BEND A SER 91 A SER 91 BEND2 ? ? +A GLY 95 A GLY 95 BEND A GLY 95 A GLY 95 BEND3 ? ? +A CYS 97 A CYS 97 STRN A ALA 102 A ALA 102 STRN2 ? ? +A ALA 104 A ALA 104 HELX_RH_AL_P A ILE 136 A ILE 136 HELX_RH_AL_P4 ? ? +A THR 137 A THR 137 TURN_TY1_P A GLY 138 A GLY 138 TURN_TY1_P3 ? ? +A TYR 140 A TYR 140 BEND A TYR 140 A TYR 140 BEND4 ? ? +A GLU 157 A GLU 157 HELX_RH_3T_P A LYS 160 A LYS 160 HELX_RH_3T_P1 ? ? +A GLU 161 A GLU 161 BEND A GLU 161 A GLU 161 BEND5 ? ? +A VAL 162 A VAL 162 HELX_RH_3T_P A THR 164 A THR 164 HELX_RH_3T_P2 ? ? +A GLU 165 A GLU 165 BEND A GLU 165 A GLU 165 BEND6 ? ? +A ALA 167 A ALA 167 TURN_TY1_P A SER 168 A SER 168 TURN_TY1_P4 ? ? +A ASP 183 A ASP 183 HELX_RH_3T_P A ASN 186 A ASN 186 HELX_RH_3T_P3 ? ? +A ARG 187 A ARG 187 BEND A ASN 189 A ASN 189 BEND7 ? ? +# +loop_ +_struct_conf_type.criteria +_struct_conf_type.id +DSSP HELX_RH_AL_P +DSSP HELX_RH_PI_P +DSSP TURN_TY1_P +DSSP BEND +DSSP STRN +DSSP HELX_RH_3T_P +# +_struct_ref.db_code TRAP_ECOLI +_struct_ref.db_name UNP +_struct_ref.entity_id 1 +_struct_ref.id 1 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_align_end 196 +_struct_ref.pdbx_db_accession P41068 +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code +;MANNMSSRQACHAARYVVARVLRGLFWCLKYTVILPLATMALMALFVLWKDNTTPGKLLVKEINFVRQTAPAGQFPVSEC +WFSSSDSSGRSEIQGICHYRAADAADYVRETDRSLMQLVTALWATLALMYVSLAAITGKYPVRPGKMKCIRVVTADEHLK +EVYTEDASLPGKIRKCPVYLPDDRTNRNNGDKNEHA +; +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.db_align_end 196 +_struct_ref_seq.pdbx_PDB_id_code AF-P41068-F1 +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 196 +_struct_ref_seq.pdbx_db_accession P41068 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.ref_id 1 +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.seq_align_end 196 +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +_atom_site.pdbx_sifts_xref_db_acc +_atom_site.pdbx_sifts_xref_db_name +_atom_site.pdbx_sifts_xref_db_num +_atom_site.pdbx_sifts_xref_db_res +ATOM 1 N N . MET A 1 1 ? 42.463 29.002 -26.415 1.00 53.00 ? 1 MET A N 1 P41068 UNP 1 M +ATOM 2 C CA . MET A 1 1 ? 41.370 28.338 -27.175 1.00 53.00 ? 1 MET A CA 1 P41068 UNP 1 M +ATOM 3 C C . MET A 1 1 ? 41.108 26.892 -26.731 1.00 53.00 ? 1 MET A C 1 P41068 UNP 1 M +ATOM 4 C CB . MET A 1 1 ? 41.547 28.439 -28.702 1.00 53.00 ? 1 MET A CB 1 P41068 UNP 1 M +ATOM 5 O O . MET A 1 1 ? 39.951 26.490 -26.745 1.00 53.00 ? 1 MET A O 1 P41068 UNP 1 M +ATOM 6 C CG . MET A 1 1 ? 40.931 29.735 -29.250 1.00 53.00 ? 1 MET A CG 1 P41068 UNP 1 M +ATOM 7 S SD . MET A 1 1 ? 41.043 29.877 -31.049 1.00 53.00 ? 1 MET A SD 1 P41068 UNP 1 M +ATOM 8 C CE . MET A 1 1 ? 40.274 31.500 -31.323 1.00 53.00 ? 1 MET A CE 1 P41068 UNP 1 M +ATOM 9 N N . ALA A 1 2 ? 42.111 26.114 -26.293 1.00 59.53 ? 2 ALA A N 1 P41068 UNP 2 A +ATOM 10 C CA . ALA A 1 2 ? 41.929 24.730 -25.812 1.00 59.53 ? 2 ALA A CA 1 P41068 UNP 2 A +ATOM 11 C C . ALA A 1 2 ? 41.035 24.596 -24.554 1.00 59.53 ? 2 ALA A C 1 P41068 UNP 2 A +ATOM 12 C CB . ALA A 1 2 ? 43.329 24.163 -25.542 1.00 59.53 ? 2 ALA A CB 1 P41068 UNP 2 A +ATOM 13 O O . ALA A 1 2 ? 40.255 23.654 -24.414 1.00 59.53 ? 2 ALA A O 1 P41068 UNP 2 A +ATOM 14 N N . ASN A 1 3 ? 41.093 25.590 -23.674 1.00 63.56 ? 3 ASN A N 1 P41068 UNP 3 N +ATOM 15 C CA . ASN A 1 3 ? 40.328 25.717 -22.436 1.00 63.56 ? 3 ASN A CA 1 P41068 UNP 3 N +ATOM 16 C C . ASN A 1 3 ? 38.799 25.679 -22.649 1.00 63.56 ? 3 ASN A C 1 P41068 UNP 3 N +ATOM 17 C CB . ASN A 1 3 ? 40.817 26.962 -21.642 1.00 63.56 ? 3 ASN A CB 1 P41068 UNP 3 N +ATOM 18 O O . ASN A 1 3 ? 38.098 25.009 -21.893 1.00 63.56 ? 3 ASN A O 1 P41068 UNP 3 N +ATOM 19 C CG . ASN A 1 3 ? 41.452 28.150 -22.387 1.00 63.56 ? 3 ASN A CG 1 P41068 UNP 3 N +ATOM 20 N ND2 . ASN A 1 3 ? 41.611 29.253 -21.698 1.00 63.56 ? 3 ASN A ND2 1 P41068 UNP 3 N +ATOM 21 O OD1 . ASN A 1 3 ? 41.839 28.126 -23.559 1.00 63.56 ? 3 ASN A OD1 1 P41068 UNP 3 N +ATOM 22 N N . ASN A 1 4 ? 38.283 26.295 -23.719 1.00 69.06 ? 4 ASN A N 1 P41068 UNP 4 N +ATOM 23 C CA . ASN A 1 4 ? 36.844 26.281 -24.023 1.00 69.06 ? 4 ASN A CA 1 P41068 UNP 4 N +ATOM 24 C C . ASN A 1 4 ? 36.357 24.926 -24.559 1.00 69.06 ? 4 ASN A C 1 P41068 UNP 4 N +ATOM 25 C CB . ASN A 1 4 ? 36.516 27.416 -25.013 1.00 69.06 ? 4 ASN A CB 1 P41068 UNP 4 N +ATOM 26 O O . ASN A 1 4 ? 35.196 24.570 -24.371 1.00 69.06 ? 4 ASN A O 1 P41068 UNP 4 N +ATOM 27 C CG . ASN A 1 4 ? 36.559 28.794 -24.375 1.00 69.06 ? 4 ASN A CG 1 P41068 UNP 4 N +ATOM 28 N ND2 . ASN A 1 4 ? 36.492 29.844 -25.158 1.00 69.06 ? 4 ASN A ND2 1 P41068 UNP 4 N +ATOM 29 O OD1 . ASN A 1 4 ? 36.655 28.946 -23.174 1.00 69.06 ? 4 ASN A OD1 1 P41068 UNP 4 N +ATOM 30 N N . MET A 1 5 ? 37.216 24.156 -25.235 1.00 62.47 ? 5 MET A N 1 P41068 UNP 5 M +ATOM 31 C CA . MET A 1 5 ? 36.850 22.816 -25.708 1.00 62.47 ? 5 MET A CA 1 P41068 UNP 5 M +ATOM 32 C C . MET A 1 5 ? 36.831 21.809 -24.558 1.00 62.47 ? 5 MET A C 1 P41068 UNP 5 M +ATOM 33 C CB . MET A 1 5 ? 37.789 22.351 -26.826 1.00 62.47 ? 5 MET A CB 1 P41068 UNP 5 M +ATOM 34 O O . MET A 1 5 ? 35.873 21.045 -24.444 1.00 62.47 ? 5 MET A O 1 P41068 UNP 5 M +ATOM 35 C CG . MET A 1 5 ? 37.534 23.128 -28.120 1.00 62.47 ? 5 MET A CG 1 P41068 UNP 5 M +ATOM 36 S SD . MET A 1 5 ? 38.386 22.450 -29.566 1.00 62.47 ? 5 MET A SD 1 P41068 UNP 5 M +ATOM 37 C CE . MET A 1 5 ? 40.092 22.962 -29.225 1.00 62.47 ? 5 MET A CE 1 P41068 UNP 5 M +ATOM 38 N N . SER A 1 6 ? 37.835 21.863 -23.676 1.00 67.88 ? 6 SER A N 1 P41068 UNP 6 S +ATOM 39 C CA . SER A 1 6 ? 37.902 21.012 -22.483 1.00 67.88 ? 6 SER A CA 1 P41068 UNP 6 S +ATOM 40 C C . SER A 1 6 ? 36.716 21.259 -21.542 1.00 67.88 ? 6 SER A C 1 P41068 UNP 6 S +ATOM 41 C CB . SER A 1 6 ? 39.235 21.239 -21.766 1.00 67.88 ? 6 SER A CB 1 P41068 UNP 6 S +ATOM 42 O O . SER A 1 6 ? 36.023 20.315 -21.160 1.00 67.88 ? 6 SER A O 1 P41068 UNP 6 S +ATOM 43 O OG . SER A 1 6 ? 39.313 20.392 -20.641 1.00 67.88 ? 6 SER A OG 1 P41068 UNP 6 S +ATOM 44 N N . SER A 1 7 ? 36.378 22.526 -21.260 1.00 66.88 ? 7 SER A N 1 P41068 UNP 7 S +ATOM 45 C CA . SER A 1 7 ? 35.224 22.865 -20.412 1.00 66.88 ? 7 SER A CA 1 P41068 UNP 7 S +ATOM 46 C C . SER A 1 7 ? 33.891 22.421 -21.022 1.00 66.88 ? 7 SER A C 1 P41068 UNP 7 S +ATOM 47 C CB . SER A 1 7 ? 35.203 24.367 -20.112 1.00 66.88 ? 7 SER A CB 1 P41068 UNP 7 S +ATOM 48 O O . SER A 1 7 ? 33.032 21.888 -20.316 1.00 66.88 ? 7 SER A O 1 P41068 UNP 7 S +ATOM 49 O OG . SER A 1 7 ? 34.935 25.118 -21.281 1.00 66.88 ? 7 SER A OG 1 P41068 UNP 7 S +ATOM 50 N N . ARG A 1 8 ? 33.722 22.552 -22.346 1.00 69.31 ? 8 ARG A N 1 P41068 UNP 8 R +ATOM 51 C CA . ARG A 1 8 ? 32.541 22.042 -23.061 1.00 69.31 ? 8 ARG A CA 1 P41068 UNP 8 R +ATOM 52 C C . ARG A 1 8 ? 32.452 20.521 -22.985 1.00 69.31 ? 8 ARG A C 1 P41068 UNP 8 R +ATOM 53 C CB . ARG A 1 8 ? 32.538 22.531 -24.517 1.00 69.31 ? 8 ARG A CB 1 P41068 UNP 8 R +ATOM 54 O O . ARG A 1 8 ? 31.379 20.003 -22.686 1.00 69.31 ? 8 ARG A O 1 P41068 UNP 8 R +ATOM 55 C CG . ARG A 1 8 ? 32.131 24.009 -24.614 1.00 69.31 ? 8 ARG A CG 1 P41068 UNP 8 R +ATOM 56 C CD . ARG A 1 8 ? 32.265 24.542 -26.051 1.00 69.31 ? 8 ARG A CD 1 P41068 UNP 8 R +ATOM 57 N NE . ARG A 1 8 ? 30.953 24.902 -26.628 1.00 69.31 ? 8 ARG A NE 1 P41068 UNP 8 R +ATOM 58 N NH1 . ARG A 1 8 ? 31.664 25.459 -28.742 1.00 69.31 ? 8 ARG A NH1 1 P41068 UNP 8 R +ATOM 59 N NH2 . ARG A 1 8 ? 29.517 25.710 -28.203 1.00 69.31 ? 8 ARG A NH2 1 P41068 UNP 8 R +ATOM 60 C CZ . ARG A 1 8 ? 30.719 25.350 -27.850 1.00 69.31 ? 8 ARG A CZ 1 P41068 UNP 8 R +ATOM 61 N N . GLN A 1 9 ? 33.550 19.797 -23.205 1.00 70.38 ? 9 GLN A N 1 P41068 UNP 9 Q +ATOM 62 C CA . GLN A 1 9 ? 33.575 18.333 -23.098 1.00 70.38 ? 9 GLN A CA 1 P41068 UNP 9 Q +ATOM 63 C C . GLN A 1 9 ? 33.275 17.857 -21.672 1.00 70.38 ? 9 GLN A C 1 P41068 UNP 9 Q +ATOM 64 C CB . GLN A 1 9 ? 34.931 17.792 -23.565 1.00 70.38 ? 9 GLN A CB 1 P41068 UNP 9 Q +ATOM 65 O O . GLN A 1 9 ? 32.446 16.959 -21.506 1.00 70.38 ? 9 GLN A O 1 P41068 UNP 9 Q +ATOM 66 C CG . GLN A 1 9 ? 35.084 17.832 -25.094 1.00 70.38 ? 9 GLN A CG 1 P41068 UNP 9 Q +ATOM 67 C CD . GLN A 1 9 ? 36.446 17.315 -25.548 1.00 70.38 ? 9 GLN A CD 1 P41068 UNP 9 Q +ATOM 68 N NE2 . GLN A 1 9 ? 36.624 17.030 -26.819 1.00 70.38 ? 9 GLN A NE2 1 P41068 UNP 9 Q +ATOM 69 O OE1 . GLN A 1 9 ? 37.372 17.143 -24.782 1.00 70.38 ? 9 GLN A OE1 1 P41068 UNP 9 Q +ATOM 70 N N . ALA A 1 10 ? 33.860 18.500 -20.657 1.00 71.94 ? 10 ALA A N 1 P41068 UNP 10 A +ATOM 71 C CA . ALA A 1 10 ? 33.580 18.223 -19.250 1.00 71.94 ? 10 ALA A CA 1 P41068 UNP 10 A +ATOM 72 C C . ALA A 1 10 ? 32.106 18.495 -18.901 1.00 71.94 ? 10 ALA A C 1 P41068 UNP 10 A +ATOM 73 C CB . ALA A 1 10 ? 34.534 19.060 -18.390 1.00 71.94 ? 10 ALA A CB 1 P41068 UNP 10 A +ATOM 74 O O . ALA A 1 10 ? 31.444 17.642 -18.309 1.00 71.94 ? 10 ALA A O 1 P41068 UNP 10 A +ATOM 75 N N . CYS A 1 11 ? 31.547 19.625 -19.352 1.00 73.75 ? 11 CYS A N 1 P41068 UNP 11 C +ATOM 76 C CA . CYS A 1 11 ? 30.132 19.956 -19.167 1.00 73.75 ? 11 CYS A CA 1 P41068 UNP 11 C +ATOM 77 C C . CYS A 1 11 ? 29.214 18.931 -19.850 1.00 73.75 ? 11 CYS A C 1 P41068 UNP 11 C +ATOM 78 C CB . CYS A 1 11 ? 29.881 21.369 -19.713 1.00 73.75 ? 11 CYS A CB 1 P41068 UNP 11 C +ATOM 79 O O . CYS A 1 11 ? 28.225 18.481 -19.268 1.00 73.75 ? 11 CYS A O 1 P41068 UNP 11 C +ATOM 80 S SG . CYS A 1 11 ? 28.177 21.889 -19.342 1.00 73.75 ? 11 CYS A SG 1 P41068 UNP 11 C +ATOM 81 N N . HIS A 1 12 ? 29.549 18.508 -21.071 1.00 74.12 ? 12 HIS A N 1 P41068 UNP 12 H +ATOM 82 C CA . HIS A 1 12 ? 28.801 17.466 -21.762 1.00 74.12 ? 12 HIS A CA 1 P41068 UNP 12 H +ATOM 83 C C . HIS A 1 12 ? 28.863 16.140 -21.004 1.00 74.12 ? 12 HIS A C 1 P41068 UNP 12 H +ATOM 84 C CB . HIS A 1 12 ? 29.295 17.314 -23.206 1.00 74.12 ? 12 HIS A CB 1 P41068 UNP 12 H +ATOM 85 O O . HIS A 1 12 ? 27.810 15.551 -20.764 1.00 74.12 ? 12 HIS A O 1 P41068 UNP 12 H +ATOM 86 C CG . HIS A 1 12 ? 28.826 18.424 -24.112 1.00 74.12 ? 12 HIS A CG 1 P41068 UNP 12 H +ATOM 87 C CD2 . HIS A 1 12 ? 29.607 19.239 -24.885 1.00 74.12 ? 12 HIS A CD2 1 P41068 UNP 12 H +ATOM 88 N ND1 . HIS A 1 12 ? 27.518 18.799 -24.328 1.00 74.12 ? 12 HIS A ND1 1 P41068 UNP 12 H +ATOM 89 C CE1 . HIS A 1 12 ? 27.516 19.825 -25.196 1.00 74.12 ? 12 HIS A CE1 1 P41068 UNP 12 H +ATOM 90 N NE2 . HIS A 1 12 ? 28.767 20.125 -25.563 1.00 74.12 ? 12 HIS A NE2 1 P41068 UNP 12 H +ATOM 91 N N . ALA A 1 13 ? 30.054 15.685 -20.607 1.00 78.38 ? 13 ALA A N 1 P41068 UNP 13 A +ATOM 92 C CA . ALA A 1 13 ? 30.238 14.454 -19.841 1.00 78.38 ? 13 ALA A CA 1 P41068 UNP 13 A +ATOM 93 C C . ALA A 1 13 ? 29.438 14.481 -18.529 1.00 78.38 ? 13 ALA A C 1 P41068 UNP 13 A +ATOM 94 C CB . ALA A 1 13 ? 31.737 14.245 -19.599 1.00 78.38 ? 13 ALA A CB 1 P41068 UNP 13 A +ATOM 95 O O . ALA A 1 13 ? 28.679 13.546 -18.267 1.00 78.38 ? 13 ALA A O 1 P41068 UNP 13 A +ATOM 96 N N . ALA A 1 14 ? 29.504 15.586 -17.780 1.00 81.06 ? 14 ALA A N 1 P41068 UNP 14 A +ATOM 97 C CA . ALA A 1 14 ? 28.722 15.787 -16.563 1.00 81.06 ? 14 ALA A CA 1 P41068 UNP 14 A +ATOM 98 C C . ALA A 1 14 ? 27.211 15.685 -16.831 1.00 81.06 ? 14 ALA A C 1 P41068 UNP 14 A +ATOM 99 C CB . ALA A 1 14 ? 29.107 17.139 -15.951 1.00 81.06 ? 14 ALA A CB 1 P41068 UNP 14 A +ATOM 100 O O . ALA A 1 14 ? 26.519 14.910 -16.172 1.00 81.06 ? 14 ALA A O 1 P41068 UNP 14 A +ATOM 101 N N . ARG A 1 15 ? 26.694 16.371 -17.862 1.00 80.50 ? 15 ARG A N 1 P41068 UNP 15 R +ATOM 102 C CA . ARG A 1 15 ? 25.273 16.280 -18.256 1.00 80.50 ? 15 ARG A CA 1 P41068 UNP 15 R +ATOM 103 C C . ARG A 1 15 ? 24.850 14.852 -18.617 1.00 80.50 ? 15 ARG A C 1 P41068 UNP 15 R +ATOM 104 C CB . ARG A 1 15 ? 24.975 17.229 -19.427 1.00 80.50 ? 15 ARG A CB 1 P41068 UNP 15 R +ATOM 105 O O . ARG A 1 15 ? 23.728 14.465 -18.302 1.00 80.50 ? 15 ARG A O 1 P41068 UNP 15 R +ATOM 106 C CG . ARG A 1 15 ? 24.943 18.710 -19.021 1.00 80.50 ? 15 ARG A CG 1 P41068 UNP 15 R +ATOM 107 C CD . ARG A 1 15 ? 24.690 19.578 -20.262 1.00 80.50 ? 15 ARG A CD 1 P41068 UNP 15 R +ATOM 108 N NE . ARG A 1 15 ? 24.786 21.016 -19.958 1.00 80.50 ? 15 ARG A NE 1 P41068 UNP 15 R +ATOM 109 N NH1 . ARG A 1 15 ? 23.971 21.839 -21.947 1.00 80.50 ? 15 ARG A NH1 1 P41068 UNP 15 R +ATOM 110 N NH2 . ARG A 1 15 ? 24.655 23.253 -20.370 1.00 80.50 ? 15 ARG A NH2 1 P41068 UNP 15 R +ATOM 111 C CZ . ARG A 1 15 ? 24.474 22.023 -20.756 1.00 80.50 ? 15 ARG A CZ 1 P41068 UNP 15 R +ATOM 112 N N . TYR A 1 16 ? 25.712 14.061 -19.264 1.00 76.88 ? 16 TYR A N 1 P41068 UNP 16 Y +ATOM 113 C CA . TYR A 1 16 ? 25.412 12.653 -19.564 1.00 76.88 ? 16 TYR A CA 1 P41068 UNP 16 Y +ATOM 114 C C . TYR A 1 16 ? 25.329 11.797 -18.300 1.00 76.88 ? 16 TYR A C 1 P41068 UNP 16 Y +ATOM 115 C CB . TYR A 1 16 ? 26.449 12.039 -20.515 1.00 76.88 ? 16 TYR A CB 1 P41068 UNP 16 Y +ATOM 116 O O . TYR A 1 16 ? 24.412 10.982 -18.192 1.00 76.88 ? 16 TYR A O 1 P41068 UNP 16 Y +ATOM 117 C CG . TYR A 1 16 ? 26.284 12.423 -21.970 1.00 76.88 ? 16 TYR A CG 1 P41068 UNP 16 Y +ATOM 118 C CD1 . TYR A 1 16 ? 25.242 11.869 -22.737 1.00 76.88 ? 16 TYR A CD1 1 P41068 UNP 16 Y +ATOM 119 C CD2 . TYR A 1 16 ? 27.213 13.285 -22.574 1.00 76.88 ? 16 TYR A CD2 1 P41068 UNP 16 Y +ATOM 120 C CE1 . TYR A 1 16 ? 25.117 12.211 -24.098 1.00 76.88 ? 16 TYR A CE1 1 P41068 UNP 16 Y +ATOM 121 C CE2 . TYR A 1 16 ? 27.056 13.692 -23.906 1.00 76.88 ? 16 TYR A CE2 1 P41068 UNP 16 Y +ATOM 122 O OH . TYR A 1 16 ? 25.858 13.546 -25.953 1.00 76.88 ? 16 TYR A OH 1 P41068 UNP 16 Y +ATOM 123 C CZ . TYR A 1 16 ? 26.010 13.147 -24.668 1.00 76.88 ? 16 TYR A CZ 1 P41068 UNP 16 Y +ATOM 124 N N . VAL A 1 17 ? 26.260 11.974 -17.359 1.00 81.25 ? 17 VAL A N 1 P41068 UNP 17 V +ATOM 125 C CA . VAL A 1 17 ? 26.250 11.244 -16.082 1.00 81.25 ? 17 VAL A CA 1 P41068 UNP 17 V +ATOM 126 C C . VAL A 1 17 ? 24.993 11.599 -15.289 1.00 81.25 ? 17 VAL A C 1 P41068 UNP 17 V +ATOM 127 C CB . VAL A 1 17 ? 27.534 11.511 -15.272 1.00 81.25 ? 17 VAL A CB 1 P41068 UNP 17 V +ATOM 128 O O . VAL A 1 17 ? 24.254 10.696 -14.902 1.00 81.25 ? 17 VAL A O 1 P41068 UNP 17 V +ATOM 129 C CG1 . VAL A 1 17 ? 27.485 10.840 -13.894 1.00 81.25 ? 17 VAL A CG1 1 P41068 UNP 17 V +ATOM 130 C CG2 . VAL A 1 17 ? 28.762 10.951 -16.005 1.00 81.25 ? 17 VAL A CG2 1 P41068 UNP 17 V +ATOM 131 N N . VAL A 1 18 ? 24.681 12.891 -15.154 1.00 83.88 ? 18 VAL A N 1 P41068 UNP 18 V +ATOM 132 C CA . VAL A 1 18 ? 23.467 13.370 -14.471 1.00 83.88 ? 18 VAL A CA 1 P41068 UNP 18 V +ATOM 133 C C . VAL A 1 18 ? 22.207 12.805 -15.129 1.00 83.88 ? 18 VAL A C 1 P41068 UNP 18 V +ATOM 134 C CB . VAL A 1 18 ? 23.432 14.911 -14.437 1.00 83.88 ? 18 VAL A CB 1 P41068 UNP 18 V +ATOM 135 O O . VAL A 1 18 ? 21.371 12.214 -14.452 1.00 83.88 ? 18 VAL A O 1 P41068 UNP 18 V +ATOM 136 C CG1 . VAL A 1 18 ? 22.111 15.451 -13.877 1.00 83.88 ? 18 VAL A CG1 1 P41068 UNP 18 V +ATOM 137 C CG2 . VAL A 1 18 ? 24.559 15.464 -13.556 1.00 83.88 ? 18 VAL A CG2 1 P41068 UNP 18 V +ATOM 138 N N . ALA A 1 19 ? 22.086 12.894 -16.457 1.00 82.88 ? 19 ALA A N 1 P41068 UNP 19 A +ATOM 139 C CA . ALA A 1 19 ? 20.929 12.355 -17.170 1.00 82.88 ? 19 ALA A CA 1 P41068 UNP 19 A +ATOM 140 C C . ALA A 1 19 ? 20.782 10.836 -16.991 1.00 82.88 ? 19 ALA A C 1 P41068 UNP 19 A +ATOM 141 C CB . ALA A 1 19 ? 21.049 12.719 -18.653 1.00 82.88 ? 19 ALA A CB 1 P41068 UNP 19 A +ATOM 142 O O . ALA A 1 19 ? 19.665 10.325 -16.954 1.00 82.88 ? 19 ALA A O 1 P41068 UNP 19 A +ATOM 143 N N . ARG A 1 20 ? 21.891 10.099 -16.884 1.00 78.31 ? 20 ARG A N 1 P41068 UNP 20 R +ATOM 144 C CA . ARG A 1 20 ? 21.870 8.653 -16.648 1.00 78.31 ? 20 ARG A CA 1 P41068 UNP 20 R +ATOM 145 C C . ARG A 1 20 ? 21.402 8.313 -15.236 1.00 78.31 ? 20 ARG A C 1 P41068 UNP 20 R +ATOM 146 C CB . ARG A 1 20 ? 23.260 8.089 -16.941 1.00 78.31 ? 20 ARG A CB 1 P41068 UNP 20 R +ATOM 147 O O . ARG A 1 20 ? 20.581 7.411 -15.092 1.00 78.31 ? 20 ARG A O 1 P41068 UNP 20 R +ATOM 148 C CG . ARG A 1 20 ? 23.277 6.567 -16.804 1.00 78.31 ? 20 ARG A CG 1 P41068 UNP 20 R +ATOM 149 C CD . ARG A 1 20 ? 24.653 6.048 -17.200 1.00 78.31 ? 20 ARG A CD 1 P41068 UNP 20 R +ATOM 150 N NE . ARG A 1 20 ? 24.688 4.586 -17.094 1.00 78.31 ? 20 ARG A NE 1 P41068 UNP 20 R +ATOM 151 N NH1 . ARG A 1 20 ? 26.799 4.289 -17.937 1.00 78.31 ? 20 ARG A NH1 1 P41068 UNP 20 R +ATOM 152 N NH2 . ARG A 1 20 ? 25.640 2.545 -17.139 1.00 78.31 ? 20 ARG A NH2 1 P41068 UNP 20 R +ATOM 153 C CZ . ARG A 1 20 ? 25.707 3.816 -17.398 1.00 78.31 ? 20 ARG A CZ 1 P41068 UNP 20 R +ATOM 154 N N . VAL A 1 21 ? 21.892 9.036 -14.230 1.00 84.06 ? 21 VAL A N 1 P41068 UNP 21 V +ATOM 155 C CA . VAL A 1 21 ? 21.455 8.875 -12.835 1.00 84.06 ? 21 VAL A CA 1 P41068 UNP 21 V +ATOM 156 C C . VAL A 1 21 ? 19.965 9.192 -12.715 1.00 84.06 ? 21 VAL A C 1 P41068 UNP 21 V +ATOM 157 C CB . VAL A 1 21 ? 22.302 9.745 -11.886 1.00 84.06 ? 21 VAL A CB 1 P41068 UNP 21 V +ATOM 158 O O . VAL A 1 21 ? 19.217 8.369 -12.199 1.00 84.06 ? 21 VAL A O 1 P41068 UNP 21 V +ATOM 159 C CG1 . VAL A 1 21 ? 21.772 9.712 -10.448 1.00 84.06 ? 21 VAL A CG1 1 P41068 UNP 21 V +ATOM 160 C CG2 . VAL A 1 21 ? 23.754 9.247 -11.852 1.00 84.06 ? 21 VAL A CG2 1 P41068 UNP 21 V +ATOM 161 N N . LEU A 1 22 ? 19.506 10.309 -13.290 1.00 87.00 ? 22 LEU A N 1 P41068 UNP 22 L +ATOM 162 C CA . LEU A 1 22 ? 18.088 10.688 -13.279 1.00 87.00 ? 22 LEU A CA 1 P41068 UNP 22 L +ATOM 163 C C . LEU A 1 22 ? 17.194 9.650 -13.968 1.00 87.00 ? 22 LEU A C 1 P41068 UNP 22 L +ATOM 164 C CB . LEU A 1 22 ? 17.915 12.065 -13.942 1.00 87.00 ? 22 LEU A CB 1 P41068 UNP 22 L +ATOM 165 O O . LEU A 1 22 ? 16.145 9.301 -13.434 1.00 87.00 ? 22 LEU A O 1 P41068 UNP 22 L +ATOM 166 C CG . LEU A 1 22 ? 18.461 13.249 -13.123 1.00 87.00 ? 22 LEU A CG 1 P41068 UNP 22 L +ATOM 167 C CD1 . LEU A 1 22 ? 18.333 14.526 -13.955 1.00 87.00 ? 22 LEU A CD1 1 P41068 UNP 22 L +ATOM 168 C CD2 . LEU A 1 22 ? 17.704 13.447 -11.810 1.00 87.00 ? 22 LEU A CD2 1 P41068 UNP 22 L +ATOM 169 N N . ARG A 1 23 ? 17.610 9.106 -15.122 1.00 85.06 ? 23 ARG A N 1 P41068 UNP 23 R +ATOM 170 C CA . ARG A 1 23 ? 16.867 8.022 -15.792 1.00 85.06 ? 23 ARG A CA 1 P41068 UNP 23 R +ATOM 171 C C . ARG A 1 23 ? 16.811 6.755 -14.945 1.00 85.06 ? 23 ARG A C 1 P41068 UNP 23 R +ATOM 172 C CB . ARG A 1 23 ? 17.484 7.689 -17.153 1.00 85.06 ? 23 ARG A CB 1 P41068 UNP 23 R +ATOM 173 O O . ARG A 1 23 ? 15.772 6.108 -14.924 1.00 85.06 ? 23 ARG A O 1 P41068 UNP 23 R +ATOM 174 C CG . ARG A 1 23 ? 17.167 8.743 -18.218 1.00 85.06 ? 23 ARG A CG 1 P41068 UNP 23 R +ATOM 175 C CD . ARG A 1 23 ? 17.890 8.364 -19.516 1.00 85.06 ? 23 ARG A CD 1 P41068 UNP 23 R +ATOM 176 N NE . ARG A 1 23 ? 18.187 9.551 -20.335 1.00 85.06 ? 23 ARG A NE 1 P41068 UNP 23 R +ATOM 177 N NH1 . ARG A 1 23 ? 17.888 8.614 -22.415 1.00 85.06 ? 23 ARG A NH1 1 P41068 UNP 23 R +ATOM 178 N NH2 . ARG A 1 23 ? 18.495 10.751 -22.238 1.00 85.06 ? 23 ARG A NH2 1 P41068 UNP 23 R +ATOM 179 C CZ . ARG A 1 23 ? 18.193 9.627 -21.652 1.00 85.06 ? 23 ARG A CZ 1 P41068 UNP 23 R +ATOM 180 N N . GLY A 1 24 ? 17.903 6.406 -14.265 1.00 83.56 ? 24 GLY A N 1 P41068 UNP 24 G +ATOM 181 C CA . GLY A 1 24 ? 17.942 5.267 -13.348 1.00 83.56 ? 24 GLY A CA 1 P41068 UNP 24 G +ATOM 182 C C . GLY A 1 24 ? 17.009 5.453 -12.153 1.00 83.56 ? 24 GLY A C 1 P41068 UNP 24 G +ATOM 183 O O . GLY A 1 24 ? 16.198 4.576 -11.882 1.00 83.56 ? 24 GLY A O 1 P41068 UNP 24 G +ATOM 184 N N . LEU A 1 25 ? 17.055 6.616 -11.499 1.00 86.56 ? 25 LEU A N 1 P41068 UNP 25 L +ATOM 185 C CA . LEU A 1 25 ? 16.174 6.945 -10.374 1.00 86.56 ? 25 LEU A CA 1 P41068 UNP 25 L +ATOM 186 C C . LEU A 1 25 ? 14.701 6.952 -10.785 1.00 86.56 ? 25 LEU A C 1 P41068 UNP 25 L +ATOM 187 C CB . LEU A 1 25 ? 16.560 8.317 -9.795 1.00 86.56 ? 25 LEU A CB 1 P41068 UNP 25 L +ATOM 188 O O . LEU A 1 25 ? 13.876 6.353 -10.102 1.00 86.56 ? 25 LEU A O 1 P41068 UNP 25 L +ATOM 189 C CG . LEU A 1 25 ? 17.896 8.344 -9.035 1.00 86.56 ? 25 LEU A CG 1 P41068 UNP 25 L +ATOM 190 C CD1 . LEU A 1 25 ? 18.215 9.786 -8.642 1.00 86.56 ? 25 LEU A CD1 1 P41068 UNP 25 L +ATOM 191 C CD2 . LEU A 1 25 ? 17.859 7.489 -7.768 1.00 86.56 ? 25 LEU A CD2 1 P41068 UNP 25 L +ATOM 192 N N . PHE A 1 26 ? 14.374 7.574 -11.920 1.00 88.12 ? 26 PHE A N 1 P41068 UNP 26 F +ATOM 193 C CA . PHE A 1 26 ? 13.010 7.586 -12.445 1.00 88.12 ? 26 PHE A CA 1 P41068 UNP 26 F +ATOM 194 C C . PHE A 1 26 ? 12.522 6.177 -12.800 1.00 88.12 ? 26 PHE A C 1 P41068 UNP 26 F +ATOM 195 C CB . PHE A 1 26 ? 12.949 8.501 -13.672 1.00 88.12 ? 26 PHE A CB 1 P41068 UNP 26 F +ATOM 196 O O . PHE A 1 26 ? 11.368 5.835 -12.545 1.00 88.12 ? 26 PHE A O 1 P41068 UNP 26 F +ATOM 197 C CG . PHE A 1 26 ? 11.550 8.615 -14.242 1.00 88.12 ? 26 PHE A CG 1 P41068 UNP 26 F +ATOM 198 C CD1 . PHE A 1 26 ? 11.166 7.841 -15.354 1.00 88.12 ? 26 PHE A CD1 1 P41068 UNP 26 F +ATOM 199 C CD2 . PHE A 1 26 ? 10.616 9.467 -13.626 1.00 88.12 ? 26 PHE A CD2 1 P41068 UNP 26 F +ATOM 200 C CE1 . PHE A 1 26 ? 9.854 7.932 -15.856 1.00 88.12 ? 26 PHE A CE1 1 P41068 UNP 26 F +ATOM 201 C CE2 . PHE A 1 26 ? 9.306 9.555 -14.126 1.00 88.12 ? 26 PHE A CE2 1 P41068 UNP 26 F +ATOM 202 C CZ . PHE A 1 26 ? 8.925 8.791 -15.242 1.00 88.12 ? 26 PHE A CZ 1 P41068 UNP 26 F +ATOM 203 N N . TRP A 1 27 ? 13.402 5.343 -13.359 1.00 86.25 ? 27 TRP A N 1 P41068 UNP 27 W +ATOM 204 C CA . TRP A 1 27 ? 13.099 3.944 -13.634 1.00 86.25 ? 27 TRP A CA 1 P41068 UNP 27 W +ATOM 205 C C . TRP A 1 27 ? 12.791 3.176 -12.348 1.00 86.25 ? 27 TRP A C 1 P41068 UNP 27 W +ATOM 206 C CB . TRP A 1 27 ? 14.256 3.312 -14.406 1.00 86.25 ? 27 TRP A CB 1 P41068 UNP 27 W +ATOM 207 O O . TRP A 1 27 ? 11.731 2.558 -12.264 1.00 86.25 ? 27 TRP A O 1 P41068 UNP 27 W +ATOM 208 C CG . TRP A 1 27 ? 13.999 1.907 -14.820 1.00 86.25 ? 27 TRP A CG 1 P41068 UNP 27 W +ATOM 209 C CD1 . TRP A 1 27 ? 13.414 1.548 -15.977 1.00 86.25 ? 27 TRP A CD1 1 P41068 UNP 27 W +ATOM 210 C CD2 . TRP A 1 27 ? 14.322 0.660 -14.128 1.00 86.25 ? 27 TRP A CD2 1 P41068 UNP 27 W +ATOM 211 C CE2 . TRP A 1 27 ? 13.894 -0.427 -14.945 1.00 86.25 ? 27 TRP A CE2 1 P41068 UNP 27 W +ATOM 212 C CE3 . TRP A 1 27 ? 14.969 0.329 -12.920 1.00 86.25 ? 27 TRP A CE3 1 P41068 UNP 27 W +ATOM 213 N NE1 . TRP A 1 27 ? 13.319 0.176 -16.030 1.00 86.25 ? 27 TRP A NE1 1 P41068 UNP 27 W +ATOM 214 C CH2 . TRP A 1 27 ? 14.755 -2.063 -13.398 1.00 86.25 ? 27 TRP A CH2 1 P41068 UNP 27 W +ATOM 215 C CZ2 . TRP A 1 27 ? 14.124 -1.767 -14.614 1.00 86.25 ? 27 TRP A CZ2 1 P41068 UNP 27 W +ATOM 216 C CZ3 . TRP A 1 27 ? 15.171 -1.017 -12.555 1.00 86.25 ? 27 TRP A CZ3 1 P41068 UNP 27 W +ATOM 217 N N . CYS A 1 28 ? 13.656 3.277 -11.334 1.00 84.50 ? 28 CYS A N 1 P41068 UNP 28 C +ATOM 218 C CA . CYS A 1 28 ? 13.413 2.668 -10.029 1.00 84.50 ? 28 CYS A CA 1 P41068 UNP 28 C +ATOM 219 C C . CYS A 1 28 ? 12.076 3.148 -9.459 1.00 84.50 ? 28 CYS A C 1 P41068 UNP 28 C +ATOM 220 C CB . CYS A 1 28 ? 14.572 2.971 -9.070 1.00 84.50 ? 28 CYS A CB 1 P41068 UNP 28 C +ATOM 221 O O . CYS A 1 28 ? 11.192 2.328 -9.255 1.00 84.50 ? 28 CYS A O 1 P41068 UNP 28 C +ATOM 222 S SG . CYS A 1 28 ? 16.074 2.098 -9.601 1.00 84.50 ? 28 CYS A SG 1 P41068 UNP 28 C +ATOM 223 N N . LEU A 1 29 ? 11.873 4.463 -9.327 1.00 89.56 ? 29 LEU A N 1 P41068 UNP 29 L +ATOM 224 C CA . LEU A 1 29 ? 10.637 5.047 -8.797 1.00 89.56 ? 29 LEU A CA 1 P41068 UNP 29 L +ATOM 225 C C . LEU A 1 29 ? 9.386 4.510 -9.507 1.00 89.56 ? 29 LEU A C 1 P41068 UNP 29 L +ATOM 226 C CB . LEU A 1 29 ? 10.734 6.578 -8.946 1.00 89.56 ? 29 LEU A CB 1 P41068 UNP 29 L +ATOM 227 O O . LEU A 1 29 ? 8.402 4.149 -8.862 1.00 89.56 ? 29 LEU A O 1 P41068 UNP 29 L +ATOM 228 C CG . LEU A 1 29 ? 9.527 7.344 -8.374 1.00 89.56 ? 29 LEU A CG 1 P41068 UNP 29 L +ATOM 229 C CD1 . LEU A 1 29 ? 9.474 7.259 -6.850 1.00 89.56 ? 29 LEU A CD1 1 P41068 UNP 29 L +ATOM 230 C CD2 . LEU A 1 29 ? 9.615 8.816 -8.776 1.00 89.56 ? 29 LEU A CD2 1 P41068 UNP 29 L +ATOM 231 N N . LYS A 1 30 ? 9.421 4.420 -10.839 1.00 88.31 ? 30 LYS A N 1 P41068 UNP 30 K +ATOM 232 C CA . LYS A 1 30 ? 8.290 3.931 -11.624 1.00 88.31 ? 30 LYS A CA 1 P41068 UNP 30 K +ATOM 233 C C . LYS A 1 30 ? 7.948 2.477 -11.299 1.00 88.31 ? 30 LYS A C 1 P41068 UNP 30 K +ATOM 234 C CB . LYS A 1 30 ? 8.569 4.174 -13.113 1.00 88.31 ? 30 LYS A CB 1 P41068 UNP 30 K +ATOM 235 O O . LYS A 1 30 ? 6.785 2.187 -11.028 1.00 88.31 ? 30 LYS A O 1 P41068 UNP 30 K +ATOM 236 C CG . LYS A 1 30 ? 7.421 3.653 -13.982 1.00 88.31 ? 30 LYS A CG 1 P41068 UNP 30 K +ATOM 237 C CD . LYS A 1 30 ? 7.527 4.145 -15.425 1.00 88.31 ? 30 LYS A CD 1 P41068 UNP 30 K +ATOM 238 C CE . LYS A 1 30 ? 6.358 3.545 -16.216 1.00 88.31 ? 30 LYS A CE 1 P41068 UNP 30 K +ATOM 239 N NZ . LYS A 1 30 ? 6.060 4.325 -17.443 1.00 88.31 ? 30 LYS A NZ 1 P41068 UNP 30 K +ATOM 240 N N . TYR A 1 31 ? 8.929 1.579 -11.343 1.00 87.56 ? 31 TYR A N 1 P41068 UNP 31 Y +ATOM 241 C CA . TYR A 1 31 ? 8.678 0.139 -11.221 1.00 87.56 ? 31 TYR A CA 1 P41068 UNP 31 Y +ATOM 242 C C . TYR A 1 31 ? 8.616 -0.357 -9.775 1.00 87.56 ? 31 TYR A C 1 P41068 UNP 31 Y +ATOM 243 C CB . TYR A 1 31 ? 9.708 -0.643 -12.046 1.00 87.56 ? 31 TYR A CB 1 P41068 UNP 31 Y +ATOM 244 O O . TYR A 1 31 ? 7.913 -1.328 -9.518 1.00 87.56 ? 31 TYR A O 1 P41068 UNP 31 Y +ATOM 245 C CG . TYR A 1 31 ? 9.525 -0.463 -13.542 1.00 87.56 ? 31 TYR A CG 1 P41068 UNP 31 Y +ATOM 246 C CD1 . TYR A 1 31 ? 8.477 -1.127 -14.208 1.00 87.56 ? 31 TYR A CD1 1 P41068 UNP 31 Y +ATOM 247 C CD2 . TYR A 1 31 ? 10.386 0.376 -14.269 1.00 87.56 ? 31 TYR A CD2 1 P41068 UNP 31 Y +ATOM 248 C CE1 . TYR A 1 31 ? 8.284 -0.944 -15.592 1.00 87.56 ? 31 TYR A CE1 1 P41068 UNP 31 Y +ATOM 249 C CE2 . TYR A 1 31 ? 10.184 0.583 -15.643 1.00 87.56 ? 31 TYR A CE2 1 P41068 UNP 31 Y +ATOM 250 O OH . TYR A 1 31 ? 8.994 0.099 -17.647 1.00 87.56 ? 31 TYR A OH 1 P41068 UNP 31 Y +ATOM 251 C CZ . TYR A 1 31 ? 9.145 -0.090 -16.310 1.00 87.56 ? 31 TYR A CZ 1 P41068 UNP 31 Y +ATOM 252 N N . THR A 1 32 ? 9.296 0.300 -8.833 1.00 88.81 ? 32 THR A N 1 P41068 UNP 32 T +ATOM 253 C CA . THR A 1 32 ? 9.297 -0.106 -7.420 1.00 88.81 ? 32 THR A CA 1 P41068 UNP 32 T +ATOM 254 C C . THR A 1 32 ? 8.261 0.628 -6.581 1.00 88.81 ? 32 THR A C 1 P41068 UNP 32 T +ATOM 255 C CB . THR A 1 32 ? 10.672 0.054 -6.754 1.00 88.81 ? 32 THR A CB 1 P41068 UNP 32 T +ATOM 256 O O . THR A 1 32 ? 7.836 0.088 -5.570 1.00 88.81 ? 32 THR A O 1 P41068 UNP 32 T +ATOM 257 C CG2 . THR A 1 32 ? 11.784 -0.676 -7.503 1.00 88.81 ? 32 THR A CG2 1 P41068 UNP 32 T +ATOM 258 O OG1 . THR A 1 32 ? 11.055 1.403 -6.632 1.00 88.81 ? 32 THR A OG1 1 P41068 UNP 32 T +ATOM 259 N N . VAL A 1 33 ? 7.828 1.832 -6.969 1.00 90.31 ? 33 VAL A N 1 P41068 UNP 33 V +ATOM 260 C CA . VAL A 1 33 ? 6.876 2.620 -6.167 1.00 90.31 ? 33 VAL A CA 1 P41068 UNP 33 V +ATOM 261 C C . VAL A 1 33 ? 5.563 2.821 -6.909 1.00 90.31 ? 33 VAL A C 1 P41068 UNP 33 V +ATOM 262 C CB . VAL A 1 33 ? 7.486 3.950 -5.683 1.00 90.31 ? 33 VAL A CB 1 P41068 UNP 33 V +ATOM 263 O O . VAL A 1 33 ? 4.528 2.363 -6.437 1.00 90.31 ? 33 VAL A O 1 P41068 UNP 33 V +ATOM 264 C CG1 . VAL A 1 33 ? 6.537 4.676 -4.724 1.00 90.31 ? 33 VAL A CG1 1 P41068 UNP 33 V +ATOM 265 C CG2 . VAL A 1 33 ? 8.821 3.734 -4.957 1.00 90.31 ? 33 VAL A CG2 1 P41068 UNP 33 V +ATOM 266 N N . ILE A 1 34 ? 5.586 3.464 -8.080 1.00 91.75 ? 34 ILE A N 1 P41068 UNP 34 I +ATOM 267 C CA . ILE A 1 34 ? 4.356 3.915 -8.756 1.00 91.75 ? 34 ILE A CA 1 P41068 UNP 34 I +ATOM 268 C C . ILE A 1 34 ? 3.480 2.730 -9.189 1.00 91.75 ? 34 ILE A C 1 P41068 UNP 34 I +ATOM 269 C CB . ILE A 1 34 ? 4.685 4.858 -9.939 1.00 91.75 ? 34 ILE A CB 1 P41068 UNP 34 I +ATOM 270 O O . ILE A 1 34 ? 2.284 2.723 -8.913 1.00 91.75 ? 34 ILE A O 1 P41068 UNP 34 I +ATOM 271 C CG1 . ILE A 1 34 ? 5.454 6.109 -9.444 1.00 91.75 ? 34 ILE A CG1 1 P41068 UNP 34 I +ATOM 272 C CG2 . ILE A 1 34 ? 3.403 5.276 -10.686 1.00 91.75 ? 34 ILE A CG2 1 P41068 UNP 34 I +ATOM 273 C CD1 . ILE A 1 34 ? 5.934 7.055 -10.554 1.00 91.75 ? 34 ILE A CD1 1 P41068 UNP 34 I +ATOM 274 N N . LEU A 1 35 ? 4.057 1.723 -9.852 1.00 91.38 ? 35 LEU A N 1 P41068 UNP 35 L +ATOM 275 C CA . LEU A 1 35 ? 3.315 0.550 -10.340 1.00 91.38 ? 35 LEU A CA 1 P41068 UNP 35 L +ATOM 276 C C . LEU A 1 35 ? 2.761 -0.343 -9.209 1.00 91.38 ? 35 LEU A C 1 P41068 UNP 35 L +ATOM 277 C CB . LEU A 1 35 ? 4.196 -0.225 -11.341 1.00 91.38 ? 35 LEU A CB 1 P41068 UNP 35 L +ATOM 278 O O . LEU A 1 35 ? 1.565 -0.649 -9.242 1.00 91.38 ? 35 LEU A O 1 P41068 UNP 35 L +ATOM 279 C CG . LEU A 1 35 ? 3.973 0.228 -12.796 1.00 91.38 ? 35 LEU A CG 1 P41068 UNP 35 L +ATOM 280 C CD1 . LEU A 1 35 ? 5.292 0.390 -13.548 1.00 91.38 ? 35 LEU A CD1 1 P41068 UNP 35 L +ATOM 281 C CD2 . LEU A 1 35 ? 3.144 -0.797 -13.568 1.00 91.38 ? 35 LEU A CD2 1 P41068 UNP 35 L +ATOM 282 N N . PRO A 1 36 ? 3.552 -0.725 -8.187 1.00 91.75 ? 36 PRO A N 1 P41068 UNP 36 P +ATOM 283 C CA . PRO A 1 36 ? 3.034 -1.435 -7.015 1.00 91.75 ? 36 PRO A CA 1 P41068 UNP 36 P +ATOM 284 C C . PRO A 1 36 ? 1.936 -0.662 -6.277 1.00 91.75 ? 36 PRO A C 1 P41068 UNP 36 P +ATOM 285 C CB . PRO A 1 36 ? 4.242 -1.662 -6.104 1.00 91.75 ? 36 PRO A CB 1 P41068 UNP 36 P +ATOM 286 O O . PRO A 1 36 ? 0.920 -1.230 -5.891 1.00 91.75 ? 36 PRO A O 1 P41068 UNP 36 P +ATOM 287 C CG . PRO A 1 36 ? 5.393 -1.741 -7.094 1.00 91.75 ? 36 PRO A CG 1 P41068 UNP 36 P +ATOM 288 C CD . PRO A 1 36 ? 5.008 -0.709 -8.149 1.00 91.75 ? 36 PRO A CD 1 P41068 UNP 36 P +ATOM 289 N N . LEU A 1 37 ? 2.094 0.652 -6.111 1.00 92.44 ? 37 LEU A N 1 P41068 UNP 37 L +ATOM 290 C CA . LEU A 1 37 ? 1.102 1.455 -5.399 1.00 92.44 ? 37 LEU A CA 1 P41068 UNP 37 L +ATOM 291 C C . LEU A 1 37 ? -0.204 1.585 -6.196 1.00 92.44 ? 37 LEU A C 1 P41068 UNP 37 L +ATOM 292 C CB . LEU A 1 37 ? 1.727 2.818 -5.074 1.00 92.44 ? 37 LEU A CB 1 P41068 UNP 37 L +ATOM 293 O O . LEU A 1 37 ? -1.289 1.421 -5.641 1.00 92.44 ? 37 LEU A O 1 P41068 UNP 37 L +ATOM 294 C CG . LEU A 1 37 ? 0.940 3.626 -4.033 1.00 92.44 ? 37 LEU A CG 1 P41068 UNP 37 L +ATOM 295 C CD1 . LEU A 1 37 ? 1.040 2.991 -2.643 1.00 92.44 ? 37 LEU A CD1 1 P41068 UNP 37 L +ATOM 296 C CD2 . LEU A 1 37 ? 1.521 5.037 -3.957 1.00 92.44 ? 37 LEU A CD2 1 P41068 UNP 37 L +ATOM 297 N N . ALA A 1 38 ? -0.105 1.815 -7.508 1.00 93.62 ? 38 ALA A N 1 P41068 UNP 38 A +ATOM 298 C CA . ALA A 1 38 ? -1.264 1.856 -8.394 1.00 93.62 ? 38 ALA A CA 1 P41068 UNP 38 A +ATOM 299 C C . ALA A 1 38 ? -2.020 0.520 -8.405 1.00 93.62 ? 38 ALA A C 1 P41068 UNP 38 A +ATOM 300 C CB . ALA A 1 38 ? -0.796 2.238 -9.803 1.00 93.62 ? 38 ALA A CB 1 P41068 UNP 38 A +ATOM 301 O O . ALA A 1 38 ? -3.248 0.509 -8.399 1.00 93.62 ? 38 ALA A O 1 P41068 UNP 38 A +ATOM 302 N N . THR A 1 39 ? -1.306 -0.609 -8.374 1.00 93.88 ? 39 THR A N 1 P41068 UNP 39 T +ATOM 303 C CA . THR A 1 39 ? -1.956 -1.924 -8.291 1.00 93.88 ? 39 THR A CA 1 P41068 UNP 39 T +ATOM 304 C C . THR A 1 39 ? -2.633 -2.170 -6.959 1.00 93.88 ? 39 THR A C 1 P41068 UNP 39 T +ATOM 305 C CB . THR A 1 39 ? -1.022 -3.094 -8.587 1.00 93.88 ? 39 THR A CB 1 P41068 UNP 39 T +ATOM 306 O O . THR A 1 39 ? -3.771 -2.625 -6.965 1.00 93.88 ? 39 THR A O 1 P41068 UNP 39 T +ATOM 307 C CG2 . THR A 1 39 ? -0.865 -3.246 -10.082 1.00 93.88 ? 39 THR A CG2 1 P41068 UNP 39 T +ATOM 308 O OG1 . THR A 1 39 ? 0.266 -2.928 -8.061 1.00 93.88 ? 39 THR A OG1 1 P41068 UNP 39 T +ATOM 309 N N . MET A 1 40 ? -2.014 -1.809 -5.835 1.00 93.56 ? 40 MET A N 1 P41068 UNP 40 M +ATOM 310 C CA . MET A 1 40 ? -2.678 -1.880 -4.528 1.00 93.56 ? 40 MET A CA 1 P41068 UNP 40 M +ATOM 311 C C . MET A 1 40 ? -3.967 -1.044 -4.502 1.00 93.56 ? 40 MET A C 1 P41068 UNP 40 M +ATOM 312 C CB . MET A 1 40 ? -1.711 -1.424 -3.425 1.00 93.56 ? 40 MET A CB 1 P41068 UNP 40 M +ATOM 313 O O . MET A 1 40 ? -4.998 -1.521 -4.031 1.00 93.56 ? 40 MET A O 1 P41068 UNP 40 M +ATOM 314 C CG . MET A 1 40 ? -0.592 -2.443 -3.178 1.00 93.56 ? 40 MET A CG 1 P41068 UNP 40 M +ATOM 315 S SD . MET A 1 40 ? -1.125 -4.040 -2.499 1.00 93.56 ? 40 MET A SD 1 P41068 UNP 40 M +ATOM 316 C CE . MET A 1 40 ? -1.520 -3.566 -0.793 1.00 93.56 ? 40 MET A CE 1 P41068 UNP 40 M +ATOM 317 N N . ALA A 1 41 ? -3.946 0.164 -5.075 1.00 92.19 ? 41 ALA A N 1 P41068 UNP 41 A +ATOM 318 C CA . ALA A 1 41 ? -5.133 1.013 -5.181 1.00 92.19 ? 41 ALA A CA 1 P41068 UNP 41 A +ATOM 319 C C . ALA A 1 41 ? -6.232 0.384 -6.057 1.00 92.19 ? 41 ALA A C 1 P41068 UNP 41 A +ATOM 320 C CB . ALA A 1 41 ? -4.705 2.386 -5.709 1.00 92.19 ? 41 ALA A CB 1 P41068 UNP 41 A +ATOM 321 O O . ALA A 1 41 ? -7.398 0.370 -5.665 1.00 92.19 ? 41 ALA A O 1 P41068 UNP 41 A +ATOM 322 N N . LEU A 1 42 ? -5.872 -0.182 -7.214 1.00 92.94 ? 42 LEU A N 1 P41068 UNP 42 L +ATOM 323 C CA . LEU A 1 42 ? -6.820 -0.889 -8.081 1.00 92.94 ? 42 LEU A CA 1 P41068 UNP 42 L +ATOM 324 C C . LEU A 1 42 ? -7.405 -2.132 -7.402 1.00 92.94 ? 42 LEU A C 1 P41068 UNP 42 L +ATOM 325 C CB . LEU A 1 42 ? -6.142 -1.278 -9.404 1.00 92.94 ? 42 LEU A CB 1 P41068 UNP 42 L +ATOM 326 O O . LEU A 1 42 ? -8.604 -2.366 -7.514 1.00 92.94 ? 42 LEU A O 1 P41068 UNP 42 L +ATOM 327 C CG . LEU A 1 42 ? -5.893 -0.106 -10.369 1.00 92.94 ? 42 LEU A CG 1 P41068 UNP 42 L +ATOM 328 C CD1 . LEU A 1 42 ? -5.095 -0.613 -11.573 1.00 92.94 ? 42 LEU A CD1 1 P41068 UNP 42 L +ATOM 329 C CD2 . LEU A 1 42 ? -7.193 0.514 -10.885 1.00 92.94 ? 42 LEU A CD2 1 P41068 UNP 42 L +ATOM 330 N N . MET A 1 43 ? -6.593 -2.897 -6.668 1.00 91.06 ? 43 MET A N 1 P41068 UNP 43 M +ATOM 331 C CA . MET A 1 43 ? -7.062 -4.052 -5.901 1.00 91.06 ? 43 MET A CA 1 P41068 UNP 43 M +ATOM 332 C C . MET A 1 43 ? -8.031 -3.630 -4.793 1.00 91.06 ? 43 MET A C 1 P41068 UNP 43 M +ATOM 333 C CB . MET A 1 43 ? -5.873 -4.824 -5.308 1.00 91.06 ? 43 MET A CB 1 P41068 UNP 43 M +ATOM 334 O O . MET A 1 43 ? -9.073 -4.258 -4.635 1.00 91.06 ? 43 MET A O 1 P41068 UNP 43 M +ATOM 335 C CG . MET A 1 43 ? -5.057 -5.575 -6.369 1.00 91.06 ? 43 MET A CG 1 P41068 UNP 43 M +ATOM 336 S SD . MET A 1 43 ? -5.943 -6.844 -7.318 1.00 91.06 ? 43 MET A SD 1 P41068 UNP 43 M +ATOM 337 C CE . MET A 1 43 ? -6.321 -8.040 -6.010 1.00 91.06 ? 43 MET A CE 1 P41068 UNP 43 M +ATOM 338 N N . ALA A 1 44 ? -7.743 -2.545 -4.069 1.00 87.31 ? 44 ALA A N 1 P41068 UNP 44 A +ATOM 339 C CA . ALA A 1 44 ? -8.645 -2.011 -3.048 1.00 87.31 ? 44 ALA A CA 1 P41068 UNP 44 A +ATOM 340 C C . ALA A 1 44 ? -9.985 -1.551 -3.648 1.00 87.31 ? 44 ALA A C 1 P41068 UNP 44 A +ATOM 341 C CB . ALA A 1 44 ? -7.929 -0.870 -2.316 1.00 87.31 ? 44 ALA A CB 1 P41068 UNP 44 A +ATOM 342 O O . ALA A 1 44 ? -11.047 -1.900 -3.132 1.00 87.31 ? 44 ALA A O 1 P41068 UNP 44 A +ATOM 343 N N . LEU A 1 45 ? -9.948 -0.831 -4.775 1.00 88.00 ? 45 LEU A N 1 P41068 UNP 45 L +ATOM 344 C CA . LEU A 1 45 ? -11.154 -0.446 -5.514 1.00 88.00 ? 45 LEU A CA 1 P41068 UNP 45 L +ATOM 345 C C . LEU A 1 45 ? -11.938 -1.674 -5.985 1.00 88.00 ? 45 LEU A C 1 P41068 UNP 45 L +ATOM 346 C CB . LEU A 1 45 ? -10.765 0.433 -6.716 1.00 88.00 ? 45 LEU A CB 1 P41068 UNP 45 L +ATOM 347 O O . LEU A 1 45 ? -13.153 -1.731 -5.813 1.00 88.00 ? 45 LEU A O 1 P41068 UNP 45 L +ATOM 348 C CG . LEU A 1 45 ? -10.315 1.855 -6.341 1.00 88.00 ? 45 LEU A CG 1 P41068 UNP 45 L +ATOM 349 C CD1 . LEU A 1 45 ? -9.725 2.542 -7.573 1.00 88.00 ? 45 LEU A CD1 1 P41068 UNP 45 L +ATOM 350 C CD2 . LEU A 1 45 ? -11.482 2.704 -5.829 1.00 88.00 ? 45 LEU A CD2 1 P41068 UNP 45 L +ATOM 351 N N . PHE A 1 46 ? -11.245 -2.681 -6.518 1.00 88.25 ? 46 PHE A N 1 P41068 UNP 46 F +ATOM 352 C CA . PHE A 1 46 ? -11.868 -3.917 -6.972 1.00 88.25 ? 46 PHE A CA 1 P41068 UNP 46 F +ATOM 353 C C . PHE A 1 46 ? -12.534 -4.680 -5.824 1.00 88.25 ? 46 PHE A C 1 P41068 UNP 46 F +ATOM 354 C CB . PHE A 1 46 ? -10.831 -4.784 -7.693 1.00 88.25 ? 46 PHE A CB 1 P41068 UNP 46 F +ATOM 355 O O . PHE A 1 46 ? -13.668 -5.118 -5.978 1.00 88.25 ? 46 PHE A O 1 P41068 UNP 46 F +ATOM 356 C CG . PHE A 1 46 ? -11.437 -6.028 -8.304 1.00 88.25 ? 46 PHE A CG 1 P41068 UNP 46 F +ATOM 357 C CD1 . PHE A 1 46 ? -11.312 -7.274 -7.662 1.00 88.25 ? 46 PHE A CD1 1 P41068 UNP 46 F +ATOM 358 C CD2 . PHE A 1 46 ? -12.168 -5.927 -9.503 1.00 88.25 ? 46 PHE A CD2 1 P41068 UNP 46 F +ATOM 359 C CE1 . PHE A 1 46 ? -11.909 -8.417 -8.224 1.00 88.25 ? 46 PHE A CE1 1 P41068 UNP 46 F +ATOM 360 C CE2 . PHE A 1 46 ? -12.766 -7.070 -10.062 1.00 88.25 ? 46 PHE A CE2 1 P41068 UNP 46 F +ATOM 361 C CZ . PHE A 1 46 ? -12.636 -8.315 -9.423 1.00 88.25 ? 46 PHE A CZ 1 P41068 UNP 46 F +ATOM 362 N N . VAL A 1 47 ? -11.892 -4.790 -4.656 1.00 84.19 ? 47 VAL A N 1 P41068 UNP 47 V +ATOM 363 C CA . VAL A 1 47 ? -12.479 -5.434 -3.466 1.00 84.19 ? 47 VAL A CA 1 P41068 UNP 47 V +ATOM 364 C C . VAL A 1 47 ? -13.746 -4.711 -3.011 1.00 84.19 ? 47 VAL A C 1 P41068 UNP 47 V +ATOM 365 C CB . VAL A 1 47 ? -11.446 -5.520 -2.325 1.00 84.19 ? 47 VAL A CB 1 P41068 UNP 47 V +ATOM 366 O O . VAL A 1 47 ? -14.737 -5.368 -2.698 1.00 84.19 ? 47 VAL A O 1 P41068 UNP 47 V +ATOM 367 C CG1 . VAL A 1 47 ? -12.061 -5.934 -0.981 1.00 84.19 ? 47 VAL A CG1 1 P41068 UNP 47 V +ATOM 368 C CG2 . VAL A 1 47 ? -10.373 -6.565 -2.662 1.00 84.19 ? 47 VAL A CG2 1 P41068 UNP 47 V +ATOM 369 N N . LEU A 1 48 ? -13.752 -3.375 -3.029 1.00 82.44 ? 48 LEU A N 1 P41068 UNP 48 L +ATOM 370 C CA . LEU A 1 48 ? -14.941 -2.590 -2.688 1.00 82.44 ? 48 LEU A CA 1 P41068 UNP 48 L +ATOM 371 C C . LEU A 1 48 ? -16.073 -2.759 -3.714 1.00 82.44 ? 48 LEU A C 1 P41068 UNP 48 L +ATOM 372 C CB . LEU A 1 48 ? -14.540 -1.110 -2.545 1.00 82.44 ? 48 LEU A CB 1 P41068 UNP 48 L +ATOM 373 O O . LEU A 1 48 ? -17.244 -2.652 -3.356 1.00 82.44 ? 48 LEU A O 1 P41068 UNP 48 L +ATOM 374 C CG . LEU A 1 48 ? -13.654 -0.809 -1.322 1.00 82.44 ? 48 LEU A CG 1 P41068 UNP 48 L +ATOM 375 C CD1 . LEU A 1 48 ? -13.160 0.636 -1.399 1.00 82.44 ? 48 LEU A CD1 1 P41068 UNP 48 L +ATOM 376 C CD2 . LEU A 1 48 ? -14.409 -0.991 -0.003 1.00 82.44 ? 48 LEU A CD2 1 P41068 UNP 48 L +ATOM 377 N N . TRP A 1 49 ? -15.743 -3.020 -4.980 1.00 82.12 ? 49 TRP A N 1 P41068 UNP 49 W +ATOM 378 C CA . TRP A 1 49 ? -16.721 -3.129 -6.066 1.00 82.12 ? 49 TRP A CA 1 P41068 UNP 49 W +ATOM 379 C C . TRP A 1 49 ? -17.228 -4.560 -6.301 1.00 82.12 ? 49 TRP A C 1 P41068 UNP 49 W +ATOM 380 C CB . TRP A 1 49 ? -16.113 -2.534 -7.344 1.00 82.12 ? 49 TRP A CB 1 P41068 UNP 49 W +ATOM 381 O O . TRP A 1 49 ? -18.367 -4.723 -6.735 1.00 82.12 ? 49 TRP A O 1 P41068 UNP 49 W +ATOM 382 C CG . TRP A 1 49 ? -16.012 -1.035 -7.409 1.00 82.12 ? 49 TRP A CG 1 P41068 UNP 49 W +ATOM 383 C CD1 . TRP A 1 49 ? -15.890 -0.178 -6.367 1.00 82.12 ? 49 TRP A CD1 1 P41068 UNP 49 W +ATOM 384 C CD2 . TRP A 1 49 ? -16.032 -0.193 -8.602 1.00 82.12 ? 49 TRP A CD2 1 P41068 UNP 49 W +ATOM 385 C CE2 . TRP A 1 49 ? -15.930 1.172 -8.199 1.00 82.12 ? 49 TRP A CE2 1 P41068 UNP 49 W +ATOM 386 C CE3 . TRP A 1 49 ? -16.132 -0.448 -9.986 1.00 82.12 ? 49 TRP A CE3 1 P41068 UNP 49 W +ATOM 387 N NE1 . TRP A 1 49 ? -15.842 1.122 -6.826 1.00 82.12 ? 49 TRP A NE1 1 P41068 UNP 49 W +ATOM 388 C CH2 . TRP A 1 49 ? -16.038 1.942 -10.488 1.00 82.12 ? 49 TRP A CH2 1 P41068 UNP 49 W +ATOM 389 C CZ2 . TRP A 1 49 ? -15.932 2.231 -9.117 1.00 82.12 ? 49 TRP A CZ2 1 P41068 UNP 49 W +ATOM 390 C CZ3 . TRP A 1 49 ? -16.135 0.607 -10.919 1.00 82.12 ? 49 TRP A CZ3 1 P41068 UNP 49 W +ATOM 391 N N . LYS A 1 50 ? -16.421 -5.589 -6.000 1.00 80.44 ? 50 LYS A N 1 P41068 UNP 50 K +ATOM 392 C CA . LYS A 1 50 ? -16.637 -6.997 -6.396 1.00 80.44 ? 50 LYS A CA 1 P41068 UNP 50 K +ATOM 393 C C . LYS A 1 50 ? -18.038 -7.528 -6.080 1.00 80.44 ? 50 LYS A C 1 P41068 UNP 50 K +ATOM 394 C CB . LYS A 1 50 ? -15.562 -7.874 -5.725 1.00 80.44 ? 50 LYS A CB 1 P41068 UNP 50 K +ATOM 395 O O . LYS A 1 50 ? -18.606 -8.236 -6.902 1.00 80.44 ? 50 LYS A O 1 P41068 UNP 50 K +ATOM 396 C CG . LYS A 1 50 ? -15.569 -9.332 -6.225 1.00 80.44 ? 50 LYS A CG 1 P41068 UNP 50 K +ATOM 397 C CD . LYS A 1 50 ? -14.579 -10.224 -5.457 1.00 80.44 ? 50 LYS A CD 1 P41068 UNP 50 K +ATOM 398 C CE . LYS A 1 50 ? -14.996 -10.460 -3.997 1.00 80.44 ? 50 LYS A CE 1 P41068 UNP 50 K +ATOM 399 N NZ . LYS A 1 50 ? -16.202 -11.310 -3.879 1.00 80.44 ? 50 LYS A NZ 1 P41068 UNP 50 K +ATOM 400 N N . ASP A 1 51 ? -18.589 -7.189 -4.916 1.00 77.75 ? 51 ASP A N 1 P41068 UNP 51 D +ATOM 401 C CA . ASP A 1 51 ? -19.840 -7.782 -4.419 1.00 77.75 ? 51 ASP A CA 1 P41068 UNP 51 D +ATOM 402 C C . ASP A 1 51 ? -21.022 -6.797 -4.371 1.00 77.75 ? 51 ASP A C 1 P41068 UNP 51 D +ATOM 403 C CB . ASP A 1 51 ? -19.570 -8.458 -3.063 1.00 77.75 ? 51 ASP A CB 1 P41068 UNP 51 D +ATOM 404 O O . ASP A 1 51 ? -22.014 -7.056 -3.685 1.00 77.75 ? 51 ASP A O 1 P41068 UNP 51 D +ATOM 405 C CG . ASP A 1 51 ? -18.625 -9.652 -3.174 1.00 77.75 ? 51 ASP A CG 1 P41068 UNP 51 D +ATOM 406 O OD1 . ASP A 1 51 ? -18.664 -10.385 -4.188 1.00 77.75 ? 51 ASP A OD1 1 P41068 UNP 51 D +ATOM 407 O OD2 . ASP A 1 51 ? -17.785 -9.863 -2.269 1.00 77.75 ? 51 ASP A OD2 1 P41068 UNP 51 D +ATOM 408 N N . ASN A 1 52 ? -20.934 -5.632 -5.035 1.00 74.44 ? 52 ASN A N 1 P41068 UNP 52 N +ATOM 409 C CA . ASN A 1 52 ? -21.868 -4.509 -4.810 1.00 74.44 ? 52 ASN A CA 1 P41068 UNP 52 N +ATOM 410 C C . ASN A 1 52 ? -22.040 -4.183 -3.306 1.00 74.44 ? 52 ASN A C 1 P41068 UNP 52 N +ATOM 411 C CB . ASN A 1 52 ? -23.209 -4.769 -5.525 1.00 74.44 ? 52 ASN A CB 1 P41068 UNP 52 N +ATOM 412 O O . ASN A 1 52 ? -23.080 -3.693 -2.843 1.00 74.44 ? 52 ASN A O 1 P41068 UNP 52 N +ATOM 413 C CG . ASN A 1 52 ? -23.080 -4.774 -7.032 1.00 74.44 ? 52 ASN A CG 1 P41068 UNP 52 N +ATOM 414 N ND2 . ASN A 1 52 ? -23.614 -5.769 -7.701 1.00 74.44 ? 52 ASN A ND2 1 P41068 UNP 52 N +ATOM 415 O OD1 . ASN A 1 52 ? -22.534 -3.868 -7.629 1.00 74.44 ? 52 ASN A OD1 1 P41068 UNP 52 N +ATOM 416 N N . THR A 1 53 ? -21.022 -4.512 -2.510 1.00 77.62 ? 53 THR A N 1 P41068 UNP 53 T +ATOM 417 C CA . THR A 1 53 ? -20.974 -4.273 -1.076 1.00 77.62 ? 53 THR A CA 1 P41068 UNP 53 T +ATOM 418 C C . THR A 1 53 ? -20.673 -2.809 -0.863 1.00 77.62 ? 53 THR A C 1 P41068 UNP 53 T +ATOM 419 C CB . THR A 1 53 ? -19.913 -5.141 -0.389 1.00 77.62 ? 53 THR A CB 1 P41068 UNP 53 T +ATOM 420 O O . THR A 1 53 ? -19.548 -2.354 -1.036 1.00 77.62 ? 53 THR A O 1 P41068 UNP 53 T +ATOM 421 C CG2 . THR A 1 53 ? -20.449 -6.554 -0.164 1.00 77.62 ? 53 THR A CG2 1 P41068 UNP 53 T +ATOM 422 O OG1 . THR A 1 53 ? -18.744 -5.212 -1.170 1.00 77.62 ? 53 THR A OG1 1 P41068 UNP 53 T +ATOM 423 N N . THR A 1 54 ? -21.693 -2.051 -0.485 1.00 84.31 ? 54 THR A N 1 P41068 UNP 54 T +ATOM 424 C CA . THR A 1 54 ? -21.487 -0.665 -0.087 1.00 84.31 ? 54 THR A CA 1 P41068 UNP 54 T +ATOM 425 C C . THR A 1 54 ? -20.650 -0.621 1.195 1.00 84.31 ? 54 THR A C 1 P41068 UNP 54 T +ATOM 426 C CB . THR A 1 54 ? -22.816 0.082 0.084 1.00 84.31 ? 54 THR A CB 1 P41068 UNP 54 T +ATOM 427 O O . THR A 1 54 ? -20.773 -1.519 2.038 1.00 84.31 ? 54 THR A O 1 P41068 UNP 54 T +ATOM 428 C CG2 . THR A 1 54 ? -23.604 0.132 -1.224 1.00 84.31 ? 54 THR A CG2 1 P41068 UNP 54 T +ATOM 429 O OG1 . THR A 1 54 ? -23.640 -0.537 1.045 1.00 84.31 ? 54 THR A OG1 1 P41068 UNP 54 T +ATOM 430 N N . PRO A 1 55 ? -19.840 0.433 1.399 1.00 82.69 ? 55 PRO A N 1 P41068 UNP 55 P +ATOM 431 C CA . PRO A 1 55 ? -19.079 0.601 2.638 1.00 82.69 ? 55 PRO A CA 1 P41068 UNP 55 P +ATOM 432 C C . PRO A 1 55 ? -19.983 0.525 3.880 1.00 82.69 ? 55 PRO A C 1 P41068 UNP 55 P +ATOM 433 C CB . PRO A 1 55 ? -18.369 1.954 2.497 1.00 82.69 ? 55 PRO A CB 1 P41068 UNP 55 P +ATOM 434 O O . PRO A 1 55 ? -19.596 -0.050 4.891 1.00 82.69 ? 55 PRO A O 1 P41068 UNP 55 P +ATOM 435 C CG . PRO A 1 55 ? -19.158 2.696 1.416 1.00 82.69 ? 55 PRO A CG 1 P41068 UNP 55 P +ATOM 436 C CD . PRO A 1 55 ? -19.635 1.567 0.510 1.00 82.69 ? 55 PRO A CD 1 P41068 UNP 55 P +ATOM 437 N N . GLY A 1 56 ? -21.237 0.986 3.780 1.00 87.12 ? 56 GLY A N 1 P41068 UNP 56 G +ATOM 438 C CA . GLY A 1 56 ? -22.232 0.846 4.848 1.00 87.12 ? 56 GLY A CA 1 P41068 UNP 56 G +ATOM 439 C C . GLY A 1 56 ? -22.585 -0.606 5.202 1.00 87.12 ? 56 GLY A C 1 P41068 UNP 56 G +ATOM 440 O O . GLY A 1 56 ? -22.688 -0.930 6.382 1.00 87.12 ? 56 GLY A O 1 P41068 UNP 56 G +ATOM 441 N N . LYS A 1 57 ? -22.723 -1.508 4.216 1.00 88.94 ? 57 LYS A N 1 P41068 UNP 57 K +ATOM 442 C CA . LYS A 1 57 ? -22.986 -2.938 4.478 1.00 88.94 ? 57 LYS A CA 1 P41068 UNP 57 K +ATOM 443 C C . LYS A 1 57 ? -21.809 -3.610 5.187 1.00 88.94 ? 57 LYS A C 1 P41068 UNP 57 K +ATOM 444 C CB . LYS A 1 57 ? -23.297 -3.689 3.172 1.00 88.94 ? 57 LYS A CB 1 P41068 UNP 57 K +ATOM 445 O O . LYS A 1 57 ? -22.030 -4.430 6.075 1.00 88.94 ? 57 LYS A O 1 P41068 UNP 57 K +ATOM 446 C CG . LYS A 1 57 ? -24.712 -3.429 2.635 1.00 88.94 ? 57 LYS A CG 1 P41068 UNP 57 K +ATOM 447 C CD . LYS A 1 57 ? -24.904 -4.174 1.305 1.00 88.94 ? 57 LYS A CD 1 P41068 UNP 57 K +ATOM 448 C CE . LYS A 1 57 ? -26.298 -3.936 0.713 1.00 88.94 ? 57 LYS A CE 1 P41068 UNP 57 K +ATOM 449 N NZ . LYS A 1 57 ? -26.437 -4.599 -0.612 1.00 88.94 ? 57 LYS A NZ 1 P41068 UNP 57 K +ATOM 450 N N . LEU A 1 58 ? -20.579 -3.252 4.811 1.00 88.75 ? 58 LEU A N 1 P41068 UNP 58 L +ATOM 451 C CA . LEU A 1 58 ? -19.365 -3.768 5.450 1.00 88.75 ? 58 LEU A CA 1 P41068 UNP 58 L +ATOM 452 C C . LEU A 1 58 ? -19.271 -3.318 6.910 1.00 88.75 ? 58 LEU A C 1 P41068 UNP 58 L +ATOM 453 C CB . LEU A 1 58 ? -18.127 -3.332 4.645 1.00 88.75 ? 58 LEU A CB 1 P41068 UNP 58 L +ATOM 454 O O . LEU A 1 58 ? -19.066 -4.155 7.784 1.00 88.75 ? 58 LEU A O 1 P41068 UNP 58 L +ATOM 455 C CG . LEU A 1 58 ? -17.934 -4.114 3.334 1.00 88.75 ? 58 LEU A CG 1 P41068 UNP 58 L +ATOM 456 C CD1 . LEU A 1 58 ? -16.874 -3.433 2.470 1.00 88.75 ? 58 LEU A CD1 1 P41068 UNP 58 L +ATOM 457 C CD2 . LEU A 1 58 ? -17.488 -5.556 3.594 1.00 88.75 ? 58 LEU A CD2 1 P41068 UNP 58 L +ATOM 458 N N . LEU A 1 59 ? -19.523 -2.034 7.184 1.00 90.00 ? 59 LEU A N 1 P41068 UNP 59 L +ATOM 459 C CA . LEU A 1 59 ? -19.527 -1.502 8.549 1.00 90.00 ? 59 LEU A CA 1 P41068 UNP 59 L +ATOM 460 C C . LEU A 1 59 ? -20.559 -2.200 9.441 1.00 90.00 ? 59 LEU A C 1 P41068 UNP 59 L +ATOM 461 C CB . LEU A 1 59 ? -19.797 0.012 8.511 1.00 90.00 ? 59 LEU A CB 1 P41068 UNP 59 L +ATOM 462 O O . LEU A 1 59 ? -20.236 -2.584 10.559 1.00 90.00 ? 59 LEU A O 1 P41068 UNP 59 L +ATOM 463 C CG . LEU A 1 59 ? -18.625 0.857 7.981 1.00 90.00 ? 59 LEU A CG 1 P41068 UNP 59 L +ATOM 464 C CD1 . LEU A 1 59 ? -19.091 2.304 7.812 1.00 90.00 ? 59 LEU A CD1 1 P41068 UNP 59 L +ATOM 465 C CD2 . LEU A 1 59 ? -17.426 0.842 8.929 1.00 90.00 ? 59 LEU A CD2 1 P41068 UNP 59 L +ATOM 466 N N . VAL A 1 60 ? -21.788 -2.411 8.958 1.00 93.12 ? 60 VAL A N 1 P41068 UNP 60 V +ATOM 467 C CA . VAL A 1 60 ? -22.829 -3.101 9.744 1.00 93.12 ? 60 VAL A CA 1 P41068 UNP 60 V +ATOM 468 C C . VAL A 1 60 ? -22.448 -4.554 10.025 1.00 93.12 ? 60 VAL A C 1 P41068 UNP 60 V +ATOM 469 C CB . VAL A 1 60 ? -24.197 -3.016 9.043 1.00 93.12 ? 60 VAL A CB 1 P41068 UNP 60 V +ATOM 470 O O . VAL A 1 60 ? -22.668 -5.034 11.137 1.00 93.12 ? 60 VAL A O 1 P41068 UNP 60 V +ATOM 471 C CG1 . VAL A 1 60 ? -25.268 -3.887 9.716 1.00 93.12 ? 60 VAL A CG1 1 P41068 UNP 60 V +ATOM 472 C CG2 . VAL A 1 60 ? -24.712 -1.571 9.061 1.00 93.12 ? 60 VAL A CG2 1 P41068 UNP 60 V +ATOM 473 N N . LYS A 1 61 ? -21.866 -5.256 9.045 1.00 90.56 ? 61 LYS A N 1 P41068 UNP 61 K +ATOM 474 C CA . LYS A 1 61 ? -21.398 -6.634 9.231 1.00 90.56 ? 61 LYS A CA 1 P41068 UNP 61 K +ATOM 475 C C . LYS A 1 61 ? -20.320 -6.708 10.313 1.00 90.56 ? 61 LYS A C 1 P41068 UNP 61 K +ATOM 476 C CB . LYS A 1 61 ? -20.911 -7.195 7.888 1.00 90.56 ? 61 LYS A CB 1 P41068 UNP 61 K +ATOM 477 O O . LYS A 1 61 ? -20.416 -7.567 11.184 1.00 90.56 ? 61 LYS A O 1 P41068 UNP 61 K +ATOM 478 C CG . LYS A 1 61 ? -20.593 -8.693 7.990 1.00 90.56 ? 61 LYS A CG 1 P41068 UNP 61 K +ATOM 479 C CD . LYS A 1 61 ? -20.140 -9.254 6.638 1.00 90.56 ? 61 LYS A CD 1 P41068 UNP 61 K +ATOM 480 C CE . LYS A 1 61 ? -19.820 -10.744 6.802 1.00 90.56 ? 61 LYS A CE 1 P41068 UNP 61 K +ATOM 481 N NZ . LYS A 1 61 ? -19.308 -11.344 5.545 1.00 90.56 ? 61 LYS A NZ 1 P41068 UNP 61 K +ATOM 482 N N . GLU A 1 62 ? -19.366 -5.782 10.289 1.00 89.31 ? 62 GLU A N 1 P41068 UNP 62 E +ATOM 483 C CA . GLU A 1 62 ? -18.286 -5.723 11.276 1.00 89.31 ? 62 GLU A CA 1 P41068 UNP 62 E +ATOM 484 C C . GLU A 1 62 ? -18.800 -5.352 12.673 1.00 89.31 ? 62 GLU A C 1 P41068 UNP 62 E +ATOM 485 C CB . GLU A 1 62 ? -17.221 -4.727 10.789 1.00 89.31 ? 62 GLU A CB 1 P41068 UNP 62 E +ATOM 486 O O . GLU A 1 62 ? -18.490 -6.021 13.652 1.00 89.31 ? 62 GLU A O 1 P41068 UNP 62 E +ATOM 487 C CG . GLU A 1 62 ? -15.924 -4.802 11.609 1.00 89.31 ? 62 GLU A CG 1 P41068 UNP 62 E +ATOM 488 C CD . GLU A 1 62 ? -15.308 -6.210 11.608 1.00 89.31 ? 62 GLU A CD 1 P41068 UNP 62 E +ATOM 489 O OE1 . GLU A 1 62 ? -14.694 -6.571 12.633 1.00 89.31 ? 62 GLU A OE1 1 P41068 UNP 62 E +ATOM 490 O OE2 . GLU A 1 62 ? -15.501 -6.928 10.596 1.00 89.31 ? 62 GLU A OE2 1 P41068 UNP 62 E +ATOM 491 N N . ILE A 1 63 ? -19.676 -4.348 12.781 1.00 91.25 ? 63 ILE A N 1 P41068 UNP 63 I +ATOM 492 C CA . ILE A 1 63 ? -20.281 -3.959 14.064 1.00 91.25 ? 63 ILE A CA 1 P41068 UNP 63 I +ATOM 493 C C . ILE A 1 63 ? -21.069 -5.124 14.674 1.00 91.25 ? 63 ILE A C 1 P41068 UNP 63 I +ATOM 494 C CB . ILE A 1 63 ? -21.180 -2.716 13.875 1.00 91.25 ? 63 ILE A CB 1 P41068 UNP 63 I +ATOM 495 O O . ILE A 1 63 ? -20.980 -5.365 15.879 1.00 91.25 ? 63 ILE A O 1 P41068 UNP 63 I +ATOM 496 C CG1 . ILE A 1 63 ? -20.321 -1.470 13.560 1.00 91.25 ? 63 ILE A CG1 1 P41068 UNP 63 I +ATOM 497 C CG2 . ILE A 1 63 ? -22.043 -2.444 15.126 1.00 91.25 ? 63 ILE A CG2 1 P41068 UNP 63 I +ATOM 498 C CD1 . ILE A 1 63 ? -21.131 -0.305 12.973 1.00 91.25 ? 63 ILE A CD1 1 P41068 UNP 63 I +ATOM 499 N N . ASN A 1 64 ? -21.848 -5.846 13.864 1.00 92.81 ? 64 ASN A N 1 P41068 UNP 64 N +ATOM 500 C CA . ASN A 1 64 ? -22.598 -7.008 14.338 1.00 92.81 ? 64 ASN A CA 1 P41068 UNP 64 N +ATOM 501 C C . ASN A 1 64 ? -21.671 -8.145 14.772 1.00 92.81 ? 64 ASN A C 1 P41068 UNP 64 N +ATOM 502 C CB . ASN A 1 64 ? -23.573 -7.474 13.249 1.00 92.81 ? 64 ASN A CB 1 P41068 UNP 64 N +ATOM 503 O O . ASN A 1 64 ? -21.958 -8.788 15.778 1.00 92.81 ? 64 ASN A O 1 P41068 UNP 64 N +ATOM 504 C CG . ASN A 1 64 ? -24.800 -6.589 13.136 1.00 92.81 ? 64 ASN A CG 1 P41068 UNP 64 N +ATOM 505 N ND2 . ASN A 1 64 ? -25.443 -6.597 11.992 1.00 92.81 ? 64 ASN A ND2 1 P41068 UNP 64 N +ATOM 506 O OD1 . ASN A 1 64 ? -25.231 -5.918 14.061 1.00 92.81 ? 64 ASN A OD1 1 P41068 UNP 64 N +ATOM 507 N N . PHE A 1 65 ? -20.565 -8.361 14.059 1.00 90.19 ? 65 PHE A N 1 P41068 UNP 65 F +ATOM 508 C CA . PHE A 1 65 ? -19.549 -9.334 14.443 1.00 90.19 ? 65 PHE A CA 1 P41068 UNP 65 F +ATOM 509 C C . PHE A 1 65 ? -18.929 -8.983 15.803 1.00 90.19 ? 65 PHE A C 1 P41068 UNP 65 F +ATOM 510 C CB . PHE A 1 65 ? -18.504 -9.428 13.325 1.00 90.19 ? 65 PHE A CB 1 P41068 UNP 65 F +ATOM 511 O O . PHE A 1 65 ? -19.015 -9.776 16.738 1.00 90.19 ? 65 PHE A O 1 P41068 UNP 65 F +ATOM 512 C CG . PHE A 1 65 ? -17.364 -10.351 13.675 1.00 90.19 ? 65 PHE A CG 1 P41068 UNP 65 F +ATOM 513 C CD1 . PHE A 1 65 ? -16.109 -9.821 14.029 1.00 90.19 ? 65 PHE A CD1 1 P41068 UNP 65 F +ATOM 514 C CD2 . PHE A 1 65 ? -17.583 -11.740 13.709 1.00 90.19 ? 65 PHE A CD2 1 P41068 UNP 65 F +ATOM 515 C CE1 . PHE A 1 65 ? -15.084 -10.683 14.449 1.00 90.19 ? 65 PHE A CE1 1 P41068 UNP 65 F +ATOM 516 C CE2 . PHE A 1 65 ? -16.555 -12.601 14.122 1.00 90.19 ? 65 PHE A CE2 1 P41068 UNP 65 F +ATOM 517 C CZ . PHE A 1 65 ? -15.316 -12.066 14.509 1.00 90.19 ? 65 PHE A CZ 1 P41068 UNP 65 F +ATOM 518 N N . VAL A 1 66 ? -18.431 -7.755 15.971 1.00 90.31 ? 66 VAL A N 1 P41068 UNP 66 V +ATOM 519 C CA . VAL A 1 66 ? -17.847 -7.291 17.242 1.00 90.31 ? 66 VAL A CA 1 P41068 UNP 66 V +ATOM 520 C C . VAL A 1 66 ? -18.841 -7.422 18.399 1.00 90.31 ? 66 VAL A C 1 P41068 UNP 66 V +ATOM 521 C CB . VAL A 1 66 ? -17.336 -5.843 17.106 1.00 90.31 ? 66 VAL A CB 1 P41068 UNP 66 V +ATOM 522 O O . VAL A 1 66 ? -18.478 -7.928 19.456 1.00 90.31 ? 66 VAL A O 1 P41068 UNP 66 V +ATOM 523 C CG1 . VAL A 1 66 ? -16.856 -5.258 18.442 1.00 90.31 ? 66 VAL A CG1 1 P41068 UNP 66 V +ATOM 524 C CG2 . VAL A 1 66 ? -16.161 -5.769 16.123 1.00 90.31 ? 66 VAL A CG2 1 P41068 UNP 66 V +ATOM 525 N N . ARG A 1 67 ? -20.110 -7.042 18.193 1.00 89.31 ? 67 ARG A N 1 P41068 UNP 67 R +ATOM 526 C CA . ARG A 1 67 ? -21.166 -7.156 19.218 1.00 89.31 ? 67 ARG A CA 1 P41068 UNP 67 R +ATOM 527 C C . ARG A 1 67 ? -21.492 -8.593 19.623 1.00 89.31 ? 67 ARG A C 1 P41068 UNP 67 R +ATOM 528 C CB . ARG A 1 67 ? -22.454 -6.496 18.715 1.00 89.31 ? 67 ARG A CB 1 P41068 UNP 67 R +ATOM 529 O O . ARG A 1 67 ? -21.936 -8.800 20.746 1.00 89.31 ? 67 ARG A O 1 P41068 UNP 67 R +ATOM 530 C CG . ARG A 1 67 ? -22.403 -4.968 18.783 1.00 89.31 ? 67 ARG A CG 1 P41068 UNP 67 R +ATOM 531 C CD . ARG A 1 67 ? -23.701 -4.421 18.185 1.00 89.31 ? 67 ARG A CD 1 P41068 UNP 67 R +ATOM 532 N NE . ARG A 1 67 ? -23.728 -2.949 18.202 1.00 89.31 ? 67 ARG A NE 1 P41068 UNP 67 R +ATOM 533 N NH1 . ARG A 1 67 ? -25.780 -2.710 17.210 1.00 89.31 ? 67 ARG A NH1 1 P41068 UNP 67 R +ATOM 534 N NH2 . ARG A 1 67 ? -24.615 -0.895 17.793 1.00 89.31 ? 67 ARG A NH2 1 P41068 UNP 67 R +ATOM 535 C CZ . ARG A 1 67 ? -24.704 -2.195 17.738 1.00 89.31 ? 67 ARG A CZ 1 P41068 UNP 67 R +ATOM 536 N N . GLN A 1 68 ? -21.355 -9.555 18.712 1.00 89.56 ? 68 GLN A N 1 P41068 UNP 68 Q +ATOM 537 C CA . GLN A 1 68 ? -21.640 -10.966 18.992 1.00 89.56 ? 68 GLN A CA 1 P41068 UNP 68 Q +ATOM 538 C C . GLN A 1 68 ? -20.438 -11.691 19.602 1.00 89.56 ? 68 GLN A C 1 P41068 UNP 68 Q +ATOM 539 C CB . GLN A 1 68 ? -22.091 -11.669 17.704 1.00 89.56 ? 68 GLN A CB 1 P41068 UNP 68 Q +ATOM 540 O O . GLN A 1 68 ? -20.625 -12.659 20.335 1.00 89.56 ? 68 GLN A O 1 P41068 UNP 68 Q +ATOM 541 C CG . GLN A 1 68 ? -23.511 -11.250 17.296 1.00 89.56 ? 68 GLN A CG 1 P41068 UNP 68 Q +ATOM 542 C CD . GLN A 1 68 ? -23.978 -11.904 16.001 1.00 89.56 ? 68 GLN A CD 1 P41068 UNP 68 Q +ATOM 543 N NE2 . GLN A 1 68 ? -25.076 -11.449 15.436 1.00 89.56 ? 68 GLN A NE2 1 P41068 UNP 68 Q +ATOM 544 O OE1 . GLN A 1 68 ? -23.411 -12.841 15.469 1.00 89.56 ? 68 GLN A OE1 1 P41068 UNP 68 Q +ATOM 545 N N . THR A 1 69 ? -19.219 -11.242 19.303 1.00 88.44 ? 69 THR A N 1 P41068 UNP 69 T +ATOM 546 C CA . THR A 1 69 ? -17.989 -11.947 19.685 1.00 88.44 ? 69 THR A CA 1 P41068 UNP 69 T +ATOM 547 C C . THR A 1 69 ? -17.309 -11.357 20.921 1.00 88.44 ? 69 THR A C 1 P41068 UNP 69 T +ATOM 548 C CB . THR A 1 69 ? -17.029 -11.989 18.486 1.00 88.44 ? 69 THR A CB 1 P41068 UNP 69 T +ATOM 549 O O . THR A 1 69 ? -16.657 -12.102 21.649 1.00 88.44 ? 69 THR A O 1 P41068 UNP 69 T +ATOM 550 C CG2 . THR A 1 69 ? -15.833 -12.914 18.695 1.00 88.44 ? 69 THR A CG2 1 P41068 UNP 69 T +ATOM 551 O OG1 . THR A 1 69 ? -17.700 -12.498 17.357 1.00 88.44 ? 69 THR A OG1 1 P41068 UNP 69 T +ATOM 552 N N . ALA A 1 70 ? -17.449 -10.055 21.190 1.00 88.44 ? 70 ALA A N 1 P41068 UNP 70 A +ATOM 553 C CA . ALA A 1 70 ? -16.781 -9.386 22.306 1.00 88.44 ? 70 ALA A CA 1 P41068 UNP 70 A +ATOM 554 C C . ALA A 1 70 ? -17.770 -8.667 23.247 1.00 88.44 ? 70 ALA A C 1 P41068 UNP 70 A +ATOM 555 C CB . ALA A 1 70 ? -15.716 -8.433 21.751 1.00 88.44 ? 70 ALA A CB 1 P41068 UNP 70 A +ATOM 556 O O . ALA A 1 70 ? -18.796 -8.145 22.802 1.00 88.44 ? 70 ALA A O 1 P41068 UNP 70 A +ATOM 557 N N . PRO A 1 71 ? -17.471 -8.609 24.560 1.00 88.69 ? 71 PRO A N 1 P41068 UNP 71 P +ATOM 558 C CA . PRO A 1 71 ? -18.253 -7.827 25.509 1.00 88.69 ? 71 PRO A CA 1 P41068 UNP 71 P +ATOM 559 C C . PRO A 1 71 ? -18.143 -6.322 25.221 1.00 88.69 ? 71 PRO A C 1 P41068 UNP 71 P +ATOM 560 C CB . PRO A 1 71 ? -17.713 -8.208 26.892 1.00 88.69 ? 71 PRO A CB 1 P41068 UNP 71 P +ATOM 561 O O . PRO A 1 71 ? -17.202 -5.849 24.582 1.00 88.69 ? 71 PRO A O 1 P41068 UNP 71 P +ATOM 562 C CG . PRO A 1 71 ? -16.262 -8.585 26.610 1.00 88.69 ? 71 PRO A CG 1 P41068 UNP 71 P +ATOM 563 C CD . PRO A 1 71 ? -16.321 -9.210 25.220 1.00 88.69 ? 71 PRO A CD 1 P41068 UNP 71 P +ATOM 564 N N . ALA A 1 72 ? -19.110 -5.547 25.719 1.00 87.00 ? 72 ALA A N 1 P41068 UNP 72 A +ATOM 565 C CA . ALA A 1 72 ? -19.163 -4.105 25.490 1.00 87.00 ? 72 ALA A CA 1 P41068 UNP 72 A +ATOM 566 C C . ALA A 1 72 ? -17.862 -3.405 25.931 1.00 87.00 ? 72 ALA A C 1 P41068 UNP 72 A +ATOM 567 C CB . ALA A 1 72 ? -20.389 -3.528 26.209 1.00 87.00 ? 72 ALA A CB 1 P41068 UNP 72 A +ATOM 568 O O . ALA A 1 72 ? -17.418 -3.556 27.067 1.00 87.00 ? 72 ALA A O 1 P41068 UNP 72 A +ATOM 569 N N . GLY A 1 73 ? -17.273 -2.621 25.024 1.00 87.44 ? 73 GLY A N 1 P41068 UNP 73 G +ATOM 570 C CA . GLY A 1 73 ? -16.012 -1.907 25.251 1.00 87.44 ? 73 GLY A CA 1 P41068 UNP 73 G +ATOM 571 C C . GLY A 1 73 ? -14.745 -2.694 24.897 1.00 87.44 ? 73 GLY A C 1 P41068 UNP 73 G +ATOM 572 O O . GLY A 1 73 ? -13.657 -2.133 25.002 1.00 87.44 ? 73 GLY A O 1 P41068 UNP 73 G +ATOM 573 N N . GLN A 1 74 ? -14.866 -3.950 24.457 1.00 91.31 ? 74 GLN A N 1 P41068 UNP 74 Q +ATOM 574 C CA . GLN A 1 74 ? -13.747 -4.773 23.991 1.00 91.31 ? 74 GLN A CA 1 P41068 UNP 74 Q +ATOM 575 C C . GLN A 1 74 ? -13.911 -5.148 22.515 1.00 91.31 ? 74 GLN A C 1 P41068 UNP 74 Q +ATOM 576 C CB . GLN A 1 74 ? -13.598 -6.019 24.877 1.00 91.31 ? 74 GLN A CB 1 P41068 UNP 74 Q +ATOM 577 O O . GLN A 1 74 ? -15.006 -5.083 21.953 1.00 91.31 ? 74 GLN A O 1 P41068 UNP 74 Q +ATOM 578 C CG . GLN A 1 74 ? -13.247 -5.642 26.326 1.00 91.31 ? 74 GLN A CG 1 P41068 UNP 74 Q +ATOM 579 C CD . GLN A 1 74 ? -13.075 -6.842 27.251 1.00 91.31 ? 74 GLN A CD 1 P41068 UNP 74 Q +ATOM 580 N NE2 . GLN A 1 74 ? -13.062 -6.637 28.548 1.00 91.31 ? 74 GLN A NE2 1 P41068 UNP 74 Q +ATOM 581 O OE1 . GLN A 1 74 ? -12.969 -7.986 26.860 1.00 91.31 ? 74 GLN A OE1 1 P41068 UNP 74 Q +ATOM 582 N N . PHE A 1 75 ? -12.804 -5.547 21.894 1.00 91.75 ? 75 PHE A N 1 P41068 UNP 75 F +ATOM 583 C CA . PHE A 1 75 ? -12.728 -5.904 20.482 1.00 91.75 ? 75 PHE A CA 1 P41068 UNP 75 F +ATOM 584 C C . PHE A 1 75 ? -12.164 -7.318 20.317 1.00 91.75 ? 75 PHE A C 1 P41068 UNP 75 F +ATOM 585 C CB . PHE A 1 75 ? -11.875 -4.878 19.733 1.00 91.75 ? 75 PHE A CB 1 P41068 UNP 75 F +ATOM 586 O O . PHE A 1 75 ? -11.232 -7.692 21.033 1.00 91.75 ? 75 PHE A O 1 P41068 UNP 75 F +ATOM 587 C CG . PHE A 1 75 ? -12.447 -3.477 19.771 1.00 91.75 ? 75 PHE A CG 1 P41068 UNP 75 F +ATOM 588 C CD1 . PHE A 1 75 ? -13.335 -3.052 18.766 1.00 91.75 ? 75 PHE A CD1 1 P41068 UNP 75 F +ATOM 589 C CD2 . PHE A 1 75 ? -12.125 -2.614 20.835 1.00 91.75 ? 75 PHE A CD2 1 P41068 UNP 75 F +ATOM 590 C CE1 . PHE A 1 75 ? -13.900 -1.766 18.824 1.00 91.75 ? 75 PHE A CE1 1 P41068 UNP 75 F +ATOM 591 C CE2 . PHE A 1 75 ? -12.703 -1.335 20.900 1.00 91.75 ? 75 PHE A CE2 1 P41068 UNP 75 F +ATOM 592 C CZ . PHE A 1 75 ? -13.585 -0.908 19.892 1.00 91.75 ? 75 PHE A CZ 1 P41068 UNP 75 F +ATOM 593 N N . PRO A 1 76 ? -12.708 -8.126 19.395 1.00 89.50 ? 76 PRO A N 1 P41068 UNP 76 P +ATOM 594 C CA . PRO A 1 76 ? -12.219 -9.475 19.165 1.00 89.50 ? 76 PRO A CA 1 P41068 UNP 76 P +ATOM 595 C C . PRO A 1 76 ? -10.910 -9.444 18.363 1.00 89.50 ? 76 PRO A C 1 P41068 UNP 76 P +ATOM 596 C CB . PRO A 1 76 ? -13.362 -10.173 18.425 1.00 89.50 ? 76 PRO A CB 1 P41068 UNP 76 P +ATOM 597 O O . PRO A 1 76 ? -10.874 -8.957 17.235 1.00 89.50 ? 76 PRO A O 1 P41068 UNP 76 P +ATOM 598 C CG . PRO A 1 76 ? -14.021 -9.048 17.628 1.00 89.50 ? 76 PRO A CG 1 P41068 UNP 76 P +ATOM 599 C CD . PRO A 1 76 ? -13.846 -7.832 18.534 1.00 89.50 ? 76 PRO A CD 1 P41068 UNP 76 P +ATOM 600 N N . VAL A 1 77 ? -9.843 -10.011 18.920 1.00 89.75 ? 77 VAL A N 1 P41068 UNP 77 V +ATOM 601 C CA . VAL A 1 77 ? -8.588 -10.304 18.213 1.00 89.75 ? 77 VAL A CA 1 P41068 UNP 77 V +ATOM 602 C C . VAL A 1 77 ? -8.559 -11.796 17.904 1.00 89.75 ? 77 VAL A C 1 P41068 UNP 77 V +ATOM 603 C CB . VAL A 1 77 ? -7.360 -9.872 19.036 1.00 89.75 ? 77 VAL A CB 1 P41068 UNP 77 V +ATOM 604 O O . VAL A 1 77 ? -8.757 -12.621 18.796 1.00 89.75 ? 77 VAL A O 1 P41068 UNP 77 V +ATOM 605 C CG1 . VAL A 1 77 ? -6.047 -10.212 18.319 1.00 89.75 ? 77 VAL A CG1 1 P41068 UNP 77 V +ATOM 606 C CG2 . VAL A 1 77 ? -7.367 -8.357 19.274 1.00 89.75 ? 77 VAL A CG2 1 P41068 UNP 77 V +ATOM 607 N N . SER A 1 78 ? -8.348 -12.154 16.639 1.00 84.44 ? 78 SER A N 1 P41068 UNP 78 S +ATOM 608 C CA . SER A 1 78 ? -8.258 -13.553 16.218 1.00 84.44 ? 78 SER A CA 1 P41068 UNP 78 S +ATOM 609 C C . SER A 1 78 ? -6.878 -14.134 16.517 1.00 84.44 ? 78 SER A C 1 P41068 UNP 78 S +ATOM 610 C CB . SER A 1 78 ? -8.560 -13.688 14.723 1.00 84.44 ? 78 SER A CB 1 P41068 UNP 78 S +ATOM 611 O O . SER A 1 78 ? -5.880 -13.674 15.963 1.00 84.44 ? 78 SER A O 1 P41068 UNP 78 S +ATOM 612 O OG . SER A 1 78 ? -7.685 -12.872 13.968 1.00 84.44 ? 78 SER A OG 1 P41068 UNP 78 S +ATOM 613 N N . GLU A 1 79 ? -6.835 -15.198 17.307 1.00 82.19 ? 79 GLU A N 1 P41068 UNP 79 E +ATOM 614 C CA . GLU A 1 79 ? -5.665 -16.047 17.508 1.00 82.19 ? 79 GLU A CA 1 P41068 UNP 79 E +ATOM 615 C C . GLU A 1 79 ? -5.891 -17.354 16.744 1.00 82.19 ? 79 GLU A C 1 P41068 UNP 79 E +ATOM 616 C CB . GLU A 1 79 ? -5.435 -16.293 19.006 1.00 82.19 ? 79 GLU A CB 1 P41068 UNP 79 E +ATOM 617 O O . GLU A 1 79 ? -6.622 -18.243 17.182 1.00 82.19 ? 79 GLU A O 1 P41068 UNP 79 E +ATOM 618 C CG . GLU A 1 79 ? -5.018 -15.013 19.752 1.00 82.19 ? 79 GLU A CG 1 P41068 UNP 79 E +ATOM 619 C CD . GLU A 1 79 ? -4.874 -15.224 21.269 1.00 82.19 ? 79 GLU A CD 1 P41068 UNP 79 E +ATOM 620 O OE1 . GLU A 1 79 ? -4.870 -14.205 22.001 1.00 82.19 ? 79 GLU A OE1 1 P41068 UNP 79 E +ATOM 621 O OE2 . GLU A 1 79 ? -4.776 -16.394 21.704 1.00 82.19 ? 79 GLU A OE2 1 P41068 UNP 79 E +ATOM 622 N N . CYS A 1 80 ? -5.294 -17.462 15.560 1.00 80.81 ? 80 CYS A N 1 P41068 UNP 80 C +ATOM 623 C CA . CYS A 1 80 ? -5.379 -18.671 14.748 1.00 80.81 ? 80 CYS A CA 1 P41068 UNP 80 C +ATOM 624 C C . CYS A 1 80 ? -4.122 -19.513 14.963 1.00 80.81 ? 80 CYS A C 1 P41068 UNP 80 C +ATOM 625 C CB . CYS A 1 80 ? -5.590 -18.295 13.281 1.00 80.81 ? 80 CYS A CB 1 P41068 UNP 80 C +ATOM 626 O O . CYS A 1 80 ? -3.018 -19.101 14.600 1.00 80.81 ? 80 CYS A O 1 P41068 UNP 80 C +ATOM 627 S SG . CYS A 1 80 ? -7.092 -17.335 12.923 1.00 80.81 ? 80 CYS A SG 1 P41068 UNP 80 C +ATOM 628 N N . TRP A 1 81 ? -4.288 -20.700 15.541 1.00 66.75 ? 81 TRP A N 1 P41068 UNP 81 W +ATOM 629 C CA . TRP A 1 81 ? -3.209 -21.673 15.646 1.00 66.75 ? 81 TRP A CA 1 P41068 UNP 81 W +ATOM 630 C C . TRP A 1 81 ? -3.244 -22.552 14.400 1.00 66.75 ? 81 TRP A C 1 P41068 UNP 81 W +ATOM 631 C CB . TRP A 1 81 ? -3.329 -22.472 16.949 1.00 66.75 ? 81 TRP A CB 1 P41068 UNP 81 W +ATOM 632 O O . TRP A 1 81 ? -4.135 -23.381 14.235 1.00 66.75 ? 81 TRP A O 1 P41068 UNP 81 W +ATOM 633 C CG . TRP A 1 81 ? -2.919 -21.737 18.194 1.00 66.75 ? 81 TRP A CG 1 P41068 UNP 81 W +ATOM 634 C CD1 . TRP A 1 81 ? -3.290 -20.481 18.543 1.00 66.75 ? 81 TRP A CD1 1 P41068 UNP 81 W +ATOM 635 C CD2 . TRP A 1 81 ? -2.084 -22.216 19.295 1.00 66.75 ? 81 TRP A CD2 1 P41068 UNP 81 W +ATOM 636 C CE2 . TRP A 1 81 ? -1.982 -21.178 20.271 1.00 66.75 ? 81 TRP A CE2 1 P41068 UNP 81 W +ATOM 637 C CE3 . TRP A 1 81 ? -1.422 -23.432 19.581 1.00 66.75 ? 81 TRP A CE3 1 P41068 UNP 81 W +ATOM 638 N NE1 . TRP A 1 81 ? -2.732 -20.143 19.759 1.00 66.75 ? 81 TRP A NE1 1 P41068 UNP 81 W +ATOM 639 C CH2 . TRP A 1 81 ? -0.614 -22.555 21.715 1.00 66.75 ? 81 TRP A CH2 1 P41068 UNP 81 W +ATOM 640 C CZ2 . TRP A 1 81 ? -1.260 -21.333 21.462 1.00 66.75 ? 81 TRP A CZ2 1 P41068 UNP 81 W +ATOM 641 C CZ3 . TRP A 1 81 ? -0.698 -23.601 20.777 1.00 66.75 ? 81 TRP A CZ3 1 P41068 UNP 81 W +ATOM 642 N N . PHE A 1 82 ? -2.265 -22.382 13.512 1.00 60.84 ? 82 PHE A N 1 P41068 UNP 82 F +ATOM 643 C CA . PHE A 1 82 ? -2.031 -23.363 12.457 1.00 60.84 ? 82 PHE A CA 1 P41068 UNP 82 F +ATOM 644 C C . PHE A 1 82 ? -1.464 -24.626 13.106 1.00 60.84 ? 82 PHE A C 1 P41068 UNP 82 F +ATOM 645 C CB . PHE A 1 82 ? -1.103 -22.797 11.371 1.00 60.84 ? 82 PHE A CB 1 P41068 UNP 82 F +ATOM 646 O O . PHE A 1 82 ? -0.250 -24.754 13.267 1.00 60.84 ? 82 PHE A O 1 P41068 UNP 82 F +ATOM 647 C CG . PHE A 1 82 ? -1.784 -21.836 10.418 1.00 60.84 ? 82 PHE A CG 1 P41068 UNP 82 F +ATOM 648 C CD1 . PHE A 1 82 ? -2.511 -22.335 9.320 1.00 60.84 ? 82 PHE A CD1 1 P41068 UNP 82 F +ATOM 649 C CD2 . PHE A 1 82 ? -1.703 -20.446 10.628 1.00 60.84 ? 82 PHE A CD2 1 P41068 UNP 82 F +ATOM 650 C CE1 . PHE A 1 82 ? -3.150 -21.450 8.433 1.00 60.84 ? 82 PHE A CE1 1 P41068 UNP 82 F +ATOM 651 C CE2 . PHE A 1 82 ? -2.340 -19.561 9.740 1.00 60.84 ? 82 PHE A CE2 1 P41068 UNP 82 F +ATOM 652 C CZ . PHE A 1 82 ? -3.063 -20.062 8.643 1.00 60.84 ? 82 PHE A CZ 1 P41068 UNP 82 F +ATOM 653 N N . SER A 1 83 ? -2.334 -25.557 13.502 1.00 50.09 ? 83 SER A N 1 P41068 UNP 83 S +ATOM 654 C CA . SER A 1 83 ? -1.881 -26.916 13.783 1.00 50.09 ? 83 SER A CA 1 P41068 UNP 83 S +ATOM 655 C C . SER A 1 83 ? -1.380 -27.498 12.464 1.00 50.09 ? 83 SER A C 1 P41068 UNP 83 S +ATOM 656 C CB . SER A 1 83 ? -2.984 -27.781 14.393 1.00 50.09 ? 83 SER A CB 1 P41068 UNP 83 S +ATOM 657 O O . SER A 1 83 ? -2.136 -27.621 11.501 1.00 50.09 ? 83 SER A O 1 P41068 UNP 83 S +ATOM 658 O OG . SER A 1 83 ? -2.369 -28.907 14.985 1.00 50.09 ? 83 SER A OG 1 P41068 UNP 83 S +ATOM 659 N N . SER A 1 84 ? -0.089 -27.802 12.380 1.00 50.28 ? 84 SER A N 1 P41068 UNP 84 S +ATOM 660 C CA . SER A 1 84 ? 0.578 -28.327 11.183 1.00 50.28 ? 84 SER A CA 1 P41068 UNP 84 S +ATOM 661 C C . SER A 1 84 ? 0.240 -29.800 10.899 1.00 50.28 ? 84 SER A C 1 P41068 UNP 84 S +ATOM 662 C CB . SER A 1 84 ? 2.088 -28.093 11.304 1.00 50.28 ? 84 SER A CB 1 P41068 UNP 84 S +ATOM 663 O O . SER A 1 84 ? 1.052 -30.533 10.337 1.00 50.28 ? 84 SER A O 1 P41068 UNP 84 S +ATOM 664 O OG . SER A 1 84 ? 2.576 -28.641 12.515 1.00 50.28 ? 84 SER A OG 1 P41068 UNP 84 S +ATOM 665 N N . SER A 1 85 ? -0.956 -30.251 11.275 1.00 44.31 ? 85 SER A N 1 P41068 UNP 85 S +ATOM 666 C CA . SER A 1 85 ? -1.389 -31.647 11.226 1.00 44.31 ? 85 SER A CA 1 P41068 UNP 85 S +ATOM 667 C C . SER A 1 85 ? -2.687 -31.744 10.430 1.00 44.31 ? 85 SER A C 1 P41068 UNP 85 S +ATOM 668 C CB . SER A 1 85 ? -1.565 -32.216 12.643 1.00 44.31 ? 85 SER A CB 1 P41068 UNP 85 S +ATOM 669 O O . SER A 1 85 ? -3.769 -31.658 10.991 1.00 44.31 ? 85 SER A O 1 P41068 UNP 85 S +ATOM 670 O OG . SER A 1 85 ? -0.524 -31.792 13.504 1.00 44.31 ? 85 SER A OG 1 P41068 UNP 85 S +ATOM 671 N N . ASP A 1 86 ? -2.554 -31.788 9.106 1.00 42.16 ? 86 ASP A N 1 P41068 UNP 86 D +ATOM 672 C CA . ASP A 1 86 ? -3.260 -32.715 8.210 1.00 42.16 ? 86 ASP A CA 1 P41068 UNP 86 D +ATOM 673 C C . ASP A 1 86 ? -3.435 -32.125 6.811 1.00 42.16 ? 86 ASP A C 1 P41068 UNP 86 D +ATOM 674 C CB . ASP A 1 86 ? -4.554 -33.363 8.749 1.00 42.16 ? 86 ASP A CB 1 P41068 UNP 86 D +ATOM 675 O O . ASP A 1 86 ? -4.248 -31.252 6.504 1.00 42.16 ? 86 ASP A O 1 P41068 UNP 86 D +ATOM 676 C CG . ASP A 1 86 ? -4.262 -34.509 9.738 1.00 42.16 ? 86 ASP A CG 1 P41068 UNP 86 D +ATOM 677 O OD1 . ASP A 1 86 ? -3.108 -35.008 9.734 1.00 42.16 ? 86 ASP A OD1 1 P41068 UNP 86 D +ATOM 678 O OD2 . ASP A 1 86 ? -5.203 -34.931 10.441 1.00 42.16 ? 86 ASP A OD2 1 P41068 UNP 86 D +ATOM 679 N N . SER A 1 87 ? -2.612 -32.671 5.924 1.00 44.78 ? 87 SER A N 1 P41068 UNP 87 S +ATOM 680 C CA . SER A 1 87 ? -2.675 -32.548 4.483 1.00 44.78 ? 87 SER A CA 1 P41068 UNP 87 S +ATOM 681 C C . SER A 1 87 ? -3.891 -33.306 3.945 1.00 44.78 ? 87 SER A C 1 P41068 UNP 87 S +ATOM 682 C CB . SER A 1 87 ? -1.370 -33.136 3.922 1.00 44.78 ? 87 SER A CB 1 P41068 UNP 87 S +ATOM 683 O O . SER A 1 87 ? -3.764 -34.447 3.510 1.00 44.78 ? 87 SER A O 1 P41068 UNP 87 S +ATOM 684 O OG . SER A 1 87 ? -1.175 -34.456 4.401 1.00 44.78 ? 87 SER A OG 1 P41068 UNP 87 S +ATOM 685 N N . SER A 1 88 ? -5.076 -32.700 3.931 1.00 44.50 ? 88 SER A N 1 P41068 UNP 88 S +ATOM 686 C CA . SER A 1 88 ? -6.134 -33.139 3.015 1.00 44.50 ? 88 SER A CA 1 P41068 UNP 88 S +ATOM 687 C C . SER A 1 88 ? -7.152 -32.032 2.740 1.00 44.50 ? 88 SER A C 1 P41068 UNP 88 S +ATOM 688 C CB . SER A 1 88 ? -6.816 -34.437 3.485 1.00 44.50 ? 88 SER A CB 1 P41068 UNP 88 S +ATOM 689 O O . SER A 1 88 ? -7.687 -31.409 3.642 1.00 44.50 ? 88 SER A O 1 P41068 UNP 88 S +ATOM 690 O OG . SER A 1 88 ? -7.511 -34.282 4.696 1.00 44.50 ? 88 SER A OG 1 P41068 UNP 88 S +ATOM 691 N N . GLY A 1 89 ? -7.387 -31.782 1.450 1.00 39.78 ? 89 GLY A N 1 P41068 UNP 89 G +ATOM 692 C CA . GLY A 1 89 ? -8.663 -31.298 0.924 1.00 39.78 ? 89 GLY A CA 1 P41068 UNP 89 G +ATOM 693 C C . GLY A 1 89 ? -9.218 -29.976 1.462 1.00 39.78 ? 89 GLY A C 1 P41068 UNP 89 G +ATOM 694 O O . GLY A 1 89 ? -10.040 -29.956 2.363 1.00 39.78 ? 89 GLY A O 1 P41068 UNP 89 G +ATOM 695 N N . ARG A 1 90 ? -8.883 -28.877 0.778 1.00 43.88 ? 90 ARG A N 1 P41068 UNP 90 R +ATOM 696 C CA . ARG A 1 90 ? -9.786 -27.759 0.429 1.00 43.88 ? 90 ARG A CA 1 P41068 UNP 90 R +ATOM 697 C C . ARG A 1 90 ? -11.210 -27.833 1.045 1.00 43.88 ? 90 ARG A C 1 P41068 UNP 90 R +ATOM 698 C CB . ARG A 1 90 ? -9.852 -27.765 -1.122 1.00 43.88 ? 90 ARG A CB 1 P41068 UNP 90 R +ATOM 699 O O . ARG A 1 90 ? -12.103 -28.342 0.380 1.00 43.88 ? 90 ARG A O 1 P41068 UNP 90 R +ATOM 700 C CG . ARG A 1 90 ? -10.709 -26.640 -1.733 1.00 43.88 ? 90 ARG A CG 1 P41068 UNP 90 R +ATOM 701 C CD . ARG A 1 90 ? -9.902 -25.657 -2.590 1.00 43.88 ? 90 ARG A CD 1 P41068 UNP 90 R +ATOM 702 N NE . ARG A 1 90 ? -9.680 -26.144 -3.969 1.00 43.88 ? 90 ARG A NE 1 P41068 UNP 90 R +ATOM 703 N NH1 . ARG A 1 90 ? -9.661 -24.084 -4.989 1.00 43.88 ? 90 ARG A NH1 1 P41068 UNP 90 R +ATOM 704 N NH2 . ARG A 1 90 ? -9.461 -25.921 -6.231 1.00 43.88 ? 90 ARG A NH2 1 P41068 UNP 90 R +ATOM 705 C CZ . ARG A 1 90 ? -9.601 -25.386 -5.051 1.00 43.88 ? 90 ARG A CZ 1 P41068 UNP 90 R +ATOM 706 N N . SER A 1 91 ? -11.440 -27.266 2.238 1.00 41.97 ? 91 SER A N 1 P41068 UNP 91 S +ATOM 707 C CA . SER A 1 91 ? -12.621 -26.415 2.553 1.00 41.97 ? 91 SER A CA 1 P41068 UNP 91 S +ATOM 708 C C . SER A 1 91 ? -12.815 -26.017 4.028 1.00 41.97 ? 91 SER A C 1 P41068 UNP 91 S +ATOM 709 C CB . SER A 1 91 ? -13.971 -26.941 2.030 1.00 41.97 ? 91 SER A CB 1 P41068 UNP 91 S +ATOM 710 O O . SER A 1 91 ? -13.611 -25.118 4.261 1.00 41.97 ? 91 SER A O 1 P41068 UNP 91 S +ATOM 711 O OG . SER A 1 91 ? -14.242 -28.246 2.469 1.00 41.97 ? 91 SER A OG 1 P41068 UNP 91 S +ATOM 712 N N . GLU A 1 92 ? -12.057 -26.521 5.006 1.00 40.69 ? 92 GLU A N 1 P41068 UNP 92 E +ATOM 713 C CA . GLU A 1 92 ? -12.191 -26.072 6.411 1.00 40.69 ? 92 GLU A CA 1 P41068 UNP 92 E +ATOM 714 C C . GLU A 1 92 ? -10.850 -25.625 7.014 1.00 40.69 ? 92 GLU A C 1 P41068 UNP 92 E +ATOM 715 C CB . GLU A 1 92 ? -12.921 -27.125 7.267 1.00 40.69 ? 92 GLU A CB 1 P41068 UNP 92 E +ATOM 716 O O . GLU A 1 92 ? -10.345 -26.185 7.979 1.00 40.69 ? 92 GLU A O 1 P41068 UNP 92 E +ATOM 717 C CG . GLU A 1 92 ? -14.443 -27.083 7.058 1.00 40.69 ? 92 GLU A CG 1 P41068 UNP 92 E +ATOM 718 C CD . GLU A 1 92 ? -15.190 -28.095 7.941 1.00 40.69 ? 92 GLU A CD 1 P41068 UNP 92 E +ATOM 719 O OE1 . GLU A 1 92 ? -16.359 -27.808 8.284 1.00 40.69 ? 92 GLU A OE1 1 P41068 UNP 92 E +ATOM 720 O OE2 . GLU A 1 92 ? -14.599 -29.155 8.244 1.00 40.69 ? 92 GLU A OE2 1 P41068 UNP 92 E +ATOM 721 N N . ILE A 1 93 ? -10.286 -24.521 6.511 1.00 49.69 ? 93 ILE A N 1 P41068 UNP 93 I +ATOM 722 C CA . ILE A 1 93 ? -9.312 -23.713 7.284 1.00 49.69 ? 93 ILE A CA 1 P41068 UNP 93 I +ATOM 723 C C . ILE A 1 93 ? -10.095 -22.841 8.289 1.00 49.69 ? 93 ILE A C 1 P41068 UNP 93 I +ATOM 724 C CB . ILE A 1 93 ? -8.320 -22.924 6.391 1.00 49.69 ? 93 ILE A CB 1 P41068 UNP 93 I +ATOM 725 O O . ILE A 1 93 ? -9.930 -21.629 8.375 1.00 49.69 ? 93 ILE A O 1 P41068 UNP 93 I +ATOM 726 C CG1 . ILE A 1 93 ? -7.740 -23.818 5.267 1.00 49.69 ? 93 ILE A CG1 1 P41068 UNP 93 I +ATOM 727 C CG2 . ILE A 1 93 ? -7.158 -22.357 7.238 1.00 49.69 ? 93 ILE A CG2 1 P41068 UNP 93 I +ATOM 728 C CD1 . ILE A 1 93 ? -6.753 -23.104 4.333 1.00 49.69 ? 93 ILE A CD1 1 P41068 UNP 93 I +ATOM 729 N N . GLN A 1 94 ? -11.028 -23.473 9.000 1.00 48.69 ? 94 GLN A N 1 P41068 UNP 94 Q +ATOM 730 C CA . GLN A 1 94 ? -11.745 -22.949 10.161 1.00 48.69 ? 94 GLN A CA 1 P41068 UNP 94 Q +ATOM 731 C C . GLN A 1 94 ? -11.356 -23.768 11.404 1.00 48.69 ? 94 GLN A C 1 P41068 UNP 94 Q +ATOM 732 C CB . GLN A 1 94 ? -13.256 -22.900 9.861 1.00 48.69 ? 94 GLN A CB 1 P41068 UNP 94 Q +ATOM 733 O O . GLN A 1 94 ? -12.088 -23.829 12.387 1.00 48.69 ? 94 GLN A O 1 P41068 UNP 94 Q +ATOM 734 C CG . GLN A 1 94 ? -14.030 -21.993 10.834 1.00 48.69 ? 94 GLN A CG 1 P41068 UNP 94 Q +ATOM 735 C CD . GLN A 1 94 ? -15.430 -21.632 10.347 1.00 48.69 ? 94 GLN A CD 1 P41068 UNP 94 Q +ATOM 736 N NE2 . GLN A 1 94 ? -16.095 -20.708 11.005 1.00 48.69 ? 94 GLN A NE2 1 P41068 UNP 94 Q +ATOM 737 O OE1 . GLN A 1 94 ? -15.956 -22.127 9.368 1.00 48.69 ? 94 GLN A OE1 1 P41068 UNP 94 Q +ATOM 738 N N . GLY A 1 95 ? -10.183 -24.414 11.360 1.00 51.06 ? 95 GLY A N 1 P41068 UNP 95 G +ATOM 739 C CA . GLY A 1 95 ? -9.550 -25.044 12.510 1.00 51.06 ? 95 GLY A CA 1 P41068 UNP 95 G +ATOM 740 C C . GLY A 1 95 ? -9.220 -23.993 13.568 1.00 51.06 ? 95 GLY A C 1 P41068 UNP 95 G +ATOM 741 O O . GLY A 1 95 ? -8.167 -23.371 13.520 1.00 51.06 ? 95 GLY A O 1 P41068 UNP 95 G +ATOM 742 N N . ILE A 1 96 ? -10.172 -23.773 14.477 1.00 66.38 ? 96 ILE A N 1 P41068 UNP 96 I +ATOM 743 C CA . ILE A 1 96 ? -10.059 -23.109 15.782 1.00 66.38 ? 96 ILE A CA 1 P41068 UNP 96 I +ATOM 744 C C . ILE A 1 96 ? -9.245 -21.802 15.746 1.00 66.38 ? 96 ILE A C 1 P41068 UNP 96 I +ATOM 745 C CB . ILE A 1 96 ? -9.591 -24.099 16.882 1.00 66.38 ? 96 ILE A CB 1 P41068 UNP 96 I +ATOM 746 O O . ILE A 1 96 ? -8.222 -21.656 16.411 1.00 66.38 ? 96 ILE A O 1 P41068 UNP 96 I +ATOM 747 C CG1 . ILE A 1 96 ? -10.223 -25.509 16.738 1.00 66.38 ? 96 ILE A CG1 1 P41068 UNP 96 I +ATOM 748 C CG2 . ILE A 1 96 ? -9.939 -23.520 18.272 1.00 66.38 ? 96 ILE A CG2 1 P41068 UNP 96 I +ATOM 749 C CD1 . ILE A 1 96 ? -9.642 -26.554 17.698 1.00 66.38 ? 96 ILE A CD1 1 P41068 UNP 96 I +ATOM 750 N N . CYS A 1 97 ? -9.723 -20.805 15.001 1.00 76.62 ? 97 CYS A N 1 P41068 UNP 97 C +ATOM 751 C CA . CYS A 1 97 ? -9.380 -19.430 15.357 1.00 76.62 ? 97 CYS A CA 1 P41068 UNP 97 C +ATOM 752 C C . CYS A 1 97 ? -10.168 -19.078 16.621 1.00 76.62 ? 97 CYS A C 1 P41068 UNP 97 C +ATOM 753 C CB . CYS A 1 97 ? -9.671 -18.473 14.201 1.00 76.62 ? 97 CYS A CB 1 P41068 UNP 97 C +ATOM 754 O O . CYS A 1 97 ? -11.398 -19.003 16.587 1.00 76.62 ? 97 CYS A O 1 P41068 UNP 97 C +ATOM 755 S SG . CYS A 1 97 ? -8.618 -18.687 12.737 1.00 76.62 ? 97 CYS A SG 1 P41068 UNP 97 C +ATOM 756 N N . HIS A 1 98 ? -9.469 -18.905 17.741 1.00 82.38 ? 98 HIS A N 1 P41068 UNP 98 H +ATOM 757 C CA . HIS A 1 98 ? -10.085 -18.437 18.974 1.00 82.38 ? 98 HIS A CA 1 P41068 UNP 98 H +ATOM 758 C C . HIS A 1 98 ? -10.084 -16.909 18.976 1.00 82.38 ? 98 HIS A C 1 P41068 UNP 98 H +ATOM 759 C CB . HIS A 1 98 ? -9.377 -19.040 20.193 1.00 82.38 ? 98 HIS A CB 1 P41068 UNP 98 H +ATOM 760 O O . HIS A 1 98 ? -9.111 -16.279 18.565 1.00 82.38 ? 98 HIS A O 1 P41068 UNP 98 H +ATOM 761 C CG . HIS A 1 98 ? -10.145 -18.807 21.470 1.00 82.38 ? 98 HIS A CG 1 P41068 UNP 98 H +ATOM 762 C CD2 . HIS A 1 98 ? -11.069 -19.645 22.035 1.00 82.38 ? 98 HIS A CD2 1 P41068 UNP 98 H +ATOM 763 N ND1 . HIS A 1 98 ? -10.094 -17.677 22.252 1.00 82.38 ? 98 HIS A ND1 1 P41068 UNP 98 H +ATOM 764 C CE1 . HIS A 1 98 ? -10.978 -17.822 23.253 1.00 82.38 ? 98 HIS A CE1 1 P41068 UNP 98 H +ATOM 765 N NE2 . HIS A 1 98 ? -11.594 -19.011 23.166 1.00 82.38 ? 98 HIS A NE2 1 P41068 UNP 98 H +ATOM 766 N N . TYR A 1 99 ? -11.171 -16.298 19.437 1.00 86.00 ? 99 TYR A N 1 P41068 UNP 99 Y +ATOM 767 C CA . TYR A 1 99 ? -11.237 -14.849 19.585 1.00 86.00 ? 99 TYR A CA 1 P41068 UNP 99 Y +ATOM 768 C C . TYR A 1 99 ? -10.954 -14.478 21.031 1.00 86.00 ? 99 TYR A C 1 P41068 UNP 99 Y +ATOM 769 C CB . TYR A 1 99 ? -12.571 -14.308 19.073 1.00 86.00 ? 99 TYR A CB 1 P41068 UNP 99 Y +ATOM 770 O O . TYR A 1 99 ? -11.664 -14.895 21.947 1.00 86.00 ? 99 TYR A O 1 P41068 UNP 99 Y +ATOM 771 C CG . TYR A 1 99 ? -12.714 -14.459 17.572 1.00 86.00 ? 99 TYR A CG 1 P41068 UNP 99 Y +ATOM 772 C CD1 . TYR A 1 99 ? -12.094 -13.531 16.712 1.00 86.00 ? 99 TYR A CD1 1 P41068 UNP 99 Y +ATOM 773 C CD2 . TYR A 1 99 ? -13.433 -15.544 17.036 1.00 86.00 ? 99 TYR A CD2 1 P41068 UNP 99 Y +ATOM 774 C CE1 . TYR A 1 99 ? -12.212 -13.675 15.317 1.00 86.00 ? 99 TYR A CE1 1 P41068 UNP 99 Y +ATOM 775 C CE2 . TYR A 1 99 ? -13.547 -15.695 15.642 1.00 86.00 ? 99 TYR A CE2 1 P41068 UNP 99 Y +ATOM 776 O OH . TYR A 1 99 ? -13.088 -14.882 13.435 1.00 86.00 ? 99 TYR A OH 1 P41068 UNP 99 Y +ATOM 777 C CZ . TYR A 1 99 ? -12.941 -14.759 14.780 1.00 86.00 ? 99 TYR A CZ 1 P41068 UNP 99 Y +ATOM 778 N N . ARG A 1 100 ? -9.901 -13.694 21.242 1.00 87.75 ? 100 ARG A N 1 P41068 UNP 100 R +ATOM 779 C CA . ARG A 1 100 ? -9.609 -13.074 22.532 1.00 87.75 ? 100 ARG A CA 1 P41068 UNP 100 R +ATOM 780 C C . ARG A 1 100 ? -10.225 -11.682 22.547 1.00 87.75 ? 100 ARG A C 1 P41068 UNP 100 R +ATOM 781 C CB . ARG A 1 100 ? -8.090 -13.066 22.752 1.00 87.75 ? 100 ARG A CB 1 P41068 UNP 100 R +ATOM 782 O O . ARG A 1 100 ? -10.057 -10.920 21.600 1.00 87.75 ? 100 ARG A O 1 P41068 UNP 100 R +ATOM 783 C CG . ARG A 1 100 ? -7.717 -12.448 24.104 1.00 87.75 ? 100 ARG A CG 1 P41068 UNP 100 R +ATOM 784 C CD . ARG A 1 100 ? -6.211 -12.562 24.351 1.00 87.75 ? 100 ARG A CD 1 P41068 UNP 100 R +ATOM 785 N NE . ARG A 1 100 ? -5.846 -11.937 25.640 1.00 87.75 ? 100 ARG A NE 1 P41068 UNP 100 R +ATOM 786 N NH1 . ARG A 1 100 ? -4.522 -10.236 24.837 1.00 87.75 ? 100 ARG A NH1 1 P41068 UNP 100 R +ATOM 787 N NH2 . ARG A 1 100 ? -4.951 -10.359 27.015 1.00 87.75 ? 100 ARG A NH2 1 P41068 UNP 100 R +ATOM 788 C CZ . ARG A 1 100 ? -5.108 -10.856 25.820 1.00 87.75 ? 100 ARG A CZ 1 P41068 UNP 100 R +ATOM 789 N N . ALA A 1 101 ? -10.923 -11.337 23.621 1.00 89.56 ? 101 ALA A N 1 P41068 UNP 101 A +ATOM 790 C CA . ALA A 1 101 ? -11.407 -9.981 23.808 1.00 89.56 ? 101 ALA A CA 1 P41068 UNP 101 A +ATOM 791 C C . ALA A 1 101 ? -10.252 -9.093 24.308 1.00 89.56 ? 101 ALA A C 1 P41068 UNP 101 A +ATOM 792 C CB . ALA A 1 101 ? -12.628 -10.030 24.723 1.00 89.56 ? 101 ALA A CB 1 P41068 UNP 101 A +ATOM 793 O O . ALA A 1 101 ? -9.654 -9.364 25.352 1.00 89.56 ? 101 ALA A O 1 P41068 UNP 101 A +ATOM 794 N N . ALA A 1 102 ? -9.896 -8.084 23.517 1.00 90.94 ? 102 ALA A N 1 P41068 UNP 102 A +ATOM 795 C CA . ALA A 1 102 ? -8.824 -7.134 23.790 1.00 90.94 ? 102 ALA A CA 1 P41068 UNP 102 A +ATOM 796 C C . ALA A 1 102 ? -9.396 -5.731 24.015 1.00 90.94 ? 102 ALA A C 1 P41068 UNP 102 A +ATOM 797 C CB . ALA A 1 102 ? -7.825 -7.166 22.629 1.00 90.94 ? 102 ALA A CB 1 P41068 UNP 102 A +ATOM 798 O O . ALA A 1 102 ? -10.499 -5.411 23.561 1.00 90.94 ? 102 ALA A O 1 P41068 UNP 102 A +ATOM 799 N N . ASP A 1 103 ? -8.645 -4.882 24.714 1.00 92.81 ? 103 ASP A N 1 P41068 UNP 103 D +ATOM 800 C CA . ASP A 1 103 ? -8.987 -3.467 24.793 1.00 92.81 ? 103 ASP A CA 1 P41068 UNP 103 D +ATOM 801 C C . ASP A 1 103 ? -8.723 -2.755 23.451 1.00 92.81 ? 103 ASP A C 1 P41068 UNP 103 D +ATOM 802 C CB . ASP A 1 103 ? -8.318 -2.814 26.018 1.00 92.81 ? 103 ASP A CB 1 P41068 UNP 103 D +ATOM 803 O O . ASP A 1 103 ? -8.166 -3.318 22.503 1.00 92.81 ? 103 ASP A O 1 P41068 UNP 103 D +ATOM 804 C CG . ASP A 1 103 ? -6.810 -2.566 25.913 1.00 92.81 ? 103 ASP A CG 1 P41068 UNP 103 D +ATOM 805 O OD1 . ASP A 1 103 ? -6.321 -2.412 24.777 1.00 92.81 ? 103 ASP A OD1 1 P41068 UNP 103 D +ATOM 806 O OD2 . ASP A 1 103 ? -6.187 -2.390 26.977 1.00 92.81 ? 103 ASP A OD2 1 P41068 UNP 103 D +ATOM 807 N N . ALA A 1 104 ? -9.152 -1.497 23.353 1.00 92.44 ? 104 ALA A N 1 P41068 UNP 104 A +ATOM 808 C CA . ALA A 1 104 ? -8.988 -0.718 22.131 1.00 92.44 ? 104 ALA A CA 1 P41068 UNP 104 A +ATOM 809 C C . ALA A 1 104 ? -7.511 -0.497 21.750 1.00 92.44 ? 104 ALA A C 1 P41068 UNP 104 A +ATOM 810 C CB . ALA A 1 104 ? -9.704 0.624 22.325 1.00 92.44 ? 104 ALA A CB 1 P41068 UNP 104 A +ATOM 811 O O . ALA A 1 104 ? -7.186 -0.466 20.565 1.00 92.44 ? 104 ALA A O 1 P41068 UNP 104 A +ATOM 812 N N . ALA A 1 105 ? -6.617 -0.328 22.728 1.00 93.94 ? 105 ALA A N 1 P41068 UNP 105 A +ATOM 813 C CA . ALA A 1 105 ? -5.214 -0.015 22.468 1.00 93.94 ? 105 ALA A CA 1 P41068 UNP 105 A +ATOM 814 C C . ALA A 1 105 ? -4.449 -1.246 21.958 1.00 93.94 ? 105 ALA A C 1 P41068 UNP 105 A +ATOM 815 C CB . ALA A 1 105 ? -4.599 0.551 23.753 1.00 93.94 ? 105 ALA A CB 1 P41068 UNP 105 A +ATOM 816 O O . ALA A 1 105 ? -3.665 -1.141 21.010 1.00 93.94 ? 105 ALA A O 1 P41068 UNP 105 A +ATOM 817 N N . ASP A 1 106 ? -4.712 -2.406 22.551 1.00 92.88 ? 106 ASP A N 1 P41068 UNP 106 D +ATOM 818 C CA . ASP A 1 106 ? -4.171 -3.697 22.144 1.00 92.88 ? 106 ASP A CA 1 P41068 UNP 106 D +ATOM 819 C C . ASP A 1 106 ? -4.716 -4.110 20.773 1.00 92.88 ? 106 ASP A C 1 P41068 UNP 106 D +ATOM 820 C CB . ASP A 1 106 ? -4.507 -4.754 23.210 1.00 92.88 ? 106 ASP A CB 1 P41068 UNP 106 D +ATOM 821 O O . ASP A 1 106 ? -3.939 -4.518 19.907 1.00 92.88 ? 106 ASP A O 1 P41068 UNP 106 D +ATOM 822 C CG . ASP A 1 106 ? -3.615 -4.707 24.461 1.00 92.88 ? 106 ASP A CG 1 P41068 UNP 106 D +ATOM 823 O OD1 . ASP A 1 106 ? -2.561 -4.019 24.432 1.00 92.88 ? 106 ASP A OD1 1 P41068 UNP 106 D +ATOM 824 O OD2 . ASP A 1 106 ? -3.922 -5.495 25.388 1.00 92.88 ? 106 ASP A OD2 1 P41068 UNP 106 D +ATOM 825 N N . TYR A 1 107 ? -6.019 -3.924 20.529 1.00 90.69 ? 107 TYR A N 1 P41068 UNP 107 Y +ATOM 826 C CA . TYR A 1 107 ? -6.624 -4.201 19.223 1.00 90.69 ? 107 TYR A CA 1 P41068 UNP 107 Y +ATOM 827 C C . TYR A 1 107 ? -5.992 -3.360 18.107 1.00 90.69 ? 107 TYR A C 1 P41068 UNP 107 Y +ATOM 828 C CB . TYR A 1 107 ? -8.136 -3.962 19.288 1.00 90.69 ? 107 TYR A CB 1 P41068 UNP 107 Y +ATOM 829 O O . TYR A 1 107 ? -5.620 -3.901 17.063 1.00 90.69 ? 107 TYR A O 1 P41068 UNP 107 Y +ATOM 830 C CG . TYR A 1 107 ? -8.836 -4.218 17.965 1.00 90.69 ? 107 TYR A CG 1 P41068 UNP 107 Y +ATOM 831 C CD1 . TYR A 1 107 ? -9.073 -3.158 17.068 1.00 90.69 ? 107 TYR A CD1 1 P41068 UNP 107 Y +ATOM 832 C CD2 . TYR A 1 107 ? -9.217 -5.528 17.617 1.00 90.69 ? 107 TYR A CD2 1 P41068 UNP 107 Y +ATOM 833 C CE1 . TYR A 1 107 ? -9.686 -3.410 15.826 1.00 90.69 ? 107 TYR A CE1 1 P41068 UNP 107 Y +ATOM 834 C CE2 . TYR A 1 107 ? -9.832 -5.784 16.377 1.00 90.69 ? 107 TYR A CE2 1 P41068 UNP 107 Y +ATOM 835 O OH . TYR A 1 107 ? -10.682 -4.951 14.288 1.00 90.69 ? 107 TYR A OH 1 P41068 UNP 107 Y +ATOM 836 C CZ . TYR A 1 107 ? -10.066 -4.723 15.477 1.00 90.69 ? 107 TYR A CZ 1 P41068 UNP 107 Y +ATOM 837 N N . VAL A 1 108 ? -5.824 -2.049 18.325 1.00 93.38 ? 108 VAL A N 1 P41068 UNP 108 V +ATOM 838 C CA . VAL A 1 108 ? -5.187 -1.153 17.345 1.00 93.38 ? 108 VAL A CA 1 P41068 UNP 108 V +ATOM 839 C C . VAL A 1 108 ? -3.744 -1.570 17.092 1.00 93.38 ? 108 VAL A C 1 P41068 UNP 108 V +ATOM 840 C CB . VAL A 1 108 ? -5.262 0.318 17.798 1.00 93.38 ? 108 VAL A CB 1 P41068 UNP 108 V +ATOM 841 O O . VAL A 1 108 ? -3.339 -1.676 15.939 1.00 93.38 ? 108 VAL A O 1 P41068 UNP 108 V +ATOM 842 C CG1 . VAL A 1 108 ? -4.388 1.258 16.955 1.00 93.38 ? 108 VAL A CG1 1 P41068 UNP 108 V +ATOM 843 C CG2 . VAL A 1 108 ? -6.703 0.830 17.680 1.00 93.38 ? 108 VAL A CG2 1 P41068 UNP 108 V +ATOM 844 N N . ARG A 1 109 ? -2.974 -1.875 18.140 1.00 93.62 ? 109 ARG A N 1 P41068 UNP 109 R +ATOM 845 C CA . ARG A 1 109 ? -1.570 -2.276 17.988 1.00 93.62 ? 109 ARG A CA 1 P41068 UNP 109 R +ATOM 846 C C . ARG A 1 109 ? -1.415 -3.559 17.172 1.00 93.62 ? 109 ARG A C 1 P41068 UNP 109 R +ATOM 847 C CB . ARG A 1 109 ? -0.956 -2.422 19.382 1.00 93.62 ? 109 ARG A CB 1 P41068 UNP 109 R +ATOM 848 O O . ARG A 1 109 ? -0.544 -3.619 16.302 1.00 93.62 ? 109 ARG A O 1 P41068 UNP 109 R +ATOM 849 C CG . ARG A 1 109 ? 0.554 -2.699 19.316 1.00 93.62 ? 109 ARG A CG 1 P41068 UNP 109 R +ATOM 850 C CD . ARG A 1 109 ? 1.125 -2.943 20.713 1.00 93.62 ? 109 ARG A CD 1 P41068 UNP 109 R +ATOM 851 N NE . ARG A 1 109 ? 0.926 -1.778 21.594 1.00 93.62 ? 109 ARG A NE 1 P41068 UNP 109 R +ATOM 852 N NH1 . ARG A 1 109 ? 1.446 -2.817 23.569 1.00 93.62 ? 109 ARG A NH1 1 P41068 UNP 109 R +ATOM 853 N NH2 . ARG A 1 109 ? 0.676 -0.725 23.592 1.00 93.62 ? 109 ARG A NH2 1 P41068 UNP 109 R +ATOM 854 C CZ . ARG A 1 109 ? 1.024 -1.777 22.909 1.00 93.62 ? 109 ARG A CZ 1 P41068 UNP 109 R +ATOM 855 N N . GLU A 1 110 ? -2.232 -4.572 17.449 1.00 91.31 ? 110 GLU A N 1 P41068 UNP 110 E +ATOM 856 C CA . GLU A 1 110 ? -2.173 -5.852 16.734 1.00 91.31 ? 110 GLU A CA 1 P41068 UNP 110 E +ATOM 857 C C . GLU A 1 110 ? -2.663 -5.706 15.285 1.00 91.31 ? 110 GLU A C 1 P41068 UNP 110 E +ATOM 858 C CB . GLU A 1 110 ? -2.985 -6.903 17.513 1.00 91.31 ? 110 GLU A CB 1 P41068 UNP 110 E +ATOM 859 O O . GLU A 1 110 ? -2.062 -6.243 14.347 1.00 91.31 ? 110 GLU A O 1 P41068 UNP 110 E +ATOM 860 C CG . GLU A 1 110 ? -2.681 -8.343 17.065 1.00 91.31 ? 110 GLU A CG 1 P41068 UNP 110 E +ATOM 861 C CD . GLU A 1 110 ? -1.196 -8.726 17.223 1.00 91.31 ? 110 GLU A CD 1 P41068 UNP 110 E +ATOM 862 O OE1 . GLU A 1 110 ? -0.696 -9.503 16.379 1.00 91.31 ? 110 GLU A OE1 1 P41068 UNP 110 E +ATOM 863 O OE2 . GLU A 1 110 ? -0.526 -8.192 18.139 1.00 91.31 ? 110 GLU A OE2 1 P41068 UNP 110 E +ATOM 864 N N . THR A 1 111 ? -3.705 -4.898 15.078 1.00 90.00 ? 111 THR A N 1 P41068 UNP 111 T +ATOM 865 C CA . THR A 1 111 ? -4.227 -4.579 13.743 1.00 90.00 ? 111 THR A CA 1 P41068 UNP 111 T +ATOM 866 C C . THR A 1 111 ? -3.202 -3.804 12.919 1.00 90.00 ? 111 THR A C 1 P41068 UNP 111 T +ATOM 867 C CB . THR A 1 111 ? -5.542 -3.797 13.827 1.00 90.00 ? 111 THR A CB 1 P41068 UNP 111 T +ATOM 868 O O . THR A 1 111 ? -2.915 -4.190 11.791 1.00 90.00 ? 111 THR A O 1 P41068 UNP 111 T +ATOM 869 C CG2 . THR A 1 111 ? -6.157 -3.558 12.448 1.00 90.00 ? 111 THR A CG2 1 P41068 UNP 111 T +ATOM 870 O OG1 . THR A 1 111 ? -6.486 -4.541 14.559 1.00 90.00 ? 111 THR A OG1 1 P41068 UNP 111 T +ATOM 871 N N . ASP A 1 112 ? -2.579 -2.767 13.476 1.00 93.56 ? 112 ASP A N 1 P41068 UNP 112 D +ATOM 872 C CA . ASP A 1 112 ? -1.565 -1.973 12.777 1.00 93.56 ? 112 ASP A CA 1 P41068 UNP 112 D +ATOM 873 C C . ASP A 1 112 ? -0.343 -2.820 12.425 1.00 93.56 ? 112 ASP A C 1 P41068 UNP 112 D +ATOM 874 C CB . ASP A 1 112 ? -1.123 -0.784 13.646 1.00 93.56 ? 112 ASP A CB 1 P41068 UNP 112 D +ATOM 875 O O . ASP A 1 112 ? 0.178 -2.736 11.311 1.00 93.56 ? 112 ASP A O 1 P41068 UNP 112 D +ATOM 876 C CG . ASP A 1 112 ? -2.087 0.405 13.625 1.00 93.56 ? 112 ASP A CG 1 P41068 UNP 112 D +ATOM 877 O OD1 . ASP A 1 112 ? -3.013 0.415 12.781 1.00 93.56 ? 112 ASP A OD1 1 P41068 UNP 112 D +ATOM 878 O OD2 . ASP A 1 112 ? -1.826 1.345 14.409 1.00 93.56 ? 112 ASP A OD2 1 P41068 UNP 112 D +ATOM 879 N N . ARG A 1 113 ? 0.105 -3.679 13.347 1.00 92.94 ? 113 ARG A N 1 P41068 UNP 113 R +ATOM 880 C CA . ARG A 1 113 ? 1.236 -4.579 13.106 1.00 92.94 ? 113 ARG A CA 1 P41068 UNP 113 R +ATOM 881 C C . ARG A 1 113 ? 0.939 -5.558 11.974 1.00 92.94 ? 113 ARG A C 1 P41068 UNP 113 R +ATOM 882 C CB . ARG A 1 113 ? 1.580 -5.304 14.412 1.00 92.94 ? 113 ARG A CB 1 P41068 UNP 113 R +ATOM 883 O O . ARG A 1 113 ? 1.742 -5.676 11.044 1.00 92.94 ? 113 ARG A O 1 P41068 UNP 113 R +ATOM 884 C CG . ARG A 1 113 ? 2.779 -6.237 14.223 1.00 92.94 ? 113 ARG A CG 1 P41068 UNP 113 R +ATOM 885 C CD . ARG A 1 113 ? 3.110 -6.944 15.534 1.00 92.94 ? 113 ARG A CD 1 P41068 UNP 113 R +ATOM 886 N NE . ARG A 1 113 ? 4.254 -7.854 15.339 1.00 92.94 ? 113 ARG A NE 1 P41068 UNP 113 R +ATOM 887 N NH1 . ARG A 1 113 ? 5.373 -7.398 17.287 1.00 92.94 ? 113 ARG A NH1 1 P41068 UNP 113 R +ATOM 888 N NH2 . ARG A 1 113 ? 6.214 -8.882 15.844 1.00 92.94 ? 113 ARG A NH2 1 P41068 UNP 113 R +ATOM 889 C CZ . ARG A 1 113 ? 5.271 -8.036 16.154 1.00 92.94 ? 113 ARG A CZ 1 P41068 UNP 113 R +ATOM 890 N N . SER A 1 114 ? -0.191 -6.256 12.052 1.00 90.81 ? 114 SER A N 1 P41068 UNP 114 S +ATOM 891 C CA . SER A 1 114 ? -0.591 -7.244 11.047 1.00 90.81 ? 114 SER A CA 1 P41068 UNP 114 S +ATOM 892 C C . SER A 1 114 ? -0.845 -6.591 9.686 1.00 90.81 ? 114 SER A C 1 P41068 UNP 114 S +ATOM 893 C CB . SER A 1 114 ? -1.819 -8.029 11.523 1.00 90.81 ? 114 SER A CB 1 P41068 UNP 114 S +ATOM 894 O O . SER A 1 114 ? -0.335 -7.069 8.669 1.00 90.81 ? 114 SER A O 1 P41068 UNP 114 S +ATOM 895 O OG . SER A 1 114 ? -2.904 -7.170 11.789 1.00 90.81 ? 114 SER A OG 1 P41068 UNP 114 S +ATOM 896 N N . LEU A 1 115 ? -1.536 -5.450 9.660 1.00 91.19 ? 115 LEU A N 1 P41068 UNP 115 L +ATOM 897 C CA . LEU A 1 115 ? -1.801 -4.686 8.446 1.00 91.19 ? 115 LEU A CA 1 P41068 UNP 115 L +ATOM 898 C C . LEU A 1 115 ? -0.502 -4.185 7.815 1.00 91.19 ? 115 LEU A C 1 P41068 UNP 115 L +ATOM 899 C CB . LEU A 1 115 ? -2.738 -3.514 8.783 1.00 91.19 ? 115 LEU A CB 1 P41068 UNP 115 L +ATOM 900 O O . LEU A 1 115 ? -0.301 -4.364 6.615 1.00 91.19 ? 115 LEU A O 1 P41068 UNP 115 L +ATOM 901 C CG . LEU A 1 115 ? -3.220 -2.737 7.548 1.00 91.19 ? 115 LEU A CG 1 P41068 UNP 115 L +ATOM 902 C CD1 . LEU A 1 115 ? -4.236 -3.549 6.740 1.00 91.19 ? 115 LEU A CD1 1 P41068 UNP 115 L +ATOM 903 C CD2 . LEU A 1 115 ? -3.877 -1.426 7.974 1.00 91.19 ? 115 LEU A CD2 1 P41068 UNP 115 L +ATOM 904 N N . MET A 1 116 ? 0.405 -3.608 8.605 1.00 93.25 ? 116 MET A N 1 P41068 UNP 116 M +ATOM 905 C CA . MET A 1 116 ? 1.694 -3.130 8.108 1.00 93.25 ? 116 MET A CA 1 P41068 UNP 116 M +ATOM 906 C C . MET A 1 116 ? 2.514 -4.279 7.521 1.00 93.25 ? 116 MET A C 1 P41068 UNP 116 M +ATOM 907 C CB . MET A 1 116 ? 2.454 -2.424 9.241 1.00 93.25 ? 116 MET A CB 1 P41068 UNP 116 M +ATOM 908 O O . MET A 1 116 ? 3.085 -4.145 6.438 1.00 93.25 ? 116 MET A O 1 P41068 UNP 116 M +ATOM 909 C CG . MET A 1 116 ? 3.782 -1.815 8.781 1.00 93.25 ? 116 MET A CG 1 P41068 UNP 116 M +ATOM 910 S SD . MET A 1 116 ? 3.617 -0.573 7.467 1.00 93.25 ? 116 MET A SD 1 P41068 UNP 116 M +ATOM 911 C CE . MET A 1 116 ? 5.325 0.018 7.387 1.00 93.25 ? 116 MET A CE 1 P41068 UNP 116 M +ATOM 912 N N . GLN A 1 117 ? 2.543 -5.433 8.186 1.00 93.94 ? 117 GLN A N 1 P41068 UNP 117 Q +ATOM 913 C CA . GLN A 1 117 ? 3.248 -6.610 7.684 1.00 93.94 ? 117 GLN A CA 1 P41068 UNP 117 Q +ATOM 914 C C . GLN A 1 117 ? 2.647 -7.118 6.366 1.00 93.94 ? 117 GLN A C 1 P41068 UNP 117 Q +ATOM 915 C CB . GLN A 1 117 ? 3.241 -7.686 8.773 1.00 93.94 ? 117 GLN A CB 1 P41068 UNP 117 Q +ATOM 916 O O . GLN A 1 117 ? 3.385 -7.381 5.416 1.00 93.94 ? 117 GLN A O 1 P41068 UNP 117 Q +ATOM 917 C CG . GLN A 1 117 ? 4.036 -8.926 8.344 1.00 93.94 ? 117 GLN A CG 1 P41068 UNP 117 Q +ATOM 918 C CD . GLN A 1 117 ? 4.169 -9.953 9.461 1.00 93.94 ? 117 GLN A CD 1 P41068 UNP 117 Q +ATOM 919 N NE2 . GLN A 1 117 ? 4.515 -11.179 9.135 1.00 93.94 ? 117 GLN A NE2 1 P41068 UNP 117 Q +ATOM 920 O OE1 . GLN A 1 117 ? 3.996 -9.689 10.638 1.00 93.94 ? 117 GLN A OE1 1 P41068 UNP 117 Q +ATOM 921 N N . LEU A 1 118 ? 1.320 -7.217 6.275 1.00 91.81 ? 118 LEU A N 1 P41068 UNP 118 L +ATOM 922 C CA . LEU A 1 118 ? 0.639 -7.657 5.056 1.00 91.81 ? 118 LEU A CA 1 P41068 UNP 118 L +ATOM 923 C C . LEU A 1 118 ? 0.852 -6.670 3.907 1.00 91.81 ? 118 LEU A C 1 P41068 UNP 118 L +ATOM 924 C CB . LEU A 1 118 ? -0.859 -7.838 5.346 1.00 91.81 ? 118 LEU A CB 1 P41068 UNP 118 L +ATOM 925 O O . LEU A 1 118 ? 1.231 -7.075 2.810 1.00 91.81 ? 118 LEU A O 1 P41068 UNP 118 L +ATOM 926 C CG . LEU A 1 118 ? -1.190 -9.087 6.183 1.00 91.81 ? 118 LEU A CG 1 P41068 UNP 118 L +ATOM 927 C CD1 . LEU A 1 118 ? -2.658 -9.035 6.601 1.00 91.81 ? 118 LEU A CD1 1 P41068 UNP 118 L +ATOM 928 C CD2 . LEU A 1 118 ? -0.961 -10.379 5.392 1.00 91.81 ? 118 LEU A CD2 1 P41068 UNP 118 L +ATOM 929 N N . VAL A 1 119 ? 0.662 -5.374 4.154 1.00 92.44 ? 119 VAL A N 1 P41068 UNP 119 V +ATOM 930 C CA . VAL A 1 119 ? 0.836 -4.324 3.144 1.00 92.44 ? 119 VAL A CA 1 P41068 UNP 119 V +ATOM 931 C C . VAL A 1 119 ? 2.280 -4.268 2.657 1.00 92.44 ? 119 VAL A C 1 P41068 UNP 119 V +ATOM 932 C CB . VAL A 1 119 ? 0.380 -2.958 3.692 1.00 92.44 ? 119 VAL A CB 1 P41068 UNP 119 V +ATOM 933 O O . VAL A 1 119 ? 2.507 -4.212 1.450 1.00 92.44 ? 119 VAL A O 1 P41068 UNP 119 V +ATOM 934 C CG1 . VAL A 1 119 ? 0.757 -1.794 2.762 1.00 92.44 ? 119 VAL A CG1 1 P41068 UNP 119 V +ATOM 935 C CG2 . VAL A 1 119 ? -1.147 -2.932 3.847 1.00 92.44 ? 119 VAL A CG2 1 P41068 UNP 119 V +ATOM 936 N N . THR A 1 120 ? 3.264 -4.325 3.556 1.00 92.44 ? 120 THR A N 1 P41068 UNP 120 T +ATOM 937 C CA . THR A 1 120 ? 4.682 -4.312 3.163 1.00 92.44 ? 120 THR A CA 1 P41068 UNP 120 T +ATOM 938 C C . THR A 1 120 ? 5.084 -5.578 2.411 1.00 92.44 ? 120 THR A C 1 P41068 UNP 120 T +ATOM 939 C CB . THR A 1 120 ? 5.632 -4.104 4.348 1.00 92.44 ? 120 THR A CB 1 P41068 UNP 120 T +ATOM 940 O O . THR A 1 120 ? 5.808 -5.475 1.421 1.00 92.44 ? 120 THR A O 1 P41068 UNP 120 T +ATOM 941 C CG2 . THR A 1 120 ? 5.525 -2.702 4.945 1.00 92.44 ? 120 THR A CG2 1 P41068 UNP 120 T +ATOM 942 O OG1 . THR A 1 120 ? 5.392 -5.034 5.369 1.00 92.44 ? 120 THR A OG1 1 P41068 UNP 120 T +ATOM 943 N N . ALA A 1 121 ? 4.583 -6.754 2.802 1.00 93.75 ? 121 ALA A N 1 P41068 UNP 121 A +ATOM 944 C CA . ALA A 1 121 ? 4.822 -8.004 2.079 1.00 93.75 ? 121 ALA A CA 1 P41068 UNP 121 A +ATOM 945 C C . ALA A 1 121 ? 4.187 -7.993 0.677 1.00 93.75 ? 121 ALA A C 1 P41068 UNP 121 A +ATOM 946 C CB . ALA A 1 121 ? 4.298 -9.169 2.927 1.00 93.75 ? 121 ALA A CB 1 P41068 UNP 121 A +ATOM 947 O O . ALA A 1 121 ? 4.844 -8.331 -0.313 1.00 93.75 ? 121 ALA A O 1 P41068 UNP 121 A +ATOM 948 N N . LEU A 1 122 ? 2.931 -7.551 0.564 1.00 92.62 ? 122 LEU A N 1 P41068 UNP 122 L +ATOM 949 C CA . LEU A 1 122 ? 2.251 -7.381 -0.724 1.00 92.62 ? 122 LEU A CA 1 P41068 UNP 122 L +ATOM 950 C C . LEU A 1 122 ? 2.978 -6.361 -1.606 1.00 92.62 ? 122 LEU A C 1 P41068 UNP 122 L +ATOM 951 C CB . LEU A 1 122 ? 0.793 -6.947 -0.495 1.00 92.62 ? 122 LEU A CB 1 P41068 UNP 122 L +ATOM 952 O O . LEU A 1 122 ? 3.216 -6.611 -2.786 1.00 92.62 ? 122 LEU A O 1 P41068 UNP 122 L +ATOM 953 C CG . LEU A 1 122 ? -0.131 -8.054 0.042 1.00 92.62 ? 122 LEU A CG 1 P41068 UNP 122 L +ATOM 954 C CD1 . LEU A 1 122 ? -1.500 -7.451 0.361 1.00 92.62 ? 122 LEU A CD1 1 P41068 UNP 122 L +ATOM 955 C CD2 . LEU A 1 122 ? -0.329 -9.185 -0.970 1.00 92.62 ? 122 LEU A CD2 1 P41068 UNP 122 L +ATOM 956 N N . TRP A 1 123 ? 3.408 -5.238 -1.036 1.00 93.44 ? 123 TRP A N 1 P41068 UNP 123 W +ATOM 957 C CA . TRP A 1 123 ? 4.178 -4.242 -1.770 1.00 93.44 ? 123 TRP A CA 1 P41068 UNP 123 W +ATOM 958 C C . TRP A 1 123 ? 5.527 -4.795 -2.246 1.00 93.44 ? 123 TRP A C 1 P41068 UNP 123 W +ATOM 959 C CB . TRP A 1 123 ? 4.363 -2.995 -0.906 1.00 93.44 ? 123 TRP A CB 1 P41068 UNP 123 W +ATOM 960 O O . TRP A 1 123 ? 5.873 -4.623 -3.414 1.00 93.44 ? 123 TRP A O 1 P41068 UNP 123 W +ATOM 961 C CG . TRP A 1 123 ? 5.176 -1.938 -1.576 1.00 93.44 ? 123 TRP A CG 1 P41068 UNP 123 W +ATOM 962 C CD1 . TRP A 1 123 ? 4.703 -1.010 -2.438 1.00 93.44 ? 123 TRP A CD1 1 P41068 UNP 123 W +ATOM 963 C CD2 . TRP A 1 123 ? 6.620 -1.737 -1.514 1.00 93.44 ? 123 TRP A CD2 1 P41068 UNP 123 W +ATOM 964 C CE2 . TRP A 1 123 ? 6.955 -0.643 -2.364 1.00 93.44 ? 123 TRP A CE2 1 P41068 UNP 123 W +ATOM 965 C CE3 . TRP A 1 123 ? 7.681 -2.373 -0.832 1.00 93.44 ? 123 TRP A CE3 1 P41068 UNP 123 W +ATOM 966 N NE1 . TRP A 1 123 ? 5.752 -0.244 -2.908 1.00 93.44 ? 123 TRP A NE1 1 P41068 UNP 123 W +ATOM 967 C CH2 . TRP A 1 123 ? 9.306 -0.844 -1.828 1.00 93.44 ? 123 TRP A CH2 1 P41068 UNP 123 W +ATOM 968 C CZ2 . TRP A 1 123 ? 8.272 -0.189 -2.517 1.00 93.44 ? 123 TRP A CZ2 1 P41068 UNP 123 W +ATOM 969 C CZ3 . TRP A 1 123 ? 9.010 -1.935 -0.991 1.00 93.44 ? 123 TRP A CZ3 1 P41068 UNP 123 W +ATOM 970 N N . ALA A 1 124 ? 6.271 -5.497 -1.386 1.00 93.56 ? 124 ALA A N 1 P41068 UNP 124 A +ATOM 971 C CA . ALA A 1 124 ? 7.575 -6.062 -1.730 1.00 93.56 ? 124 ALA A CA 1 P41068 UNP 124 A +ATOM 972 C C . ALA A 1 124 ? 7.467 -7.111 -2.846 1.00 93.56 ? 124 ALA A C 1 P41068 UNP 124 A +ATOM 973 C CB . ALA A 1 124 ? 8.204 -6.657 -0.464 1.00 93.56 ? 124 ALA A CB 1 P41068 UNP 124 A +ATOM 974 O O . ALA A 1 124 ? 8.262 -7.098 -3.788 1.00 93.56 ? 124 ALA A O 1 P41068 UNP 124 A +ATOM 975 N N . THR A 1 125 ? 6.459 -7.984 -2.782 1.00 93.62 ? 125 THR A N 1 P41068 UNP 125 T +ATOM 976 C CA . THR A 1 125 ? 6.205 -8.981 -3.833 1.00 93.62 ? 125 THR A CA 1 P41068 UNP 125 T +ATOM 977 C C . THR A 1 125 ? 5.832 -8.316 -5.158 1.00 93.62 ? 125 THR A C 1 P41068 UNP 125 T +ATOM 978 C CB . THR A 1 125 ? 5.132 -10.001 -3.427 1.00 93.62 ? 125 THR A CB 1 P41068 UNP 125 T +ATOM 979 O O . THR A 1 125 ? 6.424 -8.648 -6.186 1.00 93.62 ? 125 THR A O 1 P41068 UNP 125 T +ATOM 980 C CG2 . THR A 1 125 ? 5.593 -10.910 -2.290 1.00 93.62 ? 125 THR A CG2 1 P41068 UNP 125 T +ATOM 981 O OG1 . THR A 1 125 ? 3.956 -9.372 -3.000 1.00 93.62 ? 125 THR A OG1 1 P41068 UNP 125 T +ATOM 982 N N . LEU A 1 126 ? 4.942 -7.318 -5.154 1.00 92.88 ? 126 LEU A N 1 P41068 UNP 126 L +ATOM 983 C CA . LEU A 1 126 ? 4.606 -6.544 -6.355 1.00 92.88 ? 126 LEU A CA 1 P41068 UNP 126 L +ATOM 984 C C . LEU A 1 126 ? 5.823 -5.801 -6.920 1.00 92.88 ? 126 LEU A C 1 P41068 UNP 126 L +ATOM 985 C CB . LEU A 1 126 ? 3.474 -5.554 -6.034 1.00 92.88 ? 126 LEU A CB 1 P41068 UNP 126 L +ATOM 986 O O . LEU A 1 126 ? 6.062 -5.847 -8.127 1.00 92.88 ? 126 LEU A O 1 P41068 UNP 126 L +ATOM 987 C CG . LEU A 1 126 ? 2.091 -6.205 -5.857 1.00 92.88 ? 126 LEU A CG 1 P41068 UNP 126 L +ATOM 988 C CD1 . LEU A 1 126 ? 1.115 -5.161 -5.318 1.00 92.88 ? 126 LEU A CD1 1 P41068 UNP 126 L +ATOM 989 C CD2 . LEU A 1 126 ? 1.540 -6.742 -7.182 1.00 92.88 ? 126 LEU A CD2 1 P41068 UNP 126 L +ATOM 990 N N . ALA A 1 127 ? 6.621 -5.152 -6.072 1.00 92.00 ? 127 ALA A N 1 P41068 UNP 127 A +ATOM 991 C CA . ALA A 1 127 ? 7.833 -4.452 -6.486 1.00 92.00 ? 127 ALA A CA 1 P41068 UNP 127 A +ATOM 992 C C . ALA A 1 127 ? 8.832 -5.408 -7.161 1.00 92.00 ? 127 ALA A C 1 P41068 UNP 127 A +ATOM 993 C CB . ALA A 1 127 ? 8.438 -3.741 -5.267 1.00 92.00 ? 127 ALA A CB 1 P41068 UNP 127 A +ATOM 994 O O . ALA A 1 127 ? 9.333 -5.106 -8.247 1.00 92.00 ? 127 ALA A O 1 P41068 UNP 127 A +ATOM 995 N N . LEU A 1 128 ? 9.071 -6.587 -6.579 1.00 91.62 ? 128 LEU A N 1 P41068 UNP 128 L +ATOM 996 C CA . LEU A 1 128 ? 9.927 -7.620 -7.175 1.00 91.62 ? 128 LEU A CA 1 P41068 UNP 128 L +ATOM 997 C C . LEU A 1 128 ? 9.380 -8.133 -8.512 1.00 91.62 ? 128 LEU A C 1 P41068 UNP 128 L +ATOM 998 C CB . LEU A 1 128 ? 10.084 -8.790 -6.190 1.00 91.62 ? 128 LEU A CB 1 P41068 UNP 128 L +ATOM 999 O O . LEU A 1 128 ? 10.143 -8.283 -9.473 1.00 91.62 ? 128 LEU A O 1 P41068 UNP 128 L +ATOM 1000 C CG . LEU A 1 128 ? 11.013 -8.506 -4.998 1.00 91.62 ? 128 LEU A CG 1 P41068 UNP 128 L +ATOM 1001 C CD1 . LEU A 1 128 ? 10.948 -9.679 -4.020 1.00 91.62 ? 128 LEU A CD1 1 P41068 UNP 128 L +ATOM 1002 C CD2 . LEU A 1 128 ? 12.470 -8.333 -5.438 1.00 91.62 ? 128 LEU A CD2 1 P41068 UNP 128 L +ATOM 1003 N N . MET A 1 129 ? 8.068 -8.356 -8.600 1.00 92.31 ? 129 MET A N 1 P41068 UNP 129 M +ATOM 1004 C CA . MET A 1 129 ? 7.409 -8.767 -9.841 1.00 92.31 ? 129 MET A CA 1 P41068 UNP 129 M +ATOM 1005 C C . MET A 1 129 ? 7.572 -7.712 -10.943 1.00 92.31 ? 129 MET A C 1 P41068 UNP 129 M +ATOM 1006 C CB . MET A 1 129 ? 5.924 -9.062 -9.568 1.00 92.31 ? 129 MET A CB 1 P41068 UNP 129 M +ATOM 1007 O O . MET A 1 129 ? 7.952 -8.045 -12.067 1.00 92.31 ? 129 MET A O 1 P41068 UNP 129 M +ATOM 1008 C CG . MET A 1 129 ? 5.722 -10.380 -8.810 1.00 92.31 ? 129 MET A CG 1 P41068 UNP 129 M +ATOM 1009 S SD . MET A 1 129 ? 6.230 -11.877 -9.700 1.00 92.31 ? 129 MET A SD 1 P41068 UNP 129 M +ATOM 1010 C CE . MET A 1 129 ? 4.996 -11.912 -11.026 1.00 92.31 ? 129 MET A CE 1 P41068 UNP 129 M +ATOM 1011 N N . TYR A 1 130 ? 7.364 -6.428 -10.634 1.00 91.06 ? 130 TYR A N 1 P41068 UNP 130 Y +ATOM 1012 C CA . TYR A 1 130 ? 7.487 -5.345 -11.614 1.00 91.06 ? 130 TYR A CA 1 P41068 UNP 130 Y +ATOM 1013 C C . TYR A 1 130 ? 8.925 -5.074 -12.053 1.00 91.06 ? 130 TYR A C 1 P41068 UNP 130 Y +ATOM 1014 C CB . TYR A 1 130 ? 6.836 -4.065 -11.078 1.00 91.06 ? 130 TYR A CB 1 P41068 UNP 130 Y +ATOM 1015 O O . TYR A 1 130 ? 9.156 -4.817 -13.237 1.00 91.06 ? 130 TYR A O 1 P41068 UNP 130 Y +ATOM 1016 C CG . TYR A 1 130 ? 5.335 -4.067 -11.249 1.00 91.06 ? 130 TYR A CG 1 P41068 UNP 130 Y +ATOM 1017 C CD1 . TYR A 1 130 ? 4.798 -4.169 -12.545 1.00 91.06 ? 130 TYR A CD1 1 P41068 UNP 130 Y +ATOM 1018 C CD2 . TYR A 1 130 ? 4.480 -4.010 -10.134 1.00 91.06 ? 130 TYR A CD2 1 P41068 UNP 130 Y +ATOM 1019 C CE1 . TYR A 1 130 ? 3.411 -4.255 -12.724 1.00 91.06 ? 130 TYR A CE1 1 P41068 UNP 130 Y +ATOM 1020 C CE2 . TYR A 1 130 ? 3.086 -4.067 -10.305 1.00 91.06 ? 130 TYR A CE2 1 P41068 UNP 130 Y +ATOM 1021 O OH . TYR A 1 130 ? 1.236 -4.322 -11.813 1.00 91.06 ? 130 TYR A OH 1 P41068 UNP 130 Y +ATOM 1022 C CZ . TYR A 1 130 ? 2.562 -4.207 -11.605 1.00 91.06 ? 130 TYR A CZ 1 P41068 UNP 130 Y +ATOM 1023 N N . VAL A 1 131 ? 9.895 -5.168 -11.143 1.00 87.81 ? 131 VAL A N 1 P41068 UNP 131 V +ATOM 1024 C CA . VAL A 1 131 ? 11.322 -5.074 -11.487 1.00 87.81 ? 131 VAL A CA 1 P41068 UNP 131 V +ATOM 1025 C C . VAL A 1 131 ? 11.736 -6.236 -12.391 1.00 87.81 ? 131 VAL A C 1 P41068 UNP 131 V +ATOM 1026 C CB . VAL A 1 131 ? 12.184 -5.013 -10.214 1.00 87.81 ? 131 VAL A CB 1 P41068 UNP 131 V +ATOM 1027 O O . VAL A 1 131 ? 12.394 -6.005 -13.407 1.00 87.81 ? 131 VAL A O 1 P41068 UNP 131 V +ATOM 1028 C CG1 . VAL A 1 131 ? 13.684 -5.145 -10.509 1.00 87.81 ? 131 VAL A CG1 1 P41068 UNP 131 V +ATOM 1029 C CG2 . VAL A 1 131 ? 11.987 -3.666 -9.508 1.00 87.81 ? 131 VAL A CG2 1 P41068 UNP 131 V +ATOM 1030 N N . SER A 1 132 ? 11.298 -7.460 -12.083 1.00 86.31 ? 132 SER A N 1 P41068 UNP 132 S +ATOM 1031 C CA . SER A 1 132 ? 11.546 -8.643 -12.921 1.00 86.31 ? 132 SER A CA 1 P41068 UNP 132 S +ATOM 1032 C C . SER A 1 132 ? 10.953 -8.474 -14.324 1.00 86.31 ? 132 SER A C 1 P41068 UNP 132 S +ATOM 1033 C CB . SER A 1 132 ? 10.968 -9.898 -12.259 1.00 86.31 ? 132 SER A CB 1 P41068 UNP 132 S +ATOM 1034 O O . SER A 1 132 ? 11.649 -8.665 -15.323 1.00 86.31 ? 132 SER A O 1 P41068 UNP 132 S +ATOM 1035 O OG . SER A 1 132 ? 11.588 -10.120 -11.009 1.00 86.31 ? 132 SER A OG 1 P41068 UNP 132 S +ATOM 1036 N N . LEU A 1 133 ? 9.700 -8.017 -14.424 1.00 85.06 ? 133 LEU A N 1 P41068 UNP 133 L +ATOM 1037 C CA . LEU A 1 133 ? 9.052 -7.714 -15.706 1.00 85.06 ? 133 LEU A CA 1 P41068 UNP 133 L +ATOM 1038 C C . LEU A 1 133 ? 9.798 -6.624 -16.492 1.00 85.06 ? 133 LEU A C 1 P41068 UNP 133 L +ATOM 1039 C CB . LEU A 1 133 ? 7.598 -7.280 -15.438 1.00 85.06 ? 133 LEU A CB 1 P41068 UNP 133 L +ATOM 1040 O O . LEU A 1 133 ? 9.959 -6.725 -17.712 1.00 85.06 ? 133 LEU A O 1 P41068 UNP 133 L +ATOM 1041 C CG . LEU A 1 133 ? 6.640 -8.440 -15.113 1.00 85.06 ? 133 LEU A CG 1 P41068 UNP 133 L +ATOM 1042 C CD1 . LEU A 1 133 ? 5.346 -7.891 -14.510 1.00 85.06 ? 133 LEU A CD1 1 P41068 UNP 133 L +ATOM 1043 C CD2 . LEU A 1 133 ? 6.280 -9.223 -16.379 1.00 85.06 ? 133 LEU A CD2 1 P41068 UNP 133 L +ATOM 1044 N N . ALA A 1 134 ? 10.283 -5.580 -15.819 1.00 83.50 ? 134 ALA A N 1 P41068 UNP 134 A +ATOM 1045 C CA . ALA A 1 134 ? 11.040 -4.506 -16.459 1.00 83.50 ? 134 ALA A CA 1 P41068 UNP 134 A +ATOM 1046 C C . ALA A 1 134 ? 12.418 -4.974 -16.960 1.00 83.50 ? 134 ALA A C 1 P41068 UNP 134 A +ATOM 1047 C CB . ALA A 1 134 ? 11.150 -3.344 -15.471 1.00 83.50 ? 134 ALA A CB 1 P41068 UNP 134 A +ATOM 1048 O O . ALA A 1 134 ? 12.869 -4.528 -18.020 1.00 83.50 ? 134 ALA A O 1 P41068 UNP 134 A +ATOM 1049 N N . ALA A 1 135 ? 13.065 -5.885 -16.230 1.00 79.50 ? 135 ALA A N 1 P41068 UNP 135 A +ATOM 1050 C CA . ALA A 1 135 ? 14.321 -6.506 -16.637 1.00 79.50 ? 135 ALA A CA 1 P41068 UNP 135 A +ATOM 1051 C C . ALA A 1 135 ? 14.134 -7.396 -17.878 1.00 79.50 ? 135 ALA A C 1 P41068 UNP 135 A +ATOM 1052 C CB . ALA A 1 135 ? 14.895 -7.279 -15.444 1.00 79.50 ? 135 ALA A CB 1 P41068 UNP 135 A +ATOM 1053 O O . ALA A 1 135 ? 14.876 -7.242 -18.849 1.00 79.50 ? 135 ALA A O 1 P41068 UNP 135 A +ATOM 1054 N N . ILE A 1 136 ? 13.104 -8.250 -17.887 1.00 79.56 ? 136 ILE A N 1 P41068 UNP 136 I +ATOM 1055 C CA . ILE A 1 136 ? 12.802 -9.158 -19.009 1.00 79.56 ? 136 ILE A CA 1 P41068 UNP 136 I +ATOM 1056 C C . ILE A 1 136 ? 12.395 -8.380 -20.267 1.00 79.56 ? 136 ILE A C 1 P41068 UNP 136 I +ATOM 1057 C CB . ILE A 1 136 ? 11.714 -10.178 -18.592 1.00 79.56 ? 136 ILE A CB 1 P41068 UNP 136 I +ATOM 1058 O O . ILE A 1 136 ? 12.848 -8.692 -21.363 1.00 79.56 ? 136 ILE A O 1 P41068 UNP 136 I +ATOM 1059 C CG1 . ILE A 1 136 ? 12.246 -11.114 -17.481 1.00 79.56 ? 136 ILE A CG1 1 P41068 UNP 136 I +ATOM 1060 C CG2 . ILE A 1 136 ? 11.247 -11.023 -19.795 1.00 79.56 ? 136 ILE A CG2 1 P41068 UNP 136 I +ATOM 1061 C CD1 . ILE A 1 136 ? 11.144 -11.903 -16.764 1.00 79.56 ? 136 ILE A CD1 1 P41068 UNP 136 I +ATOM 1062 N N . THR A 1 137 ? 11.589 -7.322 -20.129 1.00 78.88 ? 137 THR A N 1 P41068 UNP 137 T +ATOM 1063 C CA . THR A 1 137 ? 11.148 -6.497 -21.275 1.00 78.88 ? 137 THR A CA 1 P41068 UNP 137 T +ATOM 1064 C C . THR A 1 137 ? 12.238 -5.582 -21.844 1.00 78.88 ? 137 THR A C 1 P41068 UNP 137 T +ATOM 1065 C CB . THR A 1 137 ? 9.883 -5.682 -20.955 1.00 78.88 ? 137 THR A CB 1 P41068 UNP 137 T +ATOM 1066 O O . THR A 1 137 ? 11.963 -4.785 -22.740 1.00 78.88 ? 137 THR A O 1 P41068 UNP 137 T +ATOM 1067 C CG2 . THR A 1 137 ? 8.662 -6.575 -20.740 1.00 78.88 ? 137 THR A CG2 1 P41068 UNP 137 T +ATOM 1068 O OG1 . THR A 1 137 ? 10.035 -4.894 -19.795 1.00 78.88 ? 137 THR A OG1 1 P41068 UNP 137 T +ATOM 1069 N N . GLY A 1 138 ? 13.471 -5.646 -21.327 1.00 68.38 ? 138 GLY A N 1 P41068 UNP 138 G +ATOM 1070 C CA . GLY A 1 138 ? 14.582 -4.822 -21.804 1.00 68.38 ? 138 GLY A CA 1 P41068 UNP 138 G +ATOM 1071 C C . GLY A 1 138 ? 14.443 -3.335 -21.466 1.00 68.38 ? 138 GLY A C 1 P41068 UNP 138 G +ATOM 1072 O O . GLY A 1 138 ? 15.192 -2.509 -21.984 1.00 68.38 ? 138 GLY A O 1 P41068 UNP 138 G +ATOM 1073 N N . LYS A 1 139 ? 13.501 -2.965 -20.588 1.00 65.19 ? 139 LYS A N 1 P41068 UNP 139 K +ATOM 1074 C CA . LYS A 1 139 ? 13.195 -1.568 -20.249 1.00 65.19 ? 139 LYS A CA 1 P41068 UNP 139 K +ATOM 1075 C C . LYS A 1 139 ? 14.140 -0.972 -19.209 1.00 65.19 ? 139 LYS A C 1 P41068 UNP 139 K +ATOM 1076 C CB . LYS A 1 139 ? 11.716 -1.425 -19.839 1.00 65.19 ? 139 LYS A CB 1 P41068 UNP 139 K +ATOM 1077 O O . LYS A 1 139 ? 13.799 0.055 -18.640 1.00 65.19 ? 139 LYS A O 1 P41068 UNP 139 K +ATOM 1078 C CG . LYS A 1 139 ? 10.778 -1.562 -21.042 1.00 65.19 ? 139 LYS A CG 1 P41068 UNP 139 K +ATOM 1079 C CD . LYS A 1 139 ? 9.329 -1.307 -20.617 1.00 65.19 ? 139 LYS A CD 1 P41068 UNP 139 K +ATOM 1080 C CE . LYS A 1 139 ? 8.401 -1.501 -21.818 1.00 65.19 ? 139 LYS A CE 1 P41068 UNP 139 K +ATOM 1081 N NZ . LYS A 1 139 ? 6.982 -1.621 -21.399 1.00 65.19 ? 139 LYS A NZ 1 P41068 UNP 139 K +ATOM 1082 N N . TYR A 1 140 ? 15.289 -1.573 -18.921 1.00 62.41 ? 140 TYR A N 1 P41068 UNP 140 Y +ATOM 1083 C CA . TYR A 1 140 ? 16.273 -1.025 -17.984 1.00 62.41 ? 140 TYR A CA 1 P41068 UNP 140 Y +ATOM 1084 C C . TYR A 1 140 ? 17.080 0.119 -18.630 1.00 62.41 ? 140 TYR A C 1 P41068 UNP 140 Y +ATOM 1085 C CB . TYR A 1 140 ? 17.153 -2.165 -17.446 1.00 62.41 ? 140 TYR A CB 1 P41068 UNP 140 Y +ATOM 1086 O O . TYR A 1 140 ? 17.178 0.189 -19.857 1.00 62.41 ? 140 TYR A O 1 P41068 UNP 140 Y +ATOM 1087 C CG . TYR A 1 140 ? 17.899 -2.964 -18.498 1.00 62.41 ? 140 TYR A CG 1 P41068 UNP 140 Y +ATOM 1088 C CD1 . TYR A 1 140 ? 17.258 -4.041 -19.143 1.00 62.41 ? 140 TYR A CD1 1 P41068 UNP 140 Y +ATOM 1089 C CD2 . TYR A 1 140 ? 19.245 -2.667 -18.791 1.00 62.41 ? 140 TYR A CD2 1 P41068 UNP 140 Y +ATOM 1090 C CE1 . TYR A 1 140 ? 17.949 -4.791 -20.111 1.00 62.41 ? 140 TYR A CE1 1 P41068 UNP 140 Y +ATOM 1091 C CE2 . TYR A 1 140 ? 19.946 -3.439 -19.739 1.00 62.41 ? 140 TYR A CE2 1 P41068 UNP 140 Y +ATOM 1092 O OH . TYR A 1 140 ? 19.937 -5.216 -21.364 1.00 62.41 ? 140 TYR A OH 1 P41068 UNP 140 Y +ATOM 1093 C CZ . TYR A 1 140 ? 19.286 -4.485 -20.423 1.00 62.41 ? 140 TYR A CZ 1 P41068 UNP 140 Y +ATOM 1094 N N . PRO A 1 141 ? 17.684 1.039 -17.850 1.00 57.84 ? 141 PRO A N 1 P41068 UNP 141 P +ATOM 1095 C CA . PRO A 1 141 ? 18.597 2.045 -18.391 1.00 57.84 ? 141 PRO A CA 1 P41068 UNP 141 P +ATOM 1096 C C . PRO A 1 141 ? 19.876 1.361 -18.907 1.00 57.84 ? 141 PRO A C 1 P41068 UNP 141 P +ATOM 1097 C CB . PRO A 1 141 ? 18.833 3.033 -17.238 1.00 57.84 ? 141 PRO A CB 1 P41068 UNP 141 P +ATOM 1098 O O . PRO A 1 141 ? 20.889 1.279 -18.209 1.00 57.84 ? 141 PRO A O 1 P41068 UNP 141 P +ATOM 1099 C CG . PRO A 1 141 ? 18.664 2.157 -15.996 1.00 57.84 ? 141 PRO A CG 1 P41068 UNP 141 P +ATOM 1100 C CD . PRO A 1 141 ? 17.560 1.186 -16.406 1.00 57.84 ? 141 PRO A CD 1 P41068 UNP 141 P +ATOM 1101 N N . VAL A 1 142 ? 19.834 0.825 -20.127 1.00 57.88 ? 142 VAL A N 1 P41068 UNP 142 V +ATOM 1102 C CA . VAL A 1 142 ? 20.971 0.143 -20.753 1.00 57.88 ? 142 VAL A CA 1 P41068 UNP 142 V +ATOM 1103 C C . VAL A 1 142 ? 22.147 1.125 -20.866 1.00 57.88 ? 142 VAL A C 1 P41068 UNP 142 V +ATOM 1104 C CB . VAL A 1 142 ? 20.620 -0.455 -22.141 1.00 57.88 ? 142 VAL A CB 1 P41068 UNP 142 V +ATOM 1105 O O . VAL A 1 142 ? 21.987 2.285 -21.257 1.00 57.88 ? 142 VAL A O 1 P41068 UNP 142 V +ATOM 1106 C CG1 . VAL A 1 142 ? 21.554 -1.617 -22.516 1.00 57.88 ? 142 VAL A CG1 1 P41068 UNP 142 V +ATOM 1107 C CG2 . VAL A 1 142 ? 19.190 -1.002 -22.251 1.00 57.88 ? 142 VAL A CG2 1 P41068 UNP 142 V +ATOM 1108 N N . ARG A 1 143 ? 23.366 0.653 -20.560 1.00 48.22 ? 143 ARG A N 1 P41068 UNP 143 R +ATOM 1109 C CA . ARG A 1 143 ? 24.594 1.225 -21.145 1.00 48.22 ? 143 ARG A CA 1 P41068 UNP 143 R +ATOM 1110 C C . ARG A 1 143 ? 24.356 1.251 -22.659 1.00 48.22 ? 143 ARG A C 1 P41068 UNP 143 R +ATOM 1111 C CB . ARG A 1 143 ? 25.805 0.310 -20.844 1.00 48.22 ? 143 ARG A CB 1 P41068 UNP 143 R +ATOM 1112 O O . ARG A 1 143 ? 23.963 0.202 -23.158 1.00 48.22 ? 143 ARG A O 1 P41068 UNP 143 R +ATOM 1113 C CG . ARG A 1 143 ? 26.260 0.338 -19.378 1.00 48.22 ? 143 ARG A CG 1 P41068 UNP 143 R +ATOM 1114 C CD . ARG A 1 143 ? 27.370 -0.684 -19.074 1.00 48.22 ? 143 ARG A CD 1 P41068 UNP 143 R +ATOM 1115 N NE . ARG A 1 143 ? 27.665 -0.775 -17.623 1.00 48.22 ? 143 ARG A NE 1 P41068 UNP 143 R +ATOM 1116 N NH1 . ARG A 1 143 ? 29.743 -1.765 -17.772 1.00 48.22 ? 143 ARG A NH1 1 P41068 UNP 143 R +ATOM 1117 N NH2 . ARG A 1 143 ? 28.894 -1.315 -15.769 1.00 48.22 ? 143 ARG A NH2 1 P41068 UNP 143 R +ATOM 1118 C CZ . ARG A 1 143 ? 28.761 -1.279 -17.066 1.00 48.22 ? 143 ARG A CZ 1 P41068 UNP 143 R +ATOM 1119 N N . PRO A 1 144 ? 24.573 2.343 -23.414 1.00 47.91 ? 144 PRO A N 1 P41068 UNP 144 P +ATOM 1120 C CA . PRO A 1 144 ? 24.627 2.190 -24.861 1.00 47.91 ? 144 PRO A CA 1 P41068 UNP 144 P +ATOM 1121 C C . PRO A 1 144 ? 25.711 1.140 -25.118 1.00 47.91 ? 144 PRO A C 1 P41068 UNP 144 P +ATOM 1122 C CB . PRO A 1 144 ? 24.943 3.577 -25.428 1.00 47.91 ? 144 PRO A CB 1 P41068 UNP 144 P +ATOM 1123 O O . PRO A 1 144 ? 26.886 1.370 -24.816 1.00 47.91 ? 144 PRO A O 1 P41068 UNP 144 P +ATOM 1124 C CG . PRO A 1 144 ? 25.640 4.291 -24.269 1.00 47.91 ? 144 PRO A CG 1 P41068 UNP 144 P +ATOM 1125 C CD . PRO A 1 144 ? 25.034 3.659 -23.011 1.00 47.91 ? 144 PRO A CD 1 P41068 UNP 144 P +ATOM 1126 N N . GLY A 1 145 ? 25.299 -0.060 -25.540 1.00 45.25 ? 145 GLY A N 1 P41068 UNP 145 G +ATOM 1127 C CA . GLY A 1 145 ? 26.226 -1.083 -25.998 1.00 45.25 ? 145 GLY A CA 1 P41068 UNP 145 G +ATOM 1128 C C . GLY A 1 145 ? 27.108 -0.435 -27.053 1.00 45.25 ? 145 GLY A C 1 P41068 UNP 145 G +ATOM 1129 O O . GLY A 1 145 ? 26.651 0.500 -27.711 1.00 45.25 ? 145 GLY A O 1 P41068 UNP 145 G +ATOM 1130 N N . LYS A 1 146 ? 28.376 -0.859 -27.144 1.00 38.62 ? 146 LYS A N 1 P41068 UNP 146 K +ATOM 1131 C CA . LYS A 1 146 ? 29.366 -0.337 -28.101 1.00 38.62 ? 146 LYS A CA 1 P41068 UNP 146 K +ATOM 1132 C C . LYS A 1 146 ? 28.658 0.078 -29.396 1.00 38.62 ? 146 LYS A C 1 P41068 UNP 146 K +ATOM 1133 C CB . LYS A 1 146 ? 30.399 -1.435 -28.425 1.00 38.62 ? 146 LYS A CB 1 P41068 UNP 146 K +ATOM 1134 O O . LYS A 1 146 ? 28.244 -0.788 -30.161 1.00 38.62 ? 146 LYS A O 1 P41068 UNP 146 K +ATOM 1135 C CG . LYS A 1 146 ? 31.354 -1.791 -27.273 1.00 38.62 ? 146 LYS A CG 1 P41068 UNP 146 K +ATOM 1136 C CD . LYS A 1 146 ? 32.319 -2.904 -27.721 1.00 38.62 ? 146 LYS A CD 1 P41068 UNP 146 K +ATOM 1137 C CE . LYS A 1 146 ? 33.326 -3.265 -26.617 1.00 38.62 ? 146 LYS A CE 1 P41068 UNP 146 K +ATOM 1138 N NZ . LYS A 1 146 ? 34.261 -4.344 -27.043 1.00 38.62 ? 146 LYS A NZ 1 P41068 UNP 146 K +ATOM 1139 N N . MET A 1 147 ? 28.455 1.381 -29.607 1.00 42.09 ? 147 MET A N 1 P41068 UNP 147 M +ATOM 1140 C CA . MET A 1 147 ? 27.887 1.858 -30.861 1.00 42.09 ? 147 MET A CA 1 P41068 UNP 147 M +ATOM 1141 C C . MET A 1 147 ? 28.907 1.471 -31.927 1.00 42.09 ? 147 MET A C 1 P41068 UNP 147 M +ATOM 1142 C CB . MET A 1 147 ? 27.641 3.380 -30.829 1.00 42.09 ? 147 MET A CB 1 P41068 UNP 147 M +ATOM 1143 O O . MET A 1 147 ? 30.011 2.013 -31.943 1.00 42.09 ? 147 MET A O 1 P41068 UNP 147 M +ATOM 1144 C CG . MET A 1 147 ? 26.306 3.767 -30.179 1.00 42.09 ? 147 MET A CG 1 P41068 UNP 147 M +ATOM 1145 S SD . MET A 1 147 ? 26.042 5.566 -30.093 1.00 42.09 ? 147 MET A SD 1 P41068 UNP 147 M +ATOM 1146 C CE . MET A 1 147 ? 24.240 5.623 -29.893 1.00 42.09 ? 147 MET A CE 1 P41068 UNP 147 M +ATOM 1147 N N . LYS A 1 148 ? 28.585 0.492 -32.778 1.00 36.16 ? 148 LYS A N 1 P41068 UNP 148 K +ATOM 1148 C CA . LYS A 1 148 ? 29.323 0.312 -34.027 1.00 36.16 ? 148 LYS A CA 1 P41068 UNP 148 K +ATOM 1149 C C . LYS A 1 148 ? 29.053 1.588 -34.827 1.00 36.16 ? 148 LYS A C 1 P41068 UNP 148 K +ATOM 1150 C CB . LYS A 1 148 ? 28.854 -0.960 -34.775 1.00 36.16 ? 148 LYS A CB 1 P41068 UNP 148 K +ATOM 1151 O O . LYS A 1 148 ? 27.927 1.770 -35.279 1.00 36.16 ? 148 LYS A O 1 P41068 UNP 148 K +ATOM 1152 C CG . LYS A 1 148 ? 29.536 -2.258 -34.294 1.00 36.16 ? 148 LYS A CG 1 P41068 UNP 148 K +ATOM 1153 C CD . LYS A 1 148 ? 29.042 -3.482 -35.092 1.00 36.16 ? 148 LYS A CD 1 P41068 UNP 148 K +ATOM 1154 C CE . LYS A 1 148 ? 29.801 -4.767 -34.716 1.00 36.16 ? 148 LYS A CE 1 P41068 UNP 148 K +ATOM 1155 N NZ . LYS A 1 148 ? 29.309 -5.949 -35.478 1.00 36.16 ? 148 LYS A NZ 1 P41068 UNP 148 K +ATOM 1156 N N . CYS A 1 149 ? 30.030 2.497 -34.952 1.00 40.06 ? 149 CYS A N 1 P41068 UNP 149 C +ATOM 1157 C CA . CYS A 1 149 ? 29.954 3.520 -36.000 1.00 40.06 ? 149 CYS A CA 1 P41068 UNP 149 C +ATOM 1158 C C . CYS A 1 149 ? 29.865 2.721 -37.309 1.00 40.06 ? 149 CYS A C 1 P41068 UNP 149 C +ATOM 1159 C CB . CYS A 1 149 ? 31.171 4.489 -36.019 1.00 40.06 ? 149 CYS A CB 1 P41068 UNP 149 C +ATOM 1160 O O . CYS A 1 149 ? 30.817 2.035 -37.684 1.00 40.06 ? 149 CYS A O 1 P41068 UNP 149 C +ATOM 1161 S SG . CYS A 1 149 ? 31.389 5.761 -34.703 1.00 40.06 ? 149 CYS A SG 1 P41068 UNP 149 C +ATOM 1162 N N . ILE A 1 150 ? 28.701 2.732 -37.954 1.00 39.41 ? 150 ILE A N 1 P41068 UNP 150 I +ATOM 1163 C CA . ILE A 1 150 ? 28.577 2.234 -39.319 1.00 39.41 ? 150 ILE A CA 1 P41068 UNP 150 I +ATOM 1164 C C . ILE A 1 150 ? 29.372 3.228 -40.165 1.00 39.41 ? 150 ILE A C 1 P41068 UNP 150 I +ATOM 1165 C CB . ILE A 1 150 ? 27.089 2.106 -39.729 1.00 39.41 ? 150 ILE A CB 1 P41068 UNP 150 I +ATOM 1166 O O . ILE A 1 150 ? 29.096 4.428 -40.121 1.00 39.41 ? 150 ILE A O 1 P41068 UNP 150 I +ATOM 1167 C CG1 . ILE A 1 150 ? 26.377 1.073 -38.818 1.00 39.41 ? 150 ILE A CG1 1 P41068 UNP 150 I +ATOM 1168 C CG2 . ILE A 1 150 ? 26.973 1.698 -41.208 1.00 39.41 ? 150 ILE A CG2 1 P41068 UNP 150 I +ATOM 1169 C CD1 . ILE A 1 150 ? 24.860 0.978 -39.026 1.00 39.41 ? 150 ILE A CD1 1 P41068 UNP 150 I +ATOM 1170 N N . ARG A 1 151 ? 30.405 2.758 -40.877 1.00 34.41 ? 151 ARG A N 1 P41068 UNP 151 R +ATOM 1171 C CA . ARG A 1 151 ? 31.025 3.558 -41.938 1.00 34.41 ? 151 ARG A CA 1 P41068 UNP 151 R +ATOM 1172 C C . ARG A 1 151 ? 29.948 3.771 -42.991 1.00 34.41 ? 151 ARG A C 1 P41068 UNP 151 R +ATOM 1173 C CB . ARG A 1 151 ? 32.234 2.858 -42.590 1.00 34.41 ? 151 ARG A CB 1 P41068 UNP 151 R +ATOM 1174 O O . ARG A 1 151 ? 29.659 2.858 -43.756 1.00 34.41 ? 151 ARG A O 1 P41068 UNP 151 R +ATOM 1175 C CG . ARG A 1 151 ? 33.576 3.102 -41.895 1.00 34.41 ? 151 ARG A CG 1 P41068 UNP 151 R +ATOM 1176 C CD . ARG A 1 151 ? 34.709 2.577 -42.792 1.00 34.41 ? 151 ARG A CD 1 P41068 UNP 151 R +ATOM 1177 N NE . ARG A 1 151 ? 36.012 2.587 -42.097 1.00 34.41 ? 151 ARG A NE 1 P41068 UNP 151 R +ATOM 1178 N NH1 . ARG A 1 151 ? 37.372 2.808 -43.944 1.00 34.41 ? 151 ARG A NH1 1 P41068 UNP 151 R +ATOM 1179 N NH2 . ARG A 1 151 ? 38.283 2.632 -41.923 1.00 34.41 ? 151 ARG A NH2 1 P41068 UNP 151 R +ATOM 1180 C CZ . ARG A 1 151 ? 37.207 2.676 -42.658 1.00 34.41 ? 151 ARG A CZ 1 P41068 UNP 151 R +ATOM 1181 N N . VAL A 1 152 ? 29.355 4.955 -43.018 1.00 41.19 ? 152 VAL A N 1 P41068 UNP 152 V +ATOM 1182 C CA . VAL A 1 152 ? 28.642 5.399 -44.207 1.00 41.19 ? 152 VAL A CA 1 P41068 UNP 152 V +ATOM 1183 C C . VAL A 1 152 ? 29.732 5.815 -45.188 1.00 41.19 ? 152 VAL A C 1 P41068 UNP 152 V +ATOM 1184 C CB . VAL A 1 152 ? 27.631 6.515 -43.895 1.00 41.19 ? 152 VAL A CB 1 P41068 UNP 152 V +ATOM 1185 O O . VAL A 1 152 ? 30.338 6.873 -45.047 1.00 41.19 ? 152 VAL A O 1 P41068 UNP 152 V +ATOM 1186 C CG1 . VAL A 1 152 ? 26.812 6.804 -45.149 1.00 41.19 ? 152 VAL A CG1 1 P41068 UNP 152 V +ATOM 1187 C CG2 . VAL A 1 152 ? 26.656 6.105 -42.783 1.00 41.19 ? 152 VAL A CG2 1 P41068 UNP 152 V +ATOM 1188 N N . VAL A 1 153 ? 30.072 4.918 -46.112 1.00 36.22 ? 153 VAL A N 1 P41068 UNP 153 V +ATOM 1189 C CA . VAL A 1 153 ? 30.868 5.274 -47.287 1.00 36.22 ? 153 VAL A CA 1 P41068 UNP 153 V +ATOM 1190 C C . VAL A 1 153 ? 29.888 5.923 -48.253 1.00 36.22 ? 153 VAL A C 1 P41068 UNP 153 V +ATOM 1191 C CB . VAL A 1 153 ? 31.572 4.048 -47.915 1.00 36.22 ? 153 VAL A CB 1 P41068 UNP 153 V +ATOM 1192 O O . VAL A 1 153 ? 29.284 5.239 -49.069 1.00 36.22 ? 153 VAL A O 1 P41068 UNP 153 V +ATOM 1193 C CG1 . VAL A 1 153 ? 32.444 4.461 -49.109 1.00 36.22 ? 153 VAL A CG1 1 P41068 UNP 153 V +ATOM 1194 C CG2 . VAL A 1 153 ? 32.477 3.342 -46.895 1.00 36.22 ? 153 VAL A CG2 1 P41068 UNP 153 V +ATOM 1195 N N . THR A 1 154 ? 29.651 7.223 -48.124 1.00 42.25 ? 154 THR A N 1 P41068 UNP 154 T +ATOM 1196 C CA . THR A 1 154 ? 29.044 7.968 -49.228 1.00 42.25 ? 154 THR A CA 1 P41068 UNP 154 T +ATOM 1197 C C . THR A 1 154 ? 30.184 8.515 -50.059 1.00 42.25 ? 154 THR A C 1 P41068 UNP 154 T +ATOM 1198 C CB . THR A 1 154 ? 28.056 9.044 -48.766 1.00 42.25 ? 154 THR A CB 1 P41068 UNP 154 T +ATOM 1199 O O . THR A 1 154 ? 30.803 9.510 -49.692 1.00 42.25 ? 154 THR A O 1 P41068 UNP 154 T +ATOM 1200 C CG2 . THR A 1 154 ? 26.788 8.393 -48.204 1.00 42.25 ? 154 THR A CG2 1 P41068 UNP 154 T +ATOM 1201 O OG1 . THR A 1 154 ? 28.644 9.871 -47.786 1.00 42.25 ? 154 THR A OG1 1 P41068 UNP 154 T +ATOM 1202 N N . ALA A 1 155 ? 30.477 7.833 -51.166 1.00 45.28 ? 155 ALA A N 1 P41068 UNP 155 A +ATOM 1203 C CA . ALA A 1 155 ? 31.359 8.316 -52.228 1.00 45.28 ? 155 ALA A CA 1 P41068 UNP 155 A +ATOM 1204 C C . ALA A 1 155 ? 30.705 9.449 -53.042 1.00 45.28 ? 155 ALA A C 1 P41068 UNP 155 A +ATOM 1205 C CB . ALA A 1 155 ? 31.753 7.118 -53.104 1.00 45.28 ? 155 ALA A CB 1 P41068 UNP 155 A +ATOM 1206 O O . ALA A 1 155 ? 31.031 9.641 -54.206 1.00 45.28 ? 155 ALA A O 1 P41068 UNP 155 A +ATOM 1207 N N . ASP A 1 156 ? 29.756 10.163 -52.443 1.00 40.69 ? 156 ASP A N 1 P41068 UNP 156 D +ATOM 1208 C CA . ASP A 1 156 ? 28.878 11.062 -53.154 1.00 40.69 ? 156 ASP A CA 1 P41068 UNP 156 D +ATOM 1209 C C . ASP A 1 156 ? 28.942 12.460 -52.532 1.00 40.69 ? 156 ASP A C 1 P41068 UNP 156 D +ATOM 1210 C CB . ASP A 1 156 ? 27.469 10.455 -53.216 1.00 40.69 ? 156 ASP A CB 1 P41068 UNP 156 D +ATOM 1211 O O . ASP A 1 156 ? 28.562 12.682 -51.376 1.00 40.69 ? 156 ASP A O 1 P41068 UNP 156 D +ATOM 1212 C CG . ASP A 1 156 ? 26.692 11.074 -54.368 1.00 40.69 ? 156 ASP A CG 1 P41068 UNP 156 D +ATOM 1213 O OD1 . ASP A 1 156 ? 27.142 12.157 -54.792 1.00 40.69 ? 156 ASP A OD1 1 P41068 UNP 156 D +ATOM 1214 O OD2 . ASP A 1 156 ? 25.672 10.477 -54.773 1.00 40.69 ? 156 ASP A OD2 1 P41068 UNP 156 D +ATOM 1215 N N . GLU A 1 157 ? 29.490 13.390 -53.309 1.00 45.34 ? 157 GLU A N 1 P41068 UNP 157 E +ATOM 1216 C CA . GLU A 1 157 ? 29.692 14.796 -52.963 1.00 45.34 ? 157 GLU A CA 1 P41068 UNP 157 E +ATOM 1217 C C . GLU A 1 157 ? 28.355 15.502 -52.657 1.00 45.34 ? 157 GLU A C 1 P41068 UNP 157 E +ATOM 1218 C CB . GLU A 1 157 ? 30.473 15.433 -54.129 1.00 45.34 ? 157 GLU A CB 1 P41068 UNP 157 E +ATOM 1219 O O . GLU A 1 157 ? 28.324 16.490 -51.918 1.00 45.34 ? 157 GLU A O 1 P41068 UNP 157 E +ATOM 1220 C CG . GLU A 1 157 ? 31.151 16.762 -53.766 1.00 45.34 ? 157 GLU A CG 1 P41068 UNP 157 E +ATOM 1221 C CD . GLU A 1 157 ? 32.124 17.278 -54.845 1.00 45.34 ? 157 GLU A CD 1 P41068 UNP 157 E +ATOM 1222 O OE1 . GLU A 1 157 ? 32.785 18.300 -54.542 1.00 45.34 ? 157 GLU A OE1 1 P41068 UNP 157 E +ATOM 1223 O OE2 . GLU A 1 157 ? 32.236 16.650 -55.921 1.00 45.34 ? 157 GLU A OE2 1 P41068 UNP 157 E +ATOM 1224 N N . HIS A 1 158 ? 27.233 14.937 -53.120 1.00 39.06 ? 158 HIS A N 1 P41068 UNP 158 H +ATOM 1225 C CA . HIS A 1 158 ? 25.883 15.470 -52.926 1.00 39.06 ? 158 HIS A CA 1 P41068 UNP 158 H +ATOM 1226 C C . HIS A 1 158 ? 25.358 15.337 -51.481 1.00 39.06 ? 158 HIS A C 1 P41068 UNP 158 H +ATOM 1227 C CB . HIS A 1 158 ? 24.940 14.784 -53.930 1.00 39.06 ? 158 HIS A CB 1 P41068 UNP 158 H +ATOM 1228 O O . HIS A 1 158 ? 24.422 16.037 -51.094 1.00 39.06 ? 158 HIS A O 1 P41068 UNP 158 H +ATOM 1229 C CG . HIS A 1 158 ? 25.465 14.714 -55.350 1.00 39.06 ? 158 HIS A CG 1 P41068 UNP 158 H +ATOM 1230 C CD2 . HIS A 1 158 ? 25.390 13.637 -56.194 1.00 39.06 ? 158 HIS A CD2 1 P41068 UNP 158 H +ATOM 1231 N ND1 . HIS A 1 158 ? 26.198 15.676 -56.010 1.00 39.06 ? 158 HIS A ND1 1 P41068 UNP 158 H +ATOM 1232 C CE1 . HIS A 1 158 ? 26.593 15.168 -57.189 1.00 39.06 ? 158 HIS A CE1 1 P41068 UNP 158 H +ATOM 1233 N NE2 . HIS A 1 158 ? 26.112 13.933 -57.356 1.00 39.06 ? 158 HIS A NE2 1 P41068 UNP 158 H +ATOM 1234 N N . LEU A 1 159 ? 25.963 14.502 -50.621 1.00 41.50 ? 159 LEU A N 1 P41068 UNP 159 L +ATOM 1235 C CA . LEU A 1 159 ? 25.475 14.327 -49.241 1.00 41.50 ? 159 LEU A CA 1 P41068 UNP 159 L +ATOM 1236 C C . LEU A 1 159 ? 25.899 15.451 -48.273 1.00 41.50 ? 159 LEU A C 1 P41068 UNP 159 L +ATOM 1237 C CB . LEU A 1 159 ? 25.844 12.936 -48.703 1.00 41.50 ? 159 LEU A CB 1 P41068 UNP 159 L +ATOM 1238 O O . LEU A 1 159 ? 25.575 15.414 -47.083 1.00 41.50 ? 159 LEU A O 1 P41068 UNP 159 L +ATOM 1239 C CG . LEU A 1 159 ? 24.712 12.387 -47.811 1.00 41.50 ? 159 LEU A CG 1 P41068 UNP 159 L +ATOM 1240 C CD1 . LEU A 1 159 ? 23.681 11.633 -48.654 1.00 41.50 ? 159 LEU A CD1 1 P41068 UNP 159 L +ATOM 1241 C CD2 . LEU A 1 159 ? 25.270 11.443 -46.755 1.00 41.50 ? 159 LEU A CD2 1 P41068 UNP 159 L +ATOM 1242 N N . LYS A 1 160 ? 26.624 16.464 -48.762 1.00 37.97 ? 160 LYS A N 1 P41068 UNP 160 K +ATOM 1243 C CA . LYS A 1 160 ? 26.990 17.648 -47.973 1.00 37.97 ? 160 LYS A CA 1 P41068 UNP 160 K +ATOM 1244 C C . LYS A 1 160 ? 25.775 18.519 -47.629 1.00 37.97 ? 160 LYS A C 1 P41068 UNP 160 K +ATOM 1245 C CB . LYS A 1 160 ? 28.068 18.440 -48.732 1.00 37.97 ? 160 LYS A CB 1 P41068 UNP 160 K +ATOM 1246 O O . LYS A 1 160 ? 25.809 19.203 -46.609 1.00 37.97 ? 160 LYS A O 1 P41068 UNP 160 K +ATOM 1247 C CG . LYS A 1 160 ? 29.245 18.841 -47.830 1.00 37.97 ? 160 LYS A CG 1 P41068 UNP 160 K +ATOM 1248 C CD . LYS A 1 160 ? 30.295 19.548 -48.694 1.00 37.97 ? 160 LYS A CD 1 P41068 UNP 160 K +ATOM 1249 C CE . LYS A 1 160 ? 31.581 19.862 -47.926 1.00 37.97 ? 160 LYS A CE 1 P41068 UNP 160 K +ATOM 1250 N NZ . LYS A 1 160 ? 32.558 20.495 -48.847 1.00 37.97 ? 160 LYS A NZ 1 P41068 UNP 160 K +ATOM 1251 N N . GLU A 1 161 ? 24.714 18.458 -48.436 1.00 36.09 ? 161 GLU A N 1 P41068 UNP 161 E +ATOM 1252 C CA . GLU A 1 161 ? 23.538 19.331 -48.307 1.00 36.09 ? 161 GLU A CA 1 P41068 UNP 161 E +ATOM 1253 C C . GLU A 1 161 ? 22.372 18.693 -47.534 1.00 36.09 ? 161 GLU A C 1 P41068 UNP 161 E +ATOM 1254 C CB . GLU A 1 161 ? 23.112 19.827 -49.699 1.00 36.09 ? 161 GLU A CB 1 P41068 UNP 161 E +ATOM 1255 O O . GLU A 1 161 ? 21.586 19.399 -46.915 1.00 36.09 ? 161 GLU A O 1 P41068 UNP 161 E +ATOM 1256 C CG . GLU A 1 161 ? 24.224 20.681 -50.337 1.00 36.09 ? 161 GLU A CG 1 P41068 UNP 161 E +ATOM 1257 C CD . GLU A 1 161 ? 23.806 21.398 -51.629 1.00 36.09 ? 161 GLU A CD 1 P41068 UNP 161 E +ATOM 1258 O OE1 . GLU A 1 161 ? 24.601 22.267 -52.057 1.00 36.09 ? 161 GLU A OE1 1 P41068 UNP 161 E +ATOM 1259 O OE2 . GLU A 1 161 ? 22.727 21.078 -52.172 1.00 36.09 ? 161 GLU A OE2 1 P41068 UNP 161 E +ATOM 1260 N N . VAL A 1 162 ? 22.288 17.362 -47.437 1.00 34.12 ? 162 VAL A N 1 P41068 UNP 162 V +ATOM 1261 C CA . VAL A 1 162 ? 21.131 16.694 -46.796 1.00 34.12 ? 162 VAL A CA 1 P41068 UNP 162 V +ATOM 1262 C C . VAL A 1 162 ? 21.141 16.796 -45.258 1.00 34.12 ? 162 VAL A C 1 P41068 UNP 162 V +ATOM 1263 C CB . VAL A 1 162 ? 20.979 15.250 -47.321 1.00 34.12 ? 162 VAL A CB 1 P41068 UNP 162 V +ATOM 1264 O O . VAL A 1 162 ? 20.146 16.514 -44.598 1.00 34.12 ? 162 VAL A O 1 P41068 UNP 162 V +ATOM 1265 C CG1 . VAL A 1 162 ? 19.764 14.505 -46.750 1.00 34.12 ? 162 VAL A CG1 1 P41068 UNP 162 V +ATOM 1266 C CG2 . VAL A 1 162 ? 20.812 15.257 -48.849 1.00 34.12 ? 162 VAL A CG2 1 P41068 UNP 162 V +ATOM 1267 N N . TYR A 1 163 ? 22.222 17.276 -44.637 1.00 35.97 ? 163 TYR A N 1 P41068 UNP 163 Y +ATOM 1268 C CA . TYR A 1 163 ? 22.263 17.459 -43.179 1.00 35.97 ? 163 TYR A CA 1 P41068 UNP 163 Y +ATOM 1269 C C . TYR A 1 163 ? 21.680 18.791 -42.674 1.00 35.97 ? 163 TYR A C 1 P41068 UNP 163 Y +ATOM 1270 C CB . TYR A 1 163 ? 23.665 17.149 -42.638 1.00 35.97 ? 163 TYR A CB 1 P41068 UNP 163 Y +ATOM 1271 O O . TYR A 1 163 ? 21.800 19.068 -41.476 1.00 35.97 ? 163 TYR A O 1 P41068 UNP 163 Y +ATOM 1272 C CG . TYR A 1 163 ? 23.982 15.667 -42.641 1.00 35.97 ? 163 TYR A CG 1 P41068 UNP 163 Y +ATOM 1273 C CD1 . TYR A 1 163 ? 23.319 14.806 -41.741 1.00 35.97 ? 163 TYR A CD1 1 P41068 UNP 163 Y +ATOM 1274 C CD2 . TYR A 1 163 ? 24.907 15.143 -43.563 1.00 35.97 ? 163 TYR A CD2 1 P41068 UNP 163 Y +ATOM 1275 C CE1 . TYR A 1 163 ? 23.574 13.422 -41.767 1.00 35.97 ? 163 TYR A CE1 1 P41068 UNP 163 Y +ATOM 1276 C CE2 . TYR A 1 163 ? 25.186 13.765 -43.571 1.00 35.97 ? 163 TYR A CE2 1 P41068 UNP 163 Y +ATOM 1277 O OH . TYR A 1 163 ? 24.759 11.566 -42.721 1.00 35.97 ? 163 TYR A OH 1 P41068 UNP 163 Y +ATOM 1278 C CZ . TYR A 1 163 ? 24.513 12.901 -42.685 1.00 35.97 ? 163 TYR A CZ 1 P41068 UNP 163 Y +ATOM 1279 N N . THR A 1 164 ? 21.039 19.604 -43.524 1.00 34.34 ? 164 THR A N 1 P41068 UNP 164 T +ATOM 1280 C CA . THR A 1 164 ? 20.375 20.843 -43.077 1.00 34.34 ? 164 THR A CA 1 P41068 UNP 164 T +ATOM 1281 C C . THR A 1 164 ? 18.872 20.740 -42.832 1.00 34.34 ? 164 THR A C 1 P41068 UNP 164 T +ATOM 1282 C CB . THR A 1 164 ? 20.719 22.056 -43.957 1.00 34.34 ? 164 THR A CB 1 P41068 UNP 164 T +ATOM 1283 O O . THR A 1 164 ? 18.332 21.676 -42.248 1.00 34.34 ? 164 THR A O 1 P41068 UNP 164 T +ATOM 1284 C CG2 . THR A 1 164 ? 22.165 22.492 -43.706 1.00 34.34 ? 164 THR A CG2 1 P41068 UNP 164 T +ATOM 1285 O OG1 . THR A 1 164 ? 20.632 21.770 -45.325 1.00 34.34 ? 164 THR A OG1 1 P41068 UNP 164 T +ATOM 1286 N N . GLU A 1 165 ? 18.191 19.636 -43.154 1.00 31.59 ? 165 GLU A N 1 P41068 UNP 165 E +ATOM 1287 C CA . GLU A 1 165 ? 16.717 19.648 -43.143 1.00 31.59 ? 165 GLU A CA 1 P41068 UNP 165 E +ATOM 1288 C C . GLU A 1 165 ? 16.046 18.429 -42.505 1.00 31.59 ? 165 GLU A C 1 P41068 UNP 165 E +ATOM 1289 C CB . GLU A 1 165 ? 16.196 20.007 -44.543 1.00 31.59 ? 165 GLU A CB 1 P41068 UNP 165 E +ATOM 1290 O O . GLU A 1 165 ? 15.097 17.879 -43.036 1.00 31.59 ? 165 GLU A O 1 P41068 UNP 165 E +ATOM 1291 C CG . GLU A 1 165 ? 14.856 20.763 -44.457 1.00 31.59 ? 165 GLU A CG 1 P41068 UNP 165 E +ATOM 1292 C CD . GLU A 1 165 ? 14.526 21.566 -45.723 1.00 31.59 ? 165 GLU A CD 1 P41068 UNP 165 E +ATOM 1293 O OE1 . GLU A 1 165 ? 13.330 21.898 -45.885 1.00 31.59 ? 165 GLU A OE1 1 P41068 UNP 165 E +ATOM 1294 O OE2 . GLU A 1 165 ? 15.467 21.915 -46.471 1.00 31.59 ? 165 GLU A OE2 1 P41068 UNP 165 E +ATOM 1295 N N . ASP A 1 166 ? 16.484 18.048 -41.304 1.00 31.03 ? 166 ASP A N 1 P41068 UNP 166 D +ATOM 1296 C CA . ASP A 1 166 ? 15.668 17.193 -40.432 1.00 31.03 ? 166 ASP A CA 1 P41068 UNP 166 D +ATOM 1297 C C . ASP A 1 166 ? 15.688 17.710 -38.989 1.00 31.03 ? 166 ASP A C 1 P41068 UNP 166 D +ATOM 1298 C CB . ASP A 1 166 ? 16.034 15.709 -40.588 1.00 31.03 ? 166 ASP A CB 1 P41068 UNP 166 D +ATOM 1299 O O . ASP A 1 166 ? 16.411 17.250 -38.101 1.00 31.03 ? 166 ASP A O 1 P41068 UNP 166 D +ATOM 1300 C CG . ASP A 1 166 ? 15.181 14.995 -41.647 1.00 31.03 ? 166 ASP A CG 1 P41068 UNP 166 D +ATOM 1301 O OD1 . ASP A 1 166 ? 13.953 15.245 -41.656 1.00 31.03 ? 166 ASP A OD1 1 P41068 UNP 166 D +ATOM 1302 O OD2 . ASP A 1 166 ? 15.736 14.078 -42.292 1.00 31.03 ? 166 ASP A OD2 1 P41068 UNP 166 D +ATOM 1303 N N . ALA A 1 167 ? 14.862 18.733 -38.770 1.00 42.34 ? 167 ALA A N 1 P41068 UNP 167 A +ATOM 1304 C CA . ALA A 1 167 ? 14.672 19.445 -37.511 1.00 42.34 ? 167 ALA A CA 1 P41068 UNP 167 A +ATOM 1305 C C . ALA A 1 167 ? 13.702 18.758 -36.521 1.00 42.34 ? 167 ALA A C 1 P41068 UNP 167 A +ATOM 1306 C CB . ALA A 1 167 ? 14.252 20.886 -37.845 1.00 42.34 ? 167 ALA A CB 1 P41068 UNP 167 A +ATOM 1307 O O . ALA A 1 167 ? 13.245 19.406 -35.582 1.00 42.34 ? 167 ALA A O 1 P41068 UNP 167 A +ATOM 1308 N N . SER A 1 168 ? 13.368 17.471 -36.668 1.00 39.69 ? 168 SER A N 1 P41068 UNP 168 S +ATOM 1309 C CA . SER A 1 168 ? 12.278 16.859 -35.878 1.00 39.69 ? 168 SER A CA 1 P41068 UNP 168 S +ATOM 1310 C C . SER A 1 168 ? 12.665 15.707 -34.938 1.00 39.69 ? 168 SER A C 1 P41068 UNP 168 S +ATOM 1311 C CB . SER A 1 168 ? 11.122 16.491 -36.808 1.00 39.69 ? 168 SER A CB 1 P41068 UNP 168 S +ATOM 1312 O O . SER A 1 168 ? 11.824 15.268 -34.153 1.00 39.69 ? 168 SER A O 1 P41068 UNP 168 S +ATOM 1313 O OG . SER A 1 168 ? 11.557 15.492 -37.701 1.00 39.69 ? 168 SER A OG 1 P41068 UNP 168 S +ATOM 1314 N N . LEU A 1 169 ? 13.925 15.253 -34.893 1.00 32.50 ? 169 LEU A N 1 P41068 UNP 169 L +ATOM 1315 C CA . LEU A 1 169 ? 14.342 14.171 -33.984 1.00 32.50 ? 169 LEU A CA 1 P41068 UNP 169 L +ATOM 1316 C C . LEU A 1 169 ? 15.635 14.511 -33.222 1.00 32.50 ? 169 LEU A C 1 P41068 UNP 169 L +ATOM 1317 C CB . LEU A 1 169 ? 14.447 12.854 -34.784 1.00 32.50 ? 169 LEU A CB 1 P41068 UNP 169 L +ATOM 1318 O O . LEU A 1 169 ? 16.717 14.511 -33.808 1.00 32.50 ? 169 LEU A O 1 P41068 UNP 169 L +ATOM 1319 C CG . LEU A 1 169 ? 13.103 12.097 -34.849 1.00 32.50 ? 169 LEU A CG 1 P41068 UNP 169 L +ATOM 1320 C CD1 . LEU A 1 169 ? 13.063 11.141 -36.036 1.00 32.50 ? 169 LEU A CD1 1 P41068 UNP 169 L +ATOM 1321 C CD2 . LEU A 1 169 ? 12.883 11.269 -33.574 1.00 32.50 ? 169 LEU A CD2 1 P41068 UNP 169 L +ATOM 1322 N N . PRO A 1 170 ? 15.599 14.708 -31.884 1.00 36.75 ? 170 PRO A N 1 P41068 UNP 170 P +ATOM 1323 C CA . PRO A 1 170 ? 16.795 14.912 -31.070 1.00 36.75 ? 170 PRO A CA 1 P41068 UNP 170 P +ATOM 1324 C C . PRO A 1 170 ? 17.483 13.561 -30.783 1.00 36.75 ? 170 PRO A C 1 P41068 UNP 170 P +ATOM 1325 C CB . PRO A 1 170 ? 16.300 15.670 -29.835 1.00 36.75 ? 170 PRO A CB 1 P41068 UNP 170 P +ATOM 1326 O O . PRO A 1 170 ? 17.808 13.220 -29.643 1.00 36.75 ? 170 PRO A O 1 P41068 UNP 170 P +ATOM 1327 C CG . PRO A 1 170 ? 14.916 15.064 -29.612 1.00 36.75 ? 170 PRO A CG 1 P41068 UNP 170 P +ATOM 1328 C CD . PRO A 1 170 ? 14.420 14.747 -31.027 1.00 36.75 ? 170 PRO A CD 1 P41068 UNP 170 P +ATOM 1329 N N . GLY A 1 171 ? 17.698 12.758 -31.825 1.00 37.38 ? 171 GLY A N 1 P41068 UNP 171 G +ATOM 1330 C CA . GLY A 1 171 ? 18.514 11.553 -31.810 1.00 37.38 ? 171 GLY A CA 1 P41068 UNP 171 G +ATOM 1331 C C . GLY A 1 171 ? 19.935 11.929 -32.200 1.00 37.38 ? 171 GLY A C 1 P41068 UNP 171 G +ATOM 1332 O O . GLY A 1 171 ? 20.254 12.021 -33.374 1.00 37.38 ? 171 GLY A O 1 P41068 UNP 171 G +ATOM 1333 N N . LYS A 1 172 ? 20.785 12.195 -31.205 1.00 39.62 ? 172 LYS A N 1 P41068 UNP 172 K +ATOM 1334 C CA . LYS A 1 172 ? 22.195 12.590 -31.358 1.00 39.62 ? 172 LYS A CA 1 P41068 UNP 172 K +ATOM 1335 C C . LYS A 1 172 ? 22.958 11.708 -32.359 1.00 39.62 ? 172 LYS A C 1 P41068 UNP 172 K +ATOM 1336 C CB . LYS A 1 172 ? 22.886 12.501 -29.988 1.00 39.62 ? 172 LYS A CB 1 P41068 UNP 172 K +ATOM 1337 O O . LYS A 1 172 ? 23.580 10.723 -31.959 1.00 39.62 ? 172 LYS A O 1 P41068 UNP 172 K +ATOM 1338 C CG . LYS A 1 172 ? 22.473 13.615 -29.029 1.00 39.62 ? 172 LYS A CG 1 P41068 UNP 172 K +ATOM 1339 C CD . LYS A 1 172 ? 23.059 13.334 -27.645 1.00 39.62 ? 172 LYS A CD 1 P41068 UNP 172 K +ATOM 1340 C CE . LYS A 1 172 ? 22.825 14.564 -26.767 1.00 39.62 ? 172 LYS A CE 1 P41068 UNP 172 K +ATOM 1341 N NZ . LYS A 1 172 ? 23.134 14.295 -25.345 1.00 39.62 ? 172 LYS A NZ 1 P41068 UNP 172 K +ATOM 1342 N N . ILE A 1 173 ? 23.028 12.134 -33.615 1.00 38.53 ? 173 ILE A N 1 P41068 UNP 173 I +ATOM 1343 C CA . ILE A 1 173 ? 24.083 11.724 -34.538 1.00 38.53 ? 173 ILE A CA 1 P41068 UNP 173 I +ATOM 1344 C C . ILE A 1 173 ? 25.363 12.390 -34.017 1.00 38.53 ? 173 ILE A C 1 P41068 UNP 173 I +ATOM 1345 C CB . ILE A 1 173 ? 23.736 12.093 -36.003 1.00 38.53 ? 173 ILE A CB 1 P41068 UNP 173 I +ATOM 1346 O O . ILE A 1 173 ? 25.646 13.561 -34.273 1.00 38.53 ? 173 ILE A O 1 P41068 UNP 173 I +ATOM 1347 C CG1 . ILE A 1 173 ? 22.368 11.502 -36.425 1.00 38.53 ? 173 ILE A CG1 1 P41068 UNP 173 I +ATOM 1348 C CG2 . ILE A 1 173 ? 24.854 11.580 -36.931 1.00 38.53 ? 173 ILE A CG2 1 P41068 UNP 173 I +ATOM 1349 C CD1 . ILE A 1 173 ? 21.889 11.947 -37.813 1.00 38.53 ? 173 ILE A CD1 1 P41068 UNP 173 I +ATOM 1350 N N . ARG A 1 174 ? 26.120 11.689 -33.164 1.00 42.12 ? 174 ARG A N 1 P41068 UNP 174 R +ATOM 1351 C CA . ARG A 1 174 ? 27.482 12.124 -32.826 1.00 42.12 ? 174 ARG A CA 1 P41068 UNP 174 R +ATOM 1352 C C . ARG A 1 174 ? 28.297 12.051 -34.115 1.00 42.12 ? 174 ARG A C 1 P41068 UNP 174 R +ATOM 1353 C CB . ARG A 1 174 ? 28.120 11.240 -31.734 1.00 42.12 ? 174 ARG A CB 1 P41068 UNP 174 R +ATOM 1354 O O . ARG A 1 174 ? 28.401 10.976 -34.689 1.00 42.12 ? 174 ARG A O 1 P41068 UNP 174 R +ATOM 1355 C CG . ARG A 1 174 ? 28.018 11.837 -30.323 1.00 42.12 ? 174 ARG A CG 1 P41068 UNP 174 R +ATOM 1356 C CD . ARG A 1 174 ? 28.825 10.973 -29.339 1.00 42.12 ? 174 ARG A CD 1 P41068 UNP 174 R +ATOM 1357 N NE . ARG A 1 174 ? 28.774 11.493 -27.954 1.00 42.12 ? 174 ARG A NE 1 P41068 UNP 174 R +ATOM 1358 N NH1 . ARG A 1 174 ? 30.699 10.489 -27.194 1.00 42.12 ? 174 ARG A NH1 1 P41068 UNP 174 R +ATOM 1359 N NH2 . ARG A 1 174 ? 29.493 11.728 -25.795 1.00 42.12 ? 174 ARG A NH2 1 P41068 UNP 174 R +ATOM 1360 C CZ . ARG A 1 174 ? 29.652 11.238 -26.995 1.00 42.12 ? 174 ARG A CZ 1 P41068 UNP 174 R +ATOM 1361 N N . LYS A 1 175 ? 28.905 13.172 -34.518 1.00 38.28 ? 175 LYS A N 1 P41068 UNP 175 K +ATOM 1362 C CA . LYS A 1 175 ? 29.973 13.219 -35.527 1.00 38.28 ? 175 LYS A CA 1 P41068 UNP 175 K +ATOM 1363 C C . LYS A 1 175 ? 31.061 12.206 -35.125 1.00 38.28 ? 175 LYS A C 1 P41068 UNP 175 K +ATOM 1364 C CB . LYS A 1 175 ? 30.538 14.662 -35.620 1.00 38.28 ? 175 LYS A CB 1 P41068 UNP 175 K +ATOM 1365 O O . LYS A 1 175 ? 31.862 12.507 -34.241 1.00 38.28 ? 175 LYS A O 1 P41068 UNP 175 K +ATOM 1366 C CG . LYS A 1 175 ? 29.597 15.652 -36.335 1.00 38.28 ? 175 LYS A CG 1 P41068 UNP 175 K +ATOM 1367 C CD . LYS A 1 175 ? 30.118 17.105 -36.341 1.00 38.28 ? 175 LYS A CD 1 P41068 UNP 175 K +ATOM 1368 C CE . LYS A 1 175 ? 29.159 17.991 -37.160 1.00 38.28 ? 175 LYS A CE 1 P41068 UNP 175 K +ATOM 1369 N NZ . LYS A 1 175 ? 29.573 19.418 -37.223 1.00 38.28 ? 175 LYS A NZ 1 P41068 UNP 175 K +ATOM 1370 N N . CYS A 1 176 ? 31.056 10.992 -35.690 1.00 41.72 ? 176 CYS A N 1 P41068 UNP 176 C +ATOM 1371 C CA . CYS A 1 176 ? 32.229 10.115 -35.630 1.00 41.72 ? 176 CYS A CA 1 P41068 UNP 176 C +ATOM 1372 C C . CYS A 1 176 ? 33.312 10.841 -36.461 1.00 41.72 ? 176 CYS A C 1 P41068 UNP 176 C +ATOM 1373 C CB . CYS A 1 176 ? 31.941 8.670 -36.145 1.00 41.72 ? 176 CYS A CB 1 P41068 UNP 176 C +ATOM 1374 O O . CYS A 1 176 ? 33.001 11.276 -37.571 1.00 41.72 ? 176 CYS A O 1 P41068 UNP 176 C +ATOM 1375 S SG . CYS A 1 176 ? 30.660 7.647 -35.291 1.00 41.72 ? 176 CYS A SG 1 P41068 UNP 176 C +ATOM 1376 N N . PRO A 1 177 ? 34.540 11.053 -35.954 1.00 38.47 ? 177 PRO A N 1 P41068 UNP 177 P +ATOM 1377 C CA . PRO A 1 177 ? 35.609 11.610 -36.774 1.00 38.47 ? 177 PRO A CA 1 P41068 UNP 177 P +ATOM 1378 C C . PRO A 1 177 ? 35.866 10.647 -37.938 1.00 38.47 ? 177 PRO A C 1 P41068 UNP 177 P +ATOM 1379 C CB . PRO A 1 177 ? 36.810 11.794 -35.841 1.00 38.47 ? 177 PRO A CB 1 P41068 UNP 177 P +ATOM 1380 O O . PRO A 1 177 ? 36.265 9.500 -37.737 1.00 38.47 ? 177 PRO A O 1 P41068 UNP 177 P +ATOM 1381 C CG . PRO A 1 177 ? 36.551 10.796 -34.712 1.00 38.47 ? 177 PRO A CG 1 P41068 UNP 177 P +ATOM 1382 C CD . PRO A 1 177 ? 35.027 10.713 -34.629 1.00 38.47 ? 177 PRO A CD 1 P41068 UNP 177 P +ATOM 1383 N N . VAL A 1 178 ? 35.553 11.102 -39.149 1.00 40.44 ? 178 VAL A N 1 P41068 UNP 178 V +ATOM 1384 C CA . VAL A 1 178 ? 35.852 10.391 -40.389 1.00 40.44 ? 178 VAL A CA 1 P41068 UNP 178 V +ATOM 1385 C C . VAL A 1 178 ? 37.351 10.537 -40.606 1.00 40.44 ? 178 VAL A C 1 P41068 UNP 178 V +ATOM 1386 C CB . VAL A 1 178 ? 35.037 10.960 -41.572 1.00 40.44 ? 178 VAL A CB 1 P41068 UNP 178 V +ATOM 1387 O O . VAL A 1 178 ? 37.830 11.621 -40.922 1.00 40.44 ? 178 VAL A O 1 P41068 UNP 178 V +ATOM 1388 C CG1 . VAL A 1 178 ? 35.335 10.211 -42.876 1.00 40.44 ? 178 VAL A CG1 1 P41068 UNP 178 V +ATOM 1389 C CG2 . VAL A 1 178 ? 33.528 10.848 -41.307 1.00 40.44 ? 178 VAL A CG2 1 P41068 UNP 178 V +ATOM 1390 N N . TYR A 1 179 ? 38.105 9.462 -40.390 1.00 31.41 ? 179 TYR A N 1 P41068 UNP 179 Y +ATOM 1391 C CA . TYR A 1 179 ? 39.465 9.388 -40.906 1.00 31.41 ? 179 TYR A CA 1 P41068 UNP 179 Y +ATOM 1392 C C . TYR A 1 179 ? 39.355 9.166 -42.414 1.00 31.41 ? 179 TYR A C 1 P41068 UNP 179 Y +ATOM 1393 C CB . TYR A 1 179 ? 40.260 8.281 -40.200 1.00 31.41 ? 179 TYR A CB 1 P41068 UNP 179 Y +ATOM 1394 O O . TYR A 1 179 ? 39.041 8.056 -42.850 1.00 31.41 ? 179 TYR A O 1 P41068 UNP 179 Y +ATOM 1395 C CG . TYR A 1 179 ? 40.795 8.688 -38.839 1.00 31.41 ? 179 TYR A CG 1 P41068 UNP 179 Y +ATOM 1396 C CD1 . TYR A 1 179 ? 42.058 9.305 -38.748 1.00 31.41 ? 179 TYR A CD1 1 P41068 UNP 179 Y +ATOM 1397 C CD2 . TYR A 1 179 ? 40.039 8.461 -37.672 1.00 31.41 ? 179 TYR A CD2 1 P41068 UNP 179 Y +ATOM 1398 C CE1 . TYR A 1 179 ? 42.575 9.686 -37.495 1.00 31.41 ? 179 TYR A CE1 1 P41068 UNP 179 Y +ATOM 1399 C CE2 . TYR A 1 179 ? 40.553 8.839 -36.416 1.00 31.41 ? 179 TYR A CE2 1 P41068 UNP 179 Y +ATOM 1400 O OH . TYR A 1 179 ? 42.311 9.814 -35.111 1.00 31.41 ? 179 TYR A OH 1 P41068 UNP 179 Y +ATOM 1401 C CZ . TYR A 1 179 ? 41.821 9.450 -36.325 1.00 31.41 ? 179 TYR A CZ 1 P41068 UNP 179 Y +ATOM 1402 N N . LEU A 1 180 ? 39.557 10.227 -43.197 1.00 33.19 ? 180 LEU A N 1 P41068 UNP 180 L +ATOM 1403 C CA . LEU A 1 180 ? 39.858 10.073 -44.615 1.00 33.19 ? 180 LEU A CA 1 P41068 UNP 180 L +ATOM 1404 C C . LEU A 1 180 ? 41.253 9.433 -44.707 1.00 33.19 ? 180 LEU A C 1 P41068 UNP 180 L +ATOM 1405 C CB . LEU A 1 180 ? 39.829 11.421 -45.366 1.00 33.19 ? 180 LEU A CB 1 P41068 UNP 180 L +ATOM 1406 O O . LEU A 1 180 ? 42.177 9.951 -44.073 1.00 33.19 ? 180 LEU A O 1 P41068 UNP 180 L +ATOM 1407 C CG . LEU A 1 180 ? 38.419 11.940 -45.712 1.00 33.19 ? 180 LEU A CG 1 P41068 UNP 180 L +ATOM 1408 C CD1 . LEU A 1 180 ? 37.794 12.749 -44.571 1.00 33.19 ? 180 LEU A CD1 1 P41068 UNP 180 L +ATOM 1409 C CD2 . LEU A 1 180 ? 38.479 12.847 -46.941 1.00 33.19 ? 180 LEU A CD2 1 P41068 UNP 180 L +ATOM 1410 N N . PRO A 1 181 ? 41.434 8.314 -45.428 1.00 36.12 ? 181 PRO A N 1 P41068 UNP 181 P +ATOM 1411 C CA . PRO A 1 181 ? 42.771 7.902 -45.823 1.00 36.12 ? 181 PRO A CA 1 P41068 UNP 181 P +ATOM 1412 C C . PRO A 1 181 ? 43.356 9.018 -46.695 1.00 36.12 ? 181 PRO A C 1 P41068 UNP 181 P +ATOM 1413 C CB . PRO A 1 181 ? 42.601 6.567 -46.552 1.00 36.12 ? 181 PRO A CB 1 P41068 UNP 181 P +ATOM 1414 O O . PRO A 1 181 ? 42.771 9.398 -47.705 1.00 36.12 ? 181 PRO A O 1 P41068 UNP 181 P +ATOM 1415 C CG . PRO A 1 181 ? 41.166 6.613 -47.077 1.00 36.12 ? 181 PRO A CG 1 P41068 UNP 181 P +ATOM 1416 C CD . PRO A 1 181 ? 40.421 7.503 -46.084 1.00 36.12 ? 181 PRO A CD 1 P41068 UNP 181 P +ATOM 1417 N N . ASP A 1 182 ? 44.467 9.592 -46.242 1.00 38.88 ? 182 ASP A N 1 P41068 UNP 182 D +ATOM 1418 C CA . ASP A 1 182 ? 45.228 10.590 -46.986 1.00 38.88 ? 182 ASP A CA 1 P41068 UNP 182 D +ATOM 1419 C C . ASP A 1 182 ? 45.806 9.890 -48.228 1.00 38.88 ? 182 ASP A C 1 P41068 UNP 182 D +ATOM 1420 C CB . ASP A 1 182 ? 46.298 11.172 -46.035 1.00 38.88 ? 182 ASP A CB 1 P41068 UNP 182 D +ATOM 1421 O O . ASP A 1 182 ? 46.645 8.997 -48.105 1.00 38.88 ? 182 ASP A O 1 P41068 UNP 182 D +ATOM 1422 C CG . ASP A 1 182 ? 46.844 12.550 -46.429 1.00 38.88 ? 182 ASP A CG 1 P41068 UNP 182 D +ATOM 1423 O OD1 . ASP A 1 182 ? 46.631 12.980 -47.585 1.00 38.88 ? 182 ASP A OD1 1 P41068 UNP 182 D +ATOM 1424 O OD2 . ASP A 1 182 ? 47.489 13.177 -45.558 1.00 38.88 ? 182 ASP A OD2 1 P41068 UNP 182 D +ATOM 1425 N N . ASP A 1 183 ? 45.321 10.240 -49.421 1.00 43.84 ? 183 ASP A N 1 P41068 UNP 183 D +ATOM 1426 C CA . ASP A 1 183 ? 45.607 9.560 -50.701 1.00 43.84 ? 183 ASP A CA 1 P41068 UNP 183 D +ATOM 1427 C C . ASP A 1 183 ? 47.079 9.702 -51.162 1.00 43.84 ? 183 ASP A C 1 P41068 UNP 183 D +ATOM 1428 C CB . ASP A 1 183 ? 44.598 10.070 -51.749 1.00 43.84 ? 183 ASP A CB 1 P41068 UNP 183 D +ATOM 1429 O O . ASP A 1 183 ? 47.468 9.326 -52.267 1.00 43.84 ? 183 ASP A O 1 P41068 UNP 183 D +ATOM 1430 C CG . ASP A 1 183 ? 44.382 9.133 -52.948 1.00 43.84 ? 183 ASP A CG 1 P41068 UNP 183 D +ATOM 1431 O OD1 . ASP A 1 183 ? 44.678 7.921 -52.826 1.00 43.84 ? 183 ASP A OD1 1 P41068 UNP 183 D +ATOM 1432 O OD2 . ASP A 1 183 ? 43.863 9.642 -53.966 1.00 43.84 ? 183 ASP A OD2 1 P41068 UNP 183 D +ATOM 1433 N N . ARG A 1 184 ? 47.956 10.233 -50.301 1.00 45.72 ? 184 ARG A N 1 P41068 UNP 184 R +ATOM 1434 C CA . ARG A 1 184 ? 49.399 10.312 -50.558 1.00 45.72 ? 184 ARG A CA 1 P41068 UNP 184 R +ATOM 1435 C C . ARG A 1 184 ? 50.115 8.968 -50.463 1.00 45.72 ? 184 ARG A C 1 P41068 UNP 184 R +ATOM 1436 C CB . ARG A 1 184 ? 50.054 11.346 -49.639 1.00 45.72 ? 184 ARG A CB 1 P41068 UNP 184 R +ATOM 1437 O O . ARG A 1 184 ? 51.213 8.859 -50.998 1.00 45.72 ? 184 ARG A O 1 P41068 UNP 184 R +ATOM 1438 C CG . ARG A 1 184 ? 49.666 12.764 -50.061 1.00 45.72 ? 184 ARG A CG 1 P41068 UNP 184 R +ATOM 1439 C CD . ARG A 1 184 ? 50.427 13.773 -49.205 1.00 45.72 ? 184 ARG A CD 1 P41068 UNP 184 R +ATOM 1440 N NE . ARG A 1 184 ? 49.890 15.126 -49.402 1.00 45.72 ? 184 ARG A NE 1 P41068 UNP 184 R +ATOM 1441 N NH1 . ARG A 1 184 ? 51.035 16.125 -47.690 1.00 45.72 ? 184 ARG A NH1 1 P41068 UNP 184 R +ATOM 1442 N NH2 . ARG A 1 184 ? 49.537 17.302 -48.857 1.00 45.72 ? 184 ARG A NH2 1 P41068 UNP 184 R +ATOM 1443 C CZ . ARG A 1 184 ? 50.156 16.174 -48.652 1.00 45.72 ? 184 ARG A CZ 1 P41068 UNP 184 R +ATOM 1444 N N . THR A 1 185 ? 49.539 7.945 -49.832 1.00 40.38 ? 185 THR A N 1 P41068 UNP 185 T +ATOM 1445 C CA . THR A 1 185 ? 50.200 6.631 -49.711 1.00 40.38 ? 185 THR A CA 1 P41068 UNP 185 T +ATOM 1446 C C . THR A 1 185 ? 49.919 5.656 -50.857 1.00 40.38 ? 185 THR A C 1 P41068 UNP 185 T +ATOM 1447 C CB . THR A 1 185 ? 49.962 5.977 -48.341 1.00 40.38 ? 185 THR A CB 1 P41068 UNP 185 T +ATOM 1448 O O . THR A 1 185 ? 50.579 4.623 -50.901 1.00 40.38 ? 185 THR A O 1 P41068 UNP 185 T +ATOM 1449 C CG2 . THR A 1 185 ? 50.906 6.555 -47.286 1.00 40.38 ? 185 THR A CG2 1 P41068 UNP 185 T +ATOM 1450 O OG1 . THR A 1 185 ? 48.648 6.211 -47.894 1.00 40.38 ? 185 THR A OG1 1 P41068 UNP 185 T +ATOM 1451 N N . ASN A 1 186 ? 49.040 5.967 -51.822 1.00 38.94 ? 186 ASN A N 1 P41068 UNP 186 N +ATOM 1452 C CA . ASN A 1 186 ? 48.788 5.084 -52.979 1.00 38.94 ? 186 ASN A CA 1 P41068 UNP 186 N +ATOM 1453 C C . ASN A 1 186 ? 49.383 5.580 -54.314 1.00 38.94 ? 186 ASN A C 1 P41068 UNP 186 N +ATOM 1454 C CB . ASN A 1 186 ? 47.295 4.738 -53.069 1.00 38.94 ? 186 ASN A CB 1 P41068 UNP 186 N +ATOM 1455 O O . ASN A 1 186 ? 49.049 5.081 -55.385 1.00 38.94 ? 186 ASN A O 1 P41068 UNP 186 N +ATOM 1456 C CG . ASN A 1 186 ? 47.041 3.491 -53.906 1.00 38.94 ? 186 ASN A CG 1 P41068 UNP 186 N +ATOM 1457 N ND2 . ASN A 1 186 ? 45.799 3.223 -54.227 1.00 38.94 ? 186 ASN A ND2 1 P41068 UNP 186 N +ATOM 1458 O OD1 . ASN A 1 186 ? 47.916 2.710 -54.237 1.00 38.94 ? 186 ASN A OD1 1 P41068 UNP 186 N +ATOM 1459 N N . ARG A 1 187 ? 50.303 6.547 -54.283 1.00 41.34 ? 187 ARG A N 1 P41068 UNP 187 R +ATOM 1460 C CA . ARG A 1 187 ? 51.103 6.916 -55.461 1.00 41.34 ? 187 ARG A CA 1 P41068 UNP 187 R +ATOM 1461 C C . ARG A 1 187 ? 52.575 6.593 -55.240 1.00 41.34 ? 187 ARG A C 1 P41068 UNP 187 R +ATOM 1462 C CB . ARG A 1 187 ? 50.888 8.390 -55.848 1.00 41.34 ? 187 ARG A CB 1 P41068 UNP 187 R +ATOM 1463 O O . ARG A 1 187 ? 53.378 7.515 -55.213 1.00 41.34 ? 187 ARG A O 1 P41068 UNP 187 R +ATOM 1464 C CG . ARG A 1 187 ? 49.527 8.673 -56.490 1.00 41.34 ? 187 ARG A CG 1 P41068 UNP 187 R +ATOM 1465 C CD . ARG A 1 187 ? 49.545 10.115 -57.010 1.00 41.34 ? 187 ARG A CD 1 P41068 UNP 187 R +ATOM 1466 N NE . ARG A 1 187 ? 48.278 10.478 -57.666 1.00 41.34 ? 187 ARG A NE 1 P41068 UNP 187 R +ATOM 1467 N NH1 . ARG A 1 187 ? 48.799 12.670 -58.095 1.00 41.34 ? 187 ARG A NH1 1 P41068 UNP 187 R +ATOM 1468 N NH2 . ARG A 1 187 ? 46.807 11.865 -58.706 1.00 41.34 ? 187 ARG A NH2 1 P41068 UNP 187 R +ATOM 1469 C CZ . ARG A 1 187 ? 47.968 11.664 -58.151 1.00 41.34 ? 187 ARG A CZ 1 P41068 UNP 187 R +ATOM 1470 N N . ASN A 1 188 ? 52.941 5.322 -55.042 1.00 40.06 ? 188 ASN A N 1 P41068 UNP 188 N +ATOM 1471 C CA . ASN A 1 188 ? 54.333 4.931 -55.319 1.00 40.06 ? 188 ASN A CA 1 P41068 UNP 188 N +ATOM 1472 C C . ASN A 1 188 ? 54.637 3.437 -55.537 1.00 40.06 ? 188 ASN A C 1 P41068 UNP 188 N +ATOM 1473 C CB . ASN A 1 188 ? 55.331 5.554 -54.306 1.00 40.06 ? 188 ASN A CB 1 P41068 UNP 188 N +ATOM 1474 O O . ASN A 1 188 ? 55.751 3.011 -55.266 1.00 40.06 ? 188 ASN A O 1 P41068 UNP 188 N +ATOM 1475 C CG . ASN A 1 188 ? 56.562 6.099 -55.020 1.00 40.06 ? 188 ASN A CG 1 P41068 UNP 188 N +ATOM 1476 N ND2 . ASN A 1 188 ? 57.477 6.695 -54.295 1.00 40.06 ? 188 ASN A ND2 1 P41068 UNP 188 N +ATOM 1477 O OD1 . ASN A 1 188 ? 56.726 6.039 -56.225 1.00 40.06 ? 188 ASN A OD1 1 P41068 UNP 188 N +ATOM 1478 N N . ASN A 1 189 ? 53.700 2.634 -56.048 1.00 38.25 ? 189 ASN A N 1 P41068 UNP 189 N +ATOM 1479 C CA . ASN A 1 189 ? 54.046 1.321 -56.612 1.00 38.25 ? 189 ASN A CA 1 P41068 UNP 189 N +ATOM 1480 C C . ASN A 1 189 ? 53.581 1.283 -58.068 1.00 38.25 ? 189 ASN A C 1 P41068 UNP 189 N +ATOM 1481 C CB . ASN A 1 189 ? 53.498 0.173 -55.740 1.00 38.25 ? 189 ASN A CB 1 P41068 UNP 189 N +ATOM 1482 O O . ASN A 1 189 ? 52.553 0.696 -58.394 1.00 38.25 ? 189 ASN A O 1 P41068 UNP 189 N +ATOM 1483 C CG . ASN A 1 189 ? 54.498 -0.352 -54.721 1.00 38.25 ? 189 ASN A CG 1 P41068 UNP 189 N +ATOM 1484 N ND2 . ASN A 1 189 ? 54.364 -1.594 -54.322 1.00 38.25 ? 189 ASN A ND2 1 P41068 UNP 189 N +ATOM 1485 O OD1 . ASN A 1 189 ? 55.408 0.304 -54.259 1.00 38.25 ? 189 ASN A OD1 1 P41068 UNP 189 N +ATOM 1486 N N . GLY A 1 190 ? 54.300 1.991 -58.935 1.00 40.22 ? 190 GLY A N 1 P41068 UNP 190 G +ATOM 1487 C CA . GLY A 1 190 ? 53.934 2.102 -60.342 1.00 40.22 ? 190 GLY A CA 1 P41068 UNP 190 G +ATOM 1488 C C . GLY A 1 190 ? 54.975 2.824 -61.185 1.00 40.22 ? 190 GLY A C 1 P41068 UNP 190 G +ATOM 1489 O O . GLY A 1 190 ? 54.609 3.725 -61.924 1.00 40.22 ? 190 GLY A O 1 P41068 UNP 190 G +ATOM 1490 N N . ASP A 1 191 ? 56.247 2.447 -61.074 1.00 41.81 ? 191 ASP A N 1 P41068 UNP 191 D +ATOM 1491 C CA . ASP A 1 191 ? 57.229 2.686 -62.140 1.00 41.81 ? 191 ASP A CA 1 P41068 UNP 191 D +ATOM 1492 C C . ASP A 1 191 ? 57.940 1.347 -62.376 1.00 41.81 ? 191 ASP A C 1 P41068 UNP 191 D +ATOM 1493 C CB . ASP A 1 191 ? 58.176 3.856 -61.794 1.00 41.81 ? 191 ASP A CB 1 P41068 UNP 191 D +ATOM 1494 O O . ASP A 1 191 ? 58.639 0.837 -61.507 1.00 41.81 ? 191 ASP A O 1 P41068 UNP 191 D +ATOM 1495 C CG . ASP A 1 191 ? 58.088 5.045 -62.770 1.00 41.81 ? 191 ASP A CG 1 P41068 UNP 191 D +ATOM 1496 O OD1 . ASP A 1 191 ? 57.522 4.898 -63.881 1.00 41.81 ? 191 ASP A OD1 1 P41068 UNP 191 D +ATOM 1497 O OD2 . ASP A 1 191 ? 58.615 6.118 -62.404 1.00 41.81 ? 191 ASP A OD2 1 P41068 UNP 191 D +ATOM 1498 N N . LYS A 1 192 ? 57.421 0.560 -63.321 1.00 43.88 ? 192 LYS A N 1 P41068 UNP 192 K +ATOM 1499 C CA . LYS A 1 192 ? 57.805 0.506 -64.743 1.00 43.88 ? 192 LYS A CA 1 P41068 UNP 192 K +ATOM 1500 C C . LYS A 1 192 ? 58.988 -0.425 -64.968 1.00 43.88 ? 192 LYS A C 1 P41068 UNP 192 K +ATOM 1501 C CB . LYS A 1 192 ? 57.989 1.863 -65.439 1.00 43.88 ? 192 LYS A CB 1 P41068 UNP 192 K +ATOM 1502 O O . LYS A 1 192 ? 60.152 -0.045 -64.992 1.00 43.88 ? 192 LYS A O 1 P41068 UNP 192 K +ATOM 1503 C CG . LYS A 1 192 ? 56.662 2.406 -65.978 1.00 43.88 ? 192 LYS A CG 1 P41068 UNP 192 K +ATOM 1504 C CD . LYS A 1 192 ? 56.944 3.612 -66.869 1.00 43.88 ? 192 LYS A CD 1 P41068 UNP 192 K +ATOM 1505 C CE . LYS A 1 192 ? 55.627 4.254 -67.287 1.00 43.88 ? 192 LYS A CE 1 P41068 UNP 192 K +ATOM 1506 N NZ . LYS A 1 192 ? 55.906 5.487 -68.049 1.00 43.88 ? 192 LYS A NZ 1 P41068 UNP 192 K +ATOM 1507 N N . ASN A 1 193 ? 58.606 -1.673 -65.202 1.00 37.00 ? 193 ASN A N 1 P41068 UNP 193 N +ATOM 1508 C CA . ASN A 1 193 ? 59.416 -2.692 -65.837 1.00 37.00 ? 193 ASN A CA 1 P41068 UNP 193 N +ATOM 1509 C C . ASN A 1 193 ? 59.250 -2.519 -67.356 1.00 37.00 ? 193 ASN A C 1 P41068 UNP 193 N +ATOM 1510 C CB . ASN A 1 193 ? 58.908 -4.077 -65.370 1.00 37.00 ? 193 ASN A CB 1 P41068 UNP 193 N +ATOM 1511 O O . ASN A 1 193 ? 58.382 -3.162 -67.933 1.00 37.00 ? 193 ASN A O 1 P41068 UNP 193 N +ATOM 1512 C CG . ASN A 1 193 ? 58.738 -4.235 -63.873 1.00 37.00 ? 193 ASN A CG 1 P41068 UNP 193 N +ATOM 1513 N ND2 . ASN A 1 193 ? 57.810 -5.066 -63.456 1.00 37.00 ? 193 ASN A ND2 1 P41068 UNP 193 N +ATOM 1514 O OD1 . ASN A 1 193 ? 59.398 -3.629 -63.054 1.00 37.00 ? 193 ASN A OD1 1 P41068 UNP 193 N +ATOM 1515 N N . GLU A 1 194 ? 60.012 -1.638 -68.005 1.00 43.47 ? 194 GLU A N 1 P41068 UNP 194 E +ATOM 1516 C CA . GLU A 1 194 ? 60.032 -1.544 -69.476 1.00 43.47 ? 194 GLU A CA 1 P41068 UNP 194 E +ATOM 1517 C C . GLU A 1 194 ? 61.446 -1.201 -69.972 1.00 43.47 ? 194 GLU A C 1 P41068 UNP 194 E +ATOM 1518 C CB . GLU A 1 194 ? 58.977 -0.553 -70.023 1.00 43.47 ? 194 GLU A CB 1 P41068 UNP 194 E +ATOM 1519 O O . GLU A 1 194 ? 61.750 -0.061 -70.302 1.00 43.47 ? 194 GLU A O 1 P41068 UNP 194 E +ATOM 1520 C CG . GLU A 1 194 ? 57.523 -1.022 -69.832 1.00 43.47 ? 194 GLU A CG 1 P41068 UNP 194 E +ATOM 1521 C CD . GLU A 1 194 ? 56.488 -0.154 -70.561 1.00 43.47 ? 194 GLU A CD 1 P41068 UNP 194 E +ATOM 1522 O OE1 . GLU A 1 194 ? 55.485 -0.731 -71.040 1.00 43.47 ? 194 GLU A OE1 1 P41068 UNP 194 E +ATOM 1523 O OE2 . GLU A 1 194 ? 56.653 1.090 -70.571 1.00 43.47 ? 194 GLU A OE2 1 P41068 UNP 194 E +ATOM 1524 N N . HIS A 1 195 ? 62.319 -2.207 -70.036 1.00 48.69 ? 195 HIS A N 1 P41068 UNP 195 H +ATOM 1525 C CA . HIS A 1 195 ? 63.422 -2.229 -70.996 1.00 48.69 ? 195 HIS A CA 1 P41068 UNP 195 H +ATOM 1526 C C . HIS A 1 195 ? 63.386 -3.590 -71.690 1.00 48.69 ? 195 HIS A C 1 P41068 UNP 195 H +ATOM 1527 C CB . HIS A 1 195 ? 64.770 -1.890 -70.342 1.00 48.69 ? 195 HIS A CB 1 P41068 UNP 195 H +ATOM 1528 O O . HIS A 1 195 ? 63.834 -4.598 -71.142 1.00 48.69 ? 195 HIS A O 1 P41068 UNP 195 H +ATOM 1529 C CG . HIS A 1 195 ? 64.929 -0.412 -70.066 1.00 48.69 ? 195 HIS A CG 1 P41068 UNP 195 H +ATOM 1530 C CD2 . HIS A 1 195 ? 65.083 0.190 -68.847 1.00 48.69 ? 195 HIS A CD2 1 P41068 UNP 195 H +ATOM 1531 N ND1 . HIS A 1 195 ? 64.891 0.593 -71.007 1.00 48.69 ? 195 HIS A ND1 1 P41068 UNP 195 H +ATOM 1532 C CE1 . HIS A 1 195 ? 65.003 1.768 -70.367 1.00 48.69 ? 195 HIS A CE1 1 P41068 UNP 195 H +ATOM 1533 N NE2 . HIS A 1 195 ? 65.148 1.575 -69.047 1.00 48.69 ? 195 HIS A NE2 1 P41068 UNP 195 H +ATOM 1534 N N . ALA A 1 196 ? 62.718 -3.585 -72.844 1.00 43.62 ? 196 ALA A N 1 P41068 UNP 196 A +ATOM 1535 C CA . ALA A 1 196 ? 62.882 -4.559 -73.912 1.00 43.62 ? 196 ALA A CA 1 P41068 UNP 196 A +ATOM 1536 C C . ALA A 1 196 ? 64.227 -4.338 -74.617 1.00 43.62 ? 196 ALA A C 1 P41068 UNP 196 A +ATOM 1537 C CB . ALA A 1 196 ? 61.700 -4.409 -74.882 1.00 43.62 ? 196 ALA A CB 1 P41068 UNP 196 A +ATOM 1538 O O . ALA A 1 196 ? 64.676 -3.166 -74.651 1.00 43.62 ? 196 ALA A O 1 P41068 UNP 196 A +ATOM 1539 O OXT . ALA A 1 196 ? 64.751 -5.353 -75.118 1.00 43.62 ? 196 ALA A OXT 1 P41068 UNP 196 A +# diff --git a/src/test/resources/cif/AF-Q76EI6-F1-model_v6.cif b/src/test/resources/cif/AF-Q76EI6-F1-model_v6.cif new file mode 100644 index 000000000..1044561a1 --- /dev/null +++ b/src/test/resources/cif/AF-Q76EI6-F1-model_v6.cif @@ -0,0 +1,4086 @@ +data_AF-Q76EI6-F1 +# +_entry.id AF-Q76EI6-F1 +# +loop_ +_atom_type.symbol +C +N +O +S +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +"Jumper, John" 1 +"Evans, Richard" 2 +"Pritzel, Alexander" 3 +"Green, Tim" 4 +"Figurnov, Michael" 5 +"Ronneberger, Olaf" 6 +"Tunyasuvunakool, Kathryn" 7 +"Bates, Russ" 8 +"Zidek, Augustin" 9 +"Potapenko, Anna" 10 +"Bridgland, Alex" 11 +"Meyer, Clemens" 12 +"Kohl, Simon A. A." 13 +"Ballard, Andrew J." 14 +"Cowie, Andrew" 15 +"Romera-Paredes, Bernardino" 16 +"Nikolov, Stanislav" 17 +"Jain, Rishub" 18 +"Adler, Jonas" 19 +"Back, Trevor" 20 +"Petersen, Stig" 21 +"Reiman, David" 22 +"Clancy, Ellen" 23 +"Zielinski, Michal" 24 +"Steinegger, Martin" 25 +"Pacholska, Michalina" 26 +"Berghammer, Tamas" 27 +"Silver, David" 28 +"Vinyals, Oriol" 29 +"Senior, Andrew W." 30 +"Kavukcuoglu, Koray" 31 +"Kohli, Pushmeet" 32 +"Hassabis, Demis" 33 +# +_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic +_audit_conform.dict_name mmcif_ma.dic +_audit_conform.dict_version 1.3.9 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.type +"C3 H7 N O2" 89.093 ALA y ALANINE ? "L-PEPTIDE LINKING" +"C6 H15 N4 O2" 175.209 ARG y ARGININE ? "L-PEPTIDE LINKING" +"C4 H8 N2 O3" 132.118 ASN y ASPARAGINE ? "L-PEPTIDE LINKING" +"C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" ? "L-PEPTIDE LINKING" +"C3 H7 N O2 S" 121.158 CYS y CYSTEINE ? "L-PEPTIDE LINKING" +"C5 H10 N2 O3" 146.144 GLN y GLUTAMINE ? "L-PEPTIDE LINKING" +"C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" ? "L-PEPTIDE LINKING" +"C2 H5 N O2" 75.067 GLY y GLYCINE ? "PEPTIDE LINKING" +"C6 H10 N3 O2" 156.162 HIS y HISTIDINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 ILE y ISOLEUCINE ? "L-PEPTIDE LINKING" +"C6 H13 N O2" 131.173 LEU y LEUCINE ? "L-PEPTIDE LINKING" +"C6 H15 N2 O2" 147.195 LYS y LYSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2 S" 149.211 MET y METHIONINE ? "L-PEPTIDE LINKING" +"C9 H11 N O2" 165.189 PHE y PHENYLALANINE ? "L-PEPTIDE LINKING" +"C5 H9 N O2" 115.130 PRO y PROLINE ? "L-PEPTIDE LINKING" +"C3 H7 N O3" 105.093 SER y SERINE ? "L-PEPTIDE LINKING" +"C4 H9 N O3" 119.119 THR y THREONINE ? "L-PEPTIDE LINKING" +"C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN ? "L-PEPTIDE LINKING" +"C9 H11 N O3" 181.189 TYR y TYROSINE ? "L-PEPTIDE LINKING" +"C5 H11 N O2" 117.146 VAL y VALINE ? "L-PEPTIDE LINKING" +# +_citation.book_publisher ? +_citation.country UK +_citation.id primary +_citation.journal_full Nature +_citation.journal_id_ASTM NATUAS +_citation.journal_id_CSD 0006 +_citation.journal_id_ISSN 0028-0836 +_citation.journal_volume 596 +_citation.page_first 583 +_citation.page_last 589 +_citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 +_citation.pdbx_database_id_PubMed 34265844 +_citation.title "Highly accurate protein structure prediction with AlphaFold" +_citation.year 2021 +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary "Jumper, John" 1 +primary "Evans, Richard" 2 +primary "Pritzel, Alexander" 3 +primary "Green, Tim" 4 +primary "Figurnov, Michael" 5 +primary "Ronneberger, Olaf" 6 +primary "Tunyasuvunakool, Kathryn" 7 +primary "Bates, Russ" 8 +primary "Zidek, Augustin" 9 +primary "Potapenko, Anna" 10 +primary "Bridgland, Alex" 11 +primary "Meyer, Clemens" 12 +primary "Kohl, Simon A. A." 13 +primary "Ballard, Andrew J." 14 +primary "Cowie, Andrew" 15 +primary "Romera-Paredes, Bernardino" 16 +primary "Nikolov, Stanislav" 17 +primary "Jain, Rishub" 18 +primary "Adler, Jonas" 19 +primary "Back, Trevor" 20 +primary "Petersen, Stig" 21 +primary "Reiman, David" 22 +primary "Clancy, Ellen" 23 +primary "Zielinski, Michal" 24 +primary "Steinegger, Martin" 25 +primary "Pacholska, Michalina" 26 +primary "Berghammer, Tamas" 27 +primary "Silver, David" 28 +primary "Vinyals, Oriol" 29 +primary "Senior, Andrew W." 30 +primary "Kavukcuoglu, Koray" 31 +primary "Kohli, Pushmeet" 32 +primary "Hassabis, Demis" 33 +# +_database_2.database_code AF-Q76EI6-F1 +_database_2.database_id AlphaFoldDB +# +_entity.details ? +_entity.formula_weight ? +_entity.id 1 +_entity.pdbx_description "Free fatty acid receptor 2" +_entity.pdbx_ec ? +_entity.pdbx_fragment ? +_entity.pdbx_mutation ? +_entity.pdbx_number_of_molecules 1 +_entity.src_method man +_entity.type polymer +# +_entity_poly.entity_id 1 +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code +;MTPDWHSSLILTAYILIFLTGLPANLLALRAFVSRVRQPQPAPVHILLLNLTLADLLLLLLLPFRIVEAASNFRWYLPKI +VCALTGFGFYSSIYCSTWLLAGISIERYLGVAFPVQYKLSRRPLYGVIAALVAWIMSFGHCTIVIIVQYLNSTEQVGTEN +QITCYENFTQAQLDVVLPVRLELCLVLFFVPMTVTIFCYWRFVWIMLTQPHVGAQRRRRAVGLAVVTLLNFLVCFGPYNM +SHLVGFHLRQSPSWRVEAVVFSSLNASLDPLLFYFSSSVVRRAFGKGLLLLRNPGSSMLGRGAEETVEGTKTDRGGSQTE +GAQSSDFVTE +; +_entity_poly.pdbx_seq_one_letter_code_can +;MTPDWHSSLILTAYILIFLTGLPANLLALRAFVSRVRQPQPAPVHILLLNLTLADLLLLLLLPFRIVEAASNFRWYLPKI +VCALTGFGFYSSIYCSTWLLAGISIERYLGVAFPVQYKLSRRPLYGVIAALVAWIMSFGHCTIVIIVQYLNSTEQVGTEN +QITCYENFTQAQLDVVLPVRLELCLVLFFVPMTVTIFCYWRFVWIMLTQPHVGAQRRRRAVGLAVVTLLNFLVCFGPYNM +SHLVGFHLRQSPSWRVEAVVFSSLNASLDPLLFYFSSSVVRRAFGKGLLLLRNPGSSMLGRGAEETVEGTKTDRGGSQTE +GAQSSDFVTE +; +_entity_poly.pdbx_strand_id A +_entity_poly.type polypeptide(L) +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n MET 1 +1 n THR 2 +1 n PRO 3 +1 n ASP 4 +1 n TRP 5 +1 n HIS 6 +1 n SER 7 +1 n SER 8 +1 n LEU 9 +1 n ILE 10 +1 n LEU 11 +1 n THR 12 +1 n ALA 13 +1 n TYR 14 +1 n ILE 15 +1 n LEU 16 +1 n ILE 17 +1 n PHE 18 +1 n LEU 19 +1 n THR 20 +1 n GLY 21 +1 n LEU 22 +1 n PRO 23 +1 n ALA 24 +1 n ASN 25 +1 n LEU 26 +1 n LEU 27 +1 n ALA 28 +1 n LEU 29 +1 n ARG 30 +1 n ALA 31 +1 n PHE 32 +1 n VAL 33 +1 n SER 34 +1 n ARG 35 +1 n VAL 36 +1 n ARG 37 +1 n GLN 38 +1 n PRO 39 +1 n GLN 40 +1 n PRO 41 +1 n ALA 42 +1 n PRO 43 +1 n VAL 44 +1 n HIS 45 +1 n ILE 46 +1 n LEU 47 +1 n LEU 48 +1 n LEU 49 +1 n ASN 50 +1 n LEU 51 +1 n THR 52 +1 n LEU 53 +1 n ALA 54 +1 n ASP 55 +1 n LEU 56 +1 n LEU 57 +1 n LEU 58 +1 n LEU 59 +1 n LEU 60 +1 n LEU 61 +1 n LEU 62 +1 n PRO 63 +1 n PHE 64 +1 n ARG 65 +1 n ILE 66 +1 n VAL 67 +1 n GLU 68 +1 n ALA 69 +1 n ALA 70 +1 n SER 71 +1 n ASN 72 +1 n PHE 73 +1 n ARG 74 +1 n TRP 75 +1 n TYR 76 +1 n LEU 77 +1 n PRO 78 +1 n LYS 79 +1 n ILE 80 +1 n VAL 81 +1 n CYS 82 +1 n ALA 83 +1 n LEU 84 +1 n THR 85 +1 n GLY 86 +1 n PHE 87 +1 n GLY 88 +1 n PHE 89 +1 n TYR 90 +1 n SER 91 +1 n SER 92 +1 n ILE 93 +1 n TYR 94 +1 n CYS 95 +1 n SER 96 +1 n THR 97 +1 n TRP 98 +1 n LEU 99 +1 n LEU 100 +1 n ALA 101 +1 n GLY 102 +1 n ILE 103 +1 n SER 104 +1 n ILE 105 +1 n GLU 106 +1 n ARG 107 +1 n TYR 108 +1 n LEU 109 +1 n GLY 110 +1 n VAL 111 +1 n ALA 112 +1 n PHE 113 +1 n PRO 114 +1 n VAL 115 +1 n GLN 116 +1 n TYR 117 +1 n LYS 118 +1 n LEU 119 +1 n SER 120 +1 n ARG 121 +1 n ARG 122 +1 n PRO 123 +1 n LEU 124 +1 n TYR 125 +1 n GLY 126 +1 n VAL 127 +1 n ILE 128 +1 n ALA 129 +1 n ALA 130 +1 n LEU 131 +1 n VAL 132 +1 n ALA 133 +1 n TRP 134 +1 n ILE 135 +1 n MET 136 +1 n SER 137 +1 n PHE 138 +1 n GLY 139 +1 n HIS 140 +1 n CYS 141 +1 n THR 142 +1 n ILE 143 +1 n VAL 144 +1 n ILE 145 +1 n ILE 146 +1 n VAL 147 +1 n GLN 148 +1 n TYR 149 +1 n LEU 150 +1 n ASN 151 +1 n SER 152 +1 n THR 153 +1 n GLU 154 +1 n GLN 155 +1 n VAL 156 +1 n GLY 157 +1 n THR 158 +1 n GLU 159 +1 n ASN 160 +1 n GLN 161 +1 n ILE 162 +1 n THR 163 +1 n CYS 164 +1 n TYR 165 +1 n GLU 166 +1 n ASN 167 +1 n PHE 168 +1 n THR 169 +1 n GLN 170 +1 n ALA 171 +1 n GLN 172 +1 n LEU 173 +1 n ASP 174 +1 n VAL 175 +1 n VAL 176 +1 n LEU 177 +1 n PRO 178 +1 n VAL 179 +1 n ARG 180 +1 n LEU 181 +1 n GLU 182 +1 n LEU 183 +1 n CYS 184 +1 n LEU 185 +1 n VAL 186 +1 n LEU 187 +1 n PHE 188 +1 n PHE 189 +1 n VAL 190 +1 n PRO 191 +1 n MET 192 +1 n THR 193 +1 n VAL 194 +1 n THR 195 +1 n ILE 196 +1 n PHE 197 +1 n CYS 198 +1 n TYR 199 +1 n TRP 200 +1 n ARG 201 +1 n PHE 202 +1 n VAL 203 +1 n TRP 204 +1 n ILE 205 +1 n MET 206 +1 n LEU 207 +1 n THR 208 +1 n GLN 209 +1 n PRO 210 +1 n HIS 211 +1 n VAL 212 +1 n GLY 213 +1 n ALA 214 +1 n GLN 215 +1 n ARG 216 +1 n ARG 217 +1 n ARG 218 +1 n ARG 219 +1 n ALA 220 +1 n VAL 221 +1 n GLY 222 +1 n LEU 223 +1 n ALA 224 +1 n VAL 225 +1 n VAL 226 +1 n THR 227 +1 n LEU 228 +1 n LEU 229 +1 n ASN 230 +1 n PHE 231 +1 n LEU 232 +1 n VAL 233 +1 n CYS 234 +1 n PHE 235 +1 n GLY 236 +1 n PRO 237 +1 n TYR 238 +1 n ASN 239 +1 n MET 240 +1 n SER 241 +1 n HIS 242 +1 n LEU 243 +1 n VAL 244 +1 n GLY 245 +1 n PHE 246 +1 n HIS 247 +1 n LEU 248 +1 n ARG 249 +1 n GLN 250 +1 n SER 251 +1 n PRO 252 +1 n SER 253 +1 n TRP 254 +1 n ARG 255 +1 n VAL 256 +1 n GLU 257 +1 n ALA 258 +1 n VAL 259 +1 n VAL 260 +1 n PHE 261 +1 n SER 262 +1 n SER 263 +1 n LEU 264 +1 n ASN 265 +1 n ALA 266 +1 n SER 267 +1 n LEU 268 +1 n ASP 269 +1 n PRO 270 +1 n LEU 271 +1 n LEU 272 +1 n PHE 273 +1 n TYR 274 +1 n PHE 275 +1 n SER 276 +1 n SER 277 +1 n SER 278 +1 n VAL 279 +1 n VAL 280 +1 n ARG 281 +1 n ARG 282 +1 n ALA 283 +1 n PHE 284 +1 n GLY 285 +1 n LYS 286 +1 n GLY 287 +1 n LEU 288 +1 n LEU 289 +1 n LEU 290 +1 n LEU 291 +1 n ARG 292 +1 n ASN 293 +1 n PRO 294 +1 n GLY 295 +1 n SER 296 +1 n SER 297 +1 n MET 298 +1 n LEU 299 +1 n GLY 300 +1 n ARG 301 +1 n GLY 302 +1 n ALA 303 +1 n GLU 304 +1 n GLU 305 +1 n THR 306 +1 n VAL 307 +1 n GLU 308 +1 n GLY 309 +1 n THR 310 +1 n LYS 311 +1 n THR 312 +1 n ASP 313 +1 n ARG 314 +1 n GLY 315 +1 n GLY 316 +1 n SER 317 +1 n GLN 318 +1 n THR 319 +1 n GLU 320 +1 n GLY 321 +1 n ALA 322 +1 n GLN 323 +1 n SER 324 +1 n SER 325 +1 n ASP 326 +1 n PHE 327 +1 n VAL 328 +1 n THR 329 +1 n GLU 330 +# +loop_ +_ma_data.content_type +_ma_data.id +_ma_data.name +"model coordinates" 1 Model +"input structure" 2 "Input structure" +# +_ma_model_list.data_id 1 +_ma_model_list.model_group_id 1 +_ma_model_list.model_group_name "AlphaFold Monomer v2.0 model" +_ma_model_list.model_id 1 +_ma_model_list.model_name "Top ranked model" +_ma_model_list.model_type "Ab initio model" +_ma_model_list.ordinal_id 1 +# +loop_ +_ma_protocol_step.method_type +_ma_protocol_step.ordinal_id +_ma_protocol_step.protocol_id +_ma_protocol_step.step_id +"coevolution MSA" 1 1 1 +"template search" 2 1 2 +modeling 3 1 3 +# +loop_ +_ma_qa_metric.id +_ma_qa_metric.mode +_ma_qa_metric.name +_ma_qa_metric.software_group_id +_ma_qa_metric.type +1 global pLDDT 1 pLDDT +2 local pLDDT 1 pLDDT +# +_ma_qa_metric_global.metric_id 1 +_ma_qa_metric_global.metric_value 86.02 +_ma_qa_metric_global.model_id 1 +_ma_qa_metric_global.ordinal_id 1 +# +loop_ +_ma_qa_metric_local.label_asym_id +_ma_qa_metric_local.label_comp_id +_ma_qa_metric_local.label_seq_id +_ma_qa_metric_local.metric_id +_ma_qa_metric_local.metric_value +_ma_qa_metric_local.model_id +_ma_qa_metric_local.ordinal_id +A MET 1 2 57.47 1 1 +A THR 2 2 69.12 1 2 +A PRO 3 2 71.12 1 3 +A ASP 4 2 79.88 1 4 +A TRP 5 2 80.44 1 5 +A HIS 6 2 82.56 1 6 +A SER 7 2 83.81 1 7 +A SER 8 2 89.38 1 8 +A LEU 9 2 93.19 1 9 +A ILE 10 2 94.19 1 10 +A LEU 11 2 95.44 1 11 +A THR 12 2 96.19 1 12 +A ALA 13 2 97.00 1 13 +A TYR 14 2 97.75 1 14 +A ILE 15 2 97.75 1 15 +A LEU 16 2 97.69 1 16 +A ILE 17 2 98.06 1 17 +A PHE 18 2 98.00 1 18 +A LEU 19 2 97.31 1 19 +A THR 20 2 95.69 1 20 +A GLY 21 2 96.88 1 21 +A LEU 22 2 96.81 1 22 +A PRO 23 2 95.06 1 23 +A ALA 24 2 93.94 1 24 +A ASN 25 2 95.88 1 25 +A LEU 26 2 95.81 1 26 +A LEU 27 2 93.81 1 27 +A ALA 28 2 94.12 1 28 +A LEU 29 2 95.69 1 29 +A ARG 30 2 95.19 1 30 +A ALA 31 2 93.00 1 31 +A PHE 32 2 94.69 1 32 +A VAL 33 2 96.50 1 33 +A SER 34 2 94.50 1 34 +A ARG 35 2 92.38 1 35 +A VAL 36 2 94.88 1 36 +A ARG 37 2 95.19 1 37 +A GLN 38 2 93.56 1 38 +A PRO 39 2 92.62 1 39 +A GLN 40 2 88.81 1 40 +A PRO 41 2 93.69 1 41 +A ALA 42 2 93.56 1 42 +A PRO 43 2 96.38 1 43 +A VAL 44 2 95.50 1 44 +A HIS 45 2 95.38 1 45 +A ILE 46 2 97.62 1 46 +A LEU 47 2 97.94 1 47 +A LEU 48 2 96.81 1 48 +A LEU 49 2 96.94 1 49 +A ASN 50 2 98.38 1 50 +A LEU 51 2 97.88 1 51 +A THR 52 2 97.38 1 52 +A LEU 53 2 98.31 1 53 +A ALA 54 2 98.38 1 54 +A ASP 55 2 97.88 1 55 +A LEU 56 2 98.19 1 56 +A LEU 57 2 98.38 1 57 +A LEU 58 2 98.38 1 58 +A LEU 59 2 98.38 1 59 +A LEU 60 2 98.00 1 60 +A LEU 61 2 98.12 1 61 +A LEU 62 2 97.44 1 62 +A PRO 63 2 97.69 1 63 +A PHE 64 2 96.62 1 64 +A ARG 65 2 94.75 1 65 +A ILE 66 2 96.00 1 66 +A VAL 67 2 94.88 1 67 +A GLU 68 2 92.81 1 68 +A ALA 69 2 92.56 1 69 +A ALA 70 2 93.50 1 70 +A SER 71 2 91.62 1 71 +A ASN 72 2 89.06 1 72 +A PHE 73 2 89.06 1 73 +A ARG 74 2 90.06 1 74 +A TRP 75 2 91.06 1 75 +A TYR 76 2 90.81 1 76 +A LEU 77 2 91.56 1 77 +A PRO 78 2 91.62 1 78 +A LYS 79 2 89.75 1 79 +A ILE 80 2 92.31 1 80 +A VAL 81 2 94.94 1 81 +A CYS 82 2 94.56 1 82 +A ALA 83 2 94.62 1 83 +A LEU 84 2 96.94 1 84 +A THR 85 2 97.00 1 85 +A GLY 86 2 96.19 1 86 +A PHE 87 2 97.75 1 87 +A GLY 88 2 98.25 1 88 +A PHE 89 2 97.81 1 89 +A TYR 90 2 97.44 1 90 +A SER 91 2 98.44 1 91 +A SER 92 2 98.44 1 92 +A ILE 93 2 97.81 1 93 +A TYR 94 2 98.56 1 94 +A CYS 95 2 98.56 1 95 +A SER 96 2 98.19 1 96 +A THR 97 2 98.19 1 97 +A TRP 98 2 98.38 1 98 +A LEU 99 2 98.56 1 99 +A LEU 100 2 97.75 1 100 +A ALA 101 2 98.38 1 101 +A GLY 102 2 98.31 1 102 +A ILE 103 2 97.19 1 103 +A SER 104 2 98.00 1 104 +A ILE 105 2 98.06 1 105 +A GLU 106 2 96.31 1 106 +A ARG 107 2 95.50 1 107 +A TYR 108 2 97.31 1 108 +A LEU 109 2 96.75 1 109 +A GLY 110 2 95.06 1 110 +A VAL 111 2 94.75 1 111 +A ALA 112 2 96.25 1 112 +A PHE 113 2 95.44 1 113 +A PRO 114 2 92.88 1 114 +A VAL 115 2 94.00 1 115 +A GLN 116 2 94.06 1 116 +A TYR 117 2 93.25 1 117 +A LYS 118 2 92.19 1 118 +A LEU 119 2 93.25 1 119 +A SER 120 2 92.12 1 120 +A ARG 121 2 91.81 1 121 +A ARG 122 2 95.00 1 122 +A PRO 123 2 96.19 1 123 +A LEU 124 2 96.81 1 124 +A TYR 125 2 97.19 1 125 +A GLY 126 2 98.00 1 126 +A VAL 127 2 98.38 1 127 +A ILE 128 2 98.50 1 128 +A ALA 129 2 98.50 1 129 +A ALA 130 2 98.75 1 130 +A LEU 131 2 98.69 1 131 +A VAL 132 2 98.50 1 132 +A ALA 133 2 98.75 1 133 +A TRP 134 2 98.62 1 134 +A ILE 135 2 98.50 1 135 +A MET 136 2 97.81 1 136 +A SER 137 2 98.31 1 137 +A PHE 138 2 98.12 1 138 +A GLY 139 2 97.81 1 139 +A HIS 140 2 97.12 1 140 +A CYS 141 2 97.00 1 141 +A THR 142 2 96.12 1 142 +A ILE 143 2 93.94 1 143 +A VAL 144 2 93.88 1 144 +A ILE 145 2 93.69 1 145 +A ILE 146 2 92.69 1 146 +A VAL 147 2 90.75 1 147 +A GLN 148 2 88.25 1 148 +A TYR 149 2 88.69 1 149 +A LEU 150 2 85.31 1 150 +A ASN 151 2 68.62 1 151 +A SER 152 2 61.12 1 152 +A THR 153 2 51.25 1 153 +A GLU 154 2 46.69 1 154 +A GLN 155 2 47.62 1 155 +A VAL 156 2 44.88 1 156 +A GLY 157 2 45.47 1 157 +A THR 158 2 46.34 1 158 +A GLU 159 2 50.66 1 159 +A ASN 160 2 50.50 1 160 +A GLN 161 2 59.41 1 161 +A ILE 162 2 78.25 1 162 +A THR 163 2 82.75 1 163 +A CYS 164 2 87.88 1 164 +A TYR 165 2 86.06 1 165 +A GLU 166 2 83.38 1 166 +A ASN 167 2 84.19 1 167 +A PHE 168 2 86.56 1 168 +A THR 169 2 86.81 1 169 +A GLN 170 2 87.06 1 170 +A ALA 171 2 87.62 1 171 +A GLN 172 2 91.00 1 172 +A LEU 173 2 91.44 1 173 +A ASP 174 2 91.56 1 174 +A VAL 175 2 92.81 1 175 +A VAL 176 2 94.19 1 176 +A LEU 177 2 94.81 1 177 +A PRO 178 2 96.25 1 178 +A VAL 179 2 96.00 1 179 +A ARG 180 2 96.44 1 180 +A LEU 181 2 97.38 1 181 +A GLU 182 2 97.38 1 182 +A LEU 183 2 97.75 1 183 +A CYS 184 2 97.94 1 184 +A LEU 185 2 97.81 1 185 +A VAL 186 2 98.00 1 186 +A LEU 187 2 98.06 1 187 +A PHE 188 2 98.19 1 188 +A PHE 189 2 98.19 1 189 +A VAL 190 2 98.31 1 190 +A PRO 191 2 98.31 1 191 +A MET 192 2 98.12 1 192 +A THR 193 2 98.50 1 193 +A VAL 194 2 98.50 1 194 +A THR 195 2 98.31 1 195 +A ILE 196 2 98.50 1 196 +A PHE 197 2 98.50 1 197 +A CYS 198 2 98.44 1 198 +A TYR 199 2 97.75 1 199 +A TRP 200 2 98.06 1 200 +A ARG 201 2 98.19 1 201 +A PHE 202 2 97.44 1 202 +A VAL 203 2 97.19 1 203 +A TRP 204 2 97.88 1 204 +A ILE 205 2 96.44 1 205 +A MET 206 2 94.56 1 206 +A LEU 207 2 95.31 1 207 +A THR 208 2 95.56 1 208 +A GLN 209 2 92.88 1 209 +A PRO 210 2 89.81 1 210 +A HIS 211 2 91.25 1 211 +A VAL 212 2 91.12 1 212 +A GLY 213 2 92.88 1 213 +A ALA 214 2 93.44 1 214 +A GLN 215 2 91.06 1 215 +A ARG 216 2 91.00 1 216 +A ARG 217 2 94.00 1 217 +A ARG 218 2 93.81 1 218 +A ARG 219 2 92.75 1 219 +A ALA 220 2 94.31 1 220 +A VAL 221 2 95.88 1 221 +A GLY 222 2 94.81 1 222 +A LEU 223 2 95.38 1 223 +A ALA 224 2 96.50 1 224 +A VAL 225 2 96.25 1 225 +A VAL 226 2 95.75 1 226 +A THR 227 2 96.06 1 227 +A LEU 228 2 96.94 1 228 +A LEU 229 2 95.81 1 229 +A ASN 230 2 95.31 1 230 +A PHE 231 2 96.81 1 231 +A LEU 232 2 96.50 1 232 +A VAL 233 2 96.12 1 233 +A CYS 234 2 96.94 1 234 +A PHE 235 2 98.00 1 235 +A GLY 236 2 97.81 1 236 +A PRO 237 2 97.94 1 237 +A TYR 238 2 97.94 1 238 +A ASN 239 2 98.31 1 239 +A MET 240 2 98.06 1 240 +A SER 241 2 97.62 1 241 +A HIS 242 2 97.31 1 242 +A LEU 243 2 97.00 1 243 +A VAL 244 2 97.25 1 244 +A GLY 245 2 96.25 1 245 +A PHE 246 2 96.50 1 246 +A HIS 247 2 96.56 1 247 +A LEU 248 2 95.44 1 248 +A ARG 249 2 94.12 1 249 +A GLN 250 2 91.19 1 250 +A SER 251 2 88.38 1 251 +A PRO 252 2 92.44 1 252 +A SER 253 2 89.44 1 253 +A TRP 254 2 93.75 1 254 +A ARG 255 2 94.50 1 255 +A VAL 256 2 92.31 1 256 +A GLU 257 2 94.06 1 257 +A ALA 258 2 96.50 1 258 +A VAL 259 2 96.44 1 259 +A VAL 260 2 96.88 1 260 +A PHE 261 2 97.12 1 261 +A SER 262 2 97.50 1 262 +A SER 263 2 97.06 1 263 +A LEU 264 2 95.88 1 264 +A ASN 265 2 95.12 1 265 +A ALA 266 2 95.44 1 266 +A SER 267 2 93.88 1 267 +A LEU 268 2 93.00 1 268 +A ASP 269 2 90.19 1 269 +A PRO 270 2 84.94 1 270 +A LEU 271 2 87.00 1 271 +A LEU 272 2 89.62 1 272 +A PHE 273 2 88.31 1 273 +A TYR 274 2 85.19 1 274 +A PHE 275 2 84.50 1 275 +A SER 276 2 82.31 1 276 +A SER 277 2 83.25 1 277 +A SER 278 2 82.94 1 278 +A VAL 279 2 81.88 1 279 +A VAL 280 2 80.19 1 280 +A ARG 281 2 85.94 1 281 +A ARG 282 2 86.38 1 282 +A ALA 283 2 85.19 1 283 +A PHE 284 2 84.62 1 284 +A GLY 285 2 85.81 1 285 +A LYS 286 2 86.25 1 286 +A GLY 287 2 80.31 1 287 +A LEU 288 2 81.25 1 288 +A LEU 289 2 85.56 1 289 +A LEU 290 2 82.25 1 290 +A LEU 291 2 79.19 1 291 +A ARG 292 2 83.62 1 292 +A ASN 293 2 79.62 1 293 +A PRO 294 2 63.88 1 294 +A GLY 295 2 57.34 1 295 +A SER 296 2 54.59 1 296 +A SER 297 2 51.66 1 297 +A MET 298 2 44.25 1 298 +A LEU 299 2 44.06 1 299 +A GLY 300 2 40.03 1 300 +A ARG 301 2 39.19 1 301 +A GLY 302 2 35.12 1 302 +A ALA 303 2 39.00 1 303 +A GLU 304 2 42.62 1 304 +A GLU 305 2 39.50 1 305 +A THR 306 2 39.88 1 306 +A VAL 307 2 41.53 1 307 +A GLU 308 2 38.06 1 308 +A GLY 309 2 35.75 1 309 +A THR 310 2 34.22 1 310 +A LYS 311 2 35.66 1 311 +A THR 312 2 32.56 1 312 +A ASP 313 2 29.47 1 313 +A ARG 314 2 34.59 1 314 +A GLY 315 2 27.08 1 315 +A GLY 316 2 30.20 1 316 +A SER 317 2 27.41 1 317 +A GLN 318 2 33.00 1 318 +A THR 319 2 28.00 1 319 +A GLU 320 2 28.62 1 320 +A GLY 321 2 32.19 1 321 +A ALA 322 2 33.62 1 322 +A GLN 323 2 28.97 1 323 +A SER 324 2 33.84 1 324 +A SER 325 2 34.03 1 325 +A ASP 326 2 34.81 1 326 +A PHE 327 2 30.03 1 327 +A VAL 328 2 39.00 1 328 +A THR 329 2 29.86 1 329 +A GLU 330 2 37.78 1 330 +# +_ma_software_group.group_id 1 +_ma_software_group.ordinal_id 1 +_ma_software_group.software_id 1 +# +_ma_target_entity.data_id 1 +_ma_target_entity.entity_id 1 +_ma_target_entity.origin "reference database" +# +_ma_target_entity_instance.asym_id A +_ma_target_entity_instance.details . +_ma_target_entity_instance.entity_id 1 +# +_ma_target_ref_db_details.db_accession Q76EI6 +_ma_target_ref_db_details.db_code FFAR2_RAT +_ma_target_ref_db_details.db_name UNP +_ma_target_ref_db_details.gene_name Ffar2 +_ma_target_ref_db_details.ncbi_taxonomy_id 10116 +_ma_target_ref_db_details.organism_scientific "Rattus norvegicus" +_ma_target_ref_db_details.seq_db_align_begin 1 +_ma_target_ref_db_details.seq_db_align_end 330 +_ma_target_ref_db_details.seq_db_isoform ? +_ma_target_ref_db_details.seq_db_sequence_checksum CF32C5B5D226670B +_ma_target_ref_db_details.seq_db_sequence_version_date 2004-07-05 +_ma_target_ref_db_details.target_entity_id 1 +# +loop_ +_ma_template_details.ordinal_id +_ma_template_details.target_asym_id +_ma_template_details.template_auth_asym_id +_ma_template_details.template_data_id +_ma_template_details.template_entity_type +_ma_template_details.template_id +_ma_template_details.template_model_num +_ma_template_details.template_origin +_ma_template_details.template_trans_matrix_id +1 A A 2 polymer 1 1 "reference database" 1 +2 A A 2 polymer 2 1 "reference database" 1 +3 A A 2 polymer 3 1 "reference database" 1 +4 A A 2 polymer 4 1 "reference database" 1 +# +loop_ +_ma_template_ref_db_details.db_accession_code +_ma_template_ref_db_details.db_name +_ma_template_ref_db_details.template_id +3VW7 PDB 1 +5ZKP PDB 2 +6D26 PDB 3 +6D27 PDB 4 +# +_ma_template_trans_matrix.id 1 +_ma_template_trans_matrix.rot_matrix[1][1] 1.0 +_ma_template_trans_matrix.rot_matrix[1][2] 0.0 +_ma_template_trans_matrix.rot_matrix[1][3] 0.0 +_ma_template_trans_matrix.rot_matrix[2][1] 0.0 +_ma_template_trans_matrix.rot_matrix[2][2] 1.0 +_ma_template_trans_matrix.rot_matrix[2][3] 0.0 +_ma_template_trans_matrix.rot_matrix[3][1] 0.0 +_ma_template_trans_matrix.rot_matrix[3][2] 0.0 +_ma_template_trans_matrix.rot_matrix[3][3] 1.0 +_ma_template_trans_matrix.tr_vector[1] 0.0 +_ma_template_trans_matrix.tr_vector[2] 0.0 +_ma_template_trans_matrix.tr_vector[3] 0.0 +# +loop_ +_pdbx_audit_revision_details.data_content_type +_pdbx_audit_revision_details.description +_pdbx_audit_revision_details.ordinal +_pdbx_audit_revision_details.provider +_pdbx_audit_revision_details.revision_ordinal +_pdbx_audit_revision_details.type +"Structure model" ? 1 repository 1 "Initial release" +"Structure model" "Format fixes, new metadata, initial SwissProt release" 2 repository 2 Remediation +"Structure model" "Format fixes, new metadata, initial UniProt release" 3 repository 3 Remediation +"Structure model" "Improved prediction accuracy, small format fixes" 4 repository 4 Remediation +"Structure model" "Update to UniProt 2024_06, small format fixes" 5 repository 5 Release +"Structure model" "Update to UniProt 2025_03" 6 repository 6 Release +# +loop_ +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.revision_date +"Structure model" 1 0 1 2021-07-01 +"Structure model" 2 0 2 2021-12-09 +"Structure model" 3 0 3 2022-06-01 +"Structure model" 4 0 4 2022-09-30 +"Structure model" 5 0 5 2025-03-31 +"Structure model" 6 0 6 2025-08-01 +# +loop_ +_pdbx_data_usage.details +_pdbx_data_usage.id +_pdbx_data_usage.name +_pdbx_data_usage.type +_pdbx_data_usage.url +"Data in this file is available under a CC-BY-4.0 license." 1 CC-BY-4.0 license https://creativecommons.org/licenses/by/4.0/ +;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION +PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS +USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED +OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE +THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE +A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES +NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR +ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. +; +2 ? disclaimer ? +# +_pdbx_database_status.entry_id AF-Q76EI6-F1 +_pdbx_database_status.recvd_initial_deposition_date 2025-08-01 +_pdbx_database_status.status_code REL +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.hetero +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.seq_id +A 1 1 n MET . MET 1 A 1 +A 2 1 n THR . THR 2 A 2 +A 3 1 n PRO . PRO 3 A 3 +A 4 1 n ASP . ASP 4 A 4 +A 5 1 n TRP . TRP 5 A 5 +A 6 1 n HIS . HIS 6 A 6 +A 7 1 n SER . SER 7 A 7 +A 8 1 n SER . SER 8 A 8 +A 9 1 n LEU . LEU 9 A 9 +A 10 1 n ILE . ILE 10 A 10 +A 11 1 n LEU . LEU 11 A 11 +A 12 1 n THR . THR 12 A 12 +A 13 1 n ALA . ALA 13 A 13 +A 14 1 n TYR . TYR 14 A 14 +A 15 1 n ILE . ILE 15 A 15 +A 16 1 n LEU . LEU 16 A 16 +A 17 1 n ILE . ILE 17 A 17 +A 18 1 n PHE . PHE 18 A 18 +A 19 1 n LEU . LEU 19 A 19 +A 20 1 n THR . THR 20 A 20 +A 21 1 n GLY . GLY 21 A 21 +A 22 1 n LEU . LEU 22 A 22 +A 23 1 n PRO . PRO 23 A 23 +A 24 1 n ALA . ALA 24 A 24 +A 25 1 n ASN . ASN 25 A 25 +A 26 1 n LEU . LEU 26 A 26 +A 27 1 n LEU . LEU 27 A 27 +A 28 1 n ALA . ALA 28 A 28 +A 29 1 n LEU . LEU 29 A 29 +A 30 1 n ARG . ARG 30 A 30 +A 31 1 n ALA . ALA 31 A 31 +A 32 1 n PHE . PHE 32 A 32 +A 33 1 n VAL . VAL 33 A 33 +A 34 1 n SER . SER 34 A 34 +A 35 1 n ARG . ARG 35 A 35 +A 36 1 n VAL . VAL 36 A 36 +A 37 1 n ARG . ARG 37 A 37 +A 38 1 n GLN . GLN 38 A 38 +A 39 1 n PRO . PRO 39 A 39 +A 40 1 n GLN . GLN 40 A 40 +A 41 1 n PRO . PRO 41 A 41 +A 42 1 n ALA . ALA 42 A 42 +A 43 1 n PRO . PRO 43 A 43 +A 44 1 n VAL . VAL 44 A 44 +A 45 1 n HIS . HIS 45 A 45 +A 46 1 n ILE . ILE 46 A 46 +A 47 1 n LEU . LEU 47 A 47 +A 48 1 n LEU . LEU 48 A 48 +A 49 1 n LEU . LEU 49 A 49 +A 50 1 n ASN . ASN 50 A 50 +A 51 1 n LEU . LEU 51 A 51 +A 52 1 n THR . THR 52 A 52 +A 53 1 n LEU . LEU 53 A 53 +A 54 1 n ALA . ALA 54 A 54 +A 55 1 n ASP . ASP 55 A 55 +A 56 1 n LEU . LEU 56 A 56 +A 57 1 n LEU . LEU 57 A 57 +A 58 1 n LEU . LEU 58 A 58 +A 59 1 n LEU . LEU 59 A 59 +A 60 1 n LEU . LEU 60 A 60 +A 61 1 n LEU . LEU 61 A 61 +A 62 1 n LEU . LEU 62 A 62 +A 63 1 n PRO . PRO 63 A 63 +A 64 1 n PHE . PHE 64 A 64 +A 65 1 n ARG . ARG 65 A 65 +A 66 1 n ILE . ILE 66 A 66 +A 67 1 n VAL . VAL 67 A 67 +A 68 1 n GLU . GLU 68 A 68 +A 69 1 n ALA . ALA 69 A 69 +A 70 1 n ALA . ALA 70 A 70 +A 71 1 n SER . SER 71 A 71 +A 72 1 n ASN . ASN 72 A 72 +A 73 1 n PHE . PHE 73 A 73 +A 74 1 n ARG . ARG 74 A 74 +A 75 1 n TRP . TRP 75 A 75 +A 76 1 n TYR . TYR 76 A 76 +A 77 1 n LEU . LEU 77 A 77 +A 78 1 n PRO . PRO 78 A 78 +A 79 1 n LYS . LYS 79 A 79 +A 80 1 n ILE . ILE 80 A 80 +A 81 1 n VAL . VAL 81 A 81 +A 82 1 n CYS . CYS 82 A 82 +A 83 1 n ALA . ALA 83 A 83 +A 84 1 n LEU . LEU 84 A 84 +A 85 1 n THR . THR 85 A 85 +A 86 1 n GLY . GLY 86 A 86 +A 87 1 n PHE . PHE 87 A 87 +A 88 1 n GLY . GLY 88 A 88 +A 89 1 n PHE . PHE 89 A 89 +A 90 1 n TYR . TYR 90 A 90 +A 91 1 n SER . SER 91 A 91 +A 92 1 n SER . SER 92 A 92 +A 93 1 n ILE . ILE 93 A 93 +A 94 1 n TYR . TYR 94 A 94 +A 95 1 n CYS . CYS 95 A 95 +A 96 1 n SER . SER 96 A 96 +A 97 1 n THR . THR 97 A 97 +A 98 1 n TRP . TRP 98 A 98 +A 99 1 n LEU . LEU 99 A 99 +A 100 1 n LEU . LEU 100 A 100 +A 101 1 n ALA . ALA 101 A 101 +A 102 1 n GLY . GLY 102 A 102 +A 103 1 n ILE . ILE 103 A 103 +A 104 1 n SER . SER 104 A 104 +A 105 1 n ILE . ILE 105 A 105 +A 106 1 n GLU . GLU 106 A 106 +A 107 1 n ARG . ARG 107 A 107 +A 108 1 n TYR . TYR 108 A 108 +A 109 1 n LEU . LEU 109 A 109 +A 110 1 n GLY . GLY 110 A 110 +A 111 1 n VAL . VAL 111 A 111 +A 112 1 n ALA . ALA 112 A 112 +A 113 1 n PHE . PHE 113 A 113 +A 114 1 n PRO . PRO 114 A 114 +A 115 1 n VAL . VAL 115 A 115 +A 116 1 n GLN . GLN 116 A 116 +A 117 1 n TYR . TYR 117 A 117 +A 118 1 n LYS . LYS 118 A 118 +A 119 1 n LEU . LEU 119 A 119 +A 120 1 n SER . SER 120 A 120 +A 121 1 n ARG . ARG 121 A 121 +A 122 1 n ARG . ARG 122 A 122 +A 123 1 n PRO . PRO 123 A 123 +A 124 1 n LEU . LEU 124 A 124 +A 125 1 n TYR . TYR 125 A 125 +A 126 1 n GLY . GLY 126 A 126 +A 127 1 n VAL . VAL 127 A 127 +A 128 1 n ILE . ILE 128 A 128 +A 129 1 n ALA . ALA 129 A 129 +A 130 1 n ALA . ALA 130 A 130 +A 131 1 n LEU . LEU 131 A 131 +A 132 1 n VAL . VAL 132 A 132 +A 133 1 n ALA . ALA 133 A 133 +A 134 1 n TRP . TRP 134 A 134 +A 135 1 n ILE . ILE 135 A 135 +A 136 1 n MET . MET 136 A 136 +A 137 1 n SER . SER 137 A 137 +A 138 1 n PHE . PHE 138 A 138 +A 139 1 n GLY . GLY 139 A 139 +A 140 1 n HIS . HIS 140 A 140 +A 141 1 n CYS . CYS 141 A 141 +A 142 1 n THR . THR 142 A 142 +A 143 1 n ILE . ILE 143 A 143 +A 144 1 n VAL . VAL 144 A 144 +A 145 1 n ILE . ILE 145 A 145 +A 146 1 n ILE . ILE 146 A 146 +A 147 1 n VAL . VAL 147 A 147 +A 148 1 n GLN . GLN 148 A 148 +A 149 1 n TYR . TYR 149 A 149 +A 150 1 n LEU . LEU 150 A 150 +A 151 1 n ASN . ASN 151 A 151 +A 152 1 n SER . SER 152 A 152 +A 153 1 n THR . THR 153 A 153 +A 154 1 n GLU . GLU 154 A 154 +A 155 1 n GLN . GLN 155 A 155 +A 156 1 n VAL . VAL 156 A 156 +A 157 1 n GLY . GLY 157 A 157 +A 158 1 n THR . THR 158 A 158 +A 159 1 n GLU . GLU 159 A 159 +A 160 1 n ASN . ASN 160 A 160 +A 161 1 n GLN . GLN 161 A 161 +A 162 1 n ILE . ILE 162 A 162 +A 163 1 n THR . THR 163 A 163 +A 164 1 n CYS . CYS 164 A 164 +A 165 1 n TYR . TYR 165 A 165 +A 166 1 n GLU . GLU 166 A 166 +A 167 1 n ASN . ASN 167 A 167 +A 168 1 n PHE . PHE 168 A 168 +A 169 1 n THR . THR 169 A 169 +A 170 1 n GLN . GLN 170 A 170 +A 171 1 n ALA . ALA 171 A 171 +A 172 1 n GLN . GLN 172 A 172 +A 173 1 n LEU . LEU 173 A 173 +A 174 1 n ASP . ASP 174 A 174 +A 175 1 n VAL . VAL 175 A 175 +A 176 1 n VAL . VAL 176 A 176 +A 177 1 n LEU . LEU 177 A 177 +A 178 1 n PRO . PRO 178 A 178 +A 179 1 n VAL . VAL 179 A 179 +A 180 1 n ARG . ARG 180 A 180 +A 181 1 n LEU . LEU 181 A 181 +A 182 1 n GLU . GLU 182 A 182 +A 183 1 n LEU . LEU 183 A 183 +A 184 1 n CYS . CYS 184 A 184 +A 185 1 n LEU . LEU 185 A 185 +A 186 1 n VAL . VAL 186 A 186 +A 187 1 n LEU . LEU 187 A 187 +A 188 1 n PHE . PHE 188 A 188 +A 189 1 n PHE . PHE 189 A 189 +A 190 1 n VAL . VAL 190 A 190 +A 191 1 n PRO . PRO 191 A 191 +A 192 1 n MET . MET 192 A 192 +A 193 1 n THR . THR 193 A 193 +A 194 1 n VAL . VAL 194 A 194 +A 195 1 n THR . THR 195 A 195 +A 196 1 n ILE . ILE 196 A 196 +A 197 1 n PHE . PHE 197 A 197 +A 198 1 n CYS . CYS 198 A 198 +A 199 1 n TYR . TYR 199 A 199 +A 200 1 n TRP . TRP 200 A 200 +A 201 1 n ARG . ARG 201 A 201 +A 202 1 n PHE . PHE 202 A 202 +A 203 1 n VAL . VAL 203 A 203 +A 204 1 n TRP . TRP 204 A 204 +A 205 1 n ILE . ILE 205 A 205 +A 206 1 n MET . MET 206 A 206 +A 207 1 n LEU . LEU 207 A 207 +A 208 1 n THR . THR 208 A 208 +A 209 1 n GLN . GLN 209 A 209 +A 210 1 n PRO . PRO 210 A 210 +A 211 1 n HIS . HIS 211 A 211 +A 212 1 n VAL . VAL 212 A 212 +A 213 1 n GLY . GLY 213 A 213 +A 214 1 n ALA . ALA 214 A 214 +A 215 1 n GLN . GLN 215 A 215 +A 216 1 n ARG . ARG 216 A 216 +A 217 1 n ARG . ARG 217 A 217 +A 218 1 n ARG . ARG 218 A 218 +A 219 1 n ARG . ARG 219 A 219 +A 220 1 n ALA . ALA 220 A 220 +A 221 1 n VAL . VAL 221 A 221 +A 222 1 n GLY . GLY 222 A 222 +A 223 1 n LEU . LEU 223 A 223 +A 224 1 n ALA . ALA 224 A 224 +A 225 1 n VAL . VAL 225 A 225 +A 226 1 n VAL . VAL 226 A 226 +A 227 1 n THR . THR 227 A 227 +A 228 1 n LEU . LEU 228 A 228 +A 229 1 n LEU . LEU 229 A 229 +A 230 1 n ASN . ASN 230 A 230 +A 231 1 n PHE . PHE 231 A 231 +A 232 1 n LEU . LEU 232 A 232 +A 233 1 n VAL . VAL 233 A 233 +A 234 1 n CYS . CYS 234 A 234 +A 235 1 n PHE . PHE 235 A 235 +A 236 1 n GLY . GLY 236 A 236 +A 237 1 n PRO . PRO 237 A 237 +A 238 1 n TYR . TYR 238 A 238 +A 239 1 n ASN . ASN 239 A 239 +A 240 1 n MET . MET 240 A 240 +A 241 1 n SER . SER 241 A 241 +A 242 1 n HIS . HIS 242 A 242 +A 243 1 n LEU . LEU 243 A 243 +A 244 1 n VAL . VAL 244 A 244 +A 245 1 n GLY . GLY 245 A 245 +A 246 1 n PHE . PHE 246 A 246 +A 247 1 n HIS . HIS 247 A 247 +A 248 1 n LEU . LEU 248 A 248 +A 249 1 n ARG . ARG 249 A 249 +A 250 1 n GLN . GLN 250 A 250 +A 251 1 n SER . SER 251 A 251 +A 252 1 n PRO . PRO 252 A 252 +A 253 1 n SER . SER 253 A 253 +A 254 1 n TRP . TRP 254 A 254 +A 255 1 n ARG . ARG 255 A 255 +A 256 1 n VAL . VAL 256 A 256 +A 257 1 n GLU . GLU 257 A 257 +A 258 1 n ALA . ALA 258 A 258 +A 259 1 n VAL . VAL 259 A 259 +A 260 1 n VAL . VAL 260 A 260 +A 261 1 n PHE . PHE 261 A 261 +A 262 1 n SER . SER 262 A 262 +A 263 1 n SER . SER 263 A 263 +A 264 1 n LEU . LEU 264 A 264 +A 265 1 n ASN . ASN 265 A 265 +A 266 1 n ALA . ALA 266 A 266 +A 267 1 n SER . SER 267 A 267 +A 268 1 n LEU . LEU 268 A 268 +A 269 1 n ASP . ASP 269 A 269 +A 270 1 n PRO . PRO 270 A 270 +A 271 1 n LEU . LEU 271 A 271 +A 272 1 n LEU . LEU 272 A 272 +A 273 1 n PHE . PHE 273 A 273 +A 274 1 n TYR . TYR 274 A 274 +A 275 1 n PHE . PHE 275 A 275 +A 276 1 n SER . SER 276 A 276 +A 277 1 n SER . SER 277 A 277 +A 278 1 n SER . SER 278 A 278 +A 279 1 n VAL . VAL 279 A 279 +A 280 1 n VAL . VAL 280 A 280 +A 281 1 n ARG . ARG 281 A 281 +A 282 1 n ARG . ARG 282 A 282 +A 283 1 n ALA . ALA 283 A 283 +A 284 1 n PHE . PHE 284 A 284 +A 285 1 n GLY . GLY 285 A 285 +A 286 1 n LYS . LYS 286 A 286 +A 287 1 n GLY . GLY 287 A 287 +A 288 1 n LEU . LEU 288 A 288 +A 289 1 n LEU . LEU 289 A 289 +A 290 1 n LEU . LEU 290 A 290 +A 291 1 n LEU . LEU 291 A 291 +A 292 1 n ARG . ARG 292 A 292 +A 293 1 n ASN . ASN 293 A 293 +A 294 1 n PRO . PRO 294 A 294 +A 295 1 n GLY . GLY 295 A 295 +A 296 1 n SER . SER 296 A 296 +A 297 1 n SER . SER 297 A 297 +A 298 1 n MET . MET 298 A 298 +A 299 1 n LEU . LEU 299 A 299 +A 300 1 n GLY . GLY 300 A 300 +A 301 1 n ARG . ARG 301 A 301 +A 302 1 n GLY . GLY 302 A 302 +A 303 1 n ALA . ALA 303 A 303 +A 304 1 n GLU . GLU 304 A 304 +A 305 1 n GLU . GLU 305 A 305 +A 306 1 n THR . THR 306 A 306 +A 307 1 n VAL . VAL 307 A 307 +A 308 1 n GLU . GLU 308 A 308 +A 309 1 n GLY . GLY 309 A 309 +A 310 1 n THR . THR 310 A 310 +A 311 1 n LYS . LYS 311 A 311 +A 312 1 n THR . THR 312 A 312 +A 313 1 n ASP . ASP 313 A 313 +A 314 1 n ARG . ARG 314 A 314 +A 315 1 n GLY . GLY 315 A 315 +A 316 1 n GLY . GLY 316 A 316 +A 317 1 n SER . SER 317 A 317 +A 318 1 n GLN . GLN 318 A 318 +A 319 1 n THR . THR 319 A 319 +A 320 1 n GLU . GLU 320 A 320 +A 321 1 n GLY . GLY 321 A 321 +A 322 1 n ALA . ALA 322 A 322 +A 323 1 n GLN . GLN 323 A 323 +A 324 1 n SER . SER 324 A 324 +A 325 1 n SER . SER 325 A 325 +A 326 1 n ASP . ASP 326 A 326 +A 327 1 n PHE . PHE 327 A 327 +A 328 1 n VAL . VAL 328 A 328 +A 329 1 n THR . THR 329 A 329 +A 330 1 n GLU . GLU 330 A 330 +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.pdbx_ordinal +_software.type +_software.version +other ? "Structure prediction" AlphaFold 1 package v2.0 +other ? "Secondary structure" dssp 2 library 4 +# +_struct_asym.entity_id 1 +_struct_asym.id A +# +loop_ +_struct_conf.beg_auth_asym_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.conf_type_id +_struct_conf.end_auth_asym_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_label_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.pdbx_end_PDB_ins_code +A THR 2 A THR 2 HELX_LH_PP_P A ASP 4 A ASP 4 HELX_LH_PP_P1 ? ? +A TRP 5 A TRP 5 HELX_RH_AL_P A VAL 36 A VAL 36 HELX_RH_AL_P1 ? ? +A ARG 37 A ARG 37 TURN_TY1_P A ARG 37 A ARG 37 TURN_TY1_P1 ? ? +A GLN 38 A GLN 38 BEND A GLN 40 A GLN 40 BEND1 ? ? +A PRO 43 A PRO 43 HELX_RH_AL_P A ALA 70 A ALA 70 HELX_RH_AL_P2 ? ? +A SER 71 A SER 71 TURN_TY1_P A PHE 73 A PHE 73 TURN_TY1_P2 ? ? +A LEU 77 A LEU 77 BEND A LEU 77 A LEU 77 BEND2 ? ? +A LYS 79 A LYS 79 HELX_RH_AL_P A ALA 112 A ALA 112 HELX_RH_AL_P3 ? ? +A PHE 113 A PHE 113 BEND A PHE 113 A PHE 113 BEND3 ? ? +A PRO 114 A PRO 114 HELX_RH_AL_P A SER 120 A SER 120 HELX_RH_AL_P4 ? ? +A PRO 123 A PRO 123 HELX_RH_AL_P A CYS 141 A CYS 141 HELX_RH_AL_P5 ? ? +A THR 142 A THR 142 TURN_TY1_P A THR 142 A THR 142 TURN_TY1_P3 ? ? +A ILE 143 A ILE 143 HELX_RH_AL_P A TYR 149 A TYR 149 HELX_RH_AL_P6 ? ? +A LEU 150 A LEU 150 TURN_TY1_P A ASN 151 A ASN 151 TURN_TY1_P4 ? ? +A SER 152 A SER 152 HELX_RH_3T_P A GLU 154 A GLU 154 HELX_RH_3T_P1 ? ? +A GLY 157 A GLY 157 BEND A GLY 157 A GLY 157 BEND4 ? ? +A GLU 159 A GLU 159 HELX_RH_3T_P A GLN 161 A GLN 161 HELX_RH_3T_P2 ? ? +A CYS 164 A CYS 164 BEND A TYR 165 A TYR 165 BEND5 ? ? +A ASN 167 A ASN 167 BEND A ASN 167 A ASN 167 BEND6 ? ? +A GLN 170 A GLN 170 HELX_RH_AL_P A LEU 183 A LEU 183 HELX_RH_AL_P7 ? ? +A CYS 184 A CYS 184 HELX_RH_PI_P A PHE 189 A PHE 189 HELX_RH_PI_P1 ? ? +A VAL 190 A VAL 190 HELX_RH_AL_P A THR 208 A THR 208 HELX_RH_AL_P8 ? ? +A PRO 210 A PRO 210 TURN_TY1_P A HIS 211 A HIS 211 TURN_TY1_P5 ? ? +A VAL 212 A VAL 212 BEND A VAL 212 A VAL 212 BEND7 ? ? +A ALA 214 A ALA 214 HELX_RH_AL_P A ASN 230 A ASN 230 HELX_RH_AL_P9 ? ? +A PHE 231 A PHE 231 HELX_RH_PI_P A PHE 235 A PHE 235 HELX_RH_PI_P2 ? ? +A GLY 236 A GLY 236 HELX_RH_AL_P A LEU 248 A LEU 248 HELX_RH_AL_P10 ? ? +A ARG 249 A ARG 249 TURN_TY1_P A ARG 249 A ARG 249 TURN_TY1_P6 ? ? +A GLN 250 A GLN 250 BEND A GLN 250 A GLN 250 BEND8 ? ? +A SER 253 A SER 253 TURN_TY1_P A TRP 254 A TRP 254 TURN_TY1_P7 ? ? +A ARG 255 A ARG 255 HELX_RH_AL_P A SER 276 A SER 276 HELX_RH_AL_P11 ? ? +A SER 278 A SER 278 HELX_RH_AL_P A ARG 292 A ARG 292 HELX_RH_AL_P12 ? ? +A PRO 294 A PRO 294 HELX_RH_3T_P A SER 297 A SER 297 HELX_RH_3T_P3 ? ? +A MET 298 A MET 298 TURN_TY1_P A MET 298 A MET 298 TURN_TY1_P8 ? ? +A LEU 299 A LEU 299 HELX_RH_AL_P A GLU 305 A GLU 305 HELX_RH_AL_P13 ? ? +A THR 306 A THR 306 TURN_TY1_P A GLY 309 A GLY 309 TURN_TY1_P9 ? ? +A THR 310 A THR 310 BEND A THR 310 A THR 310 BEND9 ? ? +# +loop_ +_struct_conf_type.criteria +_struct_conf_type.id +DSSP HELX_LH_PP_P +DSSP HELX_RH_AL_P +DSSP TURN_TY1_P +DSSP BEND +DSSP HELX_RH_3T_P +DSSP HELX_RH_PI_P +# +_struct_ref.db_code FFAR2_RAT +_struct_ref.db_name UNP +_struct_ref.entity_id 1 +_struct_ref.id 1 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_align_end 330 +_struct_ref.pdbx_db_accession Q76EI6 +_struct_ref.pdbx_db_isoform ? +_struct_ref.pdbx_seq_one_letter_code +;MTPDWHSSLILTAYILIFLTGLPANLLALRAFVSRVRQPQPAPVHILLLNLTLADLLLLLLLPFRIVEAASNFRWYLPKI +VCALTGFGFYSSIYCSTWLLAGISIERYLGVAFPVQYKLSRRPLYGVIAALVAWIMSFGHCTIVIIVQYLNSTEQVGTEN +QITCYENFTQAQLDVVLPVRLELCLVLFFVPMTVTIFCYWRFVWIMLTQPHVGAQRRRRAVGLAVVTLLNFLVCFGPYNM +SHLVGFHLRQSPSWRVEAVVFSSLNASLDPLLFYFSSSVVRRAFGKGLLLLRNPGSSMLGRGAEETVEGTKTDRGGSQTE +GAQSSDFVTE +; +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.db_align_end 330 +_struct_ref_seq.pdbx_PDB_id_code AF-Q76EI6-F1 +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 330 +_struct_ref_seq.pdbx_db_accession Q76EI6 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.ref_id 1 +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.seq_align_end 330 +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +_atom_site.pdbx_sifts_xref_db_acc +_atom_site.pdbx_sifts_xref_db_name +_atom_site.pdbx_sifts_xref_db_num +_atom_site.pdbx_sifts_xref_db_res +ATOM 1 N N . MET A 1 1 ? -15.458 -25.294 18.908 1.00 57.47 ? 1 MET A N 1 Q76EI6 UNP 1 M +ATOM 2 C CA . MET A 1 1 ? -16.405 -24.990 17.813 1.00 57.47 ? 1 MET A CA 1 Q76EI6 UNP 1 M +ATOM 3 C C . MET A 1 1 ? -15.619 -25.010 16.521 1.00 57.47 ? 1 MET A C 1 Q76EI6 UNP 1 M +ATOM 4 C CB . MET A 1 1 ? -17.068 -23.617 18.007 1.00 57.47 ? 1 MET A CB 1 Q76EI6 UNP 1 M +ATOM 5 O O . MET A 1 1 ? -14.564 -24.394 16.484 1.00 57.47 ? 1 MET A O 1 Q76EI6 UNP 1 M +ATOM 6 C CG . MET A 1 1 ? -18.233 -23.690 18.998 1.00 57.47 ? 1 MET A CG 1 Q76EI6 UNP 1 M +ATOM 7 S SD . MET A 1 1 ? -18.852 -22.070 19.512 1.00 57.47 ? 1 MET A SD 1 Q76EI6 UNP 1 M +ATOM 8 C CE . MET A 1 1 ? -20.261 -22.586 20.534 1.00 57.47 ? 1 MET A CE 1 Q76EI6 UNP 1 M +ATOM 9 N N . THR A 1 2 ? -16.065 -25.758 15.515 1.00 69.12 ? 2 THR A N 1 Q76EI6 UNP 2 T +ATOM 10 C CA . THR A 1 2 ? -15.481 -25.686 14.169 1.00 69.12 ? 2 THR A CA 1 Q76EI6 UNP 2 T +ATOM 11 C C . THR A 1 2 ? -15.819 -24.325 13.549 1.00 69.12 ? 2 THR A C 1 Q76EI6 UNP 2 T +ATOM 12 C CB . THR A 1 2 ? -16.014 -26.819 13.280 1.00 69.12 ? 2 THR A CB 1 Q76EI6 UNP 2 T +ATOM 13 O O . THR A 1 2 ? -16.925 -23.832 13.802 1.00 69.12 ? 2 THR A O 1 Q76EI6 UNP 2 T +ATOM 14 C CG2 . THR A 1 2 ? -15.445 -28.170 13.720 1.00 69.12 ? 2 THR A CG2 1 Q76EI6 UNP 2 T +ATOM 15 O OG1 . THR A 1 2 ? -17.416 -26.907 13.408 1.00 69.12 ? 2 THR A OG1 1 Q76EI6 UNP 2 T +ATOM 16 N N . PRO A 1 3 ? -14.910 -23.699 12.783 1.00 71.12 ? 3 PRO A N 1 Q76EI6 UNP 3 P +ATOM 17 C CA . PRO A 1 3 ? -15.240 -22.489 12.046 1.00 71.12 ? 3 PRO A CA 1 Q76EI6 UNP 3 P +ATOM 18 C C . PRO A 1 3 ? -16.351 -22.777 11.030 1.00 71.12 ? 3 PRO A C 1 Q76EI6 UNP 3 P +ATOM 19 C CB . PRO A 1 3 ? -13.949 -22.011 11.375 1.00 71.12 ? 3 PRO A CB 1 Q76EI6 UNP 3 P +ATOM 20 O O . PRO A 1 3 ? -16.405 -23.881 10.480 1.00 71.12 ? 3 PRO A O 1 Q76EI6 UNP 3 P +ATOM 21 C CG . PRO A 1 3 ? -12.843 -22.783 12.090 1.00 71.12 ? 3 PRO A CG 1 Q76EI6 UNP 3 P +ATOM 22 C CD . PRO A 1 3 ? -13.527 -24.070 12.543 1.00 71.12 ? 3 PRO A CD 1 Q76EI6 UNP 3 P +ATOM 23 N N . ASP A 1 4 ? -17.225 -21.811 10.755 1.00 79.88 ? 4 ASP A N 1 Q76EI6 UNP 4 D +ATOM 24 C CA . ASP A 1 4 ? -18.118 -21.913 9.599 1.00 79.88 ? 4 ASP A CA 1 Q76EI6 UNP 4 D +ATOM 25 C C . ASP A 1 4 ? -17.318 -21.861 8.273 1.00 79.88 ? 4 ASP A C 1 Q76EI6 UNP 4 D +ATOM 26 C CB . ASP A 1 4 ? -19.286 -20.908 9.715 1.00 79.88 ? 4 ASP A CB 1 Q76EI6 UNP 4 D +ATOM 27 O O . ASP A 1 4 ? -16.105 -21.611 8.250 1.00 79.88 ? 4 ASP A O 1 Q76EI6 UNP 4 D +ATOM 28 C CG . ASP A 1 4 ? -18.913 -19.437 9.524 1.00 79.88 ? 4 ASP A CG 1 Q76EI6 UNP 4 D +ATOM 29 O OD1 . ASP A 1 4 ? -17.874 -19.195 8.885 1.00 79.88 ? 4 ASP A OD1 1 Q76EI6 UNP 4 D +ATOM 30 O OD2 . ASP A 1 4 ? -19.726 -18.570 9.898 1.00 79.88 ? 4 ASP A OD2 1 Q76EI6 UNP 4 D +ATOM 31 N N . TRP A 1 5 ? -17.966 -22.149 7.138 1.00 80.44 ? 5 TRP A N 1 Q76EI6 UNP 5 W +ATOM 32 C CA . TRP A 1 5 ? -17.295 -22.154 5.827 1.00 80.44 ? 5 TRP A CA 1 Q76EI6 UNP 5 W +ATOM 33 C C . TRP A 1 5 ? -16.661 -20.800 5.482 1.00 80.44 ? 5 TRP A C 1 Q76EI6 UNP 5 W +ATOM 34 C CB . TRP A 1 5 ? -18.303 -22.539 4.736 1.00 80.44 ? 5 TRP A CB 1 Q76EI6 UNP 5 W +ATOM 35 O O . TRP A 1 5 ? -15.598 -20.748 4.861 1.00 80.44 ? 5 TRP A O 1 Q76EI6 UNP 5 W +ATOM 36 C CG . TRP A 1 5 ? -18.621 -23.998 4.664 1.00 80.44 ? 5 TRP A CG 1 Q76EI6 UNP 5 W +ATOM 37 C CD1 . TRP A 1 5 ? -19.735 -24.601 5.139 1.00 80.44 ? 5 TRP A CD1 1 Q76EI6 UNP 5 W +ATOM 38 C CD2 . TRP A 1 5 ? -17.812 -25.057 4.069 1.00 80.44 ? 5 TRP A CD2 1 Q76EI6 UNP 5 W +ATOM 39 C CE2 . TRP A 1 5 ? -18.505 -26.294 4.224 1.00 80.44 ? 5 TRP A CE2 1 Q76EI6 UNP 5 W +ATOM 40 C CE3 . TRP A 1 5 ? -16.563 -25.093 3.412 1.00 80.44 ? 5 TRP A CE3 1 Q76EI6 UNP 5 W +ATOM 41 N NE1 . TRP A 1 5 ? -19.668 -25.958 4.884 1.00 80.44 ? 5 TRP A NE1 1 Q76EI6 UNP 5 W +ATOM 42 C CH2 . TRP A 1 5 ? -16.741 -27.511 3.101 1.00 80.44 ? 5 TRP A CH2 1 Q76EI6 UNP 5 W +ATOM 43 C CZ2 . TRP A 1 5 ? -17.987 -27.508 3.751 1.00 80.44 ? 5 TRP A CZ2 1 Q76EI6 UNP 5 W +ATOM 44 C CZ3 . TRP A 1 5 ? -16.033 -26.306 2.932 1.00 80.44 ? 5 TRP A CZ3 1 Q76EI6 UNP 5 W +ATOM 45 N N . HIS A 1 6 ? -17.298 -19.710 5.904 1.00 82.56 ? 6 HIS A N 1 Q76EI6 UNP 6 H +ATOM 46 C CA . HIS A 1 6 ? -16.863 -18.350 5.631 1.00 82.56 ? 6 HIS A CA 1 Q76EI6 UNP 6 H +ATOM 47 C C . HIS A 1 6 ? -15.600 -17.991 6.435 1.00 82.56 ? 6 HIS A C 1 Q76EI6 UNP 6 H +ATOM 48 C CB . HIS A 1 6 ? -18.050 -17.429 5.928 1.00 82.56 ? 6 HIS A CB 1 Q76EI6 UNP 6 H +ATOM 49 O O . HIS A 1 6 ? -14.572 -17.614 5.862 1.00 82.56 ? 6 HIS A O 1 Q76EI6 UNP 6 H +ATOM 50 C CG . HIS A 1 6 ? -17.704 -15.999 5.684 1.00 82.56 ? 6 HIS A CG 1 Q76EI6 UNP 6 H +ATOM 51 C CD2 . HIS A 1 6 ? -17.567 -15.022 6.632 1.00 82.56 ? 6 HIS A CD2 1 Q76EI6 UNP 6 H +ATOM 52 N ND1 . HIS A 1 6 ? -17.340 -15.464 4.475 1.00 82.56 ? 6 HIS A ND1 1 Q76EI6 UNP 6 H +ATOM 53 C CE1 . HIS A 1 6 ? -16.979 -14.197 4.693 1.00 82.56 ? 6 HIS A CE1 1 Q76EI6 UNP 6 H +ATOM 54 N NE2 . HIS A 1 6 ? -17.089 -13.881 5.991 1.00 82.56 ? 6 HIS A NE2 1 Q76EI6 UNP 6 H +ATOM 55 N N . SER A 1 7 ? -15.627 -18.227 7.746 1.00 83.81 ? 7 SER A N 1 Q76EI6 UNP 7 S +ATOM 56 C CA . SER A 1 7 ? -14.485 -18.157 8.654 1.00 83.81 ? 7 SER A CA 1 Q76EI6 UNP 7 S +ATOM 57 C C . SER A 1 7 ? -13.351 -19.070 8.202 1.00 83.81 ? 7 SER A C 1 Q76EI6 UNP 7 S +ATOM 58 C CB . SER A 1 7 ? -14.907 -18.570 10.071 1.00 83.81 ? 7 SER A CB 1 Q76EI6 UNP 7 S +ATOM 59 O O . SER A 1 7 ? -12.195 -18.667 8.277 1.00 83.81 ? 7 SER A O 1 Q76EI6 UNP 7 S +ATOM 60 O OG . SER A 1 7 ? -15.786 -17.636 10.660 1.00 83.81 ? 7 SER A OG 1 Q76EI6 UNP 7 S +ATOM 61 N N . SER A 1 8 ? -13.649 -20.261 7.674 1.00 89.38 ? 8 SER A N 1 Q76EI6 UNP 8 S +ATOM 62 C CA . SER A 1 8 ? -12.633 -21.204 7.183 1.00 89.38 ? 8 SER A CA 1 Q76EI6 UNP 8 S +ATOM 63 C C . SER A 1 8 ? -11.847 -20.662 5.983 1.00 89.38 ? 8 SER A C 1 Q76EI6 UNP 8 S +ATOM 64 C CB . SER A 1 8 ? -13.271 -22.544 6.804 1.00 89.38 ? 8 SER A CB 1 Q76EI6 UNP 8 S +ATOM 65 O O . SER A 1 8 ? -10.625 -20.828 5.923 1.00 89.38 ? 8 SER A O 1 Q76EI6 UNP 8 S +ATOM 66 O OG . SER A 1 8 ? -13.865 -23.154 7.930 1.00 89.38 ? 8 SER A OG 1 Q76EI6 UNP 8 S +ATOM 67 N N . LEU A 1 9 ? -12.511 -19.978 5.043 1.00 93.19 ? 9 LEU A N 1 Q76EI6 UNP 9 L +ATOM 68 C CA . LEU A 1 9 ? -11.847 -19.352 3.891 1.00 93.19 ? 9 LEU A CA 1 Q76EI6 UNP 9 L +ATOM 69 C C . LEU A 1 9 ? -10.939 -18.197 4.323 1.00 93.19 ? 9 LEU A C 1 Q76EI6 UNP 9 L +ATOM 70 C CB . LEU A 1 9 ? -12.899 -18.854 2.883 1.00 93.19 ? 9 LEU A CB 1 Q76EI6 UNP 9 L +ATOM 71 O O . LEU A 1 9 ? -9.778 -18.140 3.914 1.00 93.19 ? 9 LEU A O 1 Q76EI6 UNP 9 L +ATOM 72 C CG . LEU A 1 9 ? -13.588 -19.963 2.069 1.00 93.19 ? 9 LEU A CG 1 Q76EI6 UNP 9 L +ATOM 73 C CD1 . LEU A 1 9 ? -14.728 -19.355 1.250 1.00 93.19 ? 9 LEU A CD1 1 Q76EI6 UNP 9 L +ATOM 74 C CD2 . LEU A 1 9 ? -12.621 -20.651 1.100 1.00 93.19 ? 9 LEU A CD2 1 Q76EI6 UNP 9 L +ATOM 75 N N . ILE A 1 10 ? -11.443 -17.312 5.184 1.00 94.19 ? 10 ILE A N 1 Q76EI6 UNP 10 I +ATOM 76 C CA . ILE A 1 10 ? -10.686 -16.167 5.711 1.00 94.19 ? 10 ILE A CA 1 Q76EI6 UNP 10 I +ATOM 77 C C . ILE A 1 10 ? -9.494 -16.642 6.549 1.00 94.19 ? 10 ILE A C 1 Q76EI6 UNP 10 I +ATOM 78 C CB . ILE A 1 10 ? -11.641 -15.245 6.500 1.00 94.19 ? 10 ILE A CB 1 Q76EI6 UNP 10 I +ATOM 79 O O . ILE A 1 10 ? -8.376 -16.157 6.371 1.00 94.19 ? 10 ILE A O 1 Q76EI6 UNP 10 I +ATOM 80 C CG1 . ILE A 1 10 ? -12.593 -14.553 5.495 1.00 94.19 ? 10 ILE A CG1 1 Q76EI6 UNP 10 I +ATOM 81 C CG2 . ILE A 1 10 ? -10.849 -14.220 7.334 1.00 94.19 ? 10 ILE A CG2 1 Q76EI6 UNP 10 I +ATOM 82 C CD1 . ILE A 1 10 ? -13.769 -13.816 6.130 1.00 94.19 ? 10 ILE A CD1 1 Q76EI6 UNP 10 I +ATOM 83 N N . LEU A 1 11 ? -9.709 -17.639 7.408 1.00 95.44 ? 11 LEU A N 1 Q76EI6 UNP 11 L +ATOM 84 C CA . LEU A 1 11 ? -8.663 -18.281 8.199 1.00 95.44 ? 11 LEU A CA 1 Q76EI6 UNP 11 L +ATOM 85 C C . LEU A 1 11 ? -7.552 -18.836 7.302 1.00 95.44 ? 11 LEU A C 1 Q76EI6 UNP 11 L +ATOM 86 C CB . LEU A 1 11 ? -9.316 -19.392 9.043 1.00 95.44 ? 11 LEU A CB 1 Q76EI6 UNP 11 L +ATOM 87 O O . LEU A 1 11 ? -6.376 -18.540 7.515 1.00 95.44 ? 11 LEU A O 1 Q76EI6 UNP 11 L +ATOM 88 C CG . LEU A 1 11 ? -8.335 -20.233 9.871 1.00 95.44 ? 11 LEU A CG 1 Q76EI6 UNP 11 L +ATOM 89 C CD1 . LEU A 1 11 ? -7.618 -19.373 10.905 1.00 95.44 ? 11 LEU A CD1 1 Q76EI6 UNP 11 L +ATOM 90 C CD2 . LEU A 1 11 ? -9.093 -21.345 10.592 1.00 95.44 ? 11 LEU A CD2 1 Q76EI6 UNP 11 L +ATOM 91 N N . THR A 1 12 ? -7.924 -19.602 6.274 1.00 96.19 ? 12 THR A N 1 Q76EI6 UNP 12 T +ATOM 92 C CA . THR A 1 12 ? -6.969 -20.179 5.317 1.00 96.19 ? 12 THR A CA 1 Q76EI6 UNP 12 T +ATOM 93 C C . THR A 1 12 ? -6.186 -19.083 4.600 1.00 96.19 ? 12 THR A C 1 Q76EI6 UNP 12 T +ATOM 94 C CB . THR A 1 12 ? -7.684 -21.071 4.291 1.00 96.19 ? 12 THR A CB 1 Q76EI6 UNP 12 T +ATOM 95 O O . THR A 1 12 ? -4.960 -19.162 4.513 1.00 96.19 ? 12 THR A O 1 Q76EI6 UNP 12 T +ATOM 96 C CG2 . THR A 1 12 ? -6.706 -21.755 3.336 1.00 96.19 ? 12 THR A CG2 1 Q76EI6 UNP 12 T +ATOM 97 O OG1 . THR A 1 12 ? -8.379 -22.097 4.960 1.00 96.19 ? 12 THR A OG1 1 Q76EI6 UNP 12 T +ATOM 98 N N . ALA A 1 13 ? -6.862 -18.029 4.136 1.00 97.00 ? 13 ALA A N 1 Q76EI6 UNP 13 A +ATOM 99 C CA . ALA A 1 13 ? -6.213 -16.905 3.472 1.00 97.00 ? 13 ALA A CA 1 Q76EI6 UNP 13 A +ATOM 100 C C . ALA A 1 13 ? -5.187 -16.217 4.385 1.00 97.00 ? 13 ALA A C 1 Q76EI6 UNP 13 A +ATOM 101 C CB . ALA A 1 13 ? -7.288 -15.934 2.980 1.00 97.00 ? 13 ALA A CB 1 Q76EI6 UNP 13 A +ATOM 102 O O . ALA A 1 13 ? -4.045 -16.020 3.971 1.00 97.00 ? 13 ALA A O 1 Q76EI6 UNP 13 A +ATOM 103 N N . TYR A 1 14 ? -5.537 -15.918 5.639 1.00 97.75 ? 14 TYR A N 1 Q76EI6 UNP 14 Y +ATOM 104 C CA . TYR A 1 14 ? -4.600 -15.312 6.588 1.00 97.75 ? 14 TYR A CA 1 Q76EI6 UNP 14 Y +ATOM 105 C C . TYR A 1 14 ? -3.400 -16.206 6.907 1.00 97.75 ? 14 TYR A C 1 Q76EI6 UNP 14 Y +ATOM 106 C CB . TYR A 1 14 ? -5.325 -14.918 7.881 1.00 97.75 ? 14 TYR A CB 1 Q76EI6 UNP 14 Y +ATOM 107 O O . TYR A 1 14 ? -2.277 -15.704 6.969 1.00 97.75 ? 14 TYR A O 1 Q76EI6 UNP 14 Y +ATOM 108 C CG . TYR A 1 14 ? -6.263 -13.727 7.803 1.00 97.75 ? 14 TYR A CG 1 Q76EI6 UNP 14 Y +ATOM 109 C CD1 . TYR A 1 14 ? -5.957 -12.614 6.992 1.00 97.75 ? 14 TYR A CD1 1 Q76EI6 UNP 14 Y +ATOM 110 C CD2 . TYR A 1 14 ? -7.404 -13.689 8.630 1.00 97.75 ? 14 TYR A CD2 1 Q76EI6 UNP 14 Y +ATOM 111 C CE1 . TYR A 1 14 ? -6.767 -11.469 7.026 1.00 97.75 ? 14 TYR A CE1 1 Q76EI6 UNP 14 Y +ATOM 112 C CE2 . TYR A 1 14 ? -8.238 -12.554 8.638 1.00 97.75 ? 14 TYR A CE2 1 Q76EI6 UNP 14 Y +ATOM 113 O OH . TYR A 1 14 ? -8.717 -10.343 7.811 1.00 97.75 ? 14 TYR A OH 1 Q76EI6 UNP 14 Y +ATOM 114 C CZ . TYR A 1 14 ? -7.919 -11.441 7.832 1.00 97.75 ? 14 TYR A CZ 1 Q76EI6 UNP 14 Y +ATOM 115 N N . ILE A 1 15 ? -3.597 -17.519 7.051 1.00 97.75 ? 15 ILE A N 1 Q76EI6 UNP 15 I +ATOM 116 C CA . ILE A 1 15 ? -2.489 -18.466 7.247 1.00 97.75 ? 15 ILE A CA 1 Q76EI6 UNP 15 I +ATOM 117 C C . ILE A 1 15 ? -1.545 -18.444 6.037 1.00 97.75 ? 15 ILE A C 1 Q76EI6 UNP 15 I +ATOM 118 C CB . ILE A 1 15 ? -3.030 -19.884 7.543 1.00 97.75 ? 15 ILE A CB 1 Q76EI6 UNP 15 I +ATOM 119 O O . ILE A 1 15 ? -0.331 -18.338 6.208 1.00 97.75 ? 15 ILE A O 1 Q76EI6 UNP 15 I +ATOM 120 C CG1 . ILE A 1 15 ? -3.702 -19.913 8.936 1.00 97.75 ? 15 ILE A CG1 1 Q76EI6 UNP 15 I +ATOM 121 C CG2 . ILE A 1 15 ? -1.902 -20.934 7.480 1.00 97.75 ? 15 ILE A CG2 1 Q76EI6 UNP 15 I +ATOM 122 C CD1 . ILE A 1 15 ? -4.533 -21.176 9.191 1.00 97.75 ? 15 ILE A CD1 1 Q76EI6 UNP 15 I +ATOM 123 N N . LEU A 1 16 ? -2.078 -18.491 4.812 1.00 97.69 ? 16 LEU A N 1 Q76EI6 UNP 16 L +ATOM 124 C CA . LEU A 1 16 ? -1.265 -18.441 3.593 1.00 97.69 ? 16 LEU A CA 1 Q76EI6 UNP 16 L +ATOM 125 C C . LEU A 1 16 ? -0.510 -17.113 3.457 1.00 97.69 ? 16 LEU A C 1 Q76EI6 UNP 16 L +ATOM 126 C CB . LEU A 1 16 ? -2.155 -18.694 2.364 1.00 97.69 ? 16 LEU A CB 1 Q76EI6 UNP 16 L +ATOM 127 O O . LEU A 1 16 ? 0.679 -17.118 3.131 1.00 97.69 ? 16 LEU A O 1 Q76EI6 UNP 16 L +ATOM 128 C CG . LEU A 1 16 ? -2.706 -20.128 2.248 1.00 97.69 ? 16 LEU A CG 1 Q76EI6 UNP 16 L +ATOM 129 C CD1 . LEU A 1 16 ? -3.629 -20.215 1.032 1.00 97.69 ? 16 LEU A CD1 1 Q76EI6 UNP 16 L +ATOM 130 C CD2 . LEU A 1 16 ? -1.598 -21.170 2.084 1.00 97.69 ? 16 LEU A CD2 1 Q76EI6 UNP 16 L +ATOM 131 N N . ILE A 1 17 ? -1.163 -15.987 3.754 1.00 98.06 ? 17 ILE A N 1 Q76EI6 UNP 17 I +ATOM 132 C CA . ILE A 1 17 ? -0.535 -14.657 3.770 1.00 98.06 ? 17 ILE A CA 1 Q76EI6 UNP 17 I +ATOM 133 C C . ILE A 1 17 ? 0.611 -14.623 4.778 1.00 98.06 ? 17 ILE A C 1 Q76EI6 UNP 17 I +ATOM 134 C CB . ILE A 1 17 ? -1.582 -13.566 4.082 1.00 98.06 ? 17 ILE A CB 1 Q76EI6 UNP 17 I +ATOM 135 O O . ILE A 1 17 ? 1.699 -14.162 4.444 1.00 98.06 ? 17 ILE A O 1 Q76EI6 UNP 17 I +ATOM 136 C CG1 . ILE A 1 17 ? -2.536 -13.414 2.883 1.00 98.06 ? 17 ILE A CG1 1 Q76EI6 UNP 17 I +ATOM 137 C CG2 . ILE A 1 17 ? -0.922 -12.201 4.367 1.00 98.06 ? 17 ILE A CG2 1 Q76EI6 UNP 17 I +ATOM 138 C CD1 . ILE A 1 17 ? -3.831 -12.663 3.210 1.00 98.06 ? 17 ILE A CD1 1 Q76EI6 UNP 17 I +ATOM 139 N N . PHE A 1 18 ? 0.407 -15.148 5.987 1.00 98.00 ? 18 PHE A N 1 Q76EI6 UNP 18 F +ATOM 140 C CA . PHE A 1 18 ? 1.445 -15.195 7.012 1.00 98.00 ? 18 PHE A CA 1 Q76EI6 UNP 18 F +ATOM 141 C C . PHE A 1 18 ? 2.647 -16.040 6.569 1.00 98.00 ? 18 PHE A C 1 Q76EI6 UNP 18 F +ATOM 142 C CB . PHE A 1 18 ? 0.844 -15.733 8.315 1.00 98.00 ? 18 PHE A CB 1 Q76EI6 UNP 18 F +ATOM 143 O O . PHE A 1 18 ? 3.786 -15.570 6.603 1.00 98.00 ? 18 PHE A O 1 Q76EI6 UNP 18 F +ATOM 144 C CG . PHE A 1 18 ? 1.831 -15.725 9.460 1.00 98.00 ? 18 PHE A CG 1 Q76EI6 UNP 18 F +ATOM 145 C CD1 . PHE A 1 18 ? 2.458 -16.923 9.851 1.00 98.00 ? 18 PHE A CD1 1 Q76EI6 UNP 18 F +ATOM 146 C CD2 . PHE A 1 18 ? 2.139 -14.522 10.122 1.00 98.00 ? 18 PHE A CD2 1 Q76EI6 UNP 18 F +ATOM 147 C CE1 . PHE A 1 18 ? 3.377 -16.921 10.914 1.00 98.00 ? 18 PHE A CE1 1 Q76EI6 UNP 18 F +ATOM 148 C CE2 . PHE A 1 18 ? 3.056 -14.522 11.187 1.00 98.00 ? 18 PHE A CE2 1 Q76EI6 UNP 18 F +ATOM 149 C CZ . PHE A 1 18 ? 3.667 -15.723 11.588 1.00 98.00 ? 18 PHE A CZ 1 Q76EI6 UNP 18 F +ATOM 150 N N . LEU A 1 19 ? 2.397 -17.268 6.104 1.00 97.31 ? 19 LEU A N 1 Q76EI6 UNP 19 L +ATOM 151 C CA . LEU A 1 19 ? 3.442 -18.221 5.718 1.00 97.31 ? 19 LEU A CA 1 Q76EI6 UNP 19 L +ATOM 152 C C . LEU A 1 19 ? 4.253 -17.768 4.500 1.00 97.31 ? 19 LEU A C 1 Q76EI6 UNP 19 L +ATOM 153 C CB . LEU A 1 19 ? 2.802 -19.594 5.444 1.00 97.31 ? 19 LEU A CB 1 Q76EI6 UNP 19 L +ATOM 154 O O . LEU A 1 19 ? 5.442 -18.070 4.412 1.00 97.31 ? 19 LEU A O 1 Q76EI6 UNP 19 L +ATOM 155 C CG . LEU A 1 19 ? 2.255 -20.322 6.687 1.00 97.31 ? 19 LEU A CG 1 Q76EI6 UNP 19 L +ATOM 156 C CD1 . LEU A 1 19 ? 1.609 -21.636 6.247 1.00 97.31 ? 19 LEU A CD1 1 Q76EI6 UNP 19 L +ATOM 157 C CD2 . LEU A 1 19 ? 3.348 -20.640 7.709 1.00 97.31 ? 19 LEU A CD2 1 Q76EI6 UNP 19 L +ATOM 158 N N . THR A 1 20 ? 3.638 -17.044 3.565 1.00 95.69 ? 20 THR A N 1 Q76EI6 UNP 20 T +ATOM 159 C CA . THR A 1 20 ? 4.325 -16.522 2.373 1.00 95.69 ? 20 THR A CA 1 Q76EI6 UNP 20 T +ATOM 160 C C . THR A 1 20 ? 4.957 -15.152 2.617 1.00 95.69 ? 20 THR A C 1 Q76EI6 UNP 20 T +ATOM 161 C CB . THR A 1 20 ? 3.384 -16.470 1.163 1.00 95.69 ? 20 THR A CB 1 Q76EI6 UNP 20 T +ATOM 162 O O . THR A 1 20 ? 6.109 -14.926 2.240 1.00 95.69 ? 20 THR A O 1 Q76EI6 UNP 20 T +ATOM 163 C CG2 . THR A 1 20 ? 2.924 -17.862 0.730 1.00 95.69 ? 20 THR A CG2 1 Q76EI6 UNP 20 T +ATOM 164 O OG1 . THR A 1 20 ? 2.239 -15.701 1.441 1.00 95.69 ? 20 THR A OG1 1 Q76EI6 UNP 20 T +ATOM 165 N N . GLY A 1 21 ? 4.242 -14.250 3.291 1.00 96.88 ? 21 GLY A N 1 Q76EI6 UNP 21 G +ATOM 166 C CA . GLY A 1 21 ? 4.672 -12.881 3.552 1.00 96.88 ? 21 GLY A CA 1 Q76EI6 UNP 21 G +ATOM 167 C C . GLY A 1 21 ? 5.818 -12.791 4.553 1.00 96.88 ? 21 GLY A C 1 Q76EI6 UNP 21 G +ATOM 168 O O . GLY A 1 21 ? 6.775 -12.056 4.304 1.00 96.88 ? 21 GLY A O 1 Q76EI6 UNP 21 G +ATOM 169 N N . LEU A 1 22 ? 5.782 -13.542 5.661 1.00 96.81 ? 22 LEU A N 1 Q76EI6 UNP 22 L +ATOM 170 C CA . LEU A 1 22 ? 6.781 -13.401 6.727 1.00 96.81 ? 22 LEU A CA 1 Q76EI6 UNP 22 L +ATOM 171 C C . LEU A 1 22 ? 8.205 -13.763 6.269 1.00 96.81 ? 22 LEU A C 1 Q76EI6 UNP 22 L +ATOM 172 C CB . LEU A 1 22 ? 6.310 -14.117 8.010 1.00 96.81 ? 22 LEU A CB 1 Q76EI6 UNP 22 L +ATOM 173 O O . LEU A 1 22 ? 9.090 -12.912 6.397 1.00 96.81 ? 22 LEU A O 1 Q76EI6 UNP 22 L +ATOM 174 C CG . LEU A 1 22 ? 7.288 -13.973 9.188 1.00 96.81 ? 22 LEU A CG 1 Q76EI6 UNP 22 L +ATOM 175 C CD1 . LEU A 1 22 ? 7.330 -12.535 9.709 1.00 96.81 ? 22 LEU A CD1 1 Q76EI6 UNP 22 L +ATOM 176 C CD2 . LEU A 1 22 ? 6.877 -14.890 10.335 1.00 96.81 ? 22 LEU A CD2 1 Q76EI6 UNP 22 L +ATOM 177 N N . PRO A 1 23 ? 8.476 -14.943 5.675 1.00 95.06 ? 23 PRO A N 1 Q76EI6 UNP 23 P +ATOM 178 C CA . PRO A 1 23 ? 9.827 -15.267 5.215 1.00 95.06 ? 23 PRO A CA 1 Q76EI6 UNP 23 P +ATOM 179 C C . PRO A 1 23 ? 10.327 -14.300 4.136 1.00 95.06 ? 23 PRO A C 1 Q76EI6 UNP 23 P +ATOM 180 C CB . PRO A 1 23 ? 9.748 -16.703 4.681 1.00 95.06 ? 23 PRO A CB 1 Q76EI6 UNP 23 P +ATOM 181 O O . PRO A 1 23 ? 11.495 -13.898 4.142 1.00 95.06 ? 23 PRO A O 1 Q76EI6 UNP 23 P +ATOM 182 C CG . PRO A 1 23 ? 8.523 -17.286 5.381 1.00 95.06 ? 23 PRO A CG 1 Q76EI6 UNP 23 P +ATOM 183 C CD . PRO A 1 23 ? 7.593 -16.082 5.465 1.00 95.06 ? 23 PRO A CD 1 Q76EI6 UNP 23 P +ATOM 184 N N . ALA A 1 24 ? 9.440 -13.893 3.223 1.00 93.94 ? 24 ALA A N 1 Q76EI6 UNP 24 A +ATOM 185 C CA . ALA A 1 24 ? 9.788 -13.004 2.126 1.00 93.94 ? 24 ALA A CA 1 Q76EI6 UNP 24 A +ATOM 186 C C . ALA A 1 24 ? 10.158 -11.595 2.621 1.00 93.94 ? 24 ALA A C 1 Q76EI6 UNP 24 A +ATOM 187 C CB . ALA A 1 24 ? 8.626 -12.999 1.135 1.00 93.94 ? 24 ALA A CB 1 Q76EI6 UNP 24 A +ATOM 188 O O . ALA A 1 24 ? 11.171 -11.038 2.183 1.00 93.94 ? 24 ALA A O 1 Q76EI6 UNP 24 A +ATOM 189 N N . ASN A 1 25 ? 9.408 -11.052 3.584 1.00 95.88 ? 25 ASN A N 1 Q76EI6 UNP 25 N +ATOM 190 C CA . ASN A 1 25 ? 9.695 -9.750 4.185 1.00 95.88 ? 25 ASN A CA 1 Q76EI6 UNP 25 N +ATOM 191 C C . ASN A 1 25 ? 10.899 -9.780 5.128 1.00 95.88 ? 25 ASN A C 1 Q76EI6 UNP 25 N +ATOM 192 C CB . ASN A 1 25 ? 8.443 -9.192 4.867 1.00 95.88 ? 25 ASN A CB 1 Q76EI6 UNP 25 N +ATOM 193 O O . ASN A 1 25 ? 11.666 -8.823 5.146 1.00 95.88 ? 25 ASN A O 1 Q76EI6 UNP 25 N +ATOM 194 C CG . ASN A 1 25 ? 7.519 -8.617 3.822 1.00 95.88 ? 25 ASN A CG 1 Q76EI6 UNP 25 N +ATOM 195 N ND2 . ASN A 1 25 ? 6.481 -9.330 3.477 1.00 95.88 ? 25 ASN A ND2 1 Q76EI6 UNP 25 N +ATOM 196 O OD1 . ASN A 1 25 ? 7.814 -7.588 3.246 1.00 95.88 ? 25 ASN A OD1 1 Q76EI6 UNP 25 N +ATOM 197 N N . LEU A 1 26 ? 11.166 -10.879 5.838 1.00 95.81 ? 26 LEU A N 1 Q76EI6 UNP 26 L +ATOM 198 C CA . LEU A 1 26 ? 12.407 -11.023 6.615 1.00 95.81 ? 26 LEU A CA 1 Q76EI6 UNP 26 L +ATOM 199 C C . LEU A 1 26 ? 13.649 -11.035 5.710 1.00 95.81 ? 26 LEU A C 1 Q76EI6 UNP 26 L +ATOM 200 C CB . LEU A 1 26 ? 12.336 -12.302 7.465 1.00 95.81 ? 26 LEU A CB 1 Q76EI6 UNP 26 L +ATOM 201 O O . LEU A 1 26 ? 14.668 -10.403 6.016 1.00 95.81 ? 26 LEU A O 1 Q76EI6 UNP 26 L +ATOM 202 C CG . LEU A 1 26 ? 11.359 -12.226 8.654 1.00 95.81 ? 26 LEU A CG 1 Q76EI6 UNP 26 L +ATOM 203 C CD1 . LEU A 1 26 ? 11.287 -13.599 9.322 1.00 95.81 ? 26 LEU A CD1 1 Q76EI6 UNP 26 L +ATOM 204 C CD2 . LEU A 1 26 ? 11.798 -11.200 9.701 1.00 95.81 ? 26 LEU A CD2 1 Q76EI6 UNP 26 L +ATOM 205 N N . LEU A 1 27 ? 13.566 -11.701 4.554 1.00 93.81 ? 27 LEU A N 1 Q76EI6 UNP 27 L +ATOM 206 C CA . LEU A 1 27 ? 14.634 -11.668 3.555 1.00 93.81 ? 27 LEU A CA 1 Q76EI6 UNP 27 L +ATOM 207 C C . LEU A 1 27 ? 14.808 -10.264 2.955 1.00 93.81 ? 27 LEU A C 1 Q76EI6 UNP 27 L +ATOM 208 C CB . LEU A 1 27 ? 14.341 -12.726 2.479 1.00 93.81 ? 27 LEU A CB 1 Q76EI6 UNP 27 L +ATOM 209 O O . LEU A 1 27 ? 15.943 -9.794 2.806 1.00 93.81 ? 27 LEU A O 1 Q76EI6 UNP 27 L +ATOM 210 C CG . LEU A 1 27 ? 15.431 -12.828 1.397 1.00 93.81 ? 27 LEU A CG 1 Q76EI6 UNP 27 L +ATOM 211 C CD1 . LEU A 1 27 ? 16.807 -13.181 1.973 1.00 93.81 ? 27 LEU A CD1 1 Q76EI6 UNP 27 L +ATOM 212 C CD2 . LEU A 1 27 ? 15.051 -13.908 0.392 1.00 93.81 ? 27 LEU A CD2 1 Q76EI6 UNP 27 L +ATOM 213 N N . ALA A 1 28 ? 13.701 -9.585 2.640 1.00 94.12 ? 28 ALA A N 1 Q76EI6 UNP 28 A +ATOM 214 C CA . ALA A 1 28 ? 13.707 -8.204 2.164 1.00 94.12 ? 28 ALA A CA 1 Q76EI6 UNP 28 A +ATOM 215 C C . ALA A 1 28 ? 14.303 -7.247 3.207 1.00 94.12 ? 28 ALA A C 1 Q76EI6 UNP 28 A +ATOM 216 C CB . ALA A 1 28 ? 12.281 -7.806 1.772 1.00 94.12 ? 28 ALA A CB 1 Q76EI6 UNP 28 A +ATOM 217 O O . ALA A 1 28 ? 15.166 -6.438 2.863 1.00 94.12 ? 28 ALA A O 1 Q76EI6 UNP 28 A +ATOM 218 N N . LEU A 1 29 ? 13.951 -7.406 4.486 1.00 95.69 ? 29 LEU A N 1 Q76EI6 UNP 29 L +ATOM 219 C CA . LEU A 1 29 ? 14.458 -6.607 5.600 1.00 95.69 ? 29 LEU A CA 1 Q76EI6 UNP 29 L +ATOM 220 C C . LEU A 1 29 ? 15.980 -6.697 5.665 1.00 95.69 ? 29 LEU A C 1 Q76EI6 UNP 29 L +ATOM 221 C CB . LEU A 1 29 ? 13.811 -7.090 6.915 1.00 95.69 ? 29 LEU A CB 1 Q76EI6 UNP 29 L +ATOM 222 O O . LEU A 1 29 ? 16.663 -5.675 5.625 1.00 95.69 ? 29 LEU A O 1 Q76EI6 UNP 29 L +ATOM 223 C CG . LEU A 1 29 ? 14.321 -6.356 8.170 1.00 95.69 ? 29 LEU A CG 1 Q76EI6 UNP 29 L +ATOM 224 C CD1 . LEU A 1 29 ? 13.871 -4.898 8.180 1.00 95.69 ? 29 LEU A CD1 1 Q76EI6 UNP 29 L +ATOM 225 C CD2 . LEU A 1 29 ? 13.827 -7.035 9.443 1.00 95.69 ? 29 LEU A CD2 1 Q76EI6 UNP 29 L +ATOM 226 N N . ARG A 1 30 ? 16.535 -7.914 5.677 1.00 95.19 ? 30 ARG A N 1 Q76EI6 UNP 30 R +ATOM 227 C CA . ARG A 1 30 ? 17.992 -8.119 5.664 1.00 95.19 ? 30 ARG A CA 1 Q76EI6 UNP 30 R +ATOM 228 C C . ARG A 1 30 ? 18.647 -7.430 4.464 1.00 95.19 ? 30 ARG A C 1 Q76EI6 UNP 30 R +ATOM 229 C CB . ARG A 1 30 ? 18.272 -9.628 5.678 1.00 95.19 ? 30 ARG A CB 1 Q76EI6 UNP 30 R +ATOM 230 O O . ARG A 1 30 ? 19.687 -6.781 4.611 1.00 95.19 ? 30 ARG A O 1 Q76EI6 UNP 30 R +ATOM 231 C CG . ARG A 1 30 ? 19.777 -9.932 5.655 1.00 95.19 ? 30 ARG A CG 1 Q76EI6 UNP 30 R +ATOM 232 C CD . ARG A 1 30 ? 20.017 -11.439 5.575 1.00 95.19 ? 30 ARG A CD 1 Q76EI6 UNP 30 R +ATOM 233 N NE . ARG A 1 30 ? 21.451 -11.733 5.367 1.00 95.19 ? 30 ARG A NE 1 Q76EI6 UNP 30 R +ATOM 234 N NH1 . ARG A 1 30 ? 21.215 -13.477 3.886 1.00 95.19 ? 30 ARG A NH1 1 Q76EI6 UNP 30 R +ATOM 235 N NH2 . ARG A 1 30 ? 23.252 -12.870 4.564 1.00 95.19 ? 30 ARG A NH2 1 Q76EI6 UNP 30 R +ATOM 236 C CZ . ARG A 1 30 ? 21.962 -12.684 4.605 1.00 95.19 ? 30 ARG A CZ 1 Q76EI6 UNP 30 R +ATOM 237 N N . ALA A 1 31 ? 18.054 -7.570 3.279 1.00 93.00 ? 31 ALA A N 1 Q76EI6 UNP 31 A +ATOM 238 C CA . ALA A 1 31 ? 18.565 -6.975 2.049 1.00 93.00 ? 31 ALA A CA 1 Q76EI6 UNP 31 A +ATOM 239 C C . ALA A 1 31 ? 18.552 -5.436 2.097 1.00 93.00 ? 31 ALA A C 1 Q76EI6 UNP 31 A +ATOM 240 C CB . ALA A 1 31 ? 17.744 -7.527 0.877 1.00 93.00 ? 31 ALA A CB 1 Q76EI6 UNP 31 A +ATOM 241 O O . ALA A 1 31 ? 19.547 -4.798 1.739 1.00 93.00 ? 31 ALA A O 1 Q76EI6 UNP 31 A +ATOM 242 N N . PHE A 1 32 ? 17.460 -4.830 2.562 1.00 94.69 ? 32 PHE A N 1 Q76EI6 UNP 32 F +ATOM 243 C CA . PHE A 1 32 ? 17.314 -3.378 2.626 1.00 94.69 ? 32 PHE A CA 1 Q76EI6 UNP 32 F +ATOM 244 C C . PHE A 1 32 ? 18.104 -2.752 3.772 1.00 94.69 ? 32 PHE A C 1 Q76EI6 UNP 32 F +ATOM 245 C CB . PHE A 1 32 ? 15.832 -2.995 2.676 1.00 94.69 ? 32 PHE A CB 1 Q76EI6 UNP 32 F +ATOM 246 O O . PHE A 1 32 ? 18.734 -1.721 3.554 1.00 94.69 ? 32 PHE A O 1 Q76EI6 UNP 32 F +ATOM 247 C CG . PHE A 1 32 ? 15.063 -3.297 1.404 1.00 94.69 ? 32 PHE A CG 1 Q76EI6 UNP 32 F +ATOM 248 C CD1 . PHE A 1 32 ? 15.543 -2.850 0.156 1.00 94.69 ? 32 PHE A CD1 1 Q76EI6 UNP 32 F +ATOM 249 C CD2 . PHE A 1 32 ? 13.832 -3.973 1.470 1.00 94.69 ? 32 PHE A CD2 1 Q76EI6 UNP 32 F +ATOM 250 C CE1 . PHE A 1 32 ? 14.811 -3.101 -1.016 1.00 94.69 ? 32 PHE A CE1 1 Q76EI6 UNP 32 F +ATOM 251 C CE2 . PHE A 1 32 ? 13.090 -4.208 0.300 1.00 94.69 ? 32 PHE A CE2 1 Q76EI6 UNP 32 F +ATOM 252 C CZ . PHE A 1 32 ? 13.580 -3.776 -0.943 1.00 94.69 ? 32 PHE A CZ 1 Q76EI6 UNP 32 F +ATOM 253 N N . VAL A 1 33 ? 18.196 -3.401 4.935 1.00 96.50 ? 33 VAL A N 1 Q76EI6 UNP 33 V +ATOM 254 C CA . VAL A 1 33 ? 19.086 -2.974 6.028 1.00 96.50 ? 33 VAL A CA 1 Q76EI6 UNP 33 V +ATOM 255 C C . VAL A 1 33 ? 20.537 -2.956 5.555 1.00 96.50 ? 33 VAL A C 1 Q76EI6 UNP 33 V +ATOM 256 C CB . VAL A 1 33 ? 18.917 -3.880 7.264 1.00 96.50 ? 33 VAL A CB 1 Q76EI6 UNP 33 V +ATOM 257 O O . VAL A 1 33 ? 21.228 -1.950 5.717 1.00 96.50 ? 33 VAL A O 1 Q76EI6 UNP 33 V +ATOM 258 C CG1 . VAL A 1 33 ? 20.011 -3.645 8.313 1.00 96.50 ? 33 VAL A CG1 1 Q76EI6 UNP 33 V +ATOM 259 C CG2 . VAL A 1 33 ? 17.571 -3.617 7.945 1.00 96.50 ? 33 VAL A CG2 1 Q76EI6 UNP 33 V +ATOM 260 N N . SER A 1 34 ? 20.999 -4.026 4.898 1.00 94.50 ? 34 SER A N 1 Q76EI6 UNP 34 S +ATOM 261 C CA . SER A 1 34 ? 22.344 -4.061 4.309 1.00 94.50 ? 34 SER A CA 1 Q76EI6 UNP 34 S +ATOM 262 C C . SER A 1 34 ? 22.551 -2.931 3.296 1.00 94.50 ? 34 SER A C 1 Q76EI6 UNP 34 S +ATOM 263 C CB . SER A 1 34 ? 22.580 -5.421 3.644 1.00 94.50 ? 34 SER A CB 1 Q76EI6 UNP 34 S +ATOM 264 O O . SER A 1 34 ? 23.616 -2.317 3.263 1.00 94.50 ? 34 SER A O 1 Q76EI6 UNP 34 S +ATOM 265 O OG . SER A 1 34 ? 23.847 -5.467 3.013 1.00 94.50 ? 34 SER A OG 1 Q76EI6 UNP 34 S +ATOM 266 N N . ARG A 1 35 ? 21.525 -2.609 2.498 1.00 92.38 ? 35 ARG A N 1 Q76EI6 UNP 35 R +ATOM 267 C CA . ARG A 1 35 ? 21.604 -1.557 1.482 1.00 92.38 ? 35 ARG A CA 1 Q76EI6 UNP 35 R +ATOM 268 C C . ARG A 1 35 ? 21.604 -0.141 2.060 1.00 92.38 ? 35 ARG A C 1 Q76EI6 UNP 35 R +ATOM 269 C CB . ARG A 1 35 ? 20.466 -1.755 0.468 1.00 92.38 ? 35 ARG A CB 1 Q76EI6 UNP 35 R +ATOM 270 O O . ARG A 1 35 ? 22.297 0.712 1.506 1.00 92.38 ? 35 ARG A O 1 Q76EI6 UNP 35 R +ATOM 271 C CG . ARG A 1 35 ? 20.466 -0.728 -0.671 1.00 92.38 ? 35 ARG A CG 1 Q76EI6 UNP 35 R +ATOM 272 C CD . ARG A 1 35 ? 21.790 -0.717 -1.445 1.00 92.38 ? 35 ARG A CD 1 Q76EI6 UNP 35 R +ATOM 273 N NE . ARG A 1 35 ? 21.839 0.384 -2.418 1.00 92.38 ? 35 ARG A NE 1 Q76EI6 UNP 35 R +ATOM 274 N NH1 . ARG A 1 35 ? 22.912 1.927 -1.069 1.00 92.38 ? 35 ARG A NH1 1 Q76EI6 UNP 35 R +ATOM 275 N NH2 . ARG A 1 35 ? 22.676 2.329 -3.241 1.00 92.38 ? 35 ARG A NH2 1 Q76EI6 UNP 35 R +ATOM 276 C CZ . ARG A 1 35 ? 22.472 1.530 -2.232 1.00 92.38 ? 35 ARG A CZ 1 Q76EI6 UNP 35 R +ATOM 277 N N . VAL A 1 36 ? 20.832 0.114 3.114 1.00 94.88 ? 36 VAL A N 1 Q76EI6 UNP 36 V +ATOM 278 C CA . VAL A 1 36 ? 20.741 1.423 3.783 1.00 94.88 ? 36 VAL A CA 1 Q76EI6 UNP 36 V +ATOM 279 C C . VAL A 1 36 ? 21.992 1.710 4.619 1.00 94.88 ? 36 VAL A C 1 Q76EI6 UNP 36 V +ATOM 280 C CB . VAL A 1 36 ? 19.434 1.532 4.598 1.00 94.88 ? 36 VAL A CB 1 Q76EI6 UNP 36 V +ATOM 281 O O . VAL A 1 36 ? 22.375 2.866 4.741 1.00 94.88 ? 36 VAL A O 1 Q76EI6 UNP 36 V +ATOM 282 C CG1 . VAL A 1 36 ? 19.370 2.790 5.473 1.00 94.88 ? 36 VAL A CG1 1 Q76EI6 UNP 36 V +ATOM 283 C CG2 . VAL A 1 36 ? 18.227 1.598 3.647 1.00 94.88 ? 36 VAL A CG2 1 Q76EI6 UNP 36 V +ATOM 284 N N . ARG A 1 37 ? 22.690 0.676 5.110 1.00 95.19 ? 37 ARG A N 1 Q76EI6 UNP 37 R +ATOM 285 C CA . ARG A 1 37 ? 23.986 0.817 5.804 1.00 95.19 ? 37 ARG A CA 1 Q76EI6 UNP 37 R +ATOM 286 C C . ARG A 1 37 ? 25.159 1.197 4.890 1.00 95.19 ? 37 ARG A C 1 Q76EI6 UNP 37 R +ATOM 287 C CB . ARG A 1 37 ? 24.306 -0.480 6.561 1.00 95.19 ? 37 ARG A CB 1 Q76EI6 UNP 37 R +ATOM 288 O O . ARG A 1 37 ? 26.206 1.588 5.390 1.00 95.19 ? 37 ARG A O 1 Q76EI6 UNP 37 R +ATOM 289 C CG . ARG A 1 37 ? 23.434 -0.655 7.812 1.00 95.19 ? 37 ARG A CG 1 Q76EI6 UNP 37 R +ATOM 290 C CD . ARG A 1 37 ? 23.753 -1.997 8.477 1.00 95.19 ? 37 ARG A CD 1 Q76EI6 UNP 37 R +ATOM 291 N NE . ARG A 1 37 ? 22.907 -2.233 9.662 1.00 95.19 ? 37 ARG A NE 1 Q76EI6 UNP 37 R +ATOM 292 N NH1 . ARG A 1 37 ? 23.368 -4.467 9.923 1.00 95.19 ? 37 ARG A NH1 1 Q76EI6 UNP 37 R +ATOM 293 N NH2 . ARG A 1 37 ? 21.936 -3.469 11.311 1.00 95.19 ? 37 ARG A NH2 1 Q76EI6 UNP 37 R +ATOM 294 C CZ . ARG A 1 37 ? 22.740 -3.384 10.290 1.00 95.19 ? 37 ARG A CZ 1 Q76EI6 UNP 37 R +ATOM 295 N N . GLN A 1 38 ? 25.018 1.068 3.570 1.00 93.56 ? 38 GLN A N 1 Q76EI6 UNP 38 Q +ATOM 296 C CA . GLN A 1 38 ? 26.052 1.518 2.631 1.00 93.56 ? 38 GLN A CA 1 Q76EI6 UNP 38 Q +ATOM 297 C C . GLN A 1 38 ? 26.104 3.052 2.578 1.00 93.56 ? 38 GLN A C 1 Q76EI6 UNP 38 Q +ATOM 298 C CB . GLN A 1 38 ? 25.788 0.967 1.226 1.00 93.56 ? 38 GLN A CB 1 Q76EI6 UNP 38 Q +ATOM 299 O O . GLN A 1 38 ? 25.054 3.680 2.723 1.00 93.56 ? 38 GLN A O 1 Q76EI6 UNP 38 Q +ATOM 300 C CG . GLN A 1 38 ? 25.959 -0.554 1.169 1.00 93.56 ? 38 GLN A CG 1 Q76EI6 UNP 38 Q +ATOM 301 C CD . GLN A 1 38 ? 25.536 -1.161 -0.163 1.00 93.56 ? 38 GLN A CD 1 Q76EI6 UNP 38 Q +ATOM 302 N NE2 . GLN A 1 38 ? 25.488 -2.470 -0.242 1.00 93.56 ? 38 GLN A NE2 1 Q76EI6 UNP 38 Q +ATOM 303 O OE1 . GLN A 1 38 ? 25.203 -0.503 -1.140 1.00 93.56 ? 38 GLN A OE1 1 Q76EI6 UNP 38 Q +ATOM 304 N N . PRO A 1 39 ? 27.265 3.667 2.283 1.00 92.62 ? 39 PRO A N 1 Q76EI6 UNP 39 P +ATOM 305 C CA . PRO A 1 39 ? 27.364 5.115 2.138 1.00 92.62 ? 39 PRO A CA 1 Q76EI6 UNP 39 P +ATOM 306 C C . PRO A 1 39 ? 26.345 5.672 1.136 1.00 92.62 ? 39 PRO A C 1 Q76EI6 UNP 39 P +ATOM 307 C CB . PRO A 1 39 ? 28.807 5.397 1.705 1.00 92.62 ? 39 PRO A CB 1 Q76EI6 UNP 39 P +ATOM 308 O O . PRO A 1 39 ? 26.145 5.117 0.052 1.00 92.62 ? 39 PRO A O 1 Q76EI6 UNP 39 P +ATOM 309 C CG . PRO A 1 39 ? 29.579 4.201 2.261 1.00 92.62 ? 39 PRO A CG 1 Q76EI6 UNP 39 P +ATOM 310 C CD . PRO A 1 39 ? 28.579 3.054 2.132 1.00 92.62 ? 39 PRO A CD 1 Q76EI6 UNP 39 P +ATOM 311 N N . GLN A 1 40 ? 25.705 6.783 1.510 1.00 88.81 ? 40 GLN A N 1 Q76EI6 UNP 40 Q +ATOM 312 C CA . GLN A 1 40 ? 24.761 7.536 0.674 1.00 88.81 ? 40 GLN A CA 1 Q76EI6 UNP 40 Q +ATOM 313 C C . GLN A 1 40 ? 23.653 6.667 0.030 1.00 88.81 ? 40 GLN A C 1 Q76EI6 UNP 40 Q +ATOM 314 C CB . GLN A 1 40 ? 25.540 8.352 -0.368 1.00 88.81 ? 40 GLN A CB 1 Q76EI6 UNP 40 Q +ATOM 315 O O . GLN A 1 40 ? 23.535 6.595 -1.204 1.00 88.81 ? 40 GLN A O 1 Q76EI6 UNP 40 Q +ATOM 316 C CG . GLN A 1 40 ? 26.534 9.351 0.245 1.00 88.81 ? 40 GLN A CG 1 Q76EI6 UNP 40 Q +ATOM 317 C CD . GLN A 1 40 ? 27.223 10.180 -0.835 1.00 88.81 ? 40 GLN A CD 1 Q76EI6 UNP 40 Q +ATOM 318 N NE2 . GLN A 1 40 ? 27.695 11.363 -0.515 1.00 88.81 ? 40 GLN A NE2 1 Q76EI6 UNP 40 Q +ATOM 319 O OE1 . GLN A 1 40 ? 27.324 9.789 -1.986 1.00 88.81 ? 40 GLN A OE1 1 Q76EI6 UNP 40 Q +ATOM 320 N N . PRO A 1 41 ? 22.803 5.994 0.829 1.00 93.69 ? 41 PRO A N 1 Q76EI6 UNP 41 P +ATOM 321 C CA . PRO A 1 41 ? 21.706 5.212 0.278 1.00 93.69 ? 41 PRO A CA 1 Q76EI6 UNP 41 P +ATOM 322 C C . PRO A 1 41 ? 20.701 6.124 -0.439 1.00 93.69 ? 41 PRO A C 1 Q76EI6 UNP 41 P +ATOM 323 C CB . PRO A 1 41 ? 21.098 4.477 1.472 1.00 93.69 ? 41 PRO A CB 1 Q76EI6 UNP 41 P +ATOM 324 O O . PRO A 1 41 ? 20.323 7.181 0.058 1.00 93.69 ? 41 PRO A O 1 Q76EI6 UNP 41 P +ATOM 325 C CG . PRO A 1 41 ? 21.341 5.443 2.630 1.00 93.69 ? 41 PRO A CG 1 Q76EI6 UNP 41 P +ATOM 326 C CD . PRO A 1 41 ? 22.700 6.054 2.286 1.00 93.69 ? 41 PRO A CD 1 Q76EI6 UNP 41 P +ATOM 327 N N . ALA A 1 42 ? 20.245 5.720 -1.629 1.00 93.56 ? 42 ALA A N 1 Q76EI6 UNP 42 A +ATOM 328 C CA . ALA A 1 42 ? 19.182 6.463 -2.311 1.00 93.56 ? 42 ALA A CA 1 Q76EI6 UNP 42 A +ATOM 329 C C . ALA A 1 42 ? 17.882 6.457 -1.471 1.00 93.56 ? 42 ALA A C 1 Q76EI6 UNP 42 A +ATOM 330 C CB . ALA A 1 42 ? 18.952 5.892 -3.716 1.00 93.56 ? 42 ALA A CB 1 Q76EI6 UNP 42 A +ATOM 331 O O . ALA A 1 42 ? 17.592 5.414 -0.875 1.00 93.56 ? 42 ALA A O 1 Q76EI6 UNP 42 A +ATOM 332 N N . PRO A 1 43 ? 17.082 7.544 -1.482 1.00 96.38 ? 43 PRO A N 1 Q76EI6 UNP 43 P +ATOM 333 C CA . PRO A 1 43 ? 15.837 7.661 -0.710 1.00 96.38 ? 43 PRO A CA 1 Q76EI6 UNP 43 P +ATOM 334 C C . PRO A 1 43 ? 14.895 6.466 -0.872 1.00 96.38 ? 43 PRO A C 1 Q76EI6 UNP 43 P +ATOM 335 C CB . PRO A 1 43 ? 15.153 8.917 -1.246 1.00 96.38 ? 43 PRO A CB 1 Q76EI6 UNP 43 P +ATOM 336 O O . PRO A 1 43 ? 14.367 5.946 0.106 1.00 96.38 ? 43 PRO A O 1 Q76EI6 UNP 43 P +ATOM 337 C CG . PRO A 1 43 ? 16.300 9.789 -1.726 1.00 96.38 ? 43 PRO A CG 1 Q76EI6 UNP 43 P +ATOM 338 C CD . PRO A 1 43 ? 17.333 8.781 -2.214 1.00 96.38 ? 43 PRO A CD 1 Q76EI6 UNP 43 P +ATOM 339 N N . VAL A 1 44 ? 14.770 5.949 -2.098 1.00 95.50 ? 44 VAL A N 1 Q76EI6 UNP 44 V +ATOM 340 C CA . VAL A 1 44 ? 13.940 4.775 -2.398 1.00 95.50 ? 44 VAL A CA 1 Q76EI6 UNP 44 V +ATOM 341 C C . VAL A 1 44 ? 14.315 3.530 -1.583 1.00 95.50 ? 44 VAL A C 1 Q76EI6 UNP 44 V +ATOM 342 C CB . VAL A 1 44 ? 13.965 4.487 -3.909 1.00 95.50 ? 44 VAL A CB 1 Q76EI6 UNP 44 V +ATOM 343 O O . VAL A 1 44 ? 13.441 2.732 -1.273 1.00 95.50 ? 44 VAL A O 1 Q76EI6 UNP 44 V +ATOM 344 C CG1 . VAL A 1 44 ? 15.320 3.962 -4.412 1.00 95.50 ? 44 VAL A CG1 1 Q76EI6 UNP 44 V +ATOM 345 C CG2 . VAL A 1 44 ? 12.861 3.507 -4.311 1.00 95.50 ? 44 VAL A CG2 1 Q76EI6 UNP 44 V +ATOM 346 N N . HIS A 1 45 ? 15.583 3.343 -1.195 1.00 95.38 ? 45 HIS A N 1 Q76EI6 UNP 45 H +ATOM 347 C CA . HIS A 1 45 ? 15.968 2.208 -0.346 1.00 95.38 ? 45 HIS A CA 1 Q76EI6 UNP 45 H +ATOM 348 C C . HIS A 1 45 ? 15.462 2.365 1.090 1.00 95.38 ? 45 HIS A C 1 Q76EI6 UNP 45 H +ATOM 349 C CB . HIS A 1 45 ? 17.488 2.023 -0.318 1.00 95.38 ? 45 HIS A CB 1 Q76EI6 UNP 45 H +ATOM 350 O O . HIS A 1 45 ? 15.148 1.366 1.727 1.00 95.38 ? 45 HIS A O 1 Q76EI6 UNP 45 H +ATOM 351 C CG . HIS A 1 45 ? 18.127 1.841 -1.666 1.00 95.38 ? 45 HIS A CG 1 Q76EI6 UNP 45 H +ATOM 352 C CD2 . HIS A 1 45 ? 17.953 0.812 -2.551 1.00 95.38 ? 45 HIS A CD2 1 Q76EI6 UNP 45 H +ATOM 353 N ND1 . HIS A 1 45 ? 19.023 2.712 -2.221 1.00 95.38 ? 45 HIS A ND1 1 Q76EI6 UNP 45 H +ATOM 354 C CE1 . HIS A 1 45 ? 19.380 2.231 -3.421 1.00 95.38 ? 45 HIS A CE1 1 Q76EI6 UNP 45 H +ATOM 355 N NE2 . HIS A 1 45 ? 18.783 1.053 -3.659 1.00 95.38 ? 45 HIS A NE2 1 Q76EI6 UNP 45 H +ATOM 356 N N . ILE A 1 46 ? 15.375 3.601 1.586 1.00 97.62 ? 46 ILE A N 1 Q76EI6 UNP 46 I +ATOM 357 C CA . ILE A 1 46 ? 14.822 3.905 2.910 1.00 97.62 ? 46 ILE A CA 1 Q76EI6 UNP 46 I +ATOM 358 C C . ILE A 1 46 ? 13.309 3.694 2.892 1.00 97.62 ? 46 ILE A C 1 Q76EI6 UNP 46 I +ATOM 359 C CB . ILE A 1 46 ? 15.205 5.339 3.336 1.00 97.62 ? 46 ILE A CB 1 Q76EI6 UNP 46 I +ATOM 360 O O . ILE A 1 46 ? 12.772 3.091 3.815 1.00 97.62 ? 46 ILE A O 1 Q76EI6 UNP 46 I +ATOM 361 C CG1 . ILE A 1 46 ? 16.739 5.420 3.499 1.00 97.62 ? 46 ILE A CG1 1 Q76EI6 UNP 46 I +ATOM 362 C CG2 . ILE A 1 46 ? 14.493 5.742 4.641 1.00 97.62 ? 46 ILE A CG2 1 Q76EI6 UNP 46 I +ATOM 363 C CD1 . ILE A 1 46 ? 17.271 6.845 3.609 1.00 97.62 ? 46 ILE A CD1 1 Q76EI6 UNP 46 I +ATOM 364 N N . LEU A 1 47 ? 12.633 4.115 1.821 1.00 97.94 ? 47 LEU A N 1 Q76EI6 UNP 47 L +ATOM 365 C CA . LEU A 1 47 ? 11.201 3.872 1.648 1.00 97.94 ? 47 LEU A CA 1 Q76EI6 UNP 47 L +ATOM 366 C C . LEU A 1 47 ? 10.878 2.380 1.531 1.00 97.94 ? 47 LEU A C 1 Q76EI6 UNP 47 L +ATOM 367 C CB . LEU A 1 47 ? 10.693 4.629 0.417 1.00 97.94 ? 47 LEU A CB 1 Q76EI6 UNP 47 L +ATOM 368 O O . LEU A 1 47 ? 9.968 1.908 2.196 1.00 97.94 ? 47 LEU A O 1 Q76EI6 UNP 47 L +ATOM 369 C CG . LEU A 1 47 ? 10.735 6.157 0.561 1.00 97.94 ? 47 LEU A CG 1 Q76EI6 UNP 47 L +ATOM 370 C CD1 . LEU A 1 47 ? 10.319 6.780 -0.766 1.00 97.94 ? 47 LEU A CD1 1 Q76EI6 UNP 47 L +ATOM 371 C CD2 . LEU A 1 47 ? 9.773 6.640 1.643 1.00 97.94 ? 47 LEU A CD2 1 Q76EI6 UNP 47 L +ATOM 372 N N . LEU A 1 48 ? 11.658 1.619 0.757 1.00 96.81 ? 48 LEU A N 1 Q76EI6 UNP 48 L +ATOM 373 C CA . LEU A 1 48 ? 11.499 0.163 0.653 1.00 96.81 ? 48 LEU A CA 1 Q76EI6 UNP 48 L +ATOM 374 C C . LEU A 1 48 ? 11.739 -0.548 1.993 1.00 96.81 ? 48 LEU A C 1 Q76EI6 UNP 48 L +ATOM 375 C CB . LEU A 1 48 ? 12.470 -0.376 -0.409 1.00 96.81 ? 48 LEU A CB 1 Q76EI6 UNP 48 L +ATOM 376 O O . LEU A 1 48 ? 11.025 -1.492 2.320 1.00 96.81 ? 48 LEU A O 1 Q76EI6 UNP 48 L +ATOM 377 C CG . LEU A 1 48 ? 12.049 -0.076 -1.858 1.00 96.81 ? 48 LEU A CG 1 Q76EI6 UNP 48 L +ATOM 378 C CD1 . LEU A 1 48 ? 13.228 -0.302 -2.813 1.00 96.81 ? 48 LEU A CD1 1 Q76EI6 UNP 48 L +ATOM 379 C CD2 . LEU A 1 48 ? 10.917 -0.993 -2.319 1.00 96.81 ? 48 LEU A CD2 1 Q76EI6 UNP 48 L +ATOM 380 N N . LEU A 1 49 ? 12.716 -0.081 2.781 1.00 96.94 ? 49 LEU A N 1 Q76EI6 UNP 49 L +ATOM 381 C CA . LEU A 1 49 ? 12.934 -0.577 4.138 1.00 96.94 ? 49 LEU A CA 1 Q76EI6 UNP 49 L +ATOM 382 C C . LEU A 1 49 ? 11.716 -0.300 5.028 1.00 96.94 ? 49 LEU A C 1 Q76EI6 UNP 49 L +ATOM 383 C CB . LEU A 1 49 ? 14.211 0.057 4.721 1.00 96.94 ? 49 LEU A CB 1 Q76EI6 UNP 49 L +ATOM 384 O O . LEU A 1 49 ? 11.254 -1.205 5.710 1.00 96.94 ? 49 LEU A O 1 Q76EI6 UNP 49 L +ATOM 385 C CG . LEU A 1 49 ? 14.506 -0.345 6.178 1.00 96.94 ? 49 LEU A CG 1 Q76EI6 UNP 49 L +ATOM 386 C CD1 . LEU A 1 49 ? 14.708 -1.850 6.332 1.00 96.94 ? 49 LEU A CD1 1 Q76EI6 UNP 49 L +ATOM 387 C CD2 . LEU A 1 49 ? 15.782 0.351 6.651 1.00 96.94 ? 49 LEU A CD2 1 Q76EI6 UNP 49 L +ATOM 388 N N . ASN A 1 50 ? 11.186 0.924 5.006 1.00 98.38 ? 50 ASN A N 1 Q76EI6 UNP 50 N +ATOM 389 C CA . ASN A 1 50 ? 10.009 1.285 5.797 1.00 98.38 ? 50 ASN A CA 1 Q76EI6 UNP 50 N +ATOM 390 C C . ASN A 1 50 ? 8.750 0.535 5.351 1.00 98.38 ? 50 ASN A C 1 Q76EI6 UNP 50 N +ATOM 391 C CB . ASN A 1 50 ? 9.803 2.804 5.766 1.00 98.38 ? 50 ASN A CB 1 Q76EI6 UNP 50 N +ATOM 392 O O . ASN A 1 50 ? 7.961 0.154 6.206 1.00 98.38 ? 50 ASN A O 1 Q76EI6 UNP 50 N +ATOM 393 C CG . ASN A 1 50 ? 10.693 3.495 6.773 1.00 98.38 ? 50 ASN A CG 1 Q76EI6 UNP 50 N +ATOM 394 N ND2 . ASN A 1 50 ? 11.882 3.896 6.398 1.00 98.38 ? 50 ASN A ND2 1 Q76EI6 UNP 50 N +ATOM 395 O OD1 . ASN A 1 50 ? 10.337 3.667 7.922 1.00 98.38 ? 50 ASN A OD1 1 Q76EI6 UNP 50 N +ATOM 396 N N . LEU A 1 51 ? 8.596 0.263 4.052 1.00 97.88 ? 51 LEU A N 1 Q76EI6 UNP 51 L +ATOM 397 C CA . LEU A 1 51 ? 7.496 -0.550 3.525 1.00 97.88 ? 51 LEU A CA 1 Q76EI6 UNP 51 L +ATOM 398 C C . LEU A 1 51 ? 7.582 -1.975 4.071 1.00 97.88 ? 51 LEU A C 1 Q76EI6 UNP 51 L +ATOM 399 C CB . LEU A 1 51 ? 7.533 -0.473 1.990 1.00 97.88 ? 51 LEU A CB 1 Q76EI6 UNP 51 L +ATOM 400 O O . LEU A 1 51 ? 6.627 -2.474 4.648 1.00 97.88 ? 51 LEU A O 1 Q76EI6 UNP 51 L +ATOM 401 C CG . LEU A 1 51 ? 6.443 -1.288 1.272 1.00 97.88 ? 51 LEU A CG 1 Q76EI6 UNP 51 L +ATOM 402 C CD1 . LEU A 1 51 ? 5.031 -0.869 1.679 1.00 97.88 ? 51 LEU A CD1 1 Q76EI6 UNP 51 L +ATOM 403 C CD2 . LEU A 1 51 ? 6.586 -1.035 -0.232 1.00 97.88 ? 51 LEU A CD2 1 Q76EI6 UNP 51 L +ATOM 404 N N . THR A 1 52 ? 8.787 -2.554 4.050 1.00 97.38 ? 52 THR A N 1 Q76EI6 UNP 52 T +ATOM 405 C CA . THR A 1 52 ? 9.040 -3.861 4.672 1.00 97.38 ? 52 THR A CA 1 Q76EI6 UNP 52 T +ATOM 406 C C . THR A 1 52 ? 8.739 -3.850 6.179 1.00 97.38 ? 52 THR A C 1 Q76EI6 UNP 52 T +ATOM 407 C CB . THR A 1 52 ? 10.502 -4.287 4.469 1.00 97.38 ? 52 THR A CB 1 Q76EI6 UNP 52 T +ATOM 408 O O . THR A 1 52 ? 8.243 -4.834 6.715 1.00 97.38 ? 52 THR A O 1 Q76EI6 UNP 52 T +ATOM 409 C CG2 . THR A 1 52 ? 10.752 -5.717 4.927 1.00 97.38 ? 52 THR A CG2 1 Q76EI6 UNP 52 T +ATOM 410 O OG1 . THR A 1 52 ? 10.911 -4.225 3.117 1.00 97.38 ? 52 THR A OG1 1 Q76EI6 UNP 52 T +ATOM 411 N N . LEU A 1 53 ? 9.039 -2.758 6.893 1.00 98.31 ? 53 LEU A N 1 Q76EI6 UNP 53 L +ATOM 412 C CA . LEU A 1 53 ? 8.722 -2.634 8.323 1.00 98.31 ? 53 LEU A CA 1 Q76EI6 UNP 53 L +ATOM 413 C C . LEU A 1 53 ? 7.210 -2.534 8.577 1.00 98.31 ? 53 LEU A C 1 Q76EI6 UNP 53 L +ATOM 414 C CB . LEU A 1 53 ? 9.451 -1.424 8.935 1.00 98.31 ? 53 LEU A CB 1 Q76EI6 UNP 53 L +ATOM 415 O O . LEU A 1 53 ? 6.730 -3.131 9.538 1.00 98.31 ? 53 LEU A O 1 Q76EI6 UNP 53 L +ATOM 416 C CG . LEU A 1 53 ? 10.978 -1.567 9.054 1.00 98.31 ? 53 LEU A CG 1 Q76EI6 UNP 53 L +ATOM 417 C CD1 . LEU A 1 53 ? 11.587 -0.236 9.504 1.00 98.31 ? 53 LEU A CD1 1 Q76EI6 UNP 53 L +ATOM 418 C CD2 . LEU A 1 53 ? 11.389 -2.642 10.062 1.00 98.31 ? 53 LEU A CD2 1 Q76EI6 UNP 53 L +ATOM 419 N N . ALA A 1 54 ? 6.469 -1.822 7.726 1.00 98.38 ? 54 ALA A N 1 Q76EI6 UNP 54 A +ATOM 420 C CA . ALA A 1 54 ? 5.010 -1.763 7.792 1.00 98.38 ? 54 ALA A CA 1 Q76EI6 UNP 54 A +ATOM 421 C C . ALA A 1 54 ? 4.385 -3.146 7.534 1.00 98.38 ? 54 ALA A C 1 Q76EI6 UNP 54 A +ATOM 422 C CB . ALA A 1 54 ? 4.510 -0.701 6.803 1.00 98.38 ? 54 ALA A CB 1 Q76EI6 UNP 54 A +ATOM 423 O O . ALA A 1 54 ? 3.546 -3.591 8.315 1.00 98.38 ? 54 ALA A O 1 Q76EI6 UNP 54 A +ATOM 424 N N . ASP A 1 55 ? 4.858 -3.878 6.523 1.00 97.88 ? 55 ASP A N 1 Q76EI6 UNP 55 D +ATOM 425 C CA . ASP A 1 55 ? 4.406 -5.248 6.253 1.00 97.88 ? 55 ASP A CA 1 Q76EI6 UNP 55 D +ATOM 426 C C . ASP A 1 55 ? 4.728 -6.206 7.398 1.00 97.88 ? 55 ASP A C 1 Q76EI6 UNP 55 D +ATOM 427 C CB . ASP A 1 55 ? 5.074 -5.788 4.989 1.00 97.88 ? 55 ASP A CB 1 Q76EI6 UNP 55 D +ATOM 428 O O . ASP A 1 55 ? 3.898 -7.032 7.770 1.00 97.88 ? 55 ASP A O 1 Q76EI6 UNP 55 D +ATOM 429 C CG . ASP A 1 55 ? 4.510 -5.201 3.703 1.00 97.88 ? 55 ASP A CG 1 Q76EI6 UNP 55 D +ATOM 430 O OD1 . ASP A 1 55 ? 3.292 -4.899 3.671 1.00 97.88 ? 55 ASP A OD1 1 Q76EI6 UNP 55 D +ATOM 431 O OD2 . ASP A 1 55 ? 5.301 -5.178 2.743 1.00 97.88 ? 55 ASP A OD2 1 Q76EI6 UNP 55 D +ATOM 432 N N . LEU A 1 56 ? 5.918 -6.103 7.996 1.00 98.19 ? 56 LEU A N 1 Q76EI6 UNP 56 L +ATOM 433 C CA . LEU A 1 56 ? 6.279 -6.922 9.153 1.00 98.19 ? 56 LEU A CA 1 Q76EI6 UNP 56 L +ATOM 434 C C . LEU A 1 56 ? 5.409 -6.613 10.371 1.00 98.19 ? 56 LEU A C 1 Q76EI6 UNP 56 L +ATOM 435 C CB . LEU A 1 56 ? 7.764 -6.741 9.492 1.00 98.19 ? 56 LEU A CB 1 Q76EI6 UNP 56 L +ATOM 436 O O . LEU A 1 56 ? 5.076 -7.539 11.106 1.00 98.19 ? 56 LEU A O 1 Q76EI6 UNP 56 L +ATOM 437 C CG . LEU A 1 56 ? 8.711 -7.462 8.521 1.00 98.19 ? 56 LEU A CG 1 Q76EI6 UNP 56 L +ATOM 438 C CD1 . LEU A 1 56 ? 10.147 -7.044 8.830 1.00 98.19 ? 56 LEU A CD1 1 Q76EI6 UNP 56 L +ATOM 439 C CD2 . LEU A 1 56 ? 8.636 -8.988 8.633 1.00 98.19 ? 56 LEU A CD2 1 Q76EI6 UNP 56 L +ATOM 440 N N . LEU A 1 57 ? 5.010 -5.355 10.580 1.00 98.38 ? 57 LEU A N 1 Q76EI6 UNP 57 L +ATOM 441 C CA . LEU A 1 57 ? 4.055 -5.004 11.629 1.00 98.38 ? 57 LEU A CA 1 Q76EI6 UNP 57 L +ATOM 442 C C . LEU A 1 57 ? 2.676 -5.620 11.353 1.00 98.38 ? 57 LEU A C 1 Q76EI6 UNP 57 L +ATOM 443 C CB . LEU A 1 57 ? 3.994 -3.476 11.780 1.00 98.38 ? 57 LEU A CB 1 Q76EI6 UNP 57 L +ATOM 444 O O . LEU A 1 57 ? 2.091 -6.221 12.253 1.00 98.38 ? 57 LEU A O 1 Q76EI6 UNP 57 L +ATOM 445 C CG . LEU A 1 57 ? 2.981 -3.004 12.841 1.00 98.38 ? 57 LEU A CG 1 Q76EI6 UNP 57 L +ATOM 446 C CD1 . LEU A 1 57 ? 3.280 -3.556 14.236 1.00 98.38 ? 57 LEU A CD1 1 Q76EI6 UNP 57 L +ATOM 447 C CD2 . LEU A 1 57 ? 3.009 -1.483 12.936 1.00 98.38 ? 57 LEU A CD2 1 Q76EI6 UNP 57 L +ATOM 448 N N . LEU A 1 58 ? 2.185 -5.550 10.112 1.00 98.38 ? 58 LEU A N 1 Q76EI6 UNP 58 L +ATOM 449 C CA . LEU A 1 58 ? 0.945 -6.220 9.708 1.00 98.38 ? 58 LEU A CA 1 Q76EI6 UNP 58 L +ATOM 450 C C . LEU A 1 58 ? 1.028 -7.731 9.959 1.00 98.38 ? 58 LEU A C 1 Q76EI6 UNP 58 L +ATOM 451 C CB . LEU A 1 58 ? 0.650 -5.881 8.235 1.00 98.38 ? 58 LEU A CB 1 Q76EI6 UNP 58 L +ATOM 452 O O . LEU A 1 58 ? 0.143 -8.302 10.592 1.00 98.38 ? 58 LEU A O 1 Q76EI6 UNP 58 L +ATOM 453 C CG . LEU A 1 58 ? -0.693 -6.435 7.714 1.00 98.38 ? 58 LEU A CG 1 Q76EI6 UNP 58 L +ATOM 454 C CD1 . LEU A 1 58 ? -1.217 -5.535 6.596 1.00 98.38 ? 58 LEU A CD1 1 Q76EI6 UNP 58 L +ATOM 455 C CD2 . LEU A 1 58 ? -0.583 -7.854 7.138 1.00 98.38 ? 58 LEU A CD2 1 Q76EI6 UNP 58 L +ATOM 456 N N . LEU A 1 59 ? 2.109 -8.371 9.511 1.00 98.38 ? 59 LEU A N 1 Q76EI6 UNP 59 L +ATOM 457 C CA . LEU A 1 59 ? 2.339 -9.810 9.654 1.00 98.38 ? 59 LEU A CA 1 Q76EI6 UNP 59 L +ATOM 458 C C . LEU A 1 59 ? 2.518 -10.233 11.115 1.00 98.38 ? 59 LEU A C 1 Q76EI6 UNP 59 L +ATOM 459 C CB . LEU A 1 59 ? 3.572 -10.205 8.826 1.00 98.38 ? 59 LEU A CB 1 Q76EI6 UNP 59 L +ATOM 460 O O . LEU A 1 59 ? 2.090 -11.323 11.474 1.00 98.38 ? 59 LEU A O 1 Q76EI6 UNP 59 L +ATOM 461 C CG . LEU A 1 59 ? 3.349 -10.140 7.303 1.00 98.38 ? 59 LEU A CG 1 Q76EI6 UNP 59 L +ATOM 462 C CD1 . LEU A 1 59 ? 4.705 -10.166 6.604 1.00 98.38 ? 59 LEU A CD1 1 Q76EI6 UNP 59 L +ATOM 463 C CD2 . LEU A 1 59 ? 2.530 -11.331 6.801 1.00 98.38 ? 59 LEU A CD2 1 Q76EI6 UNP 59 L +ATOM 464 N N . LEU A 1 60 ? 3.101 -9.385 11.965 1.00 98.00 ? 60 LEU A N 1 Q76EI6 UNP 60 L +ATOM 465 C CA . LEU A 1 60 ? 3.203 -9.616 13.409 1.00 98.00 ? 60 LEU A CA 1 Q76EI6 UNP 60 L +ATOM 466 C C . LEU A 1 60 ? 1.827 -9.601 14.089 1.00 98.00 ? 60 LEU A C 1 Q76EI6 UNP 60 L +ATOM 467 C CB . LEU A 1 60 ? 4.129 -8.541 14.010 1.00 98.00 ? 60 LEU A CB 1 Q76EI6 UNP 60 L +ATOM 468 O O . LEU A 1 60 ? 1.614 -10.322 15.061 1.00 98.00 ? 60 LEU A O 1 Q76EI6 UNP 60 L +ATOM 469 C CG . LEU A 1 60 ? 4.330 -8.637 15.533 1.00 98.00 ? 60 LEU A CG 1 Q76EI6 UNP 60 L +ATOM 470 C CD1 . LEU A 1 60 ? 5.051 -9.926 15.932 1.00 98.00 ? 60 LEU A CD1 1 Q76EI6 UNP 60 L +ATOM 471 C CD2 . LEU A 1 60 ? 5.162 -7.448 16.015 1.00 98.00 ? 60 LEU A CD2 1 Q76EI6 UNP 60 L +ATOM 472 N N . LEU A 1 61 ? 0.895 -8.793 13.579 1.00 98.12 ? 61 LEU A N 1 Q76EI6 UNP 61 L +ATOM 473 C CA . LEU A 1 61 ? -0.465 -8.665 14.109 1.00 98.12 ? 61 LEU A CA 1 Q76EI6 UNP 61 L +ATOM 474 C C . LEU A 1 61 ? -1.455 -9.662 13.484 1.00 98.12 ? 61 LEU A C 1 Q76EI6 UNP 61 L +ATOM 475 C CB . LEU A 1 61 ? -0.919 -7.208 13.938 1.00 98.12 ? 61 LEU A CB 1 Q76EI6 UNP 61 L +ATOM 476 O O . LEU A 1 61 ? -2.517 -9.927 14.047 1.00 98.12 ? 61 LEU A O 1 Q76EI6 UNP 61 L +ATOM 477 C CG . LEU A 1 61 ? -0.079 -6.215 14.764 1.00 98.12 ? 61 LEU A CG 1 Q76EI6 UNP 61 L +ATOM 478 C CD1 . LEU A 1 61 ? -0.497 -4.794 14.419 1.00 98.12 ? 61 LEU A CD1 1 Q76EI6 UNP 61 L +ATOM 479 C CD2 . LEU A 1 61 ? -0.239 -6.418 16.273 1.00 98.12 ? 61 LEU A CD2 1 Q76EI6 UNP 61 L +ATOM 480 N N . LEU A 1 62 ? -1.100 -10.259 12.347 1.00 97.44 ? 62 LEU A N 1 Q76EI6 UNP 62 L +ATOM 481 C CA . LEU A 1 62 ? -1.923 -11.226 11.625 1.00 97.44 ? 62 LEU A CA 1 Q76EI6 UNP 62 L +ATOM 482 C C . LEU A 1 62 ? -2.272 -12.495 12.438 1.00 97.44 ? 62 LEU A C 1 Q76EI6 UNP 62 L +ATOM 483 C CB . LEU A 1 62 ? -1.223 -11.540 10.290 1.00 97.44 ? 62 LEU A CB 1 Q76EI6 UNP 62 L +ATOM 484 O O . LEU A 1 62 ? -3.416 -12.937 12.343 1.00 97.44 ? 62 LEU A O 1 Q76EI6 UNP 62 L +ATOM 485 C CG . LEU A 1 62 ? -2.126 -12.164 9.218 1.00 97.44 ? 62 LEU A CG 1 Q76EI6 UNP 62 L +ATOM 486 C CD1 . LEU A 1 62 ? -3.220 -11.197 8.770 1.00 97.44 ? 62 LEU A CD1 1 Q76EI6 UNP 62 L +ATOM 487 C CD2 . LEU A 1 62 ? -1.285 -12.470 7.980 1.00 97.44 ? 62 LEU A CD2 1 Q76EI6 UNP 62 L +ATOM 488 N N . PRO A 1 63 ? -1.394 -13.061 13.295 1.00 97.69 ? 63 PRO A N 1 Q76EI6 UNP 63 P +ATOM 489 C CA . PRO A 1 63 ? -1.753 -14.165 14.188 1.00 97.69 ? 63 PRO A CA 1 Q76EI6 UNP 63 P +ATOM 490 C C . PRO A 1 63 ? -2.966 -13.886 15.080 1.00 97.69 ? 63 PRO A C 1 Q76EI6 UNP 63 P +ATOM 491 C CB . PRO A 1 63 ? -0.504 -14.433 15.030 1.00 97.69 ? 63 PRO A CB 1 Q76EI6 UNP 63 P +ATOM 492 O O . PRO A 1 63 ? -3.774 -14.783 15.300 1.00 97.69 ? 63 PRO A O 1 Q76EI6 UNP 63 P +ATOM 493 C CG . PRO A 1 63 ? 0.630 -14.039 14.090 1.00 97.69 ? 63 PRO A CG 1 Q76EI6 UNP 63 P +ATOM 494 C CD . PRO A 1 63 ? 0.042 -12.844 13.352 1.00 97.69 ? 63 PRO A CD 1 Q76EI6 UNP 63 P +ATOM 495 N N . PHE A 1 64 ? -3.154 -12.647 15.544 1.00 96.62 ? 64 PHE A N 1 Q76EI6 UNP 64 F +ATOM 496 C CA . PHE A 1 64 ? -4.340 -12.289 16.327 1.00 96.62 ? 64 PHE A CA 1 Q76EI6 UNP 64 F +ATOM 497 C C . PHE A 1 64 ? -5.619 -12.365 15.480 1.00 96.62 ? 64 PHE A C 1 Q76EI6 UNP 64 F +ATOM 498 C CB . PHE A 1 64 ? -4.162 -10.895 16.932 1.00 96.62 ? 64 PHE A CB 1 Q76EI6 UNP 64 F +ATOM 499 O O . PHE A 1 64 ? -6.641 -12.852 15.959 1.00 96.62 ? 64 PHE A O 1 Q76EI6 UNP 64 F +ATOM 500 C CG . PHE A 1 64 ? -3.010 -10.774 17.910 1.00 96.62 ? 64 PHE A CG 1 Q76EI6 UNP 64 F +ATOM 501 C CD1 . PHE A 1 64 ? -3.170 -11.189 19.243 1.00 96.62 ? 64 PHE A CD1 1 Q76EI6 UNP 64 F +ATOM 502 C CD2 . PHE A 1 64 ? -1.774 -10.255 17.490 1.00 96.62 ? 64 PHE A CD2 1 Q76EI6 UNP 64 F +ATOM 503 C CE1 . PHE A 1 64 ? -2.102 -11.080 20.152 1.00 96.62 ? 64 PHE A CE1 1 Q76EI6 UNP 64 F +ATOM 504 C CE2 . PHE A 1 64 ? -0.701 -10.150 18.391 1.00 96.62 ? 64 PHE A CE2 1 Q76EI6 UNP 64 F +ATOM 505 C CZ . PHE A 1 64 ? -0.866 -10.560 19.726 1.00 96.62 ? 64 PHE A CZ 1 Q76EI6 UNP 64 F +ATOM 506 N N . ARG A 1 65 ? -5.549 -11.976 14.198 1.00 94.75 ? 65 ARG A N 1 Q76EI6 UNP 65 R +ATOM 507 C CA . ARG A 1 65 ? -6.649 -12.148 13.231 1.00 94.75 ? 65 ARG A CA 1 Q76EI6 UNP 65 R +ATOM 508 C C . ARG A 1 65 ? -6.911 -13.612 12.893 1.00 94.75 ? 65 ARG A C 1 Q76EI6 UNP 65 R +ATOM 509 C CB . ARG A 1 65 ? -6.362 -11.364 11.939 1.00 94.75 ? 65 ARG A CB 1 Q76EI6 UNP 65 R +ATOM 510 O O . ARG A 1 65 ? -8.060 -13.996 12.714 1.00 94.75 ? 65 ARG A O 1 Q76EI6 UNP 65 R +ATOM 511 C CG . ARG A 1 65 ? -6.358 -9.842 12.116 1.00 94.75 ? 65 ARG A CG 1 Q76EI6 UNP 65 R +ATOM 512 C CD . ARG A 1 65 ? -7.719 -9.361 12.626 1.00 94.75 ? 65 ARG A CD 1 Q76EI6 UNP 65 R +ATOM 513 N NE . ARG A 1 65 ? -7.860 -7.906 12.496 1.00 94.75 ? 65 ARG A NE 1 Q76EI6 UNP 65 R +ATOM 514 N NH1 . ARG A 1 65 ? -10.085 -7.813 13.108 1.00 94.75 ? 65 ARG A NH1 1 Q76EI6 UNP 65 R +ATOM 515 N NH2 . ARG A 1 65 ? -9.022 -5.978 12.414 1.00 94.75 ? 65 ARG A NH2 1 Q76EI6 UNP 65 R +ATOM 516 C CZ . ARG A 1 65 ? -8.987 -7.248 12.684 1.00 94.75 ? 65 ARG A CZ 1 Q76EI6 UNP 65 R +ATOM 517 N N . ILE A 1 66 ? -5.868 -14.439 12.841 1.00 96.00 ? 66 ILE A N 1 Q76EI6 UNP 66 I +ATOM 518 C CA . ILE A 1 66 ? -5.991 -15.892 12.653 1.00 96.00 ? 66 ILE A CA 1 Q76EI6 UNP 66 I +ATOM 519 C C . ILE A 1 66 ? -6.737 -16.516 13.839 1.00 96.00 ? 66 ILE A C 1 Q76EI6 UNP 66 I +ATOM 520 C CB . ILE A 1 66 ? -4.593 -16.519 12.429 1.00 96.00 ? 66 ILE A CB 1 Q76EI6 UNP 66 I +ATOM 521 O O . ILE A 1 66 ? -7.669 -17.288 13.628 1.00 96.00 ? 66 ILE A O 1 Q76EI6 UNP 66 I +ATOM 522 C CG1 . ILE A 1 66 ? -4.042 -16.076 11.055 1.00 96.00 ? 66 ILE A CG1 1 Q76EI6 UNP 66 I +ATOM 523 C CG2 . ILE A 1 66 ? -4.595 -18.055 12.517 1.00 96.00 ? 66 ILE A CG2 1 Q76EI6 UNP 66 I +ATOM 524 C CD1 . ILE A 1 66 ? -2.572 -16.437 10.803 1.00 96.00 ? 66 ILE A CD1 1 Q76EI6 UNP 66 I +ATOM 525 N N . VAL A 1 67 ? -6.378 -16.158 15.077 1.00 94.88 ? 67 VAL A N 1 Q76EI6 UNP 67 V +ATOM 526 C CA . VAL A 1 67 ? -7.064 -16.645 16.289 1.00 94.88 ? 67 VAL A CA 1 Q76EI6 UNP 67 V +ATOM 527 C C . VAL A 1 67 ? -8.527 -16.193 16.324 1.00 94.88 ? 67 VAL A C 1 Q76EI6 UNP 67 V +ATOM 528 C CB . VAL A 1 67 ? -6.312 -16.193 17.558 1.00 94.88 ? 67 VAL A CB 1 Q76EI6 UNP 67 V +ATOM 529 O O . VAL A 1 67 ? -9.407 -16.993 16.646 1.00 94.88 ? 67 VAL A O 1 Q76EI6 UNP 67 V +ATOM 530 C CG1 . VAL A 1 67 ? -7.081 -16.503 18.850 1.00 94.88 ? 67 VAL A CG1 1 Q76EI6 UNP 67 V +ATOM 531 C CG2 . VAL A 1 67 ? -4.956 -16.904 17.663 1.00 94.88 ? 67 VAL A CG2 1 Q76EI6 UNP 67 V +ATOM 532 N N . GLU A 1 68 ? -8.797 -14.941 15.955 1.00 92.81 ? 68 GLU A N 1 Q76EI6 UNP 68 E +ATOM 533 C CA . GLU A 1 68 ? -10.155 -14.400 15.832 1.00 92.81 ? 68 GLU A CA 1 Q76EI6 UNP 68 E +ATOM 534 C C . GLU A 1 68 ? -10.975 -15.162 14.776 1.00 92.81 ? 68 GLU A C 1 Q76EI6 UNP 68 E +ATOM 535 C CB . GLU A 1 68 ? -10.043 -12.899 15.518 1.00 92.81 ? 68 GLU A CB 1 Q76EI6 UNP 68 E +ATOM 536 O O . GLU A 1 68 ? -12.078 -15.625 15.070 1.00 92.81 ? 68 GLU A O 1 Q76EI6 UNP 68 E +ATOM 537 C CG . GLU A 1 68 ? -11.393 -12.207 15.300 1.00 92.81 ? 68 GLU A CG 1 Q76EI6 UNP 68 E +ATOM 538 C CD . GLU A 1 68 ? -11.224 -10.698 15.066 1.00 92.81 ? 68 GLU A CD 1 Q76EI6 UNP 68 E +ATOM 539 O OE1 . GLU A 1 68 ? -11.958 -9.922 15.713 1.00 92.81 ? 68 GLU A OE1 1 Q76EI6 UNP 68 E +ATOM 540 O OE2 . GLU A 1 68 ? -10.342 -10.303 14.258 1.00 92.81 ? 68 GLU A OE2 1 Q76EI6 UNP 68 E +ATOM 541 N N . ALA A 1 69 ? -10.427 -15.381 13.577 1.00 92.56 ? 69 ALA A N 1 Q76EI6 UNP 69 A +ATOM 542 C CA . ALA A 1 69 ? -11.093 -16.131 12.510 1.00 92.56 ? 69 ALA A CA 1 Q76EI6 UNP 69 A +ATOM 543 C C . ALA A 1 69 ? -11.340 -17.602 12.894 1.00 92.56 ? 69 ALA A C 1 Q76EI6 UNP 69 A +ATOM 544 C CB . ALA A 1 69 ? -10.255 -16.012 11.231 1.00 92.56 ? 69 ALA A CB 1 Q76EI6 UNP 69 A +ATOM 545 O O . ALA A 1 69 ? -12.426 -18.130 12.659 1.00 92.56 ? 69 ALA A O 1 Q76EI6 UNP 69 A +ATOM 546 N N . ALA A 1 70 ? -10.379 -18.255 13.558 1.00 93.50 ? 70 ALA A N 1 Q76EI6 UNP 70 A +ATOM 547 C CA . ALA A 1 70 ? -10.534 -19.616 14.083 1.00 93.50 ? 70 ALA A CA 1 Q76EI6 UNP 70 A +ATOM 548 C C . ALA A 1 70 ? -11.622 -19.719 15.168 1.00 93.50 ? 70 ALA A C 1 Q76EI6 UNP 70 A +ATOM 549 C CB . ALA A 1 70 ? -9.176 -20.082 14.621 1.00 93.50 ? 70 ALA A CB 1 Q76EI6 UNP 70 A +ATOM 550 O O . ALA A 1 70 ? -12.175 -20.793 15.403 1.00 93.50 ? 70 ALA A O 1 Q76EI6 UNP 70 A +ATOM 551 N N . SER A 1 71 ? -11.950 -18.594 15.803 1.00 91.62 ? 71 SER A N 1 Q76EI6 UNP 71 S +ATOM 552 C CA . SER A 1 71 ? -12.952 -18.468 16.860 1.00 91.62 ? 71 SER A CA 1 Q76EI6 UNP 71 S +ATOM 553 C C . SER A 1 71 ? -14.325 -18.008 16.347 1.00 91.62 ? 71 SER A C 1 Q76EI6 UNP 71 S +ATOM 554 C CB . SER A 1 71 ? -12.414 -17.530 17.944 1.00 91.62 ? 71 SER A CB 1 Q76EI6 UNP 71 S +ATOM 555 O O . SER A 1 71 ? -15.121 -17.509 17.140 1.00 91.62 ? 71 SER A O 1 Q76EI6 UNP 71 S +ATOM 556 O OG . SER A 1 71 ? -11.238 -18.074 18.515 1.00 91.62 ? 71 SER A OG 1 Q76EI6 UNP 71 S +ATOM 557 N N . ASN A 1 72 ? -14.624 -18.161 15.048 1.00 89.06 ? 72 ASN A N 1 Q76EI6 UNP 72 N +ATOM 558 C CA . ASN A 1 72 ? -15.839 -17.632 14.400 1.00 89.06 ? 72 ASN A CA 1 Q76EI6 UNP 72 N +ATOM 559 C C . ASN A 1 72 ? -15.997 -16.112 14.587 1.00 89.06 ? 72 ASN A C 1 Q76EI6 UNP 72 N +ATOM 560 C CB . ASN A 1 72 ? -17.093 -18.421 14.833 1.00 89.06 ? 72 ASN A CB 1 Q76EI6 UNP 72 N +ATOM 561 O O . ASN A 1 72 ? -17.064 -15.632 14.964 1.00 89.06 ? 72 ASN A O 1 Q76EI6 UNP 72 N +ATOM 562 C CG . ASN A 1 72 ? -17.107 -19.837 14.311 1.00 89.06 ? 72 ASN A CG 1 Q76EI6 UNP 72 N +ATOM 563 N ND2 . ASN A 1 72 ? -17.168 -20.832 15.166 1.00 89.06 ? 72 ASN A ND2 1 Q76EI6 UNP 72 N +ATOM 564 O OD1 . ASN A 1 72 ? -17.074 -20.075 13.123 1.00 89.06 ? 72 ASN A OD1 1 Q76EI6 UNP 72 N +ATOM 565 N N . PHE A 1 73 ? -14.906 -15.363 14.402 1.00 89.06 ? 73 PHE A N 1 Q76EI6 UNP 73 F +ATOM 566 C CA . PHE A 1 73 ? -14.850 -13.909 14.599 1.00 89.06 ? 73 PHE A CA 1 Q76EI6 UNP 73 F +ATOM 567 C C . PHE A 1 73 ? -15.216 -13.441 16.016 1.00 89.06 ? 73 PHE A C 1 Q76EI6 UNP 73 F +ATOM 568 C CB . PHE A 1 73 ? -15.609 -13.181 13.479 1.00 89.06 ? 73 PHE A CB 1 Q76EI6 UNP 73 F +ATOM 569 O O . PHE A 1 73 ? -15.576 -12.283 16.228 1.00 89.06 ? 73 PHE A O 1 Q76EI6 UNP 73 F +ATOM 570 C CG . PHE A 1 73 ? -15.057 -13.491 12.105 1.00 89.06 ? 73 PHE A CG 1 Q76EI6 UNP 73 F +ATOM 571 C CD1 . PHE A 1 73 ? -13.828 -12.927 11.719 1.00 89.06 ? 73 PHE A CD1 1 Q76EI6 UNP 73 F +ATOM 572 C CD2 . PHE A 1 73 ? -15.746 -14.352 11.229 1.00 89.06 ? 73 PHE A CD2 1 Q76EI6 UNP 73 F +ATOM 573 C CE1 . PHE A 1 73 ? -13.266 -13.254 10.476 1.00 89.06 ? 73 PHE A CE1 1 Q76EI6 UNP 73 F +ATOM 574 C CE2 . PHE A 1 73 ? -15.196 -14.656 9.972 1.00 89.06 ? 73 PHE A CE2 1 Q76EI6 UNP 73 F +ATOM 575 C CZ . PHE A 1 73 ? -13.944 -14.132 9.616 1.00 89.06 ? 73 PHE A CZ 1 Q76EI6 UNP 73 F +ATOM 576 N N . ARG A 1 74 ? -15.089 -14.335 17.008 1.00 90.06 ? 74 ARG A N 1 Q76EI6 UNP 74 R +ATOM 577 C CA . ARG A 1 74 ? -15.217 -13.989 18.425 1.00 90.06 ? 74 ARG A CA 1 Q76EI6 UNP 74 R +ATOM 578 C C . ARG A 1 74 ? -13.860 -13.605 19.009 1.00 90.06 ? 74 ARG A C 1 Q76EI6 UNP 74 R +ATOM 579 C CB . ARG A 1 74 ? -15.899 -15.104 19.226 1.00 90.06 ? 74 ARG A CB 1 Q76EI6 UNP 74 R +ATOM 580 O O . ARG A 1 74 ? -12.885 -14.349 18.905 1.00 90.06 ? 74 ARG A O 1 Q76EI6 UNP 74 R +ATOM 581 C CG . ARG A 1 74 ? -17.319 -15.402 18.717 1.00 90.06 ? 74 ARG A CG 1 Q76EI6 UNP 74 R +ATOM 582 C CD . ARG A 1 74 ? -17.970 -16.472 19.597 1.00 90.06 ? 74 ARG A CD 1 Q76EI6 UNP 74 R +ATOM 583 N NE . ARG A 1 74 ? -19.352 -16.771 19.177 1.00 90.06 ? 74 ARG A NE 1 Q76EI6 UNP 74 R +ATOM 584 N NH1 . ARG A 1 74 ? -20.109 -17.605 21.185 1.00 90.06 ? 74 ARG A NH1 1 Q76EI6 UNP 74 R +ATOM 585 N NH2 . ARG A 1 74 ? -21.504 -17.468 19.454 1.00 90.06 ? 74 ARG A NH2 1 Q76EI6 UNP 74 R +ATOM 586 C CZ . ARG A 1 74 ? -20.309 -17.279 19.937 1.00 90.06 ? 74 ARG A CZ 1 Q76EI6 UNP 74 R +ATOM 587 N N . TRP A 1 75 ? -13.808 -12.452 19.666 1.00 91.06 ? 75 TRP A N 1 Q76EI6 UNP 75 W +ATOM 588 C CA . TRP A 1 75 ? -12.611 -11.883 20.278 1.00 91.06 ? 75 TRP A CA 1 Q76EI6 UNP 75 W +ATOM 589 C C . TRP A 1 75 ? -12.536 -12.145 21.791 1.00 91.06 ? 75 TRP A C 1 Q76EI6 UNP 75 W +ATOM 590 C CB . TRP A 1 75 ? -12.551 -10.387 19.966 1.00 91.06 ? 75 TRP A CB 1 Q76EI6 UNP 75 W +ATOM 591 O O . TRP A 1 75 ? -13.054 -11.378 22.598 1.00 91.06 ? 75 TRP A O 1 Q76EI6 UNP 75 W +ATOM 592 C CG . TRP A 1 75 ? -11.281 -9.773 20.454 1.00 91.06 ? 75 TRP A CG 1 Q76EI6 UNP 75 W +ATOM 593 C CD1 . TRP A 1 75 ? -11.070 -9.271 21.690 1.00 91.06 ? 75 TRP A CD1 1 Q76EI6 UNP 75 W +ATOM 594 C CD2 . TRP A 1 75 ? -10.008 -9.679 19.756 1.00 91.06 ? 75 TRP A CD2 1 Q76EI6 UNP 75 W +ATOM 595 C CE2 . TRP A 1 75 ? -9.047 -9.131 20.653 1.00 91.06 ? 75 TRP A CE2 1 Q76EI6 UNP 75 W +ATOM 596 C CE3 . TRP A 1 75 ? -9.566 -10.015 18.461 1.00 91.06 ? 75 TRP A CE3 1 Q76EI6 UNP 75 W +ATOM 597 N NE1 . TRP A 1 75 ? -9.746 -8.914 21.822 1.00 91.06 ? 75 TRP A NE1 1 Q76EI6 UNP 75 W +ATOM 598 C CH2 . TRP A 1 75 ? -7.299 -9.274 18.987 1.00 91.06 ? 75 TRP A CH2 1 Q76EI6 UNP 75 W +ATOM 599 C CZ2 . TRP A 1 75 ? -7.709 -8.947 20.288 1.00 91.06 ? 75 TRP A CZ2 1 Q76EI6 UNP 75 W +ATOM 600 C CZ3 . TRP A 1 75 ? -8.227 -9.811 18.076 1.00 91.06 ? 75 TRP A CZ3 1 Q76EI6 UNP 75 W +ATOM 601 N N . TYR A 1 76 ? -11.847 -13.212 22.196 1.00 90.81 ? 76 TYR A N 1 Q76EI6 UNP 76 Y +ATOM 602 C CA . TYR A 1 76 ? -11.717 -13.590 23.615 1.00 90.81 ? 76 TYR A CA 1 Q76EI6 UNP 76 Y +ATOM 603 C C . TYR A 1 76 ? -10.570 -12.895 24.367 1.00 90.81 ? 76 TYR A C 1 Q76EI6 UNP 76 Y +ATOM 604 C CB . TYR A 1 76 ? -11.576 -15.111 23.711 1.00 90.81 ? 76 TYR A CB 1 Q76EI6 UNP 76 Y +ATOM 605 O O . TYR A 1 76 ? -10.442 -13.043 25.582 1.00 90.81 ? 76 TYR A O 1 Q76EI6 UNP 76 Y +ATOM 606 C CG . TYR A 1 76 ? -12.775 -15.860 23.170 1.00 90.81 ? 76 TYR A CG 1 Q76EI6 UNP 76 Y +ATOM 607 C CD1 . TYR A 1 76 ? -13.994 -15.821 23.874 1.00 90.81 ? 76 TYR A CD1 1 Q76EI6 UNP 76 Y +ATOM 608 C CD2 . TYR A 1 76 ? -12.675 -16.594 21.972 1.00 90.81 ? 76 TYR A CD2 1 Q76EI6 UNP 76 Y +ATOM 609 C CE1 . TYR A 1 76 ? -15.118 -16.512 23.382 1.00 90.81 ? 76 TYR A CE1 1 Q76EI6 UNP 76 Y +ATOM 610 C CE2 . TYR A 1 76 ? -13.789 -17.306 21.496 1.00 90.81 ? 76 TYR A CE2 1 Q76EI6 UNP 76 Y +ATOM 611 O OH . TYR A 1 76 ? -16.083 -17.944 21.713 1.00 90.81 ? 76 TYR A OH 1 Q76EI6 UNP 76 Y +ATOM 612 C CZ . TYR A 1 76 ? -15.013 -17.258 22.192 1.00 90.81 ? 76 TYR A CZ 1 Q76EI6 UNP 76 Y +ATOM 613 N N . LEU A 1 77 ? -9.703 -12.164 23.663 1.00 91.56 ? 77 LEU A N 1 Q76EI6 UNP 77 L +ATOM 614 C CA . LEU A 1 77 ? -8.563 -11.480 24.275 1.00 91.56 ? 77 LEU A CA 1 Q76EI6 UNP 77 L +ATOM 615 C C . LEU A 1 77 ? -8.998 -10.170 24.956 1.00 91.56 ? 77 LEU A C 1 Q76EI6 UNP 77 L +ATOM 616 C CB . LEU A 1 77 ? -7.473 -11.251 23.214 1.00 91.56 ? 77 LEU A CB 1 Q76EI6 UNP 77 L +ATOM 617 O O . LEU A 1 77 ? -10.038 -9.602 24.616 1.00 91.56 ? 77 LEU A O 1 Q76EI6 UNP 77 L +ATOM 618 C CG . LEU A 1 77 ? -6.800 -12.534 22.704 1.00 91.56 ? 77 LEU A CG 1 Q76EI6 UNP 77 L +ATOM 619 C CD1 . LEU A 1 77 ? -5.943 -12.202 21.485 1.00 91.56 ? 77 LEU A CD1 1 Q76EI6 UNP 77 L +ATOM 620 C CD2 . LEU A 1 77 ? -5.899 -13.163 23.768 1.00 91.56 ? 77 LEU A CD2 1 Q76EI6 UNP 77 L +ATOM 621 N N . PRO A 1 78 ? -8.188 -9.619 25.878 1.00 91.62 ? 78 PRO A N 1 Q76EI6 UNP 78 P +ATOM 622 C CA . PRO A 1 78 ? -8.519 -8.366 26.544 1.00 91.62 ? 78 PRO A CA 1 Q76EI6 UNP 78 P +ATOM 623 C C . PRO A 1 78 ? -8.772 -7.211 25.568 1.00 91.62 ? 78 PRO A C 1 Q76EI6 UNP 78 P +ATOM 624 C CB . PRO A 1 78 ? -7.342 -8.067 27.475 1.00 91.62 ? 78 PRO A CB 1 Q76EI6 UNP 78 P +ATOM 625 O O . PRO A 1 78 ? -8.165 -7.117 24.496 1.00 91.62 ? 78 PRO A O 1 Q76EI6 UNP 78 P +ATOM 626 C CG . PRO A 1 78 ? -6.763 -9.450 27.763 1.00 91.62 ? 78 PRO A CG 1 Q76EI6 UNP 78 P +ATOM 627 C CD . PRO A 1 78 ? -6.978 -10.193 26.448 1.00 91.62 ? 78 PRO A CD 1 Q76EI6 UNP 78 P +ATOM 628 N N . LYS A 1 79 ? -9.614 -6.267 25.994 1.00 89.75 ? 79 LYS A N 1 Q76EI6 UNP 79 K +ATOM 629 C CA . LYS A 1 79 ? -9.998 -5.082 25.213 1.00 89.75 ? 79 LYS A CA 1 Q76EI6 UNP 79 K +ATOM 630 C C . LYS A 1 79 ? -8.803 -4.265 24.707 1.00 89.75 ? 79 LYS A C 1 Q76EI6 UNP 79 K +ATOM 631 C CB . LYS A 1 79 ? -10.930 -4.236 26.091 1.00 89.75 ? 79 LYS A CB 1 Q76EI6 UNP 79 K +ATOM 632 O O . LYS A 1 79 ? -8.822 -3.795 23.572 1.00 89.75 ? 79 LYS A O 1 Q76EI6 UNP 79 K +ATOM 633 C CG . LYS A 1 79 ? -11.477 -3.029 25.329 1.00 89.75 ? 79 LYS A CG 1 Q76EI6 UNP 79 K +ATOM 634 C CD . LYS A 1 79 ? -12.579 -2.326 26.124 1.00 89.75 ? 79 LYS A CD 1 Q76EI6 UNP 79 K +ATOM 635 C CE . LYS A 1 79 ? -13.085 -1.202 25.234 1.00 89.75 ? 79 LYS A CE 1 Q76EI6 UNP 79 K +ATOM 636 N NZ . LYS A 1 79 ? -14.421 -0.702 25.613 1.00 89.75 ? 79 LYS A NZ 1 Q76EI6 UNP 79 K +ATOM 637 N N . ILE A 1 80 ? -7.753 -4.142 25.521 1.00 92.31 ? 80 ILE A N 1 Q76EI6 UNP 80 I +ATOM 638 C CA . ILE A 1 80 ? -6.515 -3.448 25.141 1.00 92.31 ? 80 ILE A CA 1 Q76EI6 UNP 80 I +ATOM 639 C C . ILE A 1 80 ? -5.797 -4.141 23.978 1.00 92.31 ? 80 ILE A C 1 Q76EI6 UNP 80 I +ATOM 640 C CB . ILE A 1 80 ? -5.593 -3.273 26.372 1.00 92.31 ? 80 ILE A CB 1 Q76EI6 UNP 80 I +ATOM 641 O O . ILE A 1 80 ? -5.287 -3.470 23.085 1.00 92.31 ? 80 ILE A O 1 Q76EI6 UNP 80 I +ATOM 642 C CG1 . ILE A 1 80 ? -4.310 -2.472 26.060 1.00 92.31 ? 80 ILE A CG1 1 Q76EI6 UNP 80 I +ATOM 643 C CG2 . ILE A 1 80 ? -5.190 -4.615 27.014 1.00 92.31 ? 80 ILE A CG2 1 Q76EI6 UNP 80 I +ATOM 644 C CD1 . ILE A 1 80 ? -4.565 -1.044 25.562 1.00 92.31 ? 80 ILE A CD1 1 Q76EI6 UNP 80 I +ATOM 645 N N . VAL A 1 81 ? -5.811 -5.476 23.932 1.00 94.94 ? 81 VAL A N 1 Q76EI6 UNP 81 V +ATOM 646 C CA . VAL A 1 81 ? -5.192 -6.235 22.840 1.00 94.94 ? 81 VAL A CA 1 Q76EI6 UNP 81 V +ATOM 647 C C . VAL A 1 81 ? -5.973 -6.017 21.546 1.00 94.94 ? 81 VAL A C 1 Q76EI6 UNP 81 V +ATOM 648 C CB . VAL A 1 81 ? -5.059 -7.734 23.175 1.00 94.94 ? 81 VAL A CB 1 Q76EI6 UNP 81 V +ATOM 649 O O . VAL A 1 81 ? -5.347 -5.826 20.509 1.00 94.94 ? 81 VAL A O 1 Q76EI6 UNP 81 V +ATOM 650 C CG1 . VAL A 1 81 ? -4.272 -8.478 22.089 1.00 94.94 ? 81 VAL A CG1 1 Q76EI6 UNP 81 V +ATOM 651 C CG2 . VAL A 1 81 ? -4.310 -7.946 24.499 1.00 94.94 ? 81 VAL A CG2 1 Q76EI6 UNP 81 V +ATOM 652 N N . CYS A 1 82 ? -7.311 -5.953 21.600 1.00 94.56 ? 82 CYS A N 1 Q76EI6 UNP 82 C +ATOM 653 C CA . CYS A 1 82 ? -8.132 -5.583 20.438 1.00 94.56 ? 82 CYS A CA 1 Q76EI6 UNP 82 C +ATOM 654 C C . CYS A 1 82 ? -7.759 -4.190 19.919 1.00 94.56 ? 82 CYS A C 1 Q76EI6 UNP 82 C +ATOM 655 C CB . CYS A 1 82 ? -9.624 -5.624 20.800 1.00 94.56 ? 82 CYS A CB 1 Q76EI6 UNP 82 C +ATOM 656 O O . CYS A 1 82 ? -7.464 -4.029 18.735 1.00 94.56 ? 82 CYS A O 1 Q76EI6 UNP 82 C +ATOM 657 S SG . CYS A 1 82 ? -10.715 -4.892 19.558 1.00 94.56 ? 82 CYS A SG 1 Q76EI6 UNP 82 C +ATOM 658 N N . ALA A 1 83 ? -7.710 -3.197 20.815 1.00 94.62 ? 83 ALA A N 1 Q76EI6 UNP 83 A +ATOM 659 C CA . ALA A 1 83 ? -7.389 -1.819 20.456 1.00 94.62 ? 83 ALA A CA 1 Q76EI6 UNP 83 A +ATOM 660 C C . ALA A 1 83 ? -6.012 -1.712 19.782 1.00 94.62 ? 83 ALA A C 1 Q76EI6 UNP 83 A +ATOM 661 C CB . ALA A 1 83 ? -7.462 -0.946 21.715 1.00 94.62 ? 83 ALA A CB 1 Q76EI6 UNP 83 A +ATOM 662 O O . ALA A 1 83 ? -5.906 -1.143 18.699 1.00 94.62 ? 83 ALA A O 1 Q76EI6 UNP 83 A +ATOM 663 N N . LEU A 1 84 ? -4.972 -2.296 20.388 1.00 96.94 ? 84 LEU A N 1 Q76EI6 UNP 84 L +ATOM 664 C CA . LEU A 1 84 ? -3.602 -2.247 19.865 1.00 96.94 ? 84 LEU A CA 1 Q76EI6 UNP 84 L +ATOM 665 C C . LEU A 1 84 ? -3.438 -3.050 18.571 1.00 96.94 ? 84 LEU A C 1 Q76EI6 UNP 84 L +ATOM 666 C CB . LEU A 1 84 ? -2.626 -2.762 20.937 1.00 96.94 ? 84 LEU A CB 1 Q76EI6 UNP 84 L +ATOM 667 O O . LEU A 1 84 ? -2.770 -2.585 17.648 1.00 96.94 ? 84 LEU A O 1 Q76EI6 UNP 84 L +ATOM 668 C CG . LEU A 1 84 ? -2.496 -1.865 22.180 1.00 96.94 ? 84 LEU A CG 1 Q76EI6 UNP 84 L +ATOM 669 C CD1 . LEU A 1 84 ? -1.550 -2.531 23.180 1.00 96.94 ? 84 LEU A CD1 1 Q76EI6 UNP 84 L +ATOM 670 C CD2 . LEU A 1 84 ? -1.949 -0.476 21.846 1.00 96.94 ? 84 LEU A CD2 1 Q76EI6 UNP 84 L +ATOM 671 N N . THR A 1 85 ? -4.071 -4.223 18.485 1.00 97.00 ? 85 THR A N 1 Q76EI6 UNP 85 T +ATOM 672 C CA . THR A 1 85 ? -4.032 -5.063 17.281 1.00 97.00 ? 85 THR A CA 1 Q76EI6 UNP 85 T +ATOM 673 C C . THR A 1 85 ? -4.707 -4.351 16.122 1.00 97.00 ? 85 THR A C 1 Q76EI6 UNP 85 T +ATOM 674 C CB . THR A 1 85 ? -4.696 -6.430 17.503 1.00 97.00 ? 85 THR A CB 1 Q76EI6 UNP 85 T +ATOM 675 O O . THR A 1 85 ? -4.094 -4.192 15.072 1.00 97.00 ? 85 THR A O 1 Q76EI6 UNP 85 T +ATOM 676 C CG2 . THR A 1 85 ? -4.624 -7.338 16.278 1.00 97.00 ? 85 THR A CG2 1 Q76EI6 UNP 85 T +ATOM 677 O OG1 . THR A 1 85 ? -4.046 -7.107 18.549 1.00 97.00 ? 85 THR A OG1 1 Q76EI6 UNP 85 T +ATOM 678 N N . GLY A 1 86 ? -5.938 -3.867 16.310 1.00 96.19 ? 86 GLY A N 1 Q76EI6 UNP 86 G +ATOM 679 C CA . GLY A 1 86 ? -6.654 -3.112 15.286 1.00 96.19 ? 86 GLY A CA 1 Q76EI6 UNP 86 G +ATOM 680 C C . GLY A 1 86 ? -5.879 -1.864 14.868 1.00 96.19 ? 86 GLY A C 1 Q76EI6 UNP 86 G +ATOM 681 O O . GLY A 1 86 ? -5.664 -1.644 13.678 1.00 96.19 ? 86 GLY A O 1 Q76EI6 UNP 86 G +ATOM 682 N N . PHE A 1 87 ? -5.398 -1.088 15.841 1.00 97.75 ? 87 PHE A N 1 Q76EI6 UNP 87 F +ATOM 683 C CA . PHE A 1 87 ? -4.618 0.121 15.596 1.00 97.75 ? 87 PHE A CA 1 Q76EI6 UNP 87 F +ATOM 684 C C . PHE A 1 87 ? -3.388 -0.149 14.732 1.00 97.75 ? 87 PHE A C 1 Q76EI6 UNP 87 F +ATOM 685 C CB . PHE A 1 87 ? -4.201 0.729 16.935 1.00 97.75 ? 87 PHE A CB 1 Q76EI6 UNP 87 F +ATOM 686 O O . PHE A 1 87 ? -3.255 0.441 13.660 1.00 97.75 ? 87 PHE A O 1 Q76EI6 UNP 87 F +ATOM 687 C CG . PHE A 1 87 ? -3.246 1.890 16.793 1.00 97.75 ? 87 PHE A CG 1 Q76EI6 UNP 87 F +ATOM 688 C CD1 . PHE A 1 87 ? -1.914 1.789 17.241 1.00 97.75 ? 87 PHE A CD1 1 Q76EI6 UNP 87 F +ATOM 689 C CD2 . PHE A 1 87 ? -3.695 3.074 16.192 1.00 97.75 ? 87 PHE A CD2 1 Q76EI6 UNP 87 F +ATOM 690 C CE1 . PHE A 1 87 ? -1.046 2.888 17.111 1.00 97.75 ? 87 PHE A CE1 1 Q76EI6 UNP 87 F +ATOM 691 C CE2 . PHE A 1 87 ? -2.829 4.166 16.059 1.00 97.75 ? 87 PHE A CE2 1 Q76EI6 UNP 87 F +ATOM 692 C CZ . PHE A 1 87 ? -1.511 4.081 16.529 1.00 97.75 ? 87 PHE A CZ 1 Q76EI6 UNP 87 F +ATOM 693 N N . GLY A 1 88 ? -2.505 -1.053 15.161 1.00 98.25 ? 88 GLY A N 1 Q76EI6 UNP 88 G +ATOM 694 C CA . GLY A 1 88 ? -1.276 -1.343 14.428 1.00 98.25 ? 88 GLY A CA 1 Q76EI6 UNP 88 G +ATOM 695 C C . GLY A 1 88 ? -1.553 -1.964 13.059 1.00 98.25 ? 88 GLY A C 1 Q76EI6 UNP 88 G +ATOM 696 O O . GLY A 1 88 ? -0.881 -1.629 12.085 1.00 98.25 ? 88 GLY A O 1 Q76EI6 UNP 88 G +ATOM 697 N N . PHE A 1 89 ? -2.578 -2.809 12.955 1.00 97.81 ? 89 PHE A N 1 Q76EI6 UNP 89 F +ATOM 698 C CA . PHE A 1 89 ? -2.932 -3.499 11.722 1.00 97.81 ? 89 PHE A CA 1 Q76EI6 UNP 89 F +ATOM 699 C C . PHE A 1 89 ? -3.436 -2.523 10.653 1.00 97.81 ? 89 PHE A C 1 Q76EI6 UNP 89 F +ATOM 700 C CB . PHE A 1 89 ? -3.960 -4.575 12.072 1.00 97.81 ? 89 PHE A CB 1 Q76EI6 UNP 89 F +ATOM 701 O O . PHE A 1 89 ? -2.884 -2.470 9.554 1.00 97.81 ? 89 PHE A O 1 Q76EI6 UNP 89 F +ATOM 702 C CG . PHE A 1 89 ? -4.342 -5.457 10.919 1.00 97.81 ? 89 PHE A CG 1 Q76EI6 UNP 89 F +ATOM 703 C CD1 . PHE A 1 89 ? -5.383 -5.070 10.061 1.00 97.81 ? 89 PHE A CD1 1 Q76EI6 UNP 89 F +ATOM 704 C CD2 . PHE A 1 89 ? -3.659 -6.670 10.714 1.00 97.81 ? 89 PHE A CD2 1 Q76EI6 UNP 89 F +ATOM 705 C CE1 . PHE A 1 89 ? -5.757 -5.915 9.012 1.00 97.81 ? 89 PHE A CE1 1 Q76EI6 UNP 89 F +ATOM 706 C CE2 . PHE A 1 89 ? -4.049 -7.518 9.669 1.00 97.81 ? 89 PHE A CE2 1 Q76EI6 UNP 89 F +ATOM 707 C CZ . PHE A 1 89 ? -5.114 -7.149 8.833 1.00 97.81 ? 89 PHE A CZ 1 Q76EI6 UNP 89 F +ATOM 708 N N . TYR A 1 90 ? -4.424 -1.685 10.983 1.00 97.44 ? 90 TYR A N 1 Q76EI6 UNP 90 Y +ATOM 709 C CA . TYR A 1 90 ? -4.945 -0.690 10.043 1.00 97.44 ? 90 TYR A CA 1 Q76EI6 UNP 90 Y +ATOM 710 C C . TYR A 1 90 ? -3.921 0.412 9.749 1.00 97.44 ? 90 TYR A C 1 Q76EI6 UNP 90 Y +ATOM 711 C CB . TYR A 1 90 ? -6.267 -0.112 10.564 1.00 97.44 ? 90 TYR A CB 1 Q76EI6 UNP 90 Y +ATOM 712 O O . TYR A 1 90 ? -3.785 0.821 8.595 1.00 97.44 ? 90 TYR A O 1 Q76EI6 UNP 90 Y +ATOM 713 C CG . TYR A 1 90 ? -7.391 -1.128 10.715 1.00 97.44 ? 90 TYR A CG 1 Q76EI6 UNP 90 Y +ATOM 714 C CD1 . TYR A 1 90 ? -7.786 -1.924 9.622 1.00 97.44 ? 90 TYR A CD1 1 Q76EI6 UNP 90 Y +ATOM 715 C CD2 . TYR A 1 90 ? -8.063 -1.262 11.944 1.00 97.44 ? 90 TYR A CD2 1 Q76EI6 UNP 90 Y +ATOM 716 C CE1 . TYR A 1 90 ? -8.842 -2.846 9.762 1.00 97.44 ? 90 TYR A CE1 1 Q76EI6 UNP 90 Y +ATOM 717 C CE2 . TYR A 1 90 ? -9.122 -2.176 12.091 1.00 97.44 ? 90 TYR A CE2 1 Q76EI6 UNP 90 Y +ATOM 718 O OH . TYR A 1 90 ? -10.569 -3.820 11.107 1.00 97.44 ? 90 TYR A OH 1 Q76EI6 UNP 90 Y +ATOM 719 C CZ . TYR A 1 90 ? -9.523 -2.960 10.991 1.00 97.44 ? 90 TYR A CZ 1 Q76EI6 UNP 90 Y +ATOM 720 N N . SER A 1 91 ? -3.129 0.827 10.745 1.00 98.44 ? 91 SER A N 1 Q76EI6 UNP 91 S +ATOM 721 C CA . SER A 1 91 ? -2.036 1.783 10.522 1.00 98.44 ? 91 SER A CA 1 Q76EI6 UNP 91 S +ATOM 722 C C . SER A 1 91 ? -0.995 1.237 9.546 1.00 98.44 ? 91 SER A C 1 Q76EI6 UNP 91 S +ATOM 723 C CB . SER A 1 91 ? -1.314 2.155 11.818 1.00 98.44 ? 91 SER A CB 1 Q76EI6 UNP 91 S +ATOM 724 O O . SER A 1 91 ? -0.486 1.991 8.725 1.00 98.44 ? 91 SER A O 1 Q76EI6 UNP 91 S +ATOM 725 O OG . SER A 1 91 ? -2.195 2.684 12.777 1.00 98.44 ? 91 SER A OG 1 Q76EI6 UNP 91 S +ATOM 726 N N . SER A 1 92 ? -0.695 -0.065 9.587 1.00 98.44 ? 92 SER A N 1 Q76EI6 UNP 92 S +ATOM 727 C CA . SER A 1 92 ? 0.265 -0.699 8.670 1.00 98.44 ? 92 SER A CA 1 Q76EI6 UNP 92 S +ATOM 728 C C . SER A 1 92 ? -0.231 -0.716 7.224 1.00 98.44 ? 92 SER A C 1 Q76EI6 UNP 92 S +ATOM 729 C CB . SER A 1 92 ? 0.564 -2.133 9.101 1.00 98.44 ? 92 SER A CB 1 Q76EI6 UNP 92 S +ATOM 730 O O . SER A 1 92 ? 0.547 -0.443 6.307 1.00 98.44 ? 92 SER A O 1 Q76EI6 UNP 92 S +ATOM 731 O OG . SER A 1 92 ? 1.110 -2.142 10.398 1.00 98.44 ? 92 SER A OG 1 Q76EI6 UNP 92 S +ATOM 732 N N . ILE A 1 93 ? -1.529 -0.969 7.014 1.00 97.81 ? 93 ILE A N 1 Q76EI6 UNP 93 I +ATOM 733 C CA . ILE A 1 93 ? -2.166 -0.914 5.687 1.00 97.81 ? 93 ILE A CA 1 Q76EI6 UNP 93 I +ATOM 734 C C . ILE A 1 93 ? -1.990 0.483 5.079 1.00 97.81 ? 93 ILE A C 1 Q76EI6 UNP 93 I +ATOM 735 C CB . ILE A 1 93 ? -3.660 -1.321 5.783 1.00 97.81 ? 93 ILE A CB 1 Q76EI6 UNP 93 I +ATOM 736 O O . ILE A 1 93 ? -1.478 0.618 3.969 1.00 97.81 ? 93 ILE A O 1 Q76EI6 UNP 93 I +ATOM 737 C CG1 . ILE A 1 93 ? -3.775 -2.824 6.124 1.00 97.81 ? 93 ILE A CG1 1 Q76EI6 UNP 93 I +ATOM 738 C CG2 . ILE A 1 93 ? -4.418 -1.015 4.476 1.00 97.81 ? 93 ILE A CG2 1 Q76EI6 UNP 93 I +ATOM 739 C CD1 . ILE A 1 93 ? -5.191 -3.294 6.483 1.00 97.81 ? 93 ILE A CD1 1 Q76EI6 UNP 93 I +ATOM 740 N N . TYR A 1 94 ? -2.356 1.530 5.820 1.00 98.56 ? 94 TYR A N 1 Q76EI6 UNP 94 Y +ATOM 741 C CA . TYR A 1 94 ? -2.254 2.906 5.327 1.00 98.56 ? 94 TYR A CA 1 Q76EI6 UNP 94 Y +ATOM 742 C C . TYR A 1 94 ? -0.813 3.432 5.273 1.00 98.56 ? 94 TYR A C 1 Q76EI6 UNP 94 Y +ATOM 743 C CB . TYR A 1 94 ? -3.160 3.806 6.166 1.00 98.56 ? 94 TYR A CB 1 Q76EI6 UNP 94 Y +ATOM 744 O O . TYR A 1 94 ? -0.473 4.221 4.393 1.00 98.56 ? 94 TYR A O 1 Q76EI6 UNP 94 Y +ATOM 745 C CG . TYR A 1 94 ? -4.640 3.556 5.934 1.00 98.56 ? 94 TYR A CG 1 Q76EI6 UNP 94 Y +ATOM 746 C CD1 . TYR A 1 94 ? -5.187 3.768 4.654 1.00 98.56 ? 94 TYR A CD1 1 Q76EI6 UNP 94 Y +ATOM 747 C CD2 . TYR A 1 94 ? -5.475 3.137 6.987 1.00 98.56 ? 94 TYR A CD2 1 Q76EI6 UNP 94 Y +ATOM 748 C CE1 . TYR A 1 94 ? -6.564 3.594 4.433 1.00 98.56 ? 94 TYR A CE1 1 Q76EI6 UNP 94 Y +ATOM 749 C CE2 . TYR A 1 94 ? -6.854 2.951 6.769 1.00 98.56 ? 94 TYR A CE2 1 Q76EI6 UNP 94 Y +ATOM 750 O OH . TYR A 1 94 ? -8.727 2.996 5.264 1.00 98.56 ? 94 TYR A OH 1 Q76EI6 UNP 94 Y +ATOM 751 C CZ . TYR A 1 94 ? -7.401 3.183 5.490 1.00 98.56 ? 94 TYR A CZ 1 Q76EI6 UNP 94 Y +ATOM 752 N N . CYS A 1 95 ? 0.079 2.944 6.135 1.00 98.56 ? 95 CYS A N 1 Q76EI6 UNP 95 C +ATOM 753 C CA . CYS A 1 95 ? 1.501 3.271 6.034 1.00 98.56 ? 95 CYS A CA 1 Q76EI6 UNP 95 C +ATOM 754 C C . CYS A 1 95 ? 2.058 2.756 4.702 1.00 98.56 ? 95 CYS A C 1 Q76EI6 UNP 95 C +ATOM 755 C CB . CYS A 1 95 ? 2.227 2.704 7.259 1.00 98.56 ? 95 CYS A CB 1 Q76EI6 UNP 95 C +ATOM 756 O O . CYS A 1 95 ? 2.764 3.477 3.995 1.00 98.56 ? 95 CYS A O 1 Q76EI6 UNP 95 C +ATOM 757 S SG . CYS A 1 95 ? 3.905 3.385 7.361 1.00 98.56 ? 95 CYS A SG 1 Q76EI6 UNP 95 C +ATOM 758 N N . SER A 1 96 ? 1.648 1.551 4.300 1.00 98.19 ? 96 SER A N 1 Q76EI6 UNP 96 S +ATOM 759 C CA . SER A 1 96 ? 2.039 0.946 3.027 1.00 98.19 ? 96 SER A CA 1 Q76EI6 UNP 96 S +ATOM 760 C C . SER A 1 96 ? 1.556 1.761 1.823 1.00 98.19 ? 96 SER A C 1 Q76EI6 UNP 96 S +ATOM 761 C CB . SER A 1 96 ? 1.549 -0.503 2.945 1.00 98.19 ? 96 SER A CB 1 Q76EI6 UNP 96 S +ATOM 762 O O . SER A 1 96 ? 2.350 2.020 0.918 1.00 98.19 ? 96 SER A O 1 Q76EI6 UNP 96 S +ATOM 763 O OG . SER A 1 96 ? 2.031 -1.218 4.065 1.00 98.19 ? 96 SER A OG 1 Q76EI6 UNP 96 S +ATOM 764 N N . THR A 1 97 ? 0.311 2.259 1.812 1.00 98.19 ? 97 THR A N 1 Q76EI6 UNP 97 T +ATOM 765 C CA . THR A 1 97 ? -0.193 3.096 0.701 1.00 98.19 ? 97 THR A CA 1 Q76EI6 UNP 97 T +ATOM 766 C C . THR A 1 97 ? 0.626 4.378 0.528 1.00 98.19 ? 97 THR A C 1 Q76EI6 UNP 97 T +ATOM 767 C CB . THR A 1 97 ? -1.681 3.467 0.844 1.00 98.19 ? 97 THR A CB 1 Q76EI6 UNP 97 T +ATOM 768 O O . THR A 1 97 ? 1.036 4.711 -0.588 1.00 98.19 ? 97 THR A O 1 Q76EI6 UNP 97 T +ATOM 769 C CG2 . THR A 1 97 ? -2.600 2.251 0.888 1.00 98.19 ? 97 THR A CG2 1 Q76EI6 UNP 97 T +ATOM 770 O OG1 . THR A 1 97 ? -1.916 4.215 2.005 1.00 98.19 ? 97 THR A OG1 1 Q76EI6 UNP 97 T +ATOM 771 N N . TRP A 1 98 ? 0.941 5.076 1.621 1.00 98.38 ? 98 TRP A N 1 Q76EI6 UNP 98 W +ATOM 772 C CA . TRP A 1 98 ? 1.764 6.290 1.591 1.00 98.38 ? 98 TRP A CA 1 Q76EI6 UNP 98 W +ATOM 773 C C . TRP A 1 98 ? 3.213 6.014 1.192 1.00 98.38 ? 98 TRP A C 1 Q76EI6 UNP 98 W +ATOM 774 C CB . TRP A 1 98 ? 1.707 6.972 2.956 1.00 98.38 ? 98 TRP A CB 1 Q76EI6 UNP 98 W +ATOM 775 O O . TRP A 1 98 ? 3.798 6.764 0.404 1.00 98.38 ? 98 TRP A O 1 Q76EI6 UNP 98 W +ATOM 776 C CG . TRP A 1 98 ? 0.524 7.860 3.131 1.00 98.38 ? 98 TRP A CG 1 Q76EI6 UNP 98 W +ATOM 777 C CD1 . TRP A 1 98 ? -0.746 7.449 3.337 1.00 98.38 ? 98 TRP A CD1 1 Q76EI6 UNP 98 W +ATOM 778 C CD2 . TRP A 1 98 ? 0.482 9.318 3.109 1.00 98.38 ? 98 TRP A CD2 1 Q76EI6 UNP 98 W +ATOM 779 C CE2 . TRP A 1 98 ? -0.869 9.729 3.298 1.00 98.38 ? 98 TRP A CE2 1 Q76EI6 UNP 98 W +ATOM 780 C CE3 . TRP A 1 98 ? 1.447 10.337 2.956 1.00 98.38 ? 98 TRP A CE3 1 Q76EI6 UNP 98 W +ATOM 781 N NE1 . TRP A 1 98 ? -1.562 8.553 3.441 1.00 98.38 ? 98 TRP A NE1 1 Q76EI6 UNP 98 W +ATOM 782 C CH2 . TRP A 1 98 ? -0.270 12.065 3.178 1.00 98.38 ? 98 TRP A CH2 1 Q76EI6 UNP 98 W +ATOM 783 C CZ2 . TRP A 1 98 ? -1.254 11.074 3.331 1.00 98.38 ? 98 TRP A CZ2 1 Q76EI6 UNP 98 W +ATOM 784 C CZ3 . TRP A 1 98 ? 1.075 11.695 2.992 1.00 98.38 ? 98 TRP A CZ3 1 Q76EI6 UNP 98 W +ATOM 785 N N . LEU A 1 99 ? 3.796 4.919 1.678 1.00 98.56 ? 99 LEU A N 1 Q76EI6 UNP 99 L +ATOM 786 C CA . LEU A 1 99 ? 5.145 4.505 1.296 1.00 98.56 ? 99 LEU A CA 1 Q76EI6 UNP 99 L +ATOM 787 C C . LEU A 1 99 ? 5.215 4.148 -0.192 1.00 98.56 ? 99 LEU A C 1 Q76EI6 UNP 99 L +ATOM 788 C CB . LEU A 1 99 ? 5.585 3.341 2.195 1.00 98.56 ? 99 LEU A CB 1 Q76EI6 UNP 99 L +ATOM 789 O O . LEU A 1 99 ? 6.160 4.558 -0.869 1.00 98.56 ? 99 LEU A O 1 Q76EI6 UNP 99 L +ATOM 790 C CG . LEU A 1 99 ? 5.886 3.792 3.638 1.00 98.56 ? 99 LEU A CG 1 Q76EI6 UNP 99 L +ATOM 791 C CD1 . LEU A 1 99 ? 5.955 2.583 4.551 1.00 98.56 ? 99 LEU A CD1 1 Q76EI6 UNP 99 L +ATOM 792 C CD2 . LEU A 1 99 ? 7.230 4.523 3.732 1.00 98.56 ? 99 LEU A CD2 1 Q76EI6 UNP 99 L +ATOM 793 N N . LEU A 1 100 ? 4.202 3.473 -0.740 1.00 97.75 ? 100 LEU A N 1 Q76EI6 UNP 100 L +ATOM 794 C CA . LEU A 1 100 ? 4.101 3.190 -2.175 1.00 97.75 ? 100 LEU A CA 1 Q76EI6 UNP 100 L +ATOM 795 C C . LEU A 1 100 ? 3.990 4.469 -3.012 1.00 97.75 ? 100 LEU A C 1 Q76EI6 UNP 100 L +ATOM 796 C CB . LEU A 1 100 ? 2.896 2.277 -2.439 1.00 97.75 ? 100 LEU A CB 1 Q76EI6 UNP 100 L +ATOM 797 O O . LEU A 1 100 ? 4.642 4.568 -4.059 1.00 97.75 ? 100 LEU A O 1 Q76EI6 UNP 100 L +ATOM 798 C CG . LEU A 1 100 ? 3.087 0.829 -1.963 1.00 97.75 ? 100 LEU A CG 1 Q76EI6 UNP 100 L +ATOM 799 C CD1 . LEU A 1 100 ? 1.750 0.104 -2.040 1.00 97.75 ? 100 LEU A CD1 1 Q76EI6 UNP 100 L +ATOM 800 C CD2 . LEU A 1 100 ? 4.089 0.073 -2.827 1.00 97.75 ? 100 LEU A CD2 1 Q76EI6 UNP 100 L +ATOM 801 N N . ALA A 1 101 ? 3.235 5.470 -2.556 1.00 98.38 ? 101 ALA A N 1 Q76EI6 UNP 101 A +ATOM 802 C CA . ALA A 1 101 ? 3.194 6.781 -3.203 1.00 98.38 ? 101 ALA A CA 1 Q76EI6 UNP 101 A +ATOM 803 C C . ALA A 1 101 ? 4.570 7.461 -3.186 1.00 98.38 ? 101 ALA A C 1 Q76EI6 UNP 101 A +ATOM 804 C CB . ALA A 1 101 ? 2.103 7.634 -2.556 1.00 98.38 ? 101 ALA A CB 1 Q76EI6 UNP 101 A +ATOM 805 O O . ALA A 1 101 ? 5.056 7.886 -4.237 1.00 98.38 ? 101 ALA A O 1 Q76EI6 UNP 101 A +ATOM 806 N N . GLY A 1 102 ? 5.262 7.459 -2.044 1.00 98.31 ? 102 GLY A N 1 Q76EI6 UNP 102 G +ATOM 807 C CA . GLY A 1 102 ? 6.635 7.963 -1.934 1.00 98.31 ? 102 GLY A CA 1 Q76EI6 UNP 102 G +ATOM 808 C C . GLY A 1 102 ? 7.607 7.255 -2.883 1.00 98.31 ? 102 GLY A C 1 Q76EI6 UNP 102 G +ATOM 809 O O . GLY A 1 102 ? 8.390 7.901 -3.581 1.00 98.31 ? 102 GLY A O 1 Q76EI6 UNP 102 G +ATOM 810 N N . ILE A 1 103 ? 7.530 5.923 -2.981 1.00 97.19 ? 103 ILE A N 1 Q76EI6 UNP 103 I +ATOM 811 C CA . ILE A 1 103 ? 8.342 5.136 -3.922 1.00 97.19 ? 103 ILE A CA 1 Q76EI6 UNP 103 I +ATOM 812 C C . ILE A 1 103 ? 8.028 5.551 -5.362 1.00 97.19 ? 103 ILE A C 1 Q76EI6 UNP 103 I +ATOM 813 C CB . ILE A 1 103 ? 8.123 3.620 -3.699 1.00 97.19 ? 103 ILE A CB 1 Q76EI6 UNP 103 I +ATOM 814 O O . ILE A 1 103 ? 8.948 5.723 -6.160 1.00 97.19 ? 103 ILE A O 1 Q76EI6 UNP 103 I +ATOM 815 C CG1 . ILE A 1 103 ? 8.706 3.190 -2.335 1.00 97.19 ? 103 ILE A CG1 1 Q76EI6 UNP 103 I +ATOM 816 C CG2 . ILE A 1 103 ? 8.759 2.771 -4.821 1.00 97.19 ? 103 ILE A CG2 1 Q76EI6 UNP 103 I +ATOM 817 C CD1 . ILE A 1 103 ? 8.246 1.800 -1.881 1.00 97.19 ? 103 ILE A CD1 1 Q76EI6 UNP 103 I +ATOM 818 N N . SER A 1 104 ? 6.752 5.747 -5.694 1.00 98.00 ? 104 SER A N 1 Q76EI6 UNP 104 S +ATOM 819 C CA . SER A 1 104 ? 6.307 6.168 -7.029 1.00 98.00 ? 104 SER A CA 1 Q76EI6 UNP 104 S +ATOM 820 C C . SER A 1 104 ? 6.881 7.539 -7.407 1.00 98.00 ? 104 SER A C 1 Q76EI6 UNP 104 S +ATOM 821 C CB . SER A 1 104 ? 4.776 6.200 -7.103 1.00 98.00 ? 104 SER A CB 1 Q76EI6 UNP 104 S +ATOM 822 O O . SER A 1 104 ? 7.413 7.697 -8.510 1.00 98.00 ? 104 SER A O 1 Q76EI6 UNP 104 S +ATOM 823 O OG . SER A 1 104 ? 4.221 4.972 -6.670 1.00 98.00 ? 104 SER A OG 1 Q76EI6 UNP 104 S +ATOM 824 N N . ILE A 1 105 ? 6.860 8.497 -6.473 1.00 98.06 ? 105 ILE A N 1 Q76EI6 UNP 105 I +ATOM 825 C CA . ILE A 1 105 ? 7.473 9.825 -6.632 1.00 98.06 ? 105 ILE A CA 1 Q76EI6 UNP 105 I +ATOM 826 C C . ILE A 1 105 ? 8.975 9.691 -6.897 1.00 98.06 ? 105 ILE A C 1 Q76EI6 UNP 105 I +ATOM 827 C CB . ILE A 1 105 ? 7.194 10.711 -5.393 1.00 98.06 ? 105 ILE A CB 1 Q76EI6 UNP 105 I +ATOM 828 O O . ILE A 1 105 ? 9.474 10.226 -7.885 1.00 98.06 ? 105 ILE A O 1 Q76EI6 UNP 105 I +ATOM 829 C CG1 . ILE A 1 105 ? 5.691 11.052 -5.277 1.00 98.06 ? 105 ILE A CG1 1 Q76EI6 UNP 105 I +ATOM 830 C CG2 . ILE A 1 105 ? 8.021 12.012 -5.451 1.00 98.06 ? 105 ILE A CG2 1 Q76EI6 UNP 105 I +ATOM 831 C CD1 . ILE A 1 105 ? 5.317 11.631 -3.904 1.00 98.06 ? 105 ILE A CD1 1 Q76EI6 UNP 105 I +ATOM 832 N N . GLU A 1 106 ? 9.699 8.927 -6.078 1.00 96.31 ? 106 GLU A N 1 Q76EI6 UNP 106 E +ATOM 833 C CA . GLU A 1 106 ? 11.146 8.726 -6.241 1.00 96.31 ? 106 GLU A CA 1 Q76EI6 UNP 106 E +ATOM 834 C C . GLU A 1 106 ? 11.505 8.101 -7.597 1.00 96.31 ? 106 GLU A C 1 Q76EI6 UNP 106 E +ATOM 835 C CB . GLU A 1 106 ? 11.662 7.825 -5.108 1.00 96.31 ? 106 GLU A CB 1 Q76EI6 UNP 106 E +ATOM 836 O O . GLU A 1 106 ? 12.498 8.477 -8.229 1.00 96.31 ? 106 GLU A O 1 Q76EI6 UNP 106 E +ATOM 837 C CG . GLU A 1 106 ? 11.790 8.561 -3.768 1.00 96.31 ? 106 GLU A CG 1 Q76EI6 UNP 106 E +ATOM 838 C CD . GLU A 1 106 ? 12.838 9.675 -3.834 1.00 96.31 ? 106 GLU A CD 1 Q76EI6 UNP 106 E +ATOM 839 O OE1 . GLU A 1 106 ? 12.570 10.798 -3.371 1.00 96.31 ? 106 GLU A OE1 1 Q76EI6 UNP 106 E +ATOM 840 O OE2 . GLU A 1 106 ? 13.951 9.380 -4.332 1.00 96.31 ? 106 GLU A OE2 1 Q76EI6 UNP 106 E +ATOM 841 N N . ARG A 1 107 ? 10.690 7.157 -8.087 1.00 95.50 ? 107 ARG A N 1 Q76EI6 UNP 107 R +ATOM 842 C CA . ARG A 1 107 ? 10.875 6.561 -9.419 1.00 95.50 ? 107 ARG A CA 1 Q76EI6 UNP 107 R +ATOM 843 C C . ARG A 1 107 ? 10.655 7.573 -10.529 1.00 95.50 ? 107 ARG A C 1 Q76EI6 UNP 107 R +ATOM 844 C CB . ARG A 1 107 ? 9.952 5.344 -9.609 1.00 95.50 ? 107 ARG A CB 1 Q76EI6 UNP 107 R +ATOM 845 O O . ARG A 1 107 ? 11.457 7.607 -11.463 1.00 95.50 ? 107 ARG A O 1 Q76EI6 UNP 107 R +ATOM 846 C CG . ARG A 1 107 ? 10.290 4.149 -8.709 1.00 95.50 ? 107 ARG A CG 1 Q76EI6 UNP 107 R +ATOM 847 C CD . ARG A 1 107 ? 11.726 3.668 -8.896 1.00 95.50 ? 107 ARG A CD 1 Q76EI6 UNP 107 R +ATOM 848 N NE . ARG A 1 107 ? 12.049 2.575 -7.966 1.00 95.50 ? 107 ARG A NE 1 Q76EI6 UNP 107 R +ATOM 849 N NH1 . ARG A 1 107 ? 14.314 2.603 -8.315 1.00 95.50 ? 107 ARG A NH1 1 Q76EI6 UNP 107 R +ATOM 850 N NH2 . ARG A 1 107 ? 13.445 1.113 -6.930 1.00 95.50 ? 107 ARG A NH2 1 Q76EI6 UNP 107 R +ATOM 851 C CZ . ARG A 1 107 ? 13.257 2.104 -7.740 1.00 95.50 ? 107 ARG A CZ 1 Q76EI6 UNP 107 R +ATOM 852 N N . TYR A 1 108 ? 9.612 8.389 -10.420 1.00 97.31 ? 108 TYR A N 1 Q76EI6 UNP 108 Y +ATOM 853 C CA . TYR A 1 108 ? 9.330 9.451 -11.375 1.00 97.31 ? 108 TYR A CA 1 Q76EI6 UNP 108 Y +ATOM 854 C C . TYR A 1 108 ? 10.445 10.506 -11.399 1.00 97.31 ? 108 TYR A C 1 Q76EI6 UNP 108 Y +ATOM 855 C CB . TYR A 1 108 ? 7.961 10.061 -11.058 1.00 97.31 ? 108 TYR A CB 1 Q76EI6 UNP 108 Y +ATOM 856 O O . TYR A 1 108 ? 11.014 10.762 -12.460 1.00 97.31 ? 108 TYR A O 1 Q76EI6 UNP 108 Y +ATOM 857 C CG . TYR A 1 108 ? 7.691 11.344 -11.814 1.00 97.31 ? 108 TYR A CG 1 Q76EI6 UNP 108 Y +ATOM 858 C CD1 . TYR A 1 108 ? 7.427 12.535 -11.108 1.00 97.31 ? 108 TYR A CD1 1 Q76EI6 UNP 108 Y +ATOM 859 C CD2 . TYR A 1 108 ? 7.771 11.360 -13.220 1.00 97.31 ? 108 TYR A CD2 1 Q76EI6 UNP 108 Y +ATOM 860 C CE1 . TYR A 1 108 ? 7.223 13.740 -11.808 1.00 97.31 ? 108 TYR A CE1 1 Q76EI6 UNP 108 Y +ATOM 861 C CE2 . TYR A 1 108 ? 7.589 12.567 -13.918 1.00 97.31 ? 108 TYR A CE2 1 Q76EI6 UNP 108 Y +ATOM 862 O OH . TYR A 1 108 ? 7.100 14.901 -13.916 1.00 97.31 ? 108 TYR A OH 1 Q76EI6 UNP 108 Y +ATOM 863 C CZ . TYR A 1 108 ? 7.302 13.754 -13.217 1.00 97.31 ? 108 TYR A CZ 1 Q76EI6 UNP 108 Y +ATOM 864 N N . LEU A 1 109 ? 10.833 11.057 -10.245 1.00 96.75 ? 109 LEU A N 1 Q76EI6 UNP 109 L +ATOM 865 C CA . LEU A 1 109 ? 11.882 12.080 -10.154 1.00 96.75 ? 109 LEU A CA 1 Q76EI6 UNP 109 L +ATOM 866 C C . LEU A 1 109 ? 13.225 11.575 -10.695 1.00 96.75 ? 109 LEU A C 1 Q76EI6 UNP 109 L +ATOM 867 C CB . LEU A 1 109 ? 12.036 12.539 -8.693 1.00 96.75 ? 109 LEU A CB 1 Q76EI6 UNP 109 L +ATOM 868 O O . LEU A 1 109 ? 13.906 12.289 -11.432 1.00 96.75 ? 109 LEU A O 1 Q76EI6 UNP 109 L +ATOM 869 C CG . LEU A 1 109 ? 10.835 13.308 -8.112 1.00 96.75 ? 109 LEU A CG 1 Q76EI6 UNP 109 L +ATOM 870 C CD1 . LEU A 1 109 ? 11.135 13.671 -6.659 1.00 96.75 ? 109 LEU A CD1 1 Q76EI6 UNP 109 L +ATOM 871 C CD2 . LEU A 1 109 ? 10.536 14.595 -8.885 1.00 96.75 ? 109 LEU A CD2 1 Q76EI6 UNP 109 L +ATOM 872 N N . GLY A 1 110 ? 13.570 10.317 -10.407 1.00 95.06 ? 110 GLY A N 1 Q76EI6 UNP 110 G +ATOM 873 C CA . GLY A 1 110 ? 14.804 9.698 -10.883 1.00 95.06 ? 110 GLY A CA 1 Q76EI6 UNP 110 G +ATOM 874 C C . GLY A 1 110 ? 14.900 9.531 -12.405 1.00 95.06 ? 110 GLY A C 1 Q76EI6 UNP 110 G +ATOM 875 O O . GLY A 1 110 ? 16.011 9.362 -12.911 1.00 95.06 ? 110 GLY A O 1 Q76EI6 UNP 110 G +ATOM 876 N N . VAL A 1 111 ? 13.780 9.568 -13.140 1.00 94.75 ? 111 VAL A N 1 Q76EI6 UNP 111 V +ATOM 877 C CA . VAL A 1 111 ? 13.776 9.498 -14.617 1.00 94.75 ? 111 VAL A CA 1 Q76EI6 UNP 111 V +ATOM 878 C C . VAL A 1 111 ? 13.443 10.819 -15.290 1.00 94.75 ? 111 VAL A C 1 Q76EI6 UNP 111 V +ATOM 879 C CB . VAL A 1 111 ? 12.845 8.411 -15.174 1.00 94.75 ? 111 VAL A CB 1 Q76EI6 UNP 111 V +ATOM 880 O O . VAL A 1 111 ? 13.943 11.068 -16.380 1.00 94.75 ? 111 VAL A O 1 Q76EI6 UNP 111 V +ATOM 881 C CG1 . VAL A 1 111 ? 13.211 7.042 -14.605 1.00 94.75 ? 111 VAL A CG1 1 Q76EI6 UNP 111 V +ATOM 882 C CG2 . VAL A 1 111 ? 11.352 8.663 -14.949 1.00 94.75 ? 111 VAL A CG2 1 Q76EI6 UNP 111 V +ATOM 883 N N . ALA A 1 112 ? 12.613 11.653 -14.665 1.00 96.25 ? 112 ALA A N 1 Q76EI6 UNP 112 A +ATOM 884 C CA . ALA A 1 112 ? 12.214 12.940 -15.216 1.00 96.25 ? 112 ALA A CA 1 Q76EI6 UNP 112 A +ATOM 885 C C . ALA A 1 112 ? 13.330 13.982 -15.093 1.00 96.25 ? 112 ALA A C 1 Q76EI6 UNP 112 A +ATOM 886 C CB . ALA A 1 112 ? 10.928 13.373 -14.508 1.00 96.25 ? 112 ALA A CB 1 Q76EI6 UNP 112 A +ATOM 887 O O . ALA A 1 112 ? 13.490 14.812 -15.981 1.00 96.25 ? 112 ALA A O 1 Q76EI6 UNP 112 A +ATOM 888 N N . PHE A 1 113 ? 14.138 13.898 -14.030 1.00 95.44 ? 113 PHE A N 1 Q76EI6 UNP 113 F +ATOM 889 C CA . PHE A 1 113 ? 15.176 14.881 -13.719 1.00 95.44 ? 113 PHE A CA 1 Q76EI6 UNP 113 F +ATOM 890 C C . PHE A 1 113 ? 16.522 14.208 -13.400 1.00 95.44 ? 113 PHE A C 1 Q76EI6 UNP 113 F +ATOM 891 C CB . PHE A 1 113 ? 14.674 15.775 -12.574 1.00 95.44 ? 113 PHE A CB 1 Q76EI6 UNP 113 F +ATOM 892 O O . PHE A 1 113 ? 17.068 14.416 -12.320 1.00 95.44 ? 113 PHE A O 1 Q76EI6 UNP 113 F +ATOM 893 C CG . PHE A 1 113 ? 13.310 16.384 -12.818 1.00 95.44 ? 113 PHE A CG 1 Q76EI6 UNP 113 F +ATOM 894 C CD1 . PHE A 1 113 ? 13.162 17.440 -13.735 1.00 95.44 ? 113 PHE A CD1 1 Q76EI6 UNP 113 F +ATOM 895 C CD2 . PHE A 1 113 ? 12.182 15.873 -12.149 1.00 95.44 ? 113 PHE A CD2 1 Q76EI6 UNP 113 F +ATOM 896 C CE1 . PHE A 1 113 ? 11.890 17.981 -13.984 1.00 95.44 ? 113 PHE A CE1 1 Q76EI6 UNP 113 F +ATOM 897 C CE2 . PHE A 1 113 ? 10.909 16.415 -12.397 1.00 95.44 ? 113 PHE A CE2 1 Q76EI6 UNP 113 F +ATOM 898 C CZ . PHE A 1 113 ? 10.764 17.470 -13.315 1.00 95.44 ? 113 PHE A CZ 1 Q76EI6 UNP 113 F +ATOM 899 N N . PRO A 1 114 ? 17.105 13.387 -14.295 1.00 92.88 ? 114 PRO A N 1 Q76EI6 UNP 114 P +ATOM 900 C CA . PRO A 1 114 ? 18.219 12.496 -13.954 1.00 92.88 ? 114 PRO A CA 1 Q76EI6 UNP 114 P +ATOM 901 C C . PRO A 1 114 ? 19.463 13.222 -13.415 1.00 92.88 ? 114 PRO A C 1 Q76EI6 UNP 114 P +ATOM 902 C CB . PRO A 1 114 ? 18.521 11.726 -15.246 1.00 92.88 ? 114 PRO A CB 1 Q76EI6 UNP 114 P +ATOM 903 O O . PRO A 1 114 ? 20.091 12.740 -12.471 1.00 92.88 ? 114 PRO A O 1 Q76EI6 UNP 114 P +ATOM 904 C CG . PRO A 1 114 ? 17.979 12.629 -16.357 1.00 92.88 ? 114 PRO A CG 1 Q76EI6 UNP 114 P +ATOM 905 C CD . PRO A 1 114 ? 16.756 13.263 -15.702 1.00 92.88 ? 114 PRO A CD 1 Q76EI6 UNP 114 P +ATOM 906 N N . VAL A 1 115 ? 19.813 14.384 -13.982 1.00 94.00 ? 115 VAL A N 1 Q76EI6 UNP 115 V +ATOM 907 C CA . VAL A 1 115 ? 20.980 15.179 -13.555 1.00 94.00 ? 115 VAL A CA 1 Q76EI6 UNP 115 V +ATOM 908 C C . VAL A 1 115 ? 20.714 15.853 -12.208 1.00 94.00 ? 115 VAL A C 1 Q76EI6 UNP 115 V +ATOM 909 C CB . VAL A 1 115 ? 21.381 16.214 -14.629 1.00 94.00 ? 115 VAL A CB 1 Q76EI6 UNP 115 V +ATOM 910 O O . VAL A 1 115 ? 21.459 15.638 -11.254 1.00 94.00 ? 115 VAL A O 1 Q76EI6 UNP 115 V +ATOM 911 C CG1 . VAL A 1 115 ? 22.605 17.031 -14.200 1.00 94.00 ? 115 VAL A CG1 1 Q76EI6 UNP 115 V +ATOM 912 C CG2 . VAL A 1 115 ? 21.714 15.526 -15.960 1.00 94.00 ? 115 VAL A CG2 1 Q76EI6 UNP 115 V +ATOM 913 N N . GLN A 1 116 ? 19.618 16.611 -12.105 1.00 94.06 ? 116 GLN A N 1 Q76EI6 UNP 116 Q +ATOM 914 C CA . GLN A 1 116 ? 19.241 17.332 -10.884 1.00 94.06 ? 116 GLN A CA 1 Q76EI6 UNP 116 Q +ATOM 915 C C . GLN A 1 116 ? 18.980 16.375 -9.718 1.00 94.06 ? 116 GLN A C 1 Q76EI6 UNP 116 Q +ATOM 916 C CB . GLN A 1 116 ? 17.977 18.157 -11.148 1.00 94.06 ? 116 GLN A CB 1 Q76EI6 UNP 116 Q +ATOM 917 O O . GLN A 1 116 ? 19.475 16.597 -8.615 1.00 94.06 ? 116 GLN A O 1 Q76EI6 UNP 116 Q +ATOM 918 C CG . GLN A 1 116 ? 18.190 19.319 -12.130 1.00 94.06 ? 116 GLN A CG 1 Q76EI6 UNP 116 Q +ATOM 919 C CD . GLN A 1 116 ? 16.874 20.007 -12.486 1.00 94.06 ? 116 GLN A CD 1 Q76EI6 UNP 116 Q +ATOM 920 N NE2 . GLN A 1 116 ? 16.896 21.265 -12.863 1.00 94.06 ? 116 GLN A NE2 1 Q76EI6 UNP 116 Q +ATOM 921 O OE1 . GLN A 1 116 ? 15.811 19.414 -12.457 1.00 94.06 ? 116 GLN A OE1 1 Q76EI6 UNP 116 Q +ATOM 922 N N . TYR A 1 117 ? 18.270 15.272 -9.970 1.00 93.25 ? 117 TYR A N 1 Q76EI6 UNP 117 Y +ATOM 923 C CA . TYR A 1 117 ? 18.035 14.231 -8.980 1.00 93.25 ? 117 TYR A CA 1 Q76EI6 UNP 117 Y +ATOM 924 C C . TYR A 1 117 ? 19.361 13.642 -8.505 1.00 93.25 ? 117 TYR A C 1 Q76EI6 UNP 117 Y +ATOM 925 C CB . TYR A 1 117 ? 17.099 13.149 -9.539 1.00 93.25 ? 117 TYR A CB 1 Q76EI6 UNP 117 Y +ATOM 926 O O . TYR A 1 117 ? 19.571 13.565 -7.305 1.00 93.25 ? 117 TYR A O 1 Q76EI6 UNP 117 Y +ATOM 927 C CG . TYR A 1 117 ? 16.776 12.053 -8.542 1.00 93.25 ? 117 TYR A CG 1 Q76EI6 UNP 117 Y +ATOM 928 C CD1 . TYR A 1 117 ? 17.523 10.859 -8.548 1.00 93.25 ? 117 TYR A CD1 1 Q76EI6 UNP 117 Y +ATOM 929 C CD2 . TYR A 1 117 ? 15.743 12.232 -7.599 1.00 93.25 ? 117 TYR A CD2 1 Q76EI6 UNP 117 Y +ATOM 930 C CE1 . TYR A 1 117 ? 17.243 9.851 -7.610 1.00 93.25 ? 117 TYR A CE1 1 Q76EI6 UNP 117 Y +ATOM 931 C CE2 . TYR A 1 117 ? 15.457 11.220 -6.659 1.00 93.25 ? 117 TYR A CE2 1 Q76EI6 UNP 117 Y +ATOM 932 O OH . TYR A 1 117 ? 15.997 9.037 -5.761 1.00 93.25 ? 117 TYR A OH 1 Q76EI6 UNP 117 Y +ATOM 933 C CZ . TYR A 1 117 ? 16.215 10.029 -6.663 1.00 93.25 ? 117 TYR A CZ 1 Q76EI6 UNP 117 Y +ATOM 934 N N . LYS A 1 118 ? 20.306 13.295 -9.395 1.00 92.19 ? 118 LYS A N 1 Q76EI6 UNP 118 K +ATOM 935 C CA . LYS A 1 118 ? 21.617 12.756 -8.982 1.00 92.19 ? 118 LYS A CA 1 Q76EI6 UNP 118 K +ATOM 936 C C . LYS A 1 118 ? 22.409 13.733 -8.105 1.00 92.19 ? 118 LYS A C 1 Q76EI6 UNP 118 K +ATOM 937 C CB . LYS A 1 118 ? 22.418 12.328 -10.223 1.00 92.19 ? 118 LYS A CB 1 Q76EI6 UNP 118 K +ATOM 938 O O . LYS A 1 118 ? 23.014 13.281 -7.137 1.00 92.19 ? 118 LYS A O 1 Q76EI6 UNP 118 K +ATOM 939 C CG . LYS A 1 118 ? 23.750 11.641 -9.867 1.00 92.19 ? 118 LYS A CG 1 Q76EI6 UNP 118 K +ATOM 940 C CD . LYS A 1 118 ? 24.525 11.241 -11.130 1.00 92.19 ? 118 LYS A CD 1 Q76EI6 UNP 118 K +ATOM 941 C CE . LYS A 1 118 ? 25.885 10.632 -10.754 1.00 92.19 ? 118 LYS A CE 1 Q76EI6 UNP 118 K +ATOM 942 N NZ . LYS A 1 118 ? 26.755 10.422 -11.944 1.00 92.19 ? 118 LYS A NZ 1 Q76EI6 UNP 118 K +ATOM 943 N N . LEU A 1 119 ? 22.398 15.027 -8.431 1.00 93.25 ? 119 LEU A N 1 Q76EI6 UNP 119 L +ATOM 944 C CA . LEU A 1 119 ? 23.120 16.066 -7.684 1.00 93.25 ? 119 LEU A CA 1 Q76EI6 UNP 119 L +ATOM 945 C C . LEU A 1 119 ? 22.462 16.401 -6.337 1.00 93.25 ? 119 LEU A C 1 Q76EI6 UNP 119 L +ATOM 946 C CB . LEU A 1 119 ? 23.222 17.330 -8.558 1.00 93.25 ? 119 LEU A CB 1 Q76EI6 UNP 119 L +ATOM 947 O O . LEU A 1 119 ? 23.159 16.652 -5.359 1.00 93.25 ? 119 LEU A O 1 Q76EI6 UNP 119 L +ATOM 948 C CG . LEU A 1 119 ? 24.133 17.188 -9.793 1.00 93.25 ? 119 LEU A CG 1 Q76EI6 UNP 119 L +ATOM 949 C CD1 . LEU A 1 119 ? 24.002 18.433 -10.669 1.00 93.25 ? 119 LEU A CD1 1 Q76EI6 UNP 119 L +ATOM 950 C CD2 . LEU A 1 119 ? 25.604 17.014 -9.410 1.00 93.25 ? 119 LEU A CD2 1 Q76EI6 UNP 119 L +ATOM 951 N N . SER A 1 120 ? 21.130 16.376 -6.273 1.00 92.12 ? 120 SER A N 1 Q76EI6 UNP 120 S +ATOM 952 C CA . SER A 1 120 ? 20.361 16.739 -5.075 1.00 92.12 ? 120 SER A CA 1 Q76EI6 UNP 120 S +ATOM 953 C C . SER A 1 120 ? 19.974 15.530 -4.210 1.00 92.12 ? 120 SER A C 1 Q76EI6 UNP 120 S +ATOM 954 C CB . SER A 1 120 ? 19.139 17.559 -5.499 1.00 92.12 ? 120 SER A CB 1 Q76EI6 UNP 120 S +ATOM 955 O O . SER A 1 120 ? 19.460 15.690 -3.108 1.00 92.12 ? 120 SER A O 1 Q76EI6 UNP 120 S +ATOM 956 O OG . SER A 1 120 ? 18.610 18.256 -4.392 1.00 92.12 ? 120 SER A OG 1 Q76EI6 UNP 120 S +ATOM 957 N N . ARG A 1 121 ? 20.226 14.294 -4.662 1.00 91.81 ? 121 ARG A N 1 Q76EI6 UNP 121 R +ATOM 958 C CA . ARG A 1 121 ? 19.812 13.066 -3.964 1.00 91.81 ? 121 ARG A CA 1 Q76EI6 UNP 121 R +ATOM 959 C C . ARG A 1 121 ? 20.404 12.990 -2.557 1.00 91.81 ? 121 ARG A C 1 Q76EI6 UNP 121 R +ATOM 960 C CB . ARG A 1 121 ? 20.217 11.828 -4.778 1.00 91.81 ? 121 ARG A CB 1 Q76EI6 UNP 121 R +ATOM 961 O O . ARG A 1 121 ? 21.575 12.648 -2.388 1.00 91.81 ? 121 ARG A O 1 Q76EI6 UNP 121 R +ATOM 962 C CG . ARG A 1 121 ? 19.683 10.531 -4.165 1.00 91.81 ? 121 ARG A CG 1 Q76EI6 UNP 121 R +ATOM 963 C CD . ARG A 1 121 ? 20.167 9.335 -4.984 1.00 91.81 ? 121 ARG A CD 1 Q76EI6 UNP 121 R +ATOM 964 N NE . ARG A 1 121 ? 21.607 9.093 -4.765 1.00 91.81 ? 121 ARG A NE 1 Q76EI6 UNP 121 R +ATOM 965 N NH1 . ARG A 1 121 ? 21.936 7.596 -6.463 1.00 91.81 ? 121 ARG A NH1 1 Q76EI6 UNP 121 R +ATOM 966 N NH2 . ARG A 1 121 ? 23.646 8.155 -5.128 1.00 91.81 ? 121 ARG A NH2 1 Q76EI6 UNP 121 R +ATOM 967 C CZ . ARG A 1 121 ? 22.390 8.285 -5.451 1.00 91.81 ? 121 ARG A CZ 1 Q76EI6 UNP 121 R +ATOM 968 N N . ARG A 1 122 ? 19.554 13.166 -1.544 1.00 95.00 ? 122 ARG A N 1 Q76EI6 UNP 122 R +ATOM 969 C CA . ARG A 1 122 ? 19.909 13.002 -0.128 1.00 95.00 ? 122 ARG A CA 1 Q76EI6 UNP 122 R +ATOM 970 C C . ARG A 1 122 ? 19.064 11.913 0.531 1.00 95.00 ? 122 ARG A C 1 Q76EI6 UNP 122 R +ATOM 971 C CB . ARG A 1 122 ? 19.743 14.333 0.613 1.00 95.00 ? 122 ARG A CB 1 Q76EI6 UNP 122 R +ATOM 972 O O . ARG A 1 122 ? 17.845 11.964 0.397 1.00 95.00 ? 122 ARG A O 1 Q76EI6 UNP 122 R +ATOM 973 C CG . ARG A 1 122 ? 20.760 15.370 0.123 1.00 95.00 ? 122 ARG A CG 1 Q76EI6 UNP 122 R +ATOM 974 C CD . ARG A 1 122 ? 20.643 16.666 0.921 1.00 95.00 ? 122 ARG A CD 1 Q76EI6 UNP 122 R +ATOM 975 N NE . ARG A 1 122 ? 21.505 17.710 0.339 1.00 95.00 ? 122 ARG A NE 1 Q76EI6 UNP 122 R +ATOM 976 N NH1 . ARG A 1 122 ? 22.226 18.711 2.285 1.00 95.00 ? 122 ARG A NH1 1 Q76EI6 UNP 122 R +ATOM 977 N NH2 . ARG A 1 122 ? 22.896 19.507 0.316 1.00 95.00 ? 122 ARG A NH2 1 Q76EI6 UNP 122 R +ATOM 978 C CZ . ARG A 1 122 ? 22.202 18.631 0.983 1.00 95.00 ? 122 ARG A CZ 1 Q76EI6 UNP 122 R +ATOM 979 N N . PRO A 1 123 ? 19.666 10.993 1.312 1.00 96.19 ? 123 PRO A N 1 Q76EI6 UNP 123 P +ATOM 980 C CA . PRO A 1 123 ? 18.929 9.996 2.098 1.00 96.19 ? 123 PRO A CA 1 Q76EI6 UNP 123 P +ATOM 981 C C . PRO A 1 123 ? 17.800 10.601 2.948 1.00 96.19 ? 123 PRO A C 1 Q76EI6 UNP 123 P +ATOM 982 C CB . PRO A 1 123 ? 19.985 9.350 3.004 1.00 96.19 ? 123 PRO A CB 1 Q76EI6 UNP 123 P +ATOM 983 O O . PRO A 1 123 ? 16.747 9.990 3.108 1.00 96.19 ? 123 PRO A O 1 Q76EI6 UNP 123 P +ATOM 984 C CG . PRO A 1 123 ? 21.306 9.548 2.270 1.00 96.19 ? 123 PRO A CG 1 Q76EI6 UNP 123 P +ATOM 985 C CD . PRO A 1 123 ? 21.102 10.857 1.520 1.00 96.19 ? 123 PRO A CD 1 Q76EI6 UNP 123 P +ATOM 986 N N . LEU A 1 124 ? 18.006 11.832 3.432 1.00 96.81 ? 124 LEU A N 1 Q76EI6 UNP 124 L +ATOM 987 C CA . LEU A 1 124 ? 17.058 12.590 4.244 1.00 96.81 ? 124 LEU A CA 1 Q76EI6 UNP 124 L +ATOM 988 C C . LEU A 1 124 ? 15.653 12.679 3.626 1.00 96.81 ? 124 LEU A C 1 Q76EI6 UNP 124 L +ATOM 989 C CB . LEU A 1 124 ? 17.654 13.991 4.477 1.00 96.81 ? 124 LEU A CB 1 Q76EI6 UNP 124 L +ATOM 990 O O . LEU A 1 124 ? 14.680 12.566 4.359 1.00 96.81 ? 124 LEU A O 1 Q76EI6 UNP 124 L +ATOM 991 C CG . LEU A 1 124 ? 16.788 14.912 5.359 1.00 96.81 ? 124 LEU A CG 1 Q76EI6 UNP 124 L +ATOM 992 C CD1 . LEU A 1 124 ? 16.572 14.340 6.760 1.00 96.81 ? 124 LEU A CD1 1 Q76EI6 UNP 124 L +ATOM 993 C CD2 . LEU A 1 124 ? 17.469 16.274 5.485 1.00 96.81 ? 124 LEU A CD2 1 Q76EI6 UNP 124 L +ATOM 994 N N . TYR A 1 125 ? 15.521 12.807 2.302 1.00 97.19 ? 125 TYR A N 1 Q76EI6 UNP 125 Y +ATOM 995 C CA . TYR A 1 125 ? 14.199 12.869 1.665 1.00 97.19 ? 125 TYR A CA 1 Q76EI6 UNP 125 Y +ATOM 996 C C . TYR A 1 125 ? 13.397 11.578 1.857 1.00 97.19 ? 125 TYR A C 1 Q76EI6 UNP 125 Y +ATOM 997 C CB . TYR A 1 125 ? 14.356 13.197 0.174 1.00 97.19 ? 125 TYR A CB 1 Q76EI6 UNP 125 Y +ATOM 998 O O . TYR A 1 125 ? 12.197 11.629 2.108 1.00 97.19 ? 125 TYR A O 1 Q76EI6 UNP 125 Y +ATOM 999 C CG . TYR A 1 125 ? 15.064 14.507 -0.126 1.00 97.19 ? 125 TYR A CG 1 Q76EI6 UNP 125 Y +ATOM 1000 C CD1 . TYR A 1 125 ? 14.803 15.659 0.648 1.00 97.19 ? 125 TYR A CD1 1 Q76EI6 UNP 125 Y +ATOM 1001 C CD2 . TYR A 1 125 ? 15.948 14.587 -1.219 1.00 97.19 ? 125 TYR A CD2 1 Q76EI6 UNP 125 Y +ATOM 1002 C CE1 . TYR A 1 125 ? 15.439 16.877 0.350 1.00 97.19 ? 125 TYR A CE1 1 Q76EI6 UNP 125 Y +ATOM 1003 C CE2 . TYR A 1 125 ? 16.574 15.809 -1.527 1.00 97.19 ? 125 TYR A CE2 1 Q76EI6 UNP 125 Y +ATOM 1004 O OH . TYR A 1 125 ? 16.936 18.128 -1.044 1.00 97.19 ? 125 TYR A OH 1 Q76EI6 UNP 125 Y +ATOM 1005 C CZ . TYR A 1 125 ? 16.328 16.953 -0.741 1.00 97.19 ? 125 TYR A CZ 1 Q76EI6 UNP 125 Y +ATOM 1006 N N . GLY A 1 126 ? 14.071 10.425 1.834 1.00 98.00 ? 126 GLY A N 1 Q76EI6 UNP 126 G +ATOM 1007 C CA . GLY A 1 126 ? 13.439 9.135 2.111 1.00 98.00 ? 126 GLY A CA 1 Q76EI6 UNP 126 G +ATOM 1008 C C . GLY A 1 126 ? 13.038 8.993 3.577 1.00 98.00 ? 126 GLY A C 1 Q76EI6 UNP 126 G +ATOM 1009 O O . GLY A 1 126 ? 11.994 8.420 3.865 1.00 98.00 ? 126 GLY A O 1 Q76EI6 UNP 126 G +ATOM 1010 N N . VAL A 1 127 ? 13.836 9.550 4.497 1.00 98.38 ? 127 VAL A N 1 Q76EI6 UNP 127 V +ATOM 1011 C CA . VAL A 1 127 ? 13.509 9.583 5.934 1.00 98.38 ? 127 VAL A CA 1 Q76EI6 UNP 127 V +ATOM 1012 C C . VAL A 1 127 ? 12.289 10.461 6.190 1.00 98.38 ? 127 VAL A C 1 Q76EI6 UNP 127 V +ATOM 1013 C CB . VAL A 1 127 ? 14.699 10.068 6.788 1.00 98.38 ? 127 VAL A CB 1 Q76EI6 UNP 127 V +ATOM 1014 O O . VAL A 1 127 ? 11.361 10.012 6.850 1.00 98.38 ? 127 VAL A O 1 Q76EI6 UNP 127 V +ATOM 1015 C CG1 . VAL A 1 127 ? 14.354 10.109 8.281 1.00 98.38 ? 127 VAL A CG1 1 Q76EI6 UNP 127 V +ATOM 1016 C CG2 . VAL A 1 127 ? 15.918 9.155 6.614 1.00 98.38 ? 127 VAL A CG2 1 Q76EI6 UNP 127 V +ATOM 1017 N N . ILE A 1 128 ? 12.256 11.677 5.638 1.00 98.50 ? 128 ILE A N 1 Q76EI6 UNP 128 I +ATOM 1018 C CA . ILE A 1 128 ? 11.123 12.600 5.794 1.00 98.50 ? 128 ILE A CA 1 Q76EI6 UNP 128 I +ATOM 1019 C C . ILE A 1 128 ? 9.844 11.966 5.243 1.00 98.50 ? 128 ILE A C 1 Q76EI6 UNP 128 I +ATOM 1020 C CB . ILE A 1 128 ? 11.426 13.961 5.124 1.00 98.50 ? 128 ILE A CB 1 Q76EI6 UNP 128 I +ATOM 1021 O O . ILE A 1 128 ? 8.840 11.919 5.944 1.00 98.50 ? 128 ILE A O 1 Q76EI6 UNP 128 I +ATOM 1022 C CG1 . ILE A 1 128 ? 12.550 14.694 5.892 1.00 98.50 ? 128 ILE A CG1 1 Q76EI6 UNP 128 I +ATOM 1023 C CG2 . ILE A 1 128 ? 10.164 14.846 5.069 1.00 98.50 ? 128 ILE A CG2 1 Q76EI6 UNP 128 I +ATOM 1024 C CD1 . ILE A 1 128 ? 13.101 15.926 5.160 1.00 98.50 ? 128 ILE A CD1 1 Q76EI6 UNP 128 I +ATOM 1025 N N . ALA A 1 129 ? 9.884 11.423 4.023 1.00 98.50 ? 129 ALA A N 1 Q76EI6 UNP 129 A +ATOM 1026 C CA . ALA A 1 129 ? 8.720 10.780 3.420 1.00 98.50 ? 129 ALA A CA 1 Q76EI6 UNP 129 A +ATOM 1027 C C . ALA A 1 129 ? 8.236 9.560 4.228 1.00 98.50 ? 129 ALA A C 1 Q76EI6 UNP 129 A +ATOM 1028 C CB . ALA A 1 129 ? 9.075 10.425 1.974 1.00 98.50 ? 129 ALA A CB 1 Q76EI6 UNP 129 A +ATOM 1029 O O . ALA A 1 129 ? 7.032 9.383 4.397 1.00 98.50 ? 129 ALA A O 1 Q76EI6 UNP 129 A +ATOM 1030 N N . ALA A 1 130 ? 9.153 8.757 4.781 1.00 98.75 ? 130 ALA A N 1 Q76EI6 UNP 130 A +ATOM 1031 C CA . ALA A 1 130 ? 8.785 7.667 5.680 1.00 98.75 ? 130 ALA A CA 1 Q76EI6 UNP 130 A +ATOM 1032 C C . ALA A 1 130 ? 8.133 8.185 6.970 1.00 98.75 ? 130 ALA A C 1 Q76EI6 UNP 130 A +ATOM 1033 C CB . ALA A 1 130 ? 10.022 6.817 5.981 1.00 98.75 ? 130 ALA A CB 1 Q76EI6 UNP 130 A +ATOM 1034 O O . ALA A 1 130 ? 7.069 7.702 7.340 1.00 98.75 ? 130 ALA A O 1 Q76EI6 UNP 130 A +ATOM 1035 N N . LEU A 1 131 ? 8.721 9.186 7.632 1.00 98.69 ? 131 LEU A N 1 Q76EI6 UNP 131 L +ATOM 1036 C CA . LEU A 1 131 ? 8.153 9.780 8.847 1.00 98.69 ? 131 LEU A CA 1 Q76EI6 UNP 131 L +ATOM 1037 C C . LEU A 1 131 ? 6.749 10.337 8.602 1.00 98.69 ? 131 LEU A C 1 Q76EI6 UNP 131 L +ATOM 1038 C CB . LEU A 1 131 ? 9.074 10.892 9.375 1.00 98.69 ? 131 LEU A CB 1 Q76EI6 UNP 131 L +ATOM 1039 O O . LEU A 1 131 ? 5.862 10.098 9.413 1.00 98.69 ? 131 LEU A O 1 Q76EI6 UNP 131 L +ATOM 1040 C CG . LEU A 1 131 ? 10.373 10.397 10.032 1.00 98.69 ? 131 LEU A CG 1 Q76EI6 UNP 131 L +ATOM 1041 C CD1 . LEU A 1 131 ? 11.256 11.601 10.361 1.00 98.69 ? 131 LEU A CD1 1 Q76EI6 UNP 131 L +ATOM 1042 C CD2 . LEU A 1 131 ? 10.112 9.623 11.325 1.00 98.69 ? 131 LEU A CD2 1 Q76EI6 UNP 131 L +ATOM 1043 N N . VAL A 1 132 ? 6.527 11.015 7.472 1.00 98.50 ? 132 VAL A N 1 Q76EI6 UNP 132 V +ATOM 1044 C CA . VAL A 1 132 ? 5.193 11.484 7.071 1.00 98.50 ? 132 VAL A CA 1 Q76EI6 UNP 132 V +ATOM 1045 C C . VAL A 1 132 ? 4.229 10.308 6.923 1.00 98.50 ? 132 VAL A C 1 Q76EI6 UNP 132 V +ATOM 1046 C CB . VAL A 1 132 ? 5.263 12.319 5.778 1.00 98.50 ? 132 VAL A CB 1 Q76EI6 UNP 132 V +ATOM 1047 O O . VAL A 1 132 ? 3.140 10.362 7.482 1.00 98.50 ? 132 VAL A O 1 Q76EI6 UNP 132 V +ATOM 1048 C CG1 . VAL A 1 132 ? 3.876 12.650 5.211 1.00 98.50 ? 132 VAL A CG1 1 Q76EI6 UNP 132 V +ATOM 1049 C CG2 . VAL A 1 132 ? 5.975 13.655 6.034 1.00 98.50 ? 132 VAL A CG2 1 Q76EI6 UNP 132 V +ATOM 1050 N N . ALA A 1 133 ? 4.625 9.229 6.241 1.00 98.75 ? 133 ALA A N 1 Q76EI6 UNP 133 A +ATOM 1051 C CA . ALA A 1 133 ? 3.779 8.044 6.091 1.00 98.75 ? 133 ALA A CA 1 Q76EI6 UNP 133 A +ATOM 1052 C C . ALA A 1 133 ? 3.392 7.429 7.449 1.00 98.75 ? 133 ALA A C 1 Q76EI6 UNP 133 A +ATOM 1053 C CB . ALA A 1 133 ? 4.498 7.025 5.199 1.00 98.75 ? 133 ALA A CB 1 Q76EI6 UNP 133 A +ATOM 1054 O O . ALA A 1 133 ? 2.215 7.146 7.678 1.00 98.75 ? 133 ALA A O 1 Q76EI6 UNP 133 A +ATOM 1055 N N . TRP A 1 134 ? 4.353 7.282 8.369 1.00 98.62 ? 134 TRP A N 1 Q76EI6 UNP 134 W +ATOM 1056 C CA . TRP A 1 134 ? 4.100 6.770 9.719 1.00 98.62 ? 134 TRP A CA 1 Q76EI6 UNP 134 W +ATOM 1057 C C . TRP A 1 134 ? 3.185 7.701 10.520 1.00 98.62 ? 134 TRP A C 1 Q76EI6 UNP 134 W +ATOM 1058 C CB . TRP A 1 134 ? 5.426 6.524 10.457 1.00 98.62 ? 134 TRP A CB 1 Q76EI6 UNP 134 W +ATOM 1059 O O . TRP A 1 134 ? 2.190 7.235 11.067 1.00 98.62 ? 134 TRP A O 1 Q76EI6 UNP 134 W +ATOM 1060 C CG . TRP A 1 134 ? 6.160 5.282 10.044 1.00 98.62 ? 134 TRP A CG 1 Q76EI6 UNP 134 W +ATOM 1061 C CD1 . TRP A 1 134 ? 7.234 5.219 9.228 1.00 98.62 ? 134 TRP A CD1 1 Q76EI6 UNP 134 W +ATOM 1062 C CD2 . TRP A 1 134 ? 5.925 3.905 10.468 1.00 98.62 ? 134 TRP A CD2 1 Q76EI6 UNP 134 W +ATOM 1063 C CE2 . TRP A 1 134 ? 6.830 3.050 9.770 1.00 98.62 ? 134 TRP A CE2 1 Q76EI6 UNP 134 W +ATOM 1064 C CE3 . TRP A 1 134 ? 5.071 3.294 11.406 1.00 98.62 ? 134 TRP A CE3 1 Q76EI6 UNP 134 W +ATOM 1065 N NE1 . TRP A 1 134 ? 7.625 3.909 9.050 1.00 98.62 ? 134 TRP A NE1 1 Q76EI6 UNP 134 W +ATOM 1066 C CH2 . TRP A 1 134 ? 5.942 1.077 10.843 1.00 98.62 ? 134 TRP A CH2 1 Q76EI6 UNP 134 W +ATOM 1067 C CZ2 . TRP A 1 134 ? 6.830 1.657 9.925 1.00 98.62 ? 134 TRP A CZ2 1 Q76EI6 UNP 134 W +ATOM 1068 C CZ3 . TRP A 1 134 ? 5.091 1.898 11.599 1.00 98.62 ? 134 TRP A CZ3 1 Q76EI6 UNP 134 W +ATOM 1069 N N . ILE A 1 135 ? 3.472 9.006 10.557 1.00 98.50 ? 135 ILE A N 1 Q76EI6 UNP 135 I +ATOM 1070 C CA . ILE A 1 135 ? 2.688 9.991 11.318 1.00 98.50 ? 135 ILE A CA 1 Q76EI6 UNP 135 I +ATOM 1071 C C . ILE A 1 135 ? 1.261 10.093 10.779 1.00 98.50 ? 135 ILE A C 1 Q76EI6 UNP 135 I +ATOM 1072 C CB . ILE A 1 135 ? 3.395 11.367 11.331 1.00 98.50 ? 135 ILE A CB 1 Q76EI6 UNP 135 I +ATOM 1073 O O . ILE A 1 135 ? 0.322 10.039 11.567 1.00 98.50 ? 135 ILE A O 1 Q76EI6 UNP 135 I +ATOM 1074 C CG1 . ILE A 1 135 ? 4.678 11.290 12.192 1.00 98.50 ? 135 ILE A CG1 1 Q76EI6 UNP 135 I +ATOM 1075 C CG2 . ILE A 1 135 ? 2.471 12.478 11.872 1.00 98.50 ? 135 ILE A CG2 1 Q76EI6 UNP 135 I +ATOM 1076 C CD1 . ILE A 1 135 ? 5.606 12.502 12.032 1.00 98.50 ? 135 ILE A CD1 1 Q76EI6 UNP 135 I +ATOM 1077 N N . MET A 1 136 ? 1.080 10.196 9.460 1.00 97.81 ? 136 MET A N 1 Q76EI6 UNP 136 M +ATOM 1078 C CA . MET A 1 136 ? -0.252 10.279 8.851 1.00 97.81 ? 136 MET A CA 1 Q76EI6 UNP 136 M +ATOM 1079 C C . MET A 1 136 ? -1.063 9.014 9.125 1.00 97.81 ? 136 MET A C 1 Q76EI6 UNP 136 M +ATOM 1080 C CB . MET A 1 136 ? -0.136 10.518 7.337 1.00 97.81 ? 136 MET A CB 1 Q76EI6 UNP 136 M +ATOM 1081 O O . MET A 1 136 ? -2.223 9.090 9.518 1.00 97.81 ? 136 MET A O 1 Q76EI6 UNP 136 M +ATOM 1082 C CG . MET A 1 136 ? 0.353 11.931 6.995 1.00 97.81 ? 136 MET A CG 1 Q76EI6 UNP 136 M +ATOM 1083 S SD . MET A 1 136 ? -0.660 13.302 7.619 1.00 97.81 ? 136 MET A SD 1 Q76EI6 UNP 136 M +ATOM 1084 C CE . MET A 1 136 ? -2.248 12.956 6.810 1.00 97.81 ? 136 MET A CE 1 Q76EI6 UNP 136 M +ATOM 1085 N N . SER A 1 137 ? -0.448 7.841 8.991 1.00 98.31 ? 137 SER A N 1 Q76EI6 UNP 137 S +ATOM 1086 C CA . SER A 1 137 ? -1.169 6.577 9.160 1.00 98.31 ? 137 SER A CA 1 Q76EI6 UNP 137 S +ATOM 1087 C C . SER A 1 137 ? -1.522 6.310 10.621 1.00 98.31 ? 137 SER A C 1 Q76EI6 UNP 137 S +ATOM 1088 C CB . SER A 1 137 ? -0.372 5.420 8.570 1.00 98.31 ? 137 SER A CB 1 Q76EI6 UNP 137 S +ATOM 1089 O O . SER A 1 137 ? -2.683 6.052 10.928 1.00 98.31 ? 137 SER A O 1 Q76EI6 UNP 137 S +ATOM 1090 O OG . SER A 1 137 ? -0.029 5.750 7.244 1.00 98.31 ? 137 SER A OG 1 Q76EI6 UNP 137 S +ATOM 1091 N N . PHE A 1 138 ? -0.554 6.427 11.534 1.00 98.12 ? 138 PHE A N 1 Q76EI6 UNP 138 F +ATOM 1092 C CA . PHE A 1 138 ? -0.772 6.197 12.966 1.00 98.12 ? 138 PHE A CA 1 Q76EI6 UNP 138 F +ATOM 1093 C C . PHE A 1 138 ? -1.622 7.304 13.592 1.00 98.12 ? 138 PHE A C 1 Q76EI6 UNP 138 F +ATOM 1094 C CB . PHE A 1 138 ? 0.575 6.072 13.698 1.00 98.12 ? 138 PHE A CB 1 Q76EI6 UNP 138 F +ATOM 1095 O O . PHE A 1 138 ? -2.509 7.021 14.392 1.00 98.12 ? 138 PHE A O 1 Q76EI6 UNP 138 F +ATOM 1096 C CG . PHE A 1 138 ? 1.208 4.699 13.583 1.00 98.12 ? 138 PHE A CG 1 Q76EI6 UNP 138 F +ATOM 1097 C CD1 . PHE A 1 138 ? 1.353 3.904 14.735 1.00 98.12 ? 138 PHE A CD1 1 Q76EI6 UNP 138 F +ATOM 1098 C CD2 . PHE A 1 138 ? 1.592 4.181 12.331 1.00 98.12 ? 138 PHE A CD2 1 Q76EI6 UNP 138 F +ATOM 1099 C CE1 . PHE A 1 138 ? 1.814 2.584 14.636 1.00 98.12 ? 138 PHE A CE1 1 Q76EI6 UNP 138 F +ATOM 1100 C CE2 . PHE A 1 138 ? 2.036 2.853 12.227 1.00 98.12 ? 138 PHE A CE2 1 Q76EI6 UNP 138 F +ATOM 1101 C CZ . PHE A 1 138 ? 2.138 2.057 13.379 1.00 98.12 ? 138 PHE A CZ 1 Q76EI6 UNP 138 F +ATOM 1102 N N . GLY A 1 139 ? -1.404 8.562 13.205 1.00 97.81 ? 139 GLY A N 1 Q76EI6 UNP 139 G +ATOM 1103 C CA . GLY A 1 139 ? -2.190 9.694 13.687 1.00 97.81 ? 139 GLY A CA 1 Q76EI6 UNP 139 G +ATOM 1104 C C . GLY A 1 139 ? -3.675 9.497 13.398 1.00 97.81 ? 139 GLY A C 1 Q76EI6 UNP 139 G +ATOM 1105 O O . GLY A 1 139 ? -4.482 9.455 14.324 1.00 97.81 ? 139 GLY A O 1 Q76EI6 UNP 139 G +ATOM 1106 N N . HIS A 1 140 ? -4.029 9.263 12.135 1.00 97.12 ? 140 HIS A N 1 Q76EI6 UNP 140 H +ATOM 1107 C CA . HIS A 1 140 ? -5.425 9.087 11.736 1.00 97.12 ? 140 HIS A CA 1 Q76EI6 UNP 140 H +ATOM 1108 C C . HIS A 1 140 ? -6.032 7.766 12.238 1.00 97.12 ? 140 HIS A C 1 Q76EI6 UNP 140 H +ATOM 1109 C CB . HIS A 1 140 ? -5.511 9.192 10.217 1.00 97.12 ? 140 HIS A CB 1 Q76EI6 UNP 140 H +ATOM 1110 O O . HIS A 1 140 ? -7.181 7.739 12.679 1.00 97.12 ? 140 HIS A O 1 Q76EI6 UNP 140 H +ATOM 1111 C CG . HIS A 1 140 ? -5.387 10.591 9.680 1.00 97.12 ? 140 HIS A CG 1 Q76EI6 UNP 140 H +ATOM 1112 C CD2 . HIS A 1 140 ? -4.278 11.393 9.659 1.00 97.12 ? 140 HIS A CD2 1 Q76EI6 UNP 140 H +ATOM 1113 N ND1 . HIS A 1 140 ? -6.408 11.315 9.113 1.00 97.12 ? 140 HIS A ND1 1 Q76EI6 UNP 140 H +ATOM 1114 C CE1 . HIS A 1 140 ? -5.922 12.511 8.751 1.00 97.12 ? 140 HIS A CE1 1 Q76EI6 UNP 140 H +ATOM 1115 N NE2 . HIS A 1 140 ? -4.622 12.609 9.067 1.00 97.12 ? 140 HIS A NE2 1 Q76EI6 UNP 140 H +ATOM 1116 N N . CYS A 1 141 ? -5.268 6.667 12.266 1.00 97.00 ? 141 CYS A N 1 Q76EI6 UNP 141 C +ATOM 1117 C CA . CYS A 1 141 ? -5.766 5.384 12.775 1.00 97.00 ? 141 CYS A CA 1 Q76EI6 UNP 141 C +ATOM 1118 C C . CYS A 1 141 ? -5.940 5.343 14.300 1.00 97.00 ? 141 CYS A C 1 Q76EI6 UNP 141 C +ATOM 1119 C CB . CYS A 1 141 ? -4.876 4.237 12.299 1.00 97.00 ? 141 CYS A CB 1 Q76EI6 UNP 141 C +ATOM 1120 O O . CYS A 1 141 ? -6.528 4.386 14.806 1.00 97.00 ? 141 CYS A O 1 Q76EI6 UNP 141 C +ATOM 1121 S SG . CYS A 1 141 ? -5.087 4.004 10.516 1.00 97.00 ? 141 CYS A SG 1 Q76EI6 UNP 141 C +ATOM 1122 N N . THR A 1 142 ? -5.517 6.376 15.043 1.00 96.12 ? 142 THR A N 1 Q76EI6 UNP 142 T +ATOM 1123 C CA . THR A 1 142 ? -5.778 6.496 16.494 1.00 96.12 ? 142 THR A CA 1 Q76EI6 UNP 142 T +ATOM 1124 C C . THR A 1 142 ? -7.275 6.399 16.809 1.00 96.12 ? 142 THR A C 1 Q76EI6 UNP 142 T +ATOM 1125 C CB . THR A 1 142 ? -5.207 7.810 17.054 1.00 96.12 ? 142 THR A CB 1 Q76EI6 UNP 142 T +ATOM 1126 O O . THR A 1 142 ? -7.654 5.928 17.884 1.00 96.12 ? 142 THR A O 1 Q76EI6 UNP 142 T +ATOM 1127 C CG2 . THR A 1 142 ? -5.391 7.949 18.566 1.00 96.12 ? 142 THR A CG2 1 Q76EI6 UNP 142 T +ATOM 1128 O OG1 . THR A 1 142 ? -3.814 7.844 16.849 1.00 96.12 ? 142 THR A OG1 1 Q76EI6 UNP 142 T +ATOM 1129 N N . ILE A 1 143 ? -8.141 6.730 15.842 1.00 93.94 ? 143 ILE A N 1 Q76EI6 UNP 143 I +ATOM 1130 C CA . ILE A 1 143 ? -9.589 6.526 15.936 1.00 93.94 ? 143 ILE A CA 1 Q76EI6 UNP 143 I +ATOM 1131 C C . ILE A 1 143 ? -9.980 5.103 16.354 1.00 93.94 ? 143 ILE A C 1 Q76EI6 UNP 143 I +ATOM 1132 C CB . ILE A 1 143 ? -10.269 6.903 14.602 1.00 93.94 ? 143 ILE A CB 1 Q76EI6 UNP 143 I +ATOM 1133 O O . ILE A 1 143 ? -10.942 4.934 17.096 1.00 93.94 ? 143 ILE A O 1 Q76EI6 UNP 143 I +ATOM 1134 C CG1 . ILE A 1 143 ? -11.806 6.925 14.727 1.00 93.94 ? 143 ILE A CG1 1 Q76EI6 UNP 143 I +ATOM 1135 C CG2 . ILE A 1 143 ? -9.891 5.948 13.452 1.00 93.94 ? 143 ILE A CG2 1 Q76EI6 UNP 143 I +ATOM 1136 C CD1 . ILE A 1 143 ? -12.329 7.921 15.766 1.00 93.94 ? 143 ILE A CD1 1 Q76EI6 UNP 143 I +ATOM 1137 N N . VAL A 1 144 ? -9.221 4.083 15.943 1.00 93.88 ? 144 VAL A N 1 Q76EI6 UNP 144 V +ATOM 1138 C CA . VAL A 1 144 ? -9.487 2.680 16.291 1.00 93.88 ? 144 VAL A CA 1 Q76EI6 UNP 144 V +ATOM 1139 C C . VAL A 1 144 ? -9.445 2.484 17.805 1.00 93.88 ? 144 VAL A C 1 Q76EI6 UNP 144 V +ATOM 1140 C CB . VAL A 1 144 ? -8.471 1.751 15.601 1.00 93.88 ? 144 VAL A CB 1 Q76EI6 UNP 144 V +ATOM 1141 O O . VAL A 1 144 ? -10.318 1.829 18.370 1.00 93.88 ? 144 VAL A O 1 Q76EI6 UNP 144 V +ATOM 1142 C CG1 . VAL A 1 144 ? -8.698 0.282 15.977 1.00 93.88 ? 144 VAL A CG1 1 Q76EI6 UNP 144 V +ATOM 1143 C CG2 . VAL A 1 144 ? -8.552 1.861 14.072 1.00 93.88 ? 144 VAL A CG2 1 Q76EI6 UNP 144 V +ATOM 1144 N N . ILE A 1 145 ? -8.470 3.107 18.471 1.00 93.69 ? 145 ILE A N 1 Q76EI6 UNP 145 I +ATOM 1145 C CA . ILE A 1 145 ? -8.349 3.080 19.931 1.00 93.69 ? 145 ILE A CA 1 Q76EI6 UNP 145 I +ATOM 1146 C C . ILE A 1 145 ? -9.491 3.884 20.552 1.00 93.69 ? 145 ILE A C 1 Q76EI6 UNP 145 I +ATOM 1147 C CB . ILE A 1 145 ? -6.964 3.600 20.383 1.00 93.69 ? 145 ILE A CB 1 Q76EI6 UNP 145 I +ATOM 1148 O O . ILE A 1 145 ? -10.193 3.371 21.420 1.00 93.69 ? 145 ILE A O 1 Q76EI6 UNP 145 I +ATOM 1149 C CG1 . ILE A 1 145 ? -5.841 2.738 19.761 1.00 93.69 ? 145 ILE A CG1 1 Q76EI6 UNP 145 I +ATOM 1150 C CG2 . ILE A 1 145 ? -6.869 3.614 21.921 1.00 93.69 ? 145 ILE A CG2 1 Q76EI6 UNP 145 I +ATOM 1151 C CD1 . ILE A 1 145 ? -4.418 3.169 20.134 1.00 93.69 ? 145 ILE A CD1 1 Q76EI6 UNP 145 I +ATOM 1152 N N . ILE A 1 146 ? -9.715 5.116 20.089 1.00 92.69 ? 146 ILE A N 1 Q76EI6 UNP 146 I +ATOM 1153 C CA . ILE A 1 146 ? -10.744 6.010 20.645 1.00 92.69 ? 146 ILE A CA 1 Q76EI6 UNP 146 I +ATOM 1154 C C . ILE A 1 146 ? -12.118 5.336 20.620 1.00 92.69 ? 146 ILE A C 1 Q76EI6 UNP 146 I +ATOM 1155 C CB . ILE A 1 146 ? -10.761 7.354 19.880 1.00 92.69 ? 146 ILE A CB 1 Q76EI6 UNP 146 I +ATOM 1156 O O . ILE A 1 146 ? -12.787 5.255 21.645 1.00 92.69 ? 146 ILE A O 1 Q76EI6 UNP 146 I +ATOM 1157 C CG1 . ILE A 1 146 ? -9.431 8.109 20.104 1.00 92.69 ? 146 ILE A CG1 1 Q76EI6 UNP 146 I +ATOM 1158 C CG2 . ILE A 1 146 ? -11.957 8.227 20.313 1.00 92.69 ? 146 ILE A CG2 1 Q76EI6 UNP 146 I +ATOM 1159 C CD1 . ILE A 1 146 ? -9.244 9.326 19.189 1.00 92.69 ? 146 ILE A CD1 1 Q76EI6 UNP 146 I +ATOM 1160 N N . VAL A 1 147 ? -12.515 4.793 19.470 1.00 90.75 ? 147 VAL A N 1 Q76EI6 UNP 147 V +ATOM 1161 C CA . VAL A 1 147 ? -13.813 4.137 19.275 1.00 90.75 ? 147 VAL A CA 1 Q76EI6 UNP 147 V +ATOM 1162 C C . VAL A 1 147 ? -13.933 2.883 20.121 1.00 90.75 ? 147 VAL A C 1 Q76EI6 UNP 147 V +ATOM 1163 C CB . VAL A 1 147 ? -14.002 3.795 17.793 1.00 90.75 ? 147 VAL A CB 1 Q76EI6 UNP 147 V +ATOM 1164 O O . VAL A 1 147 ? -14.997 2.642 20.689 1.00 90.75 ? 147 VAL A O 1 Q76EI6 UNP 147 V +ATOM 1165 C CG1 . VAL A 1 147 ? -15.204 2.883 17.532 1.00 90.75 ? 147 VAL A CG1 1 Q76EI6 UNP 147 V +ATOM 1166 C CG2 . VAL A 1 147 ? -14.189 5.097 17.009 1.00 90.75 ? 147 VAL A CG2 1 Q76EI6 UNP 147 V +ATOM 1167 N N . GLN A 1 148 ? -12.854 2.103 20.245 1.00 88.25 ? 148 GLN A N 1 Q76EI6 UNP 148 Q +ATOM 1168 C CA . GLN A 1 148 ? -12.867 0.912 21.084 1.00 88.25 ? 148 GLN A CA 1 Q76EI6 UNP 148 Q +ATOM 1169 C C . GLN A 1 148 ? -13.192 1.269 22.538 1.00 88.25 ? 148 GLN A C 1 Q76EI6 UNP 148 Q +ATOM 1170 C CB . GLN A 1 148 ? -11.524 0.169 20.946 1.00 88.25 ? 148 GLN A CB 1 Q76EI6 UNP 148 Q +ATOM 1171 O O . GLN A 1 148 ? -13.891 0.508 23.202 1.00 88.25 ? 148 GLN A O 1 Q76EI6 UNP 148 Q +ATOM 1172 C CG . GLN A 1 148 ? -11.482 -1.195 21.656 1.00 88.25 ? 148 GLN A CG 1 Q76EI6 UNP 148 Q +ATOM 1173 C CD . GLN A 1 148 ? -12.494 -2.209 21.123 1.00 88.25 ? 148 GLN A CD 1 Q76EI6 UNP 148 Q +ATOM 1174 N NE2 . GLN A 1 148 ? -12.676 -3.320 21.799 1.00 88.25 ? 148 GLN A NE2 1 Q76EI6 UNP 148 Q +ATOM 1175 O OE1 . GLN A 1 148 ? -13.124 -2.048 20.093 1.00 88.25 ? 148 GLN A OE1 1 Q76EI6 UNP 148 Q +ATOM 1176 N N . TYR A 1 149 ? -12.733 2.420 23.037 1.00 88.69 ? 149 TYR A N 1 Q76EI6 UNP 149 Y +ATOM 1177 C CA . TYR A 1 149 ? -12.989 2.876 24.407 1.00 88.69 ? 149 TYR A CA 1 Q76EI6 UNP 149 Y +ATOM 1178 C C . TYR A 1 149 ? -14.197 3.816 24.566 1.00 88.69 ? 149 TYR A C 1 Q76EI6 UNP 149 Y +ATOM 1179 C CB . TYR A 1 149 ? -11.699 3.452 24.997 1.00 88.69 ? 149 TYR A CB 1 Q76EI6 UNP 149 Y +ATOM 1180 O O . TYR A 1 149 ? -14.636 4.042 25.698 1.00 88.69 ? 149 TYR A O 1 Q76EI6 UNP 149 Y +ATOM 1181 C CG . TYR A 1 149 ? -10.681 2.373 25.321 1.00 88.69 ? 149 TYR A CG 1 Q76EI6 UNP 149 Y +ATOM 1182 C CD1 . TYR A 1 149 ? -10.781 1.657 26.529 1.00 88.69 ? 149 TYR A CD1 1 Q76EI6 UNP 149 Y +ATOM 1183 C CD2 . TYR A 1 149 ? -9.643 2.074 24.420 1.00 88.69 ? 149 TYR A CD2 1 Q76EI6 UNP 149 Y +ATOM 1184 C CE1 . TYR A 1 149 ? -9.839 0.657 26.838 1.00 88.69 ? 149 TYR A CE1 1 Q76EI6 UNP 149 Y +ATOM 1185 C CE2 . TYR A 1 149 ? -8.713 1.061 24.708 1.00 88.69 ? 149 TYR A CE2 1 Q76EI6 UNP 149 Y +ATOM 1186 O OH . TYR A 1 149 ? -7.889 -0.594 26.229 1.00 88.69 ? 149 TYR A OH 1 Q76EI6 UNP 149 Y +ATOM 1187 C CZ . TYR A 1 149 ? -8.804 0.360 25.925 1.00 88.69 ? 149 TYR A CZ 1 Q76EI6 UNP 149 Y +ATOM 1188 N N . LEU A 1 150 ? -14.785 4.303 23.474 1.00 85.31 ? 150 LEU A N 1 Q76EI6 UNP 150 L +ATOM 1189 C CA . LEU A 1 150 ? -15.987 5.134 23.496 1.00 85.31 ? 150 LEU A CA 1 Q76EI6 UNP 150 L +ATOM 1190 C C . LEU A 1 150 ? -17.183 4.343 24.052 1.00 85.31 ? 150 LEU A C 1 Q76EI6 UNP 150 L +ATOM 1191 C CB . LEU A 1 150 ? -16.242 5.659 22.071 1.00 85.31 ? 150 LEU A CB 1 Q76EI6 UNP 150 L +ATOM 1192 O O . LEU A 1 150 ? -17.453 3.232 23.602 1.00 85.31 ? 150 LEU A O 1 Q76EI6 UNP 150 L +ATOM 1193 C CG . LEU A 1 150 ? -17.339 6.733 21.976 1.00 85.31 ? 150 LEU A CG 1 Q76EI6 UNP 150 L +ATOM 1194 C CD1 . LEU A 1 150 ? -16.924 8.032 22.671 1.00 85.31 ? 150 LEU A CD1 1 Q76EI6 UNP 150 L +ATOM 1195 C CD2 . LEU A 1 150 ? -17.612 7.047 20.506 1.00 85.31 ? 150 LEU A CD2 1 Q76EI6 UNP 150 L +ATOM 1196 N N . ASN A 1 151 ? -17.887 4.913 25.036 1.00 68.62 ? 151 ASN A N 1 Q76EI6 UNP 151 N +ATOM 1197 C CA . ASN A 1 151 ? -19.046 4.312 25.719 1.00 68.62 ? 151 ASN A CA 1 Q76EI6 UNP 151 N +ATOM 1198 C C . ASN A 1 151 ? -18.797 2.906 26.302 1.00 68.62 ? 151 ASN A C 1 Q76EI6 UNP 151 N +ATOM 1199 C CB . ASN A 1 151 ? -20.297 4.416 24.828 1.00 68.62 ? 151 ASN A CB 1 Q76EI6 UNP 151 N +ATOM 1200 O O . ASN A 1 151 ? -19.684 2.059 26.341 1.00 68.62 ? 151 ASN A O 1 Q76EI6 UNP 151 N +ATOM 1201 C CG . ASN A 1 151 ? -20.717 5.849 24.564 1.00 68.62 ? 151 ASN A CG 1 Q76EI6 UNP 151 N +ATOM 1202 N ND2 . ASN A 1 151 ? -21.703 6.045 23.727 1.00 68.62 ? 151 ASN A ND2 1 Q76EI6 UNP 151 N +ATOM 1203 O OD1 . ASN A 1 151 ? -20.171 6.802 25.095 1.00 68.62 ? 151 ASN A OD1 1 Q76EI6 UNP 151 N +ATOM 1204 N N . SER A 1 152 ? -17.584 2.661 26.811 1.00 61.12 ? 152 SER A N 1 Q76EI6 UNP 152 S +ATOM 1205 C CA . SER A 1 152 ? -17.206 1.379 27.434 1.00 61.12 ? 152 SER A CA 1 Q76EI6 UNP 152 S +ATOM 1206 C C . SER A 1 152 ? -18.052 0.972 28.648 1.00 61.12 ? 152 SER A C 1 Q76EI6 UNP 152 S +ATOM 1207 C CB . SER A 1 152 ? -15.758 1.441 27.919 1.00 61.12 ? 152 SER A CB 1 Q76EI6 UNP 152 S +ATOM 1208 O O . SER A 1 152 ? -17.955 -0.172 29.083 1.00 61.12 ? 152 SER A O 1 Q76EI6 UNP 152 S +ATOM 1209 O OG . SER A 1 152 ? -14.865 1.648 26.846 1.00 61.12 ? 152 SER A OG 1 Q76EI6 UNP 152 S +ATOM 1210 N N . THR A 1 153 ? -18.824 1.891 29.227 1.00 51.25 ? 153 THR A N 1 Q76EI6 UNP 153 T +ATOM 1211 C CA . THR A 1 153 ? -19.530 1.696 30.497 1.00 51.25 ? 153 THR A CA 1 Q76EI6 UNP 153 T +ATOM 1212 C C . THR A 1 153 ? -20.830 0.894 30.382 1.00 51.25 ? 153 THR A C 1 Q76EI6 UNP 153 T +ATOM 1213 C CB . THR A 1 153 ? -19.805 3.046 31.199 1.00 51.25 ? 153 THR A CB 1 Q76EI6 UNP 153 T +ATOM 1214 O O . THR A 1 153 ? -21.337 0.463 31.410 1.00 51.25 ? 153 THR A O 1 Q76EI6 UNP 153 T +ATOM 1215 C CG2 . THR A 1 153 ? -19.204 3.066 32.604 1.00 51.25 ? 153 THR A CG2 1 Q76EI6 UNP 153 T +ATOM 1216 O OG1 . THR A 1 153 ? -19.235 4.146 30.508 1.00 51.25 ? 153 THR A OG1 1 Q76EI6 UNP 153 T +ATOM 1217 N N . GLU A 1 154 ? -21.373 0.657 29.183 1.00 46.69 ? 154 GLU A N 1 Q76EI6 UNP 154 E +ATOM 1218 C CA . GLU A 1 154 ? -22.750 0.142 29.047 1.00 46.69 ? 154 GLU A CA 1 Q76EI6 UNP 154 E +ATOM 1219 C C . GLU A 1 154 ? -22.909 -1.363 28.783 1.00 46.69 ? 154 GLU A C 1 Q76EI6 UNP 154 E +ATOM 1220 C CB . GLU A 1 154 ? -23.524 0.971 28.009 1.00 46.69 ? 154 GLU A CB 1 Q76EI6 UNP 154 E +ATOM 1221 O O . GLU A 1 154 ? -24.037 -1.832 28.679 1.00 46.69 ? 154 GLU A O 1 Q76EI6 UNP 154 E +ATOM 1222 C CG . GLU A 1 154 ? -23.945 2.332 28.582 1.00 46.69 ? 154 GLU A CG 1 Q76EI6 UNP 154 E +ATOM 1223 C CD . GLU A 1 154 ? -25.035 3.007 27.738 1.00 46.69 ? 154 GLU A CD 1 Q76EI6 UNP 154 E +ATOM 1224 O OE1 . GLU A 1 154 ? -25.778 3.825 28.323 1.00 46.69 ? 154 GLU A OE1 1 Q76EI6 UNP 154 E +ATOM 1225 O OE2 . GLU A 1 154 ? -25.097 2.729 26.517 1.00 46.69 ? 154 GLU A OE2 1 Q76EI6 UNP 154 E +ATOM 1226 N N . GLN A 1 155 ? -21.846 -2.163 28.654 1.00 47.62 ? 155 GLN A N 1 Q76EI6 UNP 155 Q +ATOM 1227 C CA . GLN A 1 155 ? -22.003 -3.508 28.072 1.00 47.62 ? 155 GLN A CA 1 Q76EI6 UNP 155 Q +ATOM 1228 C C . GLN A 1 155 ? -21.315 -4.615 28.871 1.00 47.62 ? 155 GLN A C 1 Q76EI6 UNP 155 Q +ATOM 1229 C CB . GLN A 1 155 ? -21.678 -3.447 26.575 1.00 47.62 ? 155 GLN A CB 1 Q76EI6 UNP 155 Q +ATOM 1230 O O . GLN A 1 155 ? -20.384 -5.281 28.424 1.00 47.62 ? 155 GLN A O 1 Q76EI6 UNP 155 Q +ATOM 1231 C CG . GLN A 1 155 ? -22.809 -2.677 25.859 1.00 47.62 ? 155 GLN A CG 1 Q76EI6 UNP 155 Q +ATOM 1232 C CD . GLN A 1 155 ? -22.701 -2.616 24.352 1.00 47.62 ? 155 GLN A CD 1 Q76EI6 UNP 155 Q +ATOM 1233 N NE2 . GLN A 1 155 ? -23.731 -2.117 23.699 1.00 47.62 ? 155 GLN A NE2 1 Q76EI6 UNP 155 Q +ATOM 1234 O OE1 . GLN A 1 155 ? -21.729 -3.000 23.727 1.00 47.62 ? 155 GLN A OE1 1 Q76EI6 UNP 155 Q +ATOM 1235 N N . VAL A 1 156 ? -21.826 -4.825 30.083 1.00 44.88 ? 156 VAL A N 1 Q76EI6 UNP 156 V +ATOM 1236 C CA . VAL A 1 156 ? -21.658 -6.073 30.831 1.00 44.88 ? 156 VAL A CA 1 Q76EI6 UNP 156 V +ATOM 1237 C C . VAL A 1 156 ? -22.804 -7.009 30.426 1.00 44.88 ? 156 VAL A C 1 Q76EI6 UNP 156 V +ATOM 1238 C CB . VAL A 1 156 ? -21.644 -5.803 32.355 1.00 44.88 ? 156 VAL A CB 1 Q76EI6 UNP 156 V +ATOM 1239 O O . VAL A 1 156 ? -23.945 -6.780 30.808 1.00 44.88 ? 156 VAL A O 1 Q76EI6 UNP 156 V +ATOM 1240 C CG1 . VAL A 1 156 ? -21.482 -7.096 33.167 1.00 44.88 ? 156 VAL A CG1 1 Q76EI6 UNP 156 V +ATOM 1241 C CG2 . VAL A 1 156 ? -20.492 -4.865 32.747 1.00 44.88 ? 156 VAL A CG2 1 Q76EI6 UNP 156 V +ATOM 1242 N N . GLY A 1 157 ? -22.511 -8.082 29.684 1.00 45.47 ? 157 GLY A N 1 Q76EI6 UNP 157 G +ATOM 1243 C CA . GLY A 1 157 ? -23.276 -9.327 29.843 1.00 45.47 ? 157 GLY A CA 1 Q76EI6 UNP 157 G +ATOM 1244 C C . GLY A 1 157 ? -24.274 -9.769 28.765 1.00 45.47 ? 157 GLY A C 1 Q76EI6 UNP 157 G +ATOM 1245 O O . GLY A 1 157 ? -25.312 -10.308 29.130 1.00 45.47 ? 157 GLY A O 1 Q76EI6 UNP 157 G +ATOM 1246 N N . THR A 1 158 ? -23.964 -9.688 27.464 1.00 46.34 ? 158 THR A N 1 Q76EI6 UNP 158 T +ATOM 1247 C CA . THR A 1 158 ? -24.608 -10.604 26.492 1.00 46.34 ? 158 THR A CA 1 Q76EI6 UNP 158 T +ATOM 1248 C C . THR A 1 158 ? -23.586 -11.266 25.562 1.00 46.34 ? 158 THR A C 1 Q76EI6 UNP 158 T +ATOM 1249 C CB . THR A 1 158 ? -25.765 -9.965 25.702 1.00 46.34 ? 158 THR A CB 1 Q76EI6 UNP 158 T +ATOM 1250 O O . THR A 1 158 ? -22.667 -10.621 25.061 1.00 46.34 ? 158 THR A O 1 Q76EI6 UNP 158 T +ATOM 1251 C CG2 . THR A 1 158 ? -26.956 -9.575 26.577 1.00 46.34 ? 158 THR A CG2 1 Q76EI6 UNP 158 T +ATOM 1252 O OG1 . THR A 1 158 ? -25.348 -8.818 25.004 1.00 46.34 ? 158 THR A OG1 1 Q76EI6 UNP 158 T +ATOM 1253 N N . GLU A 1 159 ? -23.740 -12.574 25.327 1.00 50.66 ? 159 GLU A N 1 Q76EI6 UNP 159 E +ATOM 1254 C CA . GLU A 1 159 ? -22.842 -13.418 24.512 1.00 50.66 ? 159 GLU A CA 1 Q76EI6 UNP 159 E +ATOM 1255 C C . GLU A 1 159 ? -22.621 -12.910 23.070 1.00 50.66 ? 159 GLU A C 1 Q76EI6 UNP 159 E +ATOM 1256 C CB . GLU A 1 159 ? -23.417 -14.846 24.448 1.00 50.66 ? 159 GLU A CB 1 Q76EI6 UNP 159 E +ATOM 1257 O O . GLU A 1 159 ? -21.646 -13.294 22.425 1.00 50.66 ? 159 GLU A O 1 Q76EI6 UNP 159 E +ATOM 1258 C CG . GLU A 1 159 ? -23.369 -15.611 25.781 1.00 50.66 ? 159 GLU A CG 1 Q76EI6 UNP 159 E +ATOM 1259 C CD . GLU A 1 159 ? -23.850 -17.065 25.629 1.00 50.66 ? 159 GLU A CD 1 Q76EI6 UNP 159 E +ATOM 1260 O OE1 . GLU A 1 159 ? -23.296 -17.934 26.336 1.00 50.66 ? 159 GLU A OE1 1 Q76EI6 UNP 159 E +ATOM 1261 O OE2 . GLU A 1 159 ? -24.736 -17.302 24.778 1.00 50.66 ? 159 GLU A OE2 1 Q76EI6 UNP 159 E +ATOM 1262 N N . ASN A 1 160 ? -23.480 -12.011 22.572 1.00 50.50 ? 160 ASN A N 1 Q76EI6 UNP 160 N +ATOM 1263 C CA . ASN A 1 160 ? -23.409 -11.439 21.223 1.00 50.50 ? 160 ASN A CA 1 Q76EI6 UNP 160 N +ATOM 1264 C C . ASN A 1 160 ? -22.366 -10.310 21.053 1.00 50.50 ? 160 ASN A C 1 Q76EI6 UNP 160 N +ATOM 1265 C CB . ASN A 1 160 ? -24.828 -11.000 20.797 1.00 50.50 ? 160 ASN A CB 1 Q76EI6 UNP 160 N +ATOM 1266 O O . ASN A 1 160 ? -22.184 -9.824 19.937 1.00 50.50 ? 160 ASN A O 1 Q76EI6 UNP 160 N +ATOM 1267 C CG . ASN A 1 160 ? -25.724 -12.160 20.386 1.00 50.50 ? 160 ASN A CG 1 Q76EI6 UNP 160 N +ATOM 1268 N ND2 . ASN A 1 160 ? -26.999 -11.913 20.200 1.00 50.50 ? 160 ASN A ND2 1 Q76EI6 UNP 160 N +ATOM 1269 O OD1 . ASN A 1 160 ? -25.304 -13.288 20.205 1.00 50.50 ? 160 ASN A OD1 1 Q76EI6 UNP 160 N +ATOM 1270 N N . GLN A 1 161 ? -21.662 -9.886 22.112 1.00 59.41 ? 161 GLN A N 1 Q76EI6 UNP 161 Q +ATOM 1271 C CA . GLN A 1 161 ? -20.758 -8.717 22.080 1.00 59.41 ? 161 GLN A CA 1 Q76EI6 UNP 161 Q +ATOM 1272 C C . GLN A 1 161 ? -19.257 -9.019 22.141 1.00 59.41 ? 161 GLN A C 1 Q76EI6 UNP 161 Q +ATOM 1273 C CB . GLN A 1 161 ? -21.205 -7.701 23.139 1.00 59.41 ? 161 GLN A CB 1 Q76EI6 UNP 161 Q +ATOM 1274 O O . GLN A 1 161 ? -18.437 -8.112 22.281 1.00 59.41 ? 161 GLN A O 1 Q76EI6 UNP 161 Q +ATOM 1275 C CG . GLN A 1 161 ? -22.276 -6.814 22.504 1.00 59.41 ? 161 GLN A CG 1 Q76EI6 UNP 161 Q +ATOM 1276 C CD . GLN A 1 161 ? -22.941 -5.873 23.483 1.00 59.41 ? 161 GLN A CD 1 Q76EI6 UNP 161 Q +ATOM 1277 N NE2 . GLN A 1 161 ? -23.760 -4.995 22.959 1.00 59.41 ? 161 GLN A NE2 1 Q76EI6 UNP 161 Q +ATOM 1278 O OE1 . GLN A 1 161 ? -22.801 -5.948 24.691 1.00 59.41 ? 161 GLN A OE1 1 Q76EI6 UNP 161 Q +ATOM 1279 N N . ILE A 1 162 ? -18.860 -10.275 21.960 1.00 78.25 ? 162 ILE A N 1 Q76EI6 UNP 162 I +ATOM 1280 C CA . ILE A 1 162 ? -17.449 -10.680 21.955 1.00 78.25 ? 162 ILE A CA 1 Q76EI6 UNP 162 I +ATOM 1281 C C . ILE A 1 162 ? -16.831 -10.416 20.564 1.00 78.25 ? 162 ILE A C 1 Q76EI6 UNP 162 I +ATOM 1282 C CB . ILE A 1 162 ? -17.300 -12.141 22.460 1.00 78.25 ? 162 ILE A CB 1 Q76EI6 UNP 162 I +ATOM 1283 O O . ILE A 1 162 ? -16.350 -11.333 19.914 1.00 78.25 ? 162 ILE A O 1 Q76EI6 UNP 162 I +ATOM 1284 C CG1 . ILE A 1 162 ? -18.113 -12.405 23.751 1.00 78.25 ? 162 ILE A CG1 1 Q76EI6 UNP 162 I +ATOM 1285 C CG2 . ILE A 1 162 ? -15.828 -12.466 22.738 1.00 78.25 ? 162 ILE A CG2 1 Q76EI6 UNP 162 I +ATOM 1286 C CD1 . ILE A 1 162 ? -18.017 -13.848 24.266 1.00 78.25 ? 162 ILE A CD1 1 Q76EI6 UNP 162 I +ATOM 1287 N N . THR A 1 163 ? -16.880 -9.185 20.052 1.00 82.75 ? 163 THR A N 1 Q76EI6 UNP 163 T +ATOM 1288 C CA . THR A 1 163 ? -16.289 -8.809 18.744 1.00 82.75 ? 163 THR A CA 1 Q76EI6 UNP 163 T +ATOM 1289 C C . THR A 1 163 ? -15.257 -7.698 18.902 1.00 82.75 ? 163 THR A C 1 Q76EI6 UNP 163 T +ATOM 1290 C CB . THR A 1 163 ? -17.343 -8.377 17.711 1.00 82.75 ? 163 THR A CB 1 Q76EI6 UNP 163 T +ATOM 1291 O O . THR A 1 163 ? -15.400 -6.851 19.785 1.00 82.75 ? 163 THR A O 1 Q76EI6 UNP 163 T +ATOM 1292 C CG2 . THR A 1 163 ? -18.340 -9.487 17.384 1.00 82.75 ? 163 THR A CG2 1 Q76EI6 UNP 163 T +ATOM 1293 O OG1 . THR A 1 163 ? -18.061 -7.250 18.170 1.00 82.75 ? 163 THR A OG1 1 Q76EI6 UNP 163 T +ATOM 1294 N N . CYS A 1 164 ? -14.245 -7.652 18.033 1.00 87.88 ? 164 CYS A N 1 Q76EI6 UNP 164 C +ATOM 1295 C CA . CYS A 1 164 ? -13.236 -6.593 18.022 1.00 87.88 ? 164 CYS A CA 1 Q76EI6 UNP 164 C +ATOM 1296 C C . CYS A 1 164 ? -13.437 -5.636 16.838 1.00 87.88 ? 164 CYS A C 1 Q76EI6 UNP 164 C +ATOM 1297 C CB . CYS A 1 164 ? -11.845 -7.234 18.006 1.00 87.88 ? 164 CYS A CB 1 Q76EI6 UNP 164 C +ATOM 1298 O O . CYS A 1 164 ? -13.212 -6.008 15.691 1.00 87.88 ? 164 CYS A O 1 Q76EI6 UNP 164 C +ATOM 1299 S SG . CYS A 1 164 ? -10.465 -6.066 17.925 1.00 87.88 ? 164 CYS A SG 1 Q76EI6 UNP 164 C +ATOM 1300 N N . TYR A 1 165 ? -13.811 -4.381 17.123 1.00 86.06 ? 165 TYR A N 1 Q76EI6 UNP 165 Y +ATOM 1301 C CA . TYR A 1 165 ? -13.941 -3.311 16.121 1.00 86.06 ? 165 TYR A CA 1 Q76EI6 UNP 165 Y +ATOM 1302 C C . TYR A 1 165 ? -14.908 -3.631 14.949 1.00 86.06 ? 165 TYR A C 1 Q76EI6 UNP 165 Y +ATOM 1303 C CB . TYR A 1 165 ? -12.528 -2.869 15.685 1.00 86.06 ? 165 TYR A CB 1 Q76EI6 UNP 165 Y +ATOM 1304 O O . TYR A 1 165 ? -14.616 -3.300 13.800 1.00 86.06 ? 165 TYR A O 1 Q76EI6 UNP 165 Y +ATOM 1305 C CG . TYR A 1 165 ? -12.451 -1.563 14.912 1.00 86.06 ? 165 TYR A CG 1 Q76EI6 UNP 165 Y +ATOM 1306 C CD1 . TYR A 1 165 ? -12.243 -1.575 13.519 1.00 86.06 ? 165 TYR A CD1 1 Q76EI6 UNP 165 Y +ATOM 1307 C CD2 . TYR A 1 165 ? -12.569 -0.336 15.590 1.00 86.06 ? 165 TYR A CD2 1 Q76EI6 UNP 165 Y +ATOM 1308 C CE1 . TYR A 1 165 ? -12.097 -0.370 12.805 1.00 86.06 ? 165 TYR A CE1 1 Q76EI6 UNP 165 Y +ATOM 1309 C CE2 . TYR A 1 165 ? -12.500 0.873 14.871 1.00 86.06 ? 165 TYR A CE2 1 Q76EI6 UNP 165 Y +ATOM 1310 O OH . TYR A 1 165 ? -12.124 2.029 12.806 1.00 86.06 ? 165 TYR A OH 1 Q76EI6 UNP 165 Y +ATOM 1311 C CZ . TYR A 1 165 ? -12.245 0.859 13.484 1.00 86.06 ? 165 TYR A CZ 1 Q76EI6 UNP 165 Y +ATOM 1312 N N . GLU A 1 166 ? -16.073 -4.234 15.233 1.00 83.38 ? 166 GLU A N 1 Q76EI6 UNP 166 E +ATOM 1313 C CA . GLU A 1 166 ? -17.094 -4.560 14.212 1.00 83.38 ? 166 GLU A CA 1 Q76EI6 UNP 166 E +ATOM 1314 C C . GLU A 1 166 ? -18.518 -4.122 14.613 1.00 83.38 ? 166 GLU A C 1 Q76EI6 UNP 166 E +ATOM 1315 C CB . GLU A 1 166 ? -17.022 -6.061 13.867 1.00 83.38 ? 166 GLU A CB 1 Q76EI6 UNP 166 E +ATOM 1316 O O . GLU A 1 166 ? -19.129 -3.312 13.914 1.00 83.38 ? 166 GLU A O 1 Q76EI6 UNP 166 E +ATOM 1317 C CG . GLU A 1 166 ? -17.744 -6.421 12.553 1.00 83.38 ? 166 GLU A CG 1 Q76EI6 UNP 166 E +ATOM 1318 C CD . GLU A 1 166 ? -17.143 -5.710 11.321 1.00 83.38 ? 166 GLU A CD 1 Q76EI6 UNP 166 E +ATOM 1319 O OE1 . GLU A 1 166 ? -17.911 -5.084 10.544 1.00 83.38 ? 166 GLU A OE1 1 Q76EI6 UNP 166 E +ATOM 1320 O OE2 . GLU A 1 166 ? -15.898 -5.699 11.189 1.00 83.38 ? 166 GLU A OE2 1 Q76EI6 UNP 166 E +ATOM 1321 N N . ASN A 1 167 ? -19.035 -4.586 15.762 1.00 84.19 ? 167 ASN A N 1 Q76EI6 UNP 167 N +ATOM 1322 C CA . ASN A 1 167 ? -20.380 -4.240 16.249 1.00 84.19 ? 167 ASN A CA 1 Q76EI6 UNP 167 N +ATOM 1323 C C . ASN A 1 167 ? -20.404 -2.875 16.955 1.00 84.19 ? 167 ASN A C 1 Q76EI6 UNP 167 N +ATOM 1324 C CB . ASN A 1 167 ? -20.917 -5.371 17.150 1.00 84.19 ? 167 ASN A CB 1 Q76EI6 UNP 167 N +ATOM 1325 O O . ASN A 1 167 ? -20.336 -2.789 18.181 1.00 84.19 ? 167 ASN A O 1 Q76EI6 UNP 167 N +ATOM 1326 C CG . ASN A 1 167 ? -21.371 -6.595 16.377 1.00 84.19 ? 167 ASN A CG 1 Q76EI6 UNP 167 N +ATOM 1327 N ND2 . ASN A 1 167 ? -21.463 -7.733 17.021 1.00 84.19 ? 167 ASN A ND2 1 Q76EI6 UNP 167 N +ATOM 1328 O OD1 . ASN A 1 167 ? -21.688 -6.543 15.203 1.00 84.19 ? 167 ASN A OD1 1 Q76EI6 UNP 167 N +ATOM 1329 N N . PHE A 1 168 ? -20.490 -1.800 16.173 1.00 86.56 ? 168 PHE A N 1 Q76EI6 UNP 168 F +ATOM 1330 C CA . PHE A 1 168 ? -20.541 -0.431 16.690 1.00 86.56 ? 168 PHE A CA 1 Q76EI6 UNP 168 F +ATOM 1331 C C . PHE A 1 168 ? -21.948 -0.037 17.161 1.00 86.56 ? 168 PHE A C 1 Q76EI6 UNP 168 F +ATOM 1332 C CB . PHE A 1 168 ? -20.026 0.541 15.621 1.00 86.56 ? 168 PHE A CB 1 Q76EI6 UNP 168 F +ATOM 1333 O O . PHE A 1 168 ? -22.936 -0.259 16.464 1.00 86.56 ? 168 PHE A O 1 Q76EI6 UNP 168 F +ATOM 1334 C CG . PHE A 1 168 ? -18.612 0.255 15.164 1.00 86.56 ? 168 PHE A CG 1 Q76EI6 UNP 168 F +ATOM 1335 C CD1 . PHE A 1 168 ? -17.522 0.505 16.018 1.00 86.56 ? 168 PHE A CD1 1 Q76EI6 UNP 168 F +ATOM 1336 C CD2 . PHE A 1 168 ? -18.396 -0.359 13.918 1.00 86.56 ? 168 PHE A CD2 1 Q76EI6 UNP 168 F +ATOM 1337 C CE1 . PHE A 1 168 ? -16.220 0.158 15.616 1.00 86.56 ? 168 PHE A CE1 1 Q76EI6 UNP 168 F +ATOM 1338 C CE2 . PHE A 1 168 ? -17.101 -0.736 13.534 1.00 86.56 ? 168 PHE A CE2 1 Q76EI6 UNP 168 F +ATOM 1339 C CZ . PHE A 1 168 ? -16.009 -0.452 14.370 1.00 86.56 ? 168 PHE A CZ 1 Q76EI6 UNP 168 F +ATOM 1340 N N . THR A 1 169 ? -22.031 0.620 18.318 1.00 86.81 ? 169 THR A N 1 Q76EI6 UNP 169 T +ATOM 1341 C CA . THR A 1 169 ? -23.235 1.347 18.757 1.00 86.81 ? 169 THR A CA 1 Q76EI6 UNP 169 T +ATOM 1342 C C . THR A 1 169 ? -23.499 2.555 17.854 1.00 86.81 ? 169 THR A C 1 Q76EI6 UNP 169 T +ATOM 1343 C CB . THR A 1 169 ? -23.117 1.819 20.216 1.00 86.81 ? 169 THR A CB 1 Q76EI6 UNP 169 T +ATOM 1344 O O . THR A 1 169 ? -22.595 3.021 17.160 1.00 86.81 ? 169 THR A O 1 Q76EI6 UNP 169 T +ATOM 1345 C CG2 . THR A 1 169 ? -22.849 0.674 21.192 1.00 86.81 ? 169 THR A CG2 1 Q76EI6 UNP 169 T +ATOM 1346 O OG1 . THR A 1 169 ? -22.066 2.745 20.365 1.00 86.81 ? 169 THR A OG1 1 Q76EI6 UNP 169 T +ATOM 1347 N N . GLN A 1 170 ? -24.710 3.124 17.889 1.00 87.06 ? 170 GLN A N 1 Q76EI6 UNP 170 Q +ATOM 1348 C CA . GLN A 1 170 ? -25.024 4.316 17.086 1.00 87.06 ? 170 GLN A CA 1 Q76EI6 UNP 170 Q +ATOM 1349 C C . GLN A 1 170 ? -24.066 5.482 17.384 1.00 87.06 ? 170 GLN A C 1 Q76EI6 UNP 170 Q +ATOM 1350 C CB . GLN A 1 170 ? -26.487 4.729 17.312 1.00 87.06 ? 170 GLN A CB 1 Q76EI6 UNP 170 Q +ATOM 1351 O O . GLN A 1 170 ? -23.528 6.086 16.462 1.00 87.06 ? 170 GLN A O 1 Q76EI6 UNP 170 Q +ATOM 1352 C CG . GLN A 1 170 ? -26.921 5.849 16.350 1.00 87.06 ? 170 GLN A CG 1 Q76EI6 UNP 170 Q +ATOM 1353 C CD . GLN A 1 170 ? -26.781 5.443 14.886 1.00 87.06 ? 170 GLN A CD 1 Q76EI6 UNP 170 Q +ATOM 1354 N NE2 . GLN A 1 170 ? -26.243 6.283 14.030 1.00 87.06 ? 170 GLN A NE2 1 Q76EI6 UNP 170 Q +ATOM 1355 O OE1 . GLN A 1 170 ? -27.121 4.338 14.493 1.00 87.06 ? 170 GLN A OE1 1 Q76EI6 UNP 170 Q +ATOM 1356 N N . ALA A 1 171 ? -23.759 5.717 18.664 1.00 87.62 ? 171 ALA A N 1 Q76EI6 UNP 171 A +ATOM 1357 C CA . ALA A 1 171 ? -22.797 6.737 19.077 1.00 87.62 ? 171 ALA A CA 1 Q76EI6 UNP 171 A +ATOM 1358 C C . ALA A 1 171 ? -21.386 6.479 18.520 1.00 87.62 ? 171 ALA A C 1 Q76EI6 UNP 171 A +ATOM 1359 C CB . ALA A 1 171 ? -22.778 6.768 20.609 1.00 87.62 ? 171 ALA A CB 1 Q76EI6 UNP 171 A +ATOM 1360 O O . ALA A 1 171 ? -20.674 7.413 18.159 1.00 87.62 ? 171 ALA A O 1 Q76EI6 UNP 171 A +ATOM 1361 N N . GLN A 1 172 ? -20.974 5.211 18.416 1.00 91.00 ? 172 GLN A N 1 Q76EI6 UNP 172 Q +ATOM 1362 C CA . GLN A 1 172 ? -19.721 4.856 17.753 1.00 91.00 ? 172 GLN A CA 1 Q76EI6 UNP 172 Q +ATOM 1363 C C . GLN A 1 172 ? -19.809 5.059 16.237 1.00 91.00 ? 172 GLN A C 1 Q76EI6 UNP 172 Q +ATOM 1364 C CB . GLN A 1 172 ? -19.326 3.416 18.095 1.00 91.00 ? 172 GLN A CB 1 Q76EI6 UNP 172 Q +ATOM 1365 O O . GLN A 1 172 ? -18.865 5.592 15.662 1.00 91.00 ? 172 GLN A O 1 Q76EI6 UNP 172 Q +ATOM 1366 C CG . GLN A 1 172 ? -18.810 3.249 19.533 1.00 91.00 ? 172 GLN A CG 1 Q76EI6 UNP 172 Q +ATOM 1367 C CD . GLN A 1 172 ? -18.662 1.777 19.897 1.00 91.00 ? 172 GLN A CD 1 Q76EI6 UNP 172 Q +ATOM 1368 N NE2 . GLN A 1 172 ? -17.549 1.344 20.438 1.00 91.00 ? 172 GLN A NE2 1 Q76EI6 UNP 172 Q +ATOM 1369 O OE1 . GLN A 1 172 ? -19.563 0.983 19.689 1.00 91.00 ? 172 GLN A OE1 1 Q76EI6 UNP 172 Q +ATOM 1370 N N . LEU A 1 173 ? -20.912 4.688 15.579 1.00 91.44 ? 173 LEU A N 1 Q76EI6 UNP 173 L +ATOM 1371 C CA . LEU A 1 173 ? -21.103 4.877 14.133 1.00 91.44 ? 173 LEU A CA 1 Q76EI6 UNP 173 L +ATOM 1372 C C . LEU A 1 173 ? -21.056 6.352 13.724 1.00 91.44 ? 173 LEU A C 1 Q76EI6 UNP 173 L +ATOM 1373 C CB . LEU A 1 173 ? -22.436 4.252 13.681 1.00 91.44 ? 173 LEU A CB 1 Q76EI6 UNP 173 L +ATOM 1374 O O . LEU A 1 173 ? -20.441 6.671 12.703 1.00 91.44 ? 173 LEU A O 1 Q76EI6 UNP 173 L +ATOM 1375 C CG . LEU A 1 173 ? -22.445 2.717 13.628 1.00 91.44 ? 173 LEU A CG 1 Q76EI6 UNP 173 L +ATOM 1376 C CD1 . LEU A 1 173 ? -23.852 2.222 13.300 1.00 91.44 ? 173 LEU A CD1 1 Q76EI6 UNP 173 L +ATOM 1377 C CD2 . LEU A 1 173 ? -21.494 2.173 12.551 1.00 91.44 ? 173 LEU A CD2 1 Q76EI6 UNP 173 L +ATOM 1378 N N . ASP A 1 174 ? -21.630 7.243 14.531 1.00 91.56 ? 174 ASP A N 1 Q76EI6 UNP 174 D +ATOM 1379 C CA . ASP A 1 174 ? -21.640 8.688 14.274 1.00 91.56 ? 174 ASP A CA 1 Q76EI6 UNP 174 D +ATOM 1380 C C . ASP A 1 174 ? -20.222 9.286 14.223 1.00 91.56 ? 174 ASP A C 1 Q76EI6 UNP 174 D +ATOM 1381 C CB . ASP A 1 174 ? -22.501 9.391 15.336 1.00 91.56 ? 174 ASP A CB 1 Q76EI6 UNP 174 D +ATOM 1382 O O . ASP A 1 174 ? -19.989 10.266 13.516 1.00 91.56 ? 174 ASP A O 1 Q76EI6 UNP 174 D +ATOM 1383 C CG . ASP A 1 174 ? -24.000 9.063 15.236 1.00 91.56 ? 174 ASP A CG 1 Q76EI6 UNP 174 D +ATOM 1384 O OD1 . ASP A 1 174 ? -24.460 8.631 14.150 1.00 91.56 ? 174 ASP A OD1 1 Q76EI6 UNP 174 D +ATOM 1385 O OD2 . ASP A 1 174 ? -24.699 9.265 16.251 1.00 91.56 ? 174 ASP A OD2 1 Q76EI6 UNP 174 D +ATOM 1386 N N . VAL A 1 175 ? -19.254 8.656 14.899 1.00 92.81 ? 175 VAL A N 1 Q76EI6 UNP 175 V +ATOM 1387 C CA . VAL A 1 175 ? -17.831 9.034 14.859 1.00 92.81 ? 175 VAL A CA 1 Q76EI6 UNP 175 V +ATOM 1388 C C . VAL A 1 175 ? -17.057 8.215 13.819 1.00 92.81 ? 175 VAL A C 1 Q76EI6 UNP 175 V +ATOM 1389 C CB . VAL A 1 175 ? -17.196 8.886 16.256 1.00 92.81 ? 175 VAL A CB 1 Q76EI6 UNP 175 V +ATOM 1390 O O . VAL A 1 175 ? -16.270 8.753 13.042 1.00 92.81 ? 175 VAL A O 1 Q76EI6 UNP 175 V +ATOM 1391 C CG1 . VAL A 1 175 ? -15.768 9.441 16.270 1.00 92.81 ? 175 VAL A CG1 1 Q76EI6 UNP 175 V +ATOM 1392 C CG2 . VAL A 1 175 ? -17.972 9.645 17.340 1.00 92.81 ? 175 VAL A CG2 1 Q76EI6 UNP 175 V +ATOM 1393 N N . VAL A 1 176 ? -17.277 6.900 13.777 1.00 94.19 ? 176 VAL A N 1 Q76EI6 UNP 176 V +ATOM 1394 C CA . VAL A 1 176 ? -16.537 5.957 12.928 1.00 94.19 ? 176 VAL A CA 1 Q76EI6 UNP 176 V +ATOM 1395 C C . VAL A 1 176 ? -16.778 6.222 11.452 1.00 94.19 ? 176 VAL A C 1 Q76EI6 UNP 176 V +ATOM 1396 C CB . VAL A 1 176 ? -16.935 4.506 13.261 1.00 94.19 ? 176 VAL A CB 1 Q76EI6 UNP 176 V +ATOM 1397 O O . VAL A 1 176 ? -15.829 6.171 10.677 1.00 94.19 ? 176 VAL A O 1 Q76EI6 UNP 176 V +ATOM 1398 C CG1 . VAL A 1 176 ? -16.450 3.469 12.243 1.00 94.19 ? 176 VAL A CG1 1 Q76EI6 UNP 176 V +ATOM 1399 C CG2 . VAL A 1 176 ? -16.347 4.068 14.593 1.00 94.19 ? 176 VAL A CG2 1 Q76EI6 UNP 176 V +ATOM 1400 N N . LEU A 1 177 ? -18.023 6.461 11.032 1.00 94.81 ? 177 LEU A N 1 Q76EI6 UNP 177 L +ATOM 1401 C CA . LEU A 1 177 ? -18.359 6.551 9.609 1.00 94.81 ? 177 LEU A CA 1 Q76EI6 UNP 177 L +ATOM 1402 C C . LEU A 1 177 ? -17.715 7.770 8.927 1.00 94.81 ? 177 LEU A C 1 Q76EI6 UNP 177 L +ATOM 1403 C CB . LEU A 1 177 ? -19.882 6.491 9.401 1.00 94.81 ? 177 LEU A CB 1 Q76EI6 UNP 177 L +ATOM 1404 O O . LEU A 1 177 ? -17.082 7.567 7.886 1.00 94.81 ? 177 LEU A O 1 Q76EI6 UNP 177 L +ATOM 1405 C CG . LEU A 1 177 ? -20.545 5.162 9.794 1.00 94.81 ? 177 LEU A CG 1 Q76EI6 UNP 177 L +ATOM 1406 C CD1 . LEU A 1 177 ? -22.055 5.362 9.718 1.00 94.81 ? 177 LEU A CD1 1 Q76EI6 UNP 177 L +ATOM 1407 C CD2 . LEU A 1 177 ? -20.138 4.026 8.853 1.00 94.81 ? 177 LEU A CD2 1 Q76EI6 UNP 177 L +ATOM 1408 N N . PRO A 1 178 ? -17.798 9.004 9.472 1.00 96.25 ? 178 PRO A N 1 Q76EI6 UNP 178 P +ATOM 1409 C CA . PRO A 1 178 ? -17.115 10.153 8.876 1.00 96.25 ? 178 PRO A CA 1 Q76EI6 UNP 178 P +ATOM 1410 C C . PRO A 1 178 ? -15.593 9.996 8.861 1.00 96.25 ? 178 PRO A C 1 Q76EI6 UNP 178 P +ATOM 1411 C CB . PRO A 1 178 ? -17.536 11.372 9.705 1.00 96.25 ? 178 PRO A CB 1 Q76EI6 UNP 178 P +ATOM 1412 O O . PRO A 1 178 ? -14.963 10.293 7.848 1.00 96.25 ? 178 PRO A O 1 Q76EI6 UNP 178 P +ATOM 1413 C CG . PRO A 1 178 ? -18.851 10.941 10.345 1.00 96.25 ? 178 PRO A CG 1 Q76EI6 UNP 178 P +ATOM 1414 C CD . PRO A 1 178 ? -18.618 9.458 10.592 1.00 96.25 ? 178 PRO A CD 1 Q76EI6 UNP 178 P +ATOM 1415 N N . VAL A 1 179 ? -14.996 9.474 9.939 1.00 96.00 ? 179 VAL A N 1 Q76EI6 UNP 179 V +ATOM 1416 C CA . VAL A 1 179 ? -13.540 9.261 9.989 1.00 96.00 ? 179 VAL A CA 1 Q76EI6 UNP 179 V +ATOM 1417 C C . VAL A 1 179 ? -13.118 8.178 9.001 1.00 96.00 ? 179 VAL A C 1 Q76EI6 UNP 179 V +ATOM 1418 C CB . VAL A 1 179 ? -13.056 8.929 11.411 1.00 96.00 ? 179 VAL A CB 1 Q76EI6 UNP 179 V +ATOM 1419 O O . VAL A 1 179 ? -12.132 8.333 8.297 1.00 96.00 ? 179 VAL A O 1 Q76EI6 UNP 179 V +ATOM 1420 C CG1 . VAL A 1 179 ? -11.540 8.697 11.414 1.00 96.00 ? 179 VAL A CG1 1 Q76EI6 UNP 179 V +ATOM 1421 C CG2 . VAL A 1 179 ? -13.347 10.086 12.375 1.00 96.00 ? 179 VAL A CG2 1 Q76EI6 UNP 179 V +ATOM 1422 N N . ARG A 1 180 ? -13.893 7.101 8.859 1.00 96.44 ? 180 ARG A N 1 Q76EI6 UNP 180 R +ATOM 1423 C CA . ARG A 1 180 ? -13.649 6.078 7.836 1.00 96.44 ? 180 ARG A CA 1 Q76EI6 UNP 180 R +ATOM 1424 C C . ARG A 1 180 ? -13.685 6.657 6.419 1.00 96.44 ? 180 ARG A C 1 Q76EI6 UNP 180 R +ATOM 1425 C CB . ARG A 1 180 ? -14.660 4.930 8.013 1.00 96.44 ? 180 ARG A CB 1 Q76EI6 UNP 180 R +ATOM 1426 O O . ARG A 1 180 ? -12.846 6.295 5.594 1.00 96.44 ? 180 ARG A O 1 Q76EI6 UNP 180 R +ATOM 1427 C CG . ARG A 1 180 ? -14.160 3.897 9.039 1.00 96.44 ? 180 ARG A CG 1 Q76EI6 UNP 180 R +ATOM 1428 C CD . ARG A 1 180 ? -15.113 2.698 9.078 1.00 96.44 ? 180 ARG A CD 1 Q76EI6 UNP 180 R +ATOM 1429 N NE . ARG A 1 180 ? -14.642 1.641 9.999 1.00 96.44 ? 180 ARG A NE 1 Q76EI6 UNP 180 R +ATOM 1430 N NH1 . ARG A 1 180 ? -16.660 0.623 10.408 1.00 96.44 ? 180 ARG A NH1 1 Q76EI6 UNP 180 R +ATOM 1431 N NH2 . ARG A 1 180 ? -14.809 -0.279 11.230 1.00 96.44 ? 180 ARG A NH2 1 Q76EI6 UNP 180 R +ATOM 1432 C CZ . ARG A 1 180 ? -15.366 0.671 10.537 1.00 96.44 ? 180 ARG A CZ 1 Q76EI6 UNP 180 R +ATOM 1433 N N . LEU A 1 181 ? -14.627 7.552 6.128 1.00 97.38 ? 181 LEU A N 1 Q76EI6 UNP 181 L +ATOM 1434 C CA . LEU A 1 181 ? -14.644 8.262 4.850 1.00 97.38 ? 181 LEU A CA 1 Q76EI6 UNP 181 L +ATOM 1435 C C . LEU A 1 181 ? -13.370 9.103 4.668 1.00 97.38 ? 181 LEU A C 1 Q76EI6 UNP 181 L +ATOM 1436 C CB . LEU A 1 181 ? -15.921 9.114 4.759 1.00 97.38 ? 181 LEU A CB 1 Q76EI6 UNP 181 L +ATOM 1437 O O . LEU A 1 181 ? -12.758 9.050 3.605 1.00 97.38 ? 181 LEU A O 1 Q76EI6 UNP 181 L +ATOM 1438 C CG . LEU A 1 181 ? -16.031 9.914 3.449 1.00 97.38 ? 181 LEU A CG 1 Q76EI6 UNP 181 L +ATOM 1439 C CD1 . LEU A 1 181 ? -16.163 9.000 2.227 1.00 97.38 ? 181 LEU A CD1 1 Q76EI6 UNP 181 L +ATOM 1440 C CD2 . LEU A 1 181 ? -17.250 10.829 3.509 1.00 97.38 ? 181 LEU A CD2 1 Q76EI6 UNP 181 L +ATOM 1441 N N . GLU A 1 182 ? -12.940 9.819 5.706 1.00 97.38 ? 182 GLU A N 1 Q76EI6 UNP 182 E +ATOM 1442 C CA . GLU A 1 182 ? -11.696 10.595 5.701 1.00 97.38 ? 182 GLU A CA 1 Q76EI6 UNP 182 E +ATOM 1443 C C . GLU A 1 182 ? -10.467 9.713 5.422 1.00 97.38 ? 182 GLU A C 1 Q76EI6 UNP 182 E +ATOM 1444 C CB . GLU A 1 182 ? -11.613 11.393 7.012 1.00 97.38 ? 182 GLU A CB 1 Q76EI6 UNP 182 E +ATOM 1445 O O . GLU A 1 182 ? -9.735 10.004 4.476 1.00 97.38 ? 182 GLU A O 1 Q76EI6 UNP 182 E +ATOM 1446 C CG . GLU A 1 182 ? -10.421 12.351 7.099 1.00 97.38 ? 182 GLU A CG 1 Q76EI6 UNP 182 E +ATOM 1447 C CD . GLU A 1 182 ? -9.095 11.657 7.430 1.00 97.38 ? 182 GLU A CD 1 Q76EI6 UNP 182 E +ATOM 1448 O OE1 . GLU A 1 182 ? -8.078 12.059 6.834 1.00 97.38 ? 182 GLU A OE1 1 Q76EI6 UNP 182 E +ATOM 1449 O OE2 . GLU A 1 182 ? -9.060 10.762 8.305 1.00 97.38 ? 182 GLU A OE2 1 Q76EI6 UNP 182 E +ATOM 1450 N N . LEU A 1 183 ? -10.306 8.580 6.118 1.00 97.75 ? 183 LEU A N 1 Q76EI6 UNP 183 L +ATOM 1451 C CA . LEU A 1 183 ? -9.231 7.606 5.867 1.00 97.75 ? 183 LEU A CA 1 Q76EI6 UNP 183 L +ATOM 1452 C C . LEU A 1 183 ? -9.208 7.154 4.400 1.00 97.75 ? 183 LEU A C 1 Q76EI6 UNP 183 L +ATOM 1453 C CB . LEU A 1 183 ? -9.412 6.358 6.757 1.00 97.75 ? 183 LEU A CB 1 Q76EI6 UNP 183 L +ATOM 1454 O O . LEU A 1 183 ? -8.151 7.103 3.771 1.00 97.75 ? 183 LEU A O 1 Q76EI6 UNP 183 L +ATOM 1455 C CG . LEU A 1 183 ? -9.282 6.560 8.275 1.00 97.75 ? 183 LEU A CG 1 Q76EI6 UNP 183 L +ATOM 1456 C CD1 . LEU A 1 183 ? -9.601 5.251 9.002 1.00 97.75 ? 183 LEU A CD1 1 Q76EI6 UNP 183 L +ATOM 1457 C CD2 . LEU A 1 183 ? -7.885 6.969 8.701 1.00 97.75 ? 183 LEU A CD2 1 Q76EI6 UNP 183 L +ATOM 1458 N N . CYS A 1 184 ? -10.376 6.854 3.830 1.00 97.94 ? 184 CYS A N 1 Q76EI6 UNP 184 C +ATOM 1459 C CA . CYS A 1 184 ? -10.493 6.456 2.430 1.00 97.94 ? 184 CYS A CA 1 Q76EI6 UNP 184 C +ATOM 1460 C C . CYS A 1 184 ? -10.033 7.569 1.476 1.00 97.94 ? 184 CYS A C 1 Q76EI6 UNP 184 C +ATOM 1461 C CB . CYS A 1 184 ? -11.953 6.068 2.175 1.00 97.94 ? 184 CYS A CB 1 Q76EI6 UNP 184 C +ATOM 1462 O O . CYS A 1 184 ? -9.318 7.308 0.505 1.00 97.94 ? 184 CYS A O 1 Q76EI6 UNP 184 C +ATOM 1463 S SG . CYS A 1 184 ? -12.182 5.529 0.458 1.00 97.94 ? 184 CYS A SG 1 Q76EI6 UNP 184 C +ATOM 1464 N N . LEU A 1 185 ? -10.436 8.814 1.722 1.00 97.81 ? 185 LEU A N 1 Q76EI6 UNP 185 L +ATOM 1465 C CA . LEU A 1 185 ? -10.099 9.943 0.855 1.00 97.81 ? 185 LEU A CA 1 Q76EI6 UNP 185 L +ATOM 1466 C C . LEU A 1 185 ? -8.621 10.338 0.990 1.00 97.81 ? 185 LEU A C 1 Q76EI6 UNP 185 L +ATOM 1467 C CB . LEU A 1 185 ? -11.054 11.112 1.156 1.00 97.81 ? 185 LEU A CB 1 Q76EI6 UNP 185 L +ATOM 1468 O O . LEU A 1 185 ? -7.915 10.457 -0.013 1.00 97.81 ? 185 LEU A O 1 Q76EI6 UNP 185 L +ATOM 1469 C CG . LEU A 1 185 ? -12.534 10.840 0.809 1.00 97.81 ? 185 LEU A CG 1 Q76EI6 UNP 185 L +ATOM 1470 C CD1 . LEU A 1 185 ? -13.387 12.029 1.252 1.00 97.81 ? 185 LEU A CD1 1 Q76EI6 UNP 185 L +ATOM 1471 C CD2 . LEU A 1 185 ? -12.764 10.613 -0.687 1.00 97.81 ? 185 LEU A CD2 1 Q76EI6 UNP 185 L +ATOM 1472 N N . VAL A 1 186 ? -8.132 10.491 2.219 1.00 98.00 ? 186 VAL A N 1 Q76EI6 UNP 186 V +ATOM 1473 C CA . VAL A 1 186 ? -6.803 11.040 2.520 1.00 98.00 ? 186 VAL A CA 1 Q76EI6 UNP 186 V +ATOM 1474 C C . VAL A 1 186 ? -5.718 9.972 2.488 1.00 98.00 ? 186 VAL A C 1 Q76EI6 UNP 186 V +ATOM 1475 C CB . VAL A 1 186 ? -6.826 11.766 3.880 1.00 98.00 ? 186 VAL A CB 1 Q76EI6 UNP 186 V +ATOM 1476 O O . VAL A 1 186 ? -4.642 10.214 1.945 1.00 98.00 ? 186 VAL A O 1 Q76EI6 UNP 186 V +ATOM 1477 C CG1 . VAL A 1 186 ? -5.453 12.337 4.261 1.00 98.00 ? 186 VAL A CG1 1 Q76EI6 UNP 186 V +ATOM 1478 C CG2 . VAL A 1 186 ? -7.820 12.937 3.825 1.00 98.00 ? 186 VAL A CG2 1 Q76EI6 UNP 186 V +ATOM 1479 N N . LEU A 1 187 ? -5.968 8.777 3.026 1.00 98.06 ? 187 LEU A N 1 Q76EI6 UNP 187 L +ATOM 1480 C CA . LEU A 1 187 ? -4.939 7.738 3.134 1.00 98.06 ? 187 LEU A CA 1 Q76EI6 UNP 187 L +ATOM 1481 C C . LEU A 1 187 ? -4.966 6.702 2.009 1.00 98.06 ? 187 LEU A C 1 Q76EI6 UNP 187 L +ATOM 1482 C CB . LEU A 1 187 ? -4.964 7.064 4.510 1.00 98.06 ? 187 LEU A CB 1 Q76EI6 UNP 187 L +ATOM 1483 O O . LEU A 1 187 ? -4.032 5.906 1.896 1.00 98.06 ? 187 LEU A O 1 Q76EI6 UNP 187 L +ATOM 1484 C CG . LEU A 1 187 ? -4.938 7.978 5.743 1.00 98.06 ? 187 LEU A CG 1 Q76EI6 UNP 187 L +ATOM 1485 C CD1 . LEU A 1 187 ? -4.929 7.080 6.973 1.00 98.06 ? 187 LEU A CD1 1 Q76EI6 UNP 187 L +ATOM 1486 C CD2 . LEU A 1 187 ? -3.700 8.873 5.816 1.00 98.06 ? 187 LEU A CD2 1 Q76EI6 UNP 187 L +ATOM 1487 N N . PHE A 1 188 ? -5.983 6.715 1.148 1.00 98.19 ? 188 PHE A N 1 Q76EI6 UNP 188 F +ATOM 1488 C CA . PHE A 1 188 ? -6.038 5.839 -0.022 1.00 98.19 ? 188 PHE A CA 1 Q76EI6 UNP 188 F +ATOM 1489 C C . PHE A 1 188 ? -6.130 6.604 -1.342 1.00 98.19 ? 188 PHE A C 1 Q76EI6 UNP 188 F +ATOM 1490 C CB . PHE A 1 188 ? -7.135 4.792 0.166 1.00 98.19 ? 188 PHE A CB 1 Q76EI6 UNP 188 F +ATOM 1491 O O . PHE A 1 188 ? -5.229 6.465 -2.171 1.00 98.19 ? 188 PHE A O 1 Q76EI6 UNP 188 F +ATOM 1492 C CG . PHE A 1 188 ? -7.435 4.003 -1.089 1.00 98.19 ? 188 PHE A CG 1 Q76EI6 UNP 188 F +ATOM 1493 C CD1 . PHE A 1 188 ? -8.574 4.305 -1.860 1.00 98.19 ? 188 PHE A CD1 1 Q76EI6 UNP 188 F +ATOM 1494 C CD2 . PHE A 1 188 ? -6.555 2.987 -1.502 1.00 98.19 ? 188 PHE A CD2 1 Q76EI6 UNP 188 F +ATOM 1495 C CE1 . PHE A 1 188 ? -8.834 3.587 -3.039 1.00 98.19 ? 188 PHE A CE1 1 Q76EI6 UNP 188 F +ATOM 1496 C CE2 . PHE A 1 188 ? -6.821 2.268 -2.679 1.00 98.19 ? 188 PHE A CE2 1 Q76EI6 UNP 188 F +ATOM 1497 C CZ . PHE A 1 188 ? -7.957 2.567 -3.446 1.00 98.19 ? 188 PHE A CZ 1 Q76EI6 UNP 188 F +ATOM 1498 N N . PHE A 1 189 ? -7.155 7.436 -1.554 1.00 98.19 ? 189 PHE A N 1 Q76EI6 UNP 189 F +ATOM 1499 C CA . PHE A 1 189 ? -7.337 8.108 -2.848 1.00 98.19 ? 189 PHE A CA 1 Q76EI6 UNP 189 F +ATOM 1500 C C . PHE A 1 189 ? -6.223 9.107 -3.177 1.00 98.19 ? 189 PHE A C 1 Q76EI6 UNP 189 F +ATOM 1501 C CB . PHE A 1 189 ? -8.709 8.785 -2.924 1.00 98.19 ? 189 PHE A CB 1 Q76EI6 UNP 189 F +ATOM 1502 O O . PHE A 1 189 ? -5.789 9.158 -4.331 1.00 98.19 ? 189 PHE A O 1 Q76EI6 UNP 189 F +ATOM 1503 C CG . PHE A 1 189 ? -9.831 7.863 -3.349 1.00 98.19 ? 189 PHE A CG 1 Q76EI6 UNP 189 F +ATOM 1504 C CD1 . PHE A 1 189 ? -9.903 7.437 -4.687 1.00 98.19 ? 189 PHE A CD1 1 Q76EI6 UNP 189 F +ATOM 1505 C CD2 . PHE A 1 189 ? -10.836 7.484 -2.442 1.00 98.19 ? 189 PHE A CD2 1 Q76EI6 UNP 189 F +ATOM 1506 C CE1 . PHE A 1 189 ? -10.971 6.633 -5.118 1.00 98.19 ? 189 PHE A CE1 1 Q76EI6 UNP 189 F +ATOM 1507 C CE2 . PHE A 1 189 ? -11.915 6.694 -2.875 1.00 98.19 ? 189 PHE A CE2 1 Q76EI6 UNP 189 F +ATOM 1508 C CZ . PHE A 1 189 ? -11.987 6.279 -4.215 1.00 98.19 ? 189 PHE A CZ 1 Q76EI6 UNP 189 F +ATOM 1509 N N . VAL A 1 190 ? -5.717 9.862 -2.195 1.00 98.31 ? 190 VAL A N 1 Q76EI6 UNP 190 V +ATOM 1510 C CA . VAL A 1 190 ? -4.568 10.762 -2.406 1.00 98.31 ? 190 VAL A CA 1 Q76EI6 UNP 190 V +ATOM 1511 C C . VAL A 1 190 ? -3.305 9.971 -2.801 1.00 98.31 ? 190 VAL A C 1 Q76EI6 UNP 190 V +ATOM 1512 C CB . VAL A 1 190 ? -4.365 11.724 -1.217 1.00 98.31 ? 190 VAL A CB 1 Q76EI6 UNP 190 V +ATOM 1513 O O . VAL A 1 190 ? -2.796 10.225 -3.899 1.00 98.31 ? 190 VAL A O 1 Q76EI6 UNP 190 V +ATOM 1514 C CG1 . VAL A 1 190 ? -3.022 12.464 -1.281 1.00 98.31 ? 190 VAL A CG1 1 Q76EI6 UNP 190 V +ATOM 1515 C CG2 . VAL A 1 190 ? -5.484 12.766 -1.157 1.00 98.31 ? 190 VAL A CG2 1 Q76EI6 UNP 190 V +ATOM 1516 N N . PRO A 1 191 ? -2.822 8.973 -2.023 1.00 98.31 ? 191 PRO A N 1 Q76EI6 UNP 191 P +ATOM 1517 C CA . PRO A 1 191 ? -1.706 8.121 -2.441 1.00 98.31 ? 191 PRO A CA 1 Q76EI6 UNP 191 P +ATOM 1518 C C . PRO A 1 191 ? -1.916 7.448 -3.800 1.00 98.31 ? 191 PRO A C 1 Q76EI6 UNP 191 P +ATOM 1519 C CB . PRO A 1 191 ? -1.543 7.080 -1.329 1.00 98.31 ? 191 PRO A CB 1 Q76EI6 UNP 191 P +ATOM 1520 O O . PRO A 1 191 ? -1.019 7.483 -4.639 1.00 98.31 ? 191 PRO A O 1 Q76EI6 UNP 191 P +ATOM 1521 C CG . PRO A 1 191 ? -1.978 7.853 -0.096 1.00 98.31 ? 191 PRO A CG 1 Q76EI6 UNP 191 P +ATOM 1522 C CD . PRO A 1 191 ? -3.132 8.699 -0.622 1.00 98.31 ? 191 PRO A CD 1 Q76EI6 UNP 191 P +ATOM 1523 N N . MET A 1 192 ? -3.107 6.901 -4.061 1.00 98.12 ? 192 MET A N 1 Q76EI6 UNP 192 M +ATOM 1524 C CA . MET A 1 192 ? -3.424 6.236 -5.326 1.00 98.12 ? 192 MET A CA 1 Q76EI6 UNP 192 M +ATOM 1525 C C . MET A 1 192 ? -3.323 7.198 -6.516 1.00 98.12 ? 192 MET A C 1 Q76EI6 UNP 192 M +ATOM 1526 C CB . MET A 1 192 ? -4.828 5.618 -5.234 1.00 98.12 ? 192 MET A CB 1 Q76EI6 UNP 192 M +ATOM 1527 O O . MET A 1 192 ? -2.706 6.864 -7.526 1.00 98.12 ? 192 MET A O 1 Q76EI6 UNP 192 M +ATOM 1528 C CG . MET A 1 192 ? -5.170 4.807 -6.489 1.00 98.12 ? 192 MET A CG 1 Q76EI6 UNP 192 M +ATOM 1529 S SD . MET A 1 192 ? -6.823 4.066 -6.493 1.00 98.12 ? 192 MET A SD 1 Q76EI6 UNP 192 M +ATOM 1530 C CE . MET A 1 192 ? -7.836 5.545 -6.752 1.00 98.12 ? 192 MET A CE 1 Q76EI6 UNP 192 M +ATOM 1531 N N . THR A 1 193 ? -3.879 8.405 -6.399 1.00 98.50 ? 193 THR A N 1 Q76EI6 UNP 193 T +ATOM 1532 C CA . THR A 1 193 ? -3.846 9.418 -7.468 1.00 98.50 ? 193 THR A CA 1 Q76EI6 UNP 193 T +ATOM 1533 C C . THR A 1 193 ? -2.414 9.856 -7.769 1.00 98.50 ? 193 THR A C 1 Q76EI6 UNP 193 T +ATOM 1534 C CB . THR A 1 193 ? -4.698 10.638 -7.088 1.00 98.50 ? 193 THR A CB 1 Q76EI6 UNP 193 T +ATOM 1535 O O . THR A 1 193 ? -2.006 9.906 -8.932 1.00 98.50 ? 193 THR A O 1 Q76EI6 UNP 193 T +ATOM 1536 C CG2 . THR A 1 193 ? -4.762 11.678 -8.206 1.00 98.50 ? 193 THR A CG2 1 Q76EI6 UNP 193 T +ATOM 1537 O OG1 . THR A 1 193 ? -6.019 10.222 -6.840 1.00 98.50 ? 193 THR A OG1 1 Q76EI6 UNP 193 T +ATOM 1538 N N . VAL A 1 194 ? -1.620 10.105 -6.723 1.00 98.50 ? 194 VAL A N 1 Q76EI6 UNP 194 V +ATOM 1539 C CA . VAL A 1 194 ? -0.192 10.426 -6.847 1.00 98.50 ? 194 VAL A CA 1 Q76EI6 UNP 194 V +ATOM 1540 C C . VAL A 1 194 ? 0.560 9.282 -7.529 1.00 98.50 ? 194 VAL A C 1 Q76EI6 UNP 194 V +ATOM 1541 C CB . VAL A 1 194 ? 0.400 10.739 -5.461 1.00 98.50 ? 194 VAL A CB 1 Q76EI6 UNP 194 V +ATOM 1542 O O . VAL A 1 194 ? 1.302 9.513 -8.485 1.00 98.50 ? 194 VAL A O 1 Q76EI6 UNP 194 V +ATOM 1543 C CG1 . VAL A 1 194 ? 1.927 10.860 -5.485 1.00 98.50 ? 194 VAL A CG1 1 Q76EI6 UNP 194 V +ATOM 1544 C CG2 . VAL A 1 194 ? -0.157 12.063 -4.922 1.00 98.50 ? 194 VAL A CG2 1 Q76EI6 UNP 194 V +ATOM 1545 N N . THR A 1 195 ? 0.335 8.040 -7.098 1.00 98.31 ? 195 THR A N 1 Q76EI6 UNP 195 T +ATOM 1546 C CA . THR A 1 195 ? 0.938 6.843 -7.694 1.00 98.31 ? 195 THR A CA 1 Q76EI6 UNP 195 T +ATOM 1547 C C . THR A 1 195 ? 0.582 6.696 -9.173 1.00 98.31 ? 195 THR A C 1 Q76EI6 UNP 195 T +ATOM 1548 C CB . THR A 1 195 ? 0.523 5.599 -6.893 1.00 98.31 ? 195 THR A CB 1 Q76EI6 UNP 195 T +ATOM 1549 O O . THR A 1 195 ? 1.483 6.458 -9.979 1.00 98.31 ? 195 THR A O 1 Q76EI6 UNP 195 T +ATOM 1550 C CG2 . THR A 1 195 ? 0.902 4.275 -7.543 1.00 98.31 ? 195 THR A CG2 1 Q76EI6 UNP 195 T +ATOM 1551 O OG1 . THR A 1 195 ? 1.222 5.597 -5.677 1.00 98.31 ? 195 THR A OG1 1 Q76EI6 UNP 195 T +ATOM 1552 N N . ILE A 1 196 ? -0.688 6.873 -9.553 1.00 98.50 ? 196 ILE A N 1 Q76EI6 UNP 196 I +ATOM 1553 C CA . ILE A 1 196 ? -1.145 6.814 -10.952 1.00 98.50 ? 196 ILE A CA 1 Q76EI6 UNP 196 I +ATOM 1554 C C . ILE A 1 196 ? -0.413 7.856 -11.794 1.00 98.50 ? 196 ILE A C 1 Q76EI6 UNP 196 I +ATOM 1555 C CB . ILE A 1 196 ? -2.682 6.983 -11.038 1.00 98.50 ? 196 ILE A CB 1 Q76EI6 UNP 196 I +ATOM 1556 O O . ILE A 1 196 ? 0.179 7.509 -12.818 1.00 98.50 ? 196 ILE A O 1 Q76EI6 UNP 196 I +ATOM 1557 C CG1 . ILE A 1 196 ? -3.387 5.711 -10.515 1.00 98.50 ? 196 ILE A CG1 1 Q76EI6 UNP 196 I +ATOM 1558 C CG2 . ILE A 1 196 ? -3.142 7.259 -12.486 1.00 98.50 ? 196 ILE A CG2 1 Q76EI6 UNP 196 I +ATOM 1559 C CD1 . ILE A 1 196 ? -4.876 5.909 -10.209 1.00 98.50 ? 196 ILE A CD1 1 Q76EI6 UNP 196 I +ATOM 1560 N N . PHE A 1 197 ? -0.393 9.114 -11.351 1.00 98.50 ? 197 PHE A N 1 Q76EI6 UNP 197 F +ATOM 1561 C CA . PHE A 1 197 ? 0.294 10.188 -12.063 1.00 98.50 ? 197 PHE A CA 1 Q76EI6 UNP 197 F +ATOM 1562 C C . PHE A 1 197 ? 1.793 9.897 -12.224 1.00 98.50 ? 197 PHE A C 1 Q76EI6 UNP 197 F +ATOM 1563 C CB . PHE A 1 197 ? 0.064 11.509 -11.319 1.00 98.50 ? 197 PHE A CB 1 Q76EI6 UNP 197 F +ATOM 1564 O O . PHE A 1 197 ? 2.328 9.941 -13.338 1.00 98.50 ? 197 PHE A O 1 Q76EI6 UNP 197 F +ATOM 1565 C CG . PHE A 1 197 ? 0.914 12.639 -11.862 1.00 98.50 ? 197 PHE A CG 1 Q76EI6 UNP 197 F +ATOM 1566 C CD1 . PHE A 1 197 ? 2.109 12.997 -11.210 1.00 98.50 ? 197 PHE A CD1 1 Q76EI6 UNP 197 F +ATOM 1567 C CD2 . PHE A 1 197 ? 0.537 13.299 -13.046 1.00 98.50 ? 197 PHE A CD2 1 Q76EI6 UNP 197 F +ATOM 1568 C CE1 . PHE A 1 197 ? 2.921 14.016 -11.737 1.00 98.50 ? 197 PHE A CE1 1 Q76EI6 UNP 197 F +ATOM 1569 C CE2 . PHE A 1 197 ? 1.346 14.322 -13.569 1.00 98.50 ? 197 PHE A CE2 1 Q76EI6 UNP 197 F +ATOM 1570 C CZ . PHE A 1 197 ? 2.537 14.682 -12.914 1.00 98.50 ? 197 PHE A CZ 1 Q76EI6 UNP 197 F +ATOM 1571 N N . CYS A 1 198 ? 2.472 9.551 -11.128 1.00 98.44 ? 198 CYS A N 1 Q76EI6 UNP 198 C +ATOM 1572 C CA . CYS A 1 198 ? 3.904 9.275 -11.137 1.00 98.44 ? 198 CYS A CA 1 Q76EI6 UNP 198 C +ATOM 1573 C C . CYS A 1 198 ? 4.250 8.093 -12.043 1.00 98.44 ? 198 CYS A C 1 Q76EI6 UNP 198 C +ATOM 1574 C CB . CYS A 1 198 ? 4.387 9.021 -9.705 1.00 98.44 ? 198 CYS A CB 1 Q76EI6 UNP 198 C +ATOM 1575 O O . CYS A 1 198 ? 5.191 8.196 -12.833 1.00 98.44 ? 198 CYS A O 1 Q76EI6 UNP 198 C +ATOM 1576 S SG . CYS A 1 198 ? 4.432 10.575 -8.773 1.00 98.44 ? 198 CYS A SG 1 Q76EI6 UNP 198 C +ATOM 1577 N N . TYR A 1 199 ? 3.499 6.989 -11.981 1.00 97.75 ? 199 TYR A N 1 Q76EI6 UNP 199 Y +ATOM 1578 C CA . TYR A 1 199 ? 3.775 5.826 -12.821 1.00 97.75 ? 199 TYR A CA 1 Q76EI6 UNP 199 Y +ATOM 1579 C C . TYR A 1 199 ? 3.408 6.032 -14.281 1.00 97.75 ? 199 TYR A C 1 Q76EI6 UNP 199 Y +ATOM 1580 C CB . TYR A 1 199 ? 3.127 4.552 -12.283 1.00 97.75 ? 199 TYR A CB 1 Q76EI6 UNP 199 Y +ATOM 1581 O O . TYR A 1 199 ? 4.154 5.569 -15.144 1.00 97.75 ? 199 TYR A O 1 Q76EI6 UNP 199 Y +ATOM 1582 C CG . TYR A 1 199 ? 3.983 3.853 -11.250 1.00 97.75 ? 199 TYR A CG 1 Q76EI6 UNP 199 Y +ATOM 1583 C CD1 . TYR A 1 199 ? 5.306 3.474 -11.551 1.00 97.75 ? 199 TYR A CD1 1 Q76EI6 UNP 199 Y +ATOM 1584 C CD2 . TYR A 1 199 ? 3.452 3.577 -9.987 1.00 97.75 ? 199 TYR A CD2 1 Q76EI6 UNP 199 Y +ATOM 1585 C CE1 . TYR A 1 199 ? 6.106 2.840 -10.584 1.00 97.75 ? 199 TYR A CE1 1 Q76EI6 UNP 199 Y +ATOM 1586 C CE2 . TYR A 1 199 ? 4.244 2.939 -9.019 1.00 97.75 ? 199 TYR A CE2 1 Q76EI6 UNP 199 Y +ATOM 1587 O OH . TYR A 1 199 ? 6.324 1.931 -8.375 1.00 97.75 ? 199 TYR A OH 1 Q76EI6 UNP 199 Y +ATOM 1588 C CZ . TYR A 1 199 ? 5.571 2.567 -9.310 1.00 97.75 ? 199 TYR A CZ 1 Q76EI6 UNP 199 Y +ATOM 1589 N N . TRP A 1 200 ? 2.332 6.762 -14.577 1.00 98.06 ? 200 TRP A N 1 Q76EI6 UNP 200 W +ATOM 1590 C CA . TRP A 1 200 ? 2.012 7.139 -15.949 1.00 98.06 ? 200 TRP A CA 1 Q76EI6 UNP 200 W +ATOM 1591 C C . TRP A 1 200 ? 3.176 7.905 -16.583 1.00 98.06 ? 200 TRP A C 1 Q76EI6 UNP 200 W +ATOM 1592 C CB . TRP A 1 200 ? 0.724 7.966 -15.975 1.00 98.06 ? 200 TRP A CB 1 Q76EI6 UNP 200 W +ATOM 1593 O O . TRP A 1 200 ? 3.690 7.502 -17.629 1.00 98.06 ? 200 TRP A O 1 Q76EI6 UNP 200 W +ATOM 1594 C CG . TRP A 1 200 ? 0.396 8.570 -17.304 1.00 98.06 ? 200 TRP A CG 1 Q76EI6 UNP 200 W +ATOM 1595 C CD1 . TRP A 1 200 ? 0.641 8.015 -18.516 1.00 98.06 ? 200 TRP A CD1 1 Q76EI6 UNP 200 W +ATOM 1596 C CD2 . TRP A 1 200 ? -0.247 9.851 -17.576 1.00 98.06 ? 200 TRP A CD2 1 Q76EI6 UNP 200 W +ATOM 1597 C CE2 . TRP A 1 200 ? -0.352 10.008 -18.990 1.00 98.06 ? 200 TRP A CE2 1 Q76EI6 UNP 200 W +ATOM 1598 C CE3 . TRP A 1 200 ? -0.767 10.887 -16.770 1.00 98.06 ? 200 TRP A CE3 1 Q76EI6 UNP 200 W +ATOM 1599 N NE1 . TRP A 1 200 ? 0.212 8.867 -19.512 1.00 98.06 ? 200 TRP A NE1 1 Q76EI6 UNP 200 W +ATOM 1600 C CH2 . TRP A 1 200 ? -1.466 12.139 -18.751 1.00 98.06 ? 200 TRP A CH2 1 Q76EI6 UNP 200 W +ATOM 1601 C CZ2 . TRP A 1 200 ? -0.946 11.131 -19.580 1.00 98.06 ? 200 TRP A CZ2 1 Q76EI6 UNP 200 W +ATOM 1602 C CZ3 . TRP A 1 200 ? -1.374 12.017 -17.352 1.00 98.06 ? 200 TRP A CZ3 1 Q76EI6 UNP 200 W +ATOM 1603 N N . ARG A 1 201 ? 3.670 8.952 -15.909 1.00 98.19 ? 201 ARG A N 1 Q76EI6 UNP 201 R +ATOM 1604 C CA . ARG A 1 201 ? 4.817 9.742 -16.383 1.00 98.19 ? 201 ARG A CA 1 Q76EI6 UNP 201 R +ATOM 1605 C C . ARG A 1 201 ? 6.107 8.925 -16.435 1.00 98.19 ? 201 ARG A C 1 Q76EI6 UNP 201 R +ATOM 1606 C CB . ARG A 1 201 ? 4.991 10.980 -15.493 1.00 98.19 ? 201 ARG A CB 1 Q76EI6 UNP 201 R +ATOM 1607 O O . ARG A 1 201 ? 6.845 9.014 -17.415 1.00 98.19 ? 201 ARG A O 1 Q76EI6 UNP 201 R +ATOM 1608 C CG . ARG A 1 201 ? 3.839 11.998 -15.575 1.00 98.19 ? 201 ARG A CG 1 Q76EI6 UNP 201 R +ATOM 1609 C CD . ARG A 1 201 ? 3.684 12.645 -16.958 1.00 98.19 ? 201 ARG A CD 1 Q76EI6 UNP 201 R +ATOM 1610 N NE . ARG A 1 201 ? 4.870 13.444 -17.334 1.00 98.19 ? 201 ARG A NE 1 Q76EI6 UNP 201 R +ATOM 1611 N NH1 . ARG A 1 201 ? 4.283 13.834 -19.520 1.00 98.19 ? 201 ARG A NH1 1 Q76EI6 UNP 201 R +ATOM 1612 N NH2 . ARG A 1 201 ? 6.164 14.721 -18.705 1.00 98.19 ? 201 ARG A NH2 1 Q76EI6 UNP 201 R +ATOM 1613 C CZ . ARG A 1 201 ? 5.100 13.991 -18.515 1.00 98.19 ? 201 ARG A CZ 1 Q76EI6 UNP 201 R +ATOM 1614 N N . PHE A 1 202 ? 6.376 8.109 -15.419 1.00 97.44 ? 202 PHE A N 1 Q76EI6 UNP 202 F +ATOM 1615 C CA . PHE A 1 202 ? 7.546 7.229 -15.362 1.00 97.44 ? 202 PHE A CA 1 Q76EI6 UNP 202 F +ATOM 1616 C C . PHE A 1 202 ? 7.588 6.248 -16.540 1.00 97.44 ? 202 PHE A C 1 Q76EI6 UNP 202 F +ATOM 1617 C CB . PHE A 1 202 ? 7.522 6.475 -14.028 1.00 97.44 ? 202 PHE A CB 1 Q76EI6 UNP 202 F +ATOM 1618 O O . PHE A 1 202 ? 8.617 6.131 -17.209 1.00 97.44 ? 202 PHE A O 1 Q76EI6 UNP 202 F +ATOM 1619 C CG . PHE A 1 202 ? 8.540 5.364 -13.884 1.00 97.44 ? 202 PHE A CG 1 Q76EI6 UNP 202 F +ATOM 1620 C CD1 . PHE A 1 202 ? 8.134 4.019 -13.912 1.00 97.44 ? 202 PHE A CD1 1 Q76EI6 UNP 202 F +ATOM 1621 C CD2 . PHE A 1 202 ? 9.891 5.671 -13.669 1.00 97.44 ? 202 PHE A CD2 1 Q76EI6 UNP 202 F +ATOM 1622 C CE1 . PHE A 1 202 ? 9.065 2.995 -13.682 1.00 97.44 ? 202 PHE A CE1 1 Q76EI6 UNP 202 F +ATOM 1623 C CE2 . PHE A 1 202 ? 10.834 4.646 -13.490 1.00 97.44 ? 202 PHE A CE2 1 Q76EI6 UNP 202 F +ATOM 1624 C CZ . PHE A 1 202 ? 10.422 3.303 -13.494 1.00 97.44 ? 202 PHE A CZ 1 Q76EI6 UNP 202 F +ATOM 1625 N N . VAL A 1 203 ? 6.473 5.571 -16.827 1.00 97.19 ? 203 VAL A N 1 Q76EI6 UNP 203 V +ATOM 1626 C CA . VAL A 1 203 ? 6.362 4.630 -17.948 1.00 97.19 ? 203 VAL A CA 1 Q76EI6 UNP 203 V +ATOM 1627 C C . VAL A 1 203 ? 6.458 5.367 -19.281 1.00 97.19 ? 203 VAL A C 1 Q76EI6 UNP 203 V +ATOM 1628 C CB . VAL A 1 203 ? 5.068 3.799 -17.844 1.00 97.19 ? 203 VAL A CB 1 Q76EI6 UNP 203 V +ATOM 1629 O O . VAL A 1 203 ? 7.228 4.945 -20.141 1.00 97.19 ? 203 VAL A O 1 Q76EI6 UNP 203 V +ATOM 1630 C CG1 . VAL A 1 203 ? 4.813 2.970 -19.108 1.00 97.19 ? 203 VAL A CG1 1 Q76EI6 UNP 203 V +ATOM 1631 C CG2 . VAL A 1 203 ? 5.164 2.819 -16.667 1.00 97.19 ? 203 VAL A CG2 1 Q76EI6 UNP 203 V +ATOM 1632 N N . TRP A 1 204 ? 5.762 6.496 -19.435 1.00 97.88 ? 204 TRP A N 1 Q76EI6 UNP 204 W +ATOM 1633 C CA . TRP A 1 204 ? 5.825 7.317 -20.647 1.00 97.88 ? 204 TRP A CA 1 Q76EI6 UNP 204 W +ATOM 1634 C C . TRP A 1 204 ? 7.262 7.719 -21.003 1.00 97.88 ? 204 TRP A C 1 Q76EI6 UNP 204 W +ATOM 1635 C CB . TRP A 1 204 ? 4.957 8.563 -20.451 1.00 97.88 ? 204 TRP A CB 1 Q76EI6 UNP 204 W +ATOM 1636 O O . TRP A 1 204 ? 7.713 7.513 -22.132 1.00 97.88 ? 204 TRP A O 1 Q76EI6 UNP 204 W +ATOM 1637 C CG . TRP A 1 204 ? 4.943 9.466 -21.639 1.00 97.88 ? 204 TRP A CG 1 Q76EI6 UNP 204 W +ATOM 1638 C CD1 . TRP A 1 204 ? 5.777 10.508 -21.860 1.00 97.88 ? 204 TRP A CD1 1 Q76EI6 UNP 204 W +ATOM 1639 C CD2 . TRP A 1 204 ? 4.093 9.369 -22.820 1.00 97.88 ? 204 TRP A CD2 1 Q76EI6 UNP 204 W +ATOM 1640 C CE2 . TRP A 1 204 ? 4.467 10.406 -23.725 1.00 97.88 ? 204 TRP A CE2 1 Q76EI6 UNP 204 W +ATOM 1641 C CE3 . TRP A 1 204 ? 3.055 8.500 -23.218 1.00 97.88 ? 204 TRP A CE3 1 Q76EI6 UNP 204 W +ATOM 1642 N NE1 . TRP A 1 204 ? 5.497 11.067 -23.092 1.00 97.88 ? 204 TRP A NE1 1 Q76EI6 UNP 204 W +ATOM 1643 C CH2 . TRP A 1 204 ? 2.797 9.707 -25.327 1.00 97.88 ? 204 TRP A CH2 1 Q76EI6 UNP 204 W +ATOM 1644 C CZ2 . TRP A 1 204 ? 3.836 10.581 -24.963 1.00 97.88 ? 204 TRP A CZ2 1 Q76EI6 UNP 204 W +ATOM 1645 C CZ3 . TRP A 1 204 ? 2.412 8.670 -24.459 1.00 97.88 ? 204 TRP A CZ3 1 Q76EI6 UNP 204 W +ATOM 1646 N N . ILE A 1 205 ? 8.022 8.228 -20.028 1.00 96.44 ? 205 ILE A N 1 Q76EI6 UNP 205 I +ATOM 1647 C CA . ILE A 1 205 ? 9.427 8.607 -20.227 1.00 96.44 ? 205 ILE A CA 1 Q76EI6 UNP 205 I +ATOM 1648 C C . ILE A 1 205 ? 10.259 7.373 -20.599 1.00 96.44 ? 205 ILE A C 1 Q76EI6 UNP 205 I +ATOM 1649 C CB . ILE A 1 205 ? 9.970 9.335 -18.976 1.00 96.44 ? 205 ILE A CB 1 Q76EI6 UNP 205 I +ATOM 1650 O O . ILE A 1 205 ? 11.015 7.400 -21.564 1.00 96.44 ? 205 ILE A O 1 Q76EI6 UNP 205 I +ATOM 1651 C CG1 . ILE A 1 205 ? 9.258 10.699 -18.803 1.00 96.44 ? 205 ILE A CG1 1 Q76EI6 UNP 205 I +ATOM 1652 C CG2 . ILE A 1 205 ? 11.494 9.554 -19.080 1.00 96.44 ? 205 ILE A CG2 1 Q76EI6 UNP 205 I +ATOM 1653 C CD1 . ILE A 1 205 ? 9.447 11.317 -17.413 1.00 96.44 ? 205 ILE A CD1 1 Q76EI6 UNP 205 I +ATOM 1654 N N . MET A 1 206 ? 10.097 6.251 -19.897 1.00 94.56 ? 206 MET A N 1 Q76EI6 UNP 206 M +ATOM 1655 C CA . MET A 1 206 ? 10.870 5.037 -20.192 1.00 94.56 ? 206 MET A CA 1 Q76EI6 UNP 206 M +ATOM 1656 C C . MET A 1 206 ? 10.604 4.462 -21.590 1.00 94.56 ? 206 MET A C 1 Q76EI6 UNP 206 M +ATOM 1657 C CB . MET A 1 206 ? 10.583 3.975 -19.126 1.00 94.56 ? 206 MET A CB 1 Q76EI6 UNP 206 M +ATOM 1658 O O . MET A 1 206 ? 11.510 3.874 -22.182 1.00 94.56 ? 206 MET A O 1 Q76EI6 UNP 206 M +ATOM 1659 C CG . MET A 1 206 ? 11.273 4.293 -17.798 1.00 94.56 ? 206 MET A CG 1 Q76EI6 UNP 206 M +ATOM 1660 S SD . MET A 1 206 ? 13.086 4.156 -17.837 1.00 94.56 ? 206 MET A SD 1 Q76EI6 UNP 206 M +ATOM 1661 C CE . MET A 1 206 ? 13.391 3.919 -16.074 1.00 94.56 ? 206 MET A CE 1 Q76EI6 UNP 206 M +ATOM 1662 N N . LEU A 1 207 ? 9.386 4.606 -22.119 1.00 95.31 ? 207 LEU A N 1 Q76EI6 UNP 207 L +ATOM 1663 C CA . LEU A 1 207 ? 9.012 4.097 -23.443 1.00 95.31 ? 207 LEU A CA 1 Q76EI6 UNP 207 L +ATOM 1664 C C . LEU A 1 207 ? 9.429 5.030 -24.587 1.00 95.31 ? 207 LEU A C 1 Q76EI6 UNP 207 L +ATOM 1665 C CB . LEU A 1 207 ? 7.499 3.824 -23.472 1.00 95.31 ? 207 LEU A CB 1 Q76EI6 UNP 207 L +ATOM 1666 O O . LEU A 1 207 ? 9.761 4.545 -25.670 1.00 95.31 ? 207 LEU A O 1 Q76EI6 UNP 207 L +ATOM 1667 C CG . LEU A 1 207 ? 7.029 2.676 -22.558 1.00 95.31 ? 207 LEU A CG 1 Q76EI6 UNP 207 L +ATOM 1668 C CD1 . LEU A 1 207 ? 5.512 2.535 -22.663 1.00 95.31 ? 207 LEU A CD1 1 Q76EI6 UNP 207 L +ATOM 1669 C CD2 . LEU A 1 207 ? 7.668 1.332 -22.919 1.00 95.31 ? 207 LEU A CD2 1 Q76EI6 UNP 207 L +ATOM 1670 N N . THR A 1 208 ? 9.457 6.340 -24.350 1.00 95.56 ? 208 THR A N 1 Q76EI6 UNP 208 T +ATOM 1671 C CA . THR A 1 208 ? 9.818 7.343 -25.369 1.00 95.56 ? 208 THR A CA 1 Q76EI6 UNP 208 T +ATOM 1672 C C . THR A 1 208 ? 11.329 7.524 -25.536 1.00 95.56 ? 208 THR A C 1 Q76EI6 UNP 208 T +ATOM 1673 C CB . THR A 1 208 ? 9.149 8.695 -25.073 1.00 95.56 ? 208 THR A CB 1 Q76EI6 UNP 208 T +ATOM 1674 O O . THR A 1 208 ? 11.779 7.950 -26.592 1.00 95.56 ? 208 THR A O 1 Q76EI6 UNP 208 T +ATOM 1675 C CG2 . THR A 1 208 ? 7.633 8.634 -25.271 1.00 95.56 ? 208 THR A CG2 1 Q76EI6 UNP 208 T +ATOM 1676 O OG1 . THR A 1 208 ? 9.377 9.084 -23.737 1.00 95.56 ? 208 THR A OG1 1 Q76EI6 UNP 208 T +ATOM 1677 N N . GLN A 1 209 ? 12.140 7.161 -24.537 1.00 92.88 ? 209 GLN A N 1 Q76EI6 UNP 209 Q +ATOM 1678 C CA . GLN A 1 209 ? 13.593 7.372 -24.563 1.00 92.88 ? 209 GLN A CA 1 Q76EI6 UNP 209 Q +ATOM 1679 C C . GLN A 1 209 ? 14.348 6.261 -25.330 1.00 92.88 ? 209 GLN A C 1 Q76EI6 UNP 209 Q +ATOM 1680 C CB . GLN A 1 209 ? 14.092 7.489 -23.117 1.00 92.88 ? 209 GLN A CB 1 Q76EI6 UNP 209 Q +ATOM 1681 O O . GLN A 1 209 ? 14.417 5.127 -24.837 1.00 92.88 ? 209 GLN A O 1 Q76EI6 UNP 209 Q +ATOM 1682 C CG . GLN A 1 209 ? 13.632 8.792 -22.444 1.00 92.88 ? 209 GLN A CG 1 Q76EI6 UNP 209 Q +ATOM 1683 C CD . GLN A 1 209 ? 14.265 10.028 -23.056 1.00 92.88 ? 209 GLN A CD 1 Q76EI6 UNP 209 Q +ATOM 1684 N NE2 . GLN A 1 209 ? 13.505 11.075 -23.282 1.00 92.88 ? 209 GLN A NE2 1 Q76EI6 UNP 209 Q +ATOM 1685 O OE1 . GLN A 1 209 ? 15.446 10.058 -23.354 1.00 92.88 ? 209 GLN A OE1 1 Q76EI6 UNP 209 Q +ATOM 1686 N N . PRO A 1 210 ? 14.979 6.541 -26.492 1.00 89.81 ? 210 PRO A N 1 Q76EI6 UNP 210 P +ATOM 1687 C CA . PRO A 1 210 ? 15.531 5.517 -27.393 1.00 89.81 ? 210 PRO A CA 1 Q76EI6 UNP 210 P +ATOM 1688 C C . PRO A 1 210 ? 16.677 4.704 -26.774 1.00 89.81 ? 210 PRO A C 1 Q76EI6 UNP 210 P +ATOM 1689 C CB . PRO A 1 210 ? 15.986 6.277 -28.646 1.00 89.81 ? 210 PRO A CB 1 Q76EI6 UNP 210 P +ATOM 1690 O O . PRO A 1 210 ? 16.792 3.509 -27.023 1.00 89.81 ? 210 PRO A O 1 Q76EI6 UNP 210 P +ATOM 1691 C CG . PRO A 1 210 ? 16.248 7.695 -28.144 1.00 89.81 ? 210 PRO A CG 1 Q76EI6 UNP 210 P +ATOM 1692 C CD . PRO A 1 210 ? 15.189 7.869 -27.059 1.00 89.81 ? 210 PRO A CD 1 Q76EI6 UNP 210 P +ATOM 1693 N N . HIS A 1 211 ? 17.473 5.308 -25.890 1.00 91.25 ? 211 HIS A N 1 Q76EI6 UNP 211 H +ATOM 1694 C CA . HIS A 1 211 ? 18.622 4.653 -25.252 1.00 91.25 ? 211 HIS A CA 1 Q76EI6 UNP 211 H +ATOM 1695 C C . HIS A 1 211 ? 18.255 3.722 -24.080 1.00 91.25 ? 211 HIS A C 1 Q76EI6 UNP 211 H +ATOM 1696 C CB . HIS A 1 211 ? 19.629 5.731 -24.830 1.00 91.25 ? 211 HIS A CB 1 Q76EI6 UNP 211 H +ATOM 1697 O O . HIS A 1 211 ? 19.127 3.094 -23.476 1.00 91.25 ? 211 HIS A O 1 Q76EI6 UNP 211 H +ATOM 1698 C CG . HIS A 1 211 ? 20.065 6.602 -25.980 1.00 91.25 ? 211 HIS A CG 1 Q76EI6 UNP 211 H +ATOM 1699 C CD2 . HIS A 1 211 ? 19.823 7.942 -26.127 1.00 91.25 ? 211 HIS A CD2 1 Q76EI6 UNP 211 H +ATOM 1700 N ND1 . HIS A 1 211 ? 20.746 6.187 -27.104 1.00 91.25 ? 211 HIS A ND1 1 Q76EI6 UNP 211 H +ATOM 1701 C CE1 . HIS A 1 211 ? 20.911 7.252 -27.907 1.00 91.25 ? 211 HIS A CE1 1 Q76EI6 UNP 211 H +ATOM 1702 N NE2 . HIS A 1 211 ? 20.354 8.338 -27.353 1.00 91.25 ? 211 HIS A NE2 1 Q76EI6 UNP 211 H +ATOM 1703 N N . VAL A 1 212 ? 16.973 3.612 -23.710 1.00 91.12 ? 212 VAL A N 1 Q76EI6 UNP 212 V +ATOM 1704 C CA . VAL A 1 212 ? 16.538 2.712 -22.632 1.00 91.12 ? 212 VAL A CA 1 Q76EI6 UNP 212 V +ATOM 1705 C C . VAL A 1 212 ? 16.379 1.295 -23.179 1.00 91.12 ? 212 VAL A C 1 Q76EI6 UNP 212 V +ATOM 1706 C CB . VAL A 1 212 ? 15.247 3.205 -21.950 1.00 91.12 ? 212 VAL A CB 1 Q76EI6 UNP 212 V +ATOM 1707 O O . VAL A 1 212 ? 15.411 0.997 -23.874 1.00 91.12 ? 212 VAL A O 1 Q76EI6 UNP 212 V +ATOM 1708 C CG1 . VAL A 1 212 ? 14.864 2.304 -20.766 1.00 91.12 ? 212 VAL A CG1 1 Q76EI6 UNP 212 V +ATOM 1709 C CG2 . VAL A 1 212 ? 15.432 4.613 -21.374 1.00 91.12 ? 212 VAL A CG2 1 Q76EI6 UNP 212 V +ATOM 1710 N N . GLY A 1 213 ? 17.293 0.395 -22.806 1.00 92.88 ? 213 GLY A N 1 Q76EI6 UNP 213 G +ATOM 1711 C CA . GLY A 1 213 ? 17.244 -1.011 -23.220 1.00 92.88 ? 213 GLY A CA 1 Q76EI6 UNP 213 G +ATOM 1712 C C . GLY A 1 213 ? 15.959 -1.747 -22.806 1.00 92.88 ? 213 GLY A C 1 Q76EI6 UNP 213 G +ATOM 1713 O O . GLY A 1 213 ? 15.370 -1.477 -21.751 1.00 92.88 ? 213 GLY A O 1 Q76EI6 UNP 213 G +ATOM 1714 N N . ALA A 1 214 ? 15.553 -2.735 -23.611 1.00 93.44 ? 214 ALA A N 1 Q76EI6 UNP 214 A +ATOM 1715 C CA . ALA A 1 214 ? 14.280 -3.456 -23.482 1.00 93.44 ? 214 ALA A CA 1 Q76EI6 UNP 214 A +ATOM 1716 C C . ALA A 1 214 ? 14.034 -4.052 -22.082 1.00 93.44 ? 214 ALA A C 1 Q76EI6 UNP 214 A +ATOM 1717 C CB . ALA A 1 214 ? 14.251 -4.554 -24.553 1.00 93.44 ? 214 ALA A CB 1 Q76EI6 UNP 214 A +ATOM 1718 O O . ALA A 1 214 ? 12.938 -3.936 -21.533 1.00 93.44 ? 214 ALA A O 1 Q76EI6 UNP 214 A +ATOM 1719 N N . GLN A 1 215 ? 15.064 -4.625 -21.447 1.00 91.06 ? 215 GLN A N 1 Q76EI6 UNP 215 Q +ATOM 1720 C CA . GLN A 1 215 ? 14.942 -5.193 -20.099 1.00 91.06 ? 215 GLN A CA 1 Q76EI6 UNP 215 Q +ATOM 1721 C C . GLN A 1 215 ? 14.588 -4.130 -19.045 1.00 91.06 ? 215 GLN A C 1 Q76EI6 UNP 215 Q +ATOM 1722 C CB . GLN A 1 215 ? 16.254 -5.901 -19.728 1.00 91.06 ? 215 GLN A CB 1 Q76EI6 UNP 215 Q +ATOM 1723 O O . GLN A 1 215 ? 13.817 -4.400 -18.122 1.00 91.06 ? 215 GLN A O 1 Q76EI6 UNP 215 Q +ATOM 1724 C CG . GLN A 1 215 ? 16.115 -6.749 -18.451 1.00 91.06 ? 215 GLN A CG 1 Q76EI6 UNP 215 Q +ATOM 1725 C CD . GLN A 1 215 ? 17.432 -7.388 -18.024 1.00 91.06 ? 215 GLN A CD 1 Q76EI6 UNP 215 Q +ATOM 1726 N NE2 . GLN A 1 215 ? 17.422 -8.478 -17.294 1.00 91.06 ? 215 GLN A NE2 1 Q76EI6 UNP 215 Q +ATOM 1727 O OE1 . GLN A 1 215 ? 18.508 -6.894 -18.265 1.00 91.06 ? 215 GLN A OE1 1 Q76EI6 UNP 215 Q +ATOM 1728 N N . ARG A 1 216 ? 15.137 -2.914 -19.166 1.00 91.00 ? 216 ARG A N 1 Q76EI6 UNP 216 R +ATOM 1729 C CA . ARG A 1 216 ? 14.843 -1.808 -18.245 1.00 91.00 ? 216 ARG A CA 1 Q76EI6 UNP 216 R +ATOM 1730 C C . ARG A 1 216 ? 13.433 -1.269 -18.470 1.00 91.00 ? 216 ARG A C 1 Q76EI6 UNP 216 R +ATOM 1731 C CB . ARG A 1 216 ? 15.924 -0.723 -18.372 1.00 91.00 ? 216 ARG A CB 1 Q76EI6 UNP 216 R +ATOM 1732 O O . ARG A 1 216 ? 12.735 -1.050 -17.484 1.00 91.00 ? 216 ARG A O 1 Q76EI6 UNP 216 R +ATOM 1733 C CG . ARG A 1 216 ? 15.774 0.371 -17.301 1.00 91.00 ? 216 ARG A CG 1 Q76EI6 UNP 216 R +ATOM 1734 C CD . ARG A 1 216 ? 16.965 1.335 -17.354 1.00 91.00 ? 216 ARG A CD 1 Q76EI6 UNP 216 R +ATOM 1735 N NE . ARG A 1 216 ? 16.873 2.380 -16.315 1.00 91.00 ? 216 ARG A NE 1 Q76EI6 UNP 216 R +ATOM 1736 N NH1 . ARG A 1 216 ? 18.556 3.736 -17.108 1.00 91.00 ? 216 ARG A NH1 1 Q76EI6 UNP 216 R +ATOM 1737 N NH2 . ARG A 1 216 ? 17.434 4.333 -15.279 1.00 91.00 ? 216 ARG A NH2 1 Q76EI6 UNP 216 R +ATOM 1738 C CZ . ARG A 1 216 ? 17.619 3.471 -16.239 1.00 91.00 ? 216 ARG A CZ 1 Q76EI6 UNP 216 R +ATOM 1739 N N . ARG A 1 217 ? 12.995 -1.153 -19.731 1.00 94.00 ? 217 ARG A N 1 Q76EI6 UNP 217 R +ATOM 1740 C CA . ARG A 1 217 ? 11.607 -0.798 -20.082 1.00 94.00 ? 217 ARG A CA 1 Q76EI6 UNP 217 R +ATOM 1741 C C . ARG A 1 217 ? 10.611 -1.797 -19.498 1.00 94.00 ? 217 ARG A C 1 Q76EI6 UNP 217 R +ATOM 1742 C CB . ARG A 1 217 ? 11.420 -0.713 -21.606 1.00 94.00 ? 217 ARG A CB 1 Q76EI6 UNP 217 R +ATOM 1743 O O . ARG A 1 217 ? 9.710 -1.400 -18.769 1.00 94.00 ? 217 ARG A O 1 Q76EI6 UNP 217 R +ATOM 1744 C CG . ARG A 1 217 ? 12.263 0.378 -22.278 1.00 94.00 ? 217 ARG A CG 1 Q76EI6 UNP 217 R +ATOM 1745 C CD . ARG A 1 217 ? 11.903 0.458 -23.762 1.00 94.00 ? 217 ARG A CD 1 Q76EI6 UNP 217 R +ATOM 1746 N NE . ARG A 1 217 ? 12.648 1.516 -24.465 1.00 94.00 ? 217 ARG A NE 1 Q76EI6 UNP 217 R +ATOM 1747 N NH1 . ARG A 1 217 ? 11.025 2.032 -26.009 1.00 94.00 ? 217 ARG A NH1 1 Q76EI6 UNP 217 R +ATOM 1748 N NH2 . ARG A 1 217 ? 12.846 3.249 -25.944 1.00 94.00 ? 217 ARG A NH2 1 Q76EI6 UNP 217 R +ATOM 1749 C CZ . ARG A 1 217 ? 12.181 2.253 -25.458 1.00 94.00 ? 217 ARG A CZ 1 Q76EI6 UNP 217 R +ATOM 1750 N N . ARG A 1 218 ? 10.830 -3.100 -19.717 1.00 93.81 ? 218 ARG A N 1 Q76EI6 UNP 218 R +ATOM 1751 C CA . ARG A 1 218 ? 9.969 -4.169 -19.177 1.00 93.81 ? 218 ARG A CA 1 Q76EI6 UNP 218 R +ATOM 1752 C C . ARG A 1 218 ? 9.874 -4.118 -17.653 1.00 93.81 ? 218 ARG A C 1 Q76EI6 UNP 218 R +ATOM 1753 C CB . ARG A 1 218 ? 10.473 -5.536 -19.670 1.00 93.81 ? 218 ARG A CB 1 Q76EI6 UNP 218 R +ATOM 1754 O O . ARG A 1 218 ? 8.795 -4.306 -17.108 1.00 93.81 ? 218 ARG A O 1 Q76EI6 UNP 218 R +ATOM 1755 C CG . ARG A 1 218 ? 9.520 -6.677 -19.275 1.00 93.81 ? 218 ARG A CG 1 Q76EI6 UNP 218 R +ATOM 1756 C CD . ARG A 1 218 ? 10.000 -8.020 -19.837 1.00 93.81 ? 218 ARG A CD 1 Q76EI6 UNP 218 R +ATOM 1757 N NE . ARG A 1 218 ? 9.095 -9.122 -19.451 1.00 93.81 ? 218 ARG A NE 1 Q76EI6 UNP 218 R +ATOM 1758 N NH1 . ARG A 1 218 ? 10.324 -10.867 -20.311 1.00 93.81 ? 218 ARG A NH1 1 Q76EI6 UNP 218 R +ATOM 1759 N NH2 . ARG A 1 218 ? 8.380 -11.281 -19.305 1.00 93.81 ? 218 ARG A NH2 1 Q76EI6 UNP 218 R +ATOM 1760 C CZ . ARG A 1 218 ? 9.272 -10.413 -19.688 1.00 93.81 ? 218 ARG A CZ 1 Q76EI6 UNP 218 R +ATOM 1761 N N . ARG A 1 219 ? 10.982 -3.838 -16.960 1.00 92.75 ? 219 ARG A N 1 Q76EI6 UNP 219 R +ATOM 1762 C CA . ARG A 1 219 ? 10.979 -3.674 -15.496 1.00 92.75 ? 219 ARG A CA 1 Q76EI6 UNP 219 R +ATOM 1763 C C . ARG A 1 219 ? 10.217 -2.437 -15.044 1.00 92.75 ? 219 ARG A C 1 Q76EI6 UNP 219 R +ATOM 1764 C CB . ARG A 1 219 ? 12.407 -3.611 -14.953 1.00 92.75 ? 219 ARG A CB 1 Q76EI6 UNP 219 R +ATOM 1765 O O . ARG A 1 219 ? 9.504 -2.522 -14.056 1.00 92.75 ? 219 ARG A O 1 Q76EI6 UNP 219 R +ATOM 1766 C CG . ARG A 1 219 ? 13.069 -4.990 -14.926 1.00 92.75 ? 219 ARG A CG 1 Q76EI6 UNP 219 R +ATOM 1767 C CD . ARG A 1 219 ? 14.512 -4.818 -14.454 1.00 92.75 ? 219 ARG A CD 1 Q76EI6 UNP 219 R +ATOM 1768 N NE . ARG A 1 219 ? 15.215 -6.111 -14.388 1.00 92.75 ? 219 ARG A NE 1 Q76EI6 UNP 219 R +ATOM 1769 N NH1 . ARG A 1 219 ? 17.357 -5.295 -14.496 1.00 92.75 ? 219 ARG A NH1 1 Q76EI6 UNP 219 R +ATOM 1770 N NH2 . ARG A 1 219 ? 17.014 -7.495 -14.482 1.00 92.75 ? 219 ARG A NH2 1 Q76EI6 UNP 219 R +ATOM 1771 C CZ . ARG A 1 219 ? 16.519 -6.293 -14.450 1.00 92.75 ? 219 ARG A CZ 1 Q76EI6 UNP 219 R +ATOM 1772 N N . ALA A 1 220 ? 10.366 -1.315 -15.744 1.00 94.31 ? 220 ALA A N 1 Q76EI6 UNP 220 A +ATOM 1773 C CA . ALA A 1 220 ? 9.633 -0.095 -15.430 1.00 94.31 ? 220 ALA A CA 1 Q76EI6 UNP 220 A +ATOM 1774 C C . ALA A 1 220 ? 8.117 -0.300 -15.578 1.00 94.31 ? 220 ALA A C 1 Q76EI6 UNP 220 A +ATOM 1775 C CB . ALA A 1 220 ? 10.152 1.033 -16.329 1.00 94.31 ? 220 ALA A CB 1 Q76EI6 UNP 220 A +ATOM 1776 O O . ALA A 1 220 ? 7.367 0.020 -14.660 1.00 94.31 ? 220 ALA A O 1 Q76EI6 UNP 220 A +ATOM 1777 N N . VAL A 1 221 ? 7.688 -0.910 -16.687 1.00 95.88 ? 221 VAL A N 1 Q76EI6 UNP 221 V +ATOM 1778 C CA . VAL A 1 221 ? 6.280 -1.259 -16.927 1.00 95.88 ? 221 VAL A CA 1 Q76EI6 UNP 221 V +ATOM 1779 C C . VAL A 1 221 ? 5.784 -2.271 -15.893 1.00 95.88 ? 221 VAL A C 1 Q76EI6 UNP 221 V +ATOM 1780 C CB . VAL A 1 221 ? 6.082 -1.788 -18.361 1.00 95.88 ? 221 VAL A CB 1 Q76EI6 UNP 221 V +ATOM 1781 O O . VAL A 1 221 ? 4.748 -2.047 -15.281 1.00 95.88 ? 221 VAL A O 1 Q76EI6 UNP 221 V +ATOM 1782 C CG1 . VAL A 1 221 ? 4.639 -2.241 -18.611 1.00 95.88 ? 221 VAL A CG1 1 Q76EI6 UNP 221 V +ATOM 1783 C CG2 . VAL A 1 221 ? 6.409 -0.707 -19.400 1.00 95.88 ? 221 VAL A CG2 1 Q76EI6 UNP 221 V +ATOM 1784 N N . GLY A 1 222 ? 6.539 -3.344 -15.634 1.00 94.81 ? 222 GLY A N 1 Q76EI6 UNP 222 G +ATOM 1785 C CA . GLY A 1 222 ? 6.174 -4.349 -14.632 1.00 94.81 ? 222 GLY A CA 1 Q76EI6 UNP 222 G +ATOM 1786 C C . GLY A 1 222 ? 6.030 -3.763 -13.226 1.00 94.81 ? 222 GLY A C 1 Q76EI6 UNP 222 G +ATOM 1787 O O . GLY A 1 222 ? 5.061 -4.065 -12.541 1.00 94.81 ? 222 GLY A O 1 Q76EI6 UNP 222 G +ATOM 1788 N N . LEU A 1 223 ? 6.939 -2.868 -12.824 1.00 95.38 ? 223 LEU A N 1 Q76EI6 UNP 223 L +ATOM 1789 C CA . LEU A 1 223 ? 6.860 -2.164 -11.544 1.00 95.38 ? 223 LEU A CA 1 Q76EI6 UNP 223 L +ATOM 1790 C C . LEU A 1 223 ? 5.581 -1.320 -11.435 1.00 95.38 ? 223 LEU A C 1 Q76EI6 UNP 223 L +ATOM 1791 C CB . LEU A 1 223 ? 8.119 -1.289 -11.376 1.00 95.38 ? 223 LEU A CB 1 Q76EI6 UNP 223 L +ATOM 1792 O O . LEU A 1 223 ? 4.897 -1.379 -10.414 1.00 95.38 ? 223 LEU A O 1 Q76EI6 UNP 223 L +ATOM 1793 C CG . LEU A 1 223 ? 8.162 -0.500 -10.057 1.00 95.38 ? 223 LEU A CG 1 Q76EI6 UNP 223 L +ATOM 1794 C CD1 . LEU A 1 223 ? 8.156 -1.425 -8.845 1.00 95.38 ? 223 LEU A CD1 1 Q76EI6 UNP 223 L +ATOM 1795 C CD2 . LEU A 1 223 ? 9.433 0.352 -9.999 1.00 95.38 ? 223 LEU A CD2 1 Q76EI6 UNP 223 L +ATOM 1796 N N . ALA A 1 224 ? 5.253 -0.563 -12.486 1.00 96.50 ? 224 ALA A N 1 Q76EI6 UNP 224 A +ATOM 1797 C CA . ALA A 1 224 ? 4.042 0.249 -12.533 1.00 96.50 ? 224 ALA A CA 1 Q76EI6 UNP 224 A +ATOM 1798 C C . ALA A 1 224 ? 2.780 -0.619 -12.444 1.00 96.50 ? 224 ALA A C 1 Q76EI6 UNP 224 A +ATOM 1799 C CB . ALA A 1 224 ? 4.063 1.082 -13.819 1.00 96.50 ? 224 ALA A CB 1 Q76EI6 UNP 224 A +ATOM 1800 O O . ALA A 1 224 ? 1.933 -0.377 -11.592 1.00 96.50 ? 224 ALA A O 1 Q76EI6 UNP 224 A +ATOM 1801 N N . VAL A 1 225 ? 2.688 -1.667 -13.268 1.00 96.25 ? 225 VAL A N 1 Q76EI6 UNP 225 V +ATOM 1802 C CA . VAL A 1 225 ? 1.536 -2.580 -13.294 1.00 96.25 ? 225 VAL A CA 1 Q76EI6 UNP 225 V +ATOM 1803 C C . VAL A 1 225 ? 1.338 -3.257 -11.942 1.00 96.25 ? 225 VAL A C 1 Q76EI6 UNP 225 V +ATOM 1804 C CB . VAL A 1 225 ? 1.685 -3.619 -14.422 1.00 96.25 ? 225 VAL A CB 1 Q76EI6 UNP 225 V +ATOM 1805 O O . VAL A 1 225 ? 0.233 -3.216 -11.413 1.00 96.25 ? 225 VAL A O 1 Q76EI6 UNP 225 V +ATOM 1806 C CG1 . VAL A 1 225 ? 0.626 -4.726 -14.354 1.00 96.25 ? 225 VAL A CG1 1 Q76EI6 UNP 225 V +ATOM 1807 C CG2 . VAL A 1 225 ? 1.553 -2.944 -15.794 1.00 96.25 ? 225 VAL A CG2 1 Q76EI6 UNP 225 V +ATOM 1808 N N . VAL A 1 226 ? 2.394 -3.824 -11.348 1.00 95.75 ? 226 VAL A N 1 Q76EI6 UNP 226 V +ATOM 1809 C CA . VAL A 1 226 ? 2.300 -4.484 -10.035 1.00 95.75 ? 226 VAL A CA 1 Q76EI6 UNP 226 V +ATOM 1810 C C . VAL A 1 226 ? 1.841 -3.498 -8.964 1.00 95.75 ? 226 VAL A C 1 Q76EI6 UNP 226 V +ATOM 1811 C CB . VAL A 1 226 ? 3.635 -5.149 -9.646 1.00 95.75 ? 226 VAL A CB 1 Q76EI6 UNP 226 V +ATOM 1812 O O . VAL A 1 226 ? 0.936 -3.820 -8.204 1.00 95.75 ? 226 VAL A O 1 Q76EI6 UNP 226 V +ATOM 1813 C CG1 . VAL A 1 226 ? 3.674 -5.632 -8.190 1.00 95.75 ? 226 VAL A CG1 1 Q76EI6 UNP 226 V +ATOM 1814 C CG2 . VAL A 1 226 ? 3.890 -6.376 -10.531 1.00 95.75 ? 226 VAL A CG2 1 Q76EI6 UNP 226 V +ATOM 1815 N N . THR A 1 227 ? 2.402 -2.285 -8.931 1.00 96.06 ? 227 THR A N 1 Q76EI6 UNP 227 T +ATOM 1816 C CA . THR A 1 227 ? 2.008 -1.296 -7.914 1.00 96.06 ? 227 THR A CA 1 Q76EI6 UNP 227 T +ATOM 1817 C C . THR A 1 227 ? 0.555 -0.851 -8.082 1.00 96.06 ? 227 THR A C 1 Q76EI6 UNP 227 T +ATOM 1818 C CB . THR A 1 227 ? 2.897 -0.043 -7.919 1.00 96.06 ? 227 THR A CB 1 Q76EI6 UNP 227 T +ATOM 1819 O O . THR A 1 227 ? -0.172 -0.744 -7.101 1.00 96.06 ? 227 THR A O 1 Q76EI6 UNP 227 T +ATOM 1820 C CG2 . THR A 1 227 ? 2.669 0.767 -6.640 1.00 96.06 ? 227 THR A CG2 1 Q76EI6 UNP 227 T +ATOM 1821 O OG1 . THR A 1 227 ? 4.272 -0.344 -7.985 1.00 96.06 ? 227 THR A OG1 1 Q76EI6 UNP 227 T +ATOM 1822 N N . LEU A 1 228 ? 0.109 -0.602 -9.316 1.00 96.94 ? 228 LEU A N 1 Q76EI6 UNP 228 L +ATOM 1823 C CA . LEU A 1 228 ? -1.259 -0.153 -9.588 1.00 96.94 ? 228 LEU A CA 1 Q76EI6 UNP 228 L +ATOM 1824 C C . LEU A 1 228 ? -2.292 -1.252 -9.324 1.00 96.94 ? 228 LEU A C 1 Q76EI6 UNP 228 L +ATOM 1825 C CB . LEU A 1 228 ? -1.347 0.356 -11.036 1.00 96.94 ? 228 LEU A CB 1 Q76EI6 UNP 228 L +ATOM 1826 O O . LEU A 1 228 ? -3.334 -0.978 -8.734 1.00 96.94 ? 228 LEU A O 1 Q76EI6 UNP 228 L +ATOM 1827 C CG . LEU A 1 228 ? -0.567 1.658 -11.295 1.00 96.94 ? 228 LEU A CG 1 Q76EI6 UNP 228 L +ATOM 1828 C CD1 . LEU A 1 228 ? -0.596 1.984 -12.789 1.00 96.94 ? 228 LEU A CD1 1 Q76EI6 UNP 228 L +ATOM 1829 C CD2 . LEU A 1 228 ? -1.156 2.841 -10.533 1.00 96.94 ? 228 LEU A CD2 1 Q76EI6 UNP 228 L +ATOM 1830 N N . LEU A 1 229 ? -1.988 -2.499 -9.697 1.00 95.81 ? 229 LEU A N 1 Q76EI6 UNP 229 L +ATOM 1831 C CA . LEU A 1 229 ? -2.830 -3.644 -9.352 1.00 95.81 ? 229 LEU A CA 1 Q76EI6 UNP 229 L +ATOM 1832 C C . LEU A 1 229 ? -2.897 -3.857 -7.841 1.00 95.81 ? 229 LEU A C 1 Q76EI6 UNP 229 L +ATOM 1833 C CB . LEU A 1 229 ? -2.315 -4.917 -10.041 1.00 95.81 ? 229 LEU A CB 1 Q76EI6 UNP 229 L +ATOM 1834 O O . LEU A 1 229 ? -3.959 -4.192 -7.337 1.00 95.81 ? 229 LEU A O 1 Q76EI6 UNP 229 L +ATOM 1835 C CG . LEU A 1 229 ? -2.570 -4.973 -11.556 1.00 95.81 ? 229 LEU A CG 1 Q76EI6 UNP 229 L +ATOM 1836 C CD1 . LEU A 1 229 ? -1.957 -6.259 -12.112 1.00 95.81 ? 229 LEU A CD1 1 Q76EI6 UNP 229 L +ATOM 1837 C CD2 . LEU A 1 229 ? -4.062 -4.967 -11.902 1.00 95.81 ? 229 LEU A CD2 1 Q76EI6 UNP 229 L +ATOM 1838 N N . ASN A 1 230 ? -1.809 -3.612 -7.111 1.00 95.31 ? 230 ASN A N 1 Q76EI6 UNP 230 N +ATOM 1839 C CA . ASN A 1 230 ? -1.804 -3.689 -5.654 1.00 95.31 ? 230 ASN A CA 1 Q76EI6 UNP 230 N +ATOM 1840 C C . ASN A 1 230 ? -2.764 -2.662 -5.022 1.00 95.31 ? 230 ASN A C 1 Q76EI6 UNP 230 N +ATOM 1841 C CB . ASN A 1 230 ? -0.355 -3.511 -5.194 1.00 95.31 ? 230 ASN A CB 1 Q76EI6 UNP 230 N +ATOM 1842 O O . ASN A 1 230 ? -3.592 -3.016 -4.185 1.00 95.31 ? 230 ASN A O 1 Q76EI6 UNP 230 N +ATOM 1843 C CG . ASN A 1 230 ? -0.174 -3.848 -3.738 1.00 95.31 ? 230 ASN A CG 1 Q76EI6 UNP 230 N +ATOM 1844 N ND2 . ASN A 1 230 ? 0.653 -3.094 -3.067 1.00 95.31 ? 230 ASN A ND2 1 Q76EI6 UNP 230 N +ATOM 1845 O OD1 . ASN A 1 230 ? -0.740 -4.798 -3.230 1.00 95.31 ? 230 ASN A OD1 1 Q76EI6 UNP 230 N +ATOM 1846 N N . PHE A 1 231 ? -2.748 -1.409 -5.495 1.00 96.81 ? 231 PHE A N 1 Q76EI6 UNP 231 F +ATOM 1847 C CA . PHE A 1 231 ? -3.744 -0.409 -5.087 1.00 96.81 ? 231 PHE A CA 1 Q76EI6 UNP 231 F +ATOM 1848 C C . PHE A 1 231 ? -5.177 -0.841 -5.395 1.00 96.81 ? 231 PHE A C 1 Q76EI6 UNP 231 F +ATOM 1849 C CB . PHE A 1 231 ? -3.442 0.959 -5.714 1.00 96.81 ? 231 PHE A CB 1 Q76EI6 UNP 231 F +ATOM 1850 O O . PHE A 1 231 ? -6.048 -0.693 -4.542 1.00 96.81 ? 231 PHE A O 1 Q76EI6 UNP 231 F +ATOM 1851 C CG . PHE A 1 231 ? -2.513 1.814 -4.878 1.00 96.81 ? 231 PHE A CG 1 Q76EI6 UNP 231 F +ATOM 1852 C CD1 . PHE A 1 231 ? -3.022 2.519 -3.771 1.00 96.81 ? 231 PHE A CD1 1 Q76EI6 UNP 231 F +ATOM 1853 C CD2 . PHE A 1 231 ? -1.151 1.922 -5.203 1.00 96.81 ? 231 PHE A CD2 1 Q76EI6 UNP 231 F +ATOM 1854 C CE1 . PHE A 1 231 ? -2.176 3.332 -3.000 1.00 96.81 ? 231 PHE A CE1 1 Q76EI6 UNP 231 F +ATOM 1855 C CE2 . PHE A 1 231 ? -0.302 2.730 -4.426 1.00 96.81 ? 231 PHE A CE2 1 Q76EI6 UNP 231 F +ATOM 1856 C CZ . PHE A 1 231 ? -0.815 3.441 -3.330 1.00 96.81 ? 231 PHE A CZ 1 Q76EI6 UNP 231 F +ATOM 1857 N N . LEU A 1 232 ? -5.420 -1.394 -6.582 1.00 96.50 ? 232 LEU A N 1 Q76EI6 UNP 232 L +ATOM 1858 C CA . LEU A 1 232 ? -6.761 -1.779 -7.009 1.00 96.50 ? 232 LEU A CA 1 Q76EI6 UNP 232 L +ATOM 1859 C C . LEU A 1 232 ? -7.292 -3.023 -6.283 1.00 96.50 ? 232 LEU A C 1 Q76EI6 UNP 232 L +ATOM 1860 C CB . LEU A 1 232 ? -6.737 -1.974 -8.533 1.00 96.50 ? 232 LEU A CB 1 Q76EI6 UNP 232 L +ATOM 1861 O O . LEU A 1 232 ? -8.454 -3.041 -5.894 1.00 96.50 ? 232 LEU A O 1 Q76EI6 UNP 232 L +ATOM 1862 C CG . LEU A 1 232 ? -8.108 -2.313 -9.146 1.00 96.50 ? 232 LEU A CG 1 Q76EI6 UNP 232 L +ATOM 1863 C CD1 . LEU A 1 232 ? -9.141 -1.210 -8.905 1.00 96.50 ? 232 LEU A CD1 1 Q76EI6 UNP 232 L +ATOM 1864 C CD2 . LEU A 1 232 ? -7.944 -2.504 -10.653 1.00 96.50 ? 232 LEU A CD2 1 Q76EI6 UNP 232 L +ATOM 1865 N N . VAL A 1 233 ? -6.463 -4.055 -6.118 1.00 96.12 ? 233 VAL A N 1 Q76EI6 UNP 233 V +ATOM 1866 C CA . VAL A 1 233 ? -6.873 -5.379 -5.627 1.00 96.12 ? 233 VAL A CA 1 Q76EI6 UNP 233 V +ATOM 1867 C C . VAL A 1 233 ? -6.711 -5.496 -4.120 1.00 96.12 ? 233 VAL A C 1 Q76EI6 UNP 233 V +ATOM 1868 C CB . VAL A 1 233 ? -6.107 -6.506 -6.353 1.00 96.12 ? 233 VAL A CB 1 Q76EI6 UNP 233 V +ATOM 1869 O O . VAL A 1 233 ? -7.623 -5.985 -3.464 1.00 96.12 ? 233 VAL A O 1 Q76EI6 UNP 233 V +ATOM 1870 C CG1 . VAL A 1 233 ? -6.458 -7.899 -5.814 1.00 96.12 ? 233 VAL A CG1 1 Q76EI6 UNP 233 V +ATOM 1871 C CG2 . VAL A 1 233 ? -6.424 -6.496 -7.856 1.00 96.12 ? 233 VAL A CG2 1 Q76EI6 UNP 233 V +ATOM 1872 N N . CYS A 1 234 ? -5.591 -5.042 -3.555 1.00 96.94 ? 234 CYS A N 1 Q76EI6 UNP 234 C +ATOM 1873 C CA . CYS A 1 234 ? -5.331 -5.199 -2.125 1.00 96.94 ? 234 CYS A CA 1 Q76EI6 UNP 234 C +ATOM 1874 C C . CYS A 1 234 ? -6.010 -4.088 -1.318 1.00 96.94 ? 234 CYS A C 1 Q76EI6 UNP 234 C +ATOM 1875 C CB . CYS A 1 234 ? -3.819 -5.277 -1.865 1.00 96.94 ? 234 CYS A CB 1 Q76EI6 UNP 234 C +ATOM 1876 O O . CYS A 1 234 ? -6.763 -4.352 -0.382 1.00 96.94 ? 234 CYS A O 1 Q76EI6 UNP 234 C +ATOM 1877 S SG . CYS A 1 234 ? -3.107 -6.670 -2.785 1.00 96.94 ? 234 CYS A SG 1 Q76EI6 UNP 234 C +ATOM 1878 N N . PHE A 1 235 ? -5.793 -2.827 -1.692 1.00 98.00 ? 235 PHE A N 1 Q76EI6 UNP 235 F +ATOM 1879 C CA . PHE A 1 235 ? -6.306 -1.690 -0.917 1.00 98.00 ? 235 PHE A CA 1 Q76EI6 UNP 235 F +ATOM 1880 C C . PHE A 1 235 ? -7.695 -1.222 -1.364 1.00 98.00 ? 235 PHE A C 1 Q76EI6 UNP 235 F +ATOM 1881 C CB . PHE A 1 235 ? -5.275 -0.559 -0.958 1.00 98.00 ? 235 PHE A CB 1 Q76EI6 UNP 235 F +ATOM 1882 O O . PHE A 1 235 ? -8.463 -0.711 -0.546 1.00 98.00 ? 235 PHE A O 1 Q76EI6 UNP 235 F +ATOM 1883 C CG . PHE A 1 235 ? -3.893 -0.958 -0.477 1.00 98.00 ? 235 PHE A CG 1 Q76EI6 UNP 235 F +ATOM 1884 C CD1 . PHE A 1 235 ? -3.729 -1.595 0.768 1.00 98.00 ? 235 PHE A CD1 1 Q76EI6 UNP 235 F +ATOM 1885 C CD2 . PHE A 1 235 ? -2.765 -0.695 -1.275 1.00 98.00 ? 235 PHE A CD2 1 Q76EI6 UNP 235 F +ATOM 1886 C CE1 . PHE A 1 235 ? -2.443 -1.940 1.219 1.00 98.00 ? 235 PHE A CE1 1 Q76EI6 UNP 235 F +ATOM 1887 C CE2 . PHE A 1 235 ? -1.488 -1.063 -0.835 1.00 98.00 ? 235 PHE A CE2 1 Q76EI6 UNP 235 F +ATOM 1888 C CZ . PHE A 1 235 ? -1.323 -1.653 0.425 1.00 98.00 ? 235 PHE A CZ 1 Q76EI6 UNP 235 F +ATOM 1889 N N . GLY A 1 236 ? -8.036 -1.408 -2.639 1.00 97.81 ? 236 GLY A N 1 Q76EI6 UNP 236 G +ATOM 1890 C CA . GLY A 1 236 ? -9.281 -0.940 -3.244 1.00 97.81 ? 236 GLY A CA 1 Q76EI6 UNP 236 G +ATOM 1891 C C . GLY A 1 236 ? -10.536 -1.427 -2.521 1.00 97.81 ? 236 GLY A C 1 Q76EI6 UNP 236 G +ATOM 1892 O O . GLY A 1 236 ? -11.285 -0.580 -2.032 1.00 97.81 ? 236 GLY A O 1 Q76EI6 UNP 236 G +ATOM 1893 N N . PRO A 1 237 ? -10.771 -2.748 -2.378 1.00 97.94 ? 237 PRO A N 1 Q76EI6 UNP 237 P +ATOM 1894 C CA . PRO A 1 237 ? -11.990 -3.269 -1.762 1.00 97.94 ? 237 PRO A CA 1 Q76EI6 UNP 237 P +ATOM 1895 C C . PRO A 1 237 ? -12.208 -2.726 -0.348 1.00 97.94 ? 237 PRO A C 1 Q76EI6 UNP 237 P +ATOM 1896 C CB . PRO A 1 237 ? -11.837 -4.797 -1.773 1.00 97.94 ? 237 PRO A CB 1 Q76EI6 UNP 237 P +ATOM 1897 O O . PRO A 1 237 ? -13.296 -2.246 -0.025 1.00 97.94 ? 237 PRO A O 1 Q76EI6 UNP 237 P +ATOM 1898 C CG . PRO A 1 237 ? -10.908 -5.048 -2.959 1.00 97.94 ? 237 PRO A CG 1 Q76EI6 UNP 237 P +ATOM 1899 C CD . PRO A 1 237 ? -9.969 -3.848 -2.899 1.00 97.94 ? 237 PRO A CD 1 Q76EI6 UNP 237 P +ATOM 1900 N N . TYR A 1 238 ? -11.161 -2.729 0.485 1.00 97.94 ? 238 TYR A N 1 Q76EI6 UNP 238 Y +ATOM 1901 C CA . TYR A 1 238 ? -11.259 -2.242 1.859 1.00 97.94 ? 238 TYR A CA 1 Q76EI6 UNP 238 Y +ATOM 1902 C C . TYR A 1 238 ? -11.669 -0.772 1.886 1.00 97.94 ? 238 TYR A C 1 Q76EI6 UNP 238 Y +ATOM 1903 C CB . TYR A 1 238 ? -9.933 -2.460 2.591 1.00 97.94 ? 238 TYR A CB 1 Q76EI6 UNP 238 Y +ATOM 1904 O O . TYR A 1 238 ? -12.623 -0.416 2.577 1.00 97.94 ? 238 TYR A O 1 Q76EI6 UNP 238 Y +ATOM 1905 C CG . TYR A 1 238 ? -9.909 -1.905 4.004 1.00 97.94 ? 238 TYR A CG 1 Q76EI6 UNP 238 Y +ATOM 1906 C CD1 . TYR A 1 238 ? -9.006 -0.878 4.340 1.00 97.94 ? 238 TYR A CD1 1 Q76EI6 UNP 238 Y +ATOM 1907 C CD2 . TYR A 1 238 ? -10.789 -2.413 4.980 1.00 97.94 ? 238 TYR A CD2 1 Q76EI6 UNP 238 Y +ATOM 1908 C CE1 . TYR A 1 238 ? -8.978 -0.359 5.649 1.00 97.94 ? 238 TYR A CE1 1 Q76EI6 UNP 238 Y +ATOM 1909 C CE2 . TYR A 1 238 ? -10.763 -1.896 6.292 1.00 97.94 ? 238 TYR A CE2 1 Q76EI6 UNP 238 Y +ATOM 1910 O OH . TYR A 1 238 ? -9.914 -0.294 7.857 1.00 97.94 ? 238 TYR A OH 1 Q76EI6 UNP 238 Y +ATOM 1911 C CZ . TYR A 1 238 ? -9.859 -0.866 6.629 1.00 97.94 ? 238 TYR A CZ 1 Q76EI6 UNP 238 Y +ATOM 1912 N N . ASN A 1 239 ? -11.037 0.078 1.079 1.00 98.31 ? 239 ASN A N 1 Q76EI6 UNP 239 N +ATOM 1913 C CA . ASN A 1 239 ? -11.369 1.500 1.028 1.00 98.31 ? 239 ASN A CA 1 Q76EI6 UNP 239 N +ATOM 1914 C C . ASN A 1 239 ? -12.753 1.760 0.409 1.00 98.31 ? 239 ASN A C 1 Q76EI6 UNP 239 N +ATOM 1915 C CB . ASN A 1 239 ? -10.220 2.246 0.349 1.00 98.31 ? 239 ASN A CB 1 Q76EI6 UNP 239 N +ATOM 1916 O O . ASN A 1 239 ? -13.510 2.569 0.940 1.00 98.31 ? 239 ASN A O 1 Q76EI6 UNP 239 N +ATOM 1917 C CG . ASN A 1 239 ? -9.033 2.314 1.290 1.00 98.31 ? 239 ASN A CG 1 Q76EI6 UNP 239 N +ATOM 1918 N ND2 . ASN A 1 239 ? -8.017 1.514 1.083 1.00 98.31 ? 239 ASN A ND2 1 Q76EI6 UNP 239 N +ATOM 1919 O OD1 . ASN A 1 239 ? -9.032 3.044 2.267 1.00 98.31 ? 239 ASN A OD1 1 Q76EI6 UNP 239 N +ATOM 1920 N N . MET A 1 240 ? -13.174 0.995 -0.604 1.00 98.06 ? 240 MET A N 1 Q76EI6 UNP 240 M +ATOM 1921 C CA . MET A 1 240 ? -14.547 1.076 -1.124 1.00 98.06 ? 240 MET A CA 1 Q76EI6 UNP 240 M +ATOM 1922 C C . MET A 1 240 ? -15.587 0.729 -0.056 1.00 98.06 ? 240 MET A C 1 Q76EI6 UNP 240 M +ATOM 1923 C CB . MET A 1 240 ? -14.743 0.168 -2.346 1.00 98.06 ? 240 MET A CB 1 Q76EI6 UNP 240 M +ATOM 1924 O O . MET A 1 240 ? -16.659 1.335 -0.022 1.00 98.06 ? 240 MET A O 1 Q76EI6 UNP 240 M +ATOM 1925 C CG . MET A 1 240 ? -13.965 0.582 -3.600 1.00 98.06 ? 240 MET A CG 1 Q76EI6 UNP 240 M +ATOM 1926 S SD . MET A 1 240 ? -14.036 2.331 -4.084 1.00 98.06 ? 240 MET A SD 1 Q76EI6 UNP 240 M +ATOM 1927 C CE . MET A 1 240 ? -12.609 2.967 -3.161 1.00 98.06 ? 240 MET A CE 1 Q76EI6 UNP 240 M +ATOM 1928 N N . SER A 1 241 ? -15.266 -0.178 0.874 1.00 97.62 ? 241 SER A N 1 Q76EI6 UNP 241 S +ATOM 1929 C CA . SER A 1 241 ? -16.170 -0.485 1.986 1.00 97.62 ? 241 SER A CA 1 Q76EI6 UNP 241 S +ATOM 1930 C C . SER A 1 241 ? -16.427 0.737 2.870 1.00 97.62 ? 241 SER A C 1 Q76EI6 UNP 241 S +ATOM 1931 C CB . SER A 1 241 ? -15.665 -1.671 2.822 1.00 97.62 ? 241 SER A CB 1 Q76EI6 UNP 241 S +ATOM 1932 O O . SER A 1 241 ? -17.499 0.838 3.459 1.00 97.62 ? 241 SER A O 1 Q76EI6 UNP 241 S +ATOM 1933 O OG . SER A 1 241 ? -14.752 -1.249 3.819 1.00 97.62 ? 241 SER A OG 1 Q76EI6 UNP 241 S +ATOM 1934 N N . HIS A 1 242 ? -15.483 1.679 2.982 1.00 97.31 ? 242 HIS A N 1 Q76EI6 UNP 242 H +ATOM 1935 C CA . HIS A 1 242 ? -15.657 2.906 3.771 1.00 97.31 ? 242 HIS A CA 1 Q76EI6 UNP 242 H +ATOM 1936 C C . HIS A 1 242 ? -16.669 3.827 3.098 1.00 97.31 ? 242 HIS A C 1 Q76EI6 UNP 242 H +ATOM 1937 C CB . HIS A 1 242 ? -14.324 3.642 3.970 1.00 97.31 ? 242 HIS A CB 1 Q76EI6 UNP 242 H +ATOM 1938 O O . HIS A 1 242 ? -17.584 4.308 3.760 1.00 97.31 ? 242 HIS A O 1 Q76EI6 UNP 242 H +ATOM 1939 C CG . HIS A 1 242 ? -13.311 2.849 4.750 1.00 97.31 ? 242 HIS A CG 1 Q76EI6 UNP 242 H +ATOM 1940 C CD2 . HIS A 1 242 ? -12.729 3.160 5.947 1.00 97.31 ? 242 HIS A CD2 1 Q76EI6 UNP 242 H +ATOM 1941 N ND1 . HIS A 1 242 ? -12.778 1.649 4.378 1.00 97.31 ? 242 HIS A ND1 1 Q76EI6 UNP 242 H +ATOM 1942 C CE1 . HIS A 1 242 ? -11.954 1.235 5.339 1.00 97.31 ? 242 HIS A CE1 1 Q76EI6 UNP 242 H +ATOM 1943 N NE2 . HIS A 1 242 ? -11.921 2.105 6.353 1.00 97.31 ? 242 HIS A NE2 1 Q76EI6 UNP 242 H +ATOM 1944 N N . LEU A 1 243 ? -16.551 3.998 1.778 1.00 97.00 ? 243 LEU A N 1 Q76EI6 UNP 243 L +ATOM 1945 C CA . LEU A 1 243 ? -17.481 4.797 0.984 1.00 97.00 ? 243 LEU A CA 1 Q76EI6 UNP 243 L +ATOM 1946 C C . LEU A 1 243 ? -18.906 4.231 1.047 1.00 97.00 ? 243 LEU A C 1 Q76EI6 UNP 243 L +ATOM 1947 C CB . LEU A 1 243 ? -16.948 4.862 -0.459 1.00 97.00 ? 243 LEU A CB 1 Q76EI6 UNP 243 L +ATOM 1948 O O . LEU A 1 243 ? -19.851 4.957 1.353 1.00 97.00 ? 243 LEU A O 1 Q76EI6 UNP 243 L +ATOM 1949 C CG . LEU A 1 243 ? -17.788 5.749 -1.395 1.00 97.00 ? 243 LEU A CG 1 Q76EI6 UNP 243 L +ATOM 1950 C CD1 . LEU A 1 243 ? -17.795 7.210 -0.939 1.00 97.00 ? 243 LEU A CD1 1 Q76EI6 UNP 243 L +ATOM 1951 C CD2 . LEU A 1 243 ? -17.212 5.682 -2.808 1.00 97.00 ? 243 LEU A CD2 1 Q76EI6 UNP 243 L +ATOM 1952 N N . VAL A 1 244 ? -19.053 2.921 0.825 1.00 97.25 ? 244 VAL A N 1 Q76EI6 UNP 244 V +ATOM 1953 C CA . VAL A 1 244 ? -20.352 2.235 0.904 1.00 97.25 ? 244 VAL A CA 1 Q76EI6 UNP 244 V +ATOM 1954 C C . VAL A 1 244 ? -20.915 2.300 2.320 1.00 97.25 ? 244 VAL A C 1 Q76EI6 UNP 244 V +ATOM 1955 C CB . VAL A 1 244 ? -20.234 0.777 0.422 1.00 97.25 ? 244 VAL A CB 1 Q76EI6 UNP 244 V +ATOM 1956 O O . VAL A 1 244 ? -22.094 2.590 2.497 1.00 97.25 ? 244 VAL A O 1 Q76EI6 UNP 244 V +ATOM 1957 C CG1 . VAL A 1 244 ? -21.533 -0.015 0.619 1.00 97.25 ? 244 VAL A CG1 1 Q76EI6 UNP 244 V +ATOM 1958 C CG2 . VAL A 1 244 ? -19.896 0.737 -1.073 1.00 97.25 ? 244 VAL A CG2 1 Q76EI6 UNP 244 V +ATOM 1959 N N . GLY A 1 245 ? -20.081 2.083 3.338 1.00 96.25 ? 245 GLY A N 1 Q76EI6 UNP 245 G +ATOM 1960 C CA . GLY A 1 245 ? -20.525 2.137 4.726 1.00 96.25 ? 245 GLY A CA 1 Q76EI6 UNP 245 G +ATOM 1961 C C . GLY A 1 245 ? -20.980 3.529 5.161 1.00 96.25 ? 245 GLY A C 1 Q76EI6 UNP 245 G +ATOM 1962 O O . GLY A 1 245 ? -21.974 3.653 5.871 1.00 96.25 ? 245 GLY A O 1 Q76EI6 UNP 245 G +ATOM 1963 N N . PHE A 1 246 ? -20.306 4.583 4.694 1.00 96.50 ? 246 PHE A N 1 Q76EI6 UNP 246 F +ATOM 1964 C CA . PHE A 1 246 ? -20.742 5.960 4.922 1.00 96.50 ? 246 PHE A CA 1 Q76EI6 UNP 246 F +ATOM 1965 C C . PHE A 1 246 ? -22.095 6.235 4.256 1.00 96.50 ? 246 PHE A C 1 Q76EI6 UNP 246 F +ATOM 1966 C CB . PHE A 1 246 ? -19.668 6.929 4.416 1.00 96.50 ? 246 PHE A CB 1 Q76EI6 UNP 246 F +ATOM 1967 O O . PHE A 1 246 ? -22.990 6.781 4.897 1.00 96.50 ? 246 PHE A O 1 Q76EI6 UNP 246 F +ATOM 1968 C CG . PHE A 1 246 ? -20.021 8.380 4.673 1.00 96.50 ? 246 PHE A CG 1 Q76EI6 UNP 246 F +ATOM 1969 C CD1 . PHE A 1 246 ? -20.658 9.149 3.680 1.00 96.50 ? 246 PHE A CD1 1 Q76EI6 UNP 246 F +ATOM 1970 C CD2 . PHE A 1 246 ? -19.735 8.955 5.924 1.00 96.50 ? 246 PHE A CD2 1 Q76EI6 UNP 246 F +ATOM 1971 C CE1 . PHE A 1 246 ? -20.996 10.490 3.938 1.00 96.50 ? 246 PHE A CE1 1 Q76EI6 UNP 246 F +ATOM 1972 C CE2 . PHE A 1 246 ? -20.074 10.293 6.183 1.00 96.50 ? 246 PHE A CE2 1 Q76EI6 UNP 246 F +ATOM 1973 C CZ . PHE A 1 246 ? -20.702 11.062 5.188 1.00 96.50 ? 246 PHE A CZ 1 Q76EI6 UNP 246 F +ATOM 1974 N N . HIS A 1 247 ? -22.265 5.807 3.001 1.00 96.56 ? 247 HIS A N 1 Q76EI6 UNP 247 H +ATOM 1975 C CA . HIS A 1 247 ? -23.512 5.994 2.259 1.00 96.56 ? 247 HIS A CA 1 Q76EI6 UNP 247 H +ATOM 1976 C C . HIS A 1 247 ? -24.693 5.239 2.886 1.00 96.56 ? 247 HIS A C 1 Q76EI6 UNP 247 H +ATOM 1977 C CB . HIS A 1 247 ? -23.289 5.566 0.803 1.00 96.56 ? 247 HIS A CB 1 Q76EI6 UNP 247 H +ATOM 1978 O O . HIS A 1 247 ? -25.762 5.813 3.072 1.00 96.56 ? 247 HIS A O 1 Q76EI6 UNP 247 H +ATOM 1979 C CG . HIS A 1 247 ? -24.504 5.795 -0.055 1.00 96.56 ? 247 HIS A CG 1 Q76EI6 UNP 247 H +ATOM 1980 C CD2 . HIS A 1 247 ? -25.285 4.837 -0.645 1.00 96.56 ? 247 HIS A CD2 1 Q76EI6 UNP 247 H +ATOM 1981 N ND1 . HIS A 1 247 ? -25.067 7.016 -0.352 1.00 96.56 ? 247 HIS A ND1 1 Q76EI6 UNP 247 H +ATOM 1982 C CE1 . HIS A 1 247 ? -26.156 6.798 -1.106 1.00 96.56 ? 247 HIS A CE1 1 Q76EI6 UNP 247 H +ATOM 1983 N NE2 . HIS A 1 247 ? -26.323 5.485 -1.320 1.00 96.56 ? 247 HIS A NE2 1 Q76EI6 UNP 247 H +ATOM 1984 N N . LEU A 1 248 ? -24.489 3.973 3.262 1.00 95.44 ? 248 LEU A N 1 Q76EI6 UNP 248 L +ATOM 1985 C CA . LEU A 1 248 ? -25.519 3.120 3.866 1.00 95.44 ? 248 LEU A CA 1 Q76EI6 UNP 248 L +ATOM 1986 C C . LEU A 1 248 ? -25.690 3.335 5.377 1.00 95.44 ? 248 LEU A C 1 Q76EI6 UNP 248 L +ATOM 1987 C CB . LEU A 1 248 ? -25.206 1.643 3.564 1.00 95.44 ? 248 LEU A CB 1 Q76EI6 UNP 248 L +ATOM 1988 O O . LEU A 1 248 ? -26.537 2.685 5.982 1.00 95.44 ? 248 LEU A O 1 Q76EI6 UNP 248 L +ATOM 1989 C CG . LEU A 1 248 ? -25.190 1.256 2.076 1.00 95.44 ? 248 LEU A CG 1 Q76EI6 UNP 248 L +ATOM 1990 C CD1 . LEU A 1 248 ? -24.885 -0.240 1.960 1.00 95.44 ? 248 LEU A CD1 1 Q76EI6 UNP 248 L +ATOM 1991 C CD2 . LEU A 1 248 ? -26.528 1.525 1.386 1.00 95.44 ? 248 LEU A CD2 1 Q76EI6 UNP 248 L +ATOM 1992 N N . ARG A 1 249 ? -24.880 4.204 5.997 1.00 94.12 ? 249 ARG A N 1 Q76EI6 UNP 249 R +ATOM 1993 C CA . ARG A 1 249 ? -24.853 4.453 7.449 1.00 94.12 ? 249 ARG A CA 1 Q76EI6 UNP 249 R +ATOM 1994 C C . ARG A 1 249 ? -24.619 3.199 8.313 1.00 94.12 ? 249 ARG A C 1 Q76EI6 UNP 249 R +ATOM 1995 C CB . ARG A 1 249 ? -26.109 5.239 7.877 1.00 94.12 ? 249 ARG A CB 1 Q76EI6 UNP 249 R +ATOM 1996 O O . ARG A 1 249 ? -25.027 3.163 9.467 1.00 94.12 ? 249 ARG A O 1 Q76EI6 UNP 249 R +ATOM 1997 C CG . ARG A 1 249 ? -26.262 6.617 7.221 1.00 94.12 ? 249 ARG A CG 1 Q76EI6 UNP 249 R +ATOM 1998 C CD . ARG A 1 249 ? -25.146 7.574 7.655 1.00 94.12 ? 249 ARG A CD 1 Q76EI6 UNP 249 R +ATOM 1999 N NE . ARG A 1 249 ? -25.608 8.975 7.636 1.00 94.12 ? 249 ARG A NE 1 Q76EI6 UNP 249 R +ATOM 2000 N NH1 . ARG A 1 249 ? -23.971 9.850 8.988 1.00 94.12 ? 249 ARG A NH1 1 Q76EI6 UNP 249 R +ATOM 2001 N NH2 . ARG A 1 249 ? -25.673 11.138 8.343 1.00 94.12 ? 249 ARG A NH2 1 Q76EI6 UNP 249 R +ATOM 2002 C CZ . ARG A 1 249 ? -25.081 9.978 8.315 1.00 94.12 ? 249 ARG A CZ 1 Q76EI6 UNP 249 R +ATOM 2003 N N . GLN A 1 250 ? -23.927 2.188 7.786 1.00 91.19 ? 250 GLN A N 1 Q76EI6 UNP 250 Q +ATOM 2004 C CA . GLN A 1 250 ? -23.669 0.919 8.485 1.00 91.19 ? 250 GLN A CA 1 Q76EI6 UNP 250 Q +ATOM 2005 C C . GLN A 1 250 ? -22.354 0.259 8.043 1.00 91.19 ? 250 GLN A C 1 Q76EI6 UNP 250 Q +ATOM 2006 C CB . GLN A 1 250 ? -24.871 -0.028 8.308 1.00 91.19 ? 250 GLN A CB 1 Q76EI6 UNP 250 Q +ATOM 2007 O O . GLN A 1 250 ? -21.764 0.641 7.033 1.00 91.19 ? 250 GLN A O 1 Q76EI6 UNP 250 Q +ATOM 2008 C CG . GLN A 1 250 ? -25.124 -0.475 6.857 1.00 91.19 ? 250 GLN A CG 1 Q76EI6 UNP 250 Q +ATOM 2009 C CD . GLN A 1 250 ? -26.372 -1.345 6.715 1.00 91.19 ? 250 GLN A CD 1 Q76EI6 UNP 250 Q +ATOM 2010 N NE2 . GLN A 1 250 ? -26.746 -1.711 5.510 1.00 91.19 ? 250 GLN A NE2 1 Q76EI6 UNP 250 Q +ATOM 2011 O OE1 . GLN A 1 250 ? -27.025 -1.733 7.665 1.00 91.19 ? 250 GLN A OE1 1 Q76EI6 UNP 250 Q +ATOM 2012 N N . SER A 1 251 ? -21.866 -0.744 8.785 1.00 88.38 ? 251 SER A N 1 Q76EI6 UNP 251 S +ATOM 2013 C CA . SER A 1 251 ? -20.728 -1.573 8.350 1.00 88.38 ? 251 SER A CA 1 Q76EI6 UNP 251 S +ATOM 2014 C C . SER A 1 251 ? -21.192 -2.555 7.265 1.00 88.38 ? 251 SER A C 1 Q76EI6 UNP 251 S +ATOM 2015 C CB . SER A 1 251 ? -20.102 -2.348 9.530 1.00 88.38 ? 251 SER A CB 1 Q76EI6 UNP 251 S +ATOM 2016 O O . SER A 1 251 ? -22.077 -3.359 7.549 1.00 88.38 ? 251 SER A O 1 Q76EI6 UNP 251 S +ATOM 2017 O OG . SER A 1 251 ? -18.797 -2.819 9.209 1.00 88.38 ? 251 SER A OG 1 Q76EI6 UNP 251 S +ATOM 2018 N N . PRO A 1 252 ? -20.661 -2.520 6.026 1.00 92.44 ? 252 PRO A N 1 Q76EI6 UNP 252 P +ATOM 2019 C CA . PRO A 1 252 ? -20.989 -3.538 5.034 1.00 92.44 ? 252 PRO A CA 1 Q76EI6 UNP 252 P +ATOM 2020 C C . PRO A 1 252 ? -20.432 -4.898 5.467 1.00 92.44 ? 252 PRO A C 1 Q76EI6 UNP 252 P +ATOM 2021 C CB . PRO A 1 252 ? -20.373 -3.061 3.712 1.00 92.44 ? 252 PRO A CB 1 Q76EI6 UNP 252 P +ATOM 2022 O O . PRO A 1 252 ? -19.267 -4.976 5.850 1.00 92.44 ? 252 PRO A O 1 Q76EI6 UNP 252 P +ATOM 2023 C CG . PRO A 1 252 ? -20.096 -1.577 3.942 1.00 92.44 ? 252 PRO A CG 1 Q76EI6 UNP 252 P +ATOM 2024 C CD . PRO A 1 252 ? -19.779 -1.532 5.432 1.00 92.44 ? 252 PRO A CD 1 Q76EI6 UNP 252 P +ATOM 2025 N N . SER A 1 253 ? -21.229 -5.964 5.353 1.00 89.44 ? 253 SER A N 1 Q76EI6 UNP 253 S +ATOM 2026 C CA . SER A 1 253 ? -20.835 -7.315 5.791 1.00 89.44 ? 253 SER A CA 1 Q76EI6 UNP 253 S +ATOM 2027 C C . SER A 1 253 ? -19.577 -7.835 5.092 1.00 89.44 ? 253 SER A C 1 Q76EI6 UNP 253 S +ATOM 2028 C CB . SER A 1 253 ? -21.984 -8.300 5.558 1.00 89.44 ? 253 SER A CB 1 Q76EI6 UNP 253 S +ATOM 2029 O O . SER A 1 253 ? -18.739 -8.453 5.732 1.00 89.44 ? 253 SER A O 1 Q76EI6 UNP 253 S +ATOM 2030 O OG . SER A 1 253 ? -22.395 -8.280 4.199 1.00 89.44 ? 253 SER A OG 1 Q76EI6 UNP 253 S +ATOM 2031 N N . TRP A 1 254 ? -19.404 -7.499 3.810 1.00 93.75 ? 254 TRP A N 1 Q76EI6 UNP 254 W +ATOM 2032 C CA . TRP A 1 254 ? -18.269 -7.921 2.983 1.00 93.75 ? 254 TRP A CA 1 Q76EI6 UNP 254 W +ATOM 2033 C C . TRP A 1 254 ? -16.931 -7.228 3.337 1.00 93.75 ? 254 TRP A C 1 Q76EI6 UNP 254 W +ATOM 2034 C CB . TRP A 1 254 ? -18.637 -7.739 1.510 1.00 93.75 ? 254 TRP A CB 1 Q76EI6 UNP 254 W +ATOM 2035 O O . TRP A 1 254 ? -15.903 -7.422 2.677 1.00 93.75 ? 254 TRP A O 1 Q76EI6 UNP 254 W +ATOM 2036 C CG . TRP A 1 254 ? -18.998 -6.338 1.127 1.00 93.75 ? 254 TRP A CG 1 Q76EI6 UNP 254 W +ATOM 2037 C CD1 . TRP A 1 254 ? -20.252 -5.839 1.055 1.00 93.75 ? 254 TRP A CD1 1 Q76EI6 UNP 254 W +ATOM 2038 C CD2 . TRP A 1 254 ? -18.109 -5.247 0.750 1.00 93.75 ? 254 TRP A CD2 1 Q76EI6 UNP 254 W +ATOM 2039 C CE2 . TRP A 1 254 ? -18.903 -4.097 0.467 1.00 93.75 ? 254 TRP A CE2 1 Q76EI6 UNP 254 W +ATOM 2040 C CE3 . TRP A 1 254 ? -16.717 -5.127 0.575 1.00 93.75 ? 254 TRP A CE3 1 Q76EI6 UNP 254 W +ATOM 2041 N NE1 . TRP A 1 254 ? -20.201 -4.516 0.663 1.00 93.75 ? 254 TRP A NE1 1 Q76EI6 UNP 254 W +ATOM 2042 C CH2 . TRP A 1 254 ? -16.955 -2.819 -0.169 1.00 93.75 ? 254 TRP A CH2 1 Q76EI6 UNP 254 W +ATOM 2043 C CZ2 . TRP A 1 254 ? -18.343 -2.889 0.033 1.00 93.75 ? 254 TRP A CZ2 1 Q76EI6 UNP 254 W +ATOM 2044 C CZ3 . TRP A 1 254 ? -16.144 -3.929 0.120 1.00 93.75 ? 254 TRP A CZ3 1 Q76EI6 UNP 254 W +ATOM 2045 N N . ARG A 1 255 ? -16.927 -6.341 4.345 1.00 94.50 ? 255 ARG A N 1 Q76EI6 UNP 255 R +ATOM 2046 C CA . ARG A 1 255 ? -15.723 -5.623 4.787 1.00 94.50 ? 255 ARG A CA 1 Q76EI6 UNP 255 R +ATOM 2047 C C . ARG A 1 255 ? -14.661 -6.579 5.319 1.00 94.50 ? 255 ARG A C 1 Q76EI6 UNP 255 R +ATOM 2048 C CB . ARG A 1 255 ? -16.112 -4.580 5.844 1.00 94.50 ? 255 ARG A CB 1 Q76EI6 UNP 255 R +ATOM 2049 O O . ARG A 1 255 ? -13.478 -6.307 5.126 1.00 94.50 ? 255 ARG A O 1 Q76EI6 UNP 255 R +ATOM 2050 C CG . ARG A 1 255 ? -14.887 -3.874 6.450 1.00 94.50 ? 255 ARG A CG 1 Q76EI6 UNP 255 R +ATOM 2051 C CD . ARG A 1 255 ? -15.305 -2.707 7.340 1.00 94.50 ? 255 ARG A CD 1 Q76EI6 UNP 255 R +ATOM 2052 N NE . ARG A 1 255 ? -15.757 -1.557 6.531 1.00 94.50 ? 255 ARG A NE 1 Q76EI6 UNP 255 R +ATOM 2053 N NH1 . ARG A 1 255 ? -17.451 -0.843 7.897 1.00 94.50 ? 255 ARG A NH1 1 Q76EI6 UNP 255 R +ATOM 2054 N NH2 . ARG A 1 255 ? -16.993 0.302 6.090 1.00 94.50 ? 255 ARG A NH2 1 Q76EI6 UNP 255 R +ATOM 2055 C CZ . ARG A 1 255 ? -16.715 -0.713 6.844 1.00 94.50 ? 255 ARG A CZ 1 Q76EI6 UNP 255 R +ATOM 2056 N N . VAL A 1 256 ? -15.057 -7.670 5.968 1.00 92.31 ? 256 VAL A N 1 Q76EI6 UNP 256 V +ATOM 2057 C CA . VAL A 1 256 ? -14.120 -8.630 6.567 1.00 92.31 ? 256 VAL A CA 1 Q76EI6 UNP 256 V +ATOM 2058 C C . VAL A 1 256 ? -13.251 -9.269 5.479 1.00 92.31 ? 256 VAL A C 1 Q76EI6 UNP 256 V +ATOM 2059 C CB . VAL A 1 256 ? -14.883 -9.697 7.375 1.00 92.31 ? 256 VAL A CB 1 Q76EI6 UNP 256 V +ATOM 2060 O O . VAL A 1 256 ? -12.029 -9.324 5.599 1.00 92.31 ? 256 VAL A O 1 Q76EI6 UNP 256 V +ATOM 2061 C CG1 . VAL A 1 256 ? -13.901 -10.587 8.143 1.00 92.31 ? 256 VAL A CG1 1 Q76EI6 UNP 256 V +ATOM 2062 C CG2 . VAL A 1 256 ? -15.825 -9.066 8.412 1.00 92.31 ? 256 VAL A CG2 1 Q76EI6 UNP 256 V +ATOM 2063 N N . GLU A 1 257 ? -13.857 -9.646 4.361 1.00 94.06 ? 257 GLU A N 1 Q76EI6 UNP 257 E +ATOM 2064 C CA . GLU A 1 257 ? -13.206 -10.163 3.161 1.00 94.06 ? 257 GLU A CA 1 Q76EI6 UNP 257 E +ATOM 2065 C C . GLU A 1 257 ? -12.323 -9.093 2.528 1.00 94.06 ? 257 GLU A C 1 Q76EI6 UNP 257 E +ATOM 2066 C CB . GLU A 1 257 ? -14.248 -10.625 2.124 1.00 94.06 ? 257 GLU A CB 1 Q76EI6 UNP 257 E +ATOM 2067 O O . GLU A 1 257 ? -11.183 -9.357 2.150 1.00 94.06 ? 257 GLU A O 1 Q76EI6 UNP 257 E +ATOM 2068 C CG . GLU A 1 257 ? -15.211 -11.713 2.617 1.00 94.06 ? 257 GLU A CG 1 Q76EI6 UNP 257 E +ATOM 2069 C CD . GLU A 1 257 ? -16.501 -11.158 3.248 1.00 94.06 ? 257 GLU A CD 1 Q76EI6 UNP 257 E +ATOM 2070 O OE1 . GLU A 1 257 ? -17.568 -11.740 2.971 1.00 94.06 ? 257 GLU A OE1 1 Q76EI6 UNP 257 E +ATOM 2071 O OE2 . GLU A 1 257 ? -16.428 -10.148 3.976 1.00 94.06 ? 257 GLU A OE2 1 Q76EI6 UNP 257 E +ATOM 2072 N N . ALA A 1 258 ? -12.812 -7.855 2.461 1.00 96.50 ? 258 ALA A N 1 Q76EI6 UNP 258 A +ATOM 2073 C CA . ALA A 1 258 ? -12.049 -6.733 1.931 1.00 96.50 ? 258 ALA A CA 1 Q76EI6 UNP 258 A +ATOM 2074 C C . ALA A 1 258 ? -10.756 -6.461 2.728 1.00 96.50 ? 258 ALA A C 1 Q76EI6 UNP 258 A +ATOM 2075 C CB . ALA A 1 258 ? -12.980 -5.523 1.893 1.00 96.50 ? 258 ALA A CB 1 Q76EI6 UNP 258 A +ATOM 2076 O O . ALA A 1 258 ? -9.737 -6.088 2.146 1.00 96.50 ? 258 ALA A O 1 Q76EI6 UNP 258 A +ATOM 2077 N N . VAL A 1 259 ? -10.762 -6.698 4.044 1.00 96.44 ? 259 VAL A N 1 Q76EI6 UNP 259 V +ATOM 2078 C CA . VAL A 1 259 ? -9.566 -6.612 4.900 1.00 96.44 ? 259 VAL A CA 1 Q76EI6 UNP 259 V +ATOM 2079 C C . VAL A 1 259 ? -8.547 -7.714 4.574 1.00 96.44 ? 259 VAL A C 1 Q76EI6 UNP 259 V +ATOM 2080 C CB . VAL A 1 259 ? -9.965 -6.646 6.391 1.00 96.44 ? 259 VAL A CB 1 Q76EI6 UNP 259 V +ATOM 2081 O O . VAL A 1 259 ? -7.336 -7.456 4.587 1.00 96.44 ? 259 VAL A O 1 Q76EI6 UNP 259 V +ATOM 2082 C CG1 . VAL A 1 259 ? -8.735 -6.714 7.293 1.00 96.44 ? 259 VAL A CG1 1 Q76EI6 UNP 259 V +ATOM 2083 C CG2 . VAL A 1 259 ? -10.710 -5.370 6.799 1.00 96.44 ? 259 VAL A CG2 1 Q76EI6 UNP 259 V +ATOM 2084 N N . VAL A 1 260 ? -9.005 -8.919 4.213 1.00 96.88 ? 260 VAL A N 1 Q76EI6 UNP 260 V +ATOM 2085 C CA . VAL A 1 260 ? -8.119 -9.999 3.739 1.00 96.88 ? 260 VAL A CA 1 Q76EI6 UNP 260 V +ATOM 2086 C C . VAL A 1 260 ? -7.349 -9.548 2.502 1.00 96.88 ? 260 VAL A C 1 Q76EI6 UNP 260 V +ATOM 2087 C CB . VAL A 1 260 ? -8.882 -11.302 3.429 1.00 96.88 ? 260 VAL A CB 1 Q76EI6 UNP 260 V +ATOM 2088 O O . VAL A 1 260 ? -6.132 -9.726 2.443 1.00 96.88 ? 260 VAL A O 1 Q76EI6 UNP 260 V +ATOM 2089 C CG1 . VAL A 1 260 ? -7.936 -12.422 2.981 1.00 96.88 ? 260 VAL A CG1 1 Q76EI6 UNP 260 V +ATOM 2090 C CG2 . VAL A 1 260 ? -9.642 -11.830 4.645 1.00 96.88 ? 260 VAL A CG2 1 Q76EI6 UNP 260 V +ATOM 2091 N N . PHE A 1 261 ? -8.021 -8.884 1.556 1.00 97.12 ? 261 PHE A N 1 Q76EI6 UNP 261 F +ATOM 2092 C CA . PHE A 1 261 ? -7.363 -8.332 0.371 1.00 97.12 ? 261 PHE A CA 1 Q76EI6 UNP 261 F +ATOM 2093 C C . PHE A 1 261 ? -6.266 -7.326 0.729 1.00 97.12 ? 261 PHE A C 1 Q76EI6 UNP 261 F +ATOM 2094 C CB . PHE A 1 261 ? -8.389 -7.717 -0.584 1.00 97.12 ? 261 PHE A CB 1 Q76EI6 UNP 261 F +ATOM 2095 O O . PHE A 1 261 ? -5.169 -7.406 0.185 1.00 97.12 ? 261 PHE A O 1 Q76EI6 UNP 261 F +ATOM 2096 C CG . PHE A 1 261 ? -9.110 -8.734 -1.442 1.00 97.12 ? 261 PHE A CG 1 Q76EI6 UNP 261 F +ATOM 2097 C CD1 . PHE A 1 261 ? -8.518 -9.197 -2.631 1.00 97.12 ? 261 PHE A CD1 1 Q76EI6 UNP 261 F +ATOM 2098 C CD2 . PHE A 1 261 ? -10.369 -9.225 -1.056 1.00 97.12 ? 261 PHE A CD2 1 Q76EI6 UNP 261 F +ATOM 2099 C CE1 . PHE A 1 261 ? -9.178 -10.154 -3.422 1.00 97.12 ? 261 PHE A CE1 1 Q76EI6 UNP 261 F +ATOM 2100 C CE2 . PHE A 1 261 ? -11.027 -10.188 -1.838 1.00 97.12 ? 261 PHE A CE2 1 Q76EI6 UNP 261 F +ATOM 2101 C CZ . PHE A 1 261 ? -10.431 -10.654 -3.022 1.00 97.12 ? 261 PHE A CZ 1 Q76EI6 UNP 261 F +ATOM 2102 N N . SER A 1 262 ? -6.491 -6.434 1.695 1.00 97.50 ? 262 SER A N 1 Q76EI6 UNP 262 S +ATOM 2103 C CA . SER A 1 262 ? -5.444 -5.491 2.125 1.00 97.50 ? 262 SER A CA 1 Q76EI6 UNP 262 S +ATOM 2104 C C . SER A 1 262 ? -4.255 -6.186 2.782 1.00 97.50 ? 262 SER A C 1 Q76EI6 UNP 262 S +ATOM 2105 C CB . SER A 1 262 ? -6.035 -4.439 3.054 1.00 97.50 ? 262 SER A CB 1 Q76EI6 UNP 262 S +ATOM 2106 O O . SER A 1 262 ? -3.122 -5.735 2.638 1.00 97.50 ? 262 SER A O 1 Q76EI6 UNP 262 S +ATOM 2107 O OG . SER A 1 262 ? -6.951 -3.650 2.322 1.00 97.50 ? 262 SER A OG 1 Q76EI6 UNP 262 S +ATOM 2108 N N . SER A 1 263 ? -4.491 -7.323 3.431 1.00 97.06 ? 263 SER A N 1 Q76EI6 UNP 263 S +ATOM 2109 C CA . SER A 1 263 ? -3.435 -8.148 4.027 1.00 97.06 ? 263 SER A CA 1 Q76EI6 UNP 263 S +ATOM 2110 C C . SER A 1 263 ? -2.583 -8.865 2.975 1.00 97.06 ? 263 SER A C 1 Q76EI6 UNP 263 S +ATOM 2111 C CB . SER A 1 263 ? -4.050 -9.175 4.975 1.00 97.06 ? 263 SER A CB 1 Q76EI6 UNP 263 S +ATOM 2112 O O . SER A 1 263 ? -1.401 -9.112 3.217 1.00 97.06 ? 263 SER A O 1 Q76EI6 UNP 263 S +ATOM 2113 O OG . SER A 1 263 ? -4.930 -8.542 5.876 1.00 97.06 ? 263 SER A OG 1 Q76EI6 UNP 263 S +ATOM 2114 N N . LEU A 1 264 ? -3.140 -9.156 1.788 1.00 95.88 ? 264 LEU A N 1 Q76EI6 UNP 264 L +ATOM 2115 C CA . LEU A 1 264 ? -2.386 -9.754 0.678 1.00 95.88 ? 264 LEU A CA 1 Q76EI6 UNP 264 L +ATOM 2116 C C . LEU A 1 264 ? -1.209 -8.876 0.236 1.00 95.88 ? 264 LEU A C 1 Q76EI6 UNP 264 L +ATOM 2117 C CB . LEU A 1 264 ? -3.288 -10.052 -0.541 1.00 95.88 ? 264 LEU A CB 1 Q76EI6 UNP 264 L +ATOM 2118 O O . LEU A 1 264 ? -0.232 -9.439 -0.260 1.00 95.88 ? 264 LEU A O 1 Q76EI6 UNP 264 L +ATOM 2119 C CG . LEU A 1 264 ? -4.273 -11.220 -0.373 1.00 95.88 ? 264 LEU A CG 1 Q76EI6 UNP 264 L +ATOM 2120 C CD1 . LEU A 1 264 ? -5.297 -11.222 -1.511 1.00 95.88 ? 264 LEU A CD1 1 Q76EI6 UNP 264 L +ATOM 2121 C CD2 . LEU A 1 264 ? -3.559 -12.572 -0.450 1.00 95.88 ? 264 LEU A CD2 1 Q76EI6 UNP 264 L +ATOM 2122 N N . ASN A 1 265 ? -1.251 -7.553 0.468 1.00 95.12 ? 265 ASN A N 1 Q76EI6 UNP 265 N +ATOM 2123 C CA . ASN A 1 265 ? -0.140 -6.631 0.193 1.00 95.12 ? 265 ASN A CA 1 Q76EI6 UNP 265 N +ATOM 2124 C C . ASN A 1 265 ? 1.202 -7.200 0.667 1.00 95.12 ? 265 ASN A C 1 Q76EI6 UNP 265 N +ATOM 2125 C CB . ASN A 1 265 ? -0.385 -5.282 0.891 1.00 95.12 ? 265 ASN A CB 1 Q76EI6 UNP 265 N +ATOM 2126 O O . ASN A 1 265 ? 2.116 -7.387 -0.132 1.00 95.12 ? 265 ASN A O 1 Q76EI6 UNP 265 N +ATOM 2127 C CG . ASN A 1 265 ? 0.761 -4.328 0.592 1.00 95.12 ? 265 ASN A CG 1 Q76EI6 UNP 265 N +ATOM 2128 N ND2 . ASN A 1 265 ? 1.745 -4.134 1.437 1.00 95.12 ? 265 ASN A ND2 1 Q76EI6 UNP 265 N +ATOM 2129 O OD1 . ASN A 1 265 ? 0.783 -3.732 -0.462 1.00 95.12 ? 265 ASN A OD1 1 Q76EI6 UNP 265 N +ATOM 2130 N N . ALA A 1 266 ? 1.271 -7.595 1.940 1.00 95.44 ? 266 ALA A N 1 Q76EI6 UNP 266 A +ATOM 2131 C CA . ALA A 1 266 ? 2.504 -8.076 2.553 1.00 95.44 ? 266 ALA A CA 1 Q76EI6 UNP 266 A +ATOM 2132 C C . ALA A 1 266 ? 3.050 -9.346 1.874 1.00 95.44 ? 266 ALA A C 1 Q76EI6 UNP 266 A +ATOM 2133 C CB . ALA A 1 266 ? 2.219 -8.306 4.041 1.00 95.44 ? 266 ALA A CB 1 Q76EI6 UNP 266 A +ATOM 2134 O O . ALA A 1 266 ? 4.258 -9.580 1.854 1.00 95.44 ? 266 ALA A O 1 Q76EI6 UNP 266 A +ATOM 2135 N N . SER A 1 267 ? 2.182 -10.174 1.286 1.00 93.88 ? 267 SER A N 1 Q76EI6 UNP 267 S +ATOM 2136 C CA . SER A 1 267 ? 2.592 -11.368 0.532 1.00 93.88 ? 267 SER A CA 1 Q76EI6 UNP 267 S +ATOM 2137 C C . SER A 1 267 ? 2.993 -11.073 -0.920 1.00 93.88 ? 267 SER A C 1 Q76EI6 UNP 267 S +ATOM 2138 C CB . SER A 1 267 ? 1.493 -12.432 0.598 1.00 93.88 ? 267 SER A CB 1 Q76EI6 UNP 267 S +ATOM 2139 O O . SER A 1 267 ? 3.782 -11.821 -1.502 1.00 93.88 ? 267 SER A O 1 Q76EI6 UNP 267 S +ATOM 2140 O OG . SER A 1 267 ? 0.347 -12.078 -0.157 1.00 93.88 ? 267 SER A OG 1 Q76EI6 UNP 267 S +ATOM 2141 N N . LEU A 1 268 ? 2.488 -9.981 -1.507 1.00 93.00 ? 268 LEU A N 1 Q76EI6 UNP 268 L +ATOM 2142 C CA . LEU A 1 268 ? 2.709 -9.597 -2.907 1.00 93.00 ? 268 LEU A CA 1 Q76EI6 UNP 268 L +ATOM 2143 C C . LEU A 1 268 ? 3.832 -8.565 -3.089 1.00 93.00 ? 268 LEU A C 1 Q76EI6 UNP 268 L +ATOM 2144 C CB . LEU A 1 268 ? 1.385 -9.101 -3.514 1.00 93.00 ? 268 LEU A CB 1 Q76EI6 UNP 268 L +ATOM 2145 O O . LEU A 1 268 ? 4.419 -8.492 -4.173 1.00 93.00 ? 268 LEU A O 1 Q76EI6 UNP 268 L +ATOM 2146 C CG . LEU A 1 268 ? 0.274 -10.167 -3.613 1.00 93.00 ? 268 LEU A CG 1 Q76EI6 UNP 268 L +ATOM 2147 C CD1 . LEU A 1 268 ? -0.973 -9.538 -4.232 1.00 93.00 ? 268 LEU A CD1 1 Q76EI6 UNP 268 L +ATOM 2148 C CD2 . LEU A 1 268 ? 0.673 -11.364 -4.481 1.00 93.00 ? 268 LEU A CD2 1 Q76EI6 UNP 268 L +ATOM 2149 N N . ASP A 1 269 ? 4.215 -7.838 -2.043 1.00 90.19 ? 269 ASP A N 1 Q76EI6 UNP 269 D +ATOM 2150 C CA . ASP A 1 269 ? 5.324 -6.877 -2.050 1.00 90.19 ? 269 ASP A CA 1 Q76EI6 UNP 269 D +ATOM 2151 C C . ASP A 1 269 ? 6.680 -7.441 -2.520 1.00 90.19 ? 269 ASP A C 1 Q76EI6 UNP 269 D +ATOM 2152 C CB . ASP A 1 269 ? 5.416 -6.201 -0.668 1.00 90.19 ? 269 ASP A CB 1 Q76EI6 UNP 269 D +ATOM 2153 O O . ASP A 1 269 ? 7.420 -6.733 -3.211 1.00 90.19 ? 269 ASP A O 1 Q76EI6 UNP 269 D +ATOM 2154 C CG . ASP A 1 269 ? 4.605 -4.897 -0.628 1.00 90.19 ? 269 ASP A CG 1 Q76EI6 UNP 269 D +ATOM 2155 O OD1 . ASP A 1 269 ? 3.698 -4.738 -1.477 1.00 90.19 ? 269 ASP A OD1 1 Q76EI6 UNP 269 D +ATOM 2156 O OD2 . ASP A 1 269 ? 5.014 -3.963 0.083 1.00 90.19 ? 269 ASP A OD2 1 Q76EI6 UNP 269 D +ATOM 2157 N N . PRO A 1 270 ? 7.026 -8.728 -2.326 1.00 84.94 ? 270 PRO A N 1 Q76EI6 UNP 270 P +ATOM 2158 C CA . PRO A 1 270 ? 8.190 -9.326 -2.981 1.00 84.94 ? 270 PRO A CA 1 Q76EI6 UNP 270 P +ATOM 2159 C C . PRO A 1 270 ? 8.194 -9.199 -4.515 1.00 84.94 ? 270 PRO A C 1 Q76EI6 UNP 270 P +ATOM 2160 C CB . PRO A 1 270 ? 8.183 -10.788 -2.531 1.00 84.94 ? 270 PRO A CB 1 Q76EI6 UNP 270 P +ATOM 2161 O O . PRO A 1 270 ? 9.266 -9.041 -5.112 1.00 84.94 ? 270 PRO A O 1 Q76EI6 UNP 270 P +ATOM 2162 C CG . PRO A 1 270 ? 7.519 -10.715 -1.157 1.00 84.94 ? 270 PRO A CG 1 Q76EI6 UNP 270 P +ATOM 2163 C CD . PRO A 1 270 ? 6.461 -9.643 -1.348 1.00 84.94 ? 270 PRO A CD 1 Q76EI6 UNP 270 P +ATOM 2164 N N . LEU A 1 271 ? 7.025 -9.205 -5.171 1.00 87.00 ? 271 LEU A N 1 Q76EI6 UNP 271 L +ATOM 2165 C CA . LEU A 1 271 ? 6.910 -8.948 -6.613 1.00 87.00 ? 271 LEU A CA 1 Q76EI6 UNP 271 L +ATOM 2166 C C . LEU A 1 271 ? 7.286 -7.500 -6.930 1.00 87.00 ? 271 LEU A C 1 Q76EI6 UNP 271 L +ATOM 2167 C CB . LEU A 1 271 ? 5.483 -9.239 -7.116 1.00 87.00 ? 271 LEU A CB 1 Q76EI6 UNP 271 L +ATOM 2168 O O . LEU A 1 271 ? 8.096 -7.250 -7.830 1.00 87.00 ? 271 LEU A O 1 Q76EI6 UNP 271 L +ATOM 2169 C CG . LEU A 1 271 ? 4.996 -10.685 -6.922 1.00 87.00 ? 271 LEU A CG 1 Q76EI6 UNP 271 L +ATOM 2170 C CD1 . LEU A 1 271 ? 3.536 -10.793 -7.359 1.00 87.00 ? 271 LEU A CD1 1 Q76EI6 UNP 271 L +ATOM 2171 C CD2 . LEU A 1 271 ? 5.824 -11.665 -7.760 1.00 87.00 ? 271 LEU A CD2 1 Q76EI6 UNP 271 L +ATOM 2172 N N . LEU A 1 272 ? 6.768 -6.548 -6.151 1.00 89.62 ? 272 LEU A N 1 Q76EI6 UNP 272 L +ATOM 2173 C CA . LEU A 1 272 ? 7.148 -5.139 -6.234 1.00 89.62 ? 272 LEU A CA 1 Q76EI6 UNP 272 L +ATOM 2174 C C . LEU A 1 272 ? 8.667 -4.987 -6.062 1.00 89.62 ? 272 LEU A C 1 Q76EI6 UNP 272 L +ATOM 2175 C CB . LEU A 1 272 ? 6.371 -4.360 -5.156 1.00 89.62 ? 272 LEU A CB 1 Q76EI6 UNP 272 L +ATOM 2176 O O . LEU A 1 272 ? 9.339 -4.348 -6.879 1.00 89.62 ? 272 LEU A O 1 Q76EI6 UNP 272 L +ATOM 2177 C CG . LEU A 1 272 ? 6.681 -2.860 -5.132 1.00 89.62 ? 272 LEU A CG 1 Q76EI6 UNP 272 L +ATOM 2178 C CD1 . LEU A 1 272 ? 5.890 -2.144 -6.213 1.00 89.62 ? 272 LEU A CD1 1 Q76EI6 UNP 272 L +ATOM 2179 C CD2 . LEU A 1 272 ? 6.319 -2.267 -3.781 1.00 89.62 ? 272 LEU A CD2 1 Q76EI6 UNP 272 L +ATOM 2180 N N . PHE A 1 273 ? 9.242 -5.626 -5.044 1.00 88.31 ? 273 PHE A N 1 Q76EI6 UNP 273 F +ATOM 2181 C CA . PHE A 1 273 ? 10.670 -5.566 -4.750 1.00 88.31 ? 273 PHE A CA 1 Q76EI6 UNP 273 F +ATOM 2182 C C . PHE A 1 273 ? 11.532 -6.176 -5.855 1.00 88.31 ? 273 PHE A C 1 Q76EI6 UNP 273 F +ATOM 2183 C CB . PHE A 1 273 ? 10.962 -6.270 -3.426 1.00 88.31 ? 273 PHE A CB 1 Q76EI6 UNP 273 F +ATOM 2184 O O . PHE A 1 273 ? 12.590 -5.624 -6.168 1.00 88.31 ? 273 PHE A O 1 Q76EI6 UNP 273 F +ATOM 2185 C CG . PHE A 1 273 ? 10.265 -5.763 -2.180 1.00 88.31 ? 273 PHE A CG 1 Q76EI6 UNP 273 F +ATOM 2186 C CD1 . PHE A 1 273 ? 9.748 -4.454 -2.106 1.00 88.31 ? 273 PHE A CD1 1 Q76EI6 UNP 273 F +ATOM 2187 C CD2 . PHE A 1 273 ? 10.123 -6.629 -1.078 1.00 88.31 ? 273 PHE A CD2 1 Q76EI6 UNP 273 F +ATOM 2188 C CE1 . PHE A 1 273 ? 9.082 -4.028 -0.947 1.00 88.31 ? 273 PHE A CE1 1 Q76EI6 UNP 273 F +ATOM 2189 C CE2 . PHE A 1 273 ? 9.448 -6.199 0.077 1.00 88.31 ? 273 PHE A CE2 1 Q76EI6 UNP 273 F +ATOM 2190 C CZ . PHE A 1 273 ? 8.925 -4.899 0.141 1.00 88.31 ? 273 PHE A CZ 1 Q76EI6 UNP 273 F +ATOM 2191 N N . TYR A 1 274 ? 11.091 -7.266 -6.487 1.00 85.19 ? 274 TYR A N 1 Q76EI6 UNP 274 Y +ATOM 2192 C CA . TYR A 1 274 ? 11.788 -7.890 -7.613 1.00 85.19 ? 274 TYR A CA 1 Q76EI6 UNP 274 Y +ATOM 2193 C C . TYR A 1 274 ? 11.961 -6.916 -8.791 1.00 85.19 ? 274 TYR A C 1 Q76EI6 UNP 274 Y +ATOM 2194 C CB . TYR A 1 274 ? 11.017 -9.149 -8.039 1.00 85.19 ? 274 TYR A CB 1 Q76EI6 UNP 274 Y +ATOM 2195 O O . TYR A 1 274 ? 13.069 -6.774 -9.337 1.00 85.19 ? 274 TYR A O 1 Q76EI6 UNP 274 Y +ATOM 2196 C CG . TYR A 1 274 ? 11.611 -9.834 -9.253 1.00 85.19 ? 274 TYR A CG 1 Q76EI6 UNP 274 Y +ATOM 2197 C CD1 . TYR A 1 274 ? 11.209 -9.447 -10.547 1.00 85.19 ? 274 TYR A CD1 1 Q76EI6 UNP 274 Y +ATOM 2198 C CD2 . TYR A 1 274 ? 12.571 -10.849 -9.087 1.00 85.19 ? 274 TYR A CD2 1 Q76EI6 UNP 274 Y +ATOM 2199 C CE1 . TYR A 1 274 ? 11.801 -10.044 -11.675 1.00 85.19 ? 274 TYR A CE1 1 Q76EI6 UNP 274 Y +ATOM 2200 C CE2 . TYR A 1 274 ? 13.154 -11.462 -10.212 1.00 85.19 ? 274 TYR A CE2 1 Q76EI6 UNP 274 Y +ATOM 2201 O OH . TYR A 1 274 ? 13.343 -11.626 -12.599 1.00 85.19 ? 274 TYR A OH 1 Q76EI6 UNP 274 Y +ATOM 2202 C CZ . TYR A 1 274 ? 12.772 -11.053 -11.508 1.00 85.19 ? 274 TYR A CZ 1 Q76EI6 UNP 274 Y +ATOM 2203 N N . PHE A 1 275 ? 10.889 -6.205 -9.160 1.00 84.50 ? 275 PHE A N 1 Q76EI6 UNP 275 F +ATOM 2204 C CA . PHE A 1 275 ? 10.924 -5.202 -10.231 1.00 84.50 ? 275 PHE A CA 1 Q76EI6 UNP 275 F +ATOM 2205 C C . PHE A 1 275 ? 11.641 -3.911 -9.808 1.00 84.50 ? 275 PHE A C 1 Q76EI6 UNP 275 F +ATOM 2206 C CB . PHE A 1 275 ? 9.499 -4.924 -10.734 1.00 84.50 ? 275 PHE A CB 1 Q76EI6 UNP 275 F +ATOM 2207 O O . PHE A 1 275 ? 12.316 -3.284 -10.629 1.00 84.50 ? 275 PHE A O 1 Q76EI6 UNP 275 F +ATOM 2208 C CG . PHE A 1 275 ? 8.875 -6.086 -11.484 1.00 84.50 ? 275 PHE A CG 1 Q76EI6 UNP 275 F +ATOM 2209 C CD1 . PHE A 1 275 ? 9.383 -6.461 -12.742 1.00 84.50 ? 275 PHE A CD1 1 Q76EI6 UNP 275 F +ATOM 2210 C CD2 . PHE A 1 275 ? 7.790 -6.792 -10.937 1.00 84.50 ? 275 PHE A CD2 1 Q76EI6 UNP 275 F +ATOM 2211 C CE1 . PHE A 1 275 ? 8.828 -7.552 -13.436 1.00 84.50 ? 275 PHE A CE1 1 Q76EI6 UNP 275 F +ATOM 2212 C CE2 . PHE A 1 275 ? 7.247 -7.894 -11.619 1.00 84.50 ? 275 PHE A CE2 1 Q76EI6 UNP 275 F +ATOM 2213 C CZ . PHE A 1 275 ? 7.765 -8.275 -12.867 1.00 84.50 ? 275 PHE A CZ 1 Q76EI6 UNP 275 F +ATOM 2214 N N . SER A 1 276 ? 11.564 -3.550 -8.525 1.00 82.31 ? 276 SER A N 1 Q76EI6 UNP 276 S +ATOM 2215 C CA . SER A 1 276 ? 12.092 -2.301 -7.962 1.00 82.31 ? 276 SER A CA 1 Q76EI6 UNP 276 S +ATOM 2216 C C . SER A 1 276 ? 13.595 -2.352 -7.628 1.00 82.31 ? 276 SER A C 1 Q76EI6 UNP 276 S +ATOM 2217 C CB . SER A 1 276 ? 11.250 -1.979 -6.719 1.00 82.31 ? 276 SER A CB 1 Q76EI6 UNP 276 S +ATOM 2218 O O . SER A 1 276 ? 14.322 -1.378 -7.855 1.00 82.31 ? 276 SER A O 1 Q76EI6 UNP 276 S +ATOM 2219 O OG . SER A 1 276 ? 11.502 -0.700 -6.174 1.00 82.31 ? 276 SER A OG 1 Q76EI6 UNP 276 S +ATOM 2220 N N . SER A 1 277 ? 14.107 -3.471 -7.104 1.00 83.25 ? 277 SER A N 1 Q76EI6 UNP 277 S +ATOM 2221 C CA . SER A 1 277 ? 15.431 -3.553 -6.468 1.00 83.25 ? 277 SER A CA 1 Q76EI6 UNP 277 S +ATOM 2222 C C . SER A 1 277 ? 16.280 -4.713 -6.986 1.00 83.25 ? 277 SER A C 1 Q76EI6 UNP 277 S +ATOM 2223 C CB . SER A 1 277 ? 15.270 -3.663 -4.952 1.00 83.25 ? 277 SER A CB 1 Q76EI6 UNP 277 S +ATOM 2224 O O . SER A 1 277 ? 15.924 -5.887 -6.899 1.00 83.25 ? 277 SER A O 1 Q76EI6 UNP 277 S +ATOM 2225 O OG . SER A 1 277 ? 16.546 -3.733 -4.333 1.00 83.25 ? 277 SER A OG 1 Q76EI6 UNP 277 S +ATOM 2226 N N . SER A 1 278 ? 17.485 -4.400 -7.473 1.00 82.94 ? 278 SER A N 1 Q76EI6 UNP 278 S +ATOM 2227 C CA . SER A 1 278 ? 18.479 -5.421 -7.831 1.00 82.94 ? 278 SER A CA 1 Q76EI6 UNP 278 S +ATOM 2228 C C . SER A 1 278 ? 19.028 -6.180 -6.628 1.00 82.94 ? 278 SER A C 1 Q76EI6 UNP 278 S +ATOM 2229 C CB . SER A 1 278 ? 19.639 -4.786 -8.602 1.00 82.94 ? 278 SER A CB 1 Q76EI6 UNP 278 S +ATOM 2230 O O . SER A 1 278 ? 19.409 -7.342 -6.773 1.00 82.94 ? 278 SER A O 1 Q76EI6 UNP 278 S +ATOM 2231 O OG . SER A 1 278 ? 20.226 -3.758 -7.833 1.00 82.94 ? 278 SER A OG 1 Q76EI6 UNP 278 S +ATOM 2232 N N . VAL A 1 279 ? 19.053 -5.545 -5.456 1.00 81.88 ? 279 VAL A N 1 Q76EI6 UNP 279 V +ATOM 2233 C CA . VAL A 1 279 ? 19.537 -6.146 -4.209 1.00 81.88 ? 279 VAL A CA 1 Q76EI6 UNP 279 V +ATOM 2234 C C . VAL A 1 279 ? 18.620 -7.287 -3.799 1.00 81.88 ? 279 VAL A C 1 Q76EI6 UNP 279 V +ATOM 2235 C CB . VAL A 1 279 ? 19.610 -5.100 -3.081 1.00 81.88 ? 279 VAL A CB 1 Q76EI6 UNP 279 V +ATOM 2236 O O . VAL A 1 279 ? 19.102 -8.374 -3.496 1.00 81.88 ? 279 VAL A O 1 Q76EI6 UNP 279 V +ATOM 2237 C CG1 . VAL A 1 279 ? 20.231 -5.689 -1.812 1.00 81.88 ? 279 VAL A CG1 1 Q76EI6 UNP 279 V +ATOM 2238 C CG2 . VAL A 1 279 ? 20.460 -3.892 -3.494 1.00 81.88 ? 279 VAL A CG2 1 Q76EI6 UNP 279 V +ATOM 2239 N N . VAL A 1 280 ? 17.308 -7.068 -3.884 1.00 80.19 ? 280 VAL A N 1 Q76EI6 UNP 280 V +ATOM 2240 C CA . VAL A 1 280 ? 16.316 -8.088 -3.547 1.00 80.19 ? 280 VAL A CA 1 Q76EI6 UNP 280 V +ATOM 2241 C C . VAL A 1 280 ? 16.417 -9.271 -4.504 1.00 80.19 ? 280 VAL A C 1 Q76EI6 UNP 280 V +ATOM 2242 C CB . VAL A 1 280 ? 14.908 -7.479 -3.480 1.00 80.19 ? 280 VAL A CB 1 Q76EI6 UNP 280 V +ATOM 2243 O O . VAL A 1 280 ? 16.540 -10.399 -4.046 1.00 80.19 ? 280 VAL A O 1 Q76EI6 UNP 280 V +ATOM 2244 C CG1 . VAL A 1 280 ? 13.885 -8.563 -3.193 1.00 80.19 ? 280 VAL A CG1 1 Q76EI6 UNP 280 V +ATOM 2245 C CG2 . VAL A 1 280 ? 14.870 -6.483 -2.315 1.00 80.19 ? 280 VAL A CG2 1 Q76EI6 UNP 280 V +ATOM 2246 N N . ARG A 1 281 ? 16.535 -9.045 -5.819 1.00 85.94 ? 281 ARG A N 1 Q76EI6 UNP 281 R +ATOM 2247 C CA . ARG A 1 281 ? 16.766 -10.151 -6.772 1.00 85.94 ? 281 ARG A CA 1 Q76EI6 UNP 281 R +ATOM 2248 C C . ARG A 1 281 ? 17.999 -10.993 -6.429 1.00 85.94 ? 281 ARG A C 1 Q76EI6 UNP 281 R +ATOM 2249 C CB . ARG A 1 281 ? 16.905 -9.629 -8.202 1.00 85.94 ? 281 ARG A CB 1 Q76EI6 UNP 281 R +ATOM 2250 O O . ARG A 1 281 ? 17.951 -12.214 -6.528 1.00 85.94 ? 281 ARG A O 1 Q76EI6 UNP 281 R +ATOM 2251 C CG . ARG A 1 281 ? 15.639 -8.933 -8.715 1.00 85.94 ? 281 ARG A CG 1 Q76EI6 UNP 281 R +ATOM 2252 C CD . ARG A 1 281 ? 15.703 -8.738 -10.233 1.00 85.94 ? 281 ARG A CD 1 Q76EI6 UNP 281 R +ATOM 2253 N NE . ARG A 1 281 ? 16.952 -8.066 -10.657 1.00 85.94 ? 281 ARG A NE 1 Q76EI6 UNP 281 R +ATOM 2254 N NH1 . ARG A 1 281 ? 16.200 -5.911 -10.458 1.00 85.94 ? 281 ARG A NH1 1 Q76EI6 UNP 281 R +ATOM 2255 N NH2 . ARG A 1 281 ? 18.312 -6.312 -11.117 1.00 85.94 ? 281 ARG A NH2 1 Q76EI6 UNP 281 R +ATOM 2256 C CZ . ARG A 1 281 ? 17.145 -6.766 -10.742 1.00 85.94 ? 281 ARG A CZ 1 Q76EI6 UNP 281 R +ATOM 2257 N N . ARG A 1 282 ? 19.099 -10.352 -6.013 1.00 86.38 ? 282 ARG A N 1 Q76EI6 UNP 282 R +ATOM 2258 C CA . ARG A 1 282 ? 20.312 -11.059 -5.565 1.00 86.38 ? 282 ARG A CA 1 Q76EI6 UNP 282 R +ATOM 2259 C C . ARG A 1 282 ? 20.075 -11.819 -4.257 1.00 86.38 ? 282 ARG A C 1 Q76EI6 UNP 282 R +ATOM 2260 C CB . ARG A 1 282 ? 21.486 -10.077 -5.412 1.00 86.38 ? 282 ARG A CB 1 Q76EI6 UNP 282 R +ATOM 2261 O O . ARG A 1 282 ? 20.571 -12.931 -4.123 1.00 86.38 ? 282 ARG A O 1 Q76EI6 UNP 282 R +ATOM 2262 C CG . ARG A 1 282 ? 22.022 -9.550 -6.751 1.00 86.38 ? 282 ARG A CG 1 Q76EI6 UNP 282 R +ATOM 2263 C CD . ARG A 1 282 ? 23.105 -8.495 -6.486 1.00 86.38 ? 282 ARG A CD 1 Q76EI6 UNP 282 R +ATOM 2264 N NE . ARG A 1 282 ? 23.667 -7.937 -7.733 1.00 86.38 ? 282 ARG A NE 1 Q76EI6 UNP 282 R +ATOM 2265 N NH1 . ARG A 1 282 ? 24.995 -6.326 -6.763 1.00 86.38 ? 282 ARG A NH1 1 Q76EI6 UNP 282 R +ATOM 2266 N NH2 . ARG A 1 282 ? 24.984 -6.547 -8.977 1.00 86.38 ? 282 ARG A NH2 1 Q76EI6 UNP 282 R +ATOM 2267 C CZ . ARG A 1 282 ? 24.538 -6.942 -7.818 1.00 86.38 ? 282 ARG A CZ 1 Q76EI6 UNP 282 R +ATOM 2268 N N . ALA A 1 283 ? 19.333 -11.241 -3.313 1.00 85.19 ? 283 ALA A N 1 Q76EI6 UNP 283 A +ATOM 2269 C CA . ALA A 1 283 ? 19.010 -11.871 -2.035 1.00 85.19 ? 283 ALA A CA 1 Q76EI6 UNP 283 A +ATOM 2270 C C . ALA A 1 283 ? 18.114 -13.107 -2.213 1.00 85.19 ? 283 ALA A C 1 Q76EI6 UNP 283 A +ATOM 2271 C CB . ALA A 1 283 ? 18.377 -10.825 -1.110 1.00 85.19 ? 283 ALA A CB 1 Q76EI6 UNP 283 A +ATOM 2272 O O . ALA A 1 283 ? 18.462 -14.168 -1.706 1.00 85.19 ? 283 ALA A O 1 Q76EI6 UNP 283 A +ATOM 2273 N N . PHE A 1 284 ? 17.035 -13.002 -2.995 1.00 84.62 ? 284 PHE A N 1 Q76EI6 UNP 284 F +ATOM 2274 C CA . PHE A 1 284 ? 16.160 -14.131 -3.334 1.00 84.62 ? 284 PHE A CA 1 Q76EI6 UNP 284 F +ATOM 2275 C C . PHE A 1 284 ? 16.899 -15.210 -4.132 1.00 84.62 ? 284 PHE A C 1 Q76EI6 UNP 284 F +ATOM 2276 C CB . PHE A 1 284 ? 14.914 -13.631 -4.080 1.00 84.62 ? 284 PHE A CB 1 Q76EI6 UNP 284 F +ATOM 2277 O O . PHE A 1 284 ? 16.757 -16.388 -3.825 1.00 84.62 ? 284 PHE A O 1 Q76EI6 UNP 284 F +ATOM 2278 C CG . PHE A 1 284 ? 13.810 -13.134 -3.161 1.00 84.62 ? 284 PHE A CG 1 Q76EI6 UNP 284 F +ATOM 2279 C CD1 . PHE A 1 284 ? 12.785 -14.008 -2.752 1.00 84.62 ? 284 PHE A CD1 1 Q76EI6 UNP 284 F +ATOM 2280 C CD2 . PHE A 1 284 ? 13.807 -11.813 -2.686 1.00 84.62 ? 284 PHE A CD2 1 Q76EI6 UNP 284 F +ATOM 2281 C CE1 . PHE A 1 284 ? 11.764 -13.554 -1.897 1.00 84.62 ? 284 PHE A CE1 1 Q76EI6 UNP 284 F +ATOM 2282 C CE2 . PHE A 1 284 ? 12.783 -11.357 -1.834 1.00 84.62 ? 284 PHE A CE2 1 Q76EI6 UNP 284 F +ATOM 2283 C CZ . PHE A 1 284 ? 11.760 -12.226 -1.443 1.00 84.62 ? 284 PHE A CZ 1 Q76EI6 UNP 284 F +ATOM 2284 N N . GLY A 1 285 ? 17.759 -14.828 -5.085 1.00 85.81 ? 285 GLY A N 1 Q76EI6 UNP 285 G +ATOM 2285 C CA . GLY A 1 285 ? 18.607 -15.784 -5.802 1.00 85.81 ? 285 GLY A CA 1 Q76EI6 UNP 285 G +ATOM 2286 C C . GLY A 1 285 ? 19.544 -16.562 -4.871 1.00 85.81 ? 285 GLY A C 1 Q76EI6 UNP 285 G +ATOM 2287 O O . GLY A 1 285 ? 19.608 -17.783 -4.948 1.00 85.81 ? 285 GLY A O 1 Q76EI6 UNP 285 G +ATOM 2288 N N . LYS A 1 286 ? 20.225 -15.878 -3.939 1.00 86.25 ? 286 LYS A N 1 Q76EI6 UNP 286 K +ATOM 2289 C CA . LYS A 1 286 ? 21.069 -16.534 -2.923 1.00 86.25 ? 286 LYS A CA 1 Q76EI6 UNP 286 K +ATOM 2290 C C . LYS A 1 286 ? 20.254 -17.410 -1.967 1.00 86.25 ? 286 LYS A C 1 Q76EI6 UNP 286 K +ATOM 2291 C CB . LYS A 1 286 ? 21.879 -15.496 -2.133 1.00 86.25 ? 286 LYS A CB 1 Q76EI6 UNP 286 K +ATOM 2292 O O . LYS A 1 286 ? 20.691 -18.509 -1.659 1.00 86.25 ? 286 LYS A O 1 Q76EI6 UNP 286 K +ATOM 2293 C CG . LYS A 1 286 ? 23.037 -14.901 -2.949 1.00 86.25 ? 286 LYS A CG 1 Q76EI6 UNP 286 K +ATOM 2294 C CD . LYS A 1 286 ? 23.839 -13.910 -2.094 1.00 86.25 ? 286 LYS A CD 1 Q76EI6 UNP 286 K +ATOM 2295 C CE . LYS A 1 286 ? 25.010 -13.338 -2.901 1.00 86.25 ? 286 LYS A CE 1 Q76EI6 UNP 286 K +ATOM 2296 N NZ . LYS A 1 286 ? 25.957 -12.577 -2.043 1.00 86.25 ? 286 LYS A NZ 1 Q76EI6 UNP 286 K +ATOM 2297 N N . GLY A 1 287 ? 19.083 -16.948 -1.523 1.00 80.31 ? 287 GLY A N 1 Q76EI6 UNP 287 G +ATOM 2298 C CA . GLY A 1 287 ? 18.182 -17.727 -0.668 1.00 80.31 ? 287 GLY A CA 1 Q76EI6 UNP 287 G +ATOM 2299 C C . GLY A 1 287 ? 17.726 -19.025 -1.336 1.00 80.31 ? 287 GLY A C 1 Q76EI6 UNP 287 G +ATOM 2300 O O . GLY A 1 287 ? 17.805 -20.085 -0.727 1.00 80.31 ? 287 GLY A O 1 Q76EI6 UNP 287 G +ATOM 2301 N N . LEU A 1 288 ? 17.350 -18.964 -2.618 1.00 81.25 ? 288 LEU A N 1 Q76EI6 UNP 288 L +ATOM 2302 C CA . LEU A 1 288 ? 16.966 -20.145 -3.393 1.00 81.25 ? 288 LEU A CA 1 Q76EI6 UNP 288 L +ATOM 2303 C C . LEU A 1 288 ? 18.136 -21.118 -3.597 1.00 81.25 ? 288 LEU A C 1 Q76EI6 UNP 288 L +ATOM 2304 C CB . LEU A 1 288 ? 16.377 -19.677 -4.736 1.00 81.25 ? 288 LEU A CB 1 Q76EI6 UNP 288 L +ATOM 2305 O O . LEU A 1 288 ? 17.943 -22.328 -3.528 1.00 81.25 ? 288 LEU A O 1 Q76EI6 UNP 288 L +ATOM 2306 C CG . LEU A 1 288 ? 15.811 -20.817 -5.604 1.00 81.25 ? 288 LEU A CG 1 Q76EI6 UNP 288 L +ATOM 2307 C CD1 . LEU A 1 288 ? 14.642 -21.533 -4.926 1.00 81.25 ? 288 LEU A CD1 1 Q76EI6 UNP 288 L +ATOM 2308 C CD2 . LEU A 1 288 ? 15.323 -20.244 -6.934 1.00 81.25 ? 288 LEU A CD2 1 Q76EI6 UNP 288 L +ATOM 2309 N N . LEU A 1 289 ? 19.354 -20.610 -3.813 1.00 85.56 ? 289 LEU A N 1 Q76EI6 UNP 289 L +ATOM 2310 C CA . LEU A 1 289 ? 20.553 -21.450 -3.904 1.00 85.56 ? 289 LEU A CA 1 Q76EI6 UNP 289 L +ATOM 2311 C C . LEU A 1 289 ? 20.871 -22.155 -2.580 1.00 85.56 ? 289 LEU A C 1 Q76EI6 UNP 289 L +ATOM 2312 C CB . LEU A 1 289 ? 21.755 -20.612 -4.370 1.00 85.56 ? 289 LEU A CB 1 Q76EI6 UNP 289 L +ATOM 2313 O O . LEU A 1 289 ? 21.242 -23.323 -2.608 1.00 85.56 ? 289 LEU A O 1 Q76EI6 UNP 289 L +ATOM 2314 C CG . LEU A 1 289 ? 21.707 -20.187 -5.848 1.00 85.56 ? 289 LEU A CG 1 Q76EI6 UNP 289 L +ATOM 2315 C CD1 . LEU A 1 289 ? 22.850 -19.208 -6.124 1.00 85.56 ? 289 LEU A CD1 1 Q76EI6 UNP 289 L +ATOM 2316 C CD2 . LEU A 1 289 ? 21.842 -21.374 -6.804 1.00 85.56 ? 289 LEU A CD2 1 Q76EI6 UNP 289 L +ATOM 2317 N N . LEU A 1 290 ? 20.689 -21.485 -1.438 1.00 82.25 ? 290 LEU A N 1 Q76EI6 UNP 290 L +ATOM 2318 C CA . LEU A 1 290 ? 20.864 -22.099 -0.115 1.00 82.25 ? 290 LEU A CA 1 Q76EI6 UNP 290 L +ATOM 2319 C C . LEU A 1 290 ? 19.816 -23.185 0.159 1.00 82.25 ? 290 LEU A C 1 Q76EI6 UNP 290 L +ATOM 2320 C CB . LEU A 1 290 ? 20.814 -21.013 0.974 1.00 82.25 ? 290 LEU A CB 1 Q76EI6 UNP 290 L +ATOM 2321 O O . LEU A 1 290 ? 20.154 -24.219 0.723 1.00 82.25 ? 290 LEU A O 1 Q76EI6 UNP 290 L +ATOM 2322 C CG . LEU A 1 290 ? 22.025 -20.064 0.995 1.00 82.25 ? 290 LEU A CG 1 Q76EI6 UNP 290 L +ATOM 2323 C CD1 . LEU A 1 290 ? 21.752 -18.908 1.961 1.00 82.25 ? 290 LEU A CD1 1 Q76EI6 UNP 290 L +ATOM 2324 C CD2 . LEU A 1 290 ? 23.311 -20.765 1.433 1.00 82.25 ? 290 LEU A CD2 1 Q76EI6 UNP 290 L +ATOM 2325 N N . LEU A 1 291 ? 18.568 -22.987 -0.281 1.00 79.19 ? 291 LEU A N 1 Q76EI6 UNP 291 L +ATOM 2326 C CA . LEU A 1 291 ? 17.527 -24.019 -0.203 1.00 79.19 ? 291 LEU A CA 1 Q76EI6 UNP 291 L +ATOM 2327 C C . LEU A 1 291 ? 17.818 -25.208 -1.128 1.00 79.19 ? 291 LEU A C 1 Q76EI6 UNP 291 L +ATOM 2328 C CB . LEU A 1 291 ? 16.159 -23.404 -0.548 1.00 79.19 ? 291 LEU A CB 1 Q76EI6 UNP 291 L +ATOM 2329 O O . LEU A 1 291 ? 17.542 -26.347 -0.768 1.00 79.19 ? 291 LEU A O 1 Q76EI6 UNP 291 L +ATOM 2330 C CG . LEU A 1 291 ? 15.600 -22.443 0.515 1.00 79.19 ? 291 LEU A CG 1 Q76EI6 UNP 291 L +ATOM 2331 C CD1 . LEU A 1 291 ? 14.348 -21.759 -0.035 1.00 79.19 ? 291 LEU A CD1 1 Q76EI6 UNP 291 L +ATOM 2332 C CD2 . LEU A 1 291 ? 15.226 -23.166 1.809 1.00 79.19 ? 291 LEU A CD2 1 Q76EI6 UNP 291 L +ATOM 2333 N N . ARG A 1 292 ? 18.384 -24.952 -2.313 1.00 83.62 ? 292 ARG A N 1 Q76EI6 UNP 292 R +ATOM 2334 C CA . ARG A 1 292 ? 18.760 -26.001 -3.272 1.00 83.62 ? 292 ARG A CA 1 Q76EI6 UNP 292 R +ATOM 2335 C C . ARG A 1 292 ? 19.988 -26.795 -2.822 1.00 83.62 ? 292 ARG A C 1 Q76EI6 UNP 292 R +ATOM 2336 C CB . ARG A 1 292 ? 18.948 -25.366 -4.656 1.00 83.62 ? 292 ARG A CB 1 Q76EI6 UNP 292 R +ATOM 2337 O O . ARG A 1 292 ? 20.030 -27.997 -3.053 1.00 83.62 ? 292 ARG A O 1 Q76EI6 UNP 292 R +ATOM 2338 C CG . ARG A 1 292 ? 19.210 -26.426 -5.733 1.00 83.62 ? 292 ARG A CG 1 Q76EI6 UNP 292 R +ATOM 2339 C CD . ARG A 1 292 ? 19.250 -25.784 -7.120 1.00 83.62 ? 292 ARG A CD 1 Q76EI6 UNP 292 R +ATOM 2340 N NE . ARG A 1 292 ? 19.564 -26.789 -8.153 1.00 83.62 ? 292 ARG A NE 1 Q76EI6 UNP 292 R +ATOM 2341 N NH1 . ARG A 1 292 ? 18.939 -25.569 -9.993 1.00 83.62 ? 292 ARG A NH1 1 Q76EI6 UNP 292 R +ATOM 2342 N NH2 . ARG A 1 292 ? 19.729 -27.639 -10.256 1.00 83.62 ? 292 ARG A NH2 1 Q76EI6 UNP 292 R +ATOM 2343 C CZ . ARG A 1 292 ? 19.410 -26.661 -9.458 1.00 83.62 ? 292 ARG A CZ 1 Q76EI6 UNP 292 R +ATOM 2344 N N . ASN A 1 293 ? 20.952 -26.140 -2.172 1.00 79.62 ? 293 ASN A N 1 Q76EI6 UNP 293 N +ATOM 2345 C CA . ASN A 1 293 ? 22.190 -26.744 -1.679 1.00 79.62 ? 293 ASN A CA 1 Q76EI6 UNP 293 N +ATOM 2346 C C . ASN A 1 293 ? 22.360 -26.512 -0.161 1.00 79.62 ? 293 ASN A C 1 Q76EI6 UNP 293 N +ATOM 2347 C CB . ASN A 1 293 ? 23.385 -26.174 -2.474 1.00 79.62 ? 293 ASN A CB 1 Q76EI6 UNP 293 N +ATOM 2348 O O . ASN A 1 293 ? 23.237 -25.738 0.236 1.00 79.62 ? 293 ASN A O 1 Q76EI6 UNP 293 N +ATOM 2349 C CG . ASN A 1 293 ? 23.458 -26.579 -3.933 1.00 79.62 ? 293 ASN A CG 1 Q76EI6 UNP 293 N +ATOM 2350 N ND2 . ASN A 1 293 ? 24.407 -26.032 -4.653 1.00 79.62 ? 293 ASN A ND2 1 Q76EI6 UNP 293 N +ATOM 2351 O OD1 . ASN A 1 293 ? 22.709 -27.379 -4.460 1.00 79.62 ? 293 ASN A OD1 1 Q76EI6 UNP 293 N +ATOM 2352 N N . PRO A 1 294 ? 21.598 -27.203 0.711 1.00 63.88 ? 294 PRO A N 1 Q76EI6 UNP 294 P +ATOM 2353 C CA . PRO A 1 294 ? 21.741 -27.052 2.163 1.00 63.88 ? 294 PRO A CA 1 Q76EI6 UNP 294 P +ATOM 2354 C C . PRO A 1 294 ? 23.165 -27.361 2.668 1.00 63.88 ? 294 PRO A C 1 Q76EI6 UNP 294 P +ATOM 2355 C CB . PRO A 1 294 ? 20.716 -28.016 2.776 1.00 63.88 ? 294 PRO A CB 1 Q76EI6 UNP 294 P +ATOM 2356 O O . PRO A 1 294 ? 23.608 -26.811 3.672 1.00 63.88 ? 294 PRO A O 1 Q76EI6 UNP 294 P +ATOM 2357 C CG . PRO A 1 294 ? 19.689 -28.235 1.668 1.00 63.88 ? 294 PRO A CG 1 Q76EI6 UNP 294 P +ATOM 2358 C CD . PRO A 1 294 ? 20.515 -28.122 0.393 1.00 63.88 ? 294 PRO A CD 1 Q76EI6 UNP 294 P +ATOM 2359 N N . GLY A 1 295 ? 23.906 -28.219 1.953 1.00 57.34 ? 295 GLY A N 1 Q76EI6 UNP 295 G +ATOM 2360 C CA . GLY A 1 295 ? 25.230 -28.705 2.353 1.00 57.34 ? 295 GLY A CA 1 Q76EI6 UNP 295 G +ATOM 2361 C C . GLY A 1 295 ? 26.410 -27.751 2.121 1.00 57.34 ? 295 GLY A C 1 Q76EI6 UNP 295 G +ATOM 2362 O O . GLY A 1 295 ? 27.481 -27.984 2.679 1.00 57.34 ? 295 GLY A O 1 Q76EI6 UNP 295 G +ATOM 2363 N N . SER A 1 296 ? 26.269 -26.665 1.348 1.00 54.59 ? 296 SER A N 1 Q76EI6 UNP 296 S +ATOM 2364 C CA . SER A 1 296 ? 27.427 -25.808 1.028 1.00 54.59 ? 296 SER A CA 1 Q76EI6 UNP 296 S +ATOM 2365 C C . SER A 1 296 ? 27.819 -24.826 2.139 1.00 54.59 ? 296 SER A C 1 Q76EI6 UNP 296 S +ATOM 2366 C CB . SER A 1 296 ? 27.257 -25.095 -0.318 1.00 54.59 ? 296 SER A CB 1 Q76EI6 UNP 296 S +ATOM 2367 O O . SER A 1 296 ? 28.903 -24.257 2.068 1.00 54.59 ? 296 SER A O 1 Q76EI6 UNP 296 S +ATOM 2368 O OG . SER A 1 296 ? 26.136 -24.233 -0.327 1.00 54.59 ? 296 SER A OG 1 Q76EI6 UNP 296 S +ATOM 2369 N N . SER A 1 297 ? 26.989 -24.615 3.171 1.00 51.66 ? 297 SER A N 1 Q76EI6 UNP 297 S +ATOM 2370 C CA . SER A 1 297 ? 27.389 -23.792 4.329 1.00 51.66 ? 297 SER A CA 1 Q76EI6 UNP 297 S +ATOM 2371 C C . SER A 1 297 ? 28.130 -24.579 5.412 1.00 51.66 ? 297 SER A C 1 Q76EI6 UNP 297 S +ATOM 2372 C CB . SER A 1 297 ? 26.199 -23.037 4.929 1.00 51.66 ? 297 SER A CB 1 Q76EI6 UNP 297 S +ATOM 2373 O O . SER A 1 297 ? 28.840 -23.969 6.204 1.00 51.66 ? 297 SER A O 1 Q76EI6 UNP 297 S +ATOM 2374 O OG . SER A 1 297 ? 25.321 -23.902 5.616 1.00 51.66 ? 297 SER A OG 1 Q76EI6 UNP 297 S +ATOM 2375 N N . MET A 1 298 ? 27.992 -25.910 5.455 1.00 44.25 ? 298 MET A N 1 Q76EI6 UNP 298 M +ATOM 2376 C CA . MET A 1 298 ? 28.688 -26.752 6.442 1.00 44.25 ? 298 MET A CA 1 Q76EI6 UNP 298 M +ATOM 2377 C C . MET A 1 298 ? 30.124 -27.088 6.015 1.00 44.25 ? 298 MET A C 1 Q76EI6 UNP 298 M +ATOM 2378 C CB . MET A 1 298 ? 27.870 -28.023 6.726 1.00 44.25 ? 298 MET A CB 1 Q76EI6 UNP 298 M +ATOM 2379 O O . MET A 1 298 ? 31.020 -27.120 6.853 1.00 44.25 ? 298 MET A O 1 Q76EI6 UNP 298 M +ATOM 2380 C CG . MET A 1 298 ? 26.649 -27.746 7.614 1.00 44.25 ? 298 MET A CG 1 Q76EI6 UNP 298 M +ATOM 2381 S SD . MET A 1 298 ? 27.068 -27.227 9.303 1.00 44.25 ? 298 MET A SD 1 Q76EI6 UNP 298 M +ATOM 2382 C CE . MET A 1 298 ? 25.422 -27.168 10.057 1.00 44.25 ? 298 MET A CE 1 Q76EI6 UNP 298 M +ATOM 2383 N N . LEU A 1 299 ? 30.378 -27.234 4.711 1.00 44.06 ? 299 LEU A N 1 Q76EI6 UNP 299 L +ATOM 2384 C CA . LEU A 1 299 ? 31.725 -27.507 4.185 1.00 44.06 ? 299 LEU A CA 1 Q76EI6 UNP 299 L +ATOM 2385 C C . LEU A 1 299 ? 32.711 -26.337 4.349 1.00 44.06 ? 299 LEU A C 1 Q76EI6 UNP 299 L +ATOM 2386 C CB . LEU A 1 299 ? 31.594 -27.951 2.717 1.00 44.06 ? 299 LEU A CB 1 Q76EI6 UNP 299 L +ATOM 2387 O O . LEU A 1 299 ? 33.915 -26.560 4.342 1.00 44.06 ? 299 LEU A O 1 Q76EI6 UNP 299 L +ATOM 2388 C CG . LEU A 1 299 ? 31.437 -29.480 2.606 1.00 44.06 ? 299 LEU A CG 1 Q76EI6 UNP 299 L +ATOM 2389 C CD1 . LEU A 1 299 ? 30.592 -29.850 1.389 1.00 44.06 ? 299 LEU A CD1 1 Q76EI6 UNP 299 L +ATOM 2390 C CD2 . LEU A 1 299 ? 32.803 -30.157 2.480 1.00 44.06 ? 299 LEU A CD2 1 Q76EI6 UNP 299 L +ATOM 2391 N N . GLY A 1 300 ? 32.223 -25.108 4.541 1.00 40.03 ? 300 GLY A N 1 Q76EI6 UNP 300 G +ATOM 2392 C CA . GLY A 1 300 ? 33.086 -23.950 4.795 1.00 40.03 ? 300 GLY A CA 1 Q76EI6 UNP 300 G +ATOM 2393 C C . GLY A 1 300 ? 33.594 -23.844 6.234 1.00 40.03 ? 300 GLY A C 1 Q76EI6 UNP 300 G +ATOM 2394 O O . GLY A 1 300 ? 34.585 -23.166 6.459 1.00 40.03 ? 300 GLY A O 1 Q76EI6 UNP 300 G +ATOM 2395 N N . ARG A 1 301 ? 32.945 -24.506 7.205 1.00 39.19 ? 301 ARG A N 1 Q76EI6 UNP 301 R +ATOM 2396 C CA . ARG A 1 301 ? 33.299 -24.368 8.629 1.00 39.19 ? 301 ARG A CA 1 Q76EI6 UNP 301 R +ATOM 2397 C C . ARG A 1 301 ? 34.207 -25.489 9.144 1.00 39.19 ? 301 ARG A C 1 Q76EI6 UNP 301 R +ATOM 2398 C CB . ARG A 1 301 ? 32.020 -24.175 9.459 1.00 39.19 ? 301 ARG A CB 1 Q76EI6 UNP 301 R +ATOM 2399 O O . ARG A 1 301 ? 34.980 -25.254 10.058 1.00 39.19 ? 301 ARG A O 1 Q76EI6 UNP 301 R +ATOM 2400 C CG . ARG A 1 301 ? 32.297 -23.354 10.727 1.00 39.19 ? 301 ARG A CG 1 Q76EI6 UNP 301 R +ATOM 2401 C CD . ARG A 1 301 ? 30.993 -23.078 11.481 1.00 39.19 ? 301 ARG A CD 1 Q76EI6 UNP 301 R +ATOM 2402 N NE . ARG A 1 301 ? 31.239 -22.244 12.671 1.00 39.19 ? 301 ARG A NE 1 Q76EI6 UNP 301 R +ATOM 2403 N NH1 . ARG A 1 301 ? 29.194 -22.517 13.674 1.00 39.19 ? 301 ARG A NH1 1 Q76EI6 UNP 301 R +ATOM 2404 N NH2 . ARG A 1 301 ? 30.776 -21.307 14.689 1.00 39.19 ? 301 ARG A NH2 1 Q76EI6 UNP 301 R +ATOM 2405 C CZ . ARG A 1 301 ? 30.403 -22.023 13.667 1.00 39.19 ? 301 ARG A CZ 1 Q76EI6 UNP 301 R +ATOM 2406 N N . GLY A 1 302 ? 34.171 -26.673 8.524 1.00 35.12 ? 302 GLY A N 1 Q76EI6 UNP 302 G +ATOM 2407 C CA . GLY A 1 302 ? 35.079 -27.780 8.868 1.00 35.12 ? 302 GLY A CA 1 Q76EI6 UNP 302 G +ATOM 2408 C C . GLY A 1 302 ? 36.482 -27.673 8.253 1.00 35.12 ? 302 GLY A C 1 Q76EI6 UNP 302 G +ATOM 2409 O O . GLY A 1 302 ? 37.417 -28.309 8.733 1.00 35.12 ? 302 GLY A O 1 Q76EI6 UNP 302 G +ATOM 2410 N N . ALA A 1 303 ? 36.658 -26.861 7.204 1.00 39.00 ? 303 ALA A N 1 Q76EI6 UNP 303 A +ATOM 2411 C CA . ALA A 1 303 ? 37.962 -26.692 6.561 1.00 39.00 ? 303 ALA A CA 1 Q76EI6 UNP 303 A +ATOM 2412 C C . ALA A 1 303 ? 38.908 -25.760 7.345 1.00 39.00 ? 303 ALA A C 1 Q76EI6 UNP 303 A +ATOM 2413 C CB . ALA A 1 303 ? 37.744 -26.226 5.118 1.00 39.00 ? 303 ALA A CB 1 Q76EI6 UNP 303 A +ATOM 2414 O O . ALA A 1 303 ? 40.119 -25.937 7.258 1.00 39.00 ? 303 ALA A O 1 Q76EI6 UNP 303 A +ATOM 2415 N N . GLU A 1 304 ? 38.383 -24.819 8.138 1.00 42.62 ? 304 GLU A N 1 Q76EI6 UNP 304 E +ATOM 2416 C CA . GLU A 1 304 ? 39.215 -23.955 8.992 1.00 42.62 ? 304 GLU A CA 1 Q76EI6 UNP 304 E +ATOM 2417 C C . GLU A 1 304 ? 39.658 -24.660 10.287 1.00 42.62 ? 304 GLU A C 1 Q76EI6 UNP 304 E +ATOM 2418 C CB . GLU A 1 304 ? 38.515 -22.606 9.254 1.00 42.62 ? 304 GLU A CB 1 Q76EI6 UNP 304 E +ATOM 2419 O O . GLU A 1 304 ? 40.797 -24.483 10.704 1.00 42.62 ? 304 GLU A O 1 Q76EI6 UNP 304 E +ATOM 2420 C CG . GLU A 1 304 ? 38.660 -21.665 8.043 1.00 42.62 ? 304 GLU A CG 1 Q76EI6 UNP 304 E +ATOM 2421 C CD . GLU A 1 304 ? 38.002 -20.286 8.244 1.00 42.62 ? 304 GLU A CD 1 Q76EI6 UNP 304 E +ATOM 2422 O OE1 . GLU A 1 304 ? 38.636 -19.272 7.869 1.00 42.62 ? 304 GLU A OE1 1 Q76EI6 UNP 304 E +ATOM 2423 O OE2 . GLU A 1 304 ? 36.829 -20.248 8.686 1.00 42.62 ? 304 GLU A OE2 1 Q76EI6 UNP 304 E +ATOM 2424 N N . GLU A 1 305 ? 38.848 -25.556 10.867 1.00 39.50 ? 305 GLU A N 1 Q76EI6 UNP 305 E +ATOM 2425 C CA . GLU A 1 305 ? 39.233 -26.267 12.103 1.00 39.50 ? 305 GLU A CA 1 Q76EI6 UNP 305 E +ATOM 2426 C C . GLU A 1 305 ? 40.284 -27.373 11.892 1.00 39.50 ? 305 GLU A C 1 Q76EI6 UNP 305 E +ATOM 2427 C CB . GLU A 1 305 ? 37.984 -26.820 12.816 1.00 39.50 ? 305 GLU A CB 1 Q76EI6 UNP 305 E +ATOM 2428 O O . GLU A 1 305 ? 40.960 -27.764 12.840 1.00 39.50 ? 305 GLU A O 1 Q76EI6 UNP 305 E +ATOM 2429 C CG . GLU A 1 305 ? 37.233 -25.714 13.582 1.00 39.50 ? 305 GLU A CG 1 Q76EI6 UNP 305 E +ATOM 2430 C CD . GLU A 1 305 ? 35.984 -26.207 14.337 1.00 39.50 ? 305 GLU A CD 1 Q76EI6 UNP 305 E +ATOM 2431 O OE1 . GLU A 1 305 ? 35.423 -25.402 15.119 1.00 39.50 ? 305 GLU A OE1 1 Q76EI6 UNP 305 E +ATOM 2432 O OE2 . GLU A 1 305 ? 35.535 -27.352 14.092 1.00 39.50 ? 305 GLU A OE2 1 Q76EI6 UNP 305 E +ATOM 2433 N N . THR A 1 306 ? 40.488 -27.863 10.662 1.00 39.88 ? 306 THR A N 1 Q76EI6 UNP 306 T +ATOM 2434 C CA . THR A 1 306 ? 41.471 -28.941 10.416 1.00 39.88 ? 306 THR A CA 1 Q76EI6 UNP 306 T +ATOM 2435 C C . THR A 1 306 ? 42.880 -28.418 10.093 1.00 39.88 ? 306 THR A C 1 Q76EI6 UNP 306 T +ATOM 2436 C CB . THR A 1 306 ? 40.993 -29.952 9.356 1.00 39.88 ? 306 THR A CB 1 Q76EI6 UNP 306 T +ATOM 2437 O O . THR A 1 306 ? 43.839 -29.185 10.125 1.00 39.88 ? 306 THR A O 1 Q76EI6 UNP 306 T +ATOM 2438 C CG2 . THR A 1 306 ? 41.574 -31.349 9.601 1.00 39.88 ? 306 THR A CG2 1 Q76EI6 UNP 306 T +ATOM 2439 O OG1 . THR A 1 306 ? 39.594 -30.158 9.372 1.00 39.88 ? 306 THR A OG1 1 Q76EI6 UNP 306 T +ATOM 2440 N N . VAL A 1 307 ? 43.052 -27.123 9.800 1.00 41.53 ? 307 VAL A N 1 Q76EI6 UNP 307 V +ATOM 2441 C CA . VAL A 1 307 ? 44.367 -26.570 9.409 1.00 41.53 ? 307 VAL A CA 1 Q76EI6 UNP 307 V +ATOM 2442 C C . VAL A 1 307 ? 45.142 -25.983 10.596 1.00 41.53 ? 307 VAL A C 1 Q76EI6 UNP 307 V +ATOM 2443 C CB . VAL A 1 307 ? 44.225 -25.598 8.218 1.00 41.53 ? 307 VAL A CB 1 Q76EI6 UNP 307 V +ATOM 2444 O O . VAL A 1 307 ? 46.368 -25.916 10.547 1.00 41.53 ? 307 VAL A O 1 Q76EI6 UNP 307 V +ATOM 2445 C CG1 . VAL A 1 307 ? 45.566 -25.003 7.762 1.00 41.53 ? 307 VAL A CG1 1 Q76EI6 UNP 307 V +ATOM 2446 C CG2 . VAL A 1 307 ? 43.644 -26.334 6.998 1.00 41.53 ? 307 VAL A CG2 1 Q76EI6 UNP 307 V +ATOM 2447 N N . GLU A 1 308 ? 44.483 -25.649 11.707 1.00 38.06 ? 308 GLU A N 1 Q76EI6 UNP 308 E +ATOM 2448 C CA . GLU A 1 308 ? 45.154 -25.036 12.868 1.00 38.06 ? 308 GLU A CA 1 Q76EI6 UNP 308 E +ATOM 2449 C C . GLU A 1 308 ? 45.814 -26.034 13.842 1.00 38.06 ? 308 GLU A C 1 Q76EI6 UNP 308 E +ATOM 2450 C CB . GLU A 1 308 ? 44.200 -24.040 13.559 1.00 38.06 ? 308 GLU A CB 1 Q76EI6 UNP 308 E +ATOM 2451 O O . GLU A 1 308 ? 46.465 -25.633 14.803 1.00 38.06 ? 308 GLU A O 1 Q76EI6 UNP 308 E +ATOM 2452 C CG . GLU A 1 308 ? 44.729 -22.607 13.373 1.00 38.06 ? 308 GLU A CG 1 Q76EI6 UNP 308 E +ATOM 2453 C CD . GLU A 1 308 ? 43.818 -21.514 13.953 1.00 38.06 ? 308 GLU A CD 1 Q76EI6 UNP 308 E +ATOM 2454 O OE1 . GLU A 1 308 ? 44.321 -20.374 14.083 1.00 38.06 ? 308 GLU A OE1 1 Q76EI6 UNP 308 E +ATOM 2455 O OE2 . GLU A 1 308 ? 42.637 -21.803 14.247 1.00 38.06 ? 308 GLU A OE2 1 Q76EI6 UNP 308 E +ATOM 2456 N N . GLY A 1 309 ? 45.722 -27.344 13.587 1.00 35.75 ? 309 GLY A N 1 Q76EI6 UNP 309 G +ATOM 2457 C CA . GLY A 1 309 ? 46.187 -28.375 14.520 1.00 35.75 ? 309 GLY A CA 1 Q76EI6 UNP 309 G +ATOM 2458 C C . GLY A 1 309 ? 47.656 -28.804 14.423 1.00 35.75 ? 309 GLY A C 1 Q76EI6 UNP 309 G +ATOM 2459 O O . GLY A 1 309 ? 48.084 -29.637 15.223 1.00 35.75 ? 309 GLY A O 1 Q76EI6 UNP 309 G +ATOM 2460 N N . THR A 1 310 ? 48.459 -28.350 13.453 1.00 34.22 ? 310 THR A N 1 Q76EI6 UNP 310 T +ATOM 2461 C CA . THR A 1 310 ? 49.835 -28.881 13.326 1.00 34.22 ? 310 THR A CA 1 Q76EI6 UNP 310 T +ATOM 2462 C C . THR A 1 310 ? 50.794 -27.922 12.626 1.00 34.22 ? 310 THR A C 1 Q76EI6 UNP 310 T +ATOM 2463 C CB . THR A 1 310 ? 49.869 -30.268 12.629 1.00 34.22 ? 310 THR A CB 1 Q76EI6 UNP 310 T +ATOM 2464 O O . THR A 1 310 ? 50.982 -28.006 11.416 1.00 34.22 ? 310 THR A O 1 Q76EI6 UNP 310 T +ATOM 2465 C CG2 . THR A 1 310 ? 51.034 -31.112 13.146 1.00 34.22 ? 310 THR A CG2 1 Q76EI6 UNP 310 T +ATOM 2466 O OG1 . THR A 1 310 ? 48.717 -31.037 12.871 1.00 34.22 ? 310 THR A OG1 1 Q76EI6 UNP 310 T +ATOM 2467 N N . LYS A 1 311 ? 51.437 -27.031 13.391 1.00 35.66 ? 311 LYS A N 1 Q76EI6 UNP 311 K +ATOM 2468 C CA . LYS A 1 311 ? 52.794 -26.504 13.126 1.00 35.66 ? 311 LYS A CA 1 Q76EI6 UNP 311 K +ATOM 2469 C C . LYS A 1 311 ? 53.258 -25.635 14.295 1.00 35.66 ? 311 LYS A C 1 Q76EI6 UNP 311 K +ATOM 2470 C CB . LYS A 1 311 ? 52.896 -25.786 11.760 1.00 35.66 ? 311 LYS A CB 1 Q76EI6 UNP 311 K +ATOM 2471 O O . LYS A 1 311 ? 53.379 -24.418 14.208 1.00 35.66 ? 311 LYS A O 1 Q76EI6 UNP 311 K +ATOM 2472 C CG . LYS A 1 311 ? 53.594 -26.693 10.728 1.00 35.66 ? 311 LYS A CG 1 Q76EI6 UNP 311 K +ATOM 2473 C CD . LYS A 1 311 ? 53.297 -26.222 9.305 1.00 35.66 ? 311 LYS A CD 1 Q76EI6 UNP 311 K +ATOM 2474 C CE . LYS A 1 311 ? 53.830 -27.240 8.297 1.00 35.66 ? 311 LYS A CE 1 Q76EI6 UNP 311 K +ATOM 2475 N NZ . LYS A 1 311 ? 53.627 -26.762 6.909 1.00 35.66 ? 311 LYS A NZ 1 Q76EI6 UNP 311 K +ATOM 2476 N N . THR A 1 312 ? 53.518 -26.303 15.409 1.00 32.56 ? 312 THR A N 1 Q76EI6 UNP 312 T +ATOM 2477 C CA . THR A 1 312 ? 54.352 -25.772 16.479 1.00 32.56 ? 312 THR A CA 1 Q76EI6 UNP 312 T +ATOM 2478 C C . THR A 1 312 ? 55.813 -25.865 16.046 1.00 32.56 ? 312 THR A C 1 Q76EI6 UNP 312 T +ATOM 2479 C CB . THR A 1 312 ? 54.144 -26.517 17.816 1.00 32.56 ? 312 THR A CB 1 Q76EI6 UNP 312 T +ATOM 2480 O O . THR A 1 312 ? 56.309 -26.939 15.718 1.00 32.56 ? 312 THR A O 1 Q76EI6 UNP 312 T +ATOM 2481 C CG2 . THR A 1 312 ? 53.877 -25.540 18.960 1.00 32.56 ? 312 THR A CG2 1 Q76EI6 UNP 312 T +ATOM 2482 O OG1 . THR A 1 312 ? 53.031 -27.388 17.761 1.00 32.56 ? 312 THR A OG1 1 Q76EI6 UNP 312 T +ATOM 2483 N N . ASP A 1 313 ? 56.463 -24.710 16.094 1.00 29.47 ? 313 ASP A N 1 Q76EI6 UNP 313 D +ATOM 2484 C CA . ASP A 1 313 ? 57.866 -24.525 16.447 1.00 29.47 ? 313 ASP A CA 1 Q76EI6 UNP 313 D +ATOM 2485 C C . ASP A 1 313 ? 58.947 -24.938 15.430 1.00 29.47 ? 313 ASP A C 1 Q76EI6 UNP 313 D +ATOM 2486 C CB . ASP A 1 313 ? 58.096 -25.083 17.868 1.00 29.47 ? 313 ASP A CB 1 Q76EI6 UNP 313 D +ATOM 2487 O O . ASP A 1 313 ? 59.379 -26.088 15.343 1.00 29.47 ? 313 ASP A O 1 Q76EI6 UNP 313 D +ATOM 2488 C CG . ASP A 1 313 ? 59.039 -24.232 18.716 1.00 29.47 ? 313 ASP A CG 1 Q76EI6 UNP 313 D +ATOM 2489 O OD1 . ASP A 1 313 ? 59.488 -23.173 18.216 1.00 29.47 ? 313 ASP A OD1 1 Q76EI6 UNP 313 D +ATOM 2490 O OD2 . ASP A 1 313 ? 59.277 -24.644 19.869 1.00 29.47 ? 313 ASP A OD2 1 Q76EI6 UNP 313 D +ATOM 2491 N N . ARG A 1 314 ? 59.454 -23.934 14.705 1.00 34.59 ? 314 ARG A N 1 Q76EI6 UNP 314 R +ATOM 2492 C CA . ARG A 1 314 ? 60.895 -23.742 14.488 1.00 34.59 ? 314 ARG A CA 1 Q76EI6 UNP 314 R +ATOM 2493 C C . ARG A 1 314 ? 61.162 -22.311 14.034 1.00 34.59 ? 314 ARG A C 1 Q76EI6 UNP 314 R +ATOM 2494 C CB . ARG A 1 314 ? 61.490 -24.771 13.508 1.00 34.59 ? 314 ARG A CB 1 Q76EI6 UNP 314 R +ATOM 2495 O O . ARG A 1 314 ? 60.784 -21.908 12.937 1.00 34.59 ? 314 ARG A O 1 Q76EI6 UNP 314 R +ATOM 2496 C CG . ARG A 1 314 ? 62.330 -25.800 14.283 1.00 34.59 ? 314 ARG A CG 1 Q76EI6 UNP 314 R +ATOM 2497 C CD . ARG A 1 314 ? 62.758 -26.958 13.385 1.00 34.59 ? 314 ARG A CD 1 Q76EI6 UNP 314 R +ATOM 2498 N NE . ARG A 1 314 ? 63.248 -28.092 14.192 1.00 34.59 ? 314 ARG A NE 1 Q76EI6 UNP 314 R +ATOM 2499 N NH1 . ARG A 1 314 ? 64.344 -29.212 12.520 1.00 34.59 ? 314 ARG A NH1 1 Q76EI6 UNP 314 R +ATOM 2500 N NH2 . ARG A 1 314 ? 64.251 -30.098 14.568 1.00 34.59 ? 314 ARG A NH2 1 Q76EI6 UNP 314 R +ATOM 2501 C CZ . ARG A 1 314 ? 63.945 -29.125 13.758 1.00 34.59 ? 314 ARG A CZ 1 Q76EI6 UNP 314 R +ATOM 2502 N N . GLY A 1 315 ? 61.811 -21.563 14.921 1.00 27.08 ? 315 GLY A N 1 Q76EI6 UNP 315 G +ATOM 2503 C CA . GLY A 1 315 ? 62.339 -20.234 14.662 1.00 27.08 ? 315 GLY A CA 1 Q76EI6 UNP 315 G +ATOM 2504 C C . GLY A 1 315 ? 63.380 -20.207 13.541 1.00 27.08 ? 315 GLY A C 1 Q76EI6 UNP 315 G +ATOM 2505 O O . GLY A 1 315 ? 64.108 -21.169 13.300 1.00 27.08 ? 315 GLY A O 1 Q76EI6 UNP 315 G +ATOM 2506 N N . GLY A 1 316 ? 63.440 -19.054 12.882 1.00 30.20 ? 316 GLY A N 1 Q76EI6 UNP 316 G +ATOM 2507 C CA . GLY A 1 316 ? 64.402 -18.721 11.842 1.00 30.20 ? 316 GLY A CA 1 Q76EI6 UNP 316 G +ATOM 2508 C C . GLY A 1 316 ? 64.249 -17.252 11.468 1.00 30.20 ? 316 GLY A C 1 Q76EI6 UNP 316 G +ATOM 2509 O O . GLY A 1 316 ? 63.443 -16.897 10.618 1.00 30.20 ? 316 GLY A O 1 Q76EI6 UNP 316 G +ATOM 2510 N N . SER A 1 317 ? 64.984 -16.406 12.181 1.00 27.41 ? 317 SER A N 1 Q76EI6 UNP 317 S +ATOM 2511 C CA . SER A 1 317 ? 65.208 -14.986 11.914 1.00 27.41 ? 317 SER A CA 1 Q76EI6 UNP 317 S +ATOM 2512 C C . SER A 1 317 ? 66.046 -14.757 10.653 1.00 27.41 ? 317 SER A C 1 Q76EI6 UNP 317 S +ATOM 2513 C CB . SER A 1 317 ? 66.031 -14.437 13.089 1.00 27.41 ? 317 SER A CB 1 Q76EI6 UNP 317 S +ATOM 2514 O O . SER A 1 317 ? 67.009 -15.500 10.476 1.00 27.41 ? 317 SER A O 1 Q76EI6 UNP 317 S +ATOM 2515 O OG . SER A 1 317 ? 67.201 -15.227 13.257 1.00 27.41 ? 317 SER A OG 1 Q76EI6 UNP 317 S +ATOM 2516 N N . GLN A 1 318 ? 65.745 -13.684 9.905 1.00 33.00 ? 318 GLN A N 1 Q76EI6 UNP 318 Q +ATOM 2517 C CA . GLN A 1 318 ? 66.633 -12.769 9.135 1.00 33.00 ? 318 GLN A CA 1 Q76EI6 UNP 318 Q +ATOM 2518 C C . GLN A 1 318 ? 65.870 -12.231 7.907 1.00 33.00 ? 318 GLN A C 1 Q76EI6 UNP 318 Q +ATOM 2519 C CB . GLN A 1 318 ? 67.999 -13.378 8.750 1.00 33.00 ? 318 GLN A CB 1 Q76EI6 UNP 318 Q +ATOM 2520 O O . GLN A 1 318 ? 65.414 -13.002 7.073 1.00 33.00 ? 318 GLN A O 1 Q76EI6 UNP 318 Q +ATOM 2521 C CG . GLN A 1 318 ? 69.006 -13.109 9.890 1.00 33.00 ? 318 GLN A CG 1 Q76EI6 UNP 318 Q +ATOM 2522 C CD . GLN A 1 318 ? 70.410 -13.635 9.622 1.00 33.00 ? 318 GLN A CD 1 Q76EI6 UNP 318 Q +ATOM 2523 N NE2 . GLN A 1 318 ? 71.259 -13.670 10.626 1.00 33.00 ? 318 GLN A NE2 1 Q76EI6 UNP 318 Q +ATOM 2524 O OE1 . GLN A 1 318 ? 70.789 -14.013 8.531 1.00 33.00 ? 318 GLN A OE1 1 Q76EI6 UNP 318 Q +ATOM 2525 N N . THR A 1 319 ? 65.386 -10.985 7.961 1.00 28.00 ? 319 THR A N 1 Q76EI6 UNP 319 T +ATOM 2526 C CA . THR A 1 319 ? 66.009 -9.721 7.490 1.00 28.00 ? 319 THR A CA 1 Q76EI6 UNP 319 T +ATOM 2527 C C . THR A 1 319 ? 65.913 -9.475 5.981 1.00 28.00 ? 319 THR A C 1 Q76EI6 UNP 319 T +ATOM 2528 C CB . THR A 1 319 ? 67.432 -9.376 7.981 1.00 28.00 ? 319 THR A CB 1 Q76EI6 UNP 319 T +ATOM 2529 O O . THR A 1 319 ? 66.486 -10.202 5.184 1.00 28.00 ? 319 THR A O 1 Q76EI6 UNP 319 T +ATOM 2530 C CG2 . THR A 1 319 ? 67.450 -8.907 9.433 1.00 28.00 ? 319 THR A CG2 1 Q76EI6 UNP 319 T +ATOM 2531 O OG1 . THR A 1 319 ? 68.310 -10.456 7.864 1.00 28.00 ? 319 THR A OG1 1 Q76EI6 UNP 319 T +ATOM 2532 N N . GLU A 1 320 ? 65.254 -8.346 5.687 1.00 28.62 ? 320 GLU A N 1 Q76EI6 UNP 320 E +ATOM 2533 C CA . GLU A 1 320 ? 65.517 -7.375 4.612 1.00 28.62 ? 320 GLU A CA 1 Q76EI6 UNP 320 E +ATOM 2534 C C . GLU A 1 320 ? 65.165 -7.722 3.156 1.00 28.62 ? 320 GLU A C 1 Q76EI6 UNP 320 E +ATOM 2535 C CB . GLU A 1 320 ? 66.932 -6.792 4.751 1.00 28.62 ? 320 GLU A CB 1 Q76EI6 UNP 320 E +ATOM 2536 O O . GLU A 1 320 ? 65.623 -8.694 2.569 1.00 28.62 ? 320 GLU A O 1 Q76EI6 UNP 320 E +ATOM 2537 C CG . GLU A 1 320 ? 67.054 -5.966 6.043 1.00 28.62 ? 320 GLU A CG 1 Q76EI6 UNP 320 E +ATOM 2538 C CD . GLU A 1 320 ? 68.462 -5.400 6.249 1.00 28.62 ? 320 GLU A CD 1 Q76EI6 UNP 320 E +ATOM 2539 O OE1 . GLU A 1 320 ? 68.540 -4.227 6.676 1.00 28.62 ? 320 GLU A OE1 1 Q76EI6 UNP 320 E +ATOM 2540 O OE2 . GLU A 1 320 ? 69.431 -6.153 6.018 1.00 28.62 ? 320 GLU A OE2 1 Q76EI6 UNP 320 E +ATOM 2541 N N . GLY A 1 321 ? 64.373 -6.830 2.544 1.00 32.19 ? 321 GLY A N 1 Q76EI6 UNP 321 G +ATOM 2542 C CA . GLY A 1 321 ? 64.030 -6.880 1.122 1.00 32.19 ? 321 GLY A CA 1 Q76EI6 UNP 321 G +ATOM 2543 C C . GLY A 1 321 ? 62.923 -5.904 0.722 1.00 32.19 ? 321 GLY A C 1 Q76EI6 UNP 321 G +ATOM 2544 O O . GLY A 1 321 ? 61.790 -6.310 0.511 1.00 32.19 ? 321 GLY A O 1 Q76EI6 UNP 321 G +ATOM 2545 N N . ALA A 1 322 ? 63.293 -4.624 0.690 1.00 33.62 ? 322 ALA A N 1 Q76EI6 UNP 322 A +ATOM 2546 C CA . ALA A 1 322 ? 62.658 -3.423 0.140 1.00 33.62 ? 322 ALA A CA 1 Q76EI6 UNP 322 A +ATOM 2547 C C . ALA A 1 322 ? 61.379 -3.500 -0.734 1.00 33.62 ? 322 ALA A C 1 Q76EI6 UNP 322 A +ATOM 2548 C CB . ALA A 1 322 ? 63.757 -2.721 -0.664 1.00 33.62 ? 322 ALA A CB 1 Q76EI6 UNP 322 A +ATOM 2549 O O . ALA A 1 322 ? 61.212 -4.317 -1.636 1.00 33.62 ? 322 ALA A O 1 Q76EI6 UNP 322 A +ATOM 2550 N N . GLN A 1 323 ? 60.559 -2.469 -0.503 1.00 28.97 ? 323 GLN A N 1 Q76EI6 UNP 323 Q +ATOM 2551 C CA . GLN A 1 323 ? 59.493 -1.923 -1.340 1.00 28.97 ? 323 GLN A CA 1 Q76EI6 UNP 323 Q +ATOM 2552 C C . GLN A 1 323 ? 59.960 -1.610 -2.774 1.00 28.97 ? 323 GLN A C 1 Q76EI6 UNP 323 Q +ATOM 2553 C CB . GLN A 1 323 ? 59.070 -0.582 -0.695 1.00 28.97 ? 323 GLN A CB 1 Q76EI6 UNP 323 Q +ATOM 2554 O O . GLN A 1 323 ? 61.008 -0.993 -2.957 1.00 28.97 ? 323 GLN A O 1 Q76EI6 UNP 323 Q +ATOM 2555 C CG . GLN A 1 323 ? 58.390 -0.705 0.682 1.00 28.97 ? 323 GLN A CG 1 Q76EI6 UNP 323 Q +ATOM 2556 C CD . GLN A 1 323 ? 58.332 0.622 1.445 1.00 28.97 ? 323 GLN A CD 1 Q76EI6 UNP 323 Q +ATOM 2557 N NE2 . GLN A 1 323 ? 57.266 0.898 2.163 1.00 28.97 ? 323 GLN A NE2 1 Q76EI6 UNP 323 Q +ATOM 2558 O OE1 . GLN A 1 323 ? 59.250 1.421 1.453 1.00 28.97 ? 323 GLN A OE1 1 Q76EI6 UNP 323 Q +ATOM 2559 N N . SER A 1 324 ? 59.114 -1.902 -3.767 1.00 33.84 ? 324 SER A N 1 Q76EI6 UNP 324 S +ATOM 2560 C CA . SER A 1 324 ? 59.095 -1.169 -5.036 1.00 33.84 ? 324 SER A CA 1 Q76EI6 UNP 324 S +ATOM 2561 C C . SER A 1 324 ? 57.660 -0.786 -5.373 1.00 33.84 ? 324 SER A C 1 Q76EI6 UNP 324 S +ATOM 2562 C CB . SER A 1 324 ? 59.742 -1.930 -6.193 1.00 33.84 ? 324 SER A CB 1 Q76EI6 UNP 324 S +ATOM 2563 O O . SER A 1 324 ? 56.749 -1.615 -5.361 1.00 33.84 ? 324 SER A O 1 Q76EI6 UNP 324 S +ATOM 2564 O OG . SER A 1 324 ? 59.943 -1.022 -7.263 1.00 33.84 ? 324 SER A OG 1 Q76EI6 UNP 324 S +ATOM 2565 N N . SER A 1 325 ? 57.491 0.507 -5.606 1.00 34.03 ? 325 SER A N 1 Q76EI6 UNP 325 S +ATOM 2566 C CA . SER A 1 325 ? 56.254 1.203 -5.917 1.00 34.03 ? 325 SER A CA 1 Q76EI6 UNP 325 S +ATOM 2567 C C . SER A 1 325 ? 56.235 1.439 -7.422 1.00 34.03 ? 325 SER A C 1 Q76EI6 UNP 325 S +ATOM 2568 C CB . SER A 1 325 ? 56.246 2.560 -5.188 1.00 34.03 ? 325 SER A CB 1 Q76EI6 UNP 325 S +ATOM 2569 O O . SER A 1 325 ? 56.985 2.286 -7.895 1.00 34.03 ? 325 SER A O 1 Q76EI6 UNP 325 S +ATOM 2570 O OG . SER A 1 325 ? 56.636 2.436 -3.830 1.00 34.03 ? 325 SER A OG 1 Q76EI6 UNP 325 S +ATOM 2571 N N . ASP A 1 326 ? 55.375 0.743 -8.161 1.00 34.81 ? 326 ASP A N 1 Q76EI6 UNP 326 D +ATOM 2572 C CA . ASP A 1 326 ? 55.165 1.036 -9.579 1.00 34.81 ? 326 ASP A CA 1 Q76EI6 UNP 326 D +ATOM 2573 C C . ASP A 1 326 ? 53.909 1.892 -9.743 1.00 34.81 ? 326 ASP A C 1 Q76EI6 UNP 326 D +ATOM 2574 C CB . ASP A 1 326 ? 55.184 -0.237 -10.436 1.00 34.81 ? 326 ASP A CB 1 Q76EI6 UNP 326 D +ATOM 2575 O O . ASP A 1 326 ? 52.768 1.434 -9.666 1.00 34.81 ? 326 ASP A O 1 Q76EI6 UNP 326 D +ATOM 2576 C CG . ASP A 1 326 ? 56.601 -0.798 -10.638 1.00 34.81 ? 326 ASP A CG 1 Q76EI6 UNP 326 D +ATOM 2577 O OD1 . ASP A 1 326 ? 57.579 -0.027 -10.521 1.00 34.81 ? 326 ASP A OD1 1 Q76EI6 UNP 326 D +ATOM 2578 O OD2 . ASP A 1 326 ? 56.692 -2.013 -10.916 1.00 34.81 ? 326 ASP A OD2 1 Q76EI6 UNP 326 D +ATOM 2579 N N . PHE A 1 327 ? 54.165 3.185 -9.924 1.00 30.03 ? 327 PHE A N 1 Q76EI6 UNP 327 F +ATOM 2580 C CA . PHE A 1 327 ? 53.227 4.188 -10.400 1.00 30.03 ? 327 PHE A CA 1 Q76EI6 UNP 327 F +ATOM 2581 C C . PHE A 1 327 ? 53.515 4.367 -11.895 1.00 30.03 ? 327 PHE A C 1 Q76EI6 UNP 327 F +ATOM 2582 C CB . PHE A 1 327 ? 53.442 5.485 -9.588 1.00 30.03 ? 327 PHE A CB 1 Q76EI6 UNP 327 F +ATOM 2583 O O . PHE A 1 327 ? 54.571 4.883 -12.253 1.00 30.03 ? 327 PHE A O 1 Q76EI6 UNP 327 F +ATOM 2584 C CG . PHE A 1 327 ? 52.188 6.271 -9.260 1.00 30.03 ? 327 PHE A CG 1 Q76EI6 UNP 327 F +ATOM 2585 C CD1 . PHE A 1 327 ? 51.739 7.307 -10.102 1.00 30.03 ? 327 PHE A CD1 1 Q76EI6 UNP 327 F +ATOM 2586 C CD2 . PHE A 1 327 ? 51.495 5.994 -8.067 1.00 30.03 ? 327 PHE A CD2 1 Q76EI6 UNP 327 F +ATOM 2587 C CE1 . PHE A 1 327 ? 50.605 8.061 -9.747 1.00 30.03 ? 327 PHE A CE1 1 Q76EI6 UNP 327 F +ATOM 2588 C CE2 . PHE A 1 327 ? 50.365 6.749 -7.709 1.00 30.03 ? 327 PHE A CE2 1 Q76EI6 UNP 327 F +ATOM 2589 C CZ . PHE A 1 327 ? 49.920 7.784 -8.549 1.00 30.03 ? 327 PHE A CZ 1 Q76EI6 UNP 327 F +ATOM 2590 N N . VAL A 1 328 ? 52.599 3.940 -12.769 1.00 39.00 ? 328 VAL A N 1 Q76EI6 UNP 328 V +ATOM 2591 C CA . VAL A 1 328 ? 52.626 4.304 -14.192 1.00 39.00 ? 328 VAL A CA 1 Q76EI6 UNP 328 V +ATOM 2592 C C . VAL A 1 328 ? 51.270 4.882 -14.575 1.00 39.00 ? 328 VAL A C 1 Q76EI6 UNP 328 V +ATOM 2593 C CB . VAL A 1 328 ? 53.079 3.165 -15.126 1.00 39.00 ? 328 VAL A CB 1 Q76EI6 UNP 328 V +ATOM 2594 O O . VAL A 1 328 ? 50.233 4.225 -14.522 1.00 39.00 ? 328 VAL A O 1 Q76EI6 UNP 328 V +ATOM 2595 C CG1 . VAL A 1 328 ? 53.052 3.609 -16.596 1.00 39.00 ? 328 VAL A CG1 1 Q76EI6 UNP 328 V +ATOM 2596 C CG2 . VAL A 1 328 ? 54.522 2.746 -14.807 1.00 39.00 ? 328 VAL A CG2 1 Q76EI6 UNP 328 V +ATOM 2597 N N . THR A 1 329 ? 51.347 6.165 -14.897 1.00 29.86 ? 329 THR A N 1 Q76EI6 UNP 329 T +ATOM 2598 C CA . THR A 1 329 ? 50.401 7.036 -15.590 1.00 29.86 ? 329 THR A CA 1 Q76EI6 UNP 329 T +ATOM 2599 C C . THR A 1 329 ? 50.113 6.578 -17.018 1.00 29.86 ? 329 THR A C 1 Q76EI6 UNP 329 T +ATOM 2600 C CB . THR A 1 329 ? 51.080 8.418 -15.719 1.00 29.86 ? 329 THR A CB 1 Q76EI6 UNP 329 T +ATOM 2601 O O . THR A 1 329 ? 51.063 6.318 -17.751 1.00 29.86 ? 329 THR A O 1 Q76EI6 UNP 329 T +ATOM 2602 C CG2 . THR A 1 329 ? 50.951 9.259 -14.454 1.00 29.86 ? 329 THR A CG2 1 Q76EI6 UNP 329 T +ATOM 2603 O OG1 . THR A 1 329 ? 52.472 8.262 -15.952 1.00 29.86 ? 329 THR A OG1 1 Q76EI6 UNP 329 T +ATOM 2604 N N . GLU A 1 330 ? 48.837 6.613 -17.412 1.00 37.78 ? 330 GLU A N 1 Q76EI6 UNP 330 E +ATOM 2605 C CA . GLU A 1 330 ? 48.285 7.531 -18.433 1.00 37.78 ? 330 GLU A CA 1 Q76EI6 UNP 330 E +ATOM 2606 C C . GLU A 1 330 ? 46.869 7.964 -18.024 1.00 37.78 ? 330 GLU A C 1 Q76EI6 UNP 330 E +ATOM 2607 C CB . GLU A 1 330 ? 48.298 6.945 -19.860 1.00 37.78 ? 330 GLU A CB 1 Q76EI6 UNP 330 E +ATOM 2608 O O . GLU A 1 330 ? 46.097 7.098 -17.544 1.00 37.78 ? 330 GLU A O 1 Q76EI6 UNP 330 E +ATOM 2609 C CG . GLU A 1 330 ? 49.633 7.193 -20.590 1.00 37.78 ? 330 GLU A CG 1 Q76EI6 UNP 330 E +ATOM 2610 C CD . GLU A 1 330 ? 49.576 6.907 -22.104 1.00 37.78 ? 330 GLU A CD 1 Q76EI6 UNP 330 E +ATOM 2611 O OE1 . GLU A 1 330 ? 50.267 7.635 -22.859 1.00 37.78 ? 330 GLU A OE1 1 Q76EI6 UNP 330 E +ATOM 2612 O OE2 . GLU A 1 330 ? 48.863 5.961 -22.520 1.00 37.78 ? 330 GLU A OE2 1 Q76EI6 UNP 330 E +ATOM 2613 O OXT . GLU A 1 330 ? 46.633 9.191 -18.091 1.00 37.78 ? 330 GLU A OXT 1 Q76EI6 UNP 330 E +# diff --git a/src/test/resources/ebi/1acj.bcif b/src/test/resources/ebi/1acj.bcif new file mode 100644 index 000000000..d1ba5ecce Binary files /dev/null and b/src/test/resources/ebi/1acj.bcif differ diff --git a/src/test/resources/snapshot/1acj.bcif b/src/test/resources/snapshot/1acj.bcif index c702a3585..c27695d86 100644 Binary files a/src/test/resources/snapshot/1acj.bcif and b/src/test/resources/snapshot/1acj.bcif differ diff --git a/src/test/resources/snapshot/1acj.bcif.gz b/src/test/resources/snapshot/1acj.bcif.gz index ebbe6bb20..c2ad80cb7 100644 Binary files a/src/test/resources/snapshot/1acj.bcif.gz and b/src/test/resources/snapshot/1acj.bcif.gz differ diff --git a/src/test/resources/snapshot/1acj.cif b/src/test/resources/snapshot/1acj.cif index ce86f0411..7be2ae942 100644 --- a/src/test/resources/snapshot/1acj.cif +++ b/src/test/resources/snapshot/1acj.cif @@ -1,161 +1,119 @@ data_1ACJ # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:40:36' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id 8h2cCaTifrxASYmesQrVqw +_model_server_result.datetime_utc '2022-06-14 23:43:27' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 1acj # _entry.id 1ACJ # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.348 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer man ACETYLCHOLINESTERASE ? ? . ? ? 3.1.1.7 -2 non-polymer syn TACRINE ? ? . ? ? ? -3 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 1ACJ +wwpdb D_1000170654 # -_exptl.entry_id 1ACJ -_exptl.method 'X-ray diffraction' +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 1ACJ +_pdbx_database_status.recvd_initial_deposition_date 1993-08-18 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 SER A 79 . ASN A 85 . SER A 79 ASN A 85 1 ? 7 -HELX_P HELX_P2 2 GLY A 132 . GLU A 139 . GLY A 132 GLU A 139 1 ? 8 -HELX_P HELX_P3 3 VAL A 168 . ASN A 183 . VAL A 168 ASN A 183 1 ? 16 -HELX_P HELX_P4 4 SER A 200 . LEU A 211 . SER A 200 LEU A 211 1 ? 12 -HELX_P HELX_P5 5 VAL A 238 . LEU A 252 . VAL A 238 LEU A 252 1 ? 15 -HELX_P HELX_P6 6 ASP A 259 . GLU A 268 . ASP A 259 GLU A 268 1 ? 10 -HELX_P HELX_P7 7 PRO A 271 . GLU A 278 . PRO A 271 GLU A 278 1 ? 8 -HELX_P HELX_P8 8 LEU A 305 . SER A 311 . LEU A 305 SER A 311 1 ? 7 -HELX_P HELX_P9 9 ARG A 349 . VAL A 360 . ARG A 349 VAL A 360 1 ? 12 -HELX_P HELX_P10 10 ASP A 365 . THR A 376 . ASP A 365 THR A 376 1 ? 12 -HELX_P HELX_P11 11 GLY A 384 . TYR A 411 . GLY A 384 TYR A 411 1 ? 28 -HELX_P HELX_P12 12 GLU A 443 . PHE A 448 . GLU A 443 PHE A 448 1 ? 6 -HELX_P HELX_P13 13 ALA A 460 . THR A 479 . ALA A 460 THR A 479 1 ? 20 -HELX_P HELX_P14 14 VAL A 518 . ALA A 534 . VAL A 518 ALA A 534 1 ? 17 +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Sussman, J.L.' 1 . +'Harel, M.' 2 . +'Silman, I.' 3 . # loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -S1 1 LEU A 6 . THR A 10 . ? LEU A 6 THR A 10 -S1 2 GLY A 13 . MET A 16 . ? GLY A 13 MET A 16 -S1 3 THR A 18 . PRO A 21 . ? THR A 18 PRO A 21 -S1 4 HIS A 26 . PRO A 34 . ? HIS A 26 PRO A 34 -S1 5 VAL A 57 . ALA A 60 . ? VAL A 57 ALA A 60 -S1 6 TYR A 96 . PRO A 102 . ? TYR A 96 PRO A 102 -S1 8 THR A 109 . TYR A 116 . ? THR A 109 TYR A 116 -S1 7 VAL A 142 . SER A 147 . ? VAL A 142 SER A 147 -S1 9 THR A 193 . GLU A 199 . ? THR A 193 GLU A 199 -S1 10 ARG A 220 . SER A 226 . ? ARG A 220 SER A 226 -S1 11 GLN A 318 . GLY A 335 . ? GLN A 318 GLY A 335 -S1 12 GLY A 417 . PHE A 423 . ? GLY A 417 PHE A 423 -S2 1 PHE A 502 . LEU A 505 . ? PHE A 502 LEU A 505 -S2 2 MET A 510 . GLN A 514 . ? MET A 510 GLN A 514 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_and_software_defined_assembly -_pdbx_struct_assembly.method_details PISA -_pdbx_struct_assembly.oligomeric_details dimeric -_pdbx_struct_assembly.oligomeric_count 2 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1,2 -_pdbx_struct_assembly_gen.asym_id_list A,B,C +_citation.book_publisher +_citation.country +_citation.id +_citation.journal_abbrev +_citation.journal_id_ASTM +_citation.journal_id_CSD +_citation.journal_id_ISSN +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.title +_citation.year +_citation.pdbx_database_id_DOI +_citation.pdbx_database_id_PubMed +? US primary Proc.Natl.Acad.Sci.USA PNASA6 40 0027-8424 90 9031 9035 'Quaternary ligand binding to aromatic residues in the active-site gorge of acetylcholinesterase.' 1993 10.1073/pnas.90.19.9031 8415649 +? US 1 Science SCIEAS 38 0036-8075 253 872 ? 'Atomic Structure of Acetylcholinesterase from Torpedo Californica: A Prototypic Acetylcholine-Binding Protein' 1991 ? ? # loop_ -_pdbx_struct_oper_list.id -_pdbx_struct_oper_list.type -_pdbx_struct_oper_list.name -_pdbx_struct_oper_list.symmetry_operation -_pdbx_struct_oper_list.matrix[1][1] -_pdbx_struct_oper_list.matrix[1][2] -_pdbx_struct_oper_list.matrix[1][3] -_pdbx_struct_oper_list.vector[1] -_pdbx_struct_oper_list.matrix[2][1] -_pdbx_struct_oper_list.matrix[2][2] -_pdbx_struct_oper_list.matrix[2][3] -_pdbx_struct_oper_list.vector[2] -_pdbx_struct_oper_list.matrix[3][1] -_pdbx_struct_oper_list.matrix[3][2] -_pdbx_struct_oper_list.matrix[3][3] -_pdbx_struct_oper_list.vector[3] -1 'identity operation' 1_555 x,y,z 1 0 0 0 0 1 0 0 0 0 1 0 -2 'crystal symmetry operation' 4_556 y,x,-z+1 -0.5 0.866025 0 0 0.866025 0.5 0 0 0 0 -1 138.1 +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Harel, M.' 1 +primary 'Schalk, I.' 2 +primary 'Ehret-Sabatier, L.' 3 +primary 'Bouet, F.' 4 +primary 'Goeldner, M.' 5 +primary 'Hirth, C.' 6 +primary 'Axelsen, P.H.' 7 +primary 'Silman, I.' 8 +primary 'Sussman, J.L.' 9 +1 'Sussman, J.' 10 +1 'Harel, M.' 11 +1 'Frolow, F.' 12 +1 'Oefner, C.' 13 +1 'Goldman, A.' 14 +1 'Toker, L.' 15 +1 'Silman, I.' 16 # +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 120 _cell.entry_id 1ACJ _cell.length_a 113.7 _cell.length_b 113.7 _cell.length_c 138.1 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 120 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 1ACJ -_symmetry.space_group_name_H-M 'P 31 2 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 152 -_symmetry.space_group_name_Hall ? +_symmetry.entry_id 1ACJ +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 152 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 31 2 1' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 60792.516 1 man polymer ACETYLCHOLINESTERASE 1 ? ? 3.1.1.7 +? 198.264 2 syn non-polymer TACRINE 1 ? ? ? +? 18.015 3 nat water water 82 ? ? ? # _entity_poly.entity_id 1 -_entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no +_entity_poly.type polypeptide(L) +_entity_poly.pdbx_strand_id A _entity_poly.pdbx_seq_one_letter_code ;DDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSG SEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHG @@ -174,1138 +132,1036 @@ LGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNV ICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTG NPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATET ; -_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 ASP n -1 2 ASP n -1 3 HIS n -1 4 SER n -1 5 GLU n -1 6 LEU n -1 7 LEU n -1 8 VAL n -1 9 ASN n -1 10 THR n -1 11 LYS n -1 12 SER n -1 13 GLY n -1 14 LYS n -1 15 VAL n -1 16 MET n -1 17 GLY n -1 18 THR n -1 19 ARG n -1 20 VAL n -1 21 PRO n -1 22 VAL n -1 23 LEU n -1 24 SER n -1 25 SER n -1 26 HIS n -1 27 ILE n -1 28 SER n -1 29 ALA n -1 30 PHE n -1 31 LEU n -1 32 GLY n -1 33 ILE n -1 34 PRO n -1 35 PHE n -1 36 ALA n -1 37 GLU n -1 38 PRO n -1 39 PRO n -1 40 VAL n -1 41 GLY n -1 42 ASN n -1 43 MET n -1 44 ARG n -1 45 PHE n -1 46 ARG n -1 47 ARG n -1 48 PRO n -1 49 GLU n -1 50 PRO n -1 51 LYS n -1 52 LYS n -1 53 PRO n -1 54 TRP n -1 55 SER n -1 56 GLY n -1 57 VAL n -1 58 TRP n -1 59 ASN n -1 60 ALA n -1 61 SER n -1 62 THR n -1 63 TYR n -1 64 PRO n -1 65 ASN n -1 66 ASN n -1 67 CYS n -1 68 GLN n -1 69 GLN n -1 70 TYR n -1 71 VAL n -1 72 ASP n -1 73 GLU n -1 74 GLN n -1 75 PHE n -1 76 PRO n -1 77 GLY n -1 78 PHE n -1 79 SER n -1 80 GLY n -1 81 SER n -1 82 GLU n -1 83 MET n -1 84 TRP n -1 85 ASN n -1 86 PRO n -1 87 ASN n -1 88 ARG n -1 89 GLU n -1 90 MET n -1 91 SER n -1 92 GLU n -1 93 ASP n -1 94 CYS n -1 95 LEU n -1 96 TYR n -1 97 LEU n -1 98 ASN n -1 99 ILE n -1 100 TRP n -1 101 VAL n -1 102 PRO n -1 103 SER n -1 104 PRO n -1 105 ARG n -1 106 PRO n -1 107 LYS n -1 108 SER n -1 109 THR n -1 110 THR n -1 111 VAL n -1 112 MET n -1 113 VAL n -1 114 TRP n -1 115 ILE n -1 116 TYR n -1 117 GLY n -1 118 GLY n -1 119 GLY n -1 120 PHE n -1 121 TYR n -1 122 SER n -1 123 GLY n -1 124 SER n -1 125 SER n -1 126 THR n -1 127 LEU n -1 128 ASP n -1 129 VAL n -1 130 TYR n -1 131 ASN n -1 132 GLY n -1 133 LYS n -1 134 TYR n -1 135 LEU n -1 136 ALA n -1 137 TYR n -1 138 THR n -1 139 GLU n -1 140 GLU n -1 141 VAL n -1 142 VAL n -1 143 LEU n -1 144 VAL n -1 145 SER n -1 146 LEU n -1 147 SER n -1 148 TYR n -1 149 ARG n -1 150 VAL n -1 151 GLY n -1 152 ALA n -1 153 PHE n -1 154 GLY n -1 155 PHE n -1 156 LEU n -1 157 ALA n -1 158 LEU n -1 159 HIS n -1 160 GLY n -1 161 SER n -1 162 GLN n -1 163 GLU n -1 164 ALA n -1 165 PRO n -1 166 GLY n -1 167 ASN n -1 168 VAL n -1 169 GLY n -1 170 LEU n -1 171 LEU n -1 172 ASP n -1 173 GLN n -1 174 ARG n -1 175 MET n -1 176 ALA n -1 177 LEU n -1 178 GLN n -1 179 TRP n -1 180 VAL n -1 181 HIS n -1 182 ASP n -1 183 ASN n -1 184 ILE n -1 185 GLN n -1 186 PHE n -1 187 PHE n -1 188 GLY n -1 189 GLY n -1 190 ASP n -1 191 PRO n -1 192 LYS n -1 193 THR n -1 194 VAL n -1 195 THR n -1 196 ILE n -1 197 PHE n -1 198 GLY n -1 199 GLU n -1 200 SER n -1 201 ALA n -1 202 GLY n -1 203 GLY n -1 204 ALA n -1 205 SER n -1 206 VAL n -1 207 GLY n -1 208 MET n -1 209 HIS n -1 210 ILE n -1 211 LEU n -1 212 SER n -1 213 PRO n -1 214 GLY n -1 215 SER n -1 216 ARG n -1 217 ASP n -1 218 LEU n -1 219 PHE n -1 220 ARG n -1 221 ARG n -1 222 ALA n -1 223 ILE n -1 224 LEU n -1 225 GLN n -1 226 SER n -1 227 GLY n -1 228 SER n -1 229 PRO n -1 230 ASN n -1 231 CYS n -1 232 PRO n -1 233 TRP n -1 234 ALA n -1 235 SER n -1 236 VAL n -1 237 SER n -1 238 VAL n -1 239 ALA n -1 240 GLU n -1 241 GLY n -1 242 ARG n -1 243 ARG n -1 244 ARG n -1 245 ALA n -1 246 VAL n -1 247 GLU n -1 248 LEU n -1 249 GLY n -1 250 ARG n -1 251 ASN n -1 252 LEU n -1 253 ASN n -1 254 CYS n -1 255 ASN n -1 256 LEU n -1 257 ASN n -1 258 SER n -1 259 ASP n -1 260 GLU n -1 261 GLU n -1 262 LEU n -1 263 ILE n -1 264 HIS n -1 265 CYS n -1 266 LEU n -1 267 ARG n -1 268 GLU n -1 269 LYS n -1 270 LYS n -1 271 PRO n -1 272 GLN n -1 273 GLU n -1 274 LEU n -1 275 ILE n -1 276 ASP n -1 277 VAL n -1 278 GLU n -1 279 TRP n -1 280 ASN n -1 281 VAL n -1 282 LEU n -1 283 PRO n -1 284 PHE n -1 285 ASP n -1 286 SER n -1 287 ILE n -1 288 PHE n -1 289 ARG n -1 290 PHE n -1 291 SER n -1 292 PHE n -1 293 VAL n -1 294 PRO n -1 295 VAL n -1 296 ILE n -1 297 ASP n -1 298 GLY n -1 299 GLU n -1 300 PHE n -1 301 PHE n -1 302 PRO n -1 303 THR n -1 304 SER n -1 305 LEU n -1 306 GLU n -1 307 SER n -1 308 MET n -1 309 LEU n -1 310 ASN n -1 311 SER n -1 312 GLY n -1 313 ASN n -1 314 PHE n -1 315 LYS n -1 316 LYS n -1 317 THR n -1 318 GLN n -1 319 ILE n -1 320 LEU n -1 321 LEU n -1 322 GLY n -1 323 VAL n -1 324 ASN n -1 325 LYS n -1 326 ASP n -1 327 GLU n -1 328 GLY n -1 329 SER n -1 330 PHE n -1 331 PHE n -1 332 LEU n -1 333 LEU n -1 334 TYR n -1 335 GLY n -1 336 ALA n -1 337 PRO n -1 338 GLY n -1 339 PHE n -1 340 SER n -1 341 LYS n -1 342 ASP n -1 343 SER n -1 344 GLU n -1 345 SER n -1 346 LYS n -1 347 ILE n -1 348 SER n -1 349 ARG n -1 350 GLU n -1 351 ASP n -1 352 PHE n -1 353 MET n -1 354 SER n -1 355 GLY n -1 356 VAL n -1 357 LYS n -1 358 LEU n -1 359 SER n -1 360 VAL n -1 361 PRO n -1 362 HIS n -1 363 ALA n -1 364 ASN n -1 365 ASP n -1 366 LEU n -1 367 GLY n -1 368 LEU n -1 369 ASP n -1 370 ALA n -1 371 VAL n -1 372 THR n -1 373 LEU n -1 374 GLN n -1 375 TYR n -1 376 THR n -1 377 ASP n -1 378 TRP n -1 379 MET n -1 380 ASP n -1 381 ASP n -1 382 ASN n -1 383 ASN n -1 384 GLY n -1 385 ILE n -1 386 LYS n -1 387 ASN n -1 388 ARG n -1 389 ASP n -1 390 GLY n -1 391 LEU n -1 392 ASP n -1 393 ASP n -1 394 ILE n -1 395 VAL n -1 396 GLY n -1 397 ASP n -1 398 HIS n -1 399 ASN n -1 400 VAL n -1 401 ILE n -1 402 CYS n -1 403 PRO n -1 404 LEU n -1 405 MET n -1 406 HIS n -1 407 PHE n -1 408 VAL n -1 409 ASN n -1 410 LYS n -1 411 TYR n -1 412 THR n -1 413 LYS n -1 414 PHE n -1 415 GLY n -1 416 ASN n -1 417 GLY n -1 418 THR n -1 419 TYR n -1 420 LEU n -1 421 TYR n -1 422 PHE n -1 423 PHE n -1 424 ASN n -1 425 HIS n -1 426 ARG n -1 427 ALA n -1 428 SER n -1 429 ASN n -1 430 LEU n -1 431 VAL n -1 432 TRP n -1 433 PRO n -1 434 GLU n -1 435 TRP n -1 436 MET n -1 437 GLY n -1 438 VAL n -1 439 ILE n -1 440 HIS n -1 441 GLY n -1 442 TYR n -1 443 GLU n -1 444 ILE n -1 445 GLU n -1 446 PHE n -1 447 VAL n -1 448 PHE n -1 449 GLY n -1 450 LEU n -1 451 PRO n -1 452 LEU n -1 453 VAL n -1 454 LYS n -1 455 GLU n -1 456 LEU n -1 457 ASN n -1 458 TYR n -1 459 THR n -1 460 ALA n -1 461 GLU n -1 462 GLU n -1 463 GLU n -1 464 ALA n -1 465 LEU n -1 466 SER n -1 467 ARG n -1 468 ARG n -1 469 ILE n -1 470 MET n -1 471 HIS n -1 472 TYR n -1 473 TRP n -1 474 ALA n -1 475 THR n -1 476 PHE n -1 477 ALA n -1 478 LYS n -1 479 THR n -1 480 GLY n -1 481 ASN n -1 482 PRO n -1 483 ASN n -1 484 GLU n -1 485 PRO n -1 486 HIS n -1 487 SER n -1 488 GLN n -1 489 GLU n -1 490 SER n -1 491 LYS n -1 492 TRP n -1 493 PRO n -1 494 LEU n -1 495 PHE n -1 496 THR n -1 497 THR n -1 498 LYS n -1 499 GLU n -1 500 GLN n -1 501 LYS n -1 502 PHE n -1 503 ILE n -1 504 ASP n -1 505 LEU n -1 506 ASN n -1 507 THR n -1 508 GLU n -1 509 PRO n -1 510 MET n -1 511 LYS n -1 512 VAL n -1 513 HIS n -1 514 GLN n -1 515 ARG n -1 516 LEU n -1 517 ARG n -1 518 VAL n -1 519 GLN n -1 520 MET n -1 521 CYS n -1 522 VAL n -1 523 PHE n -1 524 TRP n -1 525 ASN n -1 526 GLN n -1 527 PHE n -1 528 LEU n -1 529 PRO n -1 530 LYS n -1 531 LEU n -1 532 LEU n -1 533 ASN n -1 534 ALA n -1 535 THR n -1 536 GLU n -1 537 THR n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ASP 1 +1 n ASP 2 +1 n HIS 3 +1 n SER 4 +1 n GLU 5 +1 n LEU 6 +1 n LEU 7 +1 n VAL 8 +1 n ASN 9 +1 n THR 10 +1 n LYS 11 +1 n SER 12 +1 n GLY 13 +1 n LYS 14 +1 n VAL 15 +1 n MET 16 +1 n GLY 17 +1 n THR 18 +1 n ARG 19 +1 n VAL 20 +1 n PRO 21 +1 n VAL 22 +1 n LEU 23 +1 n SER 24 +1 n SER 25 +1 n HIS 26 +1 n ILE 27 +1 n SER 28 +1 n ALA 29 +1 n PHE 30 +1 n LEU 31 +1 n GLY 32 +1 n ILE 33 +1 n PRO 34 +1 n PHE 35 +1 n ALA 36 +1 n GLU 37 +1 n PRO 38 +1 n PRO 39 +1 n VAL 40 +1 n GLY 41 +1 n ASN 42 +1 n MET 43 +1 n ARG 44 +1 n PHE 45 +1 n ARG 46 +1 n ARG 47 +1 n PRO 48 +1 n GLU 49 +1 n PRO 50 +1 n LYS 51 +1 n LYS 52 +1 n PRO 53 +1 n TRP 54 +1 n SER 55 +1 n GLY 56 +1 n VAL 57 +1 n TRP 58 +1 n ASN 59 +1 n ALA 60 +1 n SER 61 +1 n THR 62 +1 n TYR 63 +1 n PRO 64 +1 n ASN 65 +1 n ASN 66 +1 n CYS 67 +1 n GLN 68 +1 n GLN 69 +1 n TYR 70 +1 n VAL 71 +1 n ASP 72 +1 n GLU 73 +1 n GLN 74 +1 n PHE 75 +1 n PRO 76 +1 n GLY 77 +1 n PHE 78 +1 n SER 79 +1 n GLY 80 +1 n SER 81 +1 n GLU 82 +1 n MET 83 +1 n TRP 84 +1 n ASN 85 +1 n PRO 86 +1 n ASN 87 +1 n ARG 88 +1 n GLU 89 +1 n MET 90 +1 n SER 91 +1 n GLU 92 +1 n ASP 93 +1 n CYS 94 +1 n LEU 95 +1 n TYR 96 +1 n LEU 97 +1 n ASN 98 +1 n ILE 99 +1 n TRP 100 +1 n VAL 101 +1 n PRO 102 +1 n SER 103 +1 n PRO 104 +1 n ARG 105 +1 n PRO 106 +1 n LYS 107 +1 n SER 108 +1 n THR 109 +1 n THR 110 +1 n VAL 111 +1 n MET 112 +1 n VAL 113 +1 n TRP 114 +1 n ILE 115 +1 n TYR 116 +1 n GLY 117 +1 n GLY 118 +1 n GLY 119 +1 n PHE 120 +1 n TYR 121 +1 n SER 122 +1 n GLY 123 +1 n SER 124 +1 n SER 125 +1 n THR 126 +1 n LEU 127 +1 n ASP 128 +1 n VAL 129 +1 n TYR 130 +1 n ASN 131 +1 n GLY 132 +1 n LYS 133 +1 n TYR 134 +1 n LEU 135 +1 n ALA 136 +1 n TYR 137 +1 n THR 138 +1 n GLU 139 +1 n GLU 140 +1 n VAL 141 +1 n VAL 142 +1 n LEU 143 +1 n VAL 144 +1 n SER 145 +1 n LEU 146 +1 n SER 147 +1 n TYR 148 +1 n ARG 149 +1 n VAL 150 +1 n GLY 151 +1 n ALA 152 +1 n PHE 153 +1 n GLY 154 +1 n PHE 155 +1 n LEU 156 +1 n ALA 157 +1 n LEU 158 +1 n HIS 159 +1 n GLY 160 +1 n SER 161 +1 n GLN 162 +1 n GLU 163 +1 n ALA 164 +1 n PRO 165 +1 n GLY 166 +1 n ASN 167 +1 n VAL 168 +1 n GLY 169 +1 n LEU 170 +1 n LEU 171 +1 n ASP 172 +1 n GLN 173 +1 n ARG 174 +1 n MET 175 +1 n ALA 176 +1 n LEU 177 +1 n GLN 178 +1 n TRP 179 +1 n VAL 180 +1 n HIS 181 +1 n ASP 182 +1 n ASN 183 +1 n ILE 184 +1 n GLN 185 +1 n PHE 186 +1 n PHE 187 +1 n GLY 188 +1 n GLY 189 +1 n ASP 190 +1 n PRO 191 +1 n LYS 192 +1 n THR 193 +1 n VAL 194 +1 n THR 195 +1 n ILE 196 +1 n PHE 197 +1 n GLY 198 +1 n GLU 199 +1 n SER 200 +1 n ALA 201 +1 n GLY 202 +1 n GLY 203 +1 n ALA 204 +1 n SER 205 +1 n VAL 206 +1 n GLY 207 +1 n MET 208 +1 n HIS 209 +1 n ILE 210 +1 n LEU 211 +1 n SER 212 +1 n PRO 213 +1 n GLY 214 +1 n SER 215 +1 n ARG 216 +1 n ASP 217 +1 n LEU 218 +1 n PHE 219 +1 n ARG 220 +1 n ARG 221 +1 n ALA 222 +1 n ILE 223 +1 n LEU 224 +1 n GLN 225 +1 n SER 226 +1 n GLY 227 +1 n SER 228 +1 n PRO 229 +1 n ASN 230 +1 n CYS 231 +1 n PRO 232 +1 n TRP 233 +1 n ALA 234 +1 n SER 235 +1 n VAL 236 +1 n SER 237 +1 n VAL 238 +1 n ALA 239 +1 n GLU 240 +1 n GLY 241 +1 n ARG 242 +1 n ARG 243 +1 n ARG 244 +1 n ALA 245 +1 n VAL 246 +1 n GLU 247 +1 n LEU 248 +1 n GLY 249 +1 n ARG 250 +1 n ASN 251 +1 n LEU 252 +1 n ASN 253 +1 n CYS 254 +1 n ASN 255 +1 n LEU 256 +1 n ASN 257 +1 n SER 258 +1 n ASP 259 +1 n GLU 260 +1 n GLU 261 +1 n LEU 262 +1 n ILE 263 +1 n HIS 264 +1 n CYS 265 +1 n LEU 266 +1 n ARG 267 +1 n GLU 268 +1 n LYS 269 +1 n LYS 270 +1 n PRO 271 +1 n GLN 272 +1 n GLU 273 +1 n LEU 274 +1 n ILE 275 +1 n ASP 276 +1 n VAL 277 +1 n GLU 278 +1 n TRP 279 +1 n ASN 280 +1 n VAL 281 +1 n LEU 282 +1 n PRO 283 +1 n PHE 284 +1 n ASP 285 +1 n SER 286 +1 n ILE 287 +1 n PHE 288 +1 n ARG 289 +1 n PHE 290 +1 n SER 291 +1 n PHE 292 +1 n VAL 293 +1 n PRO 294 +1 n VAL 295 +1 n ILE 296 +1 n ASP 297 +1 n GLY 298 +1 n GLU 299 +1 n PHE 300 +1 n PHE 301 +1 n PRO 302 +1 n THR 303 +1 n SER 304 +1 n LEU 305 +1 n GLU 306 +1 n SER 307 +1 n MET 308 +1 n LEU 309 +1 n ASN 310 +1 n SER 311 +1 n GLY 312 +1 n ASN 313 +1 n PHE 314 +1 n LYS 315 +1 n LYS 316 +1 n THR 317 +1 n GLN 318 +1 n ILE 319 +1 n LEU 320 +1 n LEU 321 +1 n GLY 322 +1 n VAL 323 +1 n ASN 324 +1 n LYS 325 +1 n ASP 326 +1 n GLU 327 +1 n GLY 328 +1 n SER 329 +1 n PHE 330 +1 n PHE 331 +1 n LEU 332 +1 n LEU 333 +1 n TYR 334 +1 n GLY 335 +1 n ALA 336 +1 n PRO 337 +1 n GLY 338 +1 n PHE 339 +1 n SER 340 +1 n LYS 341 +1 n ASP 342 +1 n SER 343 +1 n GLU 344 +1 n SER 345 +1 n LYS 346 +1 n ILE 347 +1 n SER 348 +1 n ARG 349 +1 n GLU 350 +1 n ASP 351 +1 n PHE 352 +1 n MET 353 +1 n SER 354 +1 n GLY 355 +1 n VAL 356 +1 n LYS 357 +1 n LEU 358 +1 n SER 359 +1 n VAL 360 +1 n PRO 361 +1 n HIS 362 +1 n ALA 363 +1 n ASN 364 +1 n ASP 365 +1 n LEU 366 +1 n GLY 367 +1 n LEU 368 +1 n ASP 369 +1 n ALA 370 +1 n VAL 371 +1 n THR 372 +1 n LEU 373 +1 n GLN 374 +1 n TYR 375 +1 n THR 376 +1 n ASP 377 +1 n TRP 378 +1 n MET 379 +1 n ASP 380 +1 n ASP 381 +1 n ASN 382 +1 n ASN 383 +1 n GLY 384 +1 n ILE 385 +1 n LYS 386 +1 n ASN 387 +1 n ARG 388 +1 n ASP 389 +1 n GLY 390 +1 n LEU 391 +1 n ASP 392 +1 n ASP 393 +1 n ILE 394 +1 n VAL 395 +1 n GLY 396 +1 n ASP 397 +1 n HIS 398 +1 n ASN 399 +1 n VAL 400 +1 n ILE 401 +1 n CYS 402 +1 n PRO 403 +1 n LEU 404 +1 n MET 405 +1 n HIS 406 +1 n PHE 407 +1 n VAL 408 +1 n ASN 409 +1 n LYS 410 +1 n TYR 411 +1 n THR 412 +1 n LYS 413 +1 n PHE 414 +1 n GLY 415 +1 n ASN 416 +1 n GLY 417 +1 n THR 418 +1 n TYR 419 +1 n LEU 420 +1 n TYR 421 +1 n PHE 422 +1 n PHE 423 +1 n ASN 424 +1 n HIS 425 +1 n ARG 426 +1 n ALA 427 +1 n SER 428 +1 n ASN 429 +1 n LEU 430 +1 n VAL 431 +1 n TRP 432 +1 n PRO 433 +1 n GLU 434 +1 n TRP 435 +1 n MET 436 +1 n GLY 437 +1 n VAL 438 +1 n ILE 439 +1 n HIS 440 +1 n GLY 441 +1 n TYR 442 +1 n GLU 443 +1 n ILE 444 +1 n GLU 445 +1 n PHE 446 +1 n VAL 447 +1 n PHE 448 +1 n GLY 449 +1 n LEU 450 +1 n PRO 451 +1 n LEU 452 +1 n VAL 453 +1 n LYS 454 +1 n GLU 455 +1 n LEU 456 +1 n ASN 457 +1 n TYR 458 +1 n THR 459 +1 n ALA 460 +1 n GLU 461 +1 n GLU 462 +1 n GLU 463 +1 n ALA 464 +1 n LEU 465 +1 n SER 466 +1 n ARG 467 +1 n ARG 468 +1 n ILE 469 +1 n MET 470 +1 n HIS 471 +1 n TYR 472 +1 n TRP 473 +1 n ALA 474 +1 n THR 475 +1 n PHE 476 +1 n ALA 477 +1 n LYS 478 +1 n THR 479 +1 n GLY 480 +1 n ASN 481 +1 n PRO 482 +1 n ASN 483 +1 n GLU 484 +1 n PRO 485 +1 n HIS 486 +1 n SER 487 +1 n GLN 488 +1 n GLU 489 +1 n SER 490 +1 n LYS 491 +1 n TRP 492 +1 n PRO 493 +1 n LEU 494 +1 n PHE 495 +1 n THR 496 +1 n THR 497 +1 n LYS 498 +1 n GLU 499 +1 n GLN 500 +1 n LYS 501 +1 n PHE 502 +1 n ILE 503 +1 n ASP 504 +1 n LEU 505 +1 n ASN 506 +1 n THR 507 +1 n GLU 508 +1 n PRO 509 +1 n MET 510 +1 n LYS 511 +1 n VAL 512 +1 n HIS 513 +1 n GLN 514 +1 n ARG 515 +1 n LEU 516 +1 n ARG 517 +1 n VAL 518 +1 n GLN 519 +1 n MET 520 +1 n CYS 521 +1 n VAL 522 +1 n PHE 523 +1 n TRP 524 +1 n ASN 525 +1 n GLN 526 +1 n PHE 527 +1 n LEU 528 +1 n PRO 529 +1 n LYS 530 +1 n LEU 531 +1 n LEU 532 +1 n ASN 533 +1 n ALA 534 +1 n THR 535 +1 n GLU 536 +1 n THR 537 +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Torpedo californica' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code ACES_TORCA +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P04058 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;MNLLVTSSLGVLLHLVVLCQADDHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWN +ASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTE +EVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLF +RRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGE +FFPTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWM +DDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYT +AEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNATACDG +ELSSSGTSSSKGIIFYVLFSILYLIF +; +_struct_ref.pdbx_db_isoform . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1ACJ +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code . +_struct_ref_seq.seq_align_end 535 +_struct_ref_seq.pdbx_seq_align_end_ins_code . +_struct_ref_seq.pdbx_db_accession P04058 +_struct_ref_seq.db_align_beg 22 +_struct_ref_seq.pdbx_db_align_beg_ins_code . +_struct_ref_seq.db_align_end 556 +_struct_ref_seq.pdbx_db_align_end_ins_code . +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 535 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? +'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? +'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? +'C13 H14 N2' 198.264 THA . TACRINE non-polymer ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? +# +_exptl.entry_id 1ACJ +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 4.24 +_exptl_crystal.density_percent_sol 70.97 +_exptl_crystal.description . +_exptl_crystal.F_000 . +_exptl_crystal.preparation . +# +_diffrn.id 1 +_diffrn.ambient_temp . +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l . +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol . +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1 +# +_refine.entry_id 1ACJ +_refine.ls_number_reflns_obs 23213 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F 0 +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 8 +_refine.ls_d_res_high 2.8 +_refine.ls_percent_reflns_obs . +_refine.ls_R_factor_obs 0.195 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work 0.195 +_refine.ls_R_factor_R_free . +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free . +_refine.ls_number_reflns_R_free . +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.B_iso_mean . +_refine.aniso_B[1][1] . +_refine.aniso_B[2][2] . +_refine.aniso_B[3][3] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][3] . +_refine.solvent_model_details . +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_ls_cross_valid_method . +_refine.details +;THE STRUCTURE WAS REFINED STARTING FROM NATIVE COORDINATES +USING X-PLOR. 82 WATER MOLECULES ARE INCLUDED. +; +_refine.pdbx_starting_model . +_refine.pdbx_method_to_determine_struct . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.overall_SU_ML . +_refine.overall_SU_B . +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.ls_redundancy_reflns_obs . +_refine.pdbx_overall_phase_error . +_refine.B_iso_min . +_refine.B_iso_max . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.pdbx_solvent_vdw_probe_radii . +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii . +_refine.overall_SU_R_Cruickshank_DPI . +_refine.overall_SU_R_free . +_refine.ls_wR_factor_R_free . +_refine.ls_wR_factor_R_work . +_refine.overall_FOM_free_R_set . +_refine.overall_FOM_work_R_set . +_refine.pdbx_TLS_residual_ADP_flag . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 4095 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 15 +_refine_hist.number_atoms_solvent 82 +_refine_hist.number_atoms_total 4192 +_refine_hist.d_res_high 2.8 +_refine_hist.d_res_low 8 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.025 . . . 'X-RAY DIFFRACTION' . +x_bond_d_na . . . . 'X-RAY DIFFRACTION' . +x_bond_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_d . . . . 'X-RAY DIFFRACTION' . +x_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_deg . . . . 'X-RAY DIFFRACTION' . +x_angle_deg_na . . . . 'X-RAY DIFFRACTION' . +x_angle_deg_prot . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_mcbond_it . . . . 'X-RAY DIFFRACTION' . +x_mcangle_it . . . . 'X-RAY DIFFRACTION' . +x_scbond_it . . . . 'X-RAY DIFFRACTION' . +x_scangle_it . . . . 'X-RAY DIFFRACTION' . +# +_struct.entry_id 1ACJ +_struct.title 'QUATERNARY LIGAND BINDING TO AROMATIC RESIDUES IN THE ACTIVE-SITE GORGE OF ACETYLCHOLINESTERASE' +_struct.pdbx_descriptor . +# +_struct_keywords.entry_id 1ACJ +_struct_keywords.text 'HYDROLASE(CARBOXYLIC ESTERASE)' +_struct_keywords.pdbx_keywords 'HYDROLASE(CARBOXYLIC ESTERASE)' # loop_ +_struct_asym.details +_struct_asym.entity_id _struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' -C N Y 3 'Might not contain all original atoms depending on the query used' +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +? 3 C N N +# +_struct_biol.id 1 +_struct_biol.details . +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_entity_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_auth_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.end_label_asym_id +_struct_conf.end_label_entity_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_auth_asym_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +helx_p helx_p1 SER 79 . A 1 SER 79 A ASN 85 . A 1 ASN 85 A 1 ? 7 +helx_p helx_p2 GLY 132 . A 1 GLY 132 A GLU 139 . A 1 GLU 139 A 1 ? 8 +helx_p helx_p3 VAL 168 . A 1 VAL 168 A ASN 183 . A 1 ASN 183 A 1 ? 16 +helx_p helx_p4 SER 200 . A 1 SER 200 A LEU 211 . A 1 LEU 211 A 1 ? 12 +helx_p helx_p5 VAL 238 . A 1 VAL 238 A LEU 252 . A 1 LEU 252 A 1 ? 15 +helx_p helx_p6 ASP 259 . A 1 ASP 259 A GLU 268 . A 1 GLU 268 A 1 ? 10 +helx_p helx_p7 PRO 271 . A 1 PRO 271 A GLU 278 . A 1 GLU 278 A 1 ? 8 +helx_p helx_p8 LEU 305 . A 1 LEU 305 A SER 311 . A 1 SER 311 A 1 ? 7 +helx_p helx_p9 SER 329 . A 1 SER 329 A GLY 335 . A 1 GLY 335 A 1 ? 7 +helx_p helx_p10 ARG 349 . A 1 ARG 349 A VAL 360 . A 1 VAL 360 A 1 ? 12 +helx_p helx_p11 ASP 365 . A 1 ASP 365 A THR 376 . A 1 THR 376 A 1 ? 12 +helx_p helx_p12 GLY 384 . A 1 GLY 384 A TYR 411 . A 1 TYR 411 A 1 ? 28 +helx_p helx_p13 GLU 443 . A 1 GLU 443 A PHE 448 . A 1 PHE 448 A 1 ? 6 +helx_p helx_p14 ALA 460 . A 1 ALA 460 A THR 479 . A 1 THR 479 A 1 ? 20 +helx_p helx_p15 VAL 518 . A 1 VAL 518 A ALA 534 . A 1 ALA 534 A 1 ? 17 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . # loop_ -_struct_conn.id _struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id +_struct_conn.details +_struct_conn.id _struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details +_struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order -disulf1 disulf ? A CYS 67 SG ? ? ? 1_555 A CYS 94 SG ? ? A CYS 67 A CYS 94 1_555 ? ? ? ? ? ? ? 2.04 ? -disulf2 disulf ? A CYS 254 SG ? ? ? 1_555 A CYS 265 SG ? ? A CYS 254 A CYS 265 1_555 ? ? ? ? ? ? ? 2.032 ? -disulf3 disulf ? A CYS 402 SG ? ? ? 1_555 A CYS 521 SG ? ? A CYS 402 A CYS 521 1_555 ? ? ? ? ? ? ? 2.068 ? +disulf ? disulf1 A SG CYS 67 A CYS 67 1_555 A SG CYS 94 A CYS 94 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.04 ? +disulf ? disulf2 A SG CYS 254 A CYS 254 1_555 A SG CYS 265 A CYS 265 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.032 ? +disulf ? disulf3 A SG CYS 402 A CYS 402 1_555 A SG CYS 521 A CYS 521 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.068 ? # -_struct_conn_type.id disulf _struct_conn_type.criteria ? +_struct_conn_type.id disulf _struct_conn_type.reference ? # +_struct_mon_prot_cis.pdbx_id 1 +_struct_mon_prot_cis.label_comp_id SER +_struct_mon_prot_cis.label_seq_id 103 +_struct_mon_prot_cis.label_asym_id A +_struct_mon_prot_cis.label_alt_id . +_struct_mon_prot_cis.pdbx_PDB_ins_code . +_struct_mon_prot_cis.auth_comp_id SER +_struct_mon_prot_cis.auth_seq_id 103 +_struct_mon_prot_cis.auth_asym_id A +_struct_mon_prot_cis.pdbx_label_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_label_seq_id_2 104 +_struct_mon_prot_cis.pdbx_label_asym_id_2 A +_struct_mon_prot_cis.pdbx_PDB_ins_code_2 . +_struct_mon_prot_cis.pdbx_auth_comp_id_2 PRO +_struct_mon_prot_cis.pdbx_auth_seq_id_2 104 +_struct_mon_prot_cis.pdbx_auth_asym_id_2 A +_struct_mon_prot_cis.pdbx_PDB_model_num 1 +_struct_mon_prot_cis.pdbx_omega_angle -4.12 +# +loop_ +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +S1 . 12 . +S2 . 2 . +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +S1 1 2 . anti-parallel +S1 2 3 . anti-parallel +S1 3 4 . anti-parallel +S1 4 5 . anti-parallel +S1 5 6 . anti-parallel +S1 6 7 . anti-parallel +S1 7 8 . parallel +S1 8 9 . parallel +S1 9 10 . parallel +S1 10 11 . parallel +S1 11 12 . parallel +S2 1 2 . anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_entity_id +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_entity_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_seq_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.symmetry +S1 1 LEU 6 . A 1 LEU 6 A THR 10 . A 1 THR 10 A ? +S1 2 GLY 13 . A 1 GLY 13 A MET 16 . A 1 MET 16 A ? +S1 3 THR 18 . A 1 THR 18 A PRO 21 . A 1 PRO 21 A ? +S1 4 HIS 26 . A 1 HIS 26 A PRO 34 . A 1 PRO 34 A ? +S1 5 VAL 57 . A 1 VAL 57 A ALA 60 . A 1 ALA 60 A ? +S1 6 TYR 96 . A 1 TYR 96 A PRO 102 . A 1 PRO 102 A ? +S1 7 THR 109 . A 1 THR 109 A TYR 116 . A 1 TYR 116 A ? +S1 8 VAL 142 . A 1 VAL 142 A SER 147 . A 1 SER 147 A ? +S1 9 THR 193 . A 1 THR 193 A GLU 199 . A 1 GLU 199 A ? +S1 10 ARG 220 . A 1 ARG 220 A SER 226 . A 1 SER 226 A ? +S1 11 GLN 318 . A 1 GLN 318 A GLY 328 . A 1 GLY 328 A ? +S1 12 GLY 417 . A 1 GLY 417 A PHE 423 . A 1 PHE 423 A ? +S2 13 PHE 502 . A 1 PHE 502 A LEU 505 . A 1 LEU 505 A ? +S2 14 MET 510 . A 1 MET 510 A GLN 514 . A 1 GLN 514 A ? +# +loop_ +_struct_site.details +_struct_site.id +_struct_site.pdbx_num_residues +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +? THA 4 Unknown ? ? ? ? +'BINDING SITE FOR RESIDUE THA A 999' AC1 7 Software A THA 999 ? +# loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ARG N 1 N N CA SING -ARG N 2 N N H SING -ARG N 3 N N H2 SING -ARG N 4 N CA C SING -ARG N 5 N CA CB SING -ARG N 6 N CA HA SING -ARG N 7 N C O DOUB -ARG N 8 N C OXT SING -ARG N 9 N CB CG SING -ARG N 10 N CB HB2 SING -ARG N 11 N CB HB3 SING -ARG N 12 N CG CD SING -ARG N 13 N CG HG2 SING -ARG N 14 N CG HG3 SING -ARG N 15 N CD NE SING -ARG N 16 N CD HD2 SING -ARG N 17 N CD HD3 SING -ARG N 18 N NE CZ SING -ARG N 19 N NE HE SING -ARG N 20 N CZ NH1 SING -ARG N 21 N CZ NH2 DOUB -ARG N 22 N NH1 HH11 SING -ARG N 23 N NH1 HH12 SING -ARG N 24 N NH2 HH21 SING -ARG N 25 N NH2 HH22 SING -ARG N 26 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -ASP N 1 N N CA SING -ASP N 2 N N H SING -ASP N 3 N N H2 SING -ASP N 4 N CA C SING -ASP N 5 N CA CB SING -ASP N 6 N CA HA SING -ASP N 7 N C O DOUB -ASP N 8 N C OXT SING -ASP N 9 N CB CG SING -ASP N 10 N CB HB2 SING -ASP N 11 N CB HB3 SING -ASP N 12 N CG OD1 DOUB -ASP N 13 N CG OD2 SING -ASP N 14 N OD2 HD2 SING -ASP N 15 N OXT HXT SING -CYS N 1 N N CA SING -CYS N 2 N N H SING -CYS N 3 N N H2 SING -CYS N 4 N CA C SING -CYS N 5 N CA CB SING -CYS N 6 N CA HA SING -CYS N 7 N C O DOUB -CYS N 8 N C OXT SING -CYS N 9 N CB SG SING -CYS N 10 N CB HB2 SING -CYS N 11 N CB HB3 SING -CYS N 12 N SG HG SING -CYS N 13 N OXT HXT SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HIS N 1 N N CA SING -HIS N 2 N N H SING -HIS N 3 N N H2 SING -HIS N 4 N CA C SING -HIS N 5 N CA CB SING -HIS N 6 N CA HA SING -HIS N 7 N C O DOUB -HIS N 8 N C OXT SING -HIS N 9 N CB CG SING -HIS N 10 N CB HB2 SING -HIS N 11 N CB HB3 SING -HIS N 12 Y CG ND1 SING -HIS N 13 Y CG CD2 DOUB -HIS N 14 Y ND1 CE1 DOUB -HIS N 15 N ND1 HD1 SING -HIS N 16 Y CD2 NE2 SING -HIS N 17 N CD2 HD2 SING -HIS N 18 Y CE1 NE2 SING -HIS N 19 N CE1 HE1 SING -HIS N 20 N NE2 HE2 SING -HIS N 21 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -MET N 1 N N CA SING -MET N 2 N N H SING -MET N 3 N N H2 SING -MET N 4 N CA C SING -MET N 5 N CA CB SING -MET N 6 N CA HA SING -MET N 7 N C O DOUB -MET N 8 N C OXT SING -MET N 9 N CB CG SING -MET N 10 N CB HB2 SING -MET N 11 N CB HB3 SING -MET N 12 N CG SD SING -MET N 13 N CG HG2 SING -MET N 14 N CG HG3 SING -MET N 15 N SD CE SING -MET N 16 N CE HE1 SING -MET N 17 N CE HE2 SING -MET N 18 N CE HE3 SING -MET N 19 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -PRO N 1 N N CA SING -PRO N 2 N N CD SING -PRO N 3 N N H SING -PRO N 4 N CA C SING -PRO N 5 N CA CB SING -PRO N 6 N CA HA SING -PRO N 7 N C O DOUB -PRO N 8 N C OXT SING -PRO N 9 N CB CG SING -PRO N 10 N CB HB2 SING -PRO N 11 N CB HB3 SING -PRO N 12 N CG CD SING -PRO N 13 N CG HG2 SING -PRO N 14 N CG HG3 SING -PRO N 15 N CD HD2 SING -PRO N 16 N CD HD3 SING -PRO N 17 N OXT HXT SING -SER N 1 N N CA SING -SER N 2 N N H SING -SER N 3 N N H2 SING -SER N 4 N CA C SING -SER N 5 N CA CB SING -SER N 6 N CA HA SING -SER N 7 N C O DOUB -SER N 8 N C OXT SING -SER N 9 N CB OG SING -SER N 10 N CB HB2 SING -SER N 11 N CB HB3 SING -SER N 12 N OG HG SING -SER N 13 N OXT HXT SING -THA N 1 Y C1 C2 DOUB -THA N 2 Y C1 C6 SING -THA N 3 N C1 H1 SING -THA N 4 Y C2 C3 SING -THA N 5 N C2 H2 SING -THA N 6 Y C3 C4 DOUB -THA N 7 Y C3 N7 SING -THA N 8 Y C4 C5 SING -THA N 9 Y C4 C10 SING -THA N 10 Y C5 C6 DOUB -THA N 11 N C5 H5 SING -THA N 12 N C6 H6 SING -THA N 13 Y N7 C8 DOUB -THA N 14 Y C8 C9 SING -THA N 15 N C8 C11 SING -THA N 16 Y C9 C10 DOUB -THA N 17 N C9 C14 SING -THA N 18 N C10 N15 SING -THA N 19 N C11 C12 SING -THA N 20 N C11 H111 SING -THA N 21 N C11 H112 SING -THA N 22 N C12 C13 SING -THA N 23 N C12 H121 SING -THA N 24 N C12 H122 SING -THA N 25 N C13 C14 SING -THA N 26 N C13 H131 SING -THA N 27 N C13 H132 SING -THA N 28 N C14 H141 SING -THA N 29 N C14 H142 SING -THA N 30 N N15 HN51 SING -THA N 31 N N15 HN52 SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TRP N 1 N N CA SING -TRP N 2 N N H SING -TRP N 3 N N H2 SING -TRP N 4 N CA C SING -TRP N 5 N CA CB SING -TRP N 6 N CA HA SING -TRP N 7 N C O DOUB -TRP N 8 N C OXT SING -TRP N 9 N CB CG SING -TRP N 10 N CB HB2 SING -TRP N 11 N CB HB3 SING -TRP N 12 Y CG CD1 DOUB -TRP N 13 Y CG CD2 SING -TRP N 14 Y CD1 NE1 SING -TRP N 15 N CD1 HD1 SING -TRP N 16 Y CD2 CE2 DOUB -TRP N 17 Y CD2 CE3 SING -TRP N 18 Y NE1 CE2 SING -TRP N 19 N NE1 HE1 SING -TRP N 20 Y CE2 CZ2 SING -TRP N 21 Y CE3 CZ3 DOUB -TRP N 22 N CE3 HE3 SING -TRP N 23 Y CZ2 CH2 DOUB -TRP N 24 N CZ2 HZ2 SING -TRP N 25 Y CZ3 CH2 SING -TRP N 26 N CZ3 HZ3 SING -TRP N 27 N CH2 HH2 SING -TRP N 28 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_struct_site_gen.details +_struct_site_gen.id +_struct_site_gen.label_alt_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_comp_id +_struct_site_gen.label_seq_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_seq_id +_struct_site_gen.site_id +_struct_site_gen.symmetry +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.pdbx_num_res +? 1 ? A . SER 200 A SER 200 THA 1_555 ? 4 +? 2 ? A . HIS 440 A HIS 440 THA 1_555 ? 4 +? 3 ? A . GLU 327 A GLU 327 THA 1_555 ? 4 +? 4 ? B . THA . A THA 999 THA 1_555 ? 4 +? 5 ? A . TRP 84 A TRP 84 AC1 1_555 ? 7 +? 6 ? A . GLY 118 A GLY 118 AC1 1_555 ? 7 +? 7 ? A . GLU 199 A GLU 199 AC1 1_555 ? 7 +? 8 ? A . PHE 330 A PHE 330 AC1 1_555 ? 7 +? 9 ? A . TRP 432 A TRP 432 AC1 1_555 ? 7 +? 10 ? A . HIS 440 A HIS 440 AC1 1_555 ? 7 +? 11 ? A . GLY 441 A GLY 441 AC1 1_555 ? 7 +# +_database_PDB_matrix.entry_id 1ACJ +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 1ACJ _atom_sites.fract_transf_matrix[1][1] 0.008795 _atom_sites.fract_transf_matrix[1][2] 0.005078 _atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.010156 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.007241 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 THA 1 999 999 THA THA A . -C 3 HOH 1 601 601 HOH HOH A . -C 3 HOH 2 602 602 HOH HOH A . -C 3 HOH 3 603 603 HOH HOH A . -C 3 HOH 4 604 604 HOH HOH A . -C 3 HOH 5 605 605 HOH HOH A . -C 3 HOH 6 606 606 HOH HOH A . -C 3 HOH 7 607 607 HOH HOH A . -C 3 HOH 8 608 608 HOH HOH A . -C 3 HOH 9 609 609 HOH HOH A . -C 3 HOH 10 610 610 HOH HOH A . -C 3 HOH 11 611 611 HOH HOH A . -C 3 HOH 12 612 612 HOH HOH A . -C 3 HOH 13 613 613 HOH HOH A . -C 3 HOH 14 614 614 HOH HOH A . -C 3 HOH 15 615 615 HOH HOH A . -C 3 HOH 16 616 616 HOH HOH A . -C 3 HOH 17 617 617 HOH HOH A . -C 3 HOH 18 618 618 HOH HOH A . -C 3 HOH 19 619 619 HOH HOH A . -C 3 HOH 20 620 620 HOH HOH A . -C 3 HOH 21 621 621 HOH HOH A . -C 3 HOH 22 622 622 HOH HOH A . -C 3 HOH 23 623 623 HOH HOH A . -C 3 HOH 24 624 624 HOH HOH A . -C 3 HOH 25 625 625 HOH HOH A . -C 3 HOH 26 626 626 HOH HOH A . -C 3 HOH 27 627 627 HOH HOH A . -C 3 HOH 28 628 628 HOH HOH A . -C 3 HOH 29 629 629 HOH HOH A . -C 3 HOH 30 630 630 HOH HOH A . -C 3 HOH 31 631 631 HOH HOH A . -C 3 HOH 32 632 632 HOH HOH A . -C 3 HOH 33 633 633 HOH HOH A . -C 3 HOH 34 634 634 HOH HOH A . -C 3 HOH 35 635 635 HOH HOH A . -C 3 HOH 36 636 636 HOH HOH A . -C 3 HOH 37 637 637 HOH HOH A . -C 3 HOH 38 638 638 HOH HOH A . -C 3 HOH 39 639 639 HOH HOH A . -C 3 HOH 40 640 640 HOH HOH A . -C 3 HOH 41 641 641 HOH HOH A . -C 3 HOH 42 642 642 HOH HOH A . -C 3 HOH 43 643 643 HOH HOH A . -C 3 HOH 44 644 644 HOH HOH A . -C 3 HOH 45 645 645 HOH HOH A . -C 3 HOH 46 646 646 HOH HOH A . -C 3 HOH 47 647 647 HOH HOH A . -C 3 HOH 48 648 648 HOH HOH A . -C 3 HOH 49 649 649 HOH HOH A . -C 3 HOH 50 650 650 HOH HOH A . -C 3 HOH 51 651 651 HOH HOH A . -C 3 HOH 52 652 652 HOH HOH A . -C 3 HOH 53 653 653 HOH HOH A . -C 3 HOH 54 654 654 HOH HOH A . -C 3 HOH 55 655 655 HOH HOH A . -C 3 HOH 56 656 656 HOH HOH A . -C 3 HOH 57 657 657 HOH HOH A . -C 3 HOH 58 658 658 HOH HOH A . -C 3 HOH 59 659 659 HOH HOH A . -C 3 HOH 60 660 660 HOH HOH A . -C 3 HOH 61 661 661 HOH HOH A . -C 3 HOH 62 662 662 HOH HOH A . -C 3 HOH 63 663 663 HOH HOH A . -C 3 HOH 64 664 664 HOH HOH A . -C 3 HOH 65 665 665 HOH HOH A . -C 3 HOH 66 666 666 HOH HOH A . -C 3 HOH 67 667 667 HOH HOH A . -C 3 HOH 68 668 668 HOH HOH A . -C 3 HOH 69 669 669 HOH HOH A . -C 3 HOH 70 670 670 HOH HOH A . -C 3 HOH 71 671 671 HOH HOH A . -C 3 HOH 72 672 672 HOH HOH A . -C 3 HOH 73 673 673 HOH HOH A . -C 3 HOH 74 674 674 HOH HOH A . -C 3 HOH 75 675 675 HOH HOH A . -C 3 HOH 76 676 676 HOH HOH A . -C 3 HOH 77 677 677 HOH HOH A . -C 3 HOH 78 678 678 HOH HOH A . -C 3 HOH 79 679 679 HOH HOH A . -C 3 HOH 80 680 680 HOH HOH A . -C 3 HOH 81 681 681 HOH HOH A . -C 3 HOH 82 682 682 HOH HOH A . +_atom_sites_footnote.id +_atom_sites_footnote.text +1 'CIS PROLINE - PRO 104' +2 'RESIDUE THA 999 IS BOUND NON-COVALENTLY IN THE ACTIVE SITE.' +# +loop_ +_atom_type.symbol +C +N +O +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -1314,4205 +1170,5244 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . SER A 1 4 . -12.503 89.084 35.130 1.00 66.28 ? N SER A 4 1 -ATOM 2 C CA . SER A 1 4 . -12.189 87.877 35.866 1.00 63.52 ? CA SER A 4 1 -ATOM 3 C C . SER A 1 4 . -11.066 88.196 36.842 1.00 59.52 ? C SER A 4 1 -ATOM 4 O O . SER A 1 4 . -11.260 89.101 37.633 1.00 57.7 ? O SER A 4 1 -ATOM 5 C CB . SER A 1 4 . -12.025 86.720 34.856 1.00 67.07 ? CB SER A 4 1 -ATOM 6 O OG . SER A 1 4 . -13.195 86.792 34.018 1.00 70.02 ? OG SER A 4 1 -ATOM 7 N N . GLU A 1 5 . -9.920 87.515 36.768 1.00 54.99 ? N GLU A 5 1 -ATOM 8 C CA . GLU A 1 5 . -8.763 87.673 37.662 1.00 47.42 ? CA GLU A 5 1 -ATOM 9 C C . GLU A 1 5 . -9.082 86.841 38.872 1.00 43.05 ? C GLU A 5 1 -ATOM 10 O O . GLU A 1 5 . -8.332 85.956 39.236 1.00 44.4 ? O GLU A 5 1 -ATOM 11 C CB . GLU A 1 5 . -8.315 89.106 38.012 1.00 47.14 ? CB GLU A 5 1 -ATOM 12 C CG . GLU A 1 5 . -7.047 89.190 38.917 1.00 51.13 ? CG GLU A 5 1 -ATOM 13 C CD . GLU A 1 5 . -5.714 88.670 38.353 1.00 52.76 ? CD GLU A 5 1 -ATOM 14 O OE1 . GLU A 1 5 . -5.502 88.765 37.150 1.00 54.93 ? OE1 GLU A 5 1 -ATOM 15 O OE2 . GLU A 1 5 . -4.880 88.179 39.122 1.00 56.48 ? OE2 GLU A 5 1 -ATOM 16 N N . LEU A 1 6 . -10.253 87.138 39.444 1.00 36.79 ? N LEU A 6 1 -ATOM 17 C CA . LEU A 1 6 . -10.748 86.426 40.612 1.00 32.75 ? CA LEU A 6 1 -ATOM 18 C C . LEU A 1 6 . -11.840 85.431 40.295 1.00 33.35 ? C LEU A 6 1 -ATOM 19 O O . LEU A 1 6 . -12.296 84.700 41.162 1.00 35.53 ? O LEU A 6 1 -ATOM 20 C CB . LEU A 1 6 . -11.321 87.429 41.633 1.00 28.61 ? CB LEU A 6 1 -ATOM 21 C CG . LEU A 1 6 . -10.276 87.885 42.667 1.00 29.95 ? CG LEU A 6 1 -ATOM 22 C CD1 . LEU A 1 6 . -9.060 88.579 42.040 1.00 28.52 ? CD1 LEU A 6 1 -ATOM 23 C CD2 . LEU A 1 6 . -10.937 88.762 43.732 1.00 28.46 ? CD2 LEU A 6 1 -ATOM 24 N N . LEU A 1 7 . -12.302 85.444 39.053 1.00 33.35 ? N LEU A 7 1 -ATOM 25 C CA . LEU A 1 7 . -13.363 84.515 38.679 1.00 33.07 ? CA LEU A 7 1 -ATOM 26 C C . LEU A 1 7 . -12.689 83.488 37.822 1.00 32.11 ? C LEU A 7 1 -ATOM 27 O O . LEU A 1 7 . -12.018 83.906 36.874 1.00 36.48 ? O LEU A 7 1 -ATOM 28 C CB . LEU A 1 7 . -14.409 85.233 37.811 1.00 33.65 ? CB LEU A 7 1 -ATOM 29 C CG . LEU A 1 7 . -15.741 84.489 37.662 1.00 33.73 ? CG LEU A 7 1 -ATOM 30 C CD1 . LEU A 1 7 . -15.669 83.103 37.017 1.00 34.68 ? CD1 LEU A 7 1 -ATOM 31 C CD2 . LEU A 1 7 . -16.471 84.394 38.993 1.00 34.9 ? CD2 LEU A 7 1 -ATOM 32 N N . VAL A 1 8 . -12.856 82.204 38.136 1.00 24.81 ? N VAL A 8 1 -ATOM 33 C CA . VAL A 1 8 . -12.232 81.181 37.334 1.00 21.36 ? CA VAL A 8 1 -ATOM 34 C C . VAL A 1 8 . -13.261 80.103 37.069 1.00 25.4 ? C VAL A 8 1 -ATOM 35 O O . VAL A 1 8 . -14.082 79.793 37.921 1.00 27.94 ? O VAL A 8 1 -ATOM 36 C CB . VAL A 1 8 . -11.015 80.653 38.107 1.00 15.33 ? CB VAL A 8 1 -ATOM 37 C CG1 . VAL A 1 8 . -10.339 79.451 37.430 1.00 17.12 ? CG1 VAL A 8 1 -ATOM 38 C CG2 . VAL A 1 8 . -9.983 81.780 38.306 1.00 14.32 ? CG2 VAL A 8 1 -ATOM 39 N N . ASN A 1 9 . -13.228 79.552 35.849 1.00 29.47 ? N ASN A 9 1 -ATOM 40 C CA . ASN A 1 9 . -14.133 78.459 35.493 1.00 33.22 ? CA ASN A 9 1 -ATOM 41 C C . ASN A 1 9 . -13.227 77.276 35.611 1.00 34.13 ? C ASN A 9 1 -ATOM 42 O O . ASN A 1 9 . -12.125 77.308 35.074 1.00 35.41 ? O ASN A 9 1 -ATOM 43 C CB . ASN A 1 9 . -14.555 78.386 34.013 1.00 38.11 ? CB ASN A 9 1 -ATOM 44 C CG . ASN A 1 9 . -15.552 79.424 33.597 1.00 42.62 ? CG ASN A 9 1 -ATOM 45 O OD1 . ASN A 1 9 . -16.720 79.332 33.924 1.00 48.35 ? OD1 ASN A 9 1 -ATOM 46 N ND2 . ASN A 1 9 . -15.081 80.421 32.850 1.00 41.34 ? ND2 ASN A 9 1 -ATOM 47 N N . THR A 1 10 . -13.656 76.260 36.320 1.00 33.2 ? N THR A 10 1 -ATOM 48 C CA . THR A 1 10 . -12.829 75.086 36.438 1.00 30.23 ? CA THR A 10 1 -ATOM 49 C C . THR A 1 10 . -13.712 74.031 35.844 1.00 31.69 ? C THR A 10 1 -ATOM 50 O O . THR A 1 10 . -14.915 74.252 35.715 1.00 35.98 ? O THR A 10 1 -ATOM 51 C CB . THR A 1 10 . -12.478 74.820 37.913 1.00 27.41 ? CB THR A 10 1 -ATOM 52 O OG1 . THR A 1 10 . -13.619 74.419 38.674 1.00 24.65 ? OG1 THR A 10 1 -ATOM 53 C CG2 . THR A 1 10 . -11.894 76.058 38.615 1.00 27.48 ? CG2 THR A 10 1 -ATOM 54 N N . LYS A 1 11 . -13.156 72.866 35.542 1.00 27.84 ? N LYS A 11 1 -ATOM 55 C CA . LYS A 1 11 . -14.023 71.850 34.980 1.00 24.67 ? CA LYS A 11 1 -ATOM 56 C C . LYS A 1 11 . -15.154 71.440 35.929 1.00 24.68 ? C LYS A 11 1 -ATOM 57 O O . LYS A 1 11 . -16.072 70.775 35.486 1.00 27.54 ? O LYS A 11 1 -ATOM 58 C CB . LYS A 1 11 . -13.208 70.653 34.493 1.00 17.2 ? CB LYS A 11 1 -ATOM 59 C CG . LYS A 1 11 . -12.087 71.099 33.547 1.00 14.65 ? CG LYS A 11 1 -ATOM 60 C CD . LYS A 1 11 . -11.250 69.939 33.014 1.00 16.35 ? CD LYS A 11 1 -ATOM 61 C CE . LYS A 1 11 . -9.911 70.312 32.358 1.00 19.73 ? CE LYS A 11 1 -ATOM 62 N NZ . LYS A 1 11 . -9.107 69.103 32.179 1.00 22.74 ? NZ LYS A 11 1 -ATOM 63 N N . SER A 1 12 . -15.078 71.792 37.231 1.00 27.83 ? N SER A 12 1 -ATOM 64 C CA . SER A 1 12 . -16.163 71.425 38.154 1.00 28.06 ? CA SER A 12 1 -ATOM 65 C C . SER A 1 12 . -17.186 72.558 38.349 1.00 29.85 ? C SER A 12 1 -ATOM 66 O O . SER A 1 12 . -18.303 72.296 38.787 1.00 26.76 ? O SER A 12 1 -ATOM 67 C CB . SER A 1 12 . -15.645 71.067 39.569 1.00 28.31 ? CB SER A 12 1 -ATOM 68 O OG . SER A 1 12 . -14.456 70.262 39.614 1.00 28.89 ? OG SER A 12 1 -ATOM 69 N N . GLY A 1 13 . -16.789 73.809 38.067 1.00 27.92 ? N GLY A 13 1 -ATOM 70 C CA . GLY A 1 13 . -17.743 74.889 38.268 1.00 30.42 ? CA GLY A 13 1 -ATOM 71 C C . GLY A 1 13 . -16.970 76.173 38.361 1.00 32.86 ? C GLY A 13 1 -ATOM 72 O O . GLY A 1 13 . -15.750 76.147 38.199 1.00 31.43 ? O GLY A 13 1 -ATOM 73 N N . LYS A 1 14 . -17.661 77.300 38.603 1.00 34.06 ? N LYS A 14 1 -ATOM 74 C CA . LYS A 1 14 . -16.946 78.577 38.695 1.00 35.67 ? CA LYS A 14 1 -ATOM 75 C C . LYS A 1 14 . -16.546 78.847 40.127 1.00 34.96 ? C LYS A 14 1 -ATOM 76 O O . LYS A 1 14 . -17.215 78.370 41.034 1.00 34.65 ? O LYS A 14 1 -ATOM 77 C CB . LYS A 1 14 . -17.839 79.721 38.192 1.00 38.99 ? CB LYS A 14 1 -ATOM 78 C CG . LYS A 1 14 . -17.873 79.759 36.661 1.00 47.77 ? CG LYS A 14 1 -ATOM 79 C CD . LYS A 1 14 . -18.766 80.858 36.070 1.00 55.48 ? CD LYS A 14 1 -ATOM 80 C CE . LYS A 1 14 . -20.267 80.650 36.336 1.00 64.81 ? CE LYS A 14 1 -ATOM 81 N NZ . LYS A 1 14 . -20.749 79.427 35.705 1.00 71 ? NZ LYS A 14 1 -ATOM 82 N N . VAL A 1 15 . -15.479 79.629 40.328 1.00 34.04 ? N VAL A 15 1 -ATOM 83 C CA . VAL A 1 15 . -15.026 79.952 41.667 1.00 32.93 ? CA VAL A 15 1 -ATOM 84 C C . VAL A 1 15 . -14.591 81.417 41.683 1.00 34.62 ? C VAL A 15 1 -ATOM 85 O O . VAL A 1 15 . -13.953 81.902 40.751 1.00 29.89 ? O VAL A 15 1 -ATOM 86 C CB . VAL A 1 15 . -13.875 79.002 42.098 1.00 29.03 ? CB VAL A 15 1 -ATOM 87 C CG1 . VAL A 1 15 . -14.269 77.516 42.075 1.00 29.98 ? CG1 VAL A 15 1 -ATOM 88 C CG2 . VAL A 1 15 . -12.622 79.141 41.229 1.00 31.49 ? CG2 VAL A 15 1 -ATOM 89 N N . MET A 1 16 . -14.981 82.082 42.777 1.00 37.7 ? N MET A 16 1 -ATOM 90 C CA . MET A 1 16 . -14.696 83.486 43.083 1.00 39.31 ? CA MET A 16 1 -ATOM 91 C C . MET A 1 16 . -13.672 83.472 44.208 1.00 37.45 ? C MET A 16 1 -ATOM 92 O O . MET A 1 16 . -13.922 82.839 45.227 1.00 37.64 ? O MET A 16 1 -ATOM 93 C CB . MET A 1 16 . -15.964 84.164 43.671 1.00 43.76 ? CB MET A 16 1 -ATOM 94 C CG . MET A 1 16 . -16.786 84.967 42.656 1.00 51.8 ? CG MET A 16 1 -ATOM 95 S SD . MET A 1 16 . -15.852 86.472 42.182 1.00 59.52 ? SD MET A 16 1 -ATOM 96 C CE . MET A 1 16 . -16.117 87.473 43.685 1.00 62.28 ? CE MET A 16 1 -ATOM 97 N N . GLY A 1 17 . -12.555 84.166 44.044 1.00 35.12 ? N GLY A 17 1 -ATOM 98 C CA . GLY A 1 17 . -11.542 84.181 45.098 1.00 31.94 ? CA GLY A 17 1 -ATOM 99 C C . GLY A 1 17 . -11.538 85.515 45.789 1.00 29.25 ? C GLY A 17 1 -ATOM 100 O O . GLY A 1 17 . -12.538 86.225 45.821 1.00 29.77 ? O GLY A 17 1 -ATOM 101 N N . THR A 1 18 . -10.387 85.877 46.335 1.00 29.14 ? N THR A 18 1 -ATOM 102 C CA . THR A 1 18 . -10.240 87.143 47.021 1.00 32.39 ? CA THR A 18 1 -ATOM 103 C C . THR A 1 18 . -8.877 87.671 46.695 1.00 29.82 ? C THR A 18 1 -ATOM 104 O O . THR A 1 18 . -7.952 86.944 46.354 1.00 29.28 ? O THR A 18 1 -ATOM 105 C CB . THR A 1 18 . -10.270 86.929 48.552 1.00 38.14 ? CB THR A 18 1 -ATOM 106 O OG1 . THR A 1 18 . -11.384 86.119 48.917 1.00 42.11 ? OG1 THR A 18 1 -ATOM 107 C CG2 . THR A 1 18 . -10.355 88.216 49.399 1.00 41.82 ? CG2 THR A 18 1 -ATOM 108 N N . ARG A 1 19 . -8.772 88.981 46.807 1.00 28.01 ? N ARG A 19 1 -ATOM 109 C CA . ARG A 1 19 . -7.503 89.605 46.570 1.00 29.07 ? CA ARG A 19 1 -ATOM 110 C C . ARG A 1 19 . -6.948 89.704 47.989 1.00 30.93 ? C ARG A 19 1 -ATOM 111 O O . ARG A 1 19 . -7.634 90.258 48.842 1.00 35.56 ? O ARG A 19 1 -ATOM 112 C CB . ARG A 1 19 . -7.758 90.976 45.920 1.00 28.93 ? CB ARG A 19 1 -ATOM 113 C CG . ARG A 1 19 . -6.503 91.613 45.339 1.00 32.23 ? CG ARG A 19 1 -ATOM 114 C CD . ARG A 1 19 . -6.762 93.028 44.816 1.00 35.26 ? CD ARG A 19 1 -ATOM 115 N N . VAL A 1 20 . -5.760 89.164 48.263 1.00 30.18 ? N VAL A 20 1 -ATOM 116 C CA . VAL A 1 20 . -5.210 89.235 49.617 1.00 26.81 ? CA VAL A 20 1 -ATOM 117 C C . VAL A 1 20 . -3.984 90.126 49.576 1.00 28.42 ? C VAL A 20 1 -ATOM 118 O O . VAL A 1 20 . -3.243 90.053 48.604 1.00 28.65 ? O VAL A 20 1 -ATOM 119 C CB . VAL A 1 20 . -4.849 87.825 50.132 1.00 25.26 ? CB VAL A 20 1 -ATOM 120 C CG1 . VAL A 1 20 . -6.086 86.908 50.086 1.00 20.35 ? CG1 VAL A 20 1 -ATOM 121 C CG2 . VAL A 1 20 . -3.672 87.168 49.377 1.00 25.28 ? CG2 VAL A 20 1 -ATOM 122 N N . PRO A 1 21 . -3.764 90.961 50.603 1.00 29.36 ? N PRO A 21 1 -ATOM 123 C CA . PRO A 1 21 . -2.543 91.749 50.665 1.00 28.64 ? CA PRO A 21 1 -ATOM 124 C C . PRO A 1 21 . -1.347 90.886 50.931 1.00 28.38 ? C PRO A 21 1 -ATOM 125 O O . PRO A 1 21 . -1.405 89.986 51.758 1.00 29.32 ? O PRO A 21 1 -ATOM 126 C CB . PRO A 1 21 . -2.741 92.681 51.869 1.00 30.26 ? CB PRO A 21 1 -ATOM 127 C CG . PRO A 1 21 . -4.219 92.582 52.263 1.00 31.39 ? CG PRO A 21 1 -ATOM 128 C CD . PRO A 1 21 . -4.740 91.285 51.635 1.00 31.49 ? CD PRO A 21 1 -ATOM 129 N N . VAL A 1 22 . -0.249 91.183 50.261 1.00 29.82 ? N VAL A 22 1 -ATOM 130 C CA . VAL A 1 22 . 0.960 90.419 50.471 1.00 31.13 ? CA VAL A 22 1 -ATOM 131 C C . VAL A 1 22 . 2.012 91.460 50.498 1.00 34 ? C VAL A 22 1 -ATOM 132 O O . VAL A 1 22 . 2.306 92.090 49.498 1.00 36.68 ? O VAL A 22 1 -ATOM 133 C CB . VAL A 1 22 . 1.232 89.459 49.316 1.00 28.17 ? CB VAL A 22 1 -ATOM 134 C CG1 . VAL A 1 22 . 2.433 88.577 49.605 1.00 27.98 ? CG1 VAL A 22 1 -ATOM 135 C CG2 . VAL A 1 22 . 0.011 88.599 49.042 1.00 33 ? CG2 VAL A 22 1 -ATOM 136 N N . LEU A 1 23 . 2.605 91.635 51.659 1.00 35.38 ? N LEU A 23 1 -ATOM 137 C CA . LEU A 1 23 . 3.623 92.660 51.758 1.00 37.84 ? CA LEU A 23 1 -ATOM 138 C C . LEU A 1 23 . 3.003 93.998 51.372 1.00 43.58 ? C LEU A 23 1 -ATOM 139 O O . LEU A 1 23 . 2.056 94.464 51.991 1.00 47.15 ? O LEU A 23 1 -ATOM 140 C CB . LEU A 1 23 . 4.926 92.342 51.009 1.00 34.91 ? CB LEU A 23 1 -ATOM 141 C CG . LEU A 1 23 . 5.762 91.224 51.648 1.00 37.14 ? CG LEU A 23 1 -ATOM 142 C CD1 . LEU A 1 23 . 5.306 89.823 51.252 1.00 37.74 ? CD1 LEU A 23 1 -ATOM 143 C CD2 . LEU A 1 23 . 7.228 91.372 51.229 1.00 43.47 ? CD2 LEU A 23 1 -ATOM 144 N N . SER A 1 24 . 3.546 94.547 50.304 1.00 45.59 ? N SER A 24 1 -ATOM 145 C CA . SER A 1 24 . 3.151 95.833 49.783 1.00 47.78 ? CA SER A 24 1 -ATOM 146 C C . SER A 1 24 . 2.170 95.764 48.633 1.00 46.42 ? C SER A 24 1 -ATOM 147 O O . SER A 1 24 . 1.802 96.789 48.070 1.00 49.47 ? O SER A 24 1 -ATOM 148 C CB . SER A 1 24 . 4.454 96.470 49.252 1.00 53.04 ? CB SER A 24 1 -ATOM 149 O OG . SER A 1 24 . 5.276 95.514 48.535 1.00 56.67 ? OG SER A 24 1 -ATOM 150 N N . SER A 1 25 . 1.764 94.551 48.285 1.00 43.6 ? N SER A 25 1 -ATOM 151 C CA . SER A 1 25 . 0.900 94.351 47.149 1.00 41.55 ? CA SER A 25 1 -ATOM 152 C C . SER A 1 25 . -0.283 93.474 47.480 1.00 39.27 ? C SER A 25 1 -ATOM 153 O O . SER A 1 25 . -0.777 93.456 48.602 1.00 42.44 ? O SER A 25 1 -ATOM 154 C CB . SER A 1 25 . 1.780 93.725 46.060 1.00 43.12 ? CB SER A 25 1 -ATOM 155 O OG . SER A 1 25 . 3.058 94.368 46.008 1.00 49.23 ? OG SER A 25 1 -ATOM 156 N N . HIS A 1 26 . -0.731 92.728 46.465 1.00 35.32 ? N HIS A 26 1 -ATOM 157 C CA . HIS A 1 26 . -1.858 91.841 46.579 1.00 32.06 ? CA HIS A 26 1 -ATOM 158 C C . HIS A 1 26 . -1.588 90.547 45.794 1.00 29.59 ? C HIS A 26 1 -ATOM 159 O O . HIS A 1 26 . -0.578 90.415 45.113 1.00 31.42 ? O HIS A 26 1 -ATOM 160 C CB . HIS A 1 26 . -3.032 92.623 45.990 1.00 31.02 ? CB HIS A 26 1 -ATOM 161 N N . ILE A 1 27 . -2.509 89.600 45.908 1.00 21.5 ? N ILE A 27 1 -ATOM 162 C CA . ILE A 1 27 . -2.427 88.321 45.230 1.00 20.27 ? CA ILE A 27 1 -ATOM 163 C C . ILE A 1 27 . -3.851 87.860 45.203 1.00 21.51 ? C ILE A 27 1 -ATOM 164 O O . ILE A 1 27 . -4.717 88.495 45.793 1.00 19.8 ? O ILE A 27 1 -ATOM 165 C CB . ILE A 1 27 . -1.505 87.378 46.027 1.00 19.81 ? CB ILE A 27 1 -ATOM 166 C CG1 . ILE A 1 27 . -0.111 87.355 45.413 1.00 25.98 ? CG1 ILE A 27 1 -ATOM 167 C CG2 . ILE A 1 27 . -2.007 85.970 46.354 1.00 21.89 ? CG2 ILE A 27 1 -ATOM 168 C CD1 . ILE A 1 27 . 0.663 86.040 45.648 1.00 33.64 ? CD1 ILE A 27 1 -ATOM 169 N N . SER A 1 28 . -4.094 86.767 44.510 1.00 21.19 ? N SER A 28 1 -ATOM 170 C CA . SER A 1 28 . -5.439 86.251 44.469 1.00 25.17 ? CA SER A 28 1 -ATOM 171 C C . SER A 1 28 . -5.369 85.028 45.334 1.00 25.66 ? C SER A 28 1 -ATOM 172 O O . SER A 1 28 . -4.345 84.353 45.388 1.00 30.04 ? O SER A 28 1 -ATOM 173 C CB . SER A 1 28 . -5.835 85.861 43.030 1.00 29.04 ? CB SER A 28 1 -ATOM 174 O OG . SER A 1 28 . -5.758 86.989 42.156 1.00 36.88 ? OG SER A 28 1 -ATOM 175 N N . ALA A 1 29 . -6.460 84.718 46.010 1.00 23.77 ? N ALA A 29 1 -ATOM 176 C CA . ALA A 1 29 . -6.460 83.548 46.848 1.00 21.82 ? CA ALA A 29 1 -ATOM 177 C C . ALA A 1 29 . -7.798 82.928 46.654 1.00 22.7 ? C ALA A 29 1 -ATOM 178 O O . ALA A 1 29 . -8.797 83.637 46.615 1.00 21.72 ? O ALA A 29 1 -ATOM 179 C CB . ALA A 1 29 . -6.325 83.972 48.315 1.00 24.17 ? CB ALA A 29 1 -ATOM 180 N N . PHE A 1 30 . -7.788 81.613 46.502 1.00 22.31 ? N PHE A 30 1 -ATOM 181 C CA . PHE A 1 30 . -9.018 80.867 46.330 1.00 23.55 ? CA PHE A 30 1 -ATOM 182 C C . PHE A 1 30 . -8.917 79.880 47.469 1.00 24.51 ? C PHE A 30 1 -ATOM 183 O O . PHE A 1 30 . -8.094 78.969 47.399 1.00 27.63 ? O PHE A 30 1 -ATOM 184 C CB . PHE A 1 30 . -9.061 80.119 44.960 1.00 25.71 ? CB PHE A 30 1 -ATOM 185 C CG . PHE A 1 30 . -9.027 81.019 43.728 1.00 21.98 ? CG PHE A 30 1 -ATOM 186 C CD1 . PHE A 1 30 . -7.797 81.505 43.221 1.00 18.64 ? CD1 PHE A 30 1 -ATOM 187 C CD2 . PHE A 1 30 . -10.233 81.399 43.094 1.00 19.09 ? CD2 PHE A 30 1 -ATOM 188 C CE1 . PHE A 1 30 . -7.779 82.375 42.119 1.00 16.13 ? CE1 PHE A 30 1 -ATOM 189 C CE2 . PHE A 1 30 . -10.221 82.265 41.995 1.00 12.59 ? CE2 PHE A 30 1 -ATOM 190 C CZ . PHE A 1 30 . -8.995 82.757 41.517 1.00 19.18 ? CZ PHE A 30 1 -ATOM 191 N N . LEU A 1 31 . -9.699 80.075 48.528 1.00 22.04 ? N LEU A 31 1 -ATOM 192 C CA . LEU A 1 31 . -9.615 79.160 49.663 1.00 18.95 ? CA LEU A 31 1 -ATOM 193 C C . LEU A 1 31 . -10.854 78.281 49.734 1.00 20.31 ? C LEU A 31 1 -ATOM 194 O O . LEU A 1 31 . -11.951 78.708 49.409 1.00 22.57 ? O LEU A 31 1 -ATOM 195 C CB . LEU A 1 31 . -9.615 79.944 50.992 1.00 15.9 ? CB LEU A 31 1 -ATOM 196 C CG . LEU A 1 31 . -8.438 80.872 51.338 1.00 10.17 ? CG LEU A 31 1 -ATOM 197 C CD1 . LEU A 1 31 . -7.296 80.912 50.334 1.00 9.79 ? CD1 LEU A 31 1 -ATOM 198 C CD2 . LEU A 1 31 . -8.958 82.277 51.614 1.00 7.92 ? CD2 LEU A 31 1 -ATOM 199 N N . GLY A 1 32 . -10.675 77.043 50.189 1.00 19.63 ? N GLY A 32 1 -ATOM 200 C CA . GLY A 1 32 . -11.825 76.159 50.338 1.00 17.79 ? CA GLY A 32 1 -ATOM 201 C C . GLY A 1 32 . -12.485 75.571 49.094 1.00 17.48 ? C GLY A 32 1 -ATOM 202 O O . GLY A 1 32 . -13.682 75.307 49.118 1.00 19.31 ? O GLY A 32 1 -ATOM 203 N N . ILE A 1 33 . -11.741 75.327 47.998 1.00 16.16 ? N ILE A 33 1 -ATOM 204 C CA . ILE A 1 33 . -12.403 74.743 46.822 1.00 12.47 ? CA ILE A 33 1 -ATOM 205 C C . ILE A 1 33 . -12.593 73.236 47.093 1.00 11.92 ? C ILE A 33 1 -ATOM 206 O O . ILE A 1 33 . -11.624 72.549 47.397 1.00 15.94 ? O ILE A 33 1 -ATOM 207 C CB . ILE A 1 33 . -11.539 74.952 45.567 1.00 9.82 ? CB ILE A 33 1 -ATOM 208 C CG1 . ILE A 1 33 . -11.207 76.435 45.302 1.00 9.7 ? CG1 ILE A 33 1 -ATOM 209 C CG2 . ILE A 1 33 . -12.199 74.334 44.332 1.00 11.4 ? CG2 ILE A 33 1 -ATOM 210 C CD1 . ILE A 1 33 . -10.035 76.570 44.319 1.00 10.55 ? CD1 ILE A 33 1 -ATOM 211 N N . PRO A 1 34 . -13.822 72.711 47.015 1.00 9.19 ? N PRO A 34 1 -ATOM 212 C CA . PRO A 1 34 . -14.031 71.303 47.350 1.00 12.31 ? CA PRO A 34 1 -ATOM 213 C C . PRO A 1 34 . -13.398 70.436 46.293 1.00 13.3 ? C PRO A 34 1 -ATOM 214 O O . PRO A 1 34 . -13.393 70.816 45.138 1.00 18.57 ? O PRO A 34 1 -ATOM 215 C CB . PRO A 1 34 . -15.562 71.124 47.334 1.00 8.07 ? CB PRO A 34 1 -ATOM 216 C CG . PRO A 1 34 . -16.099 72.321 46.537 1.00 5.81 ? CG PRO A 34 1 -ATOM 217 C CD . PRO A 1 34 . -15.028 73.419 46.629 1.00 7.7 ? CD PRO A 34 1 -ATOM 218 N N . PHE A 1 35 . -12.895 69.263 46.671 1.00 14.36 ? N PHE A 35 1 -ATOM 219 C CA . PHE A 1 35 . -12.300 68.406 45.655 1.00 9.91 ? CA PHE A 35 1 -ATOM 220 C C . PHE A 1 35 . -12.831 66.998 45.693 1.00 12.79 ? C PHE A 35 1 -ATOM 221 O O . PHE A 1 35 . -12.381 66.173 44.914 1.00 15.8 ? O PHE A 35 1 -ATOM 222 C CB . PHE A 1 35 . -10.776 68.408 45.715 1.00 11.07 ? CB PHE A 35 1 -ATOM 223 C CG . PHE A 1 35 . -10.152 67.808 46.961 1.00 17.39 ? CG PHE A 35 1 -ATOM 224 C CD1 . PHE A 1 35 . -10.133 66.414 47.151 1.00 16.8 ? CD1 PHE A 35 1 -ATOM 225 C CD2 . PHE A 1 35 . -9.518 68.631 47.914 1.00 19.76 ? CD2 PHE A 35 1 -ATOM 226 C CE1 . PHE A 1 35 . -9.469 65.840 48.245 1.00 18.35 ? CE1 PHE A 35 1 -ATOM 227 C CE2 . PHE A 1 35 . -8.852 68.058 49.009 1.00 19.78 ? CE2 PHE A 35 1 -ATOM 228 C CZ . PHE A 1 35 . -8.822 66.664 49.171 1.00 20.22 ? CZ PHE A 35 1 -ATOM 229 N N . ALA A 1 36 . -13.774 66.688 46.592 1.00 10.85 ? N ALA A 36 1 -ATOM 230 C CA . ALA A 1 36 . -14.325 65.340 46.667 1.00 8.56 ? CA ALA A 36 1 -ATOM 231 C C . ALA A 1 36 . -15.632 65.480 47.393 1.00 12.49 ? C ALA A 36 1 -ATOM 232 O O . ALA A 1 36 . -15.897 66.525 47.967 1.00 18.58 ? O ALA A 36 1 -ATOM 233 C CB . ALA A 1 36 . -13.386 64.415 47.425 1.00 6.98 ? CB ALA A 36 1 -ATOM 234 N N . GLU A 1 37 . -16.480 64.461 47.356 1.00 17.66 ? N GLU A 37 1 -ATOM 235 C CA . GLU A 1 37 . -17.760 64.582 48.069 1.00 21.71 ? CA GLU A 37 1 -ATOM 236 C C . GLU A 1 37 . -17.514 64.410 49.571 1.00 22.94 ? C GLU A 37 1 -ATOM 237 O O . GLU A 1 37 . -16.832 63.452 49.918 1.00 26.27 ? O GLU A 37 1 -ATOM 238 C CB . GLU A 1 37 . -18.750 63.467 47.648 1.00 23.74 ? CB GLU A 37 1 -ATOM 239 C CG . GLU A 1 37 . -19.328 63.616 46.228 1.00 27.33 ? CG GLU A 37 1 -ATOM 240 C CD . GLU A 1 37 . -20.406 64.704 46.157 1.00 31.25 ? CD GLU A 37 1 -ATOM 241 O OE1 . GLU A 1 37 . -21.535 64.424 46.561 1.00 34.04 ? OE1 GLU A 37 1 -ATOM 242 O OE2 . GLU A 1 37 . -20.126 65.817 45.704 1.00 30.36 ? OE2 GLU A 37 1 -ATOM 243 N N . PRO A 1 38 . -18.101 65.289 50.436 1.00 23.11 ? N PRO A 38 1 -ATOM 244 C CA . PRO A 1 38 . -17.897 65.221 51.887 1.00 17.99 ? CA PRO A 38 1 -ATOM 245 C C . PRO A 1 38 . -18.053 63.833 52.455 1.00 17.78 ? C PRO A 38 1 -ATOM 246 O O . PRO A 1 38 . -19.148 63.295 52.367 1.00 23.08 ? O PRO A 38 1 -ATOM 247 C CB . PRO A 1 38 . -18.999 66.109 52.467 1.00 15.25 ? CB PRO A 38 1 -ATOM 248 C CG . PRO A 1 38 . -19.381 67.077 51.348 1.00 21.82 ? CG PRO A 38 1 -ATOM 249 C CD . PRO A 1 38 . -19.040 66.343 50.042 1.00 25.22 ? CD PRO A 38 1 -ATOM 250 N N . PRO A 1 39 . -16.988 63.271 53.040 1.00 14.62 ? N PRO A 39 1 -ATOM 251 C CA . PRO A 1 39 . -17.013 61.878 53.449 1.00 14.68 ? CA PRO A 39 1 -ATOM 252 C C . PRO A 1 39 . -17.702 61.743 54.784 1.00 18.19 ? C PRO A 39 1 -ATOM 253 O O . PRO A 1 39 . -17.113 61.328 55.779 1.00 26.5 ? O PRO A 39 1 -ATOM 254 C CB . PRO A 1 39 . -15.525 61.549 53.563 1.00 12.52 ? CB PRO A 39 1 -ATOM 255 C CG . PRO A 1 39 . -14.860 62.880 53.931 1.00 13.31 ? CG PRO A 39 1 -ATOM 256 C CD . PRO A 1 39 . -15.722 63.950 53.278 1.00 10.24 ? CD PRO A 39 1 -ATOM 257 N N . VAL A 1 40 . -18.959 62.123 54.810 1.00 17.25 ? N VAL A 40 1 -ATOM 258 C CA . VAL A 1 40 . -19.699 62.057 56.038 1.00 17.22 ? CA VAL A 40 1 -ATOM 259 C C . VAL A 1 40 . -20.662 60.892 55.947 1.00 20.33 ? C VAL A 40 1 -ATOM 260 O O . VAL A 1 40 . -20.742 60.152 54.976 1.00 25.8 ? O VAL A 40 1 -ATOM 261 C CB . VAL A 1 40 . -20.370 63.440 56.216 1.00 15.36 ? CB VAL A 40 1 -ATOM 262 C CG1 . VAL A 1 40 . -19.347 64.601 56.138 1.00 6.48 ? CG1 VAL A 40 1 -ATOM 263 C CG2 . VAL A 1 40 . -21.509 63.677 55.208 1.00 18.85 ? CG2 VAL A 40 1 -ATOM 264 N N . GLY A 1 41 . -21.420 60.721 57.009 1.00 24.29 ? N GLY A 41 1 -ATOM 265 C CA . GLY A 1 41 . -22.414 59.661 57.013 1.00 25.93 ? CA GLY A 41 1 -ATOM 266 C C . GLY A 1 41 . -21.868 58.298 56.733 1.00 26.15 ? C GLY A 41 1 -ATOM 267 O O . GLY A 1 41 . -20.822 57.901 57.228 1.00 30.02 ? O GLY A 41 1 -ATOM 268 N N . ASN A 1 42 . -22.623 57.602 55.878 1.00 28.14 ? N ASN A 42 1 -ATOM 269 C CA . ASN A 1 42 . -22.273 56.252 55.477 1.00 31.52 ? CA ASN A 42 1 -ATOM 270 C C . ASN A 1 42 . -20.982 56.182 54.642 1.00 32.76 ? C ASN A 42 1 -ATOM 271 O O . ASN A 1 42 . -20.514 55.113 54.276 1.00 31.62 ? O ASN A 42 1 -ATOM 272 C CB . ASN A 1 42 . -23.492 55.583 54.843 1.00 29.49 ? CB ASN A 42 1 -ATOM 273 N N . MET A 1 43 . -20.390 57.351 54.357 1.00 33.93 ? N MET A 43 1 -ATOM 274 C CA . MET A 1 43 . -19.153 57.405 53.590 1.00 34.65 ? CA MET A 43 1 -ATOM 275 C C . MET A 1 43 . -17.935 57.446 54.473 1.00 33.26 ? C MET A 43 1 -ATOM 276 O O . MET A 1 43 . -16.805 57.433 53.997 1.00 34.27 ? O MET A 43 1 -ATOM 277 C CB . MET A 1 43 . -19.165 58.630 52.682 1.00 37.67 ? CB MET A 43 1 -ATOM 278 C CG . MET A 1 43 . -20.371 58.550 51.737 1.00 40.13 ? CG MET A 43 1 -ATOM 279 S SD . MET A 1 43 . -19.833 59.076 50.095 1.00 47.63 ? SD MET A 43 1 -ATOM 280 C CE . MET A 1 43 . -19.690 60.877 50.378 1.00 44.23 ? CE MET A 43 1 -ATOM 281 N N . ARG A 1 44 . -18.166 57.528 55.783 1.00 30.06 ? N ARG A 44 1 -ATOM 282 C CA . ARG A 1 44 . -17.026 57.556 56.677 1.00 26.22 ? CA ARG A 44 1 -ATOM 283 C C . ARG A 1 44 . -16.200 56.290 56.450 1.00 23.34 ? C ARG A 44 1 -ATOM 284 O O . ARG A 1 44 . -16.777 55.227 56.309 1.00 17.04 ? O ARG A 44 1 -ATOM 285 C CB . ARG A 1 44 . -17.503 57.608 58.154 1.00 26.73 ? CB ARG A 44 1 -ATOM 286 C CG . ARG A 1 44 . -16.350 57.879 59.143 1.00 24.95 ? CG ARG A 44 1 -ATOM 287 C CD . ARG A 1 44 . -16.741 57.776 60.605 1.00 19.41 ? CD ARG A 44 1 -ATOM 288 N NE . ARG A 1 44 . -17.507 58.934 61.005 1.00 20.92 ? NE ARG A 44 1 -ATOM 289 C CZ . ARG A 1 44 . -18.057 58.982 62.228 1.00 25.75 ? CZ ARG A 44 1 -ATOM 290 N NH1 . ARG A 1 44 . -17.995 57.949 63.063 1.00 20.03 ? NH1 ARG A 44 1 -ATOM 291 N NH2 . ARG A 1 44 . -18.688 60.079 62.620 1.00 28.74 ? NH2 ARG A 44 1 -ATOM 292 N N . PHE A 1 45 . -14.874 56.430 56.432 1.00 22.58 ? N PHE A 45 1 -ATOM 293 C CA . PHE A 1 45 . -13.973 55.303 56.241 1.00 24.6 ? CA PHE A 45 1 -ATOM 294 C C . PHE A 1 45 . -13.869 54.856 54.801 1.00 26.95 ? C PHE A 45 1 -ATOM 295 O O . PHE A 1 45 . -12.971 54.090 54.462 1.00 32.12 ? O PHE A 45 1 -ATOM 296 C CB . PHE A 1 45 . -14.279 54.062 57.117 1.00 24.86 ? CB PHE A 45 1 -ATOM 297 C CG . PHE A 1 45 . -14.422 54.432 58.584 1.00 31.63 ? CG PHE A 45 1 -ATOM 298 C CD1 . PHE A 1 45 . -13.381 55.119 59.260 1.00 29.49 ? CD1 PHE A 45 1 -ATOM 299 C CD2 . PHE A 1 45 . -15.605 54.120 59.289 1.00 29.74 ? CD2 PHE A 45 1 -ATOM 300 C CE1 . PHE A 1 45 . -13.531 55.500 60.597 1.00 26.98 ? CE1 PHE A 45 1 -ATOM 301 C CE2 . PHE A 1 45 . -15.744 54.500 60.630 1.00 28.3 ? CE2 PHE A 45 1 -ATOM 302 C CZ . PHE A 1 45 . -14.716 55.196 61.278 1.00 26.58 ? CZ PHE A 45 1 -ATOM 303 N N . ARG A 1 46 . -14.770 55.330 53.947 1.00 26.89 ? N ARG A 46 1 -ATOM 304 C CA . ARG A 1 46 . -14.704 54.881 52.560 1.00 25.38 ? CA ARG A 46 1 -ATOM 305 C C . ARG A 1 46 . -13.835 55.815 51.756 1.00 22.97 ? C ARG A 46 1 -ATOM 306 O O . ARG A 1 46 . -13.538 56.937 52.136 1.00 19.69 ? O ARG A 46 1 -ATOM 307 C CB . ARG A 1 46 . -16.095 54.907 51.956 1.00 30.17 ? CB ARG A 46 1 -ATOM 308 C CG . ARG A 1 46 . -16.952 53.785 52.545 1.00 36.6 ? CG ARG A 46 1 -ATOM 309 C CD . ARG A 1 46 . -18.289 53.639 51.817 1.00 45.15 ? CD ARG A 46 1 -ATOM 310 N NE . ARG A 1 46 . -18.359 52.390 51.078 1.00 50.41 ? NE ARG A 46 1 -ATOM 311 N N . ARG A 1 47 . -13.446 55.274 50.622 1.00 17.96 ? N ARG A 47 1 -ATOM 312 C CA . ARG A 1 47 . -12.572 56.029 49.722 1.00 13.93 ? CA ARG A 47 1 -ATOM 313 C C . ARG A 1 47 . -13.318 57.269 49.231 1.00 10.14 ? C ARG A 47 1 -ATOM 314 O O . ARG A 1 47 . -14.526 57.161 49.107 1.00 14.08 ? O ARG A 47 1 -ATOM 315 C CB . ARG A 1 47 . -12.068 55.222 48.516 1.00 16.88 ? CB ARG A 47 1 -ATOM 316 C CG . ARG A 1 47 . -12.371 53.729 48.484 1.00 22.12 ? CG ARG A 47 1 -ATOM 317 C CD . ARG A 1 47 . -11.133 52.923 47.979 1.00 23.05 ? CD ARG A 47 1 -ATOM 318 N NE . ARG A 1 47 . -11.447 51.504 47.852 0.06 15.19 ? NE ARG A 47 1 -ATOM 319 C CZ . ARG A 1 47 . -10.463 50.635 47.534 0.06 12.62 ? CZ ARG A 47 1 -ATOM 320 N NH1 . ARG A 1 47 . -9.186 50.983 47.289 0.06 11.23 ? NH1 ARG A 47 1 -ATOM 321 N NH2 . ARG A 1 47 . -10.897 49.352 47.483 0.06 10.41 ? NH2 ARG A 47 1 -ATOM 322 N N . PRO A 1 48 . -12.618 58.367 48.935 1.00 6.34 ? N PRO A 48 1 -ATOM 323 C CA . PRO A 1 48 . -13.323 59.597 48.534 1.00 11.93 ? CA PRO A 48 1 -ATOM 324 C C . PRO A 1 48 . -13.937 59.577 47.126 1.00 16.79 ? C PRO A 48 1 -ATOM 325 O O . PRO A 1 48 . -13.374 59.012 46.195 1.00 17.1 ? O PRO A 48 1 -ATOM 326 C CB . PRO A 1 48 . -12.224 60.664 48.594 1.00 8.51 ? CB PRO A 48 1 -ATOM 327 C CG . PRO A 1 48 . -10.920 59.881 48.407 1.00 8.25 ? CG PRO A 48 1 -ATOM 328 C CD . PRO A 1 48 . -11.171 58.513 49.037 1.00 5.71 ? CD PRO A 48 1 -ATOM 329 N N . GLU A 1 49 . -15.109 60.234 46.973 1.00 20.27 ? N GLU A 49 1 -ATOM 330 C CA . GLU A 1 49 . -15.726 60.303 45.642 1.00 20.95 ? CA GLU A 49 1 -ATOM 331 C C . GLU A 1 49 . -15.296 61.616 45.036 1.00 20.57 ? C GLU A 49 1 -ATOM 332 O O . GLU A 1 49 . -15.185 62.573 45.792 1.00 21.43 ? O GLU A 49 1 -ATOM 333 C CB . GLU A 1 49 . -17.264 60.383 45.663 1.00 27.74 ? CB GLU A 49 1 -ATOM 334 C CG . GLU A 1 49 . -17.958 59.115 46.176 1.00 37.97 ? CG GLU A 49 1 -ATOM 335 C CD . GLU A 1 49 . -19.473 59.230 46.012 1.00 42.75 ? CD GLU A 49 1 -ATOM 336 O OE1 . GLU A 1 49 . -20.030 60.296 46.295 1.00 47.09 ? OE1 GLU A 49 1 -ATOM 337 O OE2 . GLU A 1 49 . -20.092 58.250 45.598 1.00 49.76 ? OE2 GLU A 49 1 -ATOM 338 N N . PRO A 1 50 . -15.143 61.696 43.692 1.00 19.49 ? N PRO A 50 1 -ATOM 339 C CA . PRO A 1 50 . -14.871 62.976 43.054 1.00 17.83 ? CA PRO A 50 1 -ATOM 340 C C . PRO A 1 50 . -16.095 63.827 43.265 1.00 22.18 ? C PRO A 50 1 -ATOM 341 O O . PRO A 1 50 . -17.208 63.309 43.296 1.00 26.65 ? O PRO A 50 1 -ATOM 342 C CB . PRO A 1 50 . -14.564 62.647 41.609 1.00 18.41 ? CB PRO A 50 1 -ATOM 343 C CG . PRO A 1 50 . -14.684 61.118 41.449 1.00 22.2 ? CG PRO A 50 1 -ATOM 344 C CD . PRO A 1 50 . -15.207 60.570 42.775 1.00 20.22 ? CD PRO A 50 1 -ATOM 345 N N . LYS A 1 51 . -15.878 65.129 43.433 1.00 24.77 ? N LYS A 51 1 -ATOM 346 C CA . LYS A 1 51 . -17.011 65.994 43.725 1.00 29.54 ? CA LYS A 51 1 -ATOM 347 C C . LYS A 1 51 . -17.920 66.304 42.558 1.00 33.14 ? C LYS A 51 1 -ATOM 348 O O . LYS A 1 51 . -17.460 66.654 41.482 1.00 36.22 ? O LYS A 51 1 -ATOM 349 C CB . LYS A 1 51 . -16.494 67.315 44.305 1.00 30.84 ? CB LYS A 51 1 -ATOM 350 C CG . LYS A 1 51 . -17.438 67.930 45.350 1.00 29.1 ? CG LYS A 51 1 -ATOM 351 C CD . LYS A 1 51 . -17.954 69.297 44.917 1.00 32.33 ? CD LYS A 51 1 -ATOM 352 C CE . LYS A 1 51 . -18.780 70.023 45.989 1.00 37.69 ? CE LYS A 51 1 -ATOM 353 N NZ . LYS A 1 51 . -19.987 69.282 46.342 1.00 44.09 ? NZ LYS A 51 1 -ATOM 354 N N . LYS A 1 52 . -19.237 66.214 42.814 1.00 33.86 ? N LYS A 52 1 -ATOM 355 C CA . LYS A 1 52 . -20.193 66.535 41.757 1.00 34.64 ? CA LYS A 52 1 -ATOM 356 C C . LYS A 1 52 . -20.045 68.015 41.406 1.00 34.51 ? C LYS A 52 1 -ATOM 357 O O . LYS A 1 52 . -19.902 68.825 42.311 1.00 32.61 ? O LYS A 52 1 -ATOM 358 C CB . LYS A 1 52 . -21.631 66.295 42.230 1.00 38.77 ? CB LYS A 52 1 -ATOM 359 C CG . LYS A 1 52 . -21.923 64.811 42.475 1.00 43.55 ? CG LYS A 52 1 -ATOM 360 C CD . LYS A 1 52 . -23.163 64.610 43.356 1.00 47.58 ? CD LYS A 52 1 -ATOM 361 C CE . LYS A 1 52 . -23.393 63.127 43.700 1.00 52.94 ? CE LYS A 52 1 -ATOM 362 N NZ . LYS A 1 52 . -24.124 62.998 44.953 1.00 56.7 ? NZ LYS A 52 1 -ATOM 363 N N . PRO A 1 53 . -20.056 68.371 40.105 1.00 35.14 ? N PRO A 53 1 -ATOM 364 C CA . PRO A 1 53 . -19.880 69.766 39.752 1.00 35.65 ? CA PRO A 53 1 -ATOM 365 C C . PRO A 1 53 . -20.983 70.593 40.350 1.00 36.92 ? C PRO A 53 1 -ATOM 366 O O . PRO A 1 53 . -22.042 70.101 40.731 1.00 37.97 ? O PRO A 53 1 -ATOM 367 C CB . PRO A 1 53 . -19.919 69.766 38.220 1.00 34.28 ? CB PRO A 53 1 -ATOM 368 C CG . PRO A 1 53 . -19.604 68.327 37.802 1.00 32.67 ? CG PRO A 53 1 -ATOM 369 C CD . PRO A 1 53 . -20.125 67.473 38.956 1.00 33.93 ? CD PRO A 53 1 -ATOM 370 N N . TRP A 1 54 . -20.715 71.881 40.395 1.00 37.83 ? N TRP A 54 1 -ATOM 371 C CA . TRP A 1 54 . -21.704 72.773 40.948 1.00 37.84 ? CA TRP A 54 1 -ATOM 372 C C . TRP A 1 54 . -22.015 73.853 39.924 1.00 41.97 ? C TRP A 54 1 -ATOM 373 O O . TRP A 1 54 . -21.310 74.126 38.951 1.00 41.63 ? O TRP A 54 1 -ATOM 374 C CB . TRP A 1 54 . -21.223 73.316 42.315 1.00 30.12 ? CB TRP A 54 1 -ATOM 375 C CG . TRP A 1 54 . -19.918 74.055 42.160 1.00 17.64 ? CG TRP A 54 1 -ATOM 376 C CD1 . TRP A 1 54 . -19.780 75.404 41.755 1.00 17.68 ? CD1 TRP A 54 1 -ATOM 377 C CD2 . TRP A 1 54 . -18.631 73.527 42.308 1.00 15.11 ? CD2 TRP A 54 1 -ATOM 378 N NE1 . TRP A 1 54 . -18.473 75.731 41.635 1.00 18.46 ? NE1 TRP A 54 1 -ATOM 379 C CE2 . TRP A 1 54 . -17.707 74.634 41.955 1.00 16.29 ? CE2 TRP A 54 1 -ATOM 380 C CE3 . TRP A 1 54 . -18.123 72.274 42.655 1.00 9.58 ? CE3 TRP A 54 1 -ATOM 381 C CZ2 . TRP A 1 54 . -16.324 74.409 41.983 1.00 12.62 ? CZ2 TRP A 54 1 -ATOM 382 C CZ3 . TRP A 1 54 . -16.732 72.090 42.666 1.00 8.82 ? CZ3 TRP A 54 1 -ATOM 383 C CH2 . TRP A 1 54 . -15.847 73.138 42.342 1.00 11.55 ? CH2 TRP A 54 1 -ATOM 384 N N . SER A 1 55 . -23.157 74.468 40.195 1.00 46.06 ? N SER A 55 1 -ATOM 385 C CA . SER A 1 55 . -23.649 75.549 39.372 1.00 48.87 ? CA SER A 55 1 -ATOM 386 C C . SER A 1 55 . -23.364 76.787 40.199 1.00 47.85 ? C SER A 55 1 -ATOM 387 O O . SER A 1 55 . -23.043 76.715 41.382 1.00 46.18 ? O SER A 55 1 -ATOM 388 C CB . SER A 1 55 . -25.153 75.354 39.109 1.00 51.18 ? CB SER A 55 1 -ATOM 389 O OG . SER A 1 55 . -25.787 74.843 40.292 1.00 58.54 ? OG SER A 55 1 -ATOM 390 N N . GLY A 1 56 . -23.508 77.943 39.575 1.00 46.29 ? N GLY A 56 1 -ATOM 391 C CA . GLY A 1 56 . -23.243 79.120 40.376 1.00 46.52 ? CA GLY A 56 1 -ATOM 392 C C . GLY A 1 56 . -21.763 79.303 40.447 1.00 43.81 ? C GLY A 56 1 -ATOM 393 O O . GLY A 1 56 . -21.016 78.780 39.623 1.00 46.74 ? O GLY A 56 1 -ATOM 394 N N . VAL A 1 57 . -21.377 80.089 41.434 1.00 39.39 ? N VAL A 57 1 -ATOM 395 C CA . VAL A 1 57 . -19.994 80.367 41.663 1.00 35.44 ? CA VAL A 57 1 -ATOM 396 C C . VAL A 1 57 . -19.775 79.847 43.070 1.00 38.08 ? C VAL A 57 1 -ATOM 397 O O . VAL A 1 57 . -20.596 80.025 43.964 1.00 37.4 ? O VAL A 57 1 -ATOM 398 C CB . VAL A 1 57 . -19.733 81.891 41.571 1.00 29.31 ? CB VAL A 57 1 -ATOM 399 C CG1 . VAL A 1 57 . -18.822 82.249 40.414 1.00 29.88 ? CG1 VAL A 57 1 -ATOM 400 C CG2 . VAL A 1 57 . -21.016 82.725 41.454 1.00 35.24 ? CG2 VAL A 57 1 -ATOM 401 N N . TRP A 1 58 . -18.641 79.180 43.258 1.00 38.8 ? N TRP A 58 1 -ATOM 402 C CA . TRP A 1 58 . -18.314 78.692 44.572 1.00 34.49 ? CA TRP A 58 1 -ATOM 403 C C . TRP A 1 58 . -17.604 79.887 45.168 1.00 35.37 ? C TRP A 58 1 -ATOM 404 O O . TRP A 1 58 . -16.763 80.508 44.513 1.00 36.57 ? O TRP A 58 1 -ATOM 405 C CB . TRP A 1 58 . -17.320 77.542 44.483 1.00 32.34 ? CB TRP A 58 1 -ATOM 406 C CG . TRP A 1 58 . -17.216 76.872 45.822 1.00 33.36 ? CG TRP A 58 1 -ATOM 407 C CD1 . TRP A 1 58 . -16.307 77.208 46.851 1.00 30.36 ? CD1 TRP A 58 1 -ATOM 408 C CD2 . TRP A 1 58 . -18.023 75.828 46.280 1.00 30.42 ? CD2 TRP A 58 1 -ATOM 409 N NE1 . TRP A 1 58 . -16.530 76.417 47.920 1.00 30.04 ? NE1 TRP A 58 1 -ATOM 410 C CE2 . TRP A 1 58 . -17.560 75.553 47.647 1.00 28.9 ? CE2 TRP A 58 1 -ATOM 411 C CE3 . TRP A 1 58 . -19.060 75.079 45.722 1.00 32.78 ? CE3 TRP A 58 1 -ATOM 412 C CZ2 . TRP A 1 58 . -18.195 74.553 48.389 1.00 30.89 ? CZ2 TRP A 58 1 -ATOM 413 C CZ3 . TRP A 1 58 . -19.668 74.071 46.487 1.00 34.22 ? CZ3 TRP A 58 1 -ATOM 414 C CH2 . TRP A 1 58 . -19.244 73.819 47.804 1.00 35.78 ? CH2 TRP A 58 1 -ATOM 415 N N . ASN A 1 59 . -17.961 80.227 46.395 1.00 34.61 ? N ASN A 59 1 -ATOM 416 C CA . ASN A 1 59 . -17.306 81.370 47.007 1.00 32.65 ? CA ASN A 59 1 -ATOM 417 C C . ASN A 1 59 . -16.065 80.811 47.645 1.00 30.32 ? C ASN A 59 1 -ATOM 418 O O . ASN A 1 59 . -16.183 79.977 48.525 1.00 33.22 ? O ASN A 59 1 -ATOM 419 C CB . ASN A 1 59 . -18.226 81.979 48.075 1.00 37.84 ? CB ASN A 59 1 -ATOM 420 C CG . ASN A 1 59 . -17.671 83.293 48.596 1.00 42.52 ? CG ASN A 59 1 -ATOM 421 O OD1 . ASN A 1 59 . -17.007 83.365 49.615 1.00 47.22 ? OD1 ASN A 59 1 -ATOM 422 N ND2 . ASN A 1 59 . -17.927 84.356 47.842 1.00 44.27 ? ND2 ASN A 59 1 -ATOM 423 N N . ALA A 1 60 . -14.896 81.244 47.205 1.00 24.99 ? N ALA A 60 1 -ATOM 424 C CA . ALA A 1 60 . -13.669 80.730 47.765 1.00 23.98 ? CA ALA A 60 1 -ATOM 425 C C . ALA A 1 60 . -12.939 81.819 48.482 1.00 27.18 ? C ALA A 60 1 -ATOM 426 O O . ALA A 1 60 . -11.769 82.062 48.199 1.00 27.44 ? O ALA A 60 1 -ATOM 427 C CB . ALA A 1 60 . -12.767 80.191 46.652 1.00 26.41 ? CB ALA A 60 1 -ATOM 428 N N . SER A 1 61 . -13.642 82.467 49.421 1.00 31.48 ? N SER A 61 1 -ATOM 429 C CA . SER A 1 61 . -13.040 83.578 50.173 1.00 32.86 ? CA SER A 61 1 -ATOM 430 C C . SER A 1 61 . -12.625 83.304 51.622 1.00 34.53 ? C SER A 61 1 -ATOM 431 O O . SER A 1 61 . -12.053 84.157 52.298 1.00 36.5 ? O SER A 61 1 -ATOM 432 C CB . SER A 1 61 . -14.065 84.730 50.228 1.00 31.96 ? CB SER A 61 1 -ATOM 433 O OG . SER A 1 61 . -14.657 84.951 48.941 1.00 38.85 ? OG SER A 61 1 -ATOM 434 N N . THR A 1 62 . -12.931 82.118 52.137 1.00 33.87 ? N THR A 62 1 -ATOM 435 C CA . THR A 1 62 . -12.587 81.857 53.529 1.00 30.62 ? CA THR A 62 1 -ATOM 436 C C . THR A 1 62 . -11.978 80.477 53.615 1.00 28.79 ? C THR A 62 1 -ATOM 437 O O . THR A 1 62 . -12.095 79.707 52.675 1.00 32.61 ? O THR A 62 1 -ATOM 438 C CB . THR A 1 62 . -13.883 82.017 54.348 1.00 31.32 ? CB THR A 62 1 -ATOM 439 O OG1 . THR A 1 62 . -14.976 81.404 53.663 1.00 29.68 ? OG1 THR A 62 1 -ATOM 440 C CG2 . THR A 1 62 . -14.286 83.490 54.576 1.00 31.03 ? CG2 THR A 62 1 -ATOM 441 N N . TYR A 1 63 . -11.300 80.174 54.729 1.00 25.93 ? N TYR A 63 1 -ATOM 442 C CA . TYR A 1 63 . -10.717 78.836 54.813 1.00 19.78 ? CA TYR A 63 1 -ATOM 443 C C . TYR A 1 63 . -11.796 77.818 55.072 1.00 18.69 ? C TYR A 63 1 -ATOM 444 O O . TYR A 1 63 . -12.836 78.140 55.619 1.00 18.46 ? O TYR A 63 1 -ATOM 445 C CB . TYR A 1 63 . -9.722 78.710 55.951 1.00 15.15 ? CB TYR A 63 1 -ATOM 446 C CG . TYR A 1 63 . -8.453 79.424 55.622 1.00 15.43 ? CG TYR A 63 1 -ATOM 447 C CD1 . TYR A 1 63 . -7.489 78.794 54.827 1.00 15.81 ? CD1 TYR A 63 1 -ATOM 448 C CD2 . TYR A 1 63 . -8.225 80.720 56.109 1.00 17.62 ? CD2 TYR A 63 1 -ATOM 449 C CE1 . TYR A 1 63 . -6.285 79.443 54.537 1.00 19.43 ? CE1 TYR A 63 1 -ATOM 450 C CE2 . TYR A 1 63 . -7.024 81.375 55.809 1.00 20.65 ? CE2 TYR A 63 1 -ATOM 451 C CZ . TYR A 1 63 . -6.048 80.737 55.025 1.00 19.7 ? CZ TYR A 63 1 -ATOM 452 O OH . TYR A 1 63 . -4.857 81.380 54.735 1.00 24.19 ? OH TYR A 63 1 -ATOM 453 N N . PRO A 1 64 . -11.522 76.573 54.693 1.00 19.06 ? N PRO A 64 1 -ATOM 454 C CA . PRO A 1 64 . -12.468 75.517 55.001 1.00 20.68 ? CA PRO A 64 1 -ATOM 455 C C . PRO A 1 64 . -12.327 75.036 56.444 1.00 18.38 ? C PRO A 64 1 -ATOM 456 O O . PRO A 1 64 . -11.485 75.450 57.224 1.00 17.54 ? O PRO A 64 1 -ATOM 457 C CB . PRO A 1 64 . -12.081 74.422 53.982 1.00 22.54 ? CB PRO A 64 1 -ATOM 458 C CG . PRO A 1 64 . -10.591 74.661 53.665 1.00 21.58 ? CG PRO A 64 1 -ATOM 459 C CD . PRO A 1 64 . -10.386 76.162 53.866 1.00 19.54 ? CD PRO A 64 1 -ATOM 460 N N . ASN A 1 65 . -13.221 74.112 56.766 1.00 20.56 ? N ASN A 65 1 -ATOM 461 C CA . ASN A 1 65 . -13.196 73.527 58.091 1.00 23.26 ? CA ASN A 65 1 -ATOM 462 C C . ASN A 1 65 . -11.989 72.626 58.109 1.00 22.74 ? C ASN A 65 1 -ATOM 463 O O . ASN A 1 65 . -11.470 72.232 57.067 1.00 23.75 ? O ASN A 65 1 -ATOM 464 C CB . ASN A 1 65 . -14.439 72.651 58.366 1.00 27.73 ? CB ASN A 65 1 -ATOM 465 C CG . ASN A 1 65 . -15.731 73.455 58.323 1.00 36.61 ? CG ASN A 65 1 -ATOM 466 O OD1 . ASN A 1 65 . -15.859 74.583 58.789 1.00 37.06 ? OD1 ASN A 65 1 -ATOM 467 N ND2 . ASN A 1 65 . -16.725 72.834 57.702 1.00 40.45 ? ND2 ASN A 65 1 -ATOM 468 N N . ASN A 1 66 . -11.573 72.259 59.314 1.00 21.64 ? N ASN A 66 1 -ATOM 469 C CA . ASN A 1 66 . -10.423 71.387 59.440 1.00 16.44 ? CA ASN A 66 1 -ATOM 470 C C . ASN A 1 66 . -10.979 70.013 59.711 1.00 16.55 ? C ASN A 66 1 -ATOM 471 O O . ASN A 1 66 . -12.110 69.833 60.146 1.00 14.3 ? O ASN A 66 1 -ATOM 472 C CB . ASN A 1 66 . -9.482 71.882 60.547 1.00 16.96 ? CB ASN A 66 1 -ATOM 473 C CG . ASN A 1 66 . -8.813 73.191 60.115 1.00 18.49 ? CG ASN A 66 1 -ATOM 474 O OD1 . ASN A 1 66 . -8.817 73.579 58.965 1.00 26.03 ? OD1 ASN A 66 1 -ATOM 475 N ND2 . ASN A 1 66 . -8.183 73.894 61.037 1.00 16.89 ? ND2 ASN A 66 1 -ATOM 476 N N . CYS A 1 67 . -10.185 68.993 59.417 1.00 17.25 ? N CYS A 67 1 -ATOM 477 C CA . CYS A 1 67 . -10.706 67.656 59.682 1.00 18.57 ? CA CYS A 67 1 -ATOM 478 C C . CYS A 1 67 . -10.667 67.450 61.184 1.00 19.81 ? C CYS A 67 1 -ATOM 479 O O . CYS A 1 67 . -9.984 68.203 61.875 1.00 20.61 ? O CYS A 67 1 -ATOM 480 C CB . CYS A 1 67 . -9.863 66.601 58.960 1.00 17.42 ? CB CYS A 67 1 -ATOM 481 S SG . CYS A 1 67 . -9.905 66.802 57.151 1.00 18.98 ? SG CYS A 67 1 -ATOM 482 N N . GLN A 1 68 . -11.393 66.439 61.675 1.00 17.55 ? N GLN A 68 1 -ATOM 483 C CA . GLN A 1 68 . -11.407 66.168 63.091 1.00 17.18 ? CA GLN A 68 1 -ATOM 484 C C . GLN A 1 68 . -10.043 65.664 63.483 1.00 19.88 ? C GLN A 68 1 -ATOM 485 O O . GLN A 1 68 . -9.417 64.953 62.712 1.00 21.99 ? O GLN A 68 1 -ATOM 486 C CB . GLN A 1 68 . -12.416 65.039 63.353 1.00 15.22 ? CB GLN A 68 1 -ATOM 487 C CG . GLN A 1 68 . -13.847 65.325 62.915 1.00 18.79 ? CG GLN A 68 1 -ATOM 488 C CD . GLN A 1 68 . -14.639 66.144 63.915 1.00 21.79 ? CD GLN A 68 1 -ATOM 489 O OE1 . GLN A 1 68 . -15.813 65.936 64.118 1.00 25.17 ? OE1 GLN A 68 1 -ATOM 490 N NE2 . GLN A 1 68 . -14.006 67.092 64.571 1.00 21.53 ? NE2 GLN A 68 1 -ATOM 491 N N . GLN A 1 69 . -9.585 66.025 64.673 1.00 20.12 ? N GLN A 69 1 -ATOM 492 C CA . GLN A 1 69 . -8.279 65.555 65.080 1.00 18.14 ? CA GLN A 69 1 -ATOM 493 C C . GLN A 1 69 . -8.147 65.827 66.551 1.00 17.2 ? C GLN A 69 1 -ATOM 494 O O . GLN A 1 69 . -9.001 66.466 67.156 1.00 19.15 ? O GLN A 69 1 -ATOM 495 C CB . GLN A 1 69 . -7.197 66.296 64.294 1.00 13.21 ? CB GLN A 69 1 -ATOM 496 C CG . GLN A 1 69 . -7.408 67.813 64.392 1.00 13.01 ? CG GLN A 69 1 -ATOM 497 C CD . GLN A 1 69 . -6.498 68.483 63.423 1.00 16.68 ? CD GLN A 69 1 -ATOM 498 O OE1 . GLN A 1 69 . -5.318 68.723 63.680 1.00 11.84 ? OE1 GLN A 69 1 -ATOM 499 N NE2 . GLN A 1 69 . -7.090 68.699 62.256 1.00 13.06 ? NE2 GLN A 69 1 -ATOM 500 N N . TYR A 1 70 . -7.044 65.343 67.113 1.00 14.49 ? N TYR A 70 1 -ATOM 501 C CA . TYR A 1 70 . -6.790 65.538 68.513 1.00 12.98 ? CA TYR A 70 1 -ATOM 502 C C . TYR A 1 70 . -6.205 66.938 68.694 1.00 15.14 ? C TYR A 70 1 -ATOM 503 O O . TYR A 1 70 . -5.191 67.281 68.101 1.00 14.54 ? O TYR A 70 1 -ATOM 504 C CB . TYR A 1 70 . -5.840 64.438 68.969 1.00 12.17 ? CB TYR A 70 1 -ATOM 505 C CG . TYR A 1 70 . -5.233 64.737 70.316 1.00 23.88 ? CG TYR A 70 1 -ATOM 506 C CD1 . TYR A 1 70 . -5.991 64.599 71.488 1.00 25.6 ? CD1 TYR A 70 1 -ATOM 507 C CD2 . TYR A 1 70 . -3.895 65.176 70.399 1.00 30.1 ? CD2 TYR A 70 1 -ATOM 508 C CE1 . TYR A 1 70 . -5.410 64.871 72.737 1.00 33.68 ? CE1 TYR A 70 1 -ATOM 509 C CE2 . TYR A 1 70 . -3.309 65.448 71.647 1.00 34.94 ? CE2 TYR A 70 1 -ATOM 510 C CZ . TYR A 1 70 . -4.068 65.298 72.822 1.00 37.28 ? CZ TYR A 70 1 -ATOM 511 O OH . TYR A 1 70 . -3.512 65.590 74.064 1.00 42.92 ? OH TYR A 70 1 -ATOM 512 N N . VAL A 1 71 . -6.861 67.738 69.544 1.00 15.09 ? N VAL A 71 1 -ATOM 513 C CA . VAL A 1 71 . -6.376 69.079 69.781 1.00 17.72 ? CA VAL A 71 1 -ATOM 514 C C . VAL A 1 71 . -5.276 68.956 70.821 1.00 20.76 ? C VAL A 71 1 -ATOM 515 O O . VAL A 1 71 . -5.424 68.232 71.802 1.00 23.36 ? O VAL A 71 1 -ATOM 516 C CB . VAL A 1 71 . -7.523 69.971 70.266 1.00 13.32 ? CB VAL A 71 1 -ATOM 517 C CG1 . VAL A 1 71 . -7.165 71.450 70.135 1.00 14.34 ? CG1 VAL A 71 1 -ATOM 518 C CG2 . VAL A 1 71 . -8.824 69.702 69.504 1.00 20.84 ? CG2 VAL A 71 1 -ATOM 519 N N . ASP A 1 72 . -4.183 69.698 70.626 1.00 20.45 ? N ASP A 72 1 -ATOM 520 C CA . ASP A 1 72 . -3.127 69.544 71.594 1.00 21.84 ? CA ASP A 72 1 -ATOM 521 C C . ASP A 1 72 . -3.302 70.556 72.658 1.00 26.3 ? C ASP A 72 1 -ATOM 522 O O . ASP A 1 72 . -3.206 71.743 72.396 1.00 30.97 ? O ASP A 72 1 -ATOM 523 C CB . ASP A 1 72 . -1.754 69.806 70.955 1.00 20.11 ? CB ASP A 72 1 -ATOM 524 C CG . ASP A 1 72 . -0.569 69.712 71.938 1.00 16.69 ? CG ASP A 72 1 -ATOM 525 O OD1 . ASP A 1 72 . -0.730 69.182 73.035 1.00 14.3 ? OD1 ASP A 72 1 -ATOM 526 O OD2 . ASP A 1 72 . 0.509 70.179 71.599 1.00 15.91 ? OD2 ASP A 72 1 -ATOM 527 N N . GLU A 1 73 . -3.506 70.103 73.893 1.00 26.74 ? N GLU A 73 1 -ATOM 528 C CA . GLU A 1 73 . -3.640 71.101 74.945 1.00 27.99 ? CA GLU A 73 1 -ATOM 529 C C . GLU A 1 73 . -2.727 70.780 76.094 1.00 27.05 ? C GLU A 73 1 -ATOM 530 O O . GLU A 1 73 . -3.059 70.917 77.258 1.00 29.33 ? O GLU A 73 1 -ATOM 531 C CB . GLU A 1 73 . -5.101 71.421 75.302 1.00 27.16 ? CB GLU A 73 1 -ATOM 532 C CG . GLU A 1 73 . -5.977 70.214 75.663 1.00 24.07 ? CG GLU A 73 1 -ATOM 533 C CD . GLU A 1 73 . -7.451 70.568 75.563 1.00 25.62 ? CD GLU A 73 1 -ATOM 534 O OE1 . GLU A 1 73 . -7.784 71.736 75.339 1.00 26.72 ? OE1 GLU A 73 1 -ATOM 535 O OE2 . GLU A 1 73 . -8.264 69.660 75.686 1.00 28.37 ? OE2 GLU A 73 1 -ATOM 536 N N . GLN A 1 74 . -1.517 70.335 75.725 1.00 24.18 ? N GLN A 74 1 -ATOM 537 C CA . GLN A 1 74 . -0.546 70.019 76.766 1.00 19.75 ? CA GLN A 74 1 -ATOM 538 C C . GLN A 1 74 . 0.044 71.294 77.338 1.00 19.07 ? C GLN A 74 1 -ATOM 539 O O . GLN A 1 74 . 0.621 71.275 78.414 1.00 27.55 ? O GLN A 74 1 -ATOM 540 C CB . GLN A 1 74 . 0.568 69.058 76.295 1.00 17.91 ? CB GLN A 74 1 -ATOM 541 C CG . GLN A 1 74 . 1.124 68.127 77.404 1.00 15.27 ? CG GLN A 74 1 -ATOM 542 C CD . GLN A 1 74 . 1.981 68.819 78.458 1.00 19.09 ? CD GLN A 74 1 -ATOM 543 N N . PHE A 1 75 . -0.054 72.391 76.599 1.00 16.81 ? N PHE A 75 1 -ATOM 544 C CA . PHE A 1 75 . 0.473 73.652 77.110 1.00 14.63 ? CA PHE A 75 1 -ATOM 545 C C . PHE A 1 75 . -0.519 74.701 76.670 1.00 15.75 ? C PHE A 75 1 -ATOM 546 O O . PHE A 1 75 . -0.237 75.476 75.759 1.00 12.66 ? O PHE A 75 1 -ATOM 547 C CB . PHE A 1 75 . 1.868 73.986 76.534 1.00 15.63 ? CB PHE A 75 1 -ATOM 548 C CG . PHE A 1 75 . 2.928 72.957 76.865 1.00 18.37 ? CG PHE A 75 1 -ATOM 549 C CD1 . PHE A 1 75 . 3.598 72.994 78.100 1.00 20.71 ? CD1 PHE A 75 1 -ATOM 550 C CD2 . PHE A 1 75 . 3.258 71.951 75.946 1.00 18.7 ? CD2 PHE A 75 1 -ATOM 551 C CE1 . PHE A 1 75 . 4.584 72.045 78.399 1.00 19.08 ? CE1 PHE A 75 1 -ATOM 552 C CE2 . PHE A 1 75 . 4.235 70.996 76.251 1.00 18.19 ? CE2 PHE A 75 1 -ATOM 553 C CZ . PHE A 1 75 . 4.903 71.041 77.477 1.00 17.69 ? CZ PHE A 75 1 -ATOM 554 N N . PRO A 1 76 . -1.744 74.678 77.265 1.00 16.59 ? N PRO A 76 1 -ATOM 555 C CA . PRO A 1 76 . -2.817 75.523 76.755 1.00 14.83 ? CA PRO A 76 1 -ATOM 556 C C . PRO A 1 76 . -2.395 76.960 76.723 1.00 13.89 ? C PRO A 76 1 -ATOM 557 O O . PRO A 1 76 . -1.759 77.441 77.645 1.00 13.58 ? O PRO A 76 1 -ATOM 558 C CB . PRO A 1 76 . -3.987 75.306 77.719 1.00 8.91 ? CB PRO A 76 1 -ATOM 559 C CG . PRO A 1 76 . -3.700 73.971 78.406 1.00 14.56 ? CG PRO A 76 1 -ATOM 560 C CD . PRO A 1 76 . -2.166 73.842 78.392 1.00 16.53 ? CD PRO A 76 1 -ATOM 561 N N . GLY A 1 77 . -2.741 77.619 75.619 1.00 15.94 ? N GLY A 77 1 -ATOM 562 C CA . GLY A 1 77 . -2.389 79.024 75.478 1.00 19.13 ? CA GLY A 77 1 -ATOM 563 C C . GLY A 1 77 . -0.983 79.255 74.957 1.00 20.3 ? C GLY A 77 1 -ATOM 564 O O . GLY A 1 77 . -0.685 80.291 74.364 1.00 21.3 ? O GLY A 77 1 -ATOM 565 N N . PHE A 1 78 . -0.109 78.252 75.139 1.00 15.84 ? N PHE A 78 1 -ATOM 566 C CA . PHE A 1 78 . 1.246 78.450 74.670 1.00 12.27 ? CA PHE A 78 1 -ATOM 567 C C . PHE A 1 78 . 1.308 78.493 73.158 1.00 14.11 ? C PHE A 78 1 -ATOM 568 O O . PHE A 1 78 . 0.957 77.528 72.493 1.00 13.8 ? O PHE A 78 1 -ATOM 569 C CB . PHE A 1 78 . 2.119 77.307 75.170 1.00 5.3 ? CB PHE A 78 1 -ATOM 570 C CG . PHE A 1 78 . 3.577 77.446 74.816 1.00 2 ? CG PHE A 78 1 -ATOM 571 C CD1 . PHE A 1 78 . 4.231 78.684 74.890 1.00 2 ? CD1 PHE A 78 1 -ATOM 572 C CD2 . PHE A 1 78 . 4.300 76.310 74.427 1.00 4.23 ? CD2 PHE A 78 1 -ATOM 573 C CE1 . PHE A 1 78 . 5.597 78.780 74.589 1.00 4.27 ? CE1 PHE A 78 1 -ATOM 574 C CE2 . PHE A 1 78 . 5.664 76.406 74.135 1.00 2 ? CE2 PHE A 78 1 -ATOM 575 C CZ . PHE A 1 78 . 6.313 77.638 74.221 1.00 3.02 ? CZ PHE A 78 1 -ATOM 576 N N . SER A 1 79 . 1.815 79.598 72.611 1.00 14.75 ? N SER A 79 1 -ATOM 577 C CA . SER A 1 79 . 1.897 79.700 71.151 1.00 15.44 ? CA SER A 79 1 -ATOM 578 C C . SER A 1 79 . 2.697 78.584 70.502 1.00 14.29 ? C SER A 79 1 -ATOM 579 O O . SER A 1 79 . 2.311 78.023 69.490 1.00 16.49 ? O SER A 79 1 -ATOM 580 C CB . SER A 1 79 . 2.481 81.045 70.710 1.00 15.68 ? CB SER A 79 1 -ATOM 581 O OG . SER A 1 79 . 3.691 81.268 71.437 1.00 27.82 ? OG SER A 79 1 -ATOM 582 N N . GLY A 1 80 . 3.810 78.235 71.123 1.00 11.96 ? N GLY A 80 1 -ATOM 583 C CA . GLY A 1 80 . 4.616 77.182 70.527 1.00 13.22 ? CA GLY A 80 1 -ATOM 584 C C . GLY A 1 80 . 3.864 75.898 70.204 1.00 11.3 ? C GLY A 80 1 -ATOM 585 O O . GLY A 1 80 . 4.277 75.133 69.351 1.00 10.75 ? O GLY A 80 1 -ATOM 586 N N . SER A 1 81 . 2.763 75.636 70.908 1.00 13.86 ? N SER A 81 1 -ATOM 587 C CA . SER A 1 81 . 2.028 74.419 70.622 1.00 18.66 ? CA SER A 81 1 -ATOM 588 C C . SER A 1 81 . 0.785 74.773 69.848 1.00 19.99 ? C SER A 81 1 -ATOM 589 O O . SER A 1 81 . 0.384 74.134 68.881 1.00 22.67 ? O SER A 81 1 -ATOM 590 C CB . SER A 1 81 . 1.723 73.612 71.906 1.00 18.45 ? CB SER A 81 1 -ATOM 591 O OG . SER A 1 81 . 0.831 74.263 72.818 1.00 22.06 ? OG SER A 81 1 -ATOM 592 N N . GLU A 1 82 . 0.180 75.859 70.287 1.00 22.4 ? N GLU A 82 1 -ATOM 593 C CA . GLU A 1 82 . -1.040 76.335 69.685 1.00 25.67 ? CA GLU A 82 1 -ATOM 594 C C . GLU A 1 82 . -0.906 76.617 68.200 1.00 23.3 ? C GLU A 82 1 -ATOM 595 O O . GLU A 1 82 . -1.831 76.370 67.440 1.00 27.14 ? O GLU A 82 1 -ATOM 596 C CB . GLU A 1 82 . -1.532 77.605 70.422 1.00 32.47 ? CB GLU A 82 1 -ATOM 597 C CG . GLU A 1 82 . -1.881 77.416 71.915 1.00 36.84 ? CG GLU A 82 1 -ATOM 598 C CD . GLU A 1 82 . -3.270 76.830 72.117 1.00 43.72 ? CD GLU A 82 1 -ATOM 599 O OE1 . GLU A 1 82 . -3.543 75.763 71.555 1.00 46.39 ? OE1 GLU A 82 1 -ATOM 600 O OE2 . GLU A 1 82 . -4.068 77.443 72.835 1.00 46.73 ? OE2 GLU A 82 1 -ATOM 601 N N . MET A 1 83 . 0.248 77.120 67.780 1.00 18.06 ? N MET A 83 1 -ATOM 602 C CA . MET A 1 83 . 0.401 77.412 66.360 1.00 17.25 ? CA MET A 83 1 -ATOM 603 C C . MET A 1 83 . 0.068 76.234 65.434 1.00 17.9 ? C MET A 83 1 -ATOM 604 O O . MET A 1 83 . -0.217 76.428 64.259 1.00 21.67 ? O MET A 83 1 -ATOM 605 C CB . MET A 1 83 . 1.822 77.934 66.058 1.00 15.6 ? CB MET A 83 1 -ATOM 606 C CG . MET A 1 83 . 2.927 76.975 66.505 1.00 19.41 ? CG MET A 83 1 -ATOM 607 S SD . MET A 1 83 . 4.383 77.143 65.446 1.00 28.06 ? SD MET A 83 1 -ATOM 608 C CE . MET A 1 83 . 5.245 78.487 66.290 1.00 35.21 ? CE MET A 83 1 -ATOM 609 N N . TRP A 1 84 . 0.122 75.015 65.987 1.00 13.03 ? N TRP A 84 1 -ATOM 610 C CA . TRP A 1 84 . -0.154 73.823 65.211 1.00 10.68 ? CA TRP A 84 1 -ATOM 611 C C . TRP A 1 84 . -1.550 73.249 65.396 1.00 11.34 ? C TRP A 84 1 -ATOM 612 O O . TRP A 1 84 . -1.813 72.168 64.877 1.00 14.46 ? O TRP A 84 1 -ATOM 613 C CB . TRP A 1 84 . 0.789 72.670 65.625 1.00 11.48 ? CB TRP A 84 1 -ATOM 614 C CG . TRP A 1 84 . 2.245 73.044 65.576 1.00 11.73 ? CG TRP A 84 1 -ATOM 615 C CD1 . TRP A 1 84 . 3.028 73.442 66.672 1.00 10.38 ? CD1 TRP A 84 1 -ATOM 616 C CD2 . TRP A 1 84 . 3.062 73.098 64.437 1.00 12.68 ? CD2 TRP A 84 1 -ATOM 617 N NE1 . TRP A 1 84 . 4.277 73.747 66.266 1.00 9.3 ? NE1 TRP A 84 1 -ATOM 618 C CE2 . TRP A 1 84 . 4.378 73.566 64.911 1.00 12.27 ? CE2 TRP A 84 1 -ATOM 619 C CE3 . TRP A 1 84 . 2.858 72.867 63.071 1.00 14.19 ? CE3 TRP A 84 1 -ATOM 620 C CZ2 . TRP A 1 84 . 5.406 73.766 63.977 1.00 13.17 ? CZ2 TRP A 84 1 -ATOM 621 C CZ3 . TRP A 1 84 . 3.909 73.089 62.167 1.00 12.49 ? CZ3 TRP A 84 1 -ATOM 622 C CH2 . TRP A 1 84 . 5.167 73.528 62.615 1.00 12.78 ? CH2 TRP A 84 1 -ATOM 623 N N . ASN A 1 85 . -2.439 73.908 66.131 1.00 11.34 ? N ASN A 85 1 -ATOM 624 C CA . ASN A 1 85 . -3.767 73.296 66.338 1.00 14.49 ? CA ASN A 85 1 -ATOM 625 C C . ASN A 1 85 . -4.784 73.834 65.359 1.00 15.95 ? C ASN A 85 1 -ATOM 626 O O . ASN A 1 85 . -4.643 74.972 64.916 1.00 19.96 ? O ASN A 85 1 -ATOM 627 C CB . ASN A 1 85 . -4.309 73.642 67.730 1.00 19.34 ? CB ASN A 85 1 -ATOM 628 C CG . ASN A 1 85 . -3.765 72.718 68.778 1.00 22.6 ? CG ASN A 85 1 -ATOM 629 O OD1 . ASN A 1 85 . -2.968 71.846 68.502 1.00 26.16 ? OD1 ASN A 85 1 -ATOM 630 N ND2 . ASN A 1 85 . -4.202 72.907 70.003 1.00 26.67 ? ND2 ASN A 85 1 -ATOM 631 N N . PRO A 1 86 . -5.850 73.044 65.055 1.00 10.84 ? N PRO A 86 1 -ATOM 632 C CA . PRO A 1 86 . -6.830 73.496 64.089 1.00 12.43 ? CA PRO A 86 1 -ATOM 633 C C . PRO A 1 86 . -7.317 74.875 64.470 1.00 14.14 ? C PRO A 86 1 -ATOM 634 O O . PRO A 1 86 . -7.778 75.053 65.585 1.00 23.78 ? O PRO A 86 1 -ATOM 635 C CB . PRO A 1 86 . -7.953 72.437 64.107 1.00 8.3 ? CB PRO A 86 1 -ATOM 636 C CG . PRO A 1 86 . -7.633 71.487 65.260 1.00 7.62 ? CG PRO A 86 1 -ATOM 637 C CD . PRO A 1 86 . -6.166 71.751 65.639 1.00 12.16 ? CD PRO A 86 1 -ATOM 638 N N . ASN A 1 87 . -7.184 75.827 63.546 1.00 13.45 ? N ASN A 87 1 -ATOM 639 C CA . ASN A 1 87 . -7.612 77.184 63.822 1.00 11.93 ? CA ASN A 87 1 -ATOM 640 C C . ASN A 1 87 . -8.935 77.473 63.171 1.00 14.55 ? C ASN A 87 1 -ATOM 641 O O . ASN A 1 87 . -9.237 78.627 62.907 1.00 18.89 ? O ASN A 87 1 -ATOM 642 C CB . ASN A 1 87 . -6.571 78.188 63.300 1.00 14.24 ? CB ASN A 87 1 -ATOM 643 C CG . ASN A 1 87 . -6.456 78.117 61.801 1.00 16.61 ? CG ASN A 87 1 -ATOM 644 O OD1 . ASN A 1 87 . -6.933 77.187 61.179 1.00 21.68 ? OD1 ASN A 87 1 -ATOM 645 N ND2 . ASN A 1 87 . -5.786 79.091 61.213 1.00 23.1 ? ND2 ASN A 87 1 -ATOM 646 N N . ARG A 1 88 . -9.727 76.438 62.877 1.00 17.04 ? N ARG A 88 1 -ATOM 647 C CA . ARG A 1 88 . -11.026 76.615 62.228 1.00 16.41 ? CA ARG A 88 1 -ATOM 648 C C . ARG A 1 88 . -11.900 75.523 62.793 1.00 15.6 ? C ARG A 88 1 -ATOM 649 O O . ARG A 1 88 . -11.425 74.616 63.461 1.00 19.57 ? O ARG A 88 1 -ATOM 650 C CB . ARG A 1 88 . -10.897 76.429 60.692 1.00 18.43 ? CB ARG A 88 1 -ATOM 651 C CG . ARG A 1 88 . -10.398 77.678 59.953 1.00 18.59 ? CG ARG A 88 1 -ATOM 652 C CD . ARG A 1 88 . -11.553 78.663 59.658 1.00 25.23 ? CD ARG A 88 1 -ATOM 653 N NE . ARG A 1 88 . -11.109 79.955 59.127 1.00 30.01 ? NE ARG A 88 1 -ATOM 654 C CZ . ARG A 1 88 . -10.173 80.693 59.756 1.00 28.05 ? CZ ARG A 88 1 -ATOM 655 N N . GLU A 1 89 . -13.204 75.606 62.516 1.00 14.4 ? N GLU A 89 1 -ATOM 656 C CA . GLU A 1 89 . -14.088 74.573 63.058 1.00 14.71 ? CA GLU A 89 1 -ATOM 657 C C . GLU A 1 89 . -13.716 73.272 62.445 1.00 12.51 ? C GLU A 89 1 -ATOM 658 O O . GLU A 1 89 . -13.467 73.181 61.256 1.00 15.65 ? O GLU A 89 1 -ATOM 659 C CB . GLU A 1 89 . -15.585 74.844 62.744 1.00 19.87 ? CB GLU A 89 1 -ATOM 660 C CG . GLU A 1 89 . -16.649 73.877 63.346 1.00 26.55 ? CG GLU A 89 1 -ATOM 661 N N . MET A 1 90 . -13.654 72.264 63.280 1.00 12.4 ? N MET A 90 1 -ATOM 662 C CA . MET A 1 90 . -13.329 70.979 62.735 1.00 12.4 ? CA MET A 90 1 -ATOM 663 C C . MET A 1 90 . -14.657 70.444 62.245 1.00 13.29 ? C MET A 90 1 -ATOM 664 O O . MET A 1 90 . -15.685 70.875 62.764 1.00 11.14 ? O MET A 90 1 -ATOM 665 C CB . MET A 1 90 . -12.753 70.062 63.817 1.00 13.61 ? CB MET A 90 1 -ATOM 666 C CG . MET A 1 90 . -11.597 70.693 64.597 1.00 13.67 ? CG MET A 90 1 -ATOM 667 S SD . MET A 1 90 . -10.606 69.351 65.317 1.00 19.43 ? SD MET A 90 1 -ATOM 668 C CE . MET A 1 90 . -11.676 68.792 66.655 1.00 20.51 ? CE MET A 90 1 -ATOM 669 N N . SER A 1 91 . -14.617 69.531 61.273 1.00 13.06 ? N SER A 91 1 -ATOM 670 C CA . SER A 1 91 . -15.811 68.921 60.732 1.00 14.99 ? CA SER A 91 1 -ATOM 671 C C . SER A 1 91 . -15.326 67.704 59.970 1.00 15.19 ? C SER A 91 1 -ATOM 672 O O . SER A 1 91 . -14.161 67.604 59.592 1.00 14.69 ? O SER A 91 1 -ATOM 673 C CB . SER A 1 91 . -16.520 69.899 59.763 1.00 18.9 ? CB SER A 91 1 -ATOM 674 O OG . SER A 1 91 . -17.801 69.436 59.296 1.00 25.45 ? OG SER A 91 1 -ATOM 675 N N . GLU A 1 92 . -16.250 66.746 59.745 1.00 13.93 ? N GLU A 92 1 -ATOM 676 C CA . GLU A 1 92 . -15.851 65.579 58.959 1.00 13.9 ? CA GLU A 92 1 -ATOM 677 C C . GLU A 1 92 . -15.772 66.009 57.501 1.00 18.57 ? C GLU A 92 1 -ATOM 678 O O . GLU A 1 92 . -15.003 65.503 56.698 1.00 20.05 ? O GLU A 92 1 -ATOM 679 C CB . GLU A 1 92 . -16.781 64.389 59.120 1.00 10.43 ? CB GLU A 92 1 -ATOM 680 C CG . GLU A 1 92 . -16.496 63.628 60.415 1.00 12.39 ? CG GLU A 92 1 -ATOM 681 C CD . GLU A 1 92 . -17.146 62.256 60.346 1.00 13.13 ? CD GLU A 92 1 -ATOM 682 O OE1 . GLU A 1 92 . -18.335 62.159 60.636 1.00 10.48 ? OE1 GLU A 92 1 -ATOM 683 O OE2 . GLU A 1 92 . -16.460 61.294 59.986 1.00 16.23 ? OE2 GLU A 92 1 -ATOM 684 N N . ASP A 1 93 . -16.625 66.984 57.189 1.00 17.71 ? N ASP A 93 1 -ATOM 685 C CA . ASP A 1 93 . -16.665 67.591 55.878 1.00 17.64 ? CA ASP A 93 1 -ATOM 686 C C . ASP A 1 93 . -15.462 68.539 55.844 1.00 19.89 ? C ASP A 93 1 -ATOM 687 O O . ASP A 1 93 . -15.565 69.715 56.197 1.00 20.41 ? O ASP A 93 1 -ATOM 688 C CB . ASP A 1 93 . -17.978 68.384 55.757 1.00 17.65 ? CB ASP A 93 1 -ATOM 689 C CG . ASP A 1 93 . -18.136 69.104 54.433 1.00 23.35 ? CG ASP A 93 1 -ATOM 690 O OD1 . ASP A 1 93 . -17.123 69.476 53.846 1.00 22 ? OD1 ASP A 93 1 -ATOM 691 O OD2 . ASP A 1 93 . -19.273 69.294 53.993 1.00 26.9 ? OD2 ASP A 93 1 -ATOM 692 N N . CYS A 1 94 . -14.311 68.010 55.427 1.00 18.5 ? N CYS A 94 1 -ATOM 693 C CA . CYS A 1 94 . -13.140 68.872 55.416 1.00 18.58 ? CA CYS A 94 1 -ATOM 694 C C . CYS A 1 94 . -12.241 68.687 54.217 1.00 20.84 ? C CYS A 94 1 -ATOM 695 O O . CYS A 1 94 . -11.129 69.207 54.206 1.00 24.77 ? O CYS A 94 1 -ATOM 696 C CB . CYS A 1 94 . -12.313 68.570 56.663 1.00 15.68 ? CB CYS A 94 1 -ATOM 697 S SG . CYS A 1 94 . -11.885 66.805 56.660 1.00 8.01 ? SG CYS A 94 1 -ATOM 698 N N . LEU A 1 95 . -12.699 67.928 53.211 1.00 17.6 ? N LEU A 95 1 -ATOM 699 C CA . LEU A 1 95 . -11.859 67.746 52.024 1.00 15.22 ? CA LEU A 95 1 -ATOM 700 C C . LEU A 1 95 . -12.026 68.932 51.043 1.00 13.32 ? C LEU A 95 1 -ATOM 701 O O . LEU A 1 95 . -12.969 68.980 50.253 1.00 14.93 ? O LEU A 95 1 -ATOM 702 C CB . LEU A 1 95 . -12.223 66.423 51.337 1.00 11.27 ? CB LEU A 95 1 -ATOM 703 C CG . LEU A 1 95 . -11.924 65.184 52.183 1.00 9.22 ? CG LEU A 95 1 -ATOM 704 C CD1 . LEU A 1 95 . -12.398 63.918 51.459 1.00 12.24 ? CD1 LEU A 95 1 -ATOM 705 C CD2 . LEU A 1 95 . -10.420 65.086 52.473 1.00 9.44 ? CD2 LEU A 95 1 -ATOM 706 N N . TYR A 1 96 . -11.101 69.895 51.130 1.00 9.45 ? N TYR A 96 1 -ATOM 707 C CA . TYR A 1 96 . -11.074 71.093 50.284 1.00 10.39 ? CA TYR A 96 1 -ATOM 708 C C . TYR A 1 96 . -9.627 71.405 50.015 1.00 9.24 ? C TYR A 96 1 -ATOM 709 O O . TYR A 1 96 . -8.755 70.757 50.572 1.00 11.56 ? O TYR A 96 1 -ATOM 710 C CB . TYR A 1 96 . -11.648 72.315 51.011 1.00 6.27 ? CB TYR A 96 1 -ATOM 711 C CG . TYR A 1 96 . -13.088 72.116 51.361 1.00 12.78 ? CG TYR A 96 1 -ATOM 712 C CD1 . TYR A 1 96 . -13.465 71.437 52.529 1.00 17.73 ? CD1 TYR A 96 1 -ATOM 713 C CD2 . TYR A 1 96 . -14.069 72.620 50.511 1.00 17.02 ? CD2 TYR A 96 1 -ATOM 714 C CE1 . TYR A 1 96 . -14.825 71.256 52.837 1.00 24.42 ? CE1 TYR A 96 1 -ATOM 715 C CE2 . TYR A 1 96 . -15.421 72.460 50.809 1.00 23.71 ? CE2 TYR A 96 1 -ATOM 716 C CZ . TYR A 1 96 . -15.807 71.768 51.968 1.00 25.91 ? CZ TYR A 96 1 -ATOM 717 O OH . TYR A 1 96 . -17.150 71.591 52.241 1.00 30.42 ? OH TYR A 96 1 -ATOM 718 N N . LEU A 1 97 . -9.366 72.384 49.156 1.00 7.65 ? N LEU A 97 1 -ATOM 719 C CA . LEU A 1 97 . -7.987 72.753 48.892 1.00 7.91 ? CA LEU A 97 1 -ATOM 720 C C . LEU A 1 97 . -7.950 74.249 48.762 1.00 9.01 ? C LEU A 97 1 -ATOM 721 O O . LEU A 1 97 . -8.992 74.870 48.596 1.00 10.81 ? O LEU A 97 1 -ATOM 722 C CB . LEU A 1 97 . -7.373 71.963 47.728 1.00 9.23 ? CB LEU A 97 1 -ATOM 723 C CG . LEU A 1 97 . -8.126 71.943 46.392 1.00 6.13 ? CG LEU A 97 1 -ATOM 724 C CD1 . LEU A 1 97 . -8.029 73.281 45.657 1.00 8.91 ? CD1 LEU A 97 1 -ATOM 725 C CD2 . LEU A 1 97 . -7.571 70.818 45.512 1.00 3.47 ? CD2 LEU A 97 1 -ATOM 726 N N . ASN A 1 98 . -6.752 74.834 48.859 1.00 11.33 ? N ASN A 98 1 -ATOM 727 C CA . ASN A 1 98 . -6.601 76.300 48.768 1.00 13.7 ? CA ASN A 98 1 -ATOM 728 C C . ASN A 1 98 . -5.518 76.564 47.749 1.00 16.15 ? C ASN A 98 1 -ATOM 729 O O . ASN A 1 98 . -4.615 75.746 47.647 1.00 20.18 ? O ASN A 98 1 -ATOM 730 C CB . ASN A 1 98 . -6.149 76.913 50.122 1.00 17.58 ? CB ASN A 98 1 -ATOM 731 C CG . ASN A 1 98 . -6.964 76.389 51.307 1.00 18.01 ? CG ASN A 98 1 -ATOM 732 O OD1 . ASN A 1 98 . -8.144 76.679 51.485 1.00 12.42 ? OD1 ASN A 98 1 -ATOM 733 N ND2 . ASN A 1 98 . -6.307 75.544 52.103 1.00 16.23 ? ND2 ASN A 98 1 -ATOM 734 N N . ILE A 1 99 . -5.592 77.688 47.031 1.00 18.79 ? N ILE A 99 1 -ATOM 735 C CA . ILE A 1 99 . -4.629 78.040 45.997 1.00 15.69 ? CA ILE A 99 1 -ATOM 736 C C . ILE A 1 99 . -4.294 79.528 46.085 1.00 12.75 ? C ILE A 99 1 -ATOM 737 O O . ILE A 1 99 . -5.196 80.364 46.115 1.00 12.25 ? O ILE A 99 1 -ATOM 738 C CB . ILE A 1 99 . -5.339 77.820 44.625 1.00 21.08 ? CB ILE A 99 1 -ATOM 739 C CG1 . ILE A 1 99 . -6.118 76.476 44.526 1.00 22.08 ? CG1 ILE A 99 1 -ATOM 740 C CG2 . ILE A 1 99 . -4.408 78.076 43.422 1.00 20.15 ? CG2 ILE A 99 1 -ATOM 741 C CD1 . ILE A 1 99 . -6.870 76.280 43.201 1.00 26.01 ? CD1 ILE A 99 1 -ATOM 742 N N . TRP A 1 100 . -3.013 79.861 46.120 1.00 10.55 ? N TRP A 100 1 -ATOM 743 C CA . TRP A 1 100 . -2.637 81.271 46.144 1.00 17.45 ? CA TRP A 100 1 -ATOM 744 C C . TRP A 1 100 . -2.096 81.427 44.763 1.00 23.25 ? C TRP A 100 1 -ATOM 745 O O . TRP A 1 100 . -1.264 80.608 44.366 1.00 28.28 ? O TRP A 100 1 -ATOM 746 C CB . TRP A 1 100 . -1.524 81.610 47.157 1.00 18.88 ? CB TRP A 100 1 -ATOM 747 C CG . TRP A 1 100 . -2.133 81.683 48.538 1.00 18.39 ? CG TRP A 100 1 -ATOM 748 C CD1 . TRP A 1 100 . -2.729 82.828 49.114 1.00 18.87 ? CD1 TRP A 100 1 -ATOM 749 C CD2 . TRP A 1 100 . -2.332 80.619 49.423 1.00 16.27 ? CD2 TRP A 100 1 -ATOM 750 N NE1 . TRP A 1 100 . -3.304 82.509 50.294 1.00 20.89 ? NE1 TRP A 100 1 -ATOM 751 C CE2 . TRP A 1 100 . -3.111 81.179 50.541 1.00 14.55 ? CE2 TRP A 100 1 -ATOM 752 C CE3 . TRP A 1 100 . -2.010 79.260 49.404 1.00 17 ? CE3 TRP A 100 1 -ATOM 753 C CZ2 . TRP A 1 100 . -3.551 80.332 51.550 1.00 15.08 ? CZ2 TRP A 100 1 -ATOM 754 C CZ3 . TRP A 1 100 . -2.458 78.443 50.445 1.00 16.68 ? CZ3 TRP A 100 1 -ATOM 755 C CH2 . TRP A 1 100 . -3.225 78.966 51.500 1.00 20.05 ? CH2 TRP A 100 1 -ATOM 756 N N . VAL A 1 101 . -2.574 82.443 44.034 1.00 25.62 ? N VAL A 101 1 -ATOM 757 C CA . VAL A 1 101 . -2.140 82.667 42.646 1.00 23.97 ? CA VAL A 101 1 -ATOM 758 C C . VAL A 1 101 . -1.583 84.090 42.563 1.00 24.09 ? C VAL A 101 1 -ATOM 759 O O . VAL A 1 101 . -2.116 84.979 43.228 1.00 26.95 ? O VAL A 101 1 -ATOM 760 C CB . VAL A 1 101 . -3.342 82.445 41.686 1.00 21.2 ? CB VAL A 101 1 -ATOM 761 C CG1 . VAL A 1 101 . -2.914 82.450 40.222 1.00 22.08 ? CG1 VAL A 101 1 -ATOM 762 C CG2 . VAL A 1 101 . -4.116 81.135 41.970 1.00 21.41 ? CG2 VAL A 101 1 -ATOM 763 N N . PRO A 1 102 . -0.491 84.299 41.786 1.00 21.15 ? N PRO A 102 1 -ATOM 764 C CA . PRO A 1 102 . -0.021 85.659 41.549 1.00 21.79 ? CA PRO A 102 1 -ATOM 765 C C . PRO A 1 102 . -1.007 86.572 40.836 1.00 27.45 ? C PRO A 102 1 -ATOM 766 O O . PRO A 1 102 . -2.032 86.168 40.293 1.00 29.87 ? O PRO A 102 1 -ATOM 767 C CB . PRO A 1 102 . 1.267 85.476 40.748 1.00 18.71 ? CB PRO A 102 1 -ATOM 768 C CG . PRO A 1 102 . 1.739 84.039 41.042 1.00 19.23 ? CG PRO A 102 1 -ATOM 769 C CD . PRO A 1 102 . 0.455 83.261 41.369 1.00 21.1 ? CD PRO A 102 1 -ATOM 770 N N . SER A 1 103 . -0.639 87.853 40.861 1.00 31.89 ? N SER A 103 1 -ATOM 771 C CA . SER A 1 103 . -1.418 88.895 40.214 1.00 36.65 ? CA SER A 103 1 -ATOM 772 C C . SER A 1 103 . -0.335 89.673 39.495 1.00 40.27 ? C SER A 103 1 -ATOM 773 O O . SER A 1 103 . 0.624 90.067 40.149 1.00 45.43 ? O SER A 103 1 -ATOM 774 C CB . SER A 1 103 . -2.139 89.825 41.201 1.00 33.6 ? CB SER A 103 1 -ATOM 775 O OG . SER A 1 103 . -2.995 90.716 40.485 1.00 36.95 ? OG SER A 103 1 -ATOM 776 N N . PRO A 1 104 . -0.464 89.891 38.178 1.00 39.36 ? N PRO A 104 1 -ATOM 777 C CA . PRO A 1 104 . -1.536 89.364 37.338 1.00 34.51 ? CA PRO A 104 1 -ATOM 778 C C . PRO A 1 104 . -1.392 87.856 37.227 1.00 29.79 ? C PRO A 104 1 -ATOM 779 O O . PRO A 1 104 . -0.305 87.316 37.385 1.00 27.4 ? O PRO A 104 1 -ATOM 780 C CB . PRO A 1 104 . -1.295 90.051 35.988 1.00 39.4 ? CB PRO A 104 1 -ATOM 781 C CG . PRO A 1 104 . 0.176 90.518 35.995 1.00 40.72 ? CG PRO A 104 1 -ATOM 782 C CD . PRO A 1 104 . 0.561 90.646 37.471 1.00 40.1 ? CD PRO A 104 1 -ATOM 783 N N . ARG A 1 105 . -2.532 87.204 36.976 1.00 25.21 ? N ARG A 105 1 -ATOM 784 C CA . ARG A 1 105 . -2.520 85.753 36.840 1.00 25.56 ? CA ARG A 105 1 -ATOM 785 C C . ARG A 1 105 . -1.487 85.352 35.791 1.00 28.23 ? C ARG A 105 1 -ATOM 786 O O . ARG A 1 105 . -1.502 85.940 34.720 1.00 31.77 ? O ARG A 105 1 -ATOM 787 C CB . ARG A 1 105 . -3.902 85.296 36.371 1.00 23.36 ? CB ARG A 105 1 -ATOM 788 C CG . ARG A 1 105 . -4.102 83.777 36.413 1.00 25.28 ? CG ARG A 105 1 -ATOM 789 C CD . ARG A 1 105 . -5.452 83.331 35.826 1.00 33.93 ? CD ARG A 105 1 -ATOM 790 N NE . ARG A 1 105 . -6.571 84.129 36.333 1.00 38.86 ? NE ARG A 105 1 -ATOM 791 C CZ . ARG A 1 105 . -7.844 83.856 35.996 1.00 40.85 ? CZ ARG A 105 1 -ATOM 792 N NH1 . ARG A 1 105 . -8.146 82.852 35.176 1.00 45.02 ? NH1 ARG A 105 1 -ATOM 793 N NH2 . ARG A 1 105 . -8.831 84.600 36.485 1.00 41.71 ? NH2 ARG A 105 1 -ATOM 794 N N . PRO A 1 106 . -0.605 84.386 36.088 1.00 30.08 ? N PRO A 106 1 -ATOM 795 C CA . PRO A 1 106 . 0.352 83.921 35.084 1.00 30.73 ? CA PRO A 106 1 -ATOM 796 C C . PRO A 1 106 . -0.389 83.037 34.076 1.00 32.25 ? C PRO A 106 1 -ATOM 797 O O . PRO A 1 106 . -1.511 82.591 34.312 1.00 32.38 ? O PRO A 106 1 -ATOM 798 C CB . PRO A 1 106 . 1.400 83.140 35.902 1.00 30.25 ? CB PRO A 106 1 -ATOM 799 C CG . PRO A 1 106 . 0.702 82.765 37.223 1.00 31.36 ? CG PRO A 106 1 -ATOM 800 C CD . PRO A 1 106 . -0.475 83.744 37.389 1.00 29.44 ? CD PRO A 106 1 -ATOM 801 N N . LYS A 1 107 . 0.301 82.769 32.946 1.00 30.72 ? N LYS A 107 1 -ATOM 802 C CA . LYS A 1 107 . -0.264 81.958 31.873 1.00 27.34 ? CA LYS A 107 1 -ATOM 803 C C . LYS A 1 107 . -0.089 80.476 32.151 1.00 26.12 ? C LYS A 107 1 -ATOM 804 O O . LYS A 1 107 . -1.005 79.674 32.119 1.00 25.2 ? O LYS A 107 1 -ATOM 805 C CB . LYS A 1 107 . 0.287 82.423 30.530 1.00 28.41 ? CB LYS A 107 1 -ATOM 806 N N . SER A 1 108 . 1.144 80.134 32.430 1.00 25.79 ? N SER A 108 1 -ATOM 807 C CA . SER A 1 108 . 1.465 78.762 32.780 1.00 29.14 ? CA SER A 108 1 -ATOM 808 C C . SER A 1 108 . 2.701 78.929 33.610 1.00 30.57 ? C SER A 108 1 -ATOM 809 O O . SER A 1 108 . 3.641 79.517 33.095 1.00 30.49 ? O SER A 108 1 -ATOM 810 C CB . SER A 1 108 . 1.841 77.916 31.571 1.00 28.68 ? CB SER A 108 1 -ATOM 811 O OG . SER A 1 108 . 0.699 77.249 31.060 1.00 37.53 ? OG SER A 108 1 -ATOM 812 N N . THR A 1 109 . 2.696 78.444 34.861 1.00 29.7 ? N THR A 109 1 -ATOM 813 C CA . THR A 1 109 . 3.864 78.570 35.721 1.00 25.6 ? CA THR A 109 1 -ATOM 814 C C . THR A 1 109 . 3.887 77.365 36.631 1.00 25.96 ? C THR A 109 1 -ATOM 815 O O . THR A 1 109 . 2.918 76.606 36.626 1.00 28.79 ? O THR A 109 1 -ATOM 816 C CB . THR A 1 109 . 3.839 79.919 36.435 1.00 22.51 ? CB THR A 109 1 -ATOM 817 O OG1 . THR A 1 109 . 5.133 80.163 36.970 1.00 30.15 ? OG1 THR A 109 1 -ATOM 818 C CG2 . THR A 1 109 . 2.746 80.107 37.496 1.00 20.47 ? CG2 THR A 109 1 -ATOM 819 N N . THR A 1 110 . 4.999 77.202 37.372 1.00 20.3 ? N THR A 110 1 -ATOM 820 C CA . THR A 1 110 . 5.191 76.072 38.277 1.00 16.91 ? CA THR A 110 1 -ATOM 821 C C . THR A 1 110 . 4.161 76.062 39.382 1.00 16.26 ? C THR A 110 1 -ATOM 822 O O . THR A 1 110 . 3.648 77.099 39.804 1.00 16.76 ? O THR A 110 1 -ATOM 823 C CB . THR A 1 110 . 6.597 76.167 38.862 1.00 17.56 ? CB THR A 110 1 -ATOM 824 O OG1 . THR A 1 110 . 7.482 76.435 37.782 1.00 19.32 ? OG1 THR A 110 1 -ATOM 825 C CG2 . THR A 1 110 . 7.093 74.903 39.562 1.00 17.74 ? CG2 THR A 110 1 -ATOM 826 N N . VAL A 1 111 . 3.905 74.847 39.850 1.00 12.04 ? N VAL A 111 1 -ATOM 827 C CA . VAL A 1 111 . 2.933 74.650 40.884 1.00 12.71 ? CA VAL A 111 1 -ATOM 828 C C . VAL A 1 111 . 3.619 73.910 42.015 1.00 13.45 ? C VAL A 111 1 -ATOM 829 O O . VAL A 1 111 . 4.440 73.036 41.749 1.00 8.98 ? O VAL A 111 1 -ATOM 830 C CB . VAL A 1 111 . 1.822 73.790 40.267 1.00 10.48 ? CB VAL A 111 1 -ATOM 831 C CG1 . VAL A 1 111 . 0.650 73.518 41.209 1.00 17.35 ? CG1 VAL A 111 1 -ATOM 832 C CG2 . VAL A 1 111 . 1.294 74.387 38.961 1.00 10.89 ? CG2 VAL A 111 1 -ATOM 833 N N . MET A 1 112 . 3.268 74.270 43.272 1.00 13.92 ? N MET A 112 1 -ATOM 834 C CA . MET A 1 112 . 3.810 73.625 44.465 1.00 8.38 ? CA MET A 112 1 -ATOM 835 C C . MET A 1 112 . 2.588 73.253 45.273 1.00 10.42 ? C MET A 112 1 -ATOM 836 O O . MET A 1 112 . 1.780 74.125 45.580 1.00 12.73 ? O MET A 112 1 -ATOM 837 C CB . MET A 1 112 . 4.730 74.574 45.226 1.00 2.88 ? CB MET A 112 1 -ATOM 838 C CG . MET A 1 112 . 5.907 75.036 44.352 1.00 2 ? CG MET A 112 1 -ATOM 839 S SD . MET A 1 112 . 7.230 75.786 45.353 1.00 8.8 ? SD MET A 112 1 -ATOM 840 C CE . MET A 1 112 . 7.892 74.272 46.113 1.00 5.32 ? CE MET A 112 1 -ATOM 841 N N . VAL A 1 113 . 2.431 71.954 45.563 1.00 9.72 ? N VAL A 113 1 -ATOM 842 C CA . VAL A 1 113 . 1.284 71.466 46.333 1.00 9.94 ? CA VAL A 113 1 -ATOM 843 C C . VAL A 1 113 . 1.840 71.047 47.683 1.00 12.79 ? C VAL A 113 1 -ATOM 844 O O . VAL A 1 113 . 2.714 70.192 47.747 1.00 17.85 ? O VAL A 113 1 -ATOM 845 C CB . VAL A 1 113 . 0.700 70.192 45.662 1.00 8.48 ? CB VAL A 113 1 -ATOM 846 C CG1 . VAL A 1 113 . -0.476 69.582 46.422 1.00 5.76 ? CG1 VAL A 113 1 -ATOM 847 C CG2 . VAL A 1 113 . 0.339 70.337 44.185 1.00 5.88 ? CG2 VAL A 113 1 -ATOM 848 N N . TRP A 1 114 . 1.310 71.613 48.756 1.00 13.62 ? N TRP A 114 1 -ATOM 849 C CA . TRP A 1 114 . 1.767 71.319 50.113 1.00 13.84 ? CA TRP A 114 1 -ATOM 850 C C . TRP A 1 114 . 0.871 70.289 50.789 1.00 13.2 ? C TRP A 114 1 -ATOM 851 O O . TRP A 1 114 . -0.340 70.506 50.888 1.00 16.95 ? O TRP A 114 1 -ATOM 852 C CB . TRP A 1 114 . 1.693 72.653 50.908 1.00 15.62 ? CB TRP A 114 1 -ATOM 853 C CG . TRP A 1 114 . 2.009 72.493 52.386 1.00 16.04 ? CG TRP A 114 1 -ATOM 854 C CD1 . TRP A 1 114 . 1.093 72.608 53.465 1.00 16.62 ? CD1 TRP A 114 1 -ATOM 855 C CD2 . TRP A 1 114 . 3.257 72.186 52.940 1.00 12.64 ? CD2 TRP A 114 1 -ATOM 856 N NE1 . TRP A 1 114 . 1.724 72.376 54.643 1.00 14.39 ? NE1 TRP A 114 1 -ATOM 857 C CE2 . TRP A 1 114 . 3.044 72.106 54.395 1.00 10.99 ? CE2 TRP A 114 1 -ATOM 858 C CE3 . TRP A 1 114 . 4.520 71.943 52.408 1.00 12.85 ? CE3 TRP A 114 1 -ATOM 859 C CZ2 . TRP A 1 114 . 4.130 71.810 55.211 1.00 10.13 ? CZ2 TRP A 114 1 -ATOM 860 C CZ3 . TRP A 1 114 . 5.589 71.640 53.260 1.00 9.96 ? CZ3 TRP A 114 1 -ATOM 861 C CH2 . TRP A 1 114 . 5.392 71.573 54.643 1.00 9.36 ? CH2 TRP A 114 1 -ATOM 862 N N . ILE A 1 115 . 1.487 69.200 51.262 1.00 12.94 ? N ILE A 115 1 -ATOM 863 C CA . ILE A 1 115 . 0.812 68.126 51.991 1.00 11.91 ? CA ILE A 115 1 -ATOM 864 C C . ILE A 1 115 . 1.353 68.264 53.426 1.00 17.84 ? C ILE A 115 1 -ATOM 865 O O . ILE A 1 115 . 2.548 68.034 53.654 1.00 21.48 ? O ILE A 115 1 -ATOM 866 C CB . ILE A 1 115 . 1.185 66.764 51.380 1.00 8.5 ? CB ILE A 115 1 -ATOM 867 C CG1 . ILE A 1 115 . 1.022 66.806 49.833 1.00 6.95 ? CG1 ILE A 115 1 -ATOM 868 C CG2 . ILE A 1 115 . 0.438 65.597 52.059 1.00 2.5 ? CG2 ILE A 115 1 -ATOM 869 C CD1 . ILE A 1 115 . 1.134 65.447 49.121 1.00 5.12 ? CD1 ILE A 115 1 -ATOM 870 N N . TYR A 1 116 . 0.453 68.652 54.372 1.00 16.62 ? N TYR A 116 1 -ATOM 871 C CA . TYR A 1 116 . 0.810 68.865 55.784 1.00 11.94 ? CA TYR A 116 1 -ATOM 872 C C . TYR A 1 116 . 1.152 67.614 56.581 1.00 14.71 ? C TYR A 116 1 -ATOM 873 O O . TYR A 1 116 . 0.761 66.489 56.293 1.00 16.59 ? O TYR A 116 1 -ATOM 874 C CB . TYR A 1 116 . -0.278 69.648 56.545 1.00 9.8 ? CB TYR A 116 1 -ATOM 875 C CG . TYR A 1 116 . -1.647 69.008 56.579 1.00 8.1 ? CG TYR A 116 1 -ATOM 876 C CD1 . TYR A 1 116 . -1.881 67.740 57.158 1.00 9.71 ? CD1 TYR A 116 1 -ATOM 877 C CD2 . TYR A 1 116 . -2.725 69.704 56.022 1.00 7.13 ? CD2 TYR A 116 1 -ATOM 878 C CE1 . TYR A 1 116 . -3.169 67.182 57.164 1.00 6.62 ? CE1 TYR A 116 1 -ATOM 879 C CE2 . TYR A 1 116 . -4.006 69.153 56.019 1.00 3.94 ? CE2 TYR A 116 1 -ATOM 880 C CZ . TYR A 1 116 . -4.225 67.898 56.586 1.00 4.37 ? CZ TYR A 116 1 -ATOM 881 O OH . TYR A 1 116 . -5.500 67.391 56.594 1.00 10.79 ? OH TYR A 116 1 -ATOM 882 N N . GLY A 1 117 . 1.886 67.862 57.656 1.00 16.91 ? N GLY A 117 1 -ATOM 883 C CA . GLY A 1 117 . 2.315 66.812 58.550 1.00 14.98 ? CA GLY A 117 1 -ATOM 884 C C . GLY A 1 117 . 1.378 66.772 59.725 1.00 16.3 ? C GLY A 117 1 -ATOM 885 O O . GLY A 1 117 . 0.361 67.469 59.779 1.00 13.8 ? O GLY A 117 1 -ATOM 886 N N . GLY A 1 118 . 1.802 65.935 60.691 1.00 17.02 ? N GLY A 118 1 -ATOM 887 C CA . GLY A 1 118 . 1.026 65.735 61.919 1.00 11.44 ? CA GLY A 118 1 -ATOM 888 C C . GLY A 1 118 . 0.969 64.274 62.377 1.00 8.72 ? C GLY A 118 1 -ATOM 889 O O . GLY A 1 118 . -0.008 63.845 62.978 1.00 5.62 ? O GLY A 118 1 -ATOM 890 N N . GLY A 1 119 . 2.020 63.492 62.055 1.00 2 ? N GLY A 119 1 -ATOM 891 C CA . GLY A 1 119 . 1.985 62.085 62.487 1.00 5.94 ? CA GLY A 119 1 -ATOM 892 C C . GLY A 1 119 . 0.749 61.270 62.079 1.00 8.79 ? C GLY A 119 1 -ATOM 893 O O . GLY A 1 119 . 0.359 60.285 62.688 1.00 13.5 ? O GLY A 119 1 -ATOM 894 N N . PHE A 1 120 . 0.105 61.718 61.013 1.00 11.22 ? N PHE A 120 1 -ATOM 895 C CA . PHE A 1 120 . -1.093 61.067 60.490 1.00 12.14 ? CA PHE A 120 1 -ATOM 896 C C . PHE A 1 120 . -2.344 61.235 61.335 1.00 15.23 ? C PHE A 120 1 -ATOM 897 O O . PHE A 1 120 . -3.405 60.852 60.864 1.00 15.16 ? O PHE A 120 1 -ATOM 898 C CB . PHE A 1 120 . -0.898 59.592 60.086 1.00 11.92 ? CB PHE A 120 1 -ATOM 899 C CG . PHE A 1 120 . -0.021 59.437 58.865 1.00 11.41 ? CG PHE A 120 1 -ATOM 900 C CD1 . PHE A 1 120 . -0.517 59.828 57.608 1.00 11.7 ? CD1 PHE A 120 1 -ATOM 901 C CD2 . PHE A 1 120 . 1.272 58.896 58.957 1.00 12.73 ? CD2 PHE A 120 1 -ATOM 902 C CE1 . PHE A 1 120 . 0.257 59.674 56.456 1.00 11.52 ? CE1 PHE A 120 1 -ATOM 903 C CE2 . PHE A 1 120 . 2.049 58.734 57.798 1.00 14.44 ? CE2 PHE A 120 1 -ATOM 904 C CZ . PHE A 1 120 . 1.542 59.125 56.554 1.00 14.34 ? CZ PHE A 120 1 -ATOM 905 N N . TYR A 1 121 . -2.252 61.817 62.554 1.00 19.62 ? N TYR A 121 1 -ATOM 906 C CA . TYR A 1 121 . -3.430 62.023 63.438 1.00 13.61 ? CA TYR A 121 1 -ATOM 907 C C . TYR A 1 121 . -3.834 63.487 63.533 1.00 12.9 ? C TYR A 121 1 -ATOM 908 O O . TYR A 1 121 . -4.836 63.806 64.170 1.00 15.56 ? O TYR A 121 1 -ATOM 909 C CB . TYR A 1 121 . -3.222 61.517 64.891 1.00 11.91 ? CB TYR A 121 1 -ATOM 910 C CG . TYR A 1 121 . -2.162 62.299 65.637 1.00 11.99 ? CG TYR A 121 1 -ATOM 911 C CD1 . TYR A 1 121 . -0.821 61.913 65.545 1.00 12.64 ? CD1 TYR A 121 1 -ATOM 912 C CD2 . TYR A 1 121 . -2.498 63.446 66.378 1.00 8.96 ? CD2 TYR A 121 1 -ATOM 913 C CE1 . TYR A 1 121 . 0.169 62.668 66.173 1.00 16.39 ? CE1 TYR A 121 1 -ATOM 914 C CE2 . TYR A 1 121 . -1.511 64.207 67.010 1.00 10.84 ? CE2 TYR A 121 1 -ATOM 915 C CZ . TYR A 1 121 . -0.169 63.811 66.912 1.00 16.22 ? CZ TYR A 121 1 -ATOM 916 O OH . TYR A 1 121 . 0.852 64.505 67.542 1.00 20.04 ? OH TYR A 121 1 -ATOM 917 N N . SER A 1 122 . -3.043 64.388 62.951 1.00 12.66 ? N SER A 122 1 -ATOM 918 C CA . SER A 1 122 . -3.433 65.783 63.028 1.00 13.78 ? CA SER A 122 1 -ATOM 919 C C . SER A 1 122 . -2.996 66.469 61.746 1.00 15.52 ? C SER A 122 1 -ATOM 920 O O . SER A 1 122 . -2.343 65.840 60.917 1.00 19 ? O SER A 122 1 -ATOM 921 C CB . SER A 1 122 . -2.833 66.390 64.309 1.00 15.76 ? CB SER A 122 1 -ATOM 922 O OG . SER A 1 122 . -1.385 66.399 64.278 1.00 15.94 ? OG SER A 122 1 -ATOM 923 N N . GLY A 1 123 . -3.381 67.749 61.621 1.00 14.94 ? N GLY A 123 1 -ATOM 924 C CA . GLY A 1 123 . -2.982 68.541 60.481 1.00 12.91 ? CA GLY A 123 1 -ATOM 925 C C . GLY A 1 123 . -4.081 69.464 59.985 1.00 14.38 ? C GLY A 123 1 -ATOM 926 O O . GLY A 1 123 . -5.277 69.204 60.076 1.00 17.47 ? O GLY A 123 1 -ATOM 927 N N . SER A 1 124 . -3.667 70.609 59.463 1.00 12.13 ? N SER A 124 1 -ATOM 928 C CA . SER A 1 124 . -4.608 71.546 58.902 1.00 15.36 ? CA SER A 124 1 -ATOM 929 C C . SER A 1 124 . -3.839 72.263 57.826 1.00 19.62 ? C SER A 124 1 -ATOM 930 O O . SER A 1 124 . -2.623 72.360 57.868 1.00 21.18 ? O SER A 124 1 -ATOM 931 C CB . SER A 1 124 . -5.124 72.554 59.919 1.00 16.61 ? CB SER A 124 1 -ATOM 932 O OG . SER A 1 124 . -5.954 71.920 60.876 1.00 22.82 ? OG SER A 124 1 -ATOM 933 N N . SER A 1 125 . -4.571 72.752 56.839 1.00 20.53 ? N SER A 125 1 -ATOM 934 C CA . SER A 1 125 . -3.953 73.469 55.739 1.00 19.71 ? CA SER A 125 1 -ATOM 935 C C . SER A 1 125 . -4.045 74.981 55.940 1.00 19.53 ? C SER A 125 1 -ATOM 936 O O . SER A 1 125 . -3.391 75.776 55.296 1.00 23.23 ? O SER A 125 1 -ATOM 937 C CB . SER A 1 125 . -4.691 73.059 54.458 1.00 16 ? CB SER A 125 1 -ATOM 938 O OG . SER A 1 125 . -6.096 73.286 54.626 1.00 20.88 ? OG SER A 125 1 -ATOM 939 N N . THR A 1 126 . -4.918 75.336 56.865 1.00 17.15 ? N THR A 126 1 -ATOM 940 C CA . THR A 1 126 . -5.267 76.683 57.258 1.00 16.37 ? CA THR A 126 1 -ATOM 941 C C . THR A 1 126 . -4.343 77.317 58.289 1.00 15.76 ? C THR A 126 1 -ATOM 942 O O . THR A 1 126 . -4.533 78.441 58.740 1.00 19.46 ? O THR A 126 1 -ATOM 943 C CB . THR A 1 126 . -6.684 76.536 57.859 1.00 18.02 ? CB THR A 126 1 -ATOM 944 O OG1 . THR A 1 126 . -6.568 75.606 58.952 1.00 21.85 ? OG1 THR A 126 1 -ATOM 945 C CG2 . THR A 1 126 . -7.685 75.878 56.882 1.00 14.37 ? CG2 THR A 126 1 -ATOM 946 N N . LEU A 1 127 . -3.337 76.562 58.719 1.00 13.5 ? N LEU A 127 1 -ATOM 947 C CA . LEU A 1 127 . -2.451 77.133 59.722 1.00 11.7 ? CA LEU A 127 1 -ATOM 948 C C . LEU A 1 127 . -1.705 78.306 59.147 1.00 12.34 ? C LEU A 127 1 -ATOM 949 O O . LEU A 1 127 . -1.409 78.366 57.975 1.00 17.17 ? O LEU A 127 1 -ATOM 950 C CB . LEU A 1 127 . -1.422 76.104 60.212 1.00 9.96 ? CB LEU A 127 1 -ATOM 951 C CG . LEU A 1 127 . -2.002 74.756 60.677 1.00 7.51 ? CG LEU A 127 1 -ATOM 952 C CD1 . LEU A 1 127 . -0.870 73.911 61.282 1.00 9.8 ? CD1 LEU A 127 1 -ATOM 953 C CD2 . LEU A 1 127 . -3.143 74.925 61.696 1.00 6.16 ? CD2 LEU A 127 1 -ATOM 954 N N . ASP A 1 128 . -1.321 79.238 59.977 1.00 13.92 ? N ASP A 128 1 -ATOM 955 C CA . ASP A 1 128 . -0.609 80.406 59.501 1.00 16.51 ? CA ASP A 128 1 -ATOM 956 C C . ASP A 1 128 . 0.772 80.081 59.013 1.00 15.68 ? C ASP A 128 1 -ATOM 957 O O . ASP A 1 128 . 1.313 80.837 58.228 1.00 18.82 ? O ASP A 128 1 -ATOM 958 C CB . ASP A 1 128 . -0.487 81.527 60.544 1.00 23.3 ? CB ASP A 128 1 -ATOM 959 C CG . ASP A 1 128 . -1.804 82.083 61.084 1.00 28.62 ? CG ASP A 128 1 -ATOM 960 O OD1 . ASP A 1 128 . -2.870 81.733 60.572 1.00 36.47 ? OD1 ASP A 128 1 -ATOM 961 O OD2 . ASP A 1 128 . -1.751 82.873 62.029 1.00 35.21 ? OD2 ASP A 128 1 -ATOM 962 N N . VAL A 1 129 . 1.374 78.973 59.458 1.00 16.76 ? N VAL A 129 1 -ATOM 963 C CA . VAL A 1 129 . 2.721 78.716 58.919 1.00 17.51 ? CA VAL A 129 1 -ATOM 964 C C . VAL A 1 129 . 2.614 78.002 57.572 1.00 20.95 ? C VAL A 129 1 -ATOM 965 O O . VAL A 1 129 . 3.617 77.561 57.037 1.00 24.78 ? O VAL A 129 1 -ATOM 966 C CB . VAL A 1 129 . 3.617 77.937 59.912 1.00 9.97 ? CB VAL A 129 1 -ATOM 967 C CG1 . VAL A 1 129 . 4.157 78.846 61.020 1.00 15.67 ? CG1 VAL A 129 1 -ATOM 968 C CG2 . VAL A 1 129 . 2.894 76.746 60.546 1.00 7.52 ? CG2 VAL A 129 1 -ATOM 969 N N . TYR A 1 130 . 1.381 77.844 57.063 1.00 17.72 ? N TYR A 130 1 -ATOM 970 C CA . TYR A 1 130 . 1.176 77.188 55.783 1.00 15.58 ? CA TYR A 130 1 -ATOM 971 C C . TYR A 1 130 . 0.429 78.157 54.867 1.00 22.21 ? C TYR A 130 1 -ATOM 972 O O . TYR A 1 130 . -0.228 77.797 53.894 1.00 24.39 ? O TYR A 130 1 -ATOM 973 C CB . TYR A 1 130 . 0.299 75.934 55.952 1.00 11.62 ? CB TYR A 130 1 -ATOM 974 C CG . TYR A 1 130 . 0.825 74.823 56.857 1.00 9.44 ? CG TYR A 130 1 -ATOM 975 C CD1 . TYR A 1 130 . 2.180 74.673 57.197 1.00 5.49 ? CD1 TYR A 130 1 -ATOM 976 C CD2 . TYR A 1 130 . -0.092 73.884 57.363 1.00 8.88 ? CD2 TYR A 130 1 -ATOM 977 C CE1 . TYR A 1 130 . 2.591 73.611 58.022 1.00 6.11 ? CE1 TYR A 130 1 -ATOM 978 C CE2 . TYR A 1 130 . 0.320 72.812 58.171 1.00 5.33 ? CE2 TYR A 130 1 -ATOM 979 C CZ . TYR A 1 130 . 1.671 72.666 58.500 1.00 7.17 ? CZ TYR A 130 1 -ATOM 980 O OH . TYR A 1 130 . 2.143 71.595 59.244 1.00 4.45 ? OH TYR A 130 1 -ATOM 981 N N . ASN A 1 131 . 0.493 79.452 55.222 1.00 24.81 ? N ASN A 131 1 -ATOM 982 C CA . ASN A 1 131 . -0.197 80.445 54.400 1.00 23.92 ? CA ASN A 131 1 -ATOM 983 C C . ASN A 1 131 . 0.734 80.708 53.237 1.00 23.49 ? C ASN A 131 1 -ATOM 984 O O . ASN A 1 131 . 1.803 81.283 53.393 1.00 25.76 ? O ASN A 131 1 -ATOM 985 C CB . ASN A 1 131 . -0.482 81.708 55.217 1.00 24.47 ? CB ASN A 131 1 -ATOM 986 C CG . ASN A 1 131 . -1.187 82.722 54.362 1.00 22.55 ? CG ASN A 131 1 -ATOM 987 O OD1 . ASN A 1 131 . -0.626 83.207 53.402 1.00 22.56 ? OD1 ASN A 131 1 -ATOM 988 N ND2 . ASN A 1 131 . -2.427 83.044 54.691 1.00 27.84 ? ND2 ASN A 131 1 -ATOM 989 N N . GLY A 1 132 . 0.325 80.257 52.049 1.00 25.22 ? N GLY A 132 1 -ATOM 990 C CA . GLY A 1 132 . 1.201 80.415 50.887 1.00 24.01 ? CA GLY A 132 1 -ATOM 991 C C . GLY A 1 132 . 1.292 81.780 50.223 1.00 24.53 ? C GLY A 132 1 -ATOM 992 O O . GLY A 1 132 . 1.938 81.880 49.181 1.00 22.81 ? O GLY A 132 1 -ATOM 993 N N . LYS A 1 133 . 0.691 82.840 50.796 1.00 23.16 ? N LYS A 133 1 -ATOM 994 C CA . LYS A 1 133 . 0.787 84.142 50.126 1.00 20.32 ? CA LYS A 133 1 -ATOM 995 C C . LYS A 1 133 . 2.206 84.627 49.859 1.00 20.65 ? C LYS A 133 1 -ATOM 996 O O . LYS A 1 133 . 2.522 85.208 48.831 1.00 21.83 ? O LYS A 133 1 -ATOM 997 C CB . LYS A 1 133 . 0.023 85.259 50.877 1.00 16.95 ? CB LYS A 133 1 -ATOM 998 C CG . LYS A 1 133 . 0.713 85.863 52.142 1.00 22.4 ? CG LYS A 133 1 -ATOM 999 C CD . LYS A 1 133 . -0.033 87.022 52.852 1.00 20.59 ? CD LYS A 133 1 -ATOM 1000 C CE . LYS A 1 133 . -1.463 86.654 53.243 1.00 30.03 ? CE LYS A 133 1 -ATOM 1001 N NZ . LYS A 1 133 . -2.093 87.733 53.974 1.00 36.8 ? NZ LYS A 133 1 -ATOM 1002 N N . TYR A 1 134 . 3.082 84.366 50.816 1.00 21.5 ? N TYR A 134 1 -ATOM 1003 C CA . TYR A 1 134 . 4.442 84.873 50.659 1.00 22.9 ? CA TYR A 134 1 -ATOM 1004 C C . TYR A 1 134 . 5.211 84.124 49.615 1.00 22.76 ? C TYR A 134 1 -ATOM 1005 O O . TYR A 1 134 . 5.920 84.695 48.808 1.00 22.22 ? O TYR A 134 1 -ATOM 1006 C CB . TYR A 1 134 . 5.214 84.878 52.002 1.00 25.06 ? CB TYR A 134 1 -ATOM 1007 C CG . TYR A 1 134 . 4.405 85.495 53.122 1.00 25.21 ? CG TYR A 134 1 -ATOM 1008 C CD1 . TYR A 1 134 . 4.387 86.883 53.331 1.00 26.12 ? CD1 TYR A 134 1 -ATOM 1009 C CD2 . TYR A 1 134 . 3.620 84.668 53.938 1.00 27.87 ? CD2 TYR A 134 1 -ATOM 1010 C CE1 . TYR A 1 134 . 3.581 87.440 54.333 1.00 29.44 ? CE1 TYR A 134 1 -ATOM 1011 C CE2 . TYR A 1 134 . 2.807 85.215 54.935 1.00 30.74 ? CE2 TYR A 134 1 -ATOM 1012 C CZ . TYR A 1 134 . 2.783 86.605 55.135 1.00 32.62 ? CZ TYR A 134 1 -ATOM 1013 O OH . TYR A 1 134 . 1.969 87.160 56.108 1.00 36.7 ? OH TYR A 134 1 -ATOM 1014 N N . LEU A 1 135 . 5.041 82.804 49.612 1.00 25.17 ? N LEU A 135 1 -ATOM 1015 C CA . LEU A 1 135 . 5.786 82.023 48.620 1.00 22.13 ? CA LEU A 135 1 -ATOM 1016 C C . LEU A 1 135 . 5.305 82.336 47.200 1.00 23.51 ? C LEU A 135 1 -ATOM 1017 O O . LEU A 1 135 . 6.081 82.613 46.287 1.00 23.54 ? O LEU A 135 1 -ATOM 1018 C CB . LEU A 1 135 . 5.709 80.520 48.958 1.00 13.03 ? CB LEU A 135 1 -ATOM 1019 C CG . LEU A 1 135 . 6.761 79.635 48.278 1.00 9.29 ? CG LEU A 135 1 -ATOM 1020 C CD1 . LEU A 1 135 . 8.181 80.179 48.469 1.00 6.96 ? CD1 LEU A 135 1 -ATOM 1021 C CD2 . LEU A 1 135 . 6.710 78.203 48.836 1.00 2 ? CD2 LEU A 135 1 -ATOM 1022 N N . ALA A 1 136 . 3.969 82.313 47.054 1.00 22.76 ? N ALA A 136 1 -ATOM 1023 C CA . ALA A 1 136 . 3.352 82.583 45.765 1.00 22.99 ? CA ALA A 136 1 -ATOM 1024 C C . ALA A 1 136 . 3.797 83.909 45.190 1.00 26.43 ? C ALA A 136 1 -ATOM 1025 O O . ALA A 1 136 . 4.072 84.061 44.008 1.00 31.51 ? O ALA A 136 1 -ATOM 1026 C CB . ALA A 1 136 . 1.822 82.620 45.886 1.00 24.06 ? CB ALA A 136 1 -ATOM 1027 N N . TYR A 1 137 . 3.864 84.891 46.075 1.00 25.08 ? N TYR A 137 1 -ATOM 1028 C CA . TYR A 1 137 . 4.259 86.228 45.667 1.00 21.07 ? CA TYR A 137 1 -ATOM 1029 C C . TYR A 1 137 . 5.752 86.352 45.390 1.00 19.78 ? C TYR A 137 1 -ATOM 1030 O O . TYR A 1 137 . 6.186 86.678 44.302 1.00 22.62 ? O TYR A 137 1 -ATOM 1031 C CB . TYR A 1 137 . 3.776 87.176 46.780 1.00 21.86 ? CB TYR A 137 1 -ATOM 1032 C CG . TYR A 1 137 . 4.207 88.596 46.587 1.00 25.22 ? CG TYR A 137 1 -ATOM 1033 C CD1 . TYR A 1 137 . 5.469 89.006 47.056 1.00 26.11 ? CD1 TYR A 137 1 -ATOM 1034 C CD2 . TYR A 1 137 . 3.390 89.502 45.897 1.00 27.33 ? CD2 TYR A 137 1 -ATOM 1035 C CE1 . TYR A 1 137 . 5.934 90.303 46.813 1.00 26.02 ? CE1 TYR A 137 1 -ATOM 1036 C CE2 . TYR A 1 137 . 3.861 90.803 45.650 1.00 29.82 ? CE2 TYR A 137 1 -ATOM 1037 C CZ . TYR A 1 137 . 5.131 91.205 46.099 1.00 27.3 ? CZ TYR A 137 1 -ATOM 1038 O OH . TYR A 1 137 . 5.590 92.473 45.816 1.00 30.83 ? OH TYR A 137 1 -ATOM 1039 N N . THR A 1 138 . 6.561 86.075 46.389 1.00 20.97 ? N THR A 138 1 -ATOM 1040 C CA . THR A 1 138 . 7.994 86.219 46.226 1.00 20.55 ? CA THR A 138 1 -ATOM 1041 C C . THR A 1 138 . 8.594 85.388 45.105 1.00 19.98 ? C THR A 138 1 -ATOM 1042 O O . THR A 1 138 . 9.536 85.824 44.465 1.00 22.83 ? O THR A 138 1 -ATOM 1043 C CB . THR A 1 138 . 8.658 85.913 47.603 1.00 23.61 ? CB THR A 138 1 -ATOM 1044 O OG1 . THR A 1 138 . 8.013 86.675 48.628 1.00 26.1 ? OG1 THR A 138 1 -ATOM 1045 C CG2 . THR A 1 138 . 10.153 86.255 47.751 1.00 24.64 ? CG2 THR A 138 1 -ATOM 1046 N N . GLU A 1 139 . 8.076 84.177 44.875 1.00 20.94 ? N GLU A 139 1 -ATOM 1047 C CA . GLU A 1 139 . 8.660 83.342 43.822 1.00 20.56 ? CA GLU A 139 1 -ATOM 1048 C C . GLU A 1 139 . 7.784 83.199 42.580 1.00 24.47 ? C GLU A 139 1 -ATOM 1049 O O . GLU A 1 139 . 8.175 82.603 41.583 1.00 25.05 ? O GLU A 139 1 -ATOM 1050 C CB . GLU A 1 139 . 9.037 81.968 44.390 1.00 14.12 ? CB GLU A 139 1 -ATOM 1051 C CG . GLU A 1 139 . 10.209 82.052 45.386 1.00 17.03 ? CG GLU A 139 1 -ATOM 1052 C CD . GLU A 1 139 . 11.524 82.428 44.705 1.00 24.78 ? CD GLU A 139 1 -ATOM 1053 O OE1 . GLU A 1 139 . 11.720 82.081 43.540 1.00 26.19 ? OE1 GLU A 139 1 -ATOM 1054 O OE2 . GLU A 1 139 . 12.362 83.065 45.341 1.00 27.39 ? OE2 GLU A 139 1 -ATOM 1055 N N . GLU A 1 140 . 6.575 83.751 42.655 1.00 25.5 ? N GLU A 140 1 -ATOM 1056 C CA . GLU A 1 140 . 5.678 83.684 41.516 1.00 25.77 ? CA GLU A 140 1 -ATOM 1057 C C . GLU A 1 140 . 5.417 82.271 41.083 1.00 23.21 ? C GLU A 140 1 -ATOM 1058 O O . GLU A 1 140 . 5.790 81.845 40.001 1.00 24.2 ? O GLU A 140 1 -ATOM 1059 C CB . GLU A 1 140 . 6.182 84.550 40.358 1.00 31.13 ? CB GLU A 140 1 -ATOM 1060 C CG . GLU A 1 140 . 6.341 86.013 40.826 1.00 42.92 ? CG GLU A 140 1 -ATOM 1061 C CD . GLU A 1 140 . 7.014 86.896 39.795 1.00 46.01 ? CD GLU A 140 1 -ATOM 1062 O OE1 . GLU A 1 140 . 8.247 86.987 39.816 1.00 48.31 ? OE1 GLU A 140 1 -ATOM 1063 O OE2 . GLU A 1 140 . 6.300 87.494 38.988 1.00 48.93 ? OE2 GLU A 140 1 -ATOM 1064 N N . VAL A 1 141 . 4.758 81.551 41.978 1.00 19.1 ? N VAL A 141 1 -ATOM 1065 C CA . VAL A 1 141 . 4.408 80.193 41.681 1.00 16.2 ? CA VAL A 141 1 -ATOM 1066 C C . VAL A 1 141 . 2.971 80.098 42.117 1.00 17.91 ? C VAL A 141 1 -ATOM 1067 O O . VAL A 1 141 . 2.477 80.967 42.828 1.00 19.3 ? O VAL A 141 1 -ATOM 1068 C CB . VAL A 1 141 . 5.310 79.223 42.464 1.00 13.59 ? CB VAL A 141 1 -ATOM 1069 C CG1 . VAL A 1 141 . 6.789 79.545 42.267 1.00 14.93 ? CG1 VAL A 141 1 -ATOM 1070 C CG2 . VAL A 1 141 . 5.016 79.148 43.974 1.00 15.84 ? CG2 VAL A 141 1 -ATOM 1071 N N . VAL A 1 142 . 2.297 79.049 41.667 1.00 19.99 ? N VAL A 142 1 -ATOM 1072 C CA . VAL A 1 142 . 0.929 78.836 42.099 1.00 21.84 ? CA VAL A 142 1 -ATOM 1073 C C . VAL A 1 142 . 1.158 77.865 43.278 1.00 25.41 ? C VAL A 142 1 -ATOM 1074 O O . VAL A 1 142 . 1.933 76.905 43.156 1.00 28.57 ? O VAL A 142 1 -ATOM 1075 C CB . VAL A 1 142 . 0.102 78.239 40.935 1.00 16.98 ? CB VAL A 142 1 -ATOM 1076 C CG1 . VAL A 1 142 . -1.294 77.780 41.354 1.00 13.15 ? CG1 VAL A 142 1 -ATOM 1077 C CG2 . VAL A 1 142 . -0.015 79.247 39.779 1.00 14.31 ? CG2 VAL A 142 1 -ATOM 1078 N N . LEU A 1 143 . 0.506 78.116 44.421 1.00 20.39 ? N LEU A 143 1 -ATOM 1079 C CA . LEU A 1 143 . 0.739 77.203 45.521 1.00 16.77 ? CA LEU A 143 1 -ATOM 1080 C C . LEU A 1 143 . -0.568 76.675 45.998 1.00 14.76 ? C LEU A 143 1 -ATOM 1081 O O . LEU A 1 143 . -1.495 77.470 46.130 1.00 16.15 ? O LEU A 143 1 -ATOM 1082 C CB . LEU A 1 143 . 1.421 77.980 46.647 1.00 18.86 ? CB LEU A 143 1 -ATOM 1083 C CG . LEU A 1 143 . 2.033 77.054 47.721 1.00 21.71 ? CG LEU A 143 1 -ATOM 1084 C CD1 . LEU A 1 143 . 3.315 77.673 48.226 1.00 23.56 ? CD1 LEU A 143 1 -ATOM 1085 C CD2 . LEU A 1 143 . 1.098 76.749 48.911 1.00 25.64 ? CD2 LEU A 143 1 -ATOM 1086 N N . VAL A 1 144 . -0.655 75.366 46.252 1.00 10.75 ? N VAL A 144 1 -ATOM 1087 C CA . VAL A 1 144 . -1.919 74.860 46.755 1.00 14.28 ? CA VAL A 144 1 -ATOM 1088 C C . VAL A 1 144 . -1.633 74.090 48.043 1.00 17.51 ? C VAL A 144 1 -ATOM 1089 O O . VAL A 1 144 . -0.498 73.691 48.307 1.00 17.97 ? O VAL A 144 1 -ATOM 1090 C CB . VAL A 1 144 . -2.686 74.015 45.688 1.00 13.8 ? CB VAL A 144 1 -ATOM 1091 C CG1 . VAL A 1 144 . -2.732 74.691 44.318 1.00 12.2 ? CG1 VAL A 144 1 -ATOM 1092 C CG2 . VAL A 1 144 . -2.147 72.612 45.491 1.00 12.87 ? CG2 VAL A 144 1 -ATOM 1093 N N . SER A 1 145 . -2.688 73.863 48.838 1.00 18.01 ? N SER A 145 1 -ATOM 1094 C CA . SER A 1 145 . -2.565 73.094 50.077 1.00 16.75 ? CA SER A 145 1 -ATOM 1095 C C . SER A 1 145 . -3.721 72.102 50.093 1.00 18.35 ? C SER A 145 1 -ATOM 1096 O O . SER A 1 145 . -4.841 72.534 49.830 1.00 21.33 ? O SER A 145 1 -ATOM 1097 C CB . SER A 1 145 . -2.752 73.997 51.294 1.00 14.17 ? CB SER A 145 1 -ATOM 1098 O OG . SER A 1 145 . -1.903 75.113 51.205 1.00 15.89 ? OG SER A 145 1 -ATOM 1099 N N . LEU A 1 146 . -3.436 70.823 50.382 1.00 16.79 ? N LEU A 146 1 -ATOM 1100 C CA . LEU A 1 146 . -4.478 69.793 50.431 1.00 18.68 ? CA LEU A 146 1 -ATOM 1101 C C . LEU A 1 146 . -5.026 69.673 51.849 1.00 20.48 ? C LEU A 146 1 -ATOM 1102 O O . LEU A 1 146 . -4.548 70.291 52.790 1.00 21.78 ? O LEU A 146 1 -ATOM 1103 C CB . LEU A 1 146 . -3.892 68.376 50.129 1.00 16.79 ? CB LEU A 146 1 -ATOM 1104 C CG . LEU A 1 146 . -2.875 68.317 48.994 1.00 14.27 ? CG LEU A 146 1 -ATOM 1105 C CD1 . LEU A 1 146 . -2.457 66.882 48.684 1.00 13.59 ? CD1 LEU A 146 1 -ATOM 1106 C CD2 . LEU A 1 146 . -3.470 68.973 47.764 1.00 19.32 ? CD2 LEU A 146 1 -ATOM 1107 N N . SER A 1 147 . -6.012 68.801 51.976 1.00 19.32 ? N SER A 147 1 -ATOM 1108 C CA . SER A 1 147 . -6.625 68.454 53.232 1.00 18.72 ? CA SER A 147 1 -ATOM 1109 C C . SER A 1 147 . -6.769 66.967 53.082 1.00 19.4 ? C SER A 147 1 -ATOM 1110 O O . SER A 1 147 . -6.957 66.501 51.965 1.00 22.27 ? O SER A 147 1 -ATOM 1111 C CB . SER A 1 147 . -8.036 69.035 53.378 1.00 20.89 ? CB SER A 147 1 -ATOM 1112 O OG . SER A 1 147 . -7.956 70.444 53.544 1.00 37.06 ? OG SER A 147 1 -ATOM 1113 N N . TYR A 1 148 . -6.666 66.195 54.149 1.00 17.63 ? N TYR A 148 1 -ATOM 1114 C CA . TYR A 1 148 . -6.852 64.775 54.008 1.00 13.26 ? CA TYR A 148 1 -ATOM 1115 C C . TYR A 1 148 . -7.206 64.252 55.354 1.00 11.54 ? C TYR A 148 1 -ATOM 1116 O O . TYR A 1 148 . -6.831 64.780 56.380 1.00 13.23 ? O TYR A 148 1 -ATOM 1117 C CB . TYR A 1 148 . -5.637 64.082 53.421 1.00 14.4 ? CB TYR A 148 1 -ATOM 1118 C CG . TYR A 1 148 . -4.381 64.141 54.265 1.00 9.41 ? CG TYR A 148 1 -ATOM 1119 C CD1 . TYR A 1 148 . -3.487 65.221 54.133 1.00 10.32 ? CD1 TYR A 148 1 -ATOM 1120 C CD2 . TYR A 1 148 . -4.081 63.096 55.175 1.00 10.52 ? CD2 TYR A 148 1 -ATOM 1121 C CE1 . TYR A 1 148 . -2.315 65.264 54.877 1.00 12.35 ? CE1 TYR A 148 1 -ATOM 1122 C CE2 . TYR A 1 148 . -2.915 63.128 55.942 1.00 7.28 ? CE2 TYR A 148 1 -ATOM 1123 C CZ . TYR A 1 148 . -2.053 64.227 55.784 1.00 8.13 ? CZ TYR A 148 1 -ATOM 1124 O OH . TYR A 1 148 . -0.947 64.277 56.571 1.00 10.17 ? OH TYR A 148 1 -ATOM 1125 N N . ARG A 1 149 . -7.992 63.207 55.347 1.00 8.06 ? N ARG A 149 1 -ATOM 1126 C CA . ARG A 1 149 . -8.396 62.667 56.614 1.00 7.55 ? CA ARG A 149 1 -ATOM 1127 C C . ARG A 1 149 . -7.230 62.040 57.315 1.00 10.66 ? C ARG A 149 1 -ATOM 1128 O O . ARG A 1 149 . -6.502 61.285 56.693 1.00 15.64 ? O ARG A 149 1 -ATOM 1129 C CB . ARG A 1 149 . -9.464 61.634 56.327 1.00 2.81 ? CB ARG A 149 1 -ATOM 1130 C CG . ARG A 1 149 . -10.742 62.352 55.885 1.00 4.63 ? CG ARG A 149 1 -ATOM 1131 C CD . ARG A 1 149 . -11.813 61.344 55.529 1.00 7.73 ? CD ARG A 149 1 -ATOM 1132 N NE . ARG A 1 149 . -11.515 60.858 54.207 1.00 6.6 ? NE ARG A 149 1 -ATOM 1133 C CZ . ARG A 1 149 . -12.149 59.825 53.671 1.00 8.52 ? CZ ARG A 149 1 -ATOM 1134 N NH1 . ARG A 1 149 . -12.956 59.041 54.382 1.00 5.14 ? NH1 ARG A 149 1 -ATOM 1135 N NH2 . ARG A 1 149 . -11.952 59.587 52.384 1.00 12.44 ? NH2 ARG A 149 1 -ATOM 1136 N N . VAL A 1 150 . -7.116 62.352 58.605 1.00 10.93 ? N VAL A 150 1 -ATOM 1137 C CA . VAL A 1 150 . -6.094 61.871 59.496 1.00 9.4 ? CA VAL A 150 1 -ATOM 1138 C C . VAL A 1 150 . -6.789 60.995 60.528 1.00 11.21 ? C VAL A 150 1 -ATOM 1139 O O . VAL A 1 150 . -8.006 60.908 60.612 1.00 10.42 ? O VAL A 150 1 -ATOM 1140 C CB . VAL A 1 150 . -5.471 63.106 60.162 1.00 5.14 ? CB VAL A 150 1 -ATOM 1141 C CG1 . VAL A 1 150 . -4.638 63.903 59.153 1.00 8.3 ? CG1 VAL A 150 1 -ATOM 1142 C CG2 . VAL A 1 150 . -6.524 64.009 60.828 1.00 2 ? CG2 VAL A 150 1 -ATOM 1143 N N . GLY A 1 151 . -6.004 60.306 61.333 1.00 8.74 ? N GLY A 151 1 -ATOM 1144 C CA . GLY A 1 151 . -6.612 59.499 62.367 1.00 13.27 ? CA GLY A 151 1 -ATOM 1145 C C . GLY A 1 151 . -7.414 58.318 61.874 1.00 13.43 ? C GLY A 151 1 -ATOM 1146 O O . GLY A 1 151 . -7.234 57.777 60.799 1.00 18.94 ? O GLY A 151 1 -ATOM 1147 N N . ALA A 1 152 . -8.338 57.913 62.734 1.00 15.81 ? N ALA A 152 1 -ATOM 1148 C CA . ALA A 1 152 . -9.201 56.786 62.448 1.00 15.08 ? CA ALA A 152 1 -ATOM 1149 C C . ALA A 1 152 . -9.902 56.996 61.142 1.00 16.48 ? C ALA A 152 1 -ATOM 1150 O O . ALA A 1 152 . -9.926 56.157 60.255 1.00 19.77 ? O ALA A 152 1 -ATOM 1151 C CB . ALA A 1 152 . -10.277 56.644 63.557 1.00 16.38 ? CB ALA A 152 1 -ATOM 1152 N N . PHE A 1 153 . -10.456 58.201 61.068 1.00 16.47 ? N PHE A 153 1 -ATOM 1153 C CA . PHE A 1 153 . -11.234 58.661 59.929 1.00 17.52 ? CA PHE A 153 1 -ATOM 1154 C C . PHE A 1 153 . -10.564 58.546 58.590 1.00 19.1 ? C PHE A 153 1 -ATOM 1155 O O . PHE A 1 153 . -11.256 58.502 57.578 1.00 22.12 ? O PHE A 153 1 -ATOM 1156 C CB . PHE A 1 153 . -11.598 60.141 60.079 1.00 17.58 ? CB PHE A 153 1 -ATOM 1157 C CG . PHE A 1 153 . -12.250 60.434 61.396 1.00 18.29 ? CG PHE A 153 1 -ATOM 1158 C CD1 . PHE A 1 153 . -13.592 60.077 61.604 1.00 17.81 ? CD1 PHE A 153 1 -ATOM 1159 C CD2 . PHE A 1 153 . -11.517 61.048 62.428 1.00 19.79 ? CD2 PHE A 153 1 -ATOM 1160 C CE1 . PHE A 1 153 . -14.192 60.328 62.843 1.00 19.64 ? CE1 PHE A 153 1 -ATOM 1161 C CE2 . PHE A 1 153 . -12.119 61.298 63.664 1.00 14.71 ? CE2 PHE A 153 1 -ATOM 1162 C CZ . PHE A 1 153 . -13.454 60.935 63.873 1.00 16.31 ? CZ PHE A 153 1 -ATOM 1163 N N . GLY A 1 154 . -9.223 58.559 58.589 1.00 17.08 ? N GLY A 154 1 -ATOM 1164 C CA . GLY A 1 154 . -8.510 58.461 57.335 1.00 13.2 ? CA GLY A 154 1 -ATOM 1165 C C . GLY A 1 154 . -7.645 57.226 57.227 1.00 16.76 ? C GLY A 154 1 -ATOM 1166 O O . GLY A 1 154 . -7.200 56.899 56.126 1.00 21.42 ? O GLY A 154 1 -ATOM 1167 N N . PHE A 1 155 . -7.410 56.495 58.332 1.00 10.13 ? N PHE A 155 1 -ATOM 1168 C CA . PHE A 1 155 . -6.518 55.357 58.190 1.00 4.35 ? CA PHE A 155 1 -ATOM 1169 C C . PHE A 1 155 . -6.946 54.070 58.856 1.00 6.32 ? C PHE A 155 1 -ATOM 1170 O O . PHE A 1 155 . -6.132 53.154 59.010 1.00 5.8 ? O PHE A 155 1 -ATOM 1171 C CB . PHE A 1 155 . -5.110 55.781 58.600 1.00 2.53 ? CB PHE A 155 1 -ATOM 1172 C CG . PHE A 1 155 . -4.545 56.853 57.682 1.00 7.11 ? CG PHE A 155 1 -ATOM 1173 C CD1 . PHE A 1 155 . -4.762 58.218 57.957 1.00 7.24 ? CD1 PHE A 155 1 -ATOM 1174 C CD2 . PHE A 1 155 . -3.771 56.499 56.553 1.00 8.43 ? CD2 PHE A 155 1 -ATOM 1175 C CE1 . PHE A 1 155 . -4.200 59.206 57.133 1.00 6.69 ? CE1 PHE A 155 1 -ATOM 1176 C CE2 . PHE A 1 155 . -3.213 57.491 55.732 1.00 5.43 ? CE2 PHE A 155 1 -ATOM 1177 C CZ . PHE A 1 155 . -3.423 58.846 56.027 1.00 3.73 ? CZ PHE A 155 1 -ATOM 1178 N N . LEU A 1 156 . -8.224 53.988 59.250 1.00 5.3 ? N LEU A 156 1 -ATOM 1179 C CA . LEU A 1 156 . -8.702 52.738 59.857 1.00 8.53 ? CA LEU A 156 1 -ATOM 1180 C C . LEU A 1 156 . -8.566 51.683 58.777 1.00 8.36 ? C LEU A 156 1 -ATOM 1181 O O . LEU A 1 156 . -8.850 51.994 57.634 1.00 10.64 ? O LEU A 156 1 -ATOM 1182 C CB . LEU A 1 156 . -10.174 52.893 60.269 1.00 11.58 ? CB LEU A 156 1 -ATOM 1183 C CG . LEU A 1 156 . -10.789 51.648 60.921 1.00 9.96 ? CG LEU A 156 1 -ATOM 1184 C CD1 . LEU A 1 156 . -10.048 51.273 62.201 1.00 13.48 ? CD1 LEU A 156 1 -ATOM 1185 C CD2 . LEU A 1 156 . -12.269 51.889 61.218 1.00 11.63 ? CD2 LEU A 156 1 -ATOM 1186 N N . ALA A 1 157 . -8.180 50.451 59.089 1.00 8.96 ? N ALA A 157 1 -ATOM 1187 C CA . ALA A 1 157 . -8.007 49.543 57.969 1.00 8.75 ? CA ALA A 157 1 -ATOM 1188 C C . ALA A 1 157 . -8.408 48.094 58.168 1.00 12.3 ? C ALA A 157 1 -ATOM 1189 O O . ALA A 1 157 . -7.582 47.229 58.464 1.00 8.91 ? O ALA A 157 1 -ATOM 1190 C CB . ALA A 1 157 . -6.513 49.552 57.612 1.00 8.11 ? CB ALA A 157 1 -ATOM 1191 N N . LEU A 1 158 . -9.694 47.818 57.925 1.00 15.41 ? N LEU A 158 1 -ATOM 1192 C CA . LEU A 1 158 . -10.188 46.440 58.014 1.00 18.08 ? CA LEU A 158 1 -ATOM 1193 C C . LEU A 1 158 . -10.000 45.902 56.602 1.00 18.96 ? C LEU A 158 1 -ATOM 1194 O O . LEU A 1 158 . -10.913 45.777 55.804 1.00 19.4 ? O LEU A 158 1 -ATOM 1195 C CB . LEU A 1 158 . -11.651 46.445 58.445 1.00 16.34 ? CB LEU A 158 1 -ATOM 1196 C CG . LEU A 1 158 . -11.791 46.932 59.889 1.00 16.07 ? CG LEU A 158 1 -ATOM 1197 C CD1 . LEU A 1 158 . -13.179 47.487 60.148 1.00 16.62 ? CD1 LEU A 158 1 -ATOM 1198 C CD2 . LEU A 1 158 . -11.417 45.835 60.895 1.00 16.5 ? CD2 LEU A 158 1 -ATOM 1199 N N . HIS A 1 159 . -8.738 45.603 56.329 1.00 22.98 ? N HIS A 159 1 -ATOM 1200 C CA . HIS A 1 159 . -8.257 45.148 55.040 1.00 30.84 ? CA HIS A 159 1 -ATOM 1201 C C . HIS A 1 159 . -9.211 44.578 54.011 1.00 34.01 ? C HIS A 159 1 -ATOM 1202 O O . HIS A 1 159 . -9.410 45.223 52.986 1.00 40.62 ? O HIS A 159 1 -ATOM 1203 C CB . HIS A 1 159 . -6.949 44.348 55.106 1.00 38.7 ? CB HIS A 159 1 -ATOM 1204 C CG . HIS A 1 159 . -6.384 44.161 53.698 1.00 45.22 ? CG HIS A 159 1 -ATOM 1205 N ND1 . HIS A 1 159 . -6.542 45.038 52.670 1.00 47.49 ? ND1 HIS A 159 1 -ATOM 1206 C CD2 . HIS A 1 159 . -5.646 43.062 53.201 1.00 48.81 ? CD2 HIS A 159 1 -ATOM 1207 C CE1 . HIS A 1 159 . -5.920 44.506 51.599 1.00 48.99 ? CE1 HIS A 159 1 -ATOM 1208 N NE2 . HIS A 1 159 . -5.375 43.317 51.906 1.00 48.28 ? NE2 HIS A 159 1 -ATOM 1209 N N . GLY A 1 160 . -9.753 43.384 54.212 1.00 32.34 ? N GLY A 160 1 -ATOM 1210 C CA . GLY A 1 160 . -10.620 42.905 53.139 1.00 30.82 ? CA GLY A 160 1 -ATOM 1211 C C . GLY A 1 160 . -11.985 43.554 53.111 1.00 33.28 ? C GLY A 160 1 -ATOM 1212 O O . GLY A 1 160 . -12.973 42.851 52.919 1.00 37.69 ? O GLY A 160 1 -ATOM 1213 N N . SER A 1 161 . -12.084 44.860 53.310 1.00 32.25 ? N SER A 161 1 -ATOM 1214 C CA . SER A 1 161 . -13.387 45.468 53.317 1.00 33.51 ? CA SER A 161 1 -ATOM 1215 C C . SER A 1 161 . -13.352 46.684 52.425 1.00 34.9 ? C SER A 161 1 -ATOM 1216 O O . SER A 1 161 . -12.417 47.471 52.363 1.00 39.21 ? O SER A 161 1 -ATOM 1217 C CB . SER A 1 161 . -13.697 45.914 54.752 1.00 31.18 ? CB SER A 161 1 -ATOM 1218 O OG . SER A 1 161 . -15.002 46.512 54.807 1.00 36.26 ? OG SER A 161 1 -ATOM 1219 N N . GLN A 1 162 . -14.531 46.811 51.795 1.00 35.8 ? N GLN A 162 1 -ATOM 1220 C CA . GLN A 1 162 . -14.720 47.953 50.900 1.00 36.93 ? CA GLN A 162 1 -ATOM 1221 C C . GLN A 1 162 . -15.178 49.161 51.716 1.00 34.72 ? C GLN A 162 1 -ATOM 1222 O O . GLN A 1 162 . -15.019 50.319 51.367 1.00 36.56 ? O GLN A 162 1 -ATOM 1223 C CB . GLN A 1 162 . -15.836 47.628 49.860 1.00 39.31 ? CB GLN A 162 1 -ATOM 1224 C CG . GLN A 1 162 . -15.532 46.469 48.834 1.00 41.84 ? CG GLN A 162 1 -ATOM 1225 N N . GLU A 1 163 . -15.808 48.818 52.853 1.00 31.51 ? N GLU A 163 1 -ATOM 1226 C CA . GLU A 1 163 . -16.312 49.886 53.716 1.00 26.96 ? CA GLU A 163 1 -ATOM 1227 C C . GLU A 1 163 . -15.213 50.641 54.439 1.00 23.35 ? C GLU A 163 1 -ATOM 1228 O O . GLU A 1 163 . -15.340 51.820 54.704 1.00 26.46 ? O GLU A 163 1 -ATOM 1229 C CB . GLU A 1 163 . -17.382 49.341 54.675 1.00 29.38 ? CB GLU A 163 1 -ATOM 1230 C CG . GLU A 1 163 . -18.573 48.666 53.964 1.00 23.59 ? CG GLU A 163 1 -ATOM 1231 C CD . GLU A 1 163 . -19.228 49.607 52.977 1.00 23.58 ? CD GLU A 163 1 -ATOM 1232 N N . ALA A 1 164 . -14.150 49.927 54.793 1.00 16.59 ? N ALA A 164 1 -ATOM 1233 C CA . ALA A 1 164 . -13.012 50.549 55.458 1.00 15.06 ? CA ALA A 164 1 -ATOM 1234 C C . ALA A 1 164 . -11.768 49.786 54.980 1.00 16.71 ? C ALA A 164 1 -ATOM 1235 O O . ALA A 1 164 . -11.191 48.965 55.698 1.00 20.04 ? O ALA A 164 1 -ATOM 1236 C CB . ALA A 1 164 . -13.102 50.473 56.993 1.00 9.11 ? CB ALA A 164 1 -ATOM 1237 N N . PRO A 1 165 . -11.363 50.053 53.733 1.00 14.97 ? N PRO A 165 1 -ATOM 1238 C CA . PRO A 1 165 . -10.059 49.592 53.279 1.00 13.44 ? CA PRO A 165 1 -ATOM 1239 C C . PRO A 1 165 . -9.125 50.605 53.898 1.00 16.94 ? C PRO A 165 1 -ATOM 1240 O O . PRO A 1 165 . -9.521 51.684 54.341 1.00 23.84 ? O PRO A 165 1 -ATOM 1241 C CB . PRO A 1 165 . -10.132 49.788 51.767 1.00 14.41 ? CB PRO A 165 1 -ATOM 1242 C CG . PRO A 1 165 . -11.148 50.929 51.544 1.00 13.25 ? CG PRO A 165 1 -ATOM 1243 C CD . PRO A 1 165 . -12.055 50.921 52.779 1.00 11.35 ? CD PRO A 165 1 -ATOM 1244 N N . GLY A 1 166 . -7.847 50.290 53.930 1.00 14.46 ? N GLY A 166 1 -ATOM 1245 C CA . GLY A 1 166 . -7.054 51.348 54.567 1.00 15.06 ? CA GLY A 166 1 -ATOM 1246 C C . GLY A 1 166 . -6.750 52.485 53.617 1.00 10.6 ? C GLY A 166 1 -ATOM 1247 O O . GLY A 1 166 . -7.401 52.732 52.616 1.00 14.05 ? O GLY A 166 1 -ATOM 1248 N N . ASN A 1 167 . -5.690 53.192 53.974 1.00 6.94 ? N ASN A 167 1 -ATOM 1249 C CA . ASN A 1 167 . -5.128 54.278 53.193 1.00 3.98 ? CA ASN A 167 1 -ATOM 1250 C C . ASN A 1 167 . -6.064 55.306 52.602 1.00 5.66 ? C ASN A 167 1 -ATOM 1251 O O . ASN A 1 167 . -5.674 56.072 51.728 1.00 7.4 ? O ASN A 167 1 -ATOM 1252 C CB . ASN A 1 167 . -4.268 53.663 52.087 1.00 2 ? CB ASN A 167 1 -ATOM 1253 C CG . ASN A 1 167 . -3.276 52.695 52.707 1.00 8.15 ? CG ASN A 167 1 -ATOM 1254 O OD1 . ASN A 1 167 . -2.762 52.947 53.782 1.00 16.28 ? OD1 ASN A 167 1 -ATOM 1255 N ND2 . ASN A 1 167 . -3.023 51.567 52.071 1.00 7.46 ? ND2 ASN A 167 1 -ATOM 1256 N N . VAL A 1 168 . -7.279 55.390 53.110 1.00 6.08 ? N VAL A 168 1 -ATOM 1257 C CA . VAL A 1 168 . -8.209 56.344 52.551 1.00 8.29 ? CA VAL A 168 1 -ATOM 1258 C C . VAL A 1 168 . -7.717 57.784 52.574 1.00 10.31 ? C VAL A 168 1 -ATOM 1259 O O . VAL A 1 168 . -7.963 58.584 51.681 1.00 17.23 ? O VAL A 168 1 -ATOM 1260 C CB . VAL A 1 168 . -9.541 56.083 53.259 1.00 9.91 ? CB VAL A 168 1 -ATOM 1261 C CG1 . VAL A 1 168 . -10.541 57.207 53.160 1.00 7.1 ? CG1 VAL A 168 1 -ATOM 1262 C CG2 . VAL A 1 168 . -10.166 54.775 52.740 1.00 11.93 ? CG2 VAL A 168 1 -ATOM 1263 N N . GLY A 1 169 . -6.979 58.137 53.601 1.00 14.57 ? N GLY A 169 1 -ATOM 1264 C CA . GLY A 1 169 . -6.485 59.514 53.652 1.00 13.64 ? CA GLY A 169 1 -ATOM 1265 C C . GLY A 1 169 . -5.486 59.788 52.558 1.00 11.8 ? C GLY A 169 1 -ATOM 1266 O O . GLY A 1 169 . -5.331 60.897 52.058 1.00 12.92 ? O GLY A 169 1 -ATOM 1267 N N . LEU A 1 170 . -4.818 58.707 52.181 1.00 8 ? N LEU A 170 1 -ATOM 1268 C CA . LEU A 1 170 . -3.813 58.722 51.151 1.00 8.15 ? CA LEU A 170 1 -ATOM 1269 C C . LEU A 1 170 . -4.537 58.945 49.820 1.00 10.89 ? C LEU A 170 1 -ATOM 1270 O O . LEU A 1 170 . -4.164 59.742 48.956 1.00 10.83 ? O LEU A 170 1 -ATOM 1271 C CB . LEU A 1 170 . -3.015 57.415 51.312 1.00 5.68 ? CB LEU A 170 1 -ATOM 1272 C CG . LEU A 1 170 . -1.491 57.557 51.374 1.00 3.76 ? CG LEU A 170 1 -ATOM 1273 C CD1 . LEU A 1 170 . -0.946 58.687 52.256 1.00 4.84 ? CD1 LEU A 170 1 -ATOM 1274 C CD2 . LEU A 1 170 . -0.888 56.218 51.803 1.00 3.4 ? CD2 LEU A 170 1 -ATOM 1275 N N . LEU A 1 171 . -5.679 58.255 49.700 1.00 12.59 ? N LEU A 171 1 -ATOM 1276 C CA . LEU A 1 171 . -6.450 58.469 48.466 1.00 13.94 ? CA LEU A 171 1 -ATOM 1277 C C . LEU A 1 171 . -6.950 59.916 48.384 1.00 16.31 ? C LEU A 171 1 -ATOM 1278 O O . LEU A 1 171 . -6.981 60.529 47.327 1.00 22.51 ? O LEU A 171 1 -ATOM 1279 C CB . LEU A 1 171 . -7.633 57.509 48.325 1.00 6.31 ? CB LEU A 171 1 -ATOM 1280 C CG . LEU A 1 171 . -7.182 56.046 48.320 1.00 4.35 ? CG LEU A 171 1 -ATOM 1281 C CD1 . LEU A 1 171 . -8.382 55.107 48.295 1.00 10.78 ? CD1 LEU A 171 1 -ATOM 1282 C CD2 . LEU A 1 171 . -6.277 55.739 47.141 1.00 7.49 ? CD2 LEU A 171 1 -ATOM 1283 N N . ASP A 1 172 . -7.333 60.493 49.524 1.00 15.07 ? N ASP A 172 1 -ATOM 1284 C CA . ASP A 1 172 . -7.785 61.875 49.442 1.00 14.35 ? CA ASP A 172 1 -ATOM 1285 C C . ASP A 1 172 . -6.727 62.773 48.866 1.00 15.63 ? C ASP A 172 1 -ATOM 1286 O O . ASP A 1 172 . -7.038 63.722 48.161 1.00 18.63 ? O ASP A 172 1 -ATOM 1287 C CB . ASP A 1 172 . -8.118 62.497 50.799 1.00 18.99 ? CB ASP A 172 1 -ATOM 1288 C CG . ASP A 1 172 . -9.113 61.733 51.635 1.00 24.06 ? CG ASP A 172 1 -ATOM 1289 O OD1 . ASP A 1 172 . -9.846 60.915 51.094 1.00 26.06 ? OD1 ASP A 172 1 -ATOM 1290 O OD2 . ASP A 1 172 . -9.144 61.963 52.839 1.00 30.47 ? OD2 ASP A 172 1 -ATOM 1291 N N . GLN A 1 173 . -5.463 62.456 49.191 1.00 15.38 ? N GLN A 173 1 -ATOM 1292 C CA . GLN A 1 173 . -4.376 63.289 48.687 1.00 13.29 ? CA GLN A 173 1 -ATOM 1293 C C . GLN A 1 173 . -4.322 63.187 47.198 1.00 13.91 ? C GLN A 173 1 -ATOM 1294 O O . GLN A 1 173 . -4.220 64.154 46.457 1.00 14.44 ? O GLN A 173 1 -ATOM 1295 C CB . GLN A 1 173 . -3.008 62.871 49.249 1.00 10.88 ? CB GLN A 173 1 -ATOM 1296 C CG . GLN A 1 173 . -2.957 62.897 50.779 1.00 12.69 ? CG GLN A 173 1 -ATOM 1297 C CD . GLN A 1 173 . -1.554 62.665 51.307 1.00 12.03 ? CD GLN A 173 1 -ATOM 1298 O OE1 . GLN A 1 173 . -0.559 62.832 50.633 1.00 8.8 ? OE1 GLN A 173 1 -ATOM 1299 N NE2 . GLN A 1 173 . -1.480 62.303 52.567 1.00 17.3 ? NE2 GLN A 173 1 -ATOM 1300 N N . ARG A 1 174 . -4.424 61.930 46.775 1.00 14.81 ? N ARG A 174 1 -ATOM 1301 C CA . ARG A 1 174 . -4.386 61.661 45.346 1.00 13.15 ? CA ARG A 174 1 -ATOM 1302 C C . ARG A 1 174 . -5.470 62.412 44.626 1.00 11.65 ? C ARG A 174 1 -ATOM 1303 O O . ARG A 1 174 . -5.216 63.072 43.635 1.00 14.76 ? O ARG A 174 1 -ATOM 1304 C CB . ARG A 1 174 . -4.520 60.167 45.099 1.00 10.52 ? CB ARG A 174 1 -ATOM 1305 C CG . ARG A 1 174 . -4.373 59.751 43.646 1.00 7.57 ? CG ARG A 174 1 -ATOM 1306 C CD . ARG A 1 174 . -4.632 58.244 43.505 1.00 15.22 ? CD ARG A 174 1 -ATOM 1307 N NE . ARG A 1 174 . -3.503 57.506 44.014 1.00 12.35 ? NE ARG A 174 1 -ATOM 1308 C CZ . ARG A 1 174 . -3.431 56.166 44.057 1.00 16.56 ? CZ ARG A 174 1 -ATOM 1309 N NH1 . ARG A 1 174 . -4.500 55.388 43.885 1.00 13.82 ? NH1 ARG A 174 1 -ATOM 1310 N NH2 . ARG A 1 174 . -2.258 55.603 44.296 1.00 15.94 ? NH2 ARG A 174 1 -ATOM 1311 N N . MET A 1 175 . -6.692 62.313 45.140 1.00 9.23 ? N MET A 175 1 -ATOM 1312 C CA . MET A 1 175 . -7.790 63.018 44.507 1.00 9.52 ? CA MET A 175 1 -ATOM 1313 C C . MET A 1 175 . -7.516 64.506 44.372 1.00 11.08 ? C MET A 175 1 -ATOM 1314 O O . MET A 1 175 . -7.845 65.149 43.384 1.00 14.83 ? O MET A 175 1 -ATOM 1315 C CB . MET A 1 175 . -9.079 62.809 45.275 1.00 12.36 ? CB MET A 175 1 -ATOM 1316 C CG . MET A 1 175 . -10.280 63.432 44.559 1.00 17.99 ? CG MET A 175 1 -ATOM 1317 S SD . MET A 1 175 . -11.671 62.302 44.755 1.00 26.77 ? SD MET A 175 1 -ATOM 1318 C CE . MET A 1 175 . -11.147 61.180 43.418 1.00 23.6 ? CE MET A 175 1 -ATOM 1319 N N . ALA A 1 176 . -6.883 65.076 45.383 1.00 13.8 ? N ALA A 176 1 -ATOM 1320 C CA . ALA A 1 176 . -6.607 66.488 45.224 1.00 12.57 ? CA ALA A 176 1 -ATOM 1321 C C . ALA A 1 176 . -5.559 66.667 44.156 1.00 11.01 ? C ALA A 176 1 -ATOM 1322 O O . ALA A 1 176 . -5.618 67.616 43.404 1.00 14.19 ? O ALA A 176 1 -ATOM 1323 C CB . ALA A 1 176 . -6.152 67.113 46.519 1.00 15.81 ? CB ALA A 176 1 -ATOM 1324 N N . LEU A 1 177 . -4.603 65.740 44.080 1.00 12.4 ? N LEU A 177 1 -ATOM 1325 C CA . LEU A 1 177 . -3.565 65.816 43.039 1.00 15.13 ? CA LEU A 177 1 -ATOM 1326 C C . LEU A 1 177 . -4.202 65.733 41.646 1.00 17.24 ? C LEU A 177 1 -ATOM 1327 O O . LEU A 1 177 . -3.788 66.347 40.668 1.00 19.47 ? O LEU A 177 1 -ATOM 1328 C CB . LEU A 1 177 . -2.537 64.662 43.180 1.00 13.77 ? CB LEU A 177 1 -ATOM 1329 C CG . LEU A 1 177 . -1.163 64.996 43.810 1.00 9.51 ? CG LEU A 177 1 -ATOM 1330 C CD1 . LEU A 1 177 . -1.056 66.379 44.458 1.00 2.74 ? CD1 LEU A 177 1 -ATOM 1331 C CD2 . LEU A 1 177 . -0.756 63.887 44.783 1.00 8.15 ? CD2 LEU A 177 1 -ATOM 1332 N N . GLN A 1 178 . -5.261 64.929 41.573 1.00 17.82 ? N GLN A 178 1 -ATOM 1333 C CA . GLN A 1 178 . -5.959 64.804 40.312 1.00 14.51 ? CA GLN A 178 1 -ATOM 1334 C C . GLN A 1 178 . -6.584 66.124 39.954 1.00 13.43 ? C GLN A 178 1 -ATOM 1335 O O . GLN A 1 178 . -6.358 66.654 38.885 1.00 21.47 ? O GLN A 178 1 -ATOM 1336 C CB . GLN A 1 178 . -7.046 63.733 40.379 1.00 10.61 ? CB GLN A 178 1 -ATOM 1337 C CG . GLN A 1 178 . -7.709 63.438 39.027 1.00 18.8 ? CG GLN A 178 1 -ATOM 1338 C CD . GLN A 1 178 . -6.842 62.486 38.228 1.00 21.16 ? CD GLN A 178 1 -ATOM 1339 O OE1 . GLN A 1 178 . -6.622 61.349 38.610 1.00 25.52 ? OE1 GLN A 178 1 -ATOM 1340 N NE2 . GLN A 1 178 . -6.331 62.966 37.106 1.00 22.73 ? NE2 GLN A 178 1 -ATOM 1341 N N . TRP A 1 179 . -7.383 66.675 40.850 1.00 10.74 ? N TRP A 179 1 -ATOM 1342 C CA . TRP A 1 179 . -8.034 67.945 40.549 1.00 10.13 ? CA TRP A 179 1 -ATOM 1343 C C . TRP A 1 179 . -7.021 68.996 40.155 1.00 12 ? C TRP A 179 1 -ATOM 1344 O O . TRP A 1 179 . -7.252 69.795 39.264 1.00 19.76 ? O TRP A 179 1 -ATOM 1345 C CB . TRP A 1 179 . -8.838 68.399 41.776 1.00 10.49 ? CB TRP A 179 1 -ATOM 1346 C CG . TRP A 1 179 . -9.853 69.491 41.510 1.00 6.08 ? CG TRP A 179 1 -ATOM 1347 C CD1 . TRP A 1 179 . -11.250 69.295 41.381 1.00 9.25 ? CD1 TRP A 179 1 -ATOM 1348 C CD2 . TRP A 1 179 . -9.633 70.880 41.419 1.00 4.45 ? CD2 TRP A 179 1 -ATOM 1349 N NE1 . TRP A 1 179 . -11.899 70.487 41.223 1.00 8.77 ? NE1 TRP A 179 1 -ATOM 1350 C CE2 . TRP A 1 179 . -10.977 71.493 41.236 1.00 2.68 ? CE2 TRP A 179 1 -ATOM 1351 C CE3 . TRP A 1 179 . -8.500 71.697 41.465 1.00 2 ? CE3 TRP A 179 1 -ATOM 1352 C CZ2 . TRP A 1 179 . -11.100 72.872 41.112 1.00 2.18 ? CZ2 TRP A 179 1 -ATOM 1353 C CZ3 . TRP A 1 179 . -8.663 73.088 41.336 1.00 2.57 ? CZ3 TRP A 179 1 -ATOM 1354 C CH2 . TRP A 1 179 . -9.937 73.663 41.165 1.00 2 ? CH2 TRP A 179 1 -ATOM 1355 N N . VAL A 1 180 . -5.873 69.006 40.810 1.00 11.87 ? N VAL A 180 1 -ATOM 1356 C CA . VAL A 1 180 . -4.876 70.004 40.443 1.00 11.64 ? CA VAL A 180 1 -ATOM 1357 C C . VAL A 1 180 . -4.423 69.780 39.005 1.00 14.32 ? C VAL A 180 1 -ATOM 1358 O O . VAL A 1 180 . -4.296 70.711 38.218 1.00 14.72 ? O VAL A 180 1 -ATOM 1359 C CB . VAL A 1 180 . -3.729 69.940 41.459 1.00 5.95 ? CB VAL A 180 1 -ATOM 1360 C CG1 . VAL A 1 180 . -2.492 70.774 41.089 1.00 7.08 ? CG1 VAL A 180 1 -ATOM 1361 C CG2 . VAL A 1 180 . -4.286 70.381 42.817 1.00 9.69 ? CG2 VAL A 180 1 -ATOM 1362 N N . HIS A 1 181 . -4.209 68.510 38.675 1.00 15.12 ? N HIS A 181 1 -ATOM 1363 C CA . HIS A 1 181 . -3.773 68.124 37.336 1.00 17.44 ? CA HIS A 181 1 -ATOM 1364 C C . HIS A 1 181 . -4.755 68.548 36.260 1.00 17.59 ? C HIS A 181 1 -ATOM 1365 O O . HIS A 1 181 . -4.426 69.055 35.200 1.00 21.94 ? O HIS A 181 1 -ATOM 1366 C CB . HIS A 1 181 . -3.624 66.595 37.336 1.00 19.59 ? CB HIS A 181 1 -ATOM 1367 C CG . HIS A 1 181 . -3.014 66.035 36.074 1.00 25.78 ? CG HIS A 181 1 -ATOM 1368 N ND1 . HIS A 1 181 . -3.709 65.319 35.169 1.00 24.3 ? ND1 HIS A 181 1 -ATOM 1369 C CD2 . HIS A 1 181 . -1.650 66.070 35.680 1.00 30.09 ? CD2 HIS A 181 1 -ATOM 1370 C CE1 . HIS A 1 181 . -2.819 64.901 34.257 1.00 31.34 ? CE1 HIS A 181 1 -ATOM 1371 N NE2 . HIS A 1 181 . -1.573 65.342 34.544 1.00 35.14 ? NE2 HIS A 181 1 -ATOM 1372 N N . ASP A 1 182 . -6.016 68.345 36.586 1.00 16.68 ? N ASP A 182 1 -ATOM 1373 C CA . ASP A 1 182 . -7.076 68.676 35.656 1.00 17.41 ? CA ASP A 182 1 -ATOM 1374 C C . ASP A 1 182 . -7.573 70.110 35.729 1.00 19.32 ? C ASP A 182 1 -ATOM 1375 O O . ASP A 1 182 . -8.522 70.425 35.029 1.00 25.05 ? O ASP A 182 1 -ATOM 1376 C CB . ASP A 1 182 . -8.311 67.791 35.923 1.00 16.95 ? CB ASP A 182 1 -ATOM 1377 C CG . ASP A 1 182 . -8.047 66.296 35.756 1.00 24 ? CG ASP A 182 1 -ATOM 1378 O OD1 . ASP A 1 182 . -7.010 65.927 35.196 1.00 26.34 ? OD1 ASP A 182 1 -ATOM 1379 O OD2 . ASP A 1 182 . -8.894 65.503 36.173 1.00 23.74 ? OD2 ASP A 182 1 -ATOM 1380 N N . ASN A 1 183 . -7.035 70.994 36.574 1.00 14.46 ? N ASN A 183 1 -ATOM 1381 C CA . ASN A 1 183 . -7.651 72.321 36.518 1.00 9.77 ? CA ASN A 183 1 -ATOM 1382 C C . ASN A 1 183 . -6.696 73.420 36.867 1.00 14.26 ? C ASN A 183 1 -ATOM 1383 O O . ASN A 1 183 . -7.050 74.589 36.787 1.00 14.61 ? O ASN A 183 1 -ATOM 1384 C CB . ASN A 1 183 . -8.816 72.502 37.490 1.00 7.86 ? CB ASN A 183 1 -ATOM 1385 C CG . ASN A 1 183 . -9.939 71.512 37.343 1.00 13.76 ? CG ASN A 183 1 -ATOM 1386 O OD1 . ASN A 1 183 . -11.011 71.777 36.814 1.00 20.88 ? OD1 ASN A 183 1 -ATOM 1387 N ND2 . ASN A 1 183 . -9.696 70.337 37.881 1.00 19.16 ? ND2 ASN A 183 1 -ATOM 1388 N N . ILE A 1 184 . -5.451 73.094 37.220 1.00 15.04 ? N ILE A 184 1 -ATOM 1389 C CA . ILE A 1 184 . -4.580 74.188 37.591 1.00 15.27 ? CA ILE A 184 1 -ATOM 1390 C C . ILE A 1 184 . -4.324 75.187 36.459 1.00 20.74 ? C ILE A 184 1 -ATOM 1391 O O . ILE A 1 184 . -4.015 76.361 36.670 1.00 24.3 ? O ILE A 184 1 -ATOM 1392 C CB . ILE A 1 184 . -3.371 73.644 38.359 1.00 12.84 ? CB ILE A 184 1 -ATOM 1393 C CG1 . ILE A 1 184 . -2.721 74.747 39.222 1.00 14.79 ? CG1 ILE A 184 1 -ATOM 1394 C CG2 . ILE A 1 184 . -2.389 72.882 37.477 1.00 10.86 ? CG2 ILE A 184 1 -ATOM 1395 C CD1 . ILE A 1 184 . -3.634 75.214 40.373 1.00 14.42 ? CD1 ILE A 184 1 -ATOM 1396 N N . GLN A 1 185 . -4.498 74.683 35.222 1.00 21.09 ? N GLN A 185 1 -ATOM 1397 C CA . GLN A 1 185 . -4.327 75.498 34.020 1.00 18.39 ? CA GLN A 185 1 -ATOM 1398 C C . GLN A 1 185 . -5.223 76.718 34.082 1.00 18.63 ? C GLN A 185 1 -ATOM 1399 O O . GLN A 1 185 . -4.812 77.806 33.720 1.00 20.92 ? O GLN A 185 1 -ATOM 1400 C CB . GLN A 1 185 . -4.637 74.678 32.746 1.00 15.12 ? CB GLN A 185 1 -ATOM 1401 C CG . GLN A 1 185 . -5.989 73.945 32.830 1.00 19.6 ? CG GLN A 185 1 -ATOM 1402 C CD . GLN A 1 185 . -6.305 73.169 31.586 1.00 19.46 ? CD GLN A 185 1 -ATOM 1403 O OE1 . GLN A 1 185 . -6.282 71.952 31.557 1.00 24.41 ? OE1 GLN A 185 1 -ATOM 1404 N NE2 . GLN A 1 185 . -6.625 73.910 30.555 1.00 19.15 ? NE2 GLN A 185 1 -ATOM 1405 N N . PHE A 1 186 . -6.446 76.544 34.602 1.00 13.62 ? N PHE A 186 1 -ATOM 1406 C CA . PHE A 1 186 . -7.335 77.705 34.653 1.00 15.96 ? CA PHE A 186 1 -ATOM 1407 C C . PHE A 1 186 . -6.889 78.759 35.633 1.00 16.69 ? C PHE A 186 1 -ATOM 1408 O O . PHE A 1 186 . -7.435 79.855 35.684 1.00 18.51 ? O PHE A 186 1 -ATOM 1409 C CB . PHE A 1 186 . -8.799 77.332 34.931 1.00 18.39 ? CB PHE A 186 1 -ATOM 1410 C CG . PHE A 1 186 . -9.188 76.212 34.006 1.00 23.7 ? CG PHE A 186 1 -ATOM 1411 C CD1 . PHE A 1 186 . -9.287 76.437 32.624 1.00 23.43 ? CD1 PHE A 186 1 -ATOM 1412 C CD2 . PHE A 1 186 . -9.383 74.923 34.514 1.00 26.04 ? CD2 PHE A 186 1 -ATOM 1413 C CE1 . PHE A 1 186 . -9.560 75.372 31.761 1.00 22.42 ? CE1 PHE A 186 1 -ATOM 1414 C CE2 . PHE A 1 186 . -9.654 73.861 33.652 1.00 23.14 ? CE2 PHE A 186 1 -ATOM 1415 C CZ . PHE A 1 186 . -9.738 74.083 32.274 1.00 23.73 ? CZ PHE A 186 1 -ATOM 1416 N N . PHE A 1 187 . -5.879 78.411 36.429 1.00 15.55 ? N PHE A 187 1 -ATOM 1417 C CA . PHE A 1 187 . -5.357 79.346 37.407 1.00 14.1 ? CA PHE A 187 1 -ATOM 1418 C C . PHE A 1 187 . -3.978 79.810 36.991 1.00 13.32 ? C PHE A 187 1 -ATOM 1419 O O . PHE A 1 187 . -3.339 80.559 37.714 1.00 19.48 ? O PHE A 187 1 -ATOM 1420 C CB . PHE A 1 187 . -5.288 78.723 38.811 1.00 9.5 ? CB PHE A 187 1 -ATOM 1421 C CG . PHE A 1 187 . -6.641 78.300 39.334 1.00 4.66 ? CG PHE A 187 1 -ATOM 1422 C CD1 . PHE A 1 187 . -7.440 79.189 40.061 1.00 6.69 ? CD1 PHE A 187 1 -ATOM 1423 C CD2 . PHE A 1 187 . -7.114 76.999 39.104 1.00 6.8 ? CD2 PHE A 187 1 -ATOM 1424 C CE1 . PHE A 1 187 . -8.689 78.783 40.557 1.00 6.63 ? CE1 PHE A 187 1 -ATOM 1425 C CE2 . PHE A 1 187 . -8.361 76.586 39.595 1.00 5.03 ? CE2 PHE A 187 1 -ATOM 1426 C CZ . PHE A 1 187 . -9.154 77.480 40.325 1.00 3.61 ? CZ PHE A 187 1 -ATOM 1427 N N . GLY A 1 188 . -3.499 79.342 35.845 1.00 8.19 ? N GLY A 188 1 -ATOM 1428 C CA . GLY A 1 188 . -2.186 79.785 35.402 1.00 4.82 ? CA GLY A 188 1 -ATOM 1429 C C . GLY A 1 188 . -1.104 78.791 35.711 1.00 8.15 ? C GLY A 188 1 -ATOM 1430 O O . GLY A 1 188 . 0.080 79.026 35.509 1.00 9.97 ? O GLY A 188 1 -ATOM 1431 N N . GLY A 1 189 . -1.481 77.614 36.203 1.00 8.79 ? N GLY A 189 1 -ATOM 1432 C CA . GLY A 1 189 . -0.411 76.673 36.528 1.00 13.76 ? CA GLY A 189 1 -ATOM 1433 C C . GLY A 1 189 . -0.188 75.661 35.446 1.00 16.62 ? C GLY A 189 1 -ATOM 1434 O O . GLY A 1 189 . -1.086 75.289 34.711 1.00 22.62 ? O GLY A 189 1 -ATOM 1435 N N . ASP A 1 190 . 1.039 75.177 35.352 1.00 15.07 ? N ASP A 190 1 -ATOM 1436 C CA . ASP A 1 190 . 1.391 74.193 34.349 1.00 13.98 ? CA ASP A 190 1 -ATOM 1437 C C . ASP A 1 190 . 1.259 72.804 34.955 1.00 12.79 ? C ASP A 190 1 -ATOM 1438 O O . ASP A 1 190 . 2.108 72.434 35.749 1.00 11.02 ? O ASP A 190 1 -ATOM 1439 C CB . ASP A 1 190 . 2.866 74.426 33.998 1.00 15.65 ? CB ASP A 190 1 -ATOM 1440 C CG . ASP A 1 190 . 3.469 73.435 33.006 1.00 23.99 ? CG ASP A 190 1 -ATOM 1441 O OD1 . ASP A 1 190 . 2.841 72.443 32.626 1.00 21.26 ? OD1 ASP A 190 1 -ATOM 1442 O OD2 . ASP A 1 190 . 4.602 73.669 32.608 1.00 34.62 ? OD2 ASP A 190 1 -ATOM 1443 N N . PRO A 1 191 . 0.259 71.998 34.566 1.00 12.68 ? N PRO A 191 1 -ATOM 1444 C CA . PRO A 1 191 . 0.122 70.660 35.150 1.00 16.22 ? CA PRO A 191 1 -ATOM 1445 C C . PRO A 1 191 . 1.292 69.707 34.980 1.00 19 ? C PRO A 191 1 -ATOM 1446 O O . PRO A 1 191 . 1.365 68.673 35.628 1.00 22.85 ? O PRO A 191 1 -ATOM 1447 C CB . PRO A 1 191 . -1.149 70.073 34.529 1.00 15.2 ? CB PRO A 191 1 -ATOM 1448 C CG . PRO A 1 191 . -1.519 71.005 33.364 1.00 13.76 ? CG PRO A 191 1 -ATOM 1449 C CD . PRO A 1 191 . -0.786 72.335 33.612 1.00 11.62 ? CD PRO A 191 1 -ATOM 1450 N N . LYS A 1 192 . 2.204 70.064 34.084 1.00 21.61 ? N LYS A 192 1 -ATOM 1451 C CA . LYS A 1 192 . 3.363 69.217 33.860 1.00 28.35 ? CA LYS A 192 1 -ATOM 1452 C C . LYS A 1 192 . 4.542 69.661 34.684 1.00 27.64 ? C LYS A 192 1 -ATOM 1453 O O . LYS A 1 192 . 5.659 69.192 34.486 1.00 23.51 ? O LYS A 192 1 -ATOM 1454 C CB . LYS A 1 192 . 3.752 69.154 32.373 1.00 35.92 ? CB LYS A 192 1 -ATOM 1455 C CG . LYS A 1 192 . 2.560 68.817 31.450 1.00 47.01 ? CG LYS A 192 1 -ATOM 1456 C CD . LYS A 1 192 . 1.747 67.549 31.847 1.00 52.79 ? CD LYS A 192 1 -ATOM 1457 C CE . LYS A 1 192 . 0.462 67.361 31.003 1.00 57.95 ? CE LYS A 192 1 -ATOM 1458 N NZ . LYS A 1 192 . -0.422 66.361 31.583 1.00 62 ? NZ LYS A 192 1 -ATOM 1459 N N . THR A 1 193 . 4.303 70.605 35.598 1.00 29.06 ? N THR A 193 1 -ATOM 1460 C CA . THR A 1 193 . 5.398 71.065 36.445 1.00 31.46 ? CA THR A 193 1 -ATOM 1461 C C . THR A 1 193 . 4.927 71.348 37.860 1.00 28.81 ? C THR A 193 1 -ATOM 1462 O O . THR A 1 193 . 5.159 72.434 38.382 1.00 30.32 ? O THR A 193 1 -ATOM 1463 C CB . THR A 1 193 . 6.157 72.253 35.831 1.00 31.79 ? CB THR A 193 1 -ATOM 1464 O OG1 . THR A 1 193 . 6.252 72.054 34.417 1.00 35.69 ? OG1 THR A 193 1 -ATOM 1465 C CG2 . THR A 1 193 . 7.596 72.396 36.364 1.00 33.07 ? CG2 THR A 193 1 -ATOM 1466 N N . VAL A 1 194 . 4.224 70.353 38.450 1.00 27.55 ? N VAL A 194 1 -ATOM 1467 C CA . VAL A 1 194 . 3.775 70.498 39.821 1.00 23.61 ? CA VAL A 194 1 -ATOM 1468 C C . VAL A 1 194 . 4.735 69.675 40.659 1.00 23.2 ? C VAL A 194 1 -ATOM 1469 O O . VAL A 1 194 . 5.070 68.553 40.286 1.00 21.51 ? O VAL A 194 1 -ATOM 1470 C CB . VAL A 1 194 . 2.301 70.058 40.037 1.00 18.62 ? CB VAL A 194 1 -ATOM 1471 C CG1 . VAL A 1 194 . 1.364 70.532 38.913 1.00 23.81 ? CG1 VAL A 194 1 -ATOM 1472 C CG2 . VAL A 1 194 . 2.127 68.549 40.147 1.00 18.56 ? CG2 VAL A 194 1 -ATOM 1473 N N . THR A 1 195 . 5.167 70.242 41.773 1.00 24.74 ? N THR A 195 1 -ATOM 1474 C CA . THR A 1 195 . 6.053 69.596 42.723 1.00 24.42 ? CA THR A 195 1 -ATOM 1475 C C . THR A 1 195 . 5.240 69.404 44.033 1.00 21.5 ? C THR A 195 1 -ATOM 1476 O O . THR A 1 195 . 4.592 70.330 44.517 1.00 23.06 ? O THR A 195 1 -ATOM 1477 C CB . THR A 1 195 . 7.246 70.554 42.929 1.00 25.9 ? CB THR A 195 1 -ATOM 1478 O OG1 . THR A 1 195 . 7.944 70.758 41.698 1.00 26.7 ? OG1 THR A 195 1 -ATOM 1479 C CG2 . THR A 1 195 . 8.274 70.117 43.978 1.00 23.91 ? CG2 THR A 195 1 -ATOM 1480 N N . ILE A 1 196 . 5.234 68.191 44.586 1.00 17.85 ? N ILE A 196 1 -ATOM 1481 C CA . ILE A 1 196 . 4.520 68.008 45.837 1.00 13.44 ? CA ILE A 196 1 -ATOM 1482 C C . ILE A 1 196 . 5.592 68.167 46.934 1.00 17.35 ? C ILE A 196 1 -ATOM 1483 O O . ILE A 1 196 . 6.678 67.597 46.804 1.00 19.81 ? O ILE A 196 1 -ATOM 1484 C CB . ILE A 1 196 . 3.856 66.618 45.882 1.00 4.26 ? CB ILE A 196 1 -ATOM 1485 C CG1 . ILE A 1 196 . 4.785 65.463 45.468 1.00 2 ? CG1 ILE A 196 1 -ATOM 1486 C CG2 . ILE A 1 196 . 2.594 66.612 45.039 1.00 3.52 ? CG2 ILE A 196 1 -ATOM 1487 C CD1 . ILE A 1 196 . 4.190 64.075 45.727 1.00 2 ? CD1 ILE A 196 1 -ATOM 1488 N N . PHE A 1 197 . 5.316 68.960 47.982 1.00 16.41 ? N PHE A 197 1 -ATOM 1489 C CA . PHE A 1 197 . 6.277 69.120 49.077 1.00 15.7 ? CA PHE A 197 1 -ATOM 1490 C C . PHE A 1 197 . 5.505 68.817 50.347 1.00 16.69 ? C PHE A 197 1 -ATOM 1491 O O . PHE A 1 197 . 4.294 68.990 50.354 1.00 20.3 ? O PHE A 197 1 -ATOM 1492 C CB . PHE A 1 197 . 7.093 70.444 49.051 1.00 14.78 ? CB PHE A 197 1 -ATOM 1493 C CG . PHE A 1 197 . 6.459 71.814 49.265 1.00 11.75 ? CG PHE A 197 1 -ATOM 1494 C CD1 . PHE A 1 197 . 5.179 72.144 48.782 1.00 8.99 ? CD1 PHE A 197 1 -ATOM 1495 C CD2 . PHE A 1 197 . 7.204 72.808 49.944 1.00 6.26 ? CD2 PHE A 197 1 -ATOM 1496 C CE1 . PHE A 1 197 . 4.653 73.437 48.985 1.00 9.05 ? CE1 PHE A 197 1 -ATOM 1497 C CE2 . PHE A 1 197 . 6.683 74.095 50.142 1.00 5.01 ? CE2 PHE A 197 1 -ATOM 1498 C CZ . PHE A 1 197 . 5.400 74.412 49.668 1.00 4.37 ? CZ PHE A 197 1 -ATOM 1499 N N . GLY A 1 198 . 6.169 68.335 51.407 1.00 17.51 ? N GLY A 198 1 -ATOM 1500 C CA . GLY A 1 198 . 5.440 68.026 52.652 1.00 14.35 ? CA GLY A 198 1 -ATOM 1501 C C . GLY A 1 198 . 6.441 67.752 53.757 1.00 12.67 ? C GLY A 198 1 -ATOM 1502 O O . GLY A 1 198 . 7.595 67.431 53.481 1.00 7.51 ? O GLY A 198 1 -ATOM 1503 N N . GLU A 1 199 . 6.002 67.858 55.024 1.00 13.87 ? N GLU A 199 1 -ATOM 1504 C CA . GLU A 1 199 . 6.901 67.638 56.174 1.00 11.81 ? CA GLU A 199 1 -ATOM 1505 C C . GLU A 1 199 . 6.361 66.609 57.156 1.00 12.2 ? C GLU A 199 1 -ATOM 1506 O O . GLU A 1 199 . 5.153 66.503 57.326 1.00 13.4 ? O GLU A 199 1 -ATOM 1507 C CB . GLU A 1 199 . 7.090 68.986 56.878 1.00 11 ? CB GLU A 199 1 -ATOM 1508 C CG . GLU A 1 199 . 8.063 69.009 58.069 1.00 16 ? CG GLU A 199 1 -ATOM 1509 C CD . GLU A 1 199 . 7.362 68.769 59.401 1.00 15.2 ? CD GLU A 199 1 -ATOM 1510 O OE1 . GLU A 1 199 . 6.154 68.632 59.412 1.00 17.52 ? OE1 GLU A 199 1 -ATOM 1511 O OE2 . GLU A 1 199 . 8.012 68.711 60.431 1.00 11.72 ? OE2 GLU A 199 1 -ATOM 1512 N N . SER A 1 200 . 7.242 65.857 57.833 1.00 11.87 ? N SER A 200 1 -ATOM 1513 C CA . SER A 1 200 . 6.778 64.855 58.793 1.00 12.54 ? CA SER A 200 1 -ATOM 1514 C C . SER A 1 200 . 5.938 63.860 58.001 1.00 12.69 ? C SER A 200 1 -ATOM 1515 O O . SER A 1 200 . 6.403 63.292 57.025 1.00 15.4 ? O SER A 200 1 -ATOM 1516 C CB . SER A 1 200 . 6.151 65.519 60.050 1.00 13.3 ? CB SER A 200 1 -ATOM 1517 O OG . SER A 1 200 . 5.634 64.653 61.093 1.00 21.59 ? OG SER A 200 1 -ATOM 1518 N N . ALA A 1 201 . 4.675 63.680 58.393 1.00 11.48 ? N ALA A 201 1 -ATOM 1519 C CA . ALA A 1 201 . 3.821 62.741 57.676 1.00 10.52 ? CA ALA A 201 1 -ATOM 1520 C C . ALA A 1 201 . 3.596 63.203 56.250 1.00 13.66 ? C ALA A 201 1 -ATOM 1521 O O . ALA A 1 201 . 3.349 62.402 55.369 1.00 17.28 ? O ALA A 201 1 -ATOM 1522 C CB . ALA A 1 201 . 2.477 62.545 58.374 1.00 10.33 ? CB ALA A 201 1 -ATOM 1523 N N . GLY A 1 202 . 3.704 64.518 56.030 1.00 12.24 ? N GLY A 202 1 -ATOM 1524 C CA . GLY A 1 202 . 3.539 65.025 54.675 1.00 12.84 ? CA GLY A 202 1 -ATOM 1525 C C . GLY A 1 202 . 4.710 64.547 53.834 1.00 14.34 ? C GLY A 202 1 -ATOM 1526 O O . GLY A 1 202 . 4.568 64.000 52.754 1.00 18.23 ? O GLY A 202 1 -ATOM 1527 N N . GLY A 1 203 . 5.918 64.706 54.373 1.00 9.95 ? N GLY A 203 1 -ATOM 1528 C CA . GLY A 1 203 . 7.081 64.248 53.628 1.00 6.16 ? CA GLY A 203 1 -ATOM 1529 C C . GLY A 1 203 . 7.043 62.740 53.414 1.00 3.97 ? C GLY A 203 1 -ATOM 1530 O O . GLY A 1 203 . 7.506 62.188 52.429 1.00 7.91 ? O GLY A 203 1 -ATOM 1531 N N . ALA A 1 204 . 6.469 62.029 54.374 1.00 4.18 ? N ALA A 204 1 -ATOM 1532 C CA . ALA A 1 204 . 6.396 60.587 54.173 1.00 5.94 ? CA ALA A 204 1 -ATOM 1533 C C . ALA A 1 204 . 5.338 60.269 53.101 1.00 6.82 ? C ALA A 204 1 -ATOM 1534 O O . ALA A 1 204 . 5.487 59.338 52.319 1.00 10.15 ? O ALA A 204 1 -ATOM 1535 C CB . ALA A 1 204 . 6.106 59.837 55.485 1.00 4.71 ? CB ALA A 204 1 -ATOM 1536 N N . SER A 1 205 . 4.261 61.055 53.073 1.00 5.33 ? N SER A 205 1 -ATOM 1537 C CA . SER A 1 205 . 3.218 60.858 52.077 1.00 5.86 ? CA SER A 205 1 -ATOM 1538 C C . SER A 1 205 . 3.780 61.076 50.653 1.00 8.2 ? C SER A 205 1 -ATOM 1539 O O . SER A 1 205 . 3.547 60.320 49.715 1.00 8.05 ? O SER A 205 1 -ATOM 1540 C CB . SER A 1 205 . 2.075 61.857 52.346 1.00 7.72 ? CB SER A 205 1 -ATOM 1541 O OG . SER A 1 205 . 1.365 61.451 53.513 1.00 5.9 ? OG SER A 205 1 -ATOM 1542 N N . VAL A 1 206 . 4.566 62.146 50.515 1.00 6.12 ? N VAL A 206 1 -ATOM 1543 C CA . VAL A 1 206 . 5.196 62.469 49.256 1.00 2 ? CA VAL A 206 1 -ATOM 1544 C C . VAL A 1 206 . 5.972 61.252 48.764 1.00 3.78 ? C VAL A 206 1 -ATOM 1545 O O . VAL A 1 206 . 5.787 60.752 47.665 1.00 11.42 ? O VAL A 206 1 -ATOM 1546 C CB . VAL A 1 206 . 6.055 63.713 49.507 1.00 2 ? CB VAL A 206 1 -ATOM 1547 C CG1 . VAL A 1 206 . 7.097 63.956 48.444 1.00 2 ? CG1 VAL A 206 1 -ATOM 1548 C CG2 . VAL A 1 206 . 5.182 64.976 49.697 1.00 2 ? CG2 VAL A 206 1 -ATOM 1549 N N . GLY A 1 207 . 6.842 60.733 49.604 1.00 4.92 ? N GLY A 207 1 -ATOM 1550 C CA . GLY A 1 207 . 7.560 59.553 49.153 1.00 5.92 ? CA GLY A 207 1 -ATOM 1551 C C . GLY A 1 207 . 6.625 58.386 48.855 1.00 8.28 ? C GLY A 207 1 -ATOM 1552 O O . GLY A 1 207 . 6.941 57.511 48.058 1.00 10.84 ? O GLY A 207 1 -ATOM 1553 N N . MET A 1 208 . 5.454 58.370 49.497 1.00 7.2 ? N MET A 208 1 -ATOM 1554 C CA . MET A 1 208 . 4.528 57.283 49.206 1.00 13.02 ? CA MET A 208 1 -ATOM 1555 C C . MET A 1 208 . 3.913 57.475 47.828 1.00 14.81 ? C MET A 208 1 -ATOM 1556 O O . MET A 1 208 . 3.509 56.511 47.199 1.00 18.28 ? O MET A 208 1 -ATOM 1557 C CB . MET A 1 208 . 3.466 57.097 50.302 1.00 12.68 ? CB MET A 208 1 -ATOM 1558 C CG . MET A 1 208 . 4.136 56.577 51.591 1.00 17.91 ? CG MET A 208 1 -ATOM 1559 S SD . MET A 1 208 . 3.052 56.711 53.030 1.00 20.21 ? SD MET A 208 1 -ATOM 1560 C CE . MET A 1 208 . 3.906 55.526 54.098 1.00 20.24 ? CE MET A 208 1 -ATOM 1561 N N . HIS A 1 209 . 3.848 58.718 47.340 1.00 14.66 ? N HIS A 209 1 -ATOM 1562 C CA . HIS A 1 209 . 3.291 58.947 45.996 1.00 11.19 ? CA HIS A 209 1 -ATOM 1563 C C . HIS A 1 209 . 4.358 58.572 44.978 1.00 11.42 ? C HIS A 209 1 -ATOM 1564 O O . HIS A 1 209 . 4.084 58.017 43.928 1.00 14.54 ? O HIS A 209 1 -ATOM 1565 C CB . HIS A 1 209 . 2.747 60.365 45.814 1.00 5.09 ? CB HIS A 209 1 -ATOM 1566 C CG . HIS A 1 209 . 1.485 60.551 46.643 1.00 10.19 ? CG HIS A 209 1 -ATOM 1567 N ND1 . HIS A 1 209 . 1.229 61.615 47.439 1.00 6.95 ? ND1 HIS A 209 1 -ATOM 1568 C CD2 . HIS A 1 209 . 0.350 59.703 46.712 1.00 11.14 ? CD2 HIS A 209 1 -ATOM 1569 C CE1 . HIS A 1 209 . -0.001 61.438 47.940 1.00 5.74 ? CE1 HIS A 209 1 -ATOM 1570 N NE2 . HIS A 1 209 . -0.557 60.293 47.518 1.00 9.38 ? NE2 HIS A 209 1 -ATOM 1571 N N . ILE A 1 210 . 5.610 58.860 45.305 1.00 6.53 ? N ILE A 210 1 -ATOM 1572 C CA . ILE A 1 210 . 6.673 58.440 44.411 1.00 3.94 ? CA ILE A 210 1 -ATOM 1573 C C . ILE A 1 210 . 6.668 56.913 44.266 1.00 5.37 ? C ILE A 210 1 -ATOM 1574 O O . ILE A 1 210 . 7.180 56.400 43.284 1.00 6.16 ? O ILE A 210 1 -ATOM 1575 C CB . ILE A 1 210 . 8.032 58.884 45.019 1.00 2 ? CB ILE A 210 1 -ATOM 1576 C CG1 . ILE A 1 210 . 8.188 60.403 44.963 1.00 2 ? CG1 ILE A 210 1 -ATOM 1577 C CG2 . ILE A 1 210 . 9.267 58.176 44.438 1.00 2 ? CG2 ILE A 210 1 -ATOM 1578 C CD1 . ILE A 1 210 . 9.641 60.860 45.130 1.00 2 ? CD1 ILE A 210 1 -ATOM 1579 N N . LEU A 1 211 . 6.136 56.196 45.270 1.00 9.23 ? N LEU A 211 1 -ATOM 1580 C CA . LEU A 1 211 . 6.130 54.723 45.227 1.00 11.06 ? CA LEU A 211 1 -ATOM 1581 C C . LEU A 1 211 . 4.860 54.134 44.636 1.00 10.95 ? C LEU A 211 1 -ATOM 1582 O O . LEU A 1 211 . 4.847 53.175 43.886 1.00 11.23 ? O LEU A 211 1 -ATOM 1583 C CB . LEU A 1 211 . 6.248 54.128 46.660 1.00 12.8 ? CB LEU A 211 1 -ATOM 1584 C CG . LEU A 1 211 . 7.587 54.369 47.402 1.00 13.52 ? CG LEU A 211 1 -ATOM 1585 C CD1 . LEU A 1 211 . 7.445 54.183 48.916 1.00 17.51 ? CD1 LEU A 211 1 -ATOM 1586 C CD2 . LEU A 1 211 . 8.665 53.413 46.916 1.00 12.1 ? CD2 LEU A 211 1 -ATOM 1587 N N . SER A 1 212 . 3.736 54.704 45.013 1.00 14.7 ? N SER A 212 1 -ATOM 1588 C CA . SER A 1 212 . 2.476 54.173 44.523 1.00 14.5 ? CA SER A 212 1 -ATOM 1589 C C . SER A 1 212 . 2.337 54.386 43.025 1.00 21.75 ? C SER A 212 1 -ATOM 1590 O O . SER A 1 212 . 2.259 55.534 42.568 1.00 21.93 ? O SER A 212 1 -ATOM 1591 C CB . SER A 1 212 . 1.355 54.934 45.211 1.00 15.12 ? CB SER A 212 1 -ATOM 1592 O OG . SER A 1 212 . 0.118 54.303 44.978 1.00 13.22 ? OG SER A 212 1 -ATOM 1593 N N . PRO A 1 213 . 2.192 53.264 42.271 1.00 23.23 ? N PRO A 213 1 -ATOM 1594 C CA . PRO A 1 213 . 1.945 53.349 40.829 1.00 21.02 ? CA PRO A 213 1 -ATOM 1595 C C . PRO A 1 213 . 0.849 54.321 40.459 1.00 19.13 ? C PRO A 213 1 -ATOM 1596 O O . PRO A 1 213 . 1.017 55.184 39.612 1.00 27.56 ? O PRO A 213 1 -ATOM 1597 C CB . PRO A 1 213 . 1.602 51.919 40.393 1.00 20.29 ? CB PRO A 213 1 -ATOM 1598 C CG . PRO A 1 213 . 2.090 51.014 41.535 1.00 28 ? CG PRO A 213 1 -ATOM 1599 C CD . PRO A 1 213 . 2.252 51.897 42.783 1.00 25.05 ? CD PRO A 213 1 -ATOM 1600 N N . GLY A 1 214 . -0.279 54.169 41.142 1.00 14.82 ? N GLY A 214 1 -ATOM 1601 C CA . GLY A 1 214 . -1.396 55.057 40.855 1.00 11.73 ? CA GLY A 214 1 -ATOM 1602 C C . GLY A 1 214 . -1.131 56.562 40.981 1.00 16.73 ? C GLY A 214 1 -ATOM 1603 O O . GLY A 1 214 . -1.838 57.366 40.392 1.00 18.79 ? O GLY A 214 1 -ATOM 1604 N N . SER A 1 215 . -0.120 56.979 41.746 1.00 17.16 ? N SER A 215 1 -ATOM 1605 C CA . SER A 1 215 . 0.068 58.425 41.839 1.00 16.69 ? CA SER A 215 1 -ATOM 1606 C C . SER A 1 215 . 1.252 58.958 41.067 1.00 16.13 ? C SER A 215 1 -ATOM 1607 O O . SER A 1 215 . 1.328 60.161 40.835 1.00 15.15 ? O SER A 215 1 -ATOM 1608 C CB . SER A 1 215 . 0.333 58.824 43.298 1.00 18.02 ? CB SER A 215 1 -ATOM 1609 O OG . SER A 1 215 . -0.780 58.428 44.069 1.00 16.1 ? OG SER A 215 1 -ATOM 1610 N N . ARG A 1 216 . 2.166 58.067 40.662 1.00 11.76 ? N ARG A 216 1 -ATOM 1611 C CA . ARG A 1 216 . 3.365 58.553 39.993 1.00 7.47 ? CA ARG A 216 1 -ATOM 1612 C C . ARG A 1 216 . 3.154 59.544 38.901 1.00 12.43 ? C ARG A 216 1 -ATOM 1613 O O . ARG A 1 216 . 4.003 60.381 38.658 1.00 13.54 ? O ARG A 216 1 -ATOM 1614 C CB . ARG A 1 216 . 4.172 57.414 39.365 1.00 3.07 ? CB ARG A 216 1 -ATOM 1615 C CG . ARG A 1 216 . 4.511 56.315 40.358 1.00 4.23 ? CG ARG A 216 1 -ATOM 1616 C CD . ARG A 1 216 . 5.389 55.216 39.790 1.00 3.04 ? CD ARG A 216 1 -ATOM 1617 N NE . ARG A 1 216 . 5.359 54.129 40.725 1.00 5.69 ? NE ARG A 216 1 -ATOM 1618 C CZ . ARG A 1 216 . 5.964 52.959 40.550 1.00 11.34 ? CZ ARG A 216 1 -ATOM 1619 N NH1 . ARG A 1 216 . 6.790 52.725 39.536 1.00 14.95 ? NH1 ARG A 216 1 -ATOM 1620 N NH2 . ARG A 1 216 . 5.701 52.009 41.433 1.00 13.59 ? NH2 ARG A 216 1 -ATOM 1621 N N . ASP A 1 217 . 2.000 59.449 38.236 1.00 15 ? N ASP A 217 1 -ATOM 1622 C CA . ASP A 1 217 . 1.829 60.353 37.105 1.00 19.24 ? CA ASP A 217 1 -ATOM 1623 C C . ASP A 1 217 . 1.248 61.740 37.367 1.00 18.74 ? C ASP A 217 1 -ATOM 1624 O O . ASP A 1 217 . 1.229 62.518 36.421 1.00 21.91 ? O ASP A 217 1 -ATOM 1625 C CB . ASP A 1 217 . 0.959 59.675 36.016 1.00 23.06 ? CB ASP A 217 1 -ATOM 1626 C CG . ASP A 1 217 . 1.414 58.278 35.549 1.00 25.62 ? CG ASP A 217 1 -ATOM 1627 O OD1 . ASP A 1 217 . 2.548 57.880 35.829 1.00 22.78 ? OD1 ASP A 217 1 -ATOM 1628 O OD2 . ASP A 1 217 . 0.623 57.592 34.893 1.00 22.82 ? OD2 ASP A 217 1 -ATOM 1629 N N . LEU A 1 218 . 0.777 62.060 38.588 1.00 16.28 ? N LEU A 218 1 -ATOM 1630 C CA . LEU A 1 218 . 0.167 63.379 38.791 1.00 7.33 ? CA LEU A 218 1 -ATOM 1631 C C . LEU A 1 218 . 1.103 64.435 39.320 1.00 6.79 ? C LEU A 218 1 -ATOM 1632 O O . LEU A 1 218 . 0.637 65.480 39.781 1.00 8.66 ? O LEU A 218 1 -ATOM 1633 C CB . LEU A 1 218 . -1.065 63.315 39.710 1.00 4.41 ? CB LEU A 218 1 -ATOM 1634 C CG . LEU A 1 218 . -2.056 62.222 39.286 1.00 5.15 ? CG LEU A 218 1 -ATOM 1635 C CD1 . LEU A 1 218 . -1.925 61.003 40.179 1.00 12.78 ? CD1 LEU A 218 1 -ATOM 1636 C CD2 . LEU A 1 218 . -3.501 62.692 39.304 1.00 9.62 ? CD2 LEU A 218 1 -ATOM 1637 N N . PHE A 1 219 . 2.408 64.162 39.300 1.00 2 ? N PHE A 219 1 -ATOM 1638 C CA . PHE A 1 219 . 3.315 65.184 39.796 1.00 3.78 ? CA PHE A 219 1 -ATOM 1639 C C . PHE A 1 219 . 4.652 64.960 39.090 1.00 6.87 ? C PHE A 219 1 -ATOM 1640 O O . PHE A 1 219 . 4.892 63.889 38.535 1.00 2 ? O PHE A 219 1 -ATOM 1641 C CB . PHE A 1 219 . 3.368 65.195 41.347 1.00 3.53 ? CB PHE A 219 1 -ATOM 1642 C CG . PHE A 1 219 . 3.986 63.928 41.898 1.00 2 ? CG PHE A 219 1 -ATOM 1643 C CD1 . PHE A 1 219 . 3.212 62.771 42.060 1.00 2 ? CD1 PHE A 219 1 -ATOM 1644 C CD2 . PHE A 1 219 . 5.364 63.892 42.168 1.00 2 ? CD2 PHE A 219 1 -ATOM 1645 C CE1 . PHE A 1 219 . 3.828 61.581 42.454 1.00 2 ? CE1 PHE A 219 1 -ATOM 1646 C CE2 . PHE A 1 219 . 5.977 62.707 42.564 1.00 2 ? CE2 PHE A 219 1 -ATOM 1647 C CZ . PHE A 1 219 . 5.206 61.550 42.701 1.00 2 ? CZ PHE A 219 1 -ATOM 1648 N N . ARG A 1 220 . 5.515 65.991 39.120 1.00 6.39 ? N ARG A 220 1 -ATOM 1649 C CA . ARG A 1 220 . 6.808 65.884 38.440 1.00 9.97 ? CA ARG A 220 1 -ATOM 1650 C C . ARG A 1 220 . 7.912 65.556 39.397 1.00 14.43 ? C ARG A 220 1 -ATOM 1651 O O . ARG A 1 220 . 8.466 64.473 39.360 1.00 18.16 ? O ARG A 220 1 -ATOM 1652 C CB . ARG A 1 220 . 7.108 67.173 37.640 1.00 12.04 ? CB ARG A 220 1 -ATOM 1653 C CG . ARG A 1 220 . 8.271 67.027 36.635 1.00 15.91 ? CG ARG A 220 1 -ATOM 1654 C CD . ARG A 1 220 . 8.000 67.797 35.337 1.00 19.43 ? CD ARG A 220 1 -ATOM 1655 N NE . ARG A 1 220 . 9.148 67.726 34.445 1.00 22.8 ? NE ARG A 220 1 -ATOM 1656 C CZ . ARG A 1 220 . 9.270 68.564 33.400 1.00 22.42 ? CZ ARG A 220 1 -ATOM 1657 N NH1 . ARG A 1 220 . 8.375 69.516 33.153 1.00 20.61 ? NH1 ARG A 220 1 -ATOM 1658 N NH2 . ARG A 1 220 . 10.321 68.455 32.605 1.00 25.46 ? NH2 ARG A 220 1 -ATOM 1659 N N . ARG A 1 221 . 8.195 66.527 40.276 1.00 17.89 ? N ARG A 221 1 -ATOM 1660 C CA . ARG A 1 221 . 9.258 66.383 41.266 1.00 17.22 ? CA ARG A 221 1 -ATOM 1661 C C . ARG A 1 221 . 8.644 66.313 42.658 1.00 17.46 ? C ARG A 221 1 -ATOM 1662 O O . ARG A 1 221 . 7.445 66.512 42.819 1.00 17.58 ? O ARG A 221 1 -ATOM 1663 C CB . ARG A 1 221 . 10.161 67.625 41.216 1.00 19.05 ? CB ARG A 221 1 -ATOM 1664 C CG . ARG A 1 221 . 10.647 68.028 39.816 1.00 16.37 ? CG ARG A 221 1 -ATOM 1665 C CD . ARG A 1 221 . 11.060 69.518 39.785 1.00 28.68 ? CD ARG A 221 1 -ATOM 1666 N NE . ARG A 1 221 . 10.931 70.103 38.460 1.00 33.55 ? NE ARG A 221 1 -ATOM 1667 C CZ . ARG A 1 221 . 11.679 69.665 37.455 1.00 35.29 ? CZ ARG A 221 1 -ATOM 1668 N NH1 . ARG A 1 221 . 12.631 68.772 37.692 1.00 34.37 ? NH1 ARG A 221 1 -ATOM 1669 N NH2 . ARG A 1 221 . 11.456 70.112 36.218 1.00 36.84 ? NH2 ARG A 221 1 -ATOM 1670 N N . ALA A 1 222 . 9.486 66.088 43.675 1.00 15.7 ? N ALA A 222 1 -ATOM 1671 C CA . ALA A 1 222 . 8.963 66.034 45.036 1.00 13.29 ? CA ALA A 222 1 -ATOM 1672 C C . ALA A 1 222 . 10.009 66.556 46.017 1.00 13.23 ? C ALA A 222 1 -ATOM 1673 O O . ALA A 1 222 . 11.200 66.445 45.737 1.00 14.05 ? O ALA A 222 1 -ATOM 1674 C CB . ALA A 1 222 . 8.669 64.583 45.397 1.00 9.62 ? CB ALA A 222 1 -ATOM 1675 N N . ILE A 1 223 . 9.543 67.114 47.149 1.00 13.4 ? N ILE A 223 1 -ATOM 1676 C CA . ILE A 1 223 . 10.397 67.622 48.233 1.00 11.2 ? CA ILE A 223 1 -ATOM 1677 C C . ILE A 1 223 . 9.900 66.909 49.494 1.00 11.06 ? C ILE A 223 1 -ATOM 1678 O O . ILE A 1 223 . 8.696 66.894 49.755 1.00 9.43 ? O ILE A 223 1 -ATOM 1679 C CB . ILE A 1 223 . 10.267 69.139 48.446 1.00 7.01 ? CB ILE A 223 1 -ATOM 1680 C CG1 . ILE A 1 223 . 10.630 69.951 47.196 1.00 8.53 ? CG1 ILE A 223 1 -ATOM 1681 C CG2 . ILE A 1 223 . 11.073 69.602 49.656 1.00 6.83 ? CG2 ILE A 223 1 -ATOM 1682 C CD1 . ILE A 1 223 . 10.706 71.477 47.400 1.00 2 ? CD1 ILE A 223 1 -ATOM 1683 N N . LEU A 1 224 . 10.832 66.364 50.282 1.00 10.82 ? N LEU A 224 1 -ATOM 1684 C CA . LEU A 1 224 . 10.454 65.636 51.504 1.00 10.14 ? CA LEU A 224 1 -ATOM 1685 C C . LEU A 1 224 . 11.186 66.286 52.662 1.00 7.47 ? C LEU A 224 1 -ATOM 1686 O O . LEU A 1 224 . 12.407 66.353 52.657 1.00 8.76 ? O LEU A 224 1 -ATOM 1687 C CB . LEU A 1 224 . 10.856 64.138 51.432 1.00 9.75 ? CB LEU A 224 1 -ATOM 1688 C CG . LEU A 1 224 . 10.162 63.329 50.311 1.00 4.79 ? CG LEU A 224 1 -ATOM 1689 C CD1 . LEU A 1 224 . 10.817 63.512 48.939 1.00 5.18 ? CD1 LEU A 224 1 -ATOM 1690 C CD2 . LEU A 1 224 . 10.126 61.833 50.641 1.00 2 ? CD2 LEU A 224 1 -ATOM 1691 N N . GLN A 1 225 . 10.441 66.772 53.661 1.00 6.25 ? N GLN A 225 1 -ATOM 1692 C CA . GLN A 1 225 . 11.071 67.435 54.809 1.00 5.17 ? CA GLN A 225 1 -ATOM 1693 C C . GLN A 1 225 . 10.840 66.600 56.068 1.00 5.65 ? C GLN A 225 1 -ATOM 1694 O O . GLN A 1 225 . 9.703 66.387 56.488 1.00 4.29 ? O GLN A 225 1 -ATOM 1695 C CB . GLN A 1 225 . 10.491 68.867 54.981 1.00 6.19 ? CB GLN A 225 1 -ATOM 1696 C CG . GLN A 1 225 . 10.039 69.499 53.638 1.00 9.69 ? CG GLN A 225 1 -ATOM 1697 C CD . GLN A 1 225 . 9.983 71.001 53.631 1.00 7.42 ? CD GLN A 225 1 -ATOM 1698 O OE1 . GLN A 1 225 . 8.963 71.660 53.579 1.00 11.52 ? OE1 GLN A 225 1 -ATOM 1699 N NE2 . GLN A 1 225 . 11.165 71.555 53.655 1.00 14.31 ? NE2 GLN A 225 1 -ATOM 1700 N N . SER A 1 226 . 11.935 66.119 56.667 1.00 7.22 ? N SER A 226 1 -ATOM 1701 C CA . SER A 1 226 . 11.870 65.309 57.882 1.00 7.97 ? CA SER A 226 1 -ATOM 1702 C C . SER A 1 226 . 10.855 64.187 57.790 1.00 9.27 ? C SER A 226 1 -ATOM 1703 O O . SER A 1 226 . 10.069 63.996 58.704 1.00 14.08 ? O SER A 226 1 -ATOM 1704 C CB . SER A 1 226 . 11.509 66.207 59.087 1.00 9.13 ? CB SER A 226 1 -ATOM 1705 O OG . SER A 1 226 . 12.345 67.380 59.155 1.00 17.16 ? OG SER A 226 1 -ATOM 1706 N N . GLY A 1 227 . 10.841 63.453 56.686 1.00 9.93 ? N GLY A 227 1 -ATOM 1707 C CA . GLY A 1 227 . 9.866 62.365 56.553 1.00 10 ? CA GLY A 227 1 -ATOM 1708 C C . GLY A 1 227 . 10.398 61.422 55.485 1.00 9.65 ? C GLY A 227 1 -ATOM 1709 O O . GLY A 1 227 . 11.241 61.798 54.678 1.00 9.92 ? O GLY A 227 1 -ATOM 1710 N N . SER A 1 228 . 9.934 60.186 55.475 1.00 4.61 ? N SER A 228 1 -ATOM 1711 C CA . SER A 1 228 . 10.456 59.283 54.477 1.00 4.86 ? CA SER A 228 1 -ATOM 1712 C C . SER A 1 228 . 9.499 58.143 54.546 1.00 8.96 ? C SER A 228 1 -ATOM 1713 O O . SER A 1 228 . 9.098 57.836 55.653 1.00 14.21 ? O SER A 228 1 -ATOM 1714 C CB . SER A 1 228 . 11.860 58.847 54.901 1.00 2.4 ? CB SER A 228 1 -ATOM 1715 O OG . SER A 1 228 . 12.576 58.342 53.834 1.00 10.54 ? OG SER A 228 1 -ATOM 1716 N N . PRO A 1 229 . 9.076 57.527 53.426 1.00 11.99 ? N PRO A 229 1 -ATOM 1717 C CA . PRO A 1 229 . 7.931 56.615 53.484 1.00 9.6 ? CA PRO A 229 1 -ATOM 1718 C C . PRO A 1 229 . 8.277 55.397 54.298 1.00 7.79 ? C PRO A 229 1 -ATOM 1719 O O . PRO A 1 229 . 7.446 54.725 54.874 1.00 10.9 ? O PRO A 229 1 -ATOM 1720 C CB . PRO A 1 229 . 7.694 56.249 52.014 1.00 10.02 ? CB PRO A 229 1 -ATOM 1721 C CG . PRO A 1 229 . 9.027 56.508 51.286 1.00 11.62 ? CG PRO A 229 1 -ATOM 1722 C CD . PRO A 1 229 . 9.709 57.613 52.107 1.00 11.57 ? CD PRO A 229 1 -ATOM 1723 N N . ASN A 1 230 . 9.573 55.114 54.322 1.00 7.25 ? N ASN A 230 1 -ATOM 1724 C CA . ASN A 1 230 . 10.101 53.963 55.035 1.00 6.94 ? CA ASN A 230 1 -ATOM 1725 C C . ASN A 1 230 . 10.359 54.238 56.512 1.00 9.37 ? C ASN A 230 1 -ATOM 1726 O O . ASN A 1 230 . 10.986 53.433 57.193 1.00 15.47 ? O ASN A 230 1 -ATOM 1727 C CB . ASN A 1 230 . 11.407 53.456 54.369 1.00 2 ? CB ASN A 230 1 -ATOM 1728 C CG . ASN A 1 230 . 12.516 54.501 54.448 1.00 6.77 ? CG ASN A 230 1 -ATOM 1729 O OD1 . ASN A 1 230 . 12.303 55.690 54.241 1.00 2 ? OD1 ASN A 230 1 -ATOM 1730 N ND2 . ASN A 1 230 . 13.720 54.047 54.770 1.00 11.81 ? ND2 ASN A 230 1 -ATOM 1731 N N . CYS A 1 231 . 9.937 55.401 57.009 1.00 7.38 ? N CYS A 231 1 -ATOM 1732 C CA . CYS A 1 231 . 10.172 55.654 58.423 1.00 5.55 ? CA CYS A 231 1 -ATOM 1733 C C . CYS A 1 231 . 9.274 54.707 59.206 1.00 7.9 ? C CYS A 231 1 -ATOM 1734 O O . CYS A 1 231 . 8.155 54.482 58.758 1.00 6.82 ? O CYS A 231 1 -ATOM 1735 C CB . CYS A 1 231 . 9.735 57.072 58.763 1.00 2.72 ? CB CYS A 231 1 -ATOM 1736 S SG . CYS A 1 231 . 10.980 58.262 58.302 1.00 16.21 ? SG CYS A 231 1 -ATOM 1737 N N . PRO A 1 232 . 9.742 54.211 60.387 1.00 6.94 ? N PRO A 232 1 -ATOM 1738 C CA . PRO A 1 232 . 9.078 53.113 61.078 1.00 6.07 ? CA PRO A 232 1 -ATOM 1739 C C . PRO A 1 232 . 7.696 53.428 61.555 1.00 10.04 ? C PRO A 232 1 -ATOM 1740 O O . PRO A 1 232 . 6.866 52.567 61.792 1.00 14.91 ? O PRO A 232 1 -ATOM 1741 C CB . PRO A 1 232 . 9.964 52.840 62.296 1.00 3.63 ? CB PRO A 232 1 -ATOM 1742 C CG . PRO A 1 232 . 10.918 54.028 62.451 1.00 2 ? CG PRO A 232 1 -ATOM 1743 C CD . PRO A 1 232 . 10.904 54.738 61.101 1.00 6.31 ? CD PRO A 232 1 -ATOM 1744 N N . TRP A 1 233 . 7.475 54.719 61.733 1.00 10.65 ? N TRP A 233 1 -ATOM 1745 C CA . TRP A 1 233 . 6.176 55.128 62.214 1.00 10.28 ? CA TRP A 233 1 -ATOM 1746 C C . TRP A 1 233 . 5.197 55.439 61.106 1.00 12.09 ? C TRP A 233 1 -ATOM 1747 O O . TRP A 1 233 . 4.084 55.868 61.389 1.00 15.11 ? O TRP A 233 1 -ATOM 1748 C CB . TRP A 1 233 . 6.341 56.372 63.088 1.00 7.96 ? CB TRP A 233 1 -ATOM 1749 C CG . TRP A 1 233 . 7.222 57.386 62.399 1.00 7 ? CG TRP A 233 1 -ATOM 1750 C CD1 . TRP A 1 233 . 8.621 57.518 62.583 1.00 9.69 ? CD1 TRP A 233 1 -ATOM 1751 C CD2 . TRP A 1 233 . 6.822 58.383 61.495 1.00 5.75 ? CD2 TRP A 233 1 -ATOM 1752 N NE1 . TRP A 1 233 . 9.099 58.558 61.845 1.00 9.36 ? NE1 TRP A 233 1 -ATOM 1753 C CE2 . TRP A 1 233 . 8.057 59.138 61.158 1.00 6.32 ? CE2 TRP A 233 1 -ATOM 1754 C CE3 . TRP A 1 233 . 5.602 58.746 60.911 1.00 4.33 ? CE3 TRP A 233 1 -ATOM 1755 C CZ2 . TRP A 1 233 . 7.987 60.215 60.272 1.00 2 ? CZ2 TRP A 233 1 -ATOM 1756 C CZ3 . TRP A 1 233 . 5.565 59.831 60.018 1.00 4.01 ? CZ3 TRP A 233 1 -ATOM 1757 C CH2 . TRP A 1 233 . 6.738 60.552 59.709 1.00 5.7 ? CH2 TRP A 233 1 -ATOM 1758 N N . ALA A 1 234 . 5.603 55.263 59.837 1.00 10.4 ? N ALA A 234 1 -ATOM 1759 C CA . ALA A 1 234 . 4.664 55.613 58.762 1.00 10.23 ? CA ALA A 234 1 -ATOM 1760 C C . ALA A 1 234 . 3.829 54.471 58.193 1.00 9.2 ? C ALA A 234 1 -ATOM 1761 O O . ALA A 1 234 . 2.994 54.737 57.345 1.00 8.66 ? O ALA A 234 1 -ATOM 1762 C CB . ALA A 1 234 . 5.389 56.299 57.601 1.00 9.92 ? CB ALA A 234 1 -ATOM 1763 N N . SER A 1 235 . 4.009 53.214 58.584 1.00 9.85 ? N SER A 235 1 -ATOM 1764 C CA . SER A 1 235 . 3.125 52.240 57.963 1.00 8.55 ? CA SER A 235 1 -ATOM 1765 C C . SER A 1 235 . 2.925 51.041 58.838 1.00 11.23 ? C SER A 235 1 -ATOM 1766 O O . SER A 1 235 . 3.702 50.831 59.755 1.00 14.24 ? O SER A 235 1 -ATOM 1767 C CB . SER A 1 235 . 3.689 51.813 56.616 1.00 9.56 ? CB SER A 235 1 -ATOM 1768 O OG . SER A 1 235 . 5.031 51.343 56.756 1.00 11.78 ? OG SER A 235 1 -ATOM 1769 N N . VAL A 1 236 . 1.875 50.263 58.594 1.00 12.67 ? N VAL A 236 1 -ATOM 1770 C CA . VAL A 1 236 . 1.665 49.054 59.377 1.00 12.89 ? CA VAL A 236 1 -ATOM 1771 C C . VAL A 1 236 . 1.203 47.980 58.410 1.00 14.64 ? C VAL A 236 1 -ATOM 1772 O O . VAL A 1 236 . 0.770 48.250 57.299 1.00 18.52 ? O VAL A 236 1 -ATOM 1773 C CB . VAL A 1 236 . 0.694 49.230 60.562 1.00 13.36 ? CB VAL A 236 1 -ATOM 1774 C CG1 . VAL A 1 236 . 1.252 50.234 61.568 1.00 9.32 ? CG1 VAL A 236 1 -ATOM 1775 C CG2 . VAL A 1 236 . -0.759 49.575 60.164 1.00 12.44 ? CG2 VAL A 236 1 -ATOM 1776 N N . SER A 1 237 . 1.280 46.733 58.829 1.00 11.99 ? N SER A 237 1 -ATOM 1777 C CA . SER A 1 237 . 0.841 45.682 57.934 1.00 14.87 ? CA SER A 237 1 -ATOM 1778 C C . SER A 1 237 . -0.664 45.589 58.008 1.00 16.44 ? C SER A 237 1 -ATOM 1779 O O . SER A 1 237 . -1.283 46.134 58.916 1.00 17.84 ? O SER A 237 1 -ATOM 1780 C CB . SER A 1 237 . 1.473 44.359 58.355 1.00 20.46 ? CB SER A 237 1 -ATOM 1781 O OG . SER A 1 237 . 1.233 44.181 59.749 1.00 31.59 ? OG SER A 237 1 -ATOM 1782 N N . VAL A 1 238 . -1.261 44.849 57.074 1.00 16.3 ? N VAL A 238 1 -ATOM 1783 C CA . VAL A 1 238 . -2.705 44.760 57.161 1.00 17.07 ? CA VAL A 238 1 -ATOM 1784 C C . VAL A 1 238 . -3.148 44.105 58.431 1.00 17.3 ? C VAL A 238 1 -ATOM 1785 O O . VAL A 1 238 . -4.183 44.417 59.005 1.00 20.67 ? O VAL A 238 1 -ATOM 1786 C CB . VAL A 1 238 . -3.267 44.082 55.922 1.00 13.86 ? CB VAL A 238 1 -ATOM 1787 C CG1 . VAL A 1 238 . -3.019 44.988 54.718 1.00 21.79 ? CG1 VAL A 238 1 -ATOM 1788 C CG2 . VAL A 1 238 . -2.649 42.709 55.657 1.00 20.71 ? CG2 VAL A 238 1 -ATOM 1789 N N . ALA A 1 239 . -2.299 43.184 58.874 1.00 16.88 ? N ALA A 239 1 -ATOM 1790 C CA . ALA A 1 239 . -2.651 42.491 60.097 1.00 19.71 ? CA ALA A 239 1 -ATOM 1791 C C . ALA A 1 239 . -2.739 43.451 61.258 1.00 22.34 ? C ALA A 239 1 -ATOM 1792 O O . ALA A 1 239 . -3.704 43.480 62.010 1.00 24.99 ? O ALA A 239 1 -ATOM 1793 C CB . ALA A 1 239 . -1.629 41.400 60.402 1.00 20.58 ? CB ALA A 239 1 -ATOM 1794 N N . GLU A 1 240 . -1.687 44.271 61.369 1.00 21.45 ? N GLU A 240 1 -ATOM 1795 C CA . GLU A 1 240 . -1.680 45.231 62.462 1.00 20.5 ? CA GLU A 240 1 -ATOM 1796 C C . GLU A 1 240 . -2.828 46.188 62.386 1.00 19.54 ? C GLU A 240 1 -ATOM 1797 O O . GLU A 1 240 . -3.458 46.502 63.378 1.00 22.06 ? O GLU A 240 1 -ATOM 1798 C CB . GLU A 1 240 . -0.360 46.019 62.554 1.00 23.57 ? CB GLU A 240 1 -ATOM 1799 C CG . GLU A 1 240 . 0.418 45.679 63.843 1.00 30.3 ? CG GLU A 240 1 -ATOM 1800 C CD . GLU A 1 240 . -0.134 46.401 65.072 1.00 27.07 ? CD GLU A 240 1 -ATOM 1801 O OE1 . GLU A 1 240 . -1.308 46.735 65.099 1.00 26.76 ? OE1 GLU A 240 1 -ATOM 1802 O OE2 . GLU A 1 240 . 0.622 46.643 65.998 1.00 28.68 ? OE2 GLU A 240 1 -ATOM 1803 N N . GLY A 1 241 . -3.095 46.672 61.187 1.00 19.6 ? N GLY A 241 1 -ATOM 1804 C CA . GLY A 1 241 . -4.201 47.607 61.081 1.00 17.71 ? CA GLY A 241 1 -ATOM 1805 C C . GLY A 1 241 . -5.484 46.963 61.526 1.00 16.81 ? C GLY A 241 1 -ATOM 1806 O O . GLY A 1 241 . -6.326 47.575 62.165 1.00 17.07 ? O GLY A 241 1 -ATOM 1807 N N . ARG A 1 242 . -5.615 45.674 61.211 1.00 18.59 ? N ARG A 242 1 -ATOM 1808 C CA . ARG A 1 242 . -6.839 45.009 61.630 1.00 21.59 ? CA ARG A 242 1 -ATOM 1809 C C . ARG A 1 242 . -6.910 44.993 63.144 1.00 22.77 ? C ARG A 242 1 -ATOM 1810 O O . ARG A 1 242 . -7.902 45.334 63.782 1.00 24.72 ? O ARG A 242 1 -ATOM 1811 C CB . ARG A 1 242 . -6.885 43.591 61.054 1.00 20.14 ? CB ARG A 242 1 -ATOM 1812 C CG . ARG A 1 242 . -8.240 42.915 61.291 1.00 27.41 ? CG ARG A 242 1 -ATOM 1813 C CD . ARG A 1 242 . -8.448 41.677 60.402 1.00 32.04 ? CD ARG A 242 1 -ATOM 1814 N NE . ARG A 1 242 . -8.830 42.067 59.050 1.00 38.93 ? NE ARG A 242 1 -ATOM 1815 C CZ . ARG A 1 242 . -10.099 42.372 58.735 1.00 42.03 ? CZ ARG A 242 1 -ATOM 1816 N NH1 . ARG A 1 242 . -11.063 42.318 59.650 1.00 41.27 ? NH1 ARG A 242 1 -ATOM 1817 N NH2 . ARG A 1 242 . -10.400 42.719 57.484 1.00 48.9 ? NH2 ARG A 242 1 -ATOM 1818 N N . ARG A 1 243 . -5.778 44.583 63.707 1.00 21.15 ? N ARG A 243 1 -ATOM 1819 C CA . ARG A 1 243 . -5.649 44.508 65.137 1.00 19.68 ? CA ARG A 243 1 -ATOM 1820 C C . ARG A 1 243 . -6.085 45.804 65.811 1.00 20.18 ? C ARG A 243 1 -ATOM 1821 O O . ARG A 1 243 . -6.945 45.824 66.687 1.00 22.86 ? O ARG A 243 1 -ATOM 1822 C CB . ARG A 1 243 . -4.203 44.175 65.490 1.00 25.56 ? CB ARG A 243 1 -ATOM 1823 C CG . ARG A 1 243 . -4.106 43.158 66.634 1.00 39.24 ? CG ARG A 243 1 -ATOM 1824 C CD . ARG A 1 243 . -2.964 43.359 67.672 1.00 50.63 ? CD ARG A 243 1 -ATOM 1825 N NE . ARG A 1 243 . -2.293 44.668 67.651 1.00 52.71 ? NE ARG A 243 1 -ATOM 1826 C CZ . ARG A 1 243 . -2.663 45.754 68.373 1.00 54.11 ? CZ ARG A 243 1 -ATOM 1827 N NH1 . ARG A 1 243 . -3.759 45.769 69.142 1.00 53.49 ? NH1 ARG A 243 1 -ATOM 1828 N NH2 . ARG A 1 243 . -1.899 46.844 68.331 1.00 52.99 ? NH2 ARG A 243 1 -ATOM 1829 N N . ARG A 1 244 . -5.476 46.905 65.381 1.00 14.29 ? N ARG A 244 1 -ATOM 1830 C CA . ARG A 1 244 . -5.837 48.182 65.980 1.00 13.22 ? CA ARG A 244 1 -ATOM 1831 C C . ARG A 1 244 . -7.269 48.582 65.667 1.00 18.25 ? C ARG A 244 1 -ATOM 1832 O O . ARG A 1 244 . -7.947 49.238 66.450 1.00 22.33 ? O ARG A 244 1 -ATOM 1833 C CB . ARG A 1 244 . -4.915 49.321 65.515 1.00 8.69 ? CB ARG A 244 1 -ATOM 1834 C CG . ARG A 1 244 . -3.440 48.987 65.728 1.00 3.14 ? CG ARG A 244 1 -ATOM 1835 C CD . ARG A 1 244 . -2.461 50.102 65.352 1.00 2 ? CD ARG A 244 1 -ATOM 1836 N NE . ARG A 1 244 . -1.132 49.595 65.636 1.00 2 ? NE ARG A 244 1 -ATOM 1837 C CZ . ARG A 1 244 . -0.019 50.311 65.467 1.00 4.07 ? CZ ARG A 244 1 -ATOM 1838 N NH1 . ARG A 1 244 . -0.037 51.595 65.109 1.00 3.12 ? NH1 ARG A 244 1 -ATOM 1839 N NH2 . ARG A 1 244 . 1.148 49.721 65.664 1.00 3.18 ? NH2 ARG A 244 1 -ATOM 1840 N N . ALA A 1 245 . -7.734 48.170 64.494 1.00 19.86 ? N ALA A 245 1 -ATOM 1841 C CA . ALA A 1 245 . -9.075 48.541 64.107 1.00 18.78 ? CA ALA A 245 1 -ATOM 1842 C C . ALA A 1 245 . -10.095 47.949 65.022 1.00 20.84 ? C ALA A 245 1 -ATOM 1843 O O . ALA A 1 245 . -11.067 48.583 65.403 1.00 21.84 ? O ALA A 245 1 -ATOM 1844 C CB . ALA A 1 245 . -9.343 48.070 62.679 1.00 21.74 ? CB ALA A 245 1 -ATOM 1845 N N . VAL A 1 246 . -9.839 46.699 65.386 1.00 22.44 ? N VAL A 246 1 -ATOM 1846 C CA . VAL A 1 246 . -10.754 45.975 66.263 1.00 25.15 ? CA VAL A 246 1 -ATOM 1847 C C . VAL A 1 246 . -10.609 46.438 67.693 1.00 25.86 ? C VAL A 246 1 -ATOM 1848 O O . VAL A 1 246 . -11.558 46.574 68.455 1.00 26.45 ? O VAL A 246 1 -ATOM 1849 C CB . VAL A 1 246 . -10.494 44.470 66.075 1.00 23.34 ? CB VAL A 246 1 -ATOM 1850 C CG1 . VAL A 1 246 . -10.293 43.644 67.350 1.00 23.96 ? CG1 VAL A 246 1 -ATOM 1851 C CG2 . VAL A 1 246 . -11.575 43.874 65.168 1.00 29.5 ? CG2 VAL A 246 1 -ATOM 1852 N N . GLU A 1 247 . -9.357 46.691 68.063 1.00 28.05 ? N GLU A 247 1 -ATOM 1853 C CA . GLU A 1 247 . -9.075 47.151 69.409 1.00 23.29 ? CA GLU A 247 1 -ATOM 1854 C C . GLU A 1 247 . -9.797 48.444 69.684 1.00 19.74 ? C GLU A 247 1 -ATOM 1855 O O . GLU A 1 247 . -10.273 48.697 70.782 1.00 22.4 ? O GLU A 247 1 -ATOM 1856 C CB . GLU A 1 247 . -7.564 47.278 69.601 1.00 28.4 ? CB GLU A 247 1 -ATOM 1857 C CG . GLU A 1 247 . -7.144 47.345 71.067 1.00 40.09 ? CG GLU A 247 1 -ATOM 1858 C CD . GLU A 1 247 . -7.638 46.115 71.815 1.00 46.37 ? CD GLU A 247 1 -ATOM 1859 O OE1 . GLU A 1 247 . -7.740 45.049 71.196 1.00 45.76 ? OE1 GLU A 247 1 -ATOM 1860 O OE2 . GLU A 1 247 . -7.933 46.237 73.007 1.00 52.56 ? OE2 GLU A 247 1 -ATOM 1861 N N . LEU A 1 248 . -9.884 49.267 68.644 1.00 17.77 ? N LEU A 248 1 -ATOM 1862 C CA . LEU A 1 248 . -10.612 50.516 68.796 1.00 16.07 ? CA LEU A 248 1 -ATOM 1863 C C . LEU A 1 248 . -12.057 50.175 69.038 1.00 16.1 ? C LEU A 248 1 -ATOM 1864 O O . LEU A 1 248 . -12.733 50.697 69.906 1.00 18.19 ? O LEU A 248 1 -ATOM 1865 C CB . LEU A 1 248 . -10.540 51.368 67.524 1.00 13.23 ? CB LEU A 248 1 -ATOM 1866 C CG . LEU A 1 248 . -11.058 52.795 67.764 1.00 12.13 ? CG LEU A 248 1 -ATOM 1867 C CD1 . LEU A 1 248 . -10.051 53.618 68.579 1.00 21.34 ? CD1 LEU A 248 1 -ATOM 1868 C CD2 . LEU A 1 248 . -11.360 53.513 66.456 1.00 10.06 ? CD2 LEU A 248 1 -ATOM 1869 N N . GLY A 1 249 . -12.517 49.220 68.249 1.00 17.29 ? N GLY A 249 1 -ATOM 1870 C CA . GLY A 1 249 . -13.888 48.784 68.363 1.00 18.58 ? CA GLY A 249 1 -ATOM 1871 C C . GLY A 1 249 . -14.254 48.364 69.750 1.00 21.46 ? C GLY A 249 1 -ATOM 1872 O O . GLY A 1 249 . -15.311 48.718 70.259 1.00 19.7 ? O GLY A 249 1 -ATOM 1873 N N . ARG A 1 250 . -13.353 47.612 70.389 1.00 24.6 ? N ARG A 250 1 -ATOM 1874 C CA . ARG A 1 250 . -13.712 47.195 71.734 1.00 29.78 ? CA ARG A 250 1 -ATOM 1875 C C . ARG A 1 250 . -13.672 48.348 72.707 1.00 28.84 ? C ARG A 250 1 -ATOM 1876 O O . ARG A 1 250 . -14.412 48.351 73.672 1.00 32.85 ? O ARG A 250 1 -ATOM 1877 C CB . ARG A 1 250 . -13.000 45.921 72.197 1.00 31.65 ? CB ARG A 250 1 -ATOM 1878 C CG . ARG A 1 250 . -11.564 46.095 72.694 1.00 38.32 ? CG ARG A 250 1 -ATOM 1879 C CD . ARG A 1 250 . -10.716 44.826 72.510 1.00 42.1 ? CD ARG A 250 1 -ATOM 1880 N NE . ARG A 1 250 . -11.511 43.603 72.529 1.00 47.16 ? NE ARG A 250 1 -ATOM 1881 C CZ . ARG A 1 250 . -11.060 42.488 71.919 1.00 52.25 ? CZ ARG A 250 1 -ATOM 1882 N NH1 . ARG A 1 250 . -9.846 42.455 71.360 1.00 51.05 ? NH1 ARG A 250 1 -ATOM 1883 N NH2 . ARG A 1 250 . -11.833 41.398 71.868 1.00 54.19 ? NH2 ARG A 250 1 -ATOM 1884 N N . ASN A 1 251 . -12.838 49.354 72.455 1.00 27.17 ? N ASN A 251 1 -ATOM 1885 C CA . ASN A 1 251 . -12.850 50.482 73.400 1.00 27.75 ? CA ASN A 251 1 -ATOM 1886 C C . ASN A 1 251 . -14.185 51.219 73.329 1.00 24.12 ? C ASN A 251 1 -ATOM 1887 O O . ASN A 1 251 . -14.548 51.915 74.259 1.00 23.52 ? O ASN A 251 1 -ATOM 1888 C CB . ASN A 1 251 . -11.711 51.511 73.204 1.00 32.09 ? CB ASN A 251 1 -ATOM 1889 C CG . ASN A 1 251 . -10.356 51.085 73.755 1.00 34.22 ? CG ASN A 251 1 -ATOM 1890 O OD1 . ASN A 1 251 . -9.710 51.814 74.491 1.00 37.29 ? OD1 ASN A 251 1 -ATOM 1891 N ND2 . ASN A 1 251 . -9.902 49.886 73.399 1.00 34.04 ? ND2 ASN A 251 1 -ATOM 1892 N N . LEU A 1 252 . -14.909 51.094 72.209 1.00 24.55 ? N LEU A 252 1 -ATOM 1893 C CA . LEU A 1 252 . -16.217 51.752 72.133 1.00 25.74 ? CA LEU A 252 1 -ATOM 1894 C C . LEU A 1 252 . -17.323 50.719 72.346 1.00 26.48 ? C LEU A 252 1 -ATOM 1895 O O . LEU A 1 252 . -18.519 50.958 72.198 1.00 23.35 ? O LEU A 252 1 -ATOM 1896 C CB . LEU A 1 252 . -16.488 52.490 70.818 1.00 25.9 ? CB LEU A 252 1 -ATOM 1897 C CG . LEU A 1 252 . -15.578 53.685 70.503 1.00 28.99 ? CG LEU A 252 1 -ATOM 1898 C CD1 . LEU A 1 252 . -15.508 54.707 71.638 1.00 28.34 ? CD1 LEU A 252 1 -ATOM 1899 C CD2 . LEU A 1 252 . -14.181 53.256 70.045 1.00 33.43 ? CD2 LEU A 252 1 -ATOM 1900 N N . ASN A 1 253 . -16.888 49.519 72.719 1.00 30.95 ? N ASN A 253 1 -ATOM 1901 C CA . ASN A 1 253 . -17.778 48.392 72.987 1.00 36.81 ? CA ASN A 253 1 -ATOM 1902 C C . ASN A 1 253 . -18.655 48.030 71.804 1.00 34.3 ? C ASN A 253 1 -ATOM 1903 O O . ASN A 1 253 . -19.840 47.745 71.914 1.00 31.53 ? O ASN A 253 1 -ATOM 1904 C CB . ASN A 1 253 . -18.562 48.511 74.327 1.00 41.04 ? CB ASN A 253 1 -ATOM 1905 C CG . ASN A 1 253 . -19.823 49.371 74.216 1.00 46.22 ? CG ASN A 253 1 -ATOM 1906 N N . CYS A 1 254 . -18.026 48.082 70.650 1.00 35.23 ? N CYS A 254 1 -ATOM 1907 C CA . CYS A 1 254 . -18.746 47.740 69.444 1.00 36.37 ? CA CYS A 254 1 -ATOM 1908 C C . CYS A 1 254 . -18.806 46.251 69.356 1.00 40.41 ? C CYS A 254 1 -ATOM 1909 O O . CYS A 1 254 . -17.977 45.558 69.928 1.00 42.26 ? O CYS A 254 1 -ATOM 1910 C CB . CYS A 1 254 . -17.968 48.234 68.238 1.00 29.99 ? CB CYS A 254 1 -ATOM 1911 S SG . CYS A 1 254 . -18.232 49.996 68.077 1.00 22.76 ? SG CYS A 254 1 -ATOM 1912 N N . ASN A 1 255 . -19.809 45.776 68.607 1.00 40.92 ? N ASN A 255 1 -ATOM 1913 C CA . ASN A 1 255 . -19.980 44.344 68.396 1.00 40.55 ? CA ASN A 255 1 -ATOM 1914 C C . ASN A 1 255 . -18.837 43.974 67.487 1.00 39.35 ? C ASN A 255 1 -ATOM 1915 O O . ASN A 1 255 . -18.743 44.576 66.427 1.00 38.2 ? O ASN A 255 1 -ATOM 1916 C CB . ASN A 1 255 . -21.341 44.116 67.707 1.00 42.22 ? CB ASN A 255 1 -ATOM 1917 C CG . ASN A 1 255 . -21.585 42.672 67.309 1.00 42.69 ? CG ASN A 255 1 -ATOM 1918 O OD1 . ASN A 1 255 . -20.725 41.998 66.773 1.00 44.86 ? OD1 ASN A 255 1 -ATOM 1919 N ND2 . ASN A 1 255 . -22.792 42.190 67.567 1.00 44.25 ? ND2 ASN A 255 1 -ATOM 1920 N N . LEU A 1 256 . -17.980 43.038 67.899 1.00 39.51 ? N LEU A 256 1 -ATOM 1921 C CA . LEU A 1 256 . -16.841 42.692 67.051 1.00 42.33 ? CA LEU A 256 1 -ATOM 1922 C C . LEU A 1 256 . -16.977 41.364 66.324 1.00 44.21 ? C LEU A 256 1 -ATOM 1923 O O . LEU A 1 256 . -15.986 40.706 66.026 1.00 47.32 ? O LEU A 256 1 -ATOM 1924 C CB . LEU A 1 256 . -15.527 42.636 67.853 1.00 43.59 ? CB LEU A 256 1 -ATOM 1925 C CG . LEU A 1 256 . -15.167 43.899 68.662 1.00 47.1 ? CG LEU A 256 1 -ATOM 1926 C CD1 . LEU A 1 256 . -15.667 43.837 70.112 1.00 50.25 ? CD1 LEU A 256 1 -ATOM 1927 C CD2 . LEU A 1 256 . -13.648 44.085 68.684 1.00 49.35 ? CD2 LEU A 256 1 -ATOM 1928 N N . ASN A 1 257 . -18.209 40.954 66.040 1.00 44.93 ? N ASN A 257 1 -ATOM 1929 C CA . ASN A 1 257 . -18.446 39.689 65.349 1.00 45.58 ? CA ASN A 257 1 -ATOM 1930 C C . ASN A 1 257 . -18.190 39.770 63.848 1.00 45.23 ? C ASN A 257 1 -ATOM 1931 O O . ASN A 1 257 . -18.074 38.772 63.153 1.00 44.48 ? O ASN A 257 1 -ATOM 1932 C CB . ASN A 1 257 . -19.885 39.220 65.621 1.00 47.18 ? CB ASN A 257 1 -ATOM 1933 N N . SER A 1 258 . -18.108 40.983 63.317 1.00 47.53 ? N SER A 258 1 -ATOM 1934 C CA . SER A 1 258 . -17.875 41.086 61.879 1.00 46.62 ? CA SER A 258 1 -ATOM 1935 C C . SER A 1 258 . -17.447 42.492 61.525 1.00 45.93 ? C SER A 258 1 -ATOM 1936 O O . SER A 1 258 . -17.716 43.454 62.239 1.00 45.45 ? O SER A 258 1 -ATOM 1937 C CB . SER A 1 258 . -19.177 40.743 61.130 1.00 48.28 ? CB SER A 258 1 -ATOM 1938 O OG . SER A 1 258 . -20.272 41.439 61.741 1.00 49.1 ? OG SER A 258 1 -ATOM 1939 N N . ASP A 1 259 . -16.807 42.611 60.356 1.00 43.15 ? N ASP A 259 1 -ATOM 1940 C CA . ASP A 1 259 . -16.392 43.960 59.967 1.00 39.16 ? CA ASP A 259 1 -ATOM 1941 C C . ASP A 1 259 . -17.603 44.839 59.743 1.00 36.02 ? C ASP A 259 1 -ATOM 1942 O O . ASP A 1 259 . -17.582 46.030 59.962 1.00 34.56 ? O ASP A 259 1 -ATOM 1943 C CB . ASP A 1 259 . -15.510 44.013 58.702 1.00 37.85 ? CB ASP A 259 1 -ATOM 1944 C CG . ASP A 1 259 . -14.228 43.207 58.821 1.00 39.63 ? CG ASP A 259 1 -ATOM 1945 O OD1 . ASP A 1 259 . -13.947 42.697 59.903 1.00 42.63 ? OD1 ASP A 259 1 -ATOM 1946 O OD2 . ASP A 1 259 . -13.511 43.092 57.827 1.00 40.96 ? OD2 ASP A 259 1 -ATOM 1947 N N . GLU A 1 260 . -18.687 44.211 59.313 1.00 34.31 ? N GLU A 260 1 -ATOM 1948 C CA . GLU A 1 260 . -19.893 44.978 59.060 1.00 34.44 ? CA GLU A 260 1 -ATOM 1949 C C . GLU A 1 260 . -20.438 45.628 60.310 1.00 34.84 ? C GLU A 260 1 -ATOM 1950 O O . GLU A 1 260 . -20.857 46.782 60.338 1.00 32.9 ? O GLU A 260 1 -ATOM 1951 C CB . GLU A 1 260 . -20.997 44.034 58.553 1.00 35.01 ? CB GLU A 260 1 -ATOM 1952 N N . GLU A 1 261 . -20.432 44.797 61.367 1.00 34.19 ? N GLU A 261 1 -ATOM 1953 C CA . GLU A 1 261 . -20.950 45.244 62.649 1.00 32 ? CA GLU A 261 1 -ATOM 1954 C C . GLU A 1 261 . -20.023 46.281 63.250 1.00 31.67 ? C GLU A 261 1 -ATOM 1955 O O . GLU A 1 261 . -20.417 47.345 63.730 1.00 31.79 ? O GLU A 261 1 -ATOM 1956 C CB . GLU A 1 261 . -21.191 44.038 63.594 1.00 35.52 ? CB GLU A 261 1 -ATOM 1957 C CG . GLU A 1 261 . -22.578 43.336 63.399 1.00 32.88 ? CG GLU A 261 1 -ATOM 1958 N N . LEU A 1 262 . -18.747 45.931 63.201 1.00 27.26 ? N LEU A 262 1 -ATOM 1959 C CA . LEU A 1 262 . -17.738 46.803 63.731 1.00 23.27 ? CA LEU A 262 1 -ATOM 1960 C C . LEU A 1 262 . -17.801 48.161 63.070 1.00 25.58 ? C LEU A 262 1 -ATOM 1961 O O . LEU A 1 262 . -17.867 49.203 63.706 1.00 29.63 ? O LEU A 262 1 -ATOM 1962 C CB . LEU A 1 262 . -16.390 46.126 63.490 1.00 23.67 ? CB LEU A 262 1 -ATOM 1963 C CG . LEU A 1 262 . -15.172 46.989 63.827 1.00 24.34 ? CG LEU A 262 1 -ATOM 1964 C CD1 . LEU A 1 262 . -15.243 47.536 65.250 1.00 31.17 ? CD1 LEU A 262 1 -ATOM 1965 C CD2 . LEU A 1 262 . -13.881 46.193 63.629 1.00 25.63 ? CD2 LEU A 262 1 -ATOM 1966 N N . ILE A 1 263 . -17.818 48.130 61.749 1.00 25.88 ? N ILE A 263 1 -ATOM 1967 C CA . ILE A 1 263 . -17.847 49.358 60.975 1.00 28.49 ? CA ILE A 263 1 -ATOM 1968 C C . ILE A 1 263 . -19.124 50.128 61.189 1.00 31.31 ? C ILE A 263 1 -ATOM 1969 O O . ILE A 1 263 . -19.069 51.329 61.404 1.00 33.92 ? O ILE A 263 1 -ATOM 1970 C CB . ILE A 1 263 . -17.535 49.065 59.487 1.00 24.74 ? CB ILE A 263 1 -ATOM 1971 C CG1 . ILE A 1 263 . -16.059 48.644 59.363 1.00 22.96 ? CG1 ILE A 263 1 -ATOM 1972 C CG2 . ILE A 1 263 . -17.839 50.236 58.544 1.00 19.49 ? CG2 ILE A 263 1 -ATOM 1973 C CD1 . ILE A 1 263 . -15.716 48.015 58.015 1.00 19.48 ? CD1 ILE A 263 1 -ATOM 1974 N N . HIS A 1 264 . -20.278 49.455 61.149 1.00 33.61 ? N HIS A 264 1 -ATOM 1975 C CA . HIS A 1 264 . -21.518 50.205 61.354 1.00 38.39 ? CA HIS A 264 1 -ATOM 1976 C C . HIS A 1 264 . -21.444 50.922 62.677 1.00 37.97 ? C HIS A 264 1 -ATOM 1977 O O . HIS A 1 264 . -21.759 52.098 62.833 1.00 40.86 ? O HIS A 264 1 -ATOM 1978 C CB . HIS A 1 264 . -22.772 49.289 61.292 1.00 48.98 ? CB HIS A 264 1 -ATOM 1979 C CG . HIS A 1 264 . -23.998 49.912 61.975 1.00 61.06 ? CG HIS A 264 1 -ATOM 1980 N ND1 . HIS A 1 264 . -24.607 51.064 61.597 1.00 64.46 ? ND1 HIS A 264 1 -ATOM 1981 C CD2 . HIS A 1 264 . -24.674 49.438 63.133 1.00 65.12 ? CD2 HIS A 264 1 -ATOM 1982 C CE1 . HIS A 1 264 . -25.606 51.285 62.475 1.00 66.51 ? CE1 HIS A 264 1 -ATOM 1983 N NE2 . HIS A 1 264 . -25.661 50.319 63.410 1.00 67.54 ? NE2 HIS A 264 1 -ATOM 1984 N N . CYS A 1 265 . -20.976 50.147 63.640 1.00 32.83 ? N CYS A 265 1 -ATOM 1985 C CA . CYS A 1 265 . -20.856 50.683 64.969 1.00 29.03 ? CA CYS A 265 1 -ATOM 1986 C C . CYS A 1 265 . -20.017 51.947 64.991 1.00 27.28 ? C CYS A 265 1 -ATOM 1987 O O . CYS A 1 265 . -20.428 53.001 65.464 1.00 30.45 ? O CYS A 265 1 -ATOM 1988 C CB . CYS A 1 265 . -20.271 49.584 65.840 1.00 29.44 ? CB CYS A 265 1 -ATOM 1989 S SG . CYS A 1 265 . -20.203 50.034 67.584 1.00 30.11 ? SG CYS A 265 1 -ATOM 1990 N N . LEU A 1 266 . -18.829 51.837 64.402 1.00 22.45 ? N LEU A 266 1 -ATOM 1991 C CA . LEU A 1 266 . -17.952 52.988 64.390 1.00 20.17 ? CA LEU A 266 1 -ATOM 1992 C C . LEU A 1 266 . -18.529 54.142 63.596 1.00 21.08 ? C LEU A 266 1 -ATOM 1993 O O . LEU A 1 266 . -18.179 55.288 63.818 1.00 22.26 ? O LEU A 266 1 -ATOM 1994 C CB . LEU A 1 266 . -16.566 52.593 63.860 1.00 13.8 ? CB LEU A 266 1 -ATOM 1995 C CG . LEU A 1 266 . -15.856 51.541 64.743 1.00 9.35 ? CG LEU A 266 1 -ATOM 1996 C CD1 . LEU A 1 266 . -14.740 50.835 63.993 1.00 6.6 ? CD1 LEU A 266 1 -ATOM 1997 C CD2 . LEU A 1 266 . -15.281 52.153 66.026 1.00 11.99 ? CD2 LEU A 266 1 -ATOM 1998 N N . ARG A 1 267 . -19.415 53.842 62.651 1.00 25.36 ? N ARG A 267 1 -ATOM 1999 C CA . ARG A 1 267 . -19.995 54.917 61.850 1.00 28.09 ? CA ARG A 267 1 -ATOM 2000 C C . ARG A 1 267 . -21.064 55.661 62.610 1.00 29 ? C ARG A 267 1 -ATOM 2001 O O . ARG A 1 267 . -21.477 56.728 62.177 1.00 30.66 ? O ARG A 267 1 -ATOM 2002 C CB . ARG A 1 267 . -20.549 54.436 60.474 1.00 29.47 ? CB ARG A 267 1 -ATOM 2003 C CG . ARG A 1 267 . -19.486 53.801 59.531 1.00 29.74 ? CG ARG A 267 1 -ATOM 2004 C CD . ARG A 1 267 . -19.493 54.271 58.048 1.00 31.57 ? CD ARG A 267 1 -ATOM 2005 N NE . ARG A 1 267 . -20.047 53.252 57.148 1.00 29.99 ? NE ARG A 267 1 -ATOM 2006 C CZ . ARG A 1 267 . -19.349 52.606 56.184 1.00 29.62 ? CZ ARG A 267 1 -ATOM 2007 N NH1 . ARG A 1 267 . -18.071 52.858 55.912 1.00 21.41 ? NH1 ARG A 267 1 -ATOM 2008 N NH2 . ARG A 1 267 . -19.958 51.667 55.468 1.00 32.91 ? NH2 ARG A 267 1 -ATOM 2009 N N . GLU A 1 268 . -21.536 55.071 63.718 1.00 30.51 ? N GLU A 268 1 -ATOM 2010 C CA . GLU A 1 268 . -22.578 55.737 64.515 1.00 31.71 ? CA GLU A 268 1 -ATOM 2011 C C . GLU A 1 268 . -21.981 56.554 65.625 1.00 32.42 ? C GLU A 268 1 -ATOM 2012 O O . GLU A 1 268 . -22.645 57.400 66.212 1.00 36.23 ? O GLU A 268 1 -ATOM 2013 C CB . GLU A 1 268 . -23.553 54.751 65.201 1.00 32.99 ? CB GLU A 268 1 -ATOM 2014 C CG . GLU A 1 268 . -24.478 53.994 64.216 1.00 40.92 ? CG GLU A 268 1 -ATOM 2015 N N . LYS A 1 269 . -20.727 56.248 65.966 1.00 30.23 ? N LYS A 269 1 -ATOM 2016 C CA . LYS A 1 269 . -20.136 57.002 67.048 1.00 28.67 ? CA LYS A 269 1 -ATOM 2017 C C . LYS A 1 269 . -19.852 58.419 66.608 1.00 27.17 ? C LYS A 269 1 -ATOM 2018 O O . LYS A 1 269 . -19.518 58.714 65.474 1.00 28.28 ? O LYS A 269 1 -ATOM 2019 C CB . LYS A 1 269 . -18.853 56.308 67.490 1.00 31.35 ? CB LYS A 269 1 -ATOM 2020 C CG . LYS A 1 269 . -19.103 54.880 67.994 1.00 35.61 ? CG LYS A 269 1 -ATOM 2021 C CD . LYS A 1 269 . -19.619 54.834 69.447 1.00 42.51 ? CD LYS A 269 1 -ATOM 2022 C CE . LYS A 1 269 . -19.981 53.407 69.892 1.00 46.28 ? CE LYS A 269 1 -ATOM 2023 N NZ . LYS A 1 269 . -21.133 52.934 69.153 1.00 51.59 ? NZ LYS A 269 1 -ATOM 2024 N N . LYS A 1 270 . -19.979 59.330 67.561 1.00 25.86 ? N LYS A 270 1 -ATOM 2025 C CA . LYS A 1 270 . -19.709 60.724 67.236 1.00 25.82 ? CA LYS A 270 1 -ATOM 2026 C C . LYS A 1 270 . -18.202 60.845 67.060 1.00 25.56 ? C LYS A 270 1 -ATOM 2027 O O . LYS A 1 270 . -17.471 60.112 67.724 1.00 28.89 ? O LYS A 270 1 -ATOM 2028 C CB . LYS A 1 270 . -20.179 61.623 68.394 1.00 29.72 ? CB LYS A 270 1 -ATOM 2029 C CG . LYS A 1 270 . -21.486 61.133 69.055 1.00 34.57 ? CG LYS A 270 1 -ATOM 2030 N N . PRO A 1 271 . -17.728 61.788 66.223 1.00 21.99 ? N PRO A 271 1 -ATOM 2031 C CA . PRO A 1 271 . -16.312 61.825 65.882 1.00 19.77 ? CA PRO A 271 1 -ATOM 2032 C C . PRO A 1 271 . -15.406 61.873 67.097 1.00 19.51 ? C PRO A 271 1 -ATOM 2033 O O . PRO A 1 271 . -14.427 61.145 67.208 1.00 18.77 ? O PRO A 271 1 -ATOM 2034 C CB . PRO A 1 271 . -16.150 63.032 64.951 1.00 17.86 ? CB PRO A 271 1 -ATOM 2035 C CG . PRO A 1 271 . -17.502 63.772 64.960 1.00 19.7 ? CG PRO A 271 1 -ATOM 2036 C CD . PRO A 1 271 . -18.527 62.824 65.588 1.00 21.39 ? CD PRO A 271 1 -ATOM 2037 N N . GLN A 1 272 . -15.781 62.747 68.045 1.00 20.44 ? N GLN A 272 1 -ATOM 2038 C CA . GLN A 1 272 . -14.959 62.861 69.255 1.00 20.29 ? CA GLN A 272 1 -ATOM 2039 C C . GLN A 1 272 . -14.813 61.567 70.024 1.00 16.35 ? C GLN A 272 1 -ATOM 2040 O O . GLN A 1 272 . -13.796 61.346 70.659 1.00 14.98 ? O GLN A 272 1 -ATOM 2041 C CB . GLN A 1 272 . -15.424 63.988 70.206 1.00 25.23 ? CB GLN A 272 1 -ATOM 2042 C CG . GLN A 1 272 . -14.716 65.336 69.967 1.00 35.78 ? CG GLN A 272 1 -ATOM 2043 C CD . GLN A 1 272 . -13.264 65.246 70.428 1.00 40.78 ? CD GLN A 272 1 -ATOM 2044 O OE1 . GLN A 1 272 . -12.922 64.449 71.287 1.00 41.42 ? OE1 GLN A 272 1 -ATOM 2045 N NE2 . GLN A 1 272 . -12.403 66.076 69.832 1.00 43.62 ? NE2 GLN A 272 1 -ATOM 2046 N N . GLU A 1 273 . -15.814 60.683 69.974 1.00 15.06 ? N GLU A 273 1 -ATOM 2047 C CA . GLU A 1 273 . -15.616 59.448 70.732 1.00 16.59 ? CA GLU A 273 1 -ATOM 2048 C C . GLU A 1 273 . -14.449 58.688 70.170 1.00 17.35 ? C GLU A 273 1 -ATOM 2049 O O . GLU A 1 273 . -13.670 58.105 70.916 1.00 18.34 ? O GLU A 273 1 -ATOM 2050 C CB . GLU A 1 273 . -16.839 58.526 70.737 1.00 19.35 ? CB GLU A 273 1 -ATOM 2051 C CG . GLU A 1 273 . -17.982 59.089 71.591 1.00 26.28 ? CG GLU A 273 1 -ATOM 2052 C CD . GLU A 1 273 . -19.280 58.340 71.341 1.00 32.07 ? CD GLU A 273 1 -ATOM 2053 O OE1 . GLU A 1 273 . -19.991 58.685 70.392 1.00 31.44 ? OE1 GLU A 273 1 -ATOM 2054 O OE2 . GLU A 1 273 . -19.578 57.420 72.102 1.00 35.54 ? OE2 GLU A 273 1 -ATOM 2055 N N . LEU A 1 274 . -14.342 58.737 68.832 1.00 17.24 ? N LEU A 274 1 -ATOM 2056 C CA . LEU A 1 274 . -13.243 58.017 68.201 1.00 16.07 ? CA LEU A 274 1 -ATOM 2057 C C . LEU A 1 274 . -11.927 58.632 68.622 1.00 12.97 ? C LEU A 274 1 -ATOM 2058 O O . LEU A 1 274 . -10.984 57.957 69.004 1.00 16.28 ? O LEU A 274 1 -ATOM 2059 C CB . LEU A 1 274 . -13.388 57.989 66.664 1.00 19.09 ? CB LEU A 274 1 -ATOM 2060 C CG . LEU A 1 274 . -14.568 57.105 66.157 1.00 21.29 ? CG LEU A 274 1 -ATOM 2061 C CD1 . LEU A 1 274 . -15.439 57.817 65.127 1.00 18.9 ? CD1 LEU A 274 1 -ATOM 2062 C CD2 . LEU A 1 274 . -14.099 55.763 65.575 1.00 19.75 ? CD2 LEU A 274 1 -ATOM 2063 N N . ILE A 1 275 . -11.874 59.954 68.582 1.00 9.96 ? N ILE A 275 1 -ATOM 2064 C CA . ILE A 1 275 . -10.621 60.576 68.970 1.00 9.89 ? CA ILE A 275 1 -ATOM 2065 C C . ILE A 1 275 . -10.229 60.260 70.403 1.00 13.55 ? C ILE A 275 1 -ATOM 2066 O O . ILE A 1 275 . -9.072 59.954 70.664 1.00 17.07 ? O ILE A 275 1 -ATOM 2067 C CB . ILE A 1 275 . -10.652 62.094 68.769 1.00 11.57 ? CB ILE A 275 1 -ATOM 2068 C CG1 . ILE A 1 275 . -11.319 62.423 67.420 1.00 2.17 ? CG1 ILE A 275 1 -ATOM 2069 C CG2 . ILE A 1 275 . -9.236 62.708 68.908 1.00 9.05 ? CG2 ILE A 275 1 -ATOM 2070 C CD1 . ILE A 1 275 . -11.178 63.888 67.037 1.00 6.35 ? CD1 ILE A 275 1 -ATOM 2071 N N . ASP A 1 276 . -11.214 60.323 71.312 1.00 13.66 ? N ASP A 276 1 -ATOM 2072 C CA . ASP A 1 276 . -10.967 60.055 72.736 1.00 9.99 ? CA ASP A 276 1 -ATOM 2073 C C . ASP A 1 276 . -10.209 58.755 72.987 1.00 9.78 ? C ASP A 276 1 -ATOM 2074 O O . ASP A 1 276 . -9.256 58.728 73.749 1.00 15.86 ? O ASP A 276 1 -ATOM 2075 C CB . ASP A 1 276 . -12.268 60.066 73.579 1.00 6.67 ? CB ASP A 276 1 -ATOM 2076 C CG . ASP A 1 276 . -12.935 61.437 73.832 1.00 13.34 ? CG ASP A 276 1 -ATOM 2077 O OD1 . ASP A 1 276 . -12.247 62.466 73.816 1.00 11.05 ? OD1 ASP A 276 1 -ATOM 2078 O OD2 . ASP A 1 276 . -14.149 61.465 74.080 1.00 12.5 ? OD2 ASP A 276 1 -ATOM 2079 N N . VAL A 1 277 . -10.607 57.654 72.345 1.00 10.57 ? N VAL A 277 1 -ATOM 2080 C CA . VAL A 1 277 . -9.861 56.422 72.639 1.00 11.18 ? CA VAL A 277 1 -ATOM 2081 C C . VAL A 1 277 . -8.818 56.096 71.598 1.00 9.73 ? C VAL A 277 1 -ATOM 2082 O O . VAL A 1 277 . -8.168 55.065 71.658 1.00 6.66 ? O VAL A 277 1 -ATOM 2083 C CB . VAL A 1 277 . -10.844 55.258 72.819 1.00 12 ? CB VAL A 277 1 -ATOM 2084 C CG1 . VAL A 1 277 . -11.716 55.499 74.059 1.00 14.32 ? CG1 VAL A 277 1 -ATOM 2085 C CG2 . VAL A 1 277 . -11.750 55.051 71.604 1.00 14.63 ? CG2 VAL A 277 1 -ATOM 2086 N N . GLU A 1 278 . -8.644 56.991 70.636 1.00 13.19 ? N GLU A 278 1 -ATOM 2087 C CA . GLU A 1 278 . -7.692 56.760 69.568 1.00 15.23 ? CA GLU A 278 1 -ATOM 2088 C C . GLU A 1 278 . -6.290 56.328 70.024 1.00 17.91 ? C GLU A 278 1 -ATOM 2089 O O . GLU A 1 278 . -5.709 55.380 69.506 1.00 17.63 ? O GLU A 278 1 -ATOM 2090 C CB . GLU A 1 278 . -7.666 58.018 68.686 1.00 14.05 ? CB GLU A 278 1 -ATOM 2091 C CG . GLU A 1 278 . -6.897 57.868 67.363 1.00 22.36 ? CG GLU A 278 1 -ATOM 2092 C CD . GLU A 1 278 . -6.148 59.113 66.886 1.00 24.06 ? CD GLU A 278 1 -ATOM 2093 O OE1 . GLU A 1 278 . -6.613 60.233 67.110 1.00 17.72 ? OE1 GLU A 278 1 -ATOM 2094 O OE2 . GLU A 1 278 . -5.080 58.936 66.290 1.00 29.64 ? OE2 GLU A 278 1 -ATOM 2095 N N . TRP A 1 279 . -5.748 56.995 71.039 1.00 19.53 ? N TRP A 279 1 -ATOM 2096 C CA . TRP A 1 279 . -4.375 56.663 71.456 1.00 23.58 ? CA TRP A 279 1 -ATOM 2097 C C . TRP A 1 279 . -4.326 55.378 72.305 1.00 21.75 ? C TRP A 279 1 -ATOM 2098 O O . TRP A 1 279 . -3.270 54.887 72.685 1.00 20.15 ? O TRP A 279 1 -ATOM 2099 C CB . TRP A 1 279 . -3.626 57.911 72.073 1.00 27.83 ? CB TRP A 279 1 -ATOM 2100 C CG . TRP A 1 279 . -3.609 59.185 71.180 1.00 45.87 ? CG TRP A 279 1 -ATOM 2101 C CD1 . TRP A 1 279 . -4.600 59.611 70.245 1.00 51.14 ? CD1 TRP A 279 1 -ATOM 2102 C CD2 . TRP A 1 279 . -2.638 60.215 71.124 1.00 51.75 ? CD2 TRP A 279 1 -ATOM 2103 N NE1 . TRP A 1 279 . -4.320 60.787 69.652 1.00 49.73 ? NE1 TRP A 279 1 -ATOM 2104 C CE2 . TRP A 1 279 . -3.129 61.217 70.139 1.00 49.88 ? CE2 TRP A 279 1 -ATOM 2105 C CE3 . TRP A 1 279 . -1.396 60.443 71.739 1.00 58.48 ? CE3 TRP A 279 1 -ATOM 2106 C CZ2 . TRP A 1 279 . -2.355 62.344 69.845 1.00 52.53 ? CZ2 TRP A 279 1 -ATOM 2107 C CZ3 . TRP A 1 279 . -0.651 61.593 71.411 1.00 56.28 ? CZ3 TRP A 279 1 -ATOM 2108 C CH2 . TRP A 1 279 . -1.121 62.532 70.477 1.00 54.43 ? CH2 TRP A 279 1 -ATOM 2109 N N . ASN A 1 280 . -5.489 54.797 72.608 1.00 20.31 ? N ASN A 280 1 -ATOM 2110 C CA . ASN A 1 280 . -5.433 53.582 73.429 1.00 20.08 ? CA ASN A 280 1 -ATOM 2111 C C . ASN A 1 280 . -5.039 52.341 72.694 1.00 22.62 ? C ASN A 280 1 -ATOM 2112 O O . ASN A 1 280 . -4.460 51.425 73.248 1.00 26.63 ? O ASN A 280 1 -ATOM 2113 C CB . ASN A 1 280 . -6.789 53.199 74.043 1.00 20.19 ? CB ASN A 280 1 -ATOM 2114 C CG . ASN A 1 280 . -7.137 54.098 75.195 1.00 24.84 ? CG ASN A 280 1 -ATOM 2115 O OD1 . ASN A 1 280 . -6.304 54.823 75.717 1.00 25.2 ? OD1 ASN A 280 1 -ATOM 2116 N ND2 . ASN A 1 280 . -8.397 54.069 75.590 1.00 28.34 ? ND2 ASN A 280 1 -ATOM 2117 N N . VAL A 1 281 . -5.380 52.275 71.420 1.00 25.56 ? N VAL A 281 1 -ATOM 2118 C CA . VAL A 1 281 . -5.062 51.042 70.707 1.00 24.42 ? CA VAL A 281 1 -ATOM 2119 C C . VAL A 1 281 . -3.599 50.711 70.393 1.00 22.95 ? C VAL A 281 1 -ATOM 2120 O O . VAL A 1 281 . -3.372 49.647 69.821 1.00 24.23 ? O VAL A 281 1 -ATOM 2121 C CB . VAL A 1 281 . -5.906 51.000 69.425 1.00 25.83 ? CB VAL A 281 1 -ATOM 2122 C CG1 . VAL A 1 281 . -7.411 51.111 69.722 1.00 27.99 ? CG1 VAL A 281 1 -ATOM 2123 C CG2 . VAL A 1 281 . -5.501 52.081 68.401 1.00 30.18 ? CG2 VAL A 281 1 -ATOM 2124 N N . LEU A 1 282 . -2.624 51.588 70.698 1.00 20.87 ? N LEU A 282 1 -ATOM 2125 C CA . LEU A 1 282 . -1.259 51.173 70.351 1.00 23 ? CA LEU A 282 1 -ATOM 2126 C C . LEU A 1 282 . -0.893 49.880 71.054 1.00 27.86 ? C LEU A 282 1 -ATOM 2127 O O . LEU A 1 282 . -1.344 49.607 72.150 1.00 32.56 ? O LEU A 282 1 -ATOM 2128 C CB . LEU A 1 282 . -0.159 52.178 70.739 1.00 21.55 ? CB LEU A 282 1 -ATOM 2129 C CG . LEU A 1 282 . -0.144 53.460 69.926 1.00 18.06 ? CG LEU A 282 1 -ATOM 2130 C CD1 . LEU A 1 282 . 0.864 54.445 70.504 1.00 16.8 ? CD1 LEU A 282 1 -ATOM 2131 C CD2 . LEU A 1 282 . 0.197 53.174 68.463 1.00 26.92 ? CD2 LEU A 282 1 -ATOM 2132 N N . PRO A 1 283 . -0.024 49.098 70.427 1.00 30.7 ? N PRO A 283 1 -ATOM 2133 C CA . PRO A 1 283 . 0.402 47.861 71.049 1.00 32.14 ? CA PRO A 283 1 -ATOM 2134 C C . PRO A 1 283 . 1.517 48.007 72.090 1.00 33.95 ? C PRO A 283 1 -ATOM 2135 O O . PRO A 1 283 . 1.919 47.011 72.680 1.00 36.67 ? O PRO A 283 1 -ATOM 2136 C CB . PRO A 1 283 . 0.991 47.076 69.875 1.00 30.98 ? CB PRO A 283 1 -ATOM 2137 C CG . PRO A 1 283 . 1.456 48.150 68.884 1.00 33.78 ? CG PRO A 283 1 -ATOM 2138 C CD . PRO A 1 283 . 0.527 49.340 69.104 1.00 32 ? CD PRO A 283 1 -ATOM 2139 N N . PHE A 1 284 . 2.073 49.210 72.301 1.00 33.22 ? N PHE A 284 1 -ATOM 2140 C CA . PHE A 1 284 . 3.173 49.257 73.275 1.00 33.7 ? CA PHE A 284 1 -ATOM 2141 C C . PHE A 1 284 . 3.401 50.664 73.784 1.00 31.26 ? C PHE A 284 1 -ATOM 2142 O O . PHE A 1 284 . 2.904 51.640 73.250 1.00 35.29 ? O PHE A 284 1 -ATOM 2143 C CB . PHE A 1 284 . 4.480 48.725 72.623 1.00 37.6 ? CB PHE A 284 1 -ATOM 2144 C CG . PHE A 1 284 . 4.800 49.364 71.288 1.00 35.44 ? CG PHE A 284 1 -ATOM 2145 N N . ASP A 1 285 . 4.190 50.780 74.844 1.00 27.46 ? N ASP A 285 1 -ATOM 2146 C CA . ASP A 1 285 . 4.458 52.113 75.370 1.00 27.08 ? CA ASP A 285 1 -ATOM 2147 C C . ASP A 1 285 . 5.465 52.645 74.399 1.00 24.63 ? C ASP A 285 1 -ATOM 2148 O O . ASP A 1 285 . 6.459 51.963 74.202 1.00 23.44 ? O ASP A 285 1 -ATOM 2149 C CB . ASP A 1 285 . 5.088 52.010 76.783 1.00 32.77 ? CB ASP A 285 1 -ATOM 2150 C CG . ASP A 1 285 . 4.963 53.250 77.680 1.00 36.82 ? CG ASP A 285 1 -ATOM 2151 O OD1 . ASP A 1 285 . 4.601 54.334 77.200 1.00 41.07 ? OD1 ASP A 285 1 -ATOM 2152 O OD2 . ASP A 1 285 . 5.201 53.110 78.885 1.00 39.75 ? OD2 ASP A 285 1 -ATOM 2153 N N . SER A 1 286 . 5.244 53.807 73.796 1.00 22.2 ? N SER A 286 1 -ATOM 2154 C CA . SER A 1 286 . 6.287 54.187 72.865 1.00 20.31 ? CA SER A 286 1 -ATOM 2155 C C . SER A 1 286 . 6.190 55.639 72.579 1.00 20.85 ? C SER A 286 1 -ATOM 2156 O O . SER A 1 286 . 5.215 56.291 72.907 1.00 25.15 ? O SER A 286 1 -ATOM 2157 C CB . SER A 1 286 . 6.124 53.397 71.571 1.00 22.04 ? CB SER A 286 1 -ATOM 2158 N N . ILE A 1 287 . 7.231 56.149 71.957 1.00 20.58 ? N ILE A 287 1 -ATOM 2159 C CA . ILE A 1 287 . 7.316 57.542 71.600 1.00 18.81 ? CA ILE A 287 1 -ATOM 2160 C C . ILE A 1 287 . 7.566 57.539 70.101 1.00 23.59 ? C ILE A 287 1 -ATOM 2161 O O . ILE A 1 287 . 8.253 56.669 69.584 1.00 23.54 ? O ILE A 287 1 -ATOM 2162 C CB . ILE A 1 287 . 8.386 58.168 72.526 1.00 19.4 ? CB ILE A 287 1 -ATOM 2163 C CG1 . ILE A 1 287 . 7.674 58.758 73.738 1.00 26.33 ? CG1 ILE A 287 1 -ATOM 2164 C CG2 . ILE A 1 287 . 9.381 59.180 71.969 1.00 12.5 ? CG2 ILE A 287 1 -ATOM 2165 C CD1 . ILE A 1 287 . 6.783 59.964 73.388 1.00 37.57 ? CD1 ILE A 287 1 -ATOM 2166 N N . PHE A 1 288 . 6.980 58.527 69.409 1.00 22.61 ? N PHE A 288 1 -ATOM 2167 C CA . PHE A 1 288 . 7.142 58.613 67.965 1.00 18.77 ? CA PHE A 288 1 -ATOM 2168 C C . PHE A 1 288 . 6.488 57.438 67.263 1.00 17.49 ? C PHE A 288 1 -ATOM 2169 O O . PHE A 1 288 . 7.068 56.848 66.366 1.00 18.77 ? O PHE A 288 1 -ATOM 2170 C CB . PHE A 1 288 . 8.626 58.732 67.524 1.00 18.74 ? CB PHE A 288 1 -ATOM 2171 C CG . PHE A 1 288 . 8.842 59.709 66.391 1.00 20.03 ? CG PHE A 288 1 -ATOM 2172 C CD1 . PHE A 1 288 . 7.959 59.770 65.297 1.00 18.55 ? CD1 PHE A 288 1 -ATOM 2173 C CD2 . PHE A 1 288 . 9.937 60.591 66.439 1.00 20.66 ? CD2 PHE A 288 1 -ATOM 2174 C CE1 . PHE A 1 288 . 8.162 60.724 64.286 1.00 21.85 ? CE1 PHE A 288 1 -ATOM 2175 C CE2 . PHE A 1 288 . 10.152 61.527 65.417 1.00 18.68 ? CE2 PHE A 288 1 -ATOM 2176 C CZ . PHE A 1 288 . 9.258 61.601 64.342 1.00 18.73 ? CZ PHE A 288 1 -ATOM 2177 N N . ARG A 1 289 . 5.281 57.080 67.706 1.00 13.71 ? N ARG A 289 1 -ATOM 2178 C CA . ARG A 1 289 . 4.589 55.990 67.040 1.00 10.97 ? CA ARG A 289 1 -ATOM 2179 C C . ARG A 1 289 . 3.133 56.446 67.008 1.00 13.17 ? C ARG A 289 1 -ATOM 2180 O O . ARG A 1 289 . 2.672 57.044 67.976 1.00 15.46 ? O ARG A 289 1 -ATOM 2181 C CB . ARG A 1 289 . 4.870 54.676 67.752 1.00 7.32 ? CB ARG A 289 1 -ATOM 2182 C CG . ARG A 1 289 . 5.166 53.550 66.761 1.00 10.17 ? CG ARG A 289 1 -ATOM 2183 C CD . ARG A 1 289 . 6.592 52.986 66.804 1.00 8.16 ? CD ARG A 289 1 -ATOM 2184 N NE . ARG A 1 289 . 7.610 53.993 66.528 1.00 6.44 ? NE ARG A 289 1 -ATOM 2185 C CZ . ARG A 1 289 . 8.888 53.619 66.311 1.00 7.3 ? CZ ARG A 289 1 -ATOM 2186 N NH1 . ARG A 1 289 . 9.265 52.332 66.314 1.00 9.32 ? NH1 ARG A 289 1 -ATOM 2187 N NH2 . ARG A 1 289 . 9.799 54.549 66.100 1.00 2 ? NH2 ARG A 289 1 -ATOM 2188 N N . PHE A 1 290 . 2.423 56.202 65.890 1.00 13.8 ? N PHE A 290 1 -ATOM 2189 C CA . PHE A 1 290 . 1.030 56.669 65.753 1.00 7.02 ? CA PHE A 290 1 -ATOM 2190 C C . PHE A 1 290 . 0.166 55.475 65.563 1.00 7.77 ? C PHE A 290 1 -ATOM 2191 O O . PHE A 1 290 . 0.620 54.426 65.140 1.00 8.78 ? O PHE A 290 1 -ATOM 2192 C CB . PHE A 1 290 . 0.930 57.706 64.649 1.00 5.39 ? CB PHE A 290 1 -ATOM 2193 C CG . PHE A 1 290 . 2.049 58.697 64.835 1.00 6.71 ? CG PHE A 290 1 -ATOM 2194 C CD1 . PHE A 1 290 . 2.069 59.518 65.980 1.00 9.75 ? CD1 PHE A 290 1 -ATOM 2195 C CD2 . PHE A 1 290 . 3.094 58.785 63.908 1.00 5 ? CD2 PHE A 290 1 -ATOM 2196 C CE1 . PHE A 1 290 . 3.123 60.416 66.204 1.00 12.99 ? CE1 PHE A 290 1 -ATOM 2197 C CE2 . PHE A 1 290 . 4.152 59.683 64.134 1.00 15.4 ? CE2 PHE A 290 1 -ATOM 2198 C CZ . PHE A 1 290 . 4.175 60.502 65.278 1.00 13.61 ? CZ PHE A 290 1 -ATOM 2199 N N . SER A 1 291 . -1.106 55.638 65.857 1.00 8.32 ? N SER A 291 1 -ATOM 2200 C CA . SER A 1 291 . -1.972 54.462 65.823 1.00 16.13 ? CA SER A 291 1 -ATOM 2201 C C . SER A 1 291 . -2.512 54.045 64.482 1.00 17.73 ? C SER A 291 1 -ATOM 2202 O O . SER A 1 291 . -2.336 52.912 64.051 1.00 20.12 ? O SER A 291 1 -ATOM 2203 C CB . SER A 1 291 . -3.099 54.609 66.872 1.00 19.54 ? CB SER A 291 1 -ATOM 2204 O OG . SER A 1 291 . -3.357 56.010 67.071 1.00 33.63 ? OG SER A 291 1 -ATOM 2205 N N . PHE A 1 292 . -3.239 54.985 63.879 1.00 17.03 ? N PHE A 292 1 -ATOM 2206 C CA . PHE A 1 292 . -3.854 54.779 62.570 1.00 16.67 ? CA PHE A 292 1 -ATOM 2207 C C . PHE A 1 292 . -2.927 55.452 61.567 1.00 16.8 ? C PHE A 292 1 -ATOM 2208 O O . PHE A 1 292 . -2.770 56.670 61.518 1.00 15.5 ? O PHE A 292 1 -ATOM 2209 C CB . PHE A 1 292 . -5.270 55.372 62.539 1.00 17.52 ? CB PHE A 292 1 -ATOM 2210 C CG . PHE A 1 292 . -6.134 54.657 63.543 1.00 17.08 ? CG PHE A 292 1 -ATOM 2211 C CD1 . PHE A 1 292 . -6.500 53.322 63.309 1.00 15.4 ? CD1 PHE A 292 1 -ATOM 2212 C CD2 . PHE A 1 292 . -6.550 55.293 64.726 1.00 18.33 ? CD2 PHE A 292 1 -ATOM 2213 C CE1 . PHE A 1 292 . -7.267 52.620 64.249 1.00 18.53 ? CE1 PHE A 292 1 -ATOM 2214 C CE2 . PHE A 1 292 . -7.321 54.589 65.666 1.00 17.4 ? CE2 PHE A 292 1 -ATOM 2215 C CZ . PHE A 1 292 . -7.677 53.255 65.429 1.00 14.64 ? CZ PHE A 292 1 -ATOM 2216 N N . VAL A 1 293 . -2.289 54.601 60.776 1.00 12.34 ? N VAL A 293 1 -ATOM 2217 C CA . VAL A 1 293 . -1.336 55.080 59.827 1.00 8.67 ? CA VAL A 293 1 -ATOM 2218 C C . VAL A 1 293 . -1.555 54.254 58.525 1.00 12.18 ? C VAL A 293 1 -ATOM 2219 O O . VAL A 1 293 . -2.342 53.305 58.560 1.00 16.8 ? O VAL A 293 1 -ATOM 2220 C CB . VAL A 1 293 . -0.041 54.883 60.652 1.00 4.33 ? CB VAL A 293 1 -ATOM 2221 C CG1 . VAL A 1 293 . 0.600 53.521 60.414 1.00 2 ? CG1 VAL A 293 1 -ATOM 2222 C CG2 . VAL A 1 293 . 0.897 56.091 60.681 1.00 2 ? CG2 VAL A 293 1 -ATOM 2223 N N . PRO A 1 294 . -0.904 54.629 57.388 1.00 9.3 ? N PRO A 294 1 -ATOM 2224 C CA . PRO A 1 294 . -0.938 53.815 56.186 1.00 8.79 ? CA PRO A 294 1 -ATOM 2225 C C . PRO A 1 294 . -0.599 52.352 56.371 1.00 10.5 ? C PRO A 294 1 -ATOM 2226 O O . PRO A 1 294 . 0.323 51.972 57.076 1.00 9.56 ? O PRO A 294 1 -ATOM 2227 C CB . PRO A 1 294 . 0.094 54.478 55.268 1.00 6.8 ? CB PRO A 294 1 -ATOM 2228 C CG . PRO A 1 294 . 0.162 55.948 55.710 1.00 6.81 ? CG PRO A 294 1 -ATOM 2229 C CD . PRO A 1 294 . -0.242 55.919 57.186 1.00 9.07 ? CD PRO A 294 1 -ATOM 2230 N N . VAL A 1 295 . -1.359 51.520 55.684 1.00 11.41 ? N VAL A 295 1 -ATOM 2231 C CA . VAL A 1 295 . -1.144 50.105 55.753 1.00 11.66 ? CA VAL A 295 1 -ATOM 2232 C C . VAL A 1 295 . -0.563 49.626 54.426 1.00 11.36 ? C VAL A 295 1 -ATOM 2233 O O . VAL A 1 295 . -0.921 50.100 53.345 1.00 15.72 ? O VAL A 295 1 -ATOM 2234 C CB . VAL A 1 295 . -2.500 49.475 56.064 1.00 11.25 ? CB VAL A 295 1 -ATOM 2235 C CG1 . VAL A 1 295 . -3.536 49.665 54.957 1.00 11.82 ? CG1 VAL A 295 1 -ATOM 2236 C CG2 . VAL A 1 295 . -2.383 48.012 56.439 1.00 13.92 ? CG2 VAL A 295 1 -ATOM 2237 N N . ILE A 1 296 . 0.332 48.650 54.494 1.00 7.67 ? N ILE A 296 1 -ATOM 2238 C CA . ILE A 1 296 . 0.909 48.108 53.269 1.00 9.07 ? CA ILE A 296 1 -ATOM 2239 C C . ILE A 1 296 . -0.113 47.067 52.819 1.00 13.22 ? C ILE A 296 1 -ATOM 2240 O O . ILE A 1 296 . -0.081 45.901 53.170 1.00 16.51 ? O ILE A 296 1 -ATOM 2241 C CB . ILE A 1 296 . 2.320 47.588 53.556 1.00 3.19 ? CB ILE A 296 1 -ATOM 2242 C CG1 . ILE A 1 296 . 3.177 48.649 54.284 1.00 7.61 ? CG1 ILE A 296 1 -ATOM 2243 C CG2 . ILE A 1 296 . 3.046 47.123 52.298 1.00 9.21 ? CG2 ILE A 296 1 -ATOM 2244 C CD1 . ILE A 1 296 . 3.414 49.937 53.482 1.00 2 ? CD1 ILE A 296 1 -ATOM 2245 N N . ASP A 1 297 . -1.079 47.551 52.048 1.00 17.57 ? N ASP A 297 1 -ATOM 2246 C CA . ASP A 1 297 . -2.187 46.710 51.598 1.00 18.19 ? CA ASP A 297 1 -ATOM 2247 C C . ASP A 1 297 . -2.087 45.968 50.305 1.00 18.63 ? C ASP A 297 1 -ATOM 2248 O O . ASP A 1 297 . -3.040 45.291 49.965 1.00 20.4 ? O ASP A 297 1 -ATOM 2249 C CB . ASP A 1 297 . -3.443 47.587 51.441 1.00 21.53 ? CB ASP A 297 1 -ATOM 2250 C CG . ASP A 1 297 . -3.249 48.707 50.408 1.00 25.52 ? CG ASP A 297 1 -ATOM 2251 O OD1 . ASP A 1 297 . -2.118 48.919 49.965 1.00 25.27 ? OD1 ASP A 297 1 -ATOM 2252 O OD2 . ASP A 1 297 . -4.229 49.360 50.045 1.00 30.02 ? OD2 ASP A 297 1 -ATOM 2253 N N . GLY A 1 298 . -1.035 46.149 49.527 1.00 19.76 ? N GLY A 298 1 -ATOM 2254 C CA . GLY A 1 298 . -1.012 45.399 48.265 1.00 20.13 ? CA GLY A 298 1 -ATOM 2255 C C . GLY A 1 298 . -1.680 46.119 47.101 1.00 21.29 ? C GLY A 298 1 -ATOM 2256 O O . GLY A 1 298 . -1.650 45.683 45.964 1.00 21.74 ? O GLY A 298 1 -ATOM 2257 N N . GLU A 1 299 . -2.354 47.242 47.391 1.00 24.12 ? N GLU A 299 1 -ATOM 2258 C CA . GLU A 1 299 . -2.987 48.004 46.305 1.00 25.75 ? CA GLU A 299 1 -ATOM 2259 C C . GLU A 1 299 . -2.149 49.253 46.134 1.00 24.4 ? C GLU A 299 1 -ATOM 2260 O O . GLU A 1 299 . -1.330 49.372 45.239 1.00 26.48 ? O GLU A 299 1 -ATOM 2261 C CB . GLU A 1 299 . -4.484 48.325 46.503 1.00 25.83 ? CB GLU A 299 1 -ATOM 2262 C CG . GLU A 1 299 . -5.398 47.079 46.580 1.00 32.58 ? CG GLU A 299 1 -ATOM 2263 N N . PHE A 1 300 . -2.350 50.184 47.083 1.00 18.19 ? N PHE A 300 1 -ATOM 2264 C CA . PHE A 1 300 . -1.590 51.437 47.050 1.00 12.45 ? CA PHE A 300 1 -ATOM 2265 C C . PHE A 1 300 . -0.093 51.132 46.920 1.00 11.34 ? C PHE A 300 1 -ATOM 2266 O O . PHE A 1 300 . 0.658 51.681 46.131 1.00 13.48 ? O PHE A 300 1 -ATOM 2267 C CB . PHE A 1 300 . -1.975 52.258 48.291 1.00 7.9 ? CB PHE A 300 1 -ATOM 2268 C CG . PHE A 1 300 . -1.758 53.743 48.144 1.00 2.53 ? CG PHE A 300 1 -ATOM 2269 C CD1 . PHE A 1 300 . -0.450 54.264 48.217 1.00 2 ? CD1 PHE A 300 1 -ATOM 2270 C CD2 . PHE A 1 300 . -2.854 54.617 47.978 1.00 2 ? CD2 PHE A 300 1 -ATOM 2271 C CE1 . PHE A 1 300 . -0.238 55.646 48.138 1.00 2 ? CE1 PHE A 300 1 -ATOM 2272 C CE2 . PHE A 1 300 . -2.636 56.001 47.897 1.00 2.42 ? CE2 PHE A 300 1 -ATOM 2273 C CZ . PHE A 1 300 . -1.329 56.516 47.975 1.00 2 ? CZ PHE A 300 1 -ATOM 2274 N N . PHE A 1 301 . 0.338 50.182 47.740 1.00 13.91 ? N PHE A 301 1 -ATOM 2275 C CA . PHE A 1 301 . 1.728 49.748 47.685 1.00 16.4 ? CA PHE A 301 1 -ATOM 2276 C C . PHE A 1 301 . 1.552 48.355 47.154 1.00 17.78 ? C PHE A 301 1 -ATOM 2277 O O . PHE A 1 301 . 0.813 47.606 47.779 1.00 18.74 ? O PHE A 301 1 -ATOM 2278 C CB . PHE A 1 301 . 2.442 49.680 49.055 1.00 12.1 ? CB PHE A 301 1 -ATOM 2279 C CG . PHE A 1 301 . 2.334 50.999 49.759 1.00 8.05 ? CG PHE A 301 1 -ATOM 2280 C CD1 . PHE A 1 301 . 3.190 52.053 49.410 1.00 8.6 ? CD1 PHE A 301 1 -ATOM 2281 C CD2 . PHE A 1 301 . 1.335 51.199 50.731 1.00 7.13 ? CD2 PHE A 301 1 -ATOM 2282 C CE1 . PHE A 1 301 . 3.033 53.309 50.021 1.00 11.99 ? CE1 PHE A 301 1 -ATOM 2283 C CE2 . PHE A 1 301 . 1.180 52.448 51.337 1.00 7.18 ? CE2 PHE A 301 1 -ATOM 2284 C CZ . PHE A 1 301 . 2.027 53.509 50.983 1.00 6.39 ? CZ PHE A 301 1 -ATOM 2285 N N . PRO A 1 302 . 2.178 48.011 46.027 1.00 22.94 ? N PRO A 302 1 -ATOM 2286 C CA . PRO A 1 302 . 2.077 46.642 45.548 1.00 24.21 ? CA PRO A 302 1 -ATOM 2287 C C . PRO A 1 302 . 2.809 45.660 46.448 1.00 26.54 ? C PRO A 302 1 -ATOM 2288 O O . PRO A 1 302 . 2.337 44.569 46.749 1.00 30.3 ? O PRO A 302 1 -ATOM 2289 C CB . PRO A 1 302 . 2.681 46.708 44.135 1.00 22.95 ? CB PRO A 302 1 -ATOM 2290 C CG . PRO A 1 302 . 3.442 48.048 44.018 1.00 21.28 ? CG PRO A 302 1 -ATOM 2291 C CD . PRO A 1 302 . 2.862 48.938 45.116 1.00 25.04 ? CD PRO A 302 1 -ATOM 2292 N N . THR A 1 303 . 4.011 46.070 46.872 1.00 24.95 ? N THR A 303 1 -ATOM 2293 C CA . THR A 1 303 . 4.819 45.204 47.717 1.00 23.35 ? CA THR A 303 1 -ATOM 2294 C C . THR A 1 303 . 5.359 46.023 48.858 1.00 21.75 ? C THR A 303 1 -ATOM 2295 O O . THR A 1 303 . 5.061 47.188 49.080 1.00 22.57 ? O THR A 303 1 -ATOM 2296 C CB . THR A 1 303 . 5.960 44.619 46.857 1.00 24.02 ? CB THR A 303 1 -ATOM 2297 O OG1 . THR A 1 303 . 5.373 44.118 45.672 1.00 35.66 ? OG1 THR A 303 1 -ATOM 2298 C CG2 . THR A 1 303 . 6.781 43.426 47.395 1.00 32.95 ? CG2 THR A 303 1 -ATOM 2299 N N . SER A 1 304 . 6.179 45.353 49.634 1.00 19.64 ? N SER A 304 1 -ATOM 2300 C CA . SER A 1 304 . 6.777 46.036 50.737 1.00 22 ? CA SER A 304 1 -ATOM 2301 C C . SER A 1 304 . 7.647 47.171 50.223 1.00 20.4 ? C SER A 304 1 -ATOM 2302 O O . SER A 1 304 . 8.325 47.026 49.214 1.00 21.63 ? O SER A 304 1 -ATOM 2303 C CB . SER A 1 304 . 7.617 45.022 51.523 1.00 25.76 ? CB SER A 304 1 -ATOM 2304 O OG . SER A 1 304 . 8.746 44.583 50.764 1.00 28.88 ? OG SER A 304 1 -ATOM 2305 N N . LEU A 1 305 . 7.668 48.268 50.974 1.00 17.53 ? N LEU A 305 1 -ATOM 2306 C CA . LEU A 1 305 . 8.469 49.379 50.532 1.00 16.57 ? CA LEU A 305 1 -ATOM 2307 C C . LEU A 1 305 . 9.931 49.020 50.352 1.00 19.69 ? C LEU A 305 1 -ATOM 2308 O O . LEU A 1 305 . 10.656 49.623 49.579 1.00 24.75 ? O LEU A 305 1 -ATOM 2309 C CB . LEU A 1 305 . 8.384 50.527 51.537 1.00 12.69 ? CB LEU A 305 1 -ATOM 2310 C CG . LEU A 1 305 . 6.978 50.885 52.035 1.00 13 ? CG LEU A 305 1 -ATOM 2311 C CD1 . LEU A 1 305 . 7.040 52.244 52.743 1.00 15.7 ? CD1 LEU A 305 1 -ATOM 2312 C CD2 . LEU A 1 305 . 5.920 50.939 50.919 1.00 16.88 ? CD2 LEU A 305 1 -ATOM 2313 N N . GLU A 1 306 . 10.385 48.013 51.088 1.00 21.26 ? N GLU A 306 1 -ATOM 2314 C CA . GLU A 1 306 . 11.788 47.694 50.939 1.00 23.53 ? CA GLU A 306 1 -ATOM 2315 C C . GLU A 1 306 . 12.068 47.065 49.589 1.00 26.4 ? C GLU A 306 1 -ATOM 2316 O O . GLU A 1 306 . 13.099 47.362 48.988 1.00 26.99 ? O GLU A 306 1 -ATOM 2317 C CB . GLU A 1 306 . 12.304 46.861 52.115 1.00 27.54 ? CB GLU A 306 1 -ATOM 2318 C CG . GLU A 1 306 . 13.848 46.784 52.138 1.00 36.12 ? CG GLU A 306 1 -ATOM 2319 C CD . GLU A 1 306 . 14.553 48.135 52.349 1.00 42.13 ? CD GLU A 306 1 -ATOM 2320 O OE1 . GLU A 1 306 . 13.897 49.103 52.749 1.00 48.53 ? OE1 GLU A 306 1 -ATOM 2321 O OE2 . GLU A 1 306 . 15.763 48.207 52.113 1.00 41.09 ? OE2 GLU A 306 1 -ATOM 2322 N N . SER A 1 307 . 11.155 46.186 49.122 1.00 24.56 ? N SER A 307 1 -ATOM 2323 C CA . SER A 1 307 . 11.386 45.608 47.794 1.00 23.34 ? CA SER A 307 1 -ATOM 2324 C C . SER A 1 307 . 11.332 46.696 46.751 1.00 22.27 ? C SER A 307 1 -ATOM 2325 O O . SER A 1 307 . 12.171 46.808 45.879 1.00 25.5 ? O SER A 307 1 -ATOM 2326 C CB . SER A 1 307 . 10.291 44.624 47.401 1.00 25.32 ? CB SER A 307 1 -ATOM 2327 O OG . SER A 1 307 . 10.486 43.433 48.131 1.00 35.53 ? OG SER A 307 1 -ATOM 2328 N N . MET A 1 308 . 10.309 47.540 46.867 1.00 18.81 ? N MET A 308 1 -ATOM 2329 C CA . MET A 1 308 . 10.191 48.616 45.913 1.00 14.66 ? CA MET A 308 1 -ATOM 2330 C C . MET A 1 308 . 11.475 49.436 45.845 1.00 16.78 ? C MET A 308 1 -ATOM 2331 O O . MET A 1 308 . 12.003 49.676 44.766 1.00 18.54 ? O MET A 308 1 -ATOM 2332 C CB . MET A 1 308 . 8.931 49.437 46.194 1.00 10.18 ? CB MET A 308 1 -ATOM 2333 C CG . MET A 1 308 . 7.683 48.546 46.106 1.00 9.23 ? CG MET A 308 1 -ATOM 2334 S SD . MET A 1 308 . 6.168 49.530 46.289 1.00 18.45 ? SD MET A 308 1 -ATOM 2335 C CE . MET A 1 308 . 6.091 50.363 44.685 1.00 12.01 ? CE MET A 308 1 -ATOM 2336 N N . LEU A 1 309 . 11.991 49.825 47.011 1.00 16.99 ? N LEU A 309 1 -ATOM 2337 C CA . LEU A 1 309 . 13.222 50.592 46.993 1.00 17.95 ? CA LEU A 309 1 -ATOM 2338 C C . LEU A 1 309 . 14.345 49.795 46.357 1.00 17.65 ? C LEU A 309 1 -ATOM 2339 O O . LEU A 1 309 . 15.151 50.301 45.592 1.00 16.1 ? O LEU A 309 1 -ATOM 2340 C CB . LEU A 1 309 . 13.666 51.032 48.407 1.00 17.08 ? CB LEU A 309 1 -ATOM 2341 C CG . LEU A 1 309 . 12.687 52.013 49.072 1.00 19.36 ? CG LEU A 309 1 -ATOM 2342 C CD1 . LEU A 1 309 . 12.952 52.089 50.571 1.00 21.6 ? CD1 LEU A 309 1 -ATOM 2343 C CD2 . LEU A 1 309 . 12.728 53.417 48.462 1.00 21.39 ? CD2 LEU A 309 1 -ATOM 2344 N N . ASN A 1 310 . 14.386 48.511 46.680 1.00 21 ? N ASN A 310 1 -ATOM 2345 C CA . ASN A 1 310 . 15.469 47.696 46.131 1.00 24.25 ? CA ASN A 310 1 -ATOM 2346 C C . ASN A 1 310 . 15.341 47.420 44.651 1.00 23.67 ? C ASN A 310 1 -ATOM 2347 O O . ASN A 1 310 . 16.341 47.175 43.994 1.00 28.49 ? O ASN A 310 1 -ATOM 2348 C CB . ASN A 1 310 . 15.643 46.361 46.879 1.00 22.68 ? CB ASN A 310 1 -ATOM 2349 N N . SER A 1 311 . 14.126 47.470 44.120 1.00 22.33 ? N SER A 311 1 -ATOM 2350 C CA . SER A 1 311 . 13.956 47.185 42.700 1.00 20.64 ? CA SER A 311 1 -ATOM 2351 C C . SER A 1 311 . 13.793 48.386 41.819 1.00 19.56 ? C SER A 311 1 -ATOM 2352 O O . SER A 1 311 . 13.630 48.256 40.625 1.00 23.99 ? O SER A 311 1 -ATOM 2353 C CB . SER A 1 311 . 12.680 46.370 42.501 1.00 17.52 ? CB SER A 311 1 -ATOM 2354 O OG . SER A 1 311 . 12.759 45.201 43.314 1.00 28.32 ? OG SER A 311 1 -ATOM 2355 N N . GLY A 1 312 . 13.792 49.586 42.366 1.00 22.66 ? N GLY A 312 1 -ATOM 2356 C CA . GLY A 1 312 . 13.590 50.708 41.450 1.00 16.05 ? CA GLY A 312 1 -ATOM 2357 C C . GLY A 1 312 . 12.176 50.853 41.018 1.00 15.93 ? C GLY A 312 1 -ATOM 2358 O O . GLY A 1 312 . 11.823 51.512 40.050 1.00 16.26 ? O GLY A 312 1 -ATOM 2359 N N . ASN A 1 313 . 11.317 50.212 41.788 1.00 13.55 ? N ASN A 313 1 -ATOM 2360 C CA . ASN A 1 313 . 9.934 50.273 41.428 1.00 12.79 ? CA ASN A 313 1 -ATOM 2361 C C . ASN A 1 313 . 9.345 51.562 41.939 1.00 14.18 ? C ASN A 313 1 -ATOM 2362 O O . ASN A 1 313 . 8.511 51.543 42.827 1.00 17.05 ? O ASN A 313 1 -ATOM 2363 C CB . ASN A 1 313 . 9.246 49.058 42.036 1.00 9.57 ? CB ASN A 313 1 -ATOM 2364 C CG . ASN A 1 313 . 7.795 48.867 41.661 1.00 9.15 ? CG ASN A 313 1 -ATOM 2365 O OD1 . ASN A 1 313 . 7.154 47.935 42.126 1.00 17.83 ? OD1 ASN A 313 1 -ATOM 2366 N ND2 . ASN A 1 313 . 7.261 49.725 40.809 1.00 7.64 ? ND2 ASN A 313 1 -ATOM 2367 N N . PHE A 1 314 . 9.769 52.687 41.365 1.00 12.17 ? N PHE A 314 1 -ATOM 2368 C CA . PHE A 1 314 . 9.246 53.960 41.811 1.00 11.47 ? CA PHE A 314 1 -ATOM 2369 C C . PHE A 1 314 . 9.491 55.002 40.742 1.00 9.09 ? C PHE A 314 1 -ATOM 2370 O O . PHE A 1 314 . 10.292 54.813 39.841 1.00 11.88 ? O PHE A 314 1 -ATOM 2371 C CB . PHE A 1 314 . 9.927 54.378 43.142 1.00 8.27 ? CB PHE A 314 1 -ATOM 2372 C CG . PHE A 1 314 . 11.439 54.212 43.190 1.00 5.34 ? CG PHE A 314 1 -ATOM 2373 C CD1 . PHE A 1 314 . 12.275 55.125 42.522 1.00 5.5 ? CD1 PHE A 314 1 -ATOM 2374 C CD2 . PHE A 1 314 . 12.032 53.161 43.921 1.00 6.88 ? CD2 PHE A 314 1 -ATOM 2375 C CE1 . PHE A 1 314 . 13.670 55.013 42.589 1.00 5.64 ? CE1 PHE A 314 1 -ATOM 2376 C CE2 . PHE A 1 314 . 13.434 53.046 43.990 1.00 6.23 ? CE2 PHE A 314 1 -ATOM 2377 C CZ . PHE A 1 314 . 14.252 53.974 43.326 1.00 8.11 ? CZ PHE A 314 1 -ATOM 2378 N N . LYS A 1 315 . 8.780 56.117 40.865 1.00 6.19 ? N LYS A 315 1 -ATOM 2379 C CA . LYS A 1 315 . 8.949 57.212 39.930 1.00 5.55 ? CA LYS A 315 1 -ATOM 2380 C C . LYS A 1 315 . 10.401 57.689 39.991 1.00 8.59 ? C LYS A 315 1 -ATOM 2381 O O . LYS A 1 315 . 10.940 57.798 41.078 1.00 11.14 ? O LYS A 315 1 -ATOM 2382 C CB . LYS A 1 315 . 8.034 58.359 40.375 1.00 2 ? CB LYS A 315 1 -ATOM 2383 C CG . LYS A 1 315 . 7.791 59.418 39.309 1.00 2 ? CG LYS A 315 1 -ATOM 2384 C CD . LYS A 1 315 . 6.984 60.602 39.844 1.00 5.62 ? CD LYS A 315 1 -ATOM 2385 C CE . LYS A 1 315 . 7.012 61.841 38.941 1.00 2.23 ? CE LYS A 315 1 -ATOM 2386 N NZ . LYS A 1 315 . 6.314 61.584 37.702 1.00 7.21 ? NZ LYS A 315 1 -ATOM 2387 N N . LYS A 1 316 . 11.009 57.995 38.832 1.00 11.74 ? N LYS A 316 1 -ATOM 2388 C CA . LYS A 1 316 . 12.404 58.456 38.780 1.00 11.54 ? CA LYS A 316 1 -ATOM 2389 C C . LYS A 1 316 . 12.451 59.858 38.240 1.00 13.56 ? C LYS A 316 1 -ATOM 2390 O O . LYS A 1 316 . 12.348 60.074 37.049 1.00 20.69 ? O LYS A 316 1 -ATOM 2391 C CB . LYS A 1 316 . 13.171 57.521 37.864 1.00 8.26 ? CB LYS A 316 1 -ATOM 2392 C CG . LYS A 1 316 . 13.127 56.119 38.485 1.00 16.81 ? CG LYS A 316 1 -ATOM 2393 C CD . LYS A 1 316 . 13.289 54.969 37.505 1.00 20.85 ? CD LYS A 316 1 -ATOM 2394 C CE . LYS A 1 316 . 12.902 53.663 38.201 1.00 26.47 ? CE LYS A 316 1 -ATOM 2395 N NZ . LYS A 1 316 . 13.286 52.521 37.401 1.00 38.01 ? NZ LYS A 316 1 -ATOM 2396 N N . THR A 1 317 . 12.594 60.814 39.134 1.00 14.01 ? N THR A 317 1 -ATOM 2397 C CA . THR A 1 317 . 12.652 62.244 38.864 1.00 9.79 ? CA THR A 317 1 -ATOM 2398 C C . THR A 1 317 . 13.686 62.692 39.841 1.00 10.09 ? C THR A 317 1 -ATOM 2399 O O . THR A 1 317 . 14.387 61.834 40.377 1.00 14.11 ? O THR A 317 1 -ATOM 2400 C CB . THR A 1 317 . 11.268 62.826 39.158 1.00 8.4 ? CB THR A 317 1 -ATOM 2401 O OG1 . THR A 1 317 . 11.163 64.217 38.919 1.00 3.2 ? OG1 THR A 317 1 -ATOM 2402 C CG2 . THR A 1 317 . 10.726 62.508 40.561 1.00 13.38 ? CG2 THR A 317 1 -ATOM 2403 N N . GLN A 1 318 . 13.803 63.988 40.092 1.00 6.37 ? N GLN A 318 1 -ATOM 2404 C CA . GLN A 1 318 . 14.777 64.420 41.073 1.00 12.87 ? CA GLN A 318 1 -ATOM 2405 C C . GLN A 1 318 . 13.988 64.827 42.278 1.00 14.14 ? C GLN A 318 1 -ATOM 2406 O O . GLN A 1 318 . 12.856 65.269 42.127 1.00 16.56 ? O GLN A 318 1 -ATOM 2407 C CB . GLN A 1 318 . 15.678 65.574 40.599 1.00 15.58 ? CB GLN A 318 1 -ATOM 2408 C CG . GLN A 1 318 . 14.988 66.667 39.762 1.00 19.31 ? CG GLN A 318 1 -ATOM 2409 C CD . GLN A 1 318 . 14.540 66.130 38.419 1.00 22.16 ? CD GLN A 318 1 -ATOM 2410 O OE1 . GLN A 1 318 . 13.369 66.144 38.104 1.00 23.76 ? OE1 GLN A 318 1 -ATOM 2411 N NE2 . GLN A 1 318 . 15.466 65.585 37.653 1.00 23.65 ? NE2 GLN A 318 1 -ATOM 2412 N N . ILE A 1 319 . 14.601 64.668 43.460 1.00 14.51 ? N ILE A 319 1 -ATOM 2413 C CA . ILE A 1 319 . 13.962 65.028 44.715 1.00 13.89 ? CA ILE A 319 1 -ATOM 2414 C C . ILE A 1 319 . 14.935 65.892 45.481 1.00 13.76 ? C ILE A 319 1 -ATOM 2415 O O . ILE A 1 319 . 16.143 65.848 45.224 1.00 15.41 ? O ILE A 319 1 -ATOM 2416 C CB . ILE A 1 319 . 13.606 63.764 45.533 1.00 8.68 ? CB ILE A 319 1 -ATOM 2417 C CG1 . ILE A 1 319 . 14.810 62.833 45.701 1.00 9.47 ? CG1 ILE A 319 1 -ATOM 2418 C CG2 . ILE A 1 319 . 12.439 63.029 44.879 1.00 8.02 ? CG2 ILE A 319 1 -ATOM 2419 C CD1 . ILE A 1 319 . 14.535 61.645 46.616 1.00 10.02 ? CD1 ILE A 319 1 -ATOM 2420 N N . LEU A 1 320 . 14.374 66.653 46.433 1.00 12.95 ? N LEU A 320 1 -ATOM 2421 C CA . LEU A 1 320 . 15.133 67.534 47.325 1.00 13.55 ? CA LEU A 320 1 -ATOM 2422 C C . LEU A 1 320 . 14.604 67.179 48.708 1.00 16.92 ? C LEU A 320 1 -ATOM 2423 O O . LEU A 1 320 . 13.402 67.300 48.938 1.00 17.93 ? O LEU A 320 1 -ATOM 2424 C CB . LEU A 1 320 . 14.885 68.995 46.946 1.00 10.04 ? CB LEU A 320 1 -ATOM 2425 C CG . LEU A 1 320 . 15.616 70.015 47.806 1.00 2.89 ? CG LEU A 320 1 -ATOM 2426 C CD1 . LEU A 1 320 . 15.902 71.283 46.999 1.00 2 ? CD1 LEU A 320 1 -ATOM 2427 C CD2 . LEU A 1 320 . 14.777 70.365 49.034 1.00 2 ? CD2 LEU A 320 1 -ATOM 2428 N N . LEU A 1 321 . 15.471 66.724 49.628 1.00 19.13 ? N LEU A 321 1 -ATOM 2429 C CA . LEU A 1 321 . 14.983 66.334 50.959 1.00 20.76 ? CA LEU A 321 1 -ATOM 2430 C C . LEU A 1 321 . 15.948 66.716 52.073 1.00 21.85 ? C LEU A 321 1 -ATOM 2431 O O . LEU A 1 321 . 17.080 67.123 51.823 1.00 21.77 ? O LEU A 321 1 -ATOM 2432 C CB . LEU A 1 321 . 14.567 64.848 50.994 1.00 13.85 ? CB LEU A 321 1 -ATOM 2433 C CG . LEU A 1 321 . 15.662 63.771 50.878 1.00 10.01 ? CG LEU A 321 1 -ATOM 2434 C CD1 . LEU A 1 321 . 14.969 62.419 50.669 1.00 14.33 ? CD1 LEU A 321 1 -ATOM 2435 C CD2 . LEU A 1 321 . 16.697 64.033 49.786 1.00 12.34 ? CD2 LEU A 321 1 -ATOM 2436 N N . GLY A 1 322 . 15.474 66.606 53.323 1.00 20.68 ? N GLY A 322 1 -ATOM 2437 C CA . GLY A 1 322 . 16.364 66.975 54.413 1.00 21.02 ? CA GLY A 322 1 -ATOM 2438 C C . GLY A 1 322 . 15.837 66.670 55.788 1.00 20.39 ? C GLY A 322 1 -ATOM 2439 O O . GLY A 1 322 . 14.748 66.148 56.012 1.00 17.65 ? O GLY A 322 1 -ATOM 2440 N N . VAL A 1 323 . 16.676 67.039 56.737 1.00 19.21 ? N VAL A 323 1 -ATOM 2441 C CA . VAL A 1 323 . 16.454 66.802 58.135 1.00 16.39 ? CA VAL A 323 1 -ATOM 2442 C C . VAL A 1 323 . 16.833 68.060 58.918 1.00 18.43 ? C VAL A 323 1 -ATOM 2443 O O . VAL A 1 323 . 17.569 68.917 58.453 1.00 21.23 ? O VAL A 323 1 -ATOM 2444 C CB . VAL A 1 323 . 17.385 65.595 58.390 1.00 13.97 ? CB VAL A 323 1 -ATOM 2445 C CG1 . VAL A 1 323 . 18.247 65.660 59.636 1.00 22.44 ? CG1 VAL A 323 1 -ATOM 2446 C CG2 . VAL A 1 323 . 16.668 64.246 58.256 1.00 12.08 ? CG2 VAL A 323 1 -ATOM 2447 N N . ASN A 1 324 . 16.312 68.130 60.140 1.00 19.64 ? N ASN A 324 1 -ATOM 2448 C CA . ASN A 1 324 . 16.576 69.232 61.065 1.00 20.25 ? CA ASN A 324 1 -ATOM 2449 C C . ASN A 1 324 . 17.483 68.638 62.123 1.00 18.45 ? C ASN A 324 1 -ATOM 2450 O O . ASN A 1 324 . 17.417 67.451 62.429 1.00 17.84 ? O ASN A 324 1 -ATOM 2451 C CB . ASN A 1 324 . 15.325 69.717 61.812 1.00 22.56 ? CB ASN A 324 1 -ATOM 2452 C CG . ASN A 1 324 . 14.487 70.641 60.991 1.00 27.51 ? CG ASN A 324 1 -ATOM 2453 O OD1 . ASN A 1 324 . 14.739 70.895 59.826 1.00 37.47 ? OD1 ASN A 324 1 -ATOM 2454 N ND2 . ASN A 1 324 . 13.440 71.163 61.614 1.00 29.83 ? ND2 ASN A 324 1 -ATOM 2455 N N . LYS A 1 325 . 18.277 69.490 62.736 1.00 16.85 ? N LYS A 325 1 -ATOM 2456 C CA . LYS A 1 325 . 19.209 69.004 63.749 1.00 18.86 ? CA LYS A 325 1 -ATOM 2457 C C . LYS A 1 325 . 18.633 68.269 64.972 1.00 19.76 ? C LYS A 325 1 -ATOM 2458 O O . LYS A 1 325 . 19.155 67.238 65.376 1.00 22.32 ? O LYS A 325 1 -ATOM 2459 C CB . LYS A 1 325 . 20.041 70.206 64.203 1.00 19.84 ? CB LYS A 325 1 -ATOM 2460 C CG . LYS A 1 325 . 21.235 69.913 65.106 1.00 18.37 ? CG LYS A 325 1 -ATOM 2461 C CD . LYS A 1 325 . 21.879 71.216 65.602 1.00 23.69 ? CD LYS A 325 1 -ATOM 2462 C CE . LYS A 1 325 . 22.953 70.945 66.686 1.00 31.93 ? CE LYS A 325 1 -ATOM 2463 N N . ASP A 1 326 . 17.564 68.800 65.589 1.00 19 ? N ASP A 326 1 -ATOM 2464 C CA . ASP A 1 326 . 16.997 68.168 66.786 1.00 15.13 ? CA ASP A 326 1 -ATOM 2465 C C . ASP A 1 326 . 15.582 67.685 66.541 1.00 15.41 ? C ASP A 326 1 -ATOM 2466 O O . ASP A 1 326 . 14.554 68.246 66.915 1.00 17.38 ? O ASP A 326 1 -ATOM 2467 C CB . ASP A 1 326 . 17.045 69.147 67.964 1.00 14.86 ? CB ASP A 326 1 -ATOM 2468 C CG . ASP A 1 326 . 18.481 69.585 68.202 1.00 15.21 ? CG ASP A 326 1 -ATOM 2469 O OD1 . ASP A 1 326 . 19.246 68.787 68.744 1.00 12.3 ? OD1 ASP A 326 1 -ATOM 2470 O OD2 . ASP A 1 326 . 18.837 70.705 67.836 1.00 17.21 ? OD2 ASP A 326 1 -ATOM 2471 N N . GLU A 1 327 . 15.548 66.544 65.869 1.00 15.52 ? N GLU A 327 1 -ATOM 2472 C CA . GLU A 1 327 . 14.229 66.004 65.564 1.00 13.42 ? CA GLU A 327 1 -ATOM 2473 C C . GLU A 1 327 . 13.532 65.379 66.751 1.00 10.57 ? C GLU A 327 1 -ATOM 2474 O O . GLU A 1 327 . 12.316 65.300 66.771 1.00 9.81 ? O GLU A 327 1 -ATOM 2475 C CB . GLU A 1 327 . 14.333 64.889 64.496 1.00 17.15 ? CB GLU A 327 1 -ATOM 2476 C CG . GLU A 1 327 . 14.964 65.334 63.166 1.00 18.52 ? CG GLU A 327 1 -ATOM 2477 C CD . GLU A 1 327 . 13.970 66.056 62.282 1.00 19.62 ? CD GLU A 327 1 -ATOM 2478 O OE1 . GLU A 1 327 . 12.931 66.484 62.781 1.00 21.93 ? OE1 GLU A 327 1 -ATOM 2479 O OE2 . GLU A 1 327 . 14.237 66.179 61.090 1.00 16.45 ? OE2 GLU A 327 1 -ATOM 2480 N N . GLY A 1 328 . 14.326 64.899 67.718 1.00 11.45 ? N GLY A 328 1 -ATOM 2481 C CA . GLY A 1 328 . 13.742 64.223 68.891 1.00 9.29 ? CA GLY A 328 1 -ATOM 2482 C C . GLY A 1 328 . 13.019 65.075 69.925 1.00 5.98 ? C GLY A 328 1 -ATOM 2483 O O . GLY A 1 328 . 11.947 64.733 70.402 1.00 5.07 ? O GLY A 328 1 -ATOM 2484 N N . SER A 1 329 . 13.605 66.213 70.250 1.00 4.05 ? N SER A 329 1 -ATOM 2485 C CA . SER A 1 329 . 13.070 67.137 71.237 1.00 6.39 ? CA SER A 329 1 -ATOM 2486 C C . SER A 1 329 . 11.602 67.111 71.523 1.00 9.36 ? C SER A 329 1 -ATOM 2487 O O . SER A 1 329 . 11.178 66.831 72.631 1.00 15.58 ? O SER A 329 1 -ATOM 2488 C CB . SER A 1 329 . 13.402 68.587 70.876 1.00 4.71 ? CB SER A 329 1 -ATOM 2489 O OG . SER A 1 329 . 14.743 68.550 70.442 1.00 15.15 ? OG SER A 329 1 -ATOM 2490 N N . PHE A 1 330 . 10.831 67.435 70.503 1.00 10.03 ? N PHE A 330 1 -ATOM 2491 C CA . PHE A 1 330 . 9.388 67.504 70.670 1.00 9.24 ? CA PHE A 330 1 -ATOM 2492 C C . PHE A 1 330 . 8.801 66.222 71.233 1.00 11.37 ? C PHE A 330 1 -ATOM 2493 O O . PHE A 1 330 . 7.995 66.250 72.151 1.00 14.67 ? O PHE A 330 1 -ATOM 2494 C CB . PHE A 1 330 . 8.797 67.941 69.310 1.00 9.9 ? CB PHE A 330 1 -ATOM 2495 C CG . PHE A 1 330 . 7.361 67.570 69.090 1.00 5.23 ? CG PHE A 330 1 -ATOM 2496 C CD1 . PHE A 1 330 . 6.355 68.074 69.932 1.00 7.49 ? CD1 PHE A 330 1 -ATOM 2497 C CD2 . PHE A 1 330 . 7.029 66.699 68.050 1.00 2 ? CD2 PHE A 330 1 -ATOM 2498 C CE1 . PHE A 1 330 . 5.016 67.694 69.746 1.00 5.45 ? CE1 PHE A 330 1 -ATOM 2499 C CE2 . PHE A 1 330 . 5.702 66.309 67.869 1.00 6.92 ? CE2 PHE A 330 1 -ATOM 2500 C CZ . PHE A 1 330 . 4.692 66.803 68.719 1.00 7.06 ? CZ PHE A 330 1 -ATOM 2501 N N . PHE A 1 331 . 9.253 65.093 70.703 1.00 10.22 ? N PHE A 331 1 -ATOM 2502 C CA . PHE A 1 331 . 8.704 63.827 71.186 1.00 9.49 ? CA PHE A 331 1 -ATOM 2503 C C . PHE A 1 331 . 9.104 63.550 72.605 1.00 10.53 ? C PHE A 331 1 -ATOM 2504 O O . PHE A 1 331 . 8.302 63.082 73.401 1.00 18.03 ? O PHE A 331 1 -ATOM 2505 C CB . PHE A 1 331 . 9.108 62.653 70.283 1.00 5.51 ? CB PHE A 331 1 -ATOM 2506 C CG . PHE A 1 331 . 8.718 62.957 68.870 1.00 7.87 ? CG PHE A 331 1 -ATOM 2507 C CD1 . PHE A 1 331 . 9.586 63.696 68.044 1.00 9.94 ? CD1 PHE A 331 1 -ATOM 2508 C CD2 . PHE A 1 331 . 7.436 62.607 68.414 1.00 7.15 ? CD2 PHE A 331 1 -ATOM 2509 C CE1 . PHE A 1 331 . 9.155 64.126 66.787 1.00 9.44 ? CE1 PHE A 331 1 -ATOM 2510 C CE2 . PHE A 1 331 . 7.007 63.035 67.154 1.00 9.46 ? CE2 PHE A 331 1 -ATOM 2511 C CZ . PHE A 1 331 . 7.863 63.800 66.344 1.00 11.59 ? CZ PHE A 331 1 -ATOM 2512 N N . LEU A 1 332 . 10.375 63.847 72.918 1.00 9.05 ? N LEU A 332 1 -ATOM 2513 C CA . LEU A 1 332 . 10.840 63.607 74.285 1.00 7.07 ? CA LEU A 332 1 -ATOM 2514 C C . LEU A 1 332 . 10.027 64.468 75.245 1.00 7.31 ? C LEU A 332 1 -ATOM 2515 O O . LEU A 1 332 . 9.320 63.979 76.117 1.00 5.4 ? O LEU A 332 1 -ATOM 2516 C CB . LEU A 1 332 . 12.349 63.825 74.423 1.00 2 ? CB LEU A 332 1 -ATOM 2517 C CG . LEU A 1 332 . 13.172 62.733 73.743 1.00 2 ? CG LEU A 332 1 -ATOM 2518 C CD1 . LEU A 1 332 . 14.622 63.164 73.595 1.00 2 ? CD1 LEU A 332 1 -ATOM 2519 C CD2 . LEU A 1 332 . 13.094 61.403 74.488 1.00 2 ? CD2 LEU A 332 1 -ATOM 2520 N N . LEU A 1 333 . 10.102 65.774 75.008 1.00 4.82 ? N LEU A 333 1 -ATOM 2521 C CA . LEU A 1 333 . 9.359 66.732 75.799 1.00 4.67 ? CA LEU A 333 1 -ATOM 2522 C C . LEU A 1 333 . 7.899 66.344 76.002 1.00 6.42 ? C LEU A 333 1 -ATOM 2523 O O . LEU A 1 333 . 7.330 66.523 77.071 1.00 13.53 ? O LEU A 333 1 -ATOM 2524 C CB . LEU A 1 333 . 9.460 68.073 75.079 1.00 6.73 ? CB LEU A 333 1 -ATOM 2525 C CG . LEU A 1 333 . 8.757 69.310 75.682 1.00 8.9 ? CG LEU A 333 1 -ATOM 2526 C CD1 . LEU A 1 333 . 7.382 69.539 75.101 1.00 9.01 ? CD1 LEU A 333 1 -ATOM 2527 C CD2 . LEU A 1 333 . 8.713 69.365 77.212 1.00 12.87 ? CD2 LEU A 333 1 -ATOM 2528 N N . TYR A 1 334 . 7.280 65.785 74.975 1.00 6.07 ? N TYR A 334 1 -ATOM 2529 C CA . TYR A 1 334 . 5.871 65.437 75.152 1.00 6.57 ? CA TYR A 334 1 -ATOM 2530 C C . TYR A 1 334 . 5.629 64.108 75.786 1.00 6.32 ? C TYR A 334 1 -ATOM 2531 O O . TYR A 1 334 . 4.517 63.901 76.249 1.00 8.62 ? O TYR A 334 1 -ATOM 2532 C CB . TYR A 1 334 . 5.054 65.477 73.835 1.00 5.74 ? CB TYR A 334 1 -ATOM 2533 C CG . TYR A 1 334 . 4.521 66.852 73.512 1.00 2 ? CG TYR A 334 1 -ATOM 2534 C CD1 . TYR A 1 334 . 5.409 67.907 73.254 1.00 2 ? CD1 TYR A 334 1 -ATOM 2535 C CD2 . TYR A 1 334 . 3.137 67.079 73.460 1.00 2 ? CD2 TYR A 334 1 -ATOM 2536 C CE1 . TYR A 1 334 . 4.912 69.181 72.946 1.00 5.08 ? CE1 TYR A 334 1 -ATOM 2537 C CE2 . TYR A 1 334 . 2.633 68.349 73.155 1.00 2 ? CE2 TYR A 334 1 -ATOM 2538 C CZ . TYR A 1 334 . 3.521 69.399 72.890 1.00 4.53 ? CZ TYR A 334 1 -ATOM 2539 O OH . TYR A 1 334 . 3.049 70.651 72.554 1.00 11.53 ? OH TYR A 334 1 -ATOM 2540 N N . GLY A 1 335 . 6.595 63.194 75.819 1.00 6.87 ? N GLY A 335 1 -ATOM 2541 C CA . GLY A 1 335 . 6.176 61.960 76.480 1.00 7.35 ? CA GLY A 335 1 -ATOM 2542 C C . GLY A 1 335 . 7.252 61.095 77.070 1.00 9.23 ? C GLY A 335 1 -ATOM 2543 O O . GLY A 1 335 . 7.053 59.912 77.296 1.00 7.96 ? O GLY A 335 1 -ATOM 2544 N N . ALA A 1 336 . 8.413 61.661 77.332 1.00 10.09 ? N ALA A 336 1 -ATOM 2545 C CA . ALA A 1 336 . 9.487 60.899 77.920 1.00 11.9 ? CA ALA A 336 1 -ATOM 2546 C C . ALA A 1 336 . 9.673 61.485 79.315 1.00 15.96 ? C ALA A 336 1 -ATOM 2547 O O . ALA A 1 336 . 9.580 62.702 79.500 1.00 18.28 ? O ALA A 336 1 -ATOM 2548 C CB . ALA A 1 336 . 10.768 61.057 77.107 1.00 15.83 ? CB ALA A 336 1 -ATOM 2549 N N . PRO A 1 337 . 9.904 60.610 80.308 1.00 15.53 ? N PRO A 337 1 -ATOM 2550 C CA . PRO A 1 337 . 9.985 61.082 81.683 1.00 14.25 ? CA PRO A 337 1 -ATOM 2551 C C . PRO A 1 337 . 11.283 61.808 82.017 1.00 15.93 ? C PRO A 337 1 -ATOM 2552 O O . PRO A 1 337 . 12.366 61.243 81.891 1.00 15.63 ? O PRO A 337 1 -ATOM 2553 C CB . PRO A 1 337 . 9.910 59.789 82.500 1.00 16.93 ? CB PRO A 337 1 -ATOM 2554 C CG . PRO A 1 337 . 10.331 58.651 81.553 1.00 17.25 ? CG PRO A 337 1 -ATOM 2555 C CD . PRO A 1 337 . 9.995 59.158 80.154 1.00 17.55 ? CD PRO A 337 1 -ATOM 2556 N N . GLY A 1 338 . 11.154 63.059 82.479 1.00 14.88 ? N GLY A 338 1 -ATOM 2557 C CA . GLY A 1 338 . 12.336 63.815 82.855 1.00 14.54 ? CA GLY A 338 1 -ATOM 2558 C C . GLY A 1 338 . 12.454 65.113 82.127 1.00 17.81 ? C GLY A 338 1 -ATOM 2559 O O . GLY A 1 338 . 13.127 66.053 82.554 1.00 22.81 ? O GLY A 338 1 -ATOM 2560 N N . PHE A 1 339 . 11.757 65.184 80.999 1.00 19.32 ? N PHE A 339 1 -ATOM 2561 C CA . PHE A 1 339 . 11.838 66.393 80.199 1.00 13.96 ? CA PHE A 339 1 -ATOM 2562 C C . PHE A 1 339 . 10.696 67.272 80.539 1.00 13.96 ? C PHE A 339 1 -ATOM 2563 O O . PHE A 1 339 . 9.606 66.770 80.776 1.00 22.31 ? O PHE A 339 1 -ATOM 2564 C CB . PHE A 1 339 . 11.708 66.044 78.717 1.00 10.64 ? CB PHE A 339 1 -ATOM 2565 C CG . PHE A 1 339 . 12.837 65.169 78.270 1.00 3.88 ? CG PHE A 339 1 -ATOM 2566 C CD1 . PHE A 1 339 . 12.760 63.776 78.437 1.00 2.63 ? CD1 PHE A 339 1 -ATOM 2567 C CD2 . PHE A 1 339 . 13.967 65.743 77.680 1.00 2 ? CD2 PHE A 339 1 -ATOM 2568 C CE1 . PHE A 1 339 . 13.811 62.968 78.001 1.00 2.88 ? CE1 PHE A 339 1 -ATOM 2569 C CE2 . PHE A 1 339 . 15.001 64.936 77.218 1.00 2 ? CE2 PHE A 339 1 -ATOM 2570 C CZ . PHE A 1 339 . 14.928 63.553 77.384 1.00 2 ? CZ PHE A 339 1 -ATOM 2571 N N . SER A 1 340 . 10.907 68.570 80.551 1.00 5.93 ? N SER A 340 1 -ATOM 2572 C CA . SER A 1 340 . 9.788 69.412 80.861 1.00 8.24 ? CA SER A 340 1 -ATOM 2573 C C . SER A 1 340 . 10.176 70.702 80.211 1.00 9.54 ? C SER A 340 1 -ATOM 2574 O O . SER A 1 340 . 11.351 71.018 80.104 1.00 12.25 ? O SER A 340 1 -ATOM 2575 C CB . SER A 1 340 . 9.520 69.474 82.370 1.00 13.24 ? CB SER A 340 1 -ATOM 2576 O OG . SER A 1 340 . 10.769 69.483 83.055 1.00 20.34 ? OG SER A 340 1 -ATOM 2577 N N . LYS A 1 341 . 9.165 71.447 79.776 1.00 8.55 ? N LYS A 341 1 -ATOM 2578 C CA . LYS A 1 341 . 9.393 72.688 79.084 1.00 6.09 ? CA LYS A 341 1 -ATOM 2579 C C . LYS A 1 341 . 10.149 73.771 79.809 1.00 10.8 ? C LYS A 341 1 -ATOM 2580 O O . LYS A 1 341 . 10.918 74.490 79.193 1.00 16.03 ? O LYS A 341 1 -ATOM 2581 C CB . LYS A 1 341 . 8.028 73.295 78.730 1.00 8.3 ? CB LYS A 341 1 -ATOM 2582 C CG . LYS A 1 341 . 8.154 74.489 77.781 1.00 12.38 ? CG LYS A 341 1 -ATOM 2583 C CD . LYS A 1 341 . 6.811 75.078 77.352 1.00 17.57 ? CD LYS A 341 1 -ATOM 2584 C CE . LYS A 1 341 . 6.425 76.349 78.108 1.00 20.78 ? CE LYS A 341 1 -ATOM 2585 N NZ . LYS A 1 341 . 5.582 75.995 79.230 1.00 27.83 ? NZ LYS A 341 1 -ATOM 2586 N N . ASP A 1 342 . 9.896 73.931 81.115 1.00 11.84 ? N ASP A 342 1 -ATOM 2587 C CA . ASP A 1 342 . 10.561 75.064 81.769 1.00 10.44 ? CA ASP A 342 1 -ATOM 2588 C C . ASP A 1 342 . 11.803 74.749 82.550 1.00 11.23 ? C ASP A 342 1 -ATOM 2589 O O . ASP A 1 342 . 12.316 75.581 83.279 1.00 11.16 ? O ASP A 342 1 -ATOM 2590 C CB . ASP A 1 342 . 9.553 75.748 82.683 1.00 13.39 ? CB ASP A 342 1 -ATOM 2591 C CG . ASP A 1 342 . 8.298 76.132 81.915 1.00 18.79 ? CG ASP A 342 1 -ATOM 2592 O OD1 . ASP A 1 342 . 8.437 76.553 80.772 1.00 19.02 ? OD1 ASP A 342 1 -ATOM 2593 O OD2 . ASP A 1 342 . 7.189 76.011 82.446 1.00 26.74 ? OD2 ASP A 342 1 -ATOM 2594 N N . SER A 1 343 . 12.270 73.537 82.398 1.00 12.35 ? N SER A 343 1 -ATOM 2595 C CA . SER A 1 343 . 13.432 73.038 83.083 1.00 13.1 ? CA SER A 343 1 -ATOM 2596 C C . SER A 1 343 . 14.442 72.800 81.979 1.00 14.58 ? C SER A 343 1 -ATOM 2597 O O . SER A 1 343 . 14.082 72.847 80.821 1.00 22.87 ? O SER A 343 1 -ATOM 2598 C CB . SER A 1 343 . 12.901 71.703 83.628 1.00 9.72 ? CB SER A 343 1 -ATOM 2599 O OG . SER A 1 343 . 13.862 70.896 84.288 1.00 24.12 ? OG SER A 343 1 -ATOM 2600 N N . GLU A 1 344 . 15.701 72.514 82.304 1.00 12.45 ? N GLU A 344 1 -ATOM 2601 C CA . GLU A 1 344 . 16.664 72.234 81.208 1.00 12.6 ? CA GLU A 344 1 -ATOM 2602 C C . GLU A 1 344 . 16.839 70.723 81.029 1.00 14.76 ? C GLU A 344 1 -ATOM 2603 O O . GLU A 1 344 . 17.855 70.186 80.595 1.00 12.18 ? O GLU A 344 1 -ATOM 2604 C CB . GLU A 1 344 . 18.042 72.927 81.380 1.00 16.85 ? CB GLU A 344 1 -ATOM 2605 C CG . GLU A 1 344 . 18.786 72.592 82.679 1.00 22.04 ? CG GLU A 344 1 -ATOM 2606 N N . SER A 1 345 . 15.812 70.055 81.504 1.00 14.52 ? N SER A 345 1 -ATOM 2607 C CA . SER A 1 345 . 15.761 68.621 81.409 1.00 17.55 ? CA SER A 345 1 -ATOM 2608 C C . SER A 1 345 . 17.032 67.777 81.415 1.00 20.59 ? C SER A 345 1 -ATOM 2609 O O . SER A 1 345 . 17.349 67.167 80.404 1.00 21.82 ? O SER A 345 1 -ATOM 2610 C CB . SER A 1 345 . 14.978 68.355 80.137 1.00 16.43 ? CB SER A 345 1 -ATOM 2611 O OG . SER A 1 345 . 13.731 69.049 80.314 1.00 18.13 ? OG SER A 345 1 -ATOM 2612 N N . LYS A 1 346 . 17.716 67.723 82.579 1.00 21.86 ? N LYS A 346 1 -ATOM 2613 C CA . LYS A 1 346 . 18.910 66.879 82.705 1.00 23.77 ? CA LYS A 346 1 -ATOM 2614 C C . LYS A 1 346 . 18.369 65.497 83.043 1.00 25 ? C LYS A 346 1 -ATOM 2615 O O . LYS A 1 346 . 17.660 65.332 84.033 1.00 29.16 ? O LYS A 346 1 -ATOM 2616 C CB . LYS A 1 346 . 19.810 67.439 83.801 1.00 24.4 ? CB LYS A 346 1 -ATOM 2617 C CG . LYS A 1 346 . 20.523 68.699 83.294 1.00 33.23 ? CG LYS A 346 1 -ATOM 2618 C CD . LYS A 1 346 . 21.118 69.581 84.404 1.00 39.97 ? CD LYS A 346 1 -ATOM 2619 C CE . LYS A 1 346 . 22.034 70.688 83.836 1.00 45.95 ? CE LYS A 346 1 -ATOM 2620 N NZ . LYS A 1 346 . 21.742 71.993 84.410 1.00 51.42 ? NZ LYS A 346 1 -ATOM 2621 N N . ILE A 1 347 . 18.678 64.494 82.229 1.00 25.23 ? N ILE A 347 1 -ATOM 2622 C CA . ILE A 1 347 . 18.097 63.181 82.513 1.00 24.86 ? CA ILE A 347 1 -ATOM 2623 C C . ILE A 1 347 . 19.087 62.314 83.248 1.00 24.84 ? C ILE A 347 1 -ATOM 2624 O O . ILE A 1 347 . 20.276 62.293 82.982 1.00 25.36 ? O ILE A 347 1 -ATOM 2625 C CB . ILE A 1 347 . 17.521 62.564 81.206 1.00 20.35 ? CB ILE A 347 1 -ATOM 2626 C CG1 . ILE A 1 347 . 16.094 63.087 80.926 1.00 19.69 ? CG1 ILE A 347 1 -ATOM 2627 C CG2 . ILE A 1 347 . 17.475 61.029 81.185 1.00 18.16 ? CG2 ILE A 347 1 -ATOM 2628 C CD1 . ILE A 1 347 . 15.975 64.597 80.697 1.00 12.3 ? CD1 ILE A 347 1 -ATOM 2629 N N . SER A 1 348 . 18.517 61.576 84.190 1.00 22.6 ? N SER A 348 1 -ATOM 2630 C CA . SER A 1 348 . 19.280 60.669 85.023 1.00 22.96 ? CA SER A 348 1 -ATOM 2631 C C . SER A 1 348 . 19.473 59.374 84.291 1.00 25.12 ? C SER A 348 1 -ATOM 2632 O O . SER A 1 348 . 18.705 59.101 83.376 1.00 29.86 ? O SER A 348 1 -ATOM 2633 C CB . SER A 1 348 . 18.412 60.381 86.270 1.00 22.94 ? CB SER A 348 1 -ATOM 2634 O OG . SER A 1 348 . 17.043 60.109 85.921 1.00 21.81 ? OG SER A 348 1 -ATOM 2635 N N . ARG A 1 349 . 20.421 58.520 84.727 1.00 26.78 ? N ARG A 349 1 -ATOM 2636 C CA . ARG A 1 349 . 20.509 57.267 83.982 1.00 26.44 ? CA ARG A 349 1 -ATOM 2637 C C . ARG A 1 349 . 19.252 56.469 84.092 1.00 23.3 ? C ARG A 349 1 -ATOM 2638 O O . ARG A 1 349 . 18.958 55.655 83.241 1.00 23.92 ? O ARG A 349 1 -ATOM 2639 C CB . ARG A 1 349 . 21.692 56.337 84.303 1.00 28.34 ? CB ARG A 349 1 -ATOM 2640 C CG . ARG A 1 349 . 23.027 56.810 83.672 1.00 39.36 ? CG ARG A 349 1 -ATOM 2641 C CD . ARG A 1 349 . 23.038 57.123 82.138 1.00 42.13 ? CD ARG A 349 1 -ATOM 2642 N NE . ARG A 1 349 . 23.855 56.244 81.299 1.00 42.13 ? NE ARG A 349 1 -ATOM 2643 C CZ . ARG A 1 349 . 23.557 54.954 81.069 1.00 43.18 ? CZ ARG A 349 1 -ATOM 2644 N NH1 . ARG A 1 349 . 22.555 54.338 81.691 1.00 44.85 ? NH1 ARG A 349 1 -ATOM 2645 N NH2 . ARG A 1 349 . 24.288 54.268 80.201 1.00 43.64 ? NH2 ARG A 349 1 -ATOM 2646 N N . GLU A 1 350 . 18.488 56.699 85.144 1.00 26.9 ? N GLU A 350 1 -ATOM 2647 C CA . GLU A 1 350 . 17.263 55.911 85.222 1.00 31.45 ? CA GLU A 350 1 -ATOM 2648 C C . GLU A 1 350 . 16.301 56.334 84.127 1.00 30.75 ? C GLU A 350 1 -ATOM 2649 O O . GLU A 1 350 . 15.825 55.539 83.332 1.00 33.01 ? O GLU A 350 1 -ATOM 2650 C CB . GLU A 1 350 . 16.599 55.970 86.622 1.00 35.7 ? CB GLU A 350 1 -ATOM 2651 C CG . GLU A 1 350 . 15.595 54.810 86.857 1.00 42.44 ? CG GLU A 350 1 -ATOM 2652 N N . ASP A 1 351 . 16.039 57.637 84.077 1.00 29.4 ? N ASP A 351 1 -ATOM 2653 C CA . ASP A 1 351 . 15.114 58.079 83.044 1.00 28.05 ? CA ASP A 351 1 -ATOM 2654 C C . ASP A 1 351 . 15.675 57.927 81.642 1.00 27.22 ? C ASP A 351 1 -ATOM 2655 O O . ASP A 1 351 . 14.950 57.870 80.655 1.00 30.6 ? O ASP A 351 1 -ATOM 2656 C CB . ASP A 1 351 . 14.650 59.510 83.302 1.00 28.99 ? CB ASP A 351 1 -ATOM 2657 C CG . ASP A 1 351 . 13.711 59.620 84.492 1.00 28.45 ? CG ASP A 351 1 -ATOM 2658 O OD1 . ASP A 1 351 . 12.964 58.665 84.744 1.00 26.02 ? OD1 ASP A 351 1 -ATOM 2659 O OD2 . ASP A 1 351 . 13.732 60.665 85.149 1.00 27.93 ? OD2 ASP A 351 1 -ATOM 2660 N N . PHE A 1 352 . 17.001 57.870 81.560 1.00 24.01 ? N PHE A 352 1 -ATOM 2661 C CA . PHE A 1 352 . 17.655 57.687 80.279 1.00 19.62 ? CA PHE A 352 1 -ATOM 2662 C C . PHE A 1 352 . 17.260 56.333 79.769 1.00 19.15 ? C PHE A 352 1 -ATOM 2663 O O . PHE A 1 352 . 16.744 56.171 78.675 1.00 25.45 ? O PHE A 352 1 -ATOM 2664 C CB . PHE A 1 352 . 19.180 57.737 80.436 1.00 18.2 ? CB PHE A 352 1 -ATOM 2665 C CG . PHE A 1 352 . 19.923 57.384 79.172 1.00 18.83 ? CG PHE A 352 1 -ATOM 2666 C CD1 . PHE A 1 352 . 20.242 58.377 78.231 1.00 21.32 ? CD1 PHE A 352 1 -ATOM 2667 C CD2 . PHE A 1 352 . 20.326 56.058 78.941 1.00 15.96 ? CD2 PHE A 352 1 -ATOM 2668 C CE1 . PHE A 1 352 . 20.986 58.048 77.086 1.00 21.96 ? CE1 PHE A 352 1 -ATOM 2669 C CE2 . PHE A 1 352 . 21.057 55.728 77.794 1.00 14.3 ? CE2 PHE A 352 1 -ATOM 2670 C CZ . PHE A 1 352 . 21.399 56.724 76.869 1.00 18.25 ? CZ PHE A 352 1 -ATOM 2671 N N . MET A 1 353 . 17.487 55.335 80.612 1.00 17.09 ? N MET A 353 1 -ATOM 2672 C CA . MET A 1 353 . 17.134 53.996 80.193 1.00 18.52 ? CA MET A 353 1 -ATOM 2673 C C . MET A 1 353 . 15.644 53.840 79.978 1.00 20.49 ? C MET A 353 1 -ATOM 2674 O O . MET A 1 353 . 15.198 53.013 79.189 1.00 19.81 ? O MET A 353 1 -ATOM 2675 C CB . MET A 1 353 . 17.754 52.953 81.110 1.00 19.65 ? CB MET A 353 1 -ATOM 2676 C CG . MET A 1 353 . 19.295 53.119 81.050 1.00 18.12 ? CG MET A 353 1 -ATOM 2677 N N . SER A 1 354 . 14.859 54.645 80.703 1.00 22.71 ? N SER A 354 1 -ATOM 2678 C CA . SER A 1 354 . 13.424 54.538 80.475 1.00 25.84 ? CA SER A 354 1 -ATOM 2679 C C . SER A 1 354 . 13.094 55.109 79.090 1.00 25.87 ? C SER A 354 1 -ATOM 2680 O O . SER A 1 354 . 12.221 54.666 78.352 1.00 28.42 ? O SER A 354 1 -ATOM 2681 C CB . SER A 1 354 . 12.633 55.339 81.526 1.00 27.61 ? CB SER A 354 1 -ATOM 2682 O OG . SER A 1 354 . 13.050 55.077 82.868 1.00 35.58 ? OG SER A 354 1 -ATOM 2683 N N . GLY A 1 355 . 13.847 56.145 78.754 1.00 23.04 ? N GLY A 355 1 -ATOM 2684 C CA . GLY A 1 355 . 13.632 56.789 77.491 1.00 20.76 ? CA GLY A 355 1 -ATOM 2685 C C . GLY A 1 355 . 13.913 55.887 76.330 1.00 20.74 ? C GLY A 355 1 -ATOM 2686 O O . GLY A 1 355 . 13.065 55.716 75.465 1.00 20.96 ? O GLY A 355 1 -ATOM 2687 N N . VAL A 1 356 . 15.118 55.281 76.330 1.00 16.58 ? N VAL A 356 1 -ATOM 2688 C CA . VAL A 1 356 . 15.436 54.406 75.221 1.00 12.8 ? CA VAL A 356 1 -ATOM 2689 C C . VAL A 1 356 . 14.445 53.285 75.072 1.00 12.89 ? C VAL A 356 1 -ATOM 2690 O O . VAL A 1 356 . 14.189 52.860 73.962 1.00 20.26 ? O VAL A 356 1 -ATOM 2691 C CB . VAL A 1 356 . 16.919 53.999 75.178 1.00 15.13 ? CB VAL A 356 1 -ATOM 2692 C CG1 . VAL A 1 356 . 17.576 53.882 76.541 1.00 11.98 ? CG1 VAL A 356 1 -ATOM 2693 C CG2 . VAL A 1 356 . 17.220 52.742 74.320 1.00 16.47 ? CG2 VAL A 356 1 -ATOM 2694 N N . LYS A 1 357 . 13.868 52.798 76.158 1.00 17.12 ? N LYS A 357 1 -ATOM 2695 C CA . LYS A 1 357 . 12.876 51.743 75.975 1.00 18.3 ? CA LYS A 357 1 -ATOM 2696 C C . LYS A 1 357 . 11.719 52.291 75.167 1.00 16.64 ? C LYS A 357 1 -ATOM 2697 O O . LYS A 1 357 . 11.169 51.615 74.316 1.00 20.77 ? O LYS A 357 1 -ATOM 2698 C CB . LYS A 1 357 . 12.315 51.214 77.311 1.00 23.65 ? CB LYS A 357 1 -ATOM 2699 C CG . LYS A 1 357 . 13.340 50.427 78.147 1.00 34.69 ? CG LYS A 357 1 -ATOM 2700 C CD . LYS A 1 357 . 12.893 49.065 78.757 1.00 48.38 ? CD LYS A 357 1 -ATOM 2701 C CE . LYS A 1 357 . 11.495 48.500 78.390 1.00 53.77 ? CE LYS A 357 1 -ATOM 2702 N NZ . LYS A 1 357 . 11.366 48.161 76.970 1.00 58.39 ? NZ LYS A 357 1 -ATOM 2703 N N . LEU A 1 358 . 11.354 53.539 75.448 1.00 16.56 ? N LEU A 358 1 -ATOM 2704 C CA . LEU A 1 358 . 10.239 54.119 74.705 1.00 16.67 ? CA LEU A 358 1 -ATOM 2705 C C . LEU A 1 358 . 10.595 54.389 73.255 1.00 19.85 ? C LEU A 358 1 -ATOM 2706 O O . LEU A 1 358 . 9.729 54.354 72.389 1.00 26.58 ? O LEU A 358 1 -ATOM 2707 C CB . LEU A 1 358 . 9.796 55.471 75.298 1.00 7.56 ? CB LEU A 358 1 -ATOM 2708 C CG . LEU A 1 358 . 9.274 55.385 76.723 1.00 2 ? CG LEU A 358 1 -ATOM 2709 C CD1 . LEU A 1 358 . 9.116 56.780 77.314 1.00 2 ? CD1 LEU A 358 1 -ATOM 2710 C CD2 . LEU A 1 358 . 7.937 54.652 76.758 1.00 2 ? CD2 LEU A 358 1 -ATOM 2711 N N . SER A 1 359 . 11.862 54.715 73.003 1.00 17.69 ? N SER A 359 1 -ATOM 2712 C CA . SER A 1 359 . 12.256 54.998 71.638 1.00 15.36 ? CA SER A 359 1 -ATOM 2713 C C . SER A 1 359 . 12.405 53.770 70.792 1.00 16.54 ? C SER A 359 1 -ATOM 2714 O O . SER A 1 359 . 12.192 53.833 69.594 1.00 22.9 ? O SER A 359 1 -ATOM 2715 C CB . SER A 1 359 . 13.594 55.739 71.579 1.00 13.6 ? CB SER A 359 1 -ATOM 2716 O OG . SER A 1 359 . 13.573 56.801 72.535 1.00 20.22 ? OG SER A 359 1 -ATOM 2717 N N . VAL A 1 360 . 12.759 52.645 71.391 1.00 11.65 ? N VAL A 360 1 -ATOM 2718 C CA . VAL A 1 360 . 12.944 51.481 70.561 1.00 9.46 ? CA VAL A 360 1 -ATOM 2719 C C . VAL A 1 360 . 11.964 50.393 70.960 1.00 12.11 ? C VAL A 360 1 -ATOM 2720 O O . VAL A 1 360 . 12.368 49.333 71.408 1.00 16.36 ? O VAL A 360 1 -ATOM 2721 C CB . VAL A 1 360 . 14.434 51.063 70.661 1.00 9.14 ? CB VAL A 360 1 -ATOM 2722 C CG1 . VAL A 1 360 . 14.841 50.178 69.466 1.00 10.89 ? CG1 VAL A 360 1 -ATOM 2723 C CG2 . VAL A 1 360 . 15.367 52.292 70.691 1.00 10.29 ? CG2 VAL A 360 1 -ATOM 2724 N N . PRO A 1 361 . 10.655 50.620 70.779 1.00 15.18 ? N PRO A 361 1 -ATOM 2725 C CA . PRO A 1 361 . 9.654 49.694 71.335 1.00 15.98 ? CA PRO A 361 1 -ATOM 2726 C C . PRO A 1 361 . 9.757 48.242 70.921 1.00 19.48 ? C PRO A 361 1 -ATOM 2727 O O . PRO A 1 361 . 9.177 47.348 71.504 1.00 23.85 ? O PRO A 361 1 -ATOM 2728 C CB . PRO A 1 361 . 8.306 50.273 70.880 1.00 11.55 ? CB PRO A 361 1 -ATOM 2729 C CG . PRO A 1 361 . 8.642 51.317 69.810 1.00 12.75 ? CG PRO A 361 1 -ATOM 2730 C CD . PRO A 1 361 . 10.084 51.755 70.062 1.00 14.4 ? CD PRO A 361 1 -ATOM 2731 N N . HIS A 1 362 . 10.477 48.020 69.845 1.00 25.44 ? N HIS A 362 1 -ATOM 2732 C CA . HIS A 1 362 . 10.623 46.670 69.321 1.00 29.48 ? CA HIS A 362 1 -ATOM 2733 C C . HIS A 1 362 . 11.939 46.025 69.693 1.00 30.3 ? C HIS A 362 1 -ATOM 2734 O O . HIS A 1 362 . 12.196 44.881 69.334 1.00 34.95 ? O HIS A 362 1 -ATOM 2735 C CB . HIS A 1 362 . 10.507 46.696 67.769 1.00 35.06 ? CB HIS A 362 1 -ATOM 2736 C CG . HIS A 1 362 . 11.270 47.870 67.165 1.00 36.68 ? CG HIS A 362 1 -ATOM 2737 N ND1 . HIS A 1 362 . 10.727 49.092 66.938 1.00 35.63 ? ND1 HIS A 362 1 -ATOM 2738 C CD2 . HIS A 1 362 . 12.633 47.919 66.802 1.00 35.92 ? CD2 HIS A 362 1 -ATOM 2739 C CE1 . HIS A 1 362 . 11.710 49.868 66.466 1.00 36.94 ? CE1 HIS A 362 1 -ATOM 2740 N NE2 . HIS A 1 362 . 12.865 49.175 66.382 1.00 39.26 ? NE2 HIS A 362 1 -ATOM 2741 N N . ALA A 1 363 . 12.812 46.774 70.361 1.00 25.05 ? N ALA A 363 1 -ATOM 2742 C CA . ALA A 1 363 . 14.062 46.133 70.675 1.00 24.3 ? CA ALA A 363 1 -ATOM 2743 C C . ALA A 1 363 . 13.848 45.186 71.823 1.00 26.94 ? C ALA A 363 1 -ATOM 2744 O O . ALA A 1 363 . 12.951 45.319 72.646 1.00 27.66 ? O ALA A 363 1 -ATOM 2745 C CB . ALA A 1 363 . 15.134 47.133 71.121 1.00 24.12 ? CB ALA A 363 1 -ATOM 2746 N N . ASN A 1 364 . 14.749 44.213 71.849 1.00 25.62 ? N ASN A 364 1 -ATOM 2747 C CA . ASN A 1 364 . 14.758 43.232 72.908 1.00 22.62 ? CA ASN A 364 1 -ATOM 2748 C C . ASN A 1 364 . 15.867 43.752 73.798 1.00 24.4 ? C ASN A 364 1 -ATOM 2749 O O . ASN A 1 364 . 16.571 44.705 73.484 1.00 24.24 ? O ASN A 364 1 -ATOM 2750 C CB . ASN A 1 364 . 15.012 41.792 72.399 1.00 23.27 ? CB ASN A 364 1 -ATOM 2751 C CG . ASN A 1 364 . 16.304 41.675 71.630 1.00 23.08 ? CG ASN A 364 1 -ATOM 2752 O OD1 . ASN A 1 364 . 17.141 42.556 71.718 1.00 28.93 ? OD1 ASN A 364 1 -ATOM 2753 N ND2 . ASN A 1 364 . 16.476 40.606 70.870 1.00 23.88 ? ND2 ASN A 364 1 -ATOM 2754 N N . ASP A 1 365 . 16.056 43.061 74.917 1.00 27.48 ? N ASP A 365 1 -ATOM 2755 C CA . ASP A 1 365 . 17.081 43.472 75.882 1.00 25.27 ? CA ASP A 365 1 -ATOM 2756 C C . ASP A 1 365 . 18.430 43.730 75.275 1.00 25.82 ? C ASP A 365 1 -ATOM 2757 O O . ASP A 1 365 . 19.141 44.680 75.568 1.00 28.02 ? O ASP A 365 1 -ATOM 2758 C CB . ASP A 1 365 . 17.372 42.372 76.914 1.00 26.63 ? CB ASP A 365 1 -ATOM 2759 N N . LEU A 1 366 . 18.782 42.827 74.380 1.00 23.27 ? N LEU A 366 1 -ATOM 2760 C CA . LEU A 1 366 . 20.075 42.962 73.762 1.00 21.37 ? CA LEU A 366 1 -ATOM 2761 C C . LEU A 1 366 . 20.147 44.191 72.883 1.00 21.66 ? C LEU A 366 1 -ATOM 2762 O O . LEU A 1 366 . 21.144 44.898 72.806 1.00 22.93 ? O LEU A 366 1 -ATOM 2763 C CB . LEU A 1 366 . 20.344 41.690 72.966 1.00 22.53 ? CB LEU A 366 1 -ATOM 2764 C CG . LEU A 1 366 . 21.729 41.107 73.176 1.00 21.41 ? CG LEU A 366 1 -ATOM 2765 C CD1 . LEU A 1 366 . 21.853 39.905 72.247 1.00 26.47 ? CD1 LEU A 366 1 -ATOM 2766 C CD2 . LEU A 1 366 . 22.850 42.138 72.963 1.00 22.36 ? CD2 LEU A 366 1 -ATOM 2767 N N . GLY A 1 367 . 19.025 44.444 72.229 1.00 18.78 ? N GLY A 367 1 -ATOM 2768 C CA . GLY A 1 367 . 18.936 45.581 71.345 1.00 20.09 ? CA GLY A 367 1 -ATOM 2769 C C . GLY A 1 367 . 19.094 46.861 72.104 1.00 19.16 ? C GLY A 367 1 -ATOM 2770 O O . GLY A 1 367 . 19.884 47.713 71.725 1.00 17.49 ? O GLY A 367 1 -ATOM 2771 N N . LEU A 1 368 . 18.342 46.960 73.218 1.00 19.69 ? N LEU A 368 1 -ATOM 2772 C CA . LEU A 1 368 . 18.410 48.152 74.058 1.00 18.37 ? CA LEU A 368 1 -ATOM 2773 C C . LEU A 1 368 . 19.844 48.330 74.525 1.00 18.27 ? C LEU A 368 1 -ATOM 2774 O O . LEU A 1 368 . 20.426 49.409 74.485 1.00 15.58 ? O LEU A 368 1 -ATOM 2775 C CB . LEU A 1 368 . 17.438 48.068 75.248 1.00 21.93 ? CB LEU A 368 1 -ATOM 2776 C CG . LEU A 1 368 . 15.933 48.026 74.877 1.00 25.14 ? CG LEU A 368 1 -ATOM 2777 C CD1 . LEU A 1 368 . 15.070 47.567 76.053 1.00 22.66 ? CD1 LEU A 368 1 -ATOM 2778 C CD2 . LEU A 1 368 . 15.401 49.388 74.386 1.00 26.92 ? CD2 LEU A 368 1 -ATOM 2779 N N . ASP A 1 369 . 20.428 47.189 74.923 1.00 18.38 ? N ASP A 369 1 -ATOM 2780 C CA . ASP A 1 369 . 21.827 47.226 75.362 1.00 19.79 ? CA ASP A 369 1 -ATOM 2781 C C . ASP A 1 369 . 22.745 47.793 74.289 1.00 19.98 ? C ASP A 369 1 -ATOM 2782 O O . ASP A 1 369 . 23.653 48.575 74.568 1.00 20.06 ? O ASP A 369 1 -ATOM 2783 C CB . ASP A 1 369 . 22.362 45.826 75.703 1.00 20.42 ? CB ASP A 369 1 -ATOM 2784 C CG . ASP A 1 369 . 22.133 45.388 77.141 1.00 25.81 ? CG ASP A 369 1 -ATOM 2785 O OD1 . ASP A 1 369 . 21.345 46.014 77.858 1.00 28.18 ? OD1 ASP A 369 1 -ATOM 2786 O OD2 . ASP A 1 369 . 22.771 44.415 77.545 1.00 28.77 ? OD2 ASP A 369 1 -ATOM 2787 N N . ALA A 1 370 . 22.475 47.355 73.042 1.00 19.57 ? N ALA A 370 1 -ATOM 2788 C CA . ALA A 1 370 . 23.252 47.794 71.903 1.00 12.88 ? CA ALA A 370 1 -ATOM 2789 C C . ALA A 1 370 . 23.109 49.283 71.682 1.00 13.98 ? C ALA A 370 1 -ATOM 2790 O O . ALA A 1 370 . 24.088 49.947 71.360 1.00 17.14 ? O ALA A 370 1 -ATOM 2791 C CB . ALA A 1 370 . 22.849 47.031 70.655 1.00 10.17 ? CB ALA A 370 1 -ATOM 2792 N N . VAL A 1 371 . 21.890 49.808 71.859 1.00 13.39 ? N VAL A 371 1 -ATOM 2793 C CA . VAL A 1 371 . 21.688 51.248 71.663 1.00 13.99 ? CA VAL A 371 1 -ATOM 2794 C C . VAL A 1 371 . 22.480 52.053 72.704 1.00 14.95 ? C VAL A 371 1 -ATOM 2795 O O . VAL A 1 371 . 23.202 52.998 72.393 1.00 18.4 ? O VAL A 371 1 -ATOM 2796 C CB . VAL A 1 371 . 20.179 51.599 71.742 1.00 13.56 ? CB VAL A 371 1 -ATOM 2797 C CG1 . VAL A 1 371 . 19.924 53.103 71.535 1.00 9.32 ? CG1 VAL A 371 1 -ATOM 2798 C CG2 . VAL A 1 371 . 19.330 50.764 70.762 1.00 6.6 ? CG2 VAL A 371 1 -ATOM 2799 N N . THR A 1 372 . 22.316 51.663 73.967 1.00 14.34 ? N THR A 372 1 -ATOM 2800 C CA . THR A 1 372 . 23.003 52.331 75.058 1.00 13.68 ? CA THR A 372 1 -ATOM 2801 C C . THR A 1 372 . 24.507 52.355 74.841 1.00 12.35 ? C THR A 372 1 -ATOM 2802 O O . THR A 1 372 . 25.194 53.339 75.056 1.00 9.76 ? O THR A 372 1 -ATOM 2803 C CB . THR A 1 372 . 22.682 51.541 76.319 1.00 18.11 ? CB THR A 372 1 -ATOM 2804 O OG1 . THR A 1 372 . 21.272 51.359 76.415 1.00 21.72 ? OG1 THR A 372 1 -ATOM 2805 C CG2 . THR A 1 372 . 23.187 52.181 77.614 1.00 26.75 ? CG2 THR A 372 1 -ATOM 2806 N N . LEU A 1 373 . 25.014 51.219 74.372 1.00 12.03 ? N LEU A 373 1 -ATOM 2807 C CA . LEU A 1 373 . 26.438 51.164 74.118 1.00 12.19 ? CA LEU A 373 1 -ATOM 2808 C C . LEU A 1 373 . 26.899 52.318 73.242 1.00 15.5 ? C LEU A 373 1 -ATOM 2809 O O . LEU A 1 373 . 27.837 53.027 73.567 1.00 15.29 ? O LEU A 373 1 -ATOM 2810 C CB . LEU A 1 373 . 26.804 49.835 73.429 1.00 9.08 ? CB LEU A 373 1 -ATOM 2811 C CG . LEU A 1 373 . 28.225 49.330 73.745 1.00 11.38 ? CG LEU A 373 1 -ATOM 2812 C CD1 . LEU A 1 373 . 28.554 48.051 72.978 1.00 14.39 ? CD1 LEU A 373 1 -ATOM 2813 C CD2 . LEU A 1 373 . 29.337 50.350 73.488 1.00 17.82 ? CD2 LEU A 373 1 -ATOM 2814 N N . GLN A 1 374 . 26.163 52.495 72.132 1.00 20.44 ? N GLN A 374 1 -ATOM 2815 C CA . GLN A 1 374 . 26.528 53.529 71.166 1.00 21.57 ? CA GLN A 374 1 -ATOM 2816 C C . GLN A 1 374 . 26.289 54.941 71.597 1.00 22.18 ? C GLN A 374 1 -ATOM 2817 O O . GLN A 1 374 . 27.070 55.833 71.300 1.00 23 ? O GLN A 374 1 -ATOM 2818 C CB . GLN A 1 374 . 25.739 53.401 69.848 1.00 24.24 ? CB GLN A 374 1 -ATOM 2819 C CG . GLN A 1 374 . 25.628 51.987 69.285 1.00 33.24 ? CG GLN A 374 1 -ATOM 2820 C CD . GLN A 1 374 . 26.957 51.458 68.790 1.00 39.05 ? CD GLN A 374 1 -ATOM 2821 O OE1 . GLN A 1 374 . 27.753 52.173 68.192 1.00 42.09 ? OE1 GLN A 374 1 -ATOM 2822 N NE2 . GLN A 1 374 . 27.159 50.156 69.011 1.00 39.02 ? NE2 GLN A 374 1 -ATOM 2823 N N . TYR A 1 375 . 25.159 55.138 72.272 1.00 20.75 ? N TYR A 375 1 -ATOM 2824 C CA . TYR A 1 375 . 24.832 56.505 72.658 1.00 22.88 ? CA TYR A 375 1 -ATOM 2825 C C . TYR A 1 375 . 25.365 56.972 74.005 1.00 25.42 ? C TYR A 375 1 -ATOM 2826 O O . TYR A 1 375 . 25.221 58.143 74.345 1.00 26.36 ? O TYR A 375 1 -ATOM 2827 C CB . TYR A 1 375 . 23.308 56.706 72.501 1.00 22.55 ? CB TYR A 375 1 -ATOM 2828 C CG . TYR A 1 375 . 22.939 56.796 71.029 1.00 24.01 ? CG TYR A 375 1 -ATOM 2829 C CD1 . TYR A 1 375 . 22.995 58.053 70.382 1.00 21.13 ? CD1 TYR A 375 1 -ATOM 2830 C CD2 . TYR A 1 375 . 22.608 55.639 70.277 1.00 20.1 ? CD2 TYR A 375 1 -ATOM 2831 C CE1 . TYR A 1 375 . 22.734 58.162 69.013 1.00 16.38 ? CE1 TYR A 375 1 -ATOM 2832 C CE2 . TYR A 1 375 . 22.344 55.752 68.898 1.00 13.81 ? CE2 TYR A 375 1 -ATOM 2833 C CZ . TYR A 1 375 . 22.400 57.021 68.275 1.00 17.25 ? CZ TYR A 375 1 -ATOM 2834 O OH . TYR A 1 375 . 22.110 57.194 66.939 1.00 18.33 ? OH TYR A 375 1 -ATOM 2835 N N . THR A 1 376 . 25.972 56.094 74.795 1.00 27.14 ? N THR A 376 1 -ATOM 2836 C CA . THR A 1 376 . 26.466 56.558 76.079 1.00 26.81 ? CA THR A 376 1 -ATOM 2837 C C . THR A 1 376 . 27.950 56.896 76.026 1.00 30 ? C THR A 376 1 -ATOM 2838 O O . THR A 1 376 . 28.788 56.256 75.401 1.00 32.19 ? O THR A 376 1 -ATOM 2839 C CB . THR A 1 376 . 26.248 55.429 77.102 1.00 24.27 ? CB THR A 376 1 -ATOM 2840 O OG1 . THR A 1 376 . 24.848 55.183 77.221 1.00 26.14 ? OG1 THR A 376 1 -ATOM 2841 C CG2 . THR A 1 376 . 26.772 55.689 78.525 1.00 26.13 ? CG2 THR A 376 1 -ATOM 2842 N N . ASP A 1 377 . 28.267 57.974 76.756 1.00 32.9 ? N ASP A 377 1 -ATOM 2843 C CA . ASP A 1 377 . 29.663 58.373 76.884 1.00 33.12 ? CA ASP A 377 1 -ATOM 2844 C C . ASP A 1 377 . 30.088 57.620 78.138 1.00 33.75 ? C ASP A 377 1 -ATOM 2845 O O . ASP A 1 377 . 29.853 58.093 79.246 1.00 35.52 ? O ASP A 377 1 -ATOM 2846 C CB . ASP A 1 377 . 29.821 59.888 77.099 1.00 29.45 ? CB ASP A 377 1 -ATOM 2847 C CG . ASP A 1 377 . 31.259 60.278 77.411 1.00 32.39 ? CG ASP A 377 1 -ATOM 2848 O OD1 . ASP A 1 377 . 32.052 59.407 77.779 1.00 31.09 ? OD1 ASP A 377 1 -ATOM 2849 O OD2 . ASP A 1 377 . 31.587 61.456 77.284 1.00 36.13 ? OD2 ASP A 377 1 -ATOM 2850 N N . TRP A 1 378 . 30.724 56.467 77.964 1.00 33.67 ? N TRP A 378 1 -ATOM 2851 C CA . TRP A 1 378 . 31.115 55.677 79.118 1.00 32.74 ? CA TRP A 378 1 -ATOM 2852 C C . TRP A 1 378 . 32.033 56.368 80.072 1.00 35.4 ? C TRP A 378 1 -ATOM 2853 O O . TRP A 1 378 . 32.005 56.047 81.250 1.00 38.33 ? O TRP A 378 1 -ATOM 2854 C CB . TRP A 1 378 . 31.630 54.292 78.729 1.00 34.03 ? CB TRP A 378 1 -ATOM 2855 C CG . TRP A 1 378 . 30.471 53.588 78.076 1.00 34.63 ? CG TRP A 378 1 -ATOM 2856 C CD1 . TRP A 1 378 . 30.183 53.518 76.694 1.00 35.42 ? CD1 TRP A 378 1 -ATOM 2857 C CD2 . TRP A 1 378 . 29.417 52.973 78.756 1.00 33.28 ? CD2 TRP A 378 1 -ATOM 2858 N NE1 . TRP A 1 378 . 29.000 52.899 76.494 1.00 35.74 ? NE1 TRP A 378 1 -ATOM 2859 C CE2 . TRP A 1 378 . 28.471 52.533 77.709 1.00 34.52 ? CE2 TRP A 378 1 -ATOM 2860 C CE3 . TRP A 1 378 . 29.112 52.790 80.102 1.00 32.54 ? CE3 TRP A 378 1 -ATOM 2861 C CZ2 . TRP A 1 378 . 27.263 51.928 78.090 1.00 33.96 ? CZ2 TRP A 378 1 -ATOM 2862 C CZ3 . TRP A 1 378 . 27.891 52.181 80.439 1.00 37.5 ? CZ3 TRP A 378 1 -ATOM 2863 C CH2 . TRP A 1 378 . 26.978 51.757 79.451 1.00 33.89 ? CH2 TRP A 378 1 -ATOM 2864 N N . MET A 1 379 . 32.825 57.343 79.609 1.00 35.43 ? N MET A 379 1 -ATOM 2865 C CA . MET A 1 379 . 33.697 58.015 80.583 1.00 38.11 ? CA MET A 379 1 -ATOM 2866 C C . MET A 1 379 . 33.006 59.171 81.323 1.00 37.63 ? C MET A 379 1 -ATOM 2867 O O . MET A 1 379 . 33.621 60.030 81.937 1.00 37.01 ? O MET A 379 1 -ATOM 2868 C CB . MET A 1 379 . 34.997 58.503 79.946 1.00 39.47 ? CB MET A 379 1 -ATOM 2869 C CG . MET A 1 379 . 36.089 58.677 81.013 1.00 48.58 ? CG MET A 379 1 -ATOM 2870 S SD . MET A 1 379 . 37.630 59.176 80.217 1.00 60.48 ? SD MET A 379 1 -ATOM 2871 C CE . MET A 1 379 . 38.186 57.574 79.529 1.00 60.32 ? CE MET A 379 1 -ATOM 2872 N N . ASP A 1 380 . 31.684 59.210 81.242 1.00 37.26 ? N ASP A 380 1 -ATOM 2873 C CA . ASP A 1 380 . 30.950 60.276 81.901 1.00 35.2 ? CA ASP A 380 1 -ATOM 2874 C C . ASP A 1 380 . 29.496 59.852 82.031 1.00 36.78 ? C ASP A 380 1 -ATOM 2875 O O . ASP A 1 380 . 28.558 60.633 82.001 1.00 36.31 ? O ASP A 380 1 -ATOM 2876 C CB . ASP A 1 380 . 31.085 61.573 81.080 1.00 37.41 ? CB ASP A 380 1 -ATOM 2877 C CG . ASP A 1 380 . 30.946 62.833 81.916 1.00 42.24 ? CG ASP A 380 1 -ATOM 2878 O OD1 . ASP A 1 380 . 30.115 62.841 82.818 1.00 44.95 ? OD1 ASP A 380 1 -ATOM 2879 O OD2 . ASP A 1 380 . 31.680 63.796 81.681 1.00 46.59 ? OD2 ASP A 380 1 -ATOM 2880 N N . ASP A 1 381 . 29.362 58.537 82.159 1.00 39.63 ? N ASP A 381 1 -ATOM 2881 C CA . ASP A 1 381 . 28.137 57.774 82.303 1.00 41.26 ? CA ASP A 381 1 -ATOM 2882 C C . ASP A 1 381 . 26.898 58.498 82.853 1.00 40.3 ? C ASP A 381 1 -ATOM 2883 O O . ASP A 1 381 . 25.862 58.482 82.204 1.00 41.14 ? O ASP A 381 1 -ATOM 2884 C CB . ASP A 1 381 . 28.520 56.477 83.058 1.00 44.63 ? CB ASP A 381 1 -ATOM 2885 C CG . ASP A 1 381 . 27.429 55.697 83.761 1.00 53.35 ? CG ASP A 381 1 -ATOM 2886 O OD1 . ASP A 1 381 . 26.283 55.738 83.316 1.00 56.74 ? OD1 ASP A 381 1 -ATOM 2887 O OD2 . ASP A 1 381 . 27.743 55.043 84.760 1.00 59.44 ? OD2 ASP A 381 1 -ATOM 2888 N N . ASN A 1 382 . 27.006 59.118 84.031 1.00 42.03 ? N ASN A 382 1 -ATOM 2889 C CA . ASN A 1 382 . 25.865 59.779 84.670 1.00 41.65 ? CA ASN A 382 1 -ATOM 2890 C C . ASN A 1 382 . 25.642 61.248 84.350 1.00 42 ? C ASN A 382 1 -ATOM 2891 O O . ASN A 1 382 . 24.947 61.916 85.107 1.00 45.11 ? O ASN A 382 1 -ATOM 2892 C CB . ASN A 1 382 . 26.124 59.744 86.202 1.00 39.34 ? CB ASN A 382 1 -ATOM 2893 N N . ASN A 1 383 . 26.225 61.785 83.267 1.00 41.46 ? N ASN A 383 1 -ATOM 2894 C CA . ASN A 1 383 . 26.010 63.225 83.006 1.00 35.71 ? CA ASN A 383 1 -ATOM 2895 C C . ASN A 1 383 . 24.620 63.545 82.472 1.00 33.59 ? C ASN A 383 1 -ATOM 2896 O O . ASN A 1 383 . 24.279 63.254 81.336 1.00 38.41 ? O ASN A 383 1 -ATOM 2897 C CB . ASN A 1 383 . 27.083 63.795 82.076 1.00 31.38 ? CB ASN A 383 1 -ATOM 2898 C CG . ASN A 1 383 . 26.928 65.278 81.831 1.00 32.86 ? CG ASN A 383 1 -ATOM 2899 O OD1 . ASN A 1 383 . 25.842 65.826 81.848 1.00 35.62 ? OD1 ASN A 383 1 -ATOM 2900 N ND2 . ASN A 1 383 . 28.040 65.962 81.597 1.00 33.67 ? ND2 ASN A 383 1 -ATOM 2901 N N . GLY A 1 384 . 23.850 64.252 83.289 1.00 30.8 ? N GLY A 384 1 -ATOM 2902 C CA . GLY A 1 384 . 22.496 64.597 82.893 1.00 27.25 ? CA GLY A 384 1 -ATOM 2903 C C . GLY A 1 384 . 22.328 65.341 81.593 1.00 22.82 ? C GLY A 384 1 -ATOM 2904 O O . GLY A 1 384 . 21.356 65.150 80.884 1.00 24.91 ? O GLY A 384 1 -ATOM 2905 N N . ILE A 1 385 . 23.257 66.223 81.275 1.00 19.5 ? N ILE A 385 1 -ATOM 2906 C CA . ILE A 1 385 . 23.151 66.941 80.018 1.00 21.44 ? CA ILE A 385 1 -ATOM 2907 C C . ILE A 1 385 . 23.415 65.938 78.883 1.00 21.19 ? C ILE A 385 1 -ATOM 2908 O O . ILE A 1 385 . 22.682 65.776 77.911 1.00 22.17 ? O ILE A 385 1 -ATOM 2909 C CB . ILE A 1 385 . 24.161 68.106 80.037 1.00 22.64 ? CB ILE A 385 1 -ATOM 2910 C CG1 . ILE A 1 385 . 23.678 69.272 80.907 1.00 25.55 ? CG1 ILE A 385 1 -ATOM 2911 C CG2 . ILE A 1 385 . 24.550 68.612 78.650 1.00 26.15 ? CG2 ILE A 385 1 -ATOM 2912 C CD1 . ILE A 1 385 . 22.582 70.084 80.198 1.00 31.32 ? CD1 ILE A 385 1 -ATOM 2913 N N . LYS A 1 386 . 24.507 65.208 79.051 1.00 19.41 ? N LYS A 386 1 -ATOM 2914 C CA . LYS A 1 386 . 24.846 64.229 78.030 1.00 16.41 ? CA LYS A 386 1 -ATOM 2915 C C . LYS A 1 386 . 23.746 63.214 77.802 1.00 15.5 ? C LYS A 386 1 -ATOM 2916 O O . LYS A 1 386 . 23.520 62.748 76.696 1.00 19.02 ? O LYS A 386 1 -ATOM 2917 C CB . LYS A 1 386 . 26.163 63.511 78.355 1.00 15.67 ? CB LYS A 386 1 -ATOM 2918 C CG . LYS A 1 386 . 27.363 64.470 78.269 1.00 13.97 ? CG LYS A 386 1 -ATOM 2919 C CD . LYS A 1 386 . 28.705 63.748 78.404 1.00 22.76 ? CD LYS A 386 1 -ATOM 2920 C CE . LYS A 1 386 . 29.899 64.709 78.258 1.00 29.85 ? CE LYS A 386 1 -ATOM 2921 N NZ . LYS A 1 386 . 31.167 63.988 78.174 1.00 32.24 ? NZ LYS A 386 1 -ATOM 2922 N N . ASN A 1 387 . 23.045 62.872 78.863 1.00 14.39 ? N ASN A 387 1 -ATOM 2923 C CA . ASN A 1 387 . 21.969 61.905 78.713 1.00 15.86 ? CA ASN A 387 1 -ATOM 2924 C C . ASN A 1 387 . 20.782 62.521 78.022 1.00 15.13 ? C ASN A 387 1 -ATOM 2925 O O . ASN A 1 387 . 20.085 61.866 77.261 1.00 17.02 ? O ASN A 387 1 -ATOM 2926 C CB . ASN A 1 387 . 21.521 61.340 80.070 1.00 21.64 ? CB ASN A 387 1 -ATOM 2927 C CG . ASN A 1 387 . 22.530 60.443 80.766 1.00 28.33 ? CG ASN A 387 1 -ATOM 2928 O OD1 . ASN A 1 387 . 22.410 60.183 81.952 1.00 35.96 ? OD1 ASN A 387 1 -ATOM 2929 N ND2 . ASN A 1 387 . 23.541 59.943 80.033 1.00 29.77 ? ND2 ASN A 387 1 -ATOM 2930 N N . ARG A 1 388 . 20.558 63.808 78.281 1.00 11.15 ? N ARG A 388 1 -ATOM 2931 C CA . ARG A 1 388 . 19.430 64.467 77.645 1.00 11.5 ? CA ARG A 388 1 -ATOM 2932 C C . ARG A 1 388 . 19.648 64.479 76.139 1.00 13.43 ? C ARG A 388 1 -ATOM 2933 O O . ARG A 1 388 . 18.815 64.110 75.308 1.00 10.98 ? O ARG A 388 1 -ATOM 2934 C CB . ARG A 1 388 . 19.340 65.916 78.167 1.00 9.27 ? CB ARG A 388 1 -ATOM 2935 C CG . ARG A 1 388 . 18.216 66.780 77.556 1.00 7.23 ? CG ARG A 388 1 -ATOM 2936 C CD . ARG A 1 388 . 18.418 68.277 77.829 1.00 10.14 ? CD ARG A 388 1 -ATOM 2937 N NE . ARG A 1 388 . 19.677 68.697 77.262 1.00 9.96 ? NE ARG A 388 1 -ATOM 2938 C CZ . ARG A 1 388 . 20.276 69.841 77.586 1.00 14.29 ? CZ ARG A 388 1 -ATOM 2939 N NH1 . ARG A 1 388 . 19.710 70.708 78.412 1.00 19.41 ? NH1 ARG A 388 1 -ATOM 2940 N NH2 . ARG A 1 388 . 21.468 70.114 77.068 1.00 21.28 ? NH2 ARG A 388 1 -ATOM 2941 N N . ASP A 1 389 . 20.858 64.938 75.812 1.00 10.11 ? N ASP A 389 1 -ATOM 2942 C CA . ASP A 1 389 . 21.227 65.033 74.418 1.00 6.98 ? CA ASP A 389 1 -ATOM 2943 C C . ASP A 1 389 . 21.295 63.682 73.756 1.00 6.78 ? C ASP A 389 1 -ATOM 2944 O O . ASP A 1 389 . 20.832 63.526 72.638 1.00 11.27 ? O ASP A 389 1 -ATOM 2945 C CB . ASP A 1 389 . 22.537 65.804 74.258 1.00 11.29 ? CB ASP A 389 1 -ATOM 2946 C CG . ASP A 1 389 . 22.402 67.288 74.636 1.00 17.29 ? CG ASP A 389 1 -ATOM 2947 O OD1 . ASP A 1 389 . 21.275 67.756 74.811 1.00 17.15 ? OD1 ASP A 389 1 -ATOM 2948 O OD2 . ASP A 1 389 . 23.423 67.979 74.735 1.00 17.35 ? OD2 ASP A 389 1 -ATOM 2949 N N . GLY A 1 390 . 21.829 62.673 74.429 1.00 3.73 ? N GLY A 390 1 -ATOM 2950 C CA . GLY A 1 390 . 21.891 61.375 73.763 1.00 6.75 ? CA GLY A 390 1 -ATOM 2951 C C . GLY A 1 390 . 20.517 60.854 73.369 1.00 11.44 ? C GLY A 390 1 -ATOM 2952 O O . GLY A 1 390 . 20.280 60.300 72.303 1.00 18.6 ? O GLY A 390 1 -ATOM 2953 N N . LEU A 1 391 . 19.560 61.102 74.239 1.00 12.73 ? N LEU A 391 1 -ATOM 2954 C CA . LEU A 1 391 . 18.210 60.633 73.972 1.00 13.42 ? CA LEU A 391 1 -ATOM 2955 C C . LEU A 1 391 . 17.604 61.378 72.800 1.00 12.34 ? C LEU A 391 1 -ATOM 2956 O O . LEU A 1 391 . 16.874 60.877 71.957 1.00 11.07 ? O LEU A 391 1 -ATOM 2957 C CB . LEU A 1 391 . 17.431 60.825 75.281 1.00 17.09 ? CB LEU A 391 1 -ATOM 2958 C CG . LEU A 1 391 . 16.427 59.725 75.627 1.00 15.61 ? CG LEU A 391 1 -ATOM 2959 C CD1 . LEU A 1 391 . 17.014 58.315 75.658 1.00 20.05 ? CD1 LEU A 391 1 -ATOM 2960 C CD2 . LEU A 1 391 . 15.854 60.061 76.993 1.00 18.22 ? CD2 LEU A 391 1 -ATOM 2961 N N . ASP A 1 392 . 17.964 62.645 72.739 1.00 13.63 ? N ASP A 392 1 -ATOM 2962 C CA . ASP A 1 392 . 17.482 63.480 71.651 1.00 16.96 ? CA ASP A 392 1 -ATOM 2963 C C . ASP A 1 392 . 18.015 62.979 70.298 1.00 21 ? C ASP A 392 1 -ATOM 2964 O O . ASP A 1 392 . 17.426 63.204 69.238 1.00 25.56 ? O ASP A 392 1 -ATOM 2965 C CB . ASP A 1 392 . 17.897 64.926 71.935 1.00 22.14 ? CB ASP A 392 1 -ATOM 2966 C CG . ASP A 1 392 . 17.358 65.901 70.910 1.00 25.9 ? CG ASP A 392 1 -ATOM 2967 O OD1 . ASP A 1 392 . 17.973 66.037 69.857 1.00 33.47 ? OD1 ASP A 392 1 -ATOM 2968 O OD2 . ASP A 1 392 . 16.335 66.521 71.162 1.00 26.93 ? OD2 ASP A 392 1 -ATOM 2969 N N . ASP A 1 393 . 19.156 62.283 70.341 1.00 19.36 ? N ASP A 393 1 -ATOM 2970 C CA . ASP A 1 393 . 19.713 61.750 69.109 1.00 14.77 ? CA ASP A 393 1 -ATOM 2971 C C . ASP A 1 393 . 19.246 60.355 68.865 1.00 16.13 ? C ASP A 393 1 -ATOM 2972 O O . ASP A 1 393 . 19.321 59.871 67.745 1.00 15.95 ? O ASP A 393 1 -ATOM 2973 C CB . ASP A 1 393 . 21.224 61.641 69.157 1.00 16.7 ? CB ASP A 393 1 -ATOM 2974 C CG . ASP A 1 393 . 21.909 62.970 69.052 1.00 20.9 ? CG ASP A 393 1 -ATOM 2975 O OD1 . ASP A 1 393 . 21.285 63.912 68.572 1.00 28.23 ? OD1 ASP A 393 1 -ATOM 2976 O OD2 . ASP A 1 393 . 23.076 63.058 69.438 1.00 28.4 ? OD2 ASP A 393 1 -ATOM 2977 N N . ILE A 1 394 . 18.806 59.670 69.917 1.00 16.81 ? N ILE A 394 1 -ATOM 2978 C CA . ILE A 1 394 . 18.326 58.320 69.686 1.00 14.79 ? CA ILE A 394 1 -ATOM 2979 C C . ILE A 1 394 . 17.034 58.468 68.911 1.00 14.4 ? C ILE A 394 1 -ATOM 2980 O O . ILE A 1 394 . 16.827 57.899 67.848 1.00 15.07 ? O ILE A 394 1 -ATOM 2981 C CB . ILE A 1 394 . 18.197 57.526 71.020 1.00 9.94 ? CB ILE A 394 1 -ATOM 2982 C CG1 . ILE A 1 394 . 19.600 57.171 71.545 1.00 9.43 ? CG1 ILE A 394 1 -ATOM 2983 C CG2 . ILE A 1 394 . 17.360 56.246 70.892 1.00 3.78 ? CG2 ILE A 394 1 -ATOM 2984 C CD1 . ILE A 1 394 . 19.620 56.444 72.895 1.00 11.88 ? CD1 ILE A 394 1 -ATOM 2985 N N . VAL A 1 395 . 16.159 59.314 69.440 1.00 17.14 ? N VAL A 395 1 -ATOM 2986 C CA . VAL A 1 395 . 14.882 59.476 68.762 1.00 16.27 ? CA VAL A 395 1 -ATOM 2987 C C . VAL A 1 395 . 15.066 59.986 67.326 1.00 18.15 ? C VAL A 395 1 -ATOM 2988 O O . VAL A 1 395 . 14.518 59.477 66.360 1.00 17.08 ? O VAL A 395 1 -ATOM 2989 C CB . VAL A 1 395 . 13.981 60.346 69.672 1.00 13.18 ? CB VAL A 395 1 -ATOM 2990 C CG1 . VAL A 1 395 . 12.546 60.519 69.153 1.00 12.93 ? CG1 VAL A 395 1 -ATOM 2991 C CG2 . VAL A 1 395 . 13.926 59.757 71.097 1.00 6.53 ? CG2 VAL A 395 1 -ATOM 2992 N N . GLY A 1 396 . 15.891 61.009 67.180 1.00 21.58 ? N GLY A 396 1 -ATOM 2993 C CA . GLY A 1 396 . 16.084 61.550 65.844 1.00 18.28 ? CA GLY A 396 1 -ATOM 2994 C C . GLY A 1 396 . 16.695 60.588 64.847 1.00 16.4 ? C GLY A 396 1 -ATOM 2995 O O . GLY A 1 396 . 16.185 60.406 63.751 1.00 23.24 ? O GLY A 396 1 -ATOM 2996 N N . ASP A 1 397 . 17.805 59.961 65.219 1.00 12.43 ? N ASP A 397 1 -ATOM 2997 C CA . ASP A 1 397 . 18.447 59.048 64.289 1.00 3.45 ? CA ASP A 397 1 -ATOM 2998 C C . ASP A 1 397 . 17.594 57.853 63.993 1.00 5.71 ? C ASP A 397 1 -ATOM 2999 O O . ASP A 1 397 . 17.481 57.433 62.852 1.00 11.98 ? O ASP A 397 1 -ATOM 3000 C CB . ASP A 1 397 . 19.799 58.569 64.821 1.00 2.73 ? CB ASP A 397 1 -ATOM 3001 C CG . ASP A 1 397 . 20.775 59.713 65.035 1.00 7.64 ? CG ASP A 397 1 -ATOM 3002 O OD1 . ASP A 1 397 . 20.479 60.845 64.650 1.00 6.63 ? OD1 ASP A 397 1 -ATOM 3003 O OD2 . ASP A 1 397 . 21.844 59.477 65.595 1.00 10.63 ? OD2 ASP A 397 1 -ATOM 3004 N N . HIS A 1 398 . 16.974 57.304 65.016 1.00 5.99 ? N HIS A 398 1 -ATOM 3005 C CA . HIS A 1 398 . 16.160 56.141 64.764 1.00 8.08 ? CA HIS A 398 1 -ATOM 3006 C C . HIS A 1 398 . 14.946 56.444 63.901 1.00 12.21 ? C HIS A 398 1 -ATOM 3007 O O . HIS A 1 398 . 14.656 55.722 62.959 1.00 17.17 ? O HIS A 398 1 -ATOM 3008 C CB . HIS A 1 398 . 15.656 55.541 66.098 1.00 5.36 ? CB HIS A 398 1 -ATOM 3009 C CG . HIS A 1 398 . 14.660 54.405 65.892 1.00 3.31 ? CG HIS A 398 1 -ATOM 3010 N ND1 . HIS A 1 398 . 14.967 53.237 65.314 1.00 2 ? ND1 HIS A 398 1 -ATOM 3011 C CD2 . HIS A 1 398 . 13.281 54.365 66.230 1.00 5.16 ? CD2 HIS A 398 1 -ATOM 3012 C CE1 . HIS A 1 398 . 13.840 52.506 65.297 1.00 2.44 ? CE1 HIS A 398 1 -ATOM 3013 N NE2 . HIS A 1 398 . 12.802 53.160 65.843 1.00 2 ? NE2 HIS A 398 1 -ATOM 3014 N N . ASN A 1 399 . 14.251 57.533 64.234 1.00 11.6 ? N ASN A 399 1 -ATOM 3015 C CA . ASN A 1 399 . 13.000 57.822 63.527 1.00 11.44 ? CA ASN A 399 1 -ATOM 3016 C C . ASN A 1 399 . 12.992 58.748 62.330 1.00 10.94 ? C ASN A 399 1 -ATOM 3017 O O . ASN A 1 399 . 11.989 58.763 61.629 1.00 11.39 ? O ASN A 399 1 -ATOM 3018 C CB . ASN A 1 399 . 11.987 58.485 64.480 1.00 13.59 ? CB ASN A 399 1 -ATOM 3019 C CG . ASN A 1 399 . 11.643 57.649 65.659 1.00 12.03 ? CG ASN A 399 1 -ATOM 3020 O OD1 . ASN A 1 399 . 10.740 56.841 65.605 1.00 7.86 ? OD1 ASN A 399 1 -ATOM 3021 N ND2 . ASN A 1 399 . 12.376 57.852 66.740 1.00 16.18 ? ND2 ASN A 399 1 -ATOM 3022 N N . VAL A 1 400 . 14.027 59.553 62.106 1.00 8.13 ? N VAL A 400 1 -ATOM 3023 C CA . VAL A 1 400 . 13.945 60.448 60.962 1.00 6.64 ? CA VAL A 400 1 -ATOM 3024 C C . VAL A 1 400 . 15.215 60.433 60.133 1.00 11.94 ? C VAL A 400 1 -ATOM 3025 O O . VAL A 1 400 . 15.197 60.192 58.936 1.00 19.91 ? O VAL A 400 1 -ATOM 3026 C CB . VAL A 1 400 . 13.629 61.870 61.447 1.00 2 ? CB VAL A 400 1 -ATOM 3027 C CG1 . VAL A 1 400 . 13.447 62.823 60.272 1.00 9.1 ? CG1 VAL A 400 1 -ATOM 3028 C CG2 . VAL A 1 400 . 12.362 61.916 62.321 1.00 2 ? CG2 VAL A 400 1 -ATOM 3029 N N . ILE A 1 401 . 16.354 60.678 60.767 1.00 12.04 ? N ILE A 401 1 -ATOM 3030 C CA . ILE A 1 401 . 17.569 60.715 59.961 1.00 10.1 ? CA ILE A 401 1 -ATOM 3031 C C . ILE A 1 401 . 17.938 59.398 59.349 1.00 11.78 ? C ILE A 401 1 -ATOM 3032 O O . ILE A 1 401 . 18.093 59.291 58.145 1.00 18.25 ? O ILE A 401 1 -ATOM 3033 C CB . ILE A 1 401 . 18.755 61.335 60.721 1.00 8.29 ? CB ILE A 401 1 -ATOM 3034 C CG1 . ILE A 1 401 . 18.295 62.654 61.372 1.00 3.74 ? CG1 ILE A 401 1 -ATOM 3035 C CG2 . ILE A 1 401 . 19.984 61.535 59.814 1.00 8.02 ? CG2 ILE A 401 1 -ATOM 3036 C CD1 . ILE A 1 401 . 19.433 63.514 61.913 1.00 2 ? CD1 ILE A 401 1 -ATOM 3037 N N . CYS A 1 402 . 18.088 58.365 60.152 1.00 13.62 ? N CYS A 402 1 -ATOM 3038 C CA . CYS A 1 402 . 18.495 57.121 59.506 1.00 14.5 ? CA CYS A 402 1 -ATOM 3039 C C . CYS A 1 402 . 17.572 56.533 58.450 1.00 13.22 ? C CYS A 402 1 -ATOM 3040 O O . CYS A 1 402 . 18.124 56.120 57.438 1.00 19.78 ? O CYS A 402 1 -ATOM 3041 C CB . CYS A 1 402 . 19.014 56.084 60.477 1.00 11.32 ? CB CYS A 402 1 -ATOM 3042 S SG . CYS A 1 402 . 20.385 56.807 61.425 1.00 15.97 ? SG CYS A 402 1 -ATOM 3043 N N . PRO A 1 403 . 16.235 56.464 58.600 1.00 8.93 ? N PRO A 403 1 -ATOM 3044 C CA . PRO A 1 403 . 15.429 55.964 57.494 1.00 10.79 ? CA PRO A 403 1 -ATOM 3045 C C . PRO A 1 403 . 15.525 56.854 56.245 1.00 12.36 ? C PRO A 403 1 -ATOM 3046 O O . PRO A 1 403 . 15.529 56.351 55.119 1.00 14.53 ? O PRO A 403 1 -ATOM 3047 C CB . PRO A 1 403 . 14.006 55.757 58.043 1.00 6.7 ? CB PRO A 403 1 -ATOM 3048 C CG . PRO A 1 403 . 14.020 56.382 59.436 1.00 11.2 ? CG PRO A 403 1 -ATOM 3049 C CD . PRO A 1 403 . 15.491 56.629 59.826 1.00 10.36 ? CD PRO A 403 1 -ATOM 3050 N N . LEU A 1 404 . 15.628 58.175 56.465 1.00 11.19 ? N LEU A 404 1 -ATOM 3051 C CA . LEU A 1 404 . 15.735 59.087 55.320 1.00 9.91 ? CA LEU A 404 1 -ATOM 3052 C C . LEU A 1 404 . 17.004 58.797 54.535 1.00 13.85 ? C LEU A 404 1 -ATOM 3053 O O . LEU A 1 404 . 17.003 58.677 53.314 1.00 16.68 ? O LEU A 404 1 -ATOM 3054 C CB . LEU A 1 404 . 15.669 60.553 55.770 1.00 5.07 ? CB LEU A 404 1 -ATOM 3055 C CG . LEU A 1 404 . 15.739 61.585 54.627 1.00 2.5 ? CG LEU A 404 1 -ATOM 3056 C CD1 . LEU A 1 404 . 14.649 62.656 54.746 1.00 2 ? CD1 LEU A 404 1 -ATOM 3057 C CD2 . LEU A 1 404 . 17.120 62.247 54.544 1.00 6.97 ? CD2 LEU A 404 1 -ATOM 3058 N N . MET A 1 405 . 18.117 58.637 55.263 1.00 12 ? N MET A 405 1 -ATOM 3059 C CA . MET A 1 405 . 19.348 58.326 54.539 1.00 10.39 ? CA MET A 405 1 -ATOM 3060 C C . MET A 1 405 . 19.229 57.001 53.802 1.00 10.1 ? C MET A 405 1 -ATOM 3061 O O . MET A 1 405 . 19.838 56.745 52.774 1.00 12.42 ? O MET A 405 1 -ATOM 3062 C CB . MET A 1 405 . 20.552 58.236 55.476 1.00 6.38 ? CB MET A 405 1 -ATOM 3063 C CG . MET A 1 405 . 20.791 59.550 56.205 1.00 8.23 ? CG MET A 405 1 -ATOM 3064 S SD . MET A 1 405 . 21.080 60.867 55.011 1.00 9.64 ? SD MET A 405 1 -ATOM 3065 C CE . MET A 1 405 . 22.706 60.365 54.398 1.00 6.69 ? CE MET A 405 1 -ATOM 3066 N N . HIS A 1 406 . 18.421 56.121 54.352 1.00 8.78 ? N HIS A 406 1 -ATOM 3067 C CA . HIS A 1 406 . 18.273 54.847 53.674 1.00 14.38 ? CA HIS A 406 1 -ATOM 3068 C C . HIS A 1 406 . 17.589 55.083 52.331 1.00 17.53 ? C HIS A 406 1 -ATOM 3069 O O . HIS A 1 406 . 18.028 54.641 51.274 1.00 22.81 ? O HIS A 406 1 -ATOM 3070 C CB . HIS A 1 406 . 17.449 53.885 54.554 1.00 14.21 ? CB HIS A 406 1 -ATOM 3071 C CG . HIS A 1 406 . 17.406 52.506 53.951 1.00 11.97 ? CG HIS A 406 1 -ATOM 3072 N ND1 . HIS A 1 406 . 18.492 51.722 53.819 1.00 8.45 ? ND1 HIS A 406 1 -ATOM 3073 C CD2 . HIS A 1 406 . 16.284 51.813 53.440 1.00 10.64 ? CD2 HIS A 406 1 -ATOM 3074 C CE1 . HIS A 1 406 . 18.058 50.585 53.250 1.00 10.91 ? CE1 HIS A 406 1 -ATOM 3075 N NE2 . HIS A 1 406 . 16.734 50.620 53.012 1.00 7.82 ? NE2 HIS A 406 1 -ATOM 3076 N N . PHE A 1 407 . 16.493 55.848 52.405 1.00 17.65 ? N PHE A 407 1 -ATOM 3077 C CA . PHE A 1 407 . 15.696 56.164 51.206 1.00 14.69 ? CA PHE A 407 1 -ATOM 3078 C C . PHE A 1 407 . 16.547 56.830 50.161 1.00 14.22 ? C PHE A 407 1 -ATOM 3079 O O . PHE A 1 407 . 16.575 56.427 49.013 1.00 17.34 ? O PHE A 407 1 -ATOM 3080 C CB . PHE A 1 407 . 14.542 57.078 51.605 1.00 12.33 ? CB PHE A 407 1 -ATOM 3081 C CG . PHE A 1 407 . 13.625 57.489 50.499 1.00 3.35 ? CG PHE A 407 1 -ATOM 3082 C CD1 . PHE A 1 407 . 12.684 56.579 50.008 1.00 5.65 ? CD1 PHE A 407 1 -ATOM 3083 C CD2 . PHE A 1 407 . 13.668 58.801 50.002 1.00 6.05 ? CD2 PHE A 407 1 -ATOM 3084 C CE1 . PHE A 1 407 . 11.771 56.991 49.026 1.00 8.33 ? CE1 PHE A 407 1 -ATOM 3085 C CE2 . PHE A 1 407 . 12.757 59.209 49.016 1.00 9.1 ? CE2 PHE A 407 1 -ATOM 3086 C CZ . PHE A 1 407 . 11.805 58.305 48.524 1.00 4.46 ? CZ PHE A 407 1 -ATOM 3087 N N . VAL A 1 408 . 17.279 57.849 50.591 1.00 12.31 ? N VAL A 408 1 -ATOM 3088 C CA . VAL A 1 408 . 18.151 58.552 49.671 1.00 9.26 ? CA VAL A 408 1 -ATOM 3089 C C . VAL A 1 408 . 19.090 57.619 48.972 1.00 11.77 ? C VAL A 408 1 -ATOM 3090 O O . VAL A 1 408 . 19.218 57.638 47.761 1.00 17.89 ? O VAL A 408 1 -ATOM 3091 C CB . VAL A 1 408 . 18.942 59.613 50.439 1.00 5.68 ? CB VAL A 408 1 -ATOM 3092 C CG1 . VAL A 1 408 . 20.075 60.236 49.642 1.00 4.05 ? CG1 VAL A 408 1 -ATOM 3093 C CG2 . VAL A 1 408 . 17.982 60.718 50.857 1.00 15.34 ? CG2 VAL A 408 1 -ATOM 3094 N N . ASN A 1 409 . 19.735 56.759 49.738 1.00 11.92 ? N ASN A 409 1 -ATOM 3095 C CA . ASN A 1 409 . 20.667 55.896 49.049 1.00 11.95 ? CA ASN A 409 1 -ATOM 3096 C C . ASN A 1 409 . 20.016 54.975 48.085 1.00 13.78 ? C ASN A 409 1 -ATOM 3097 O O . ASN A 1 409 . 20.558 54.718 47.022 1.00 17.57 ? O ASN A 409 1 -ATOM 3098 C CB . ASN A 1 409 . 21.513 55.093 50.010 1.00 17.99 ? CB ASN A 409 1 -ATOM 3099 C CG . ASN A 1 409 . 22.596 56.014 50.523 1.00 27.06 ? CG ASN A 409 1 -ATOM 3100 O OD1 . ASN A 1 409 . 23.575 56.287 49.842 1.00 31.47 ? OD1 ASN A 409 1 -ATOM 3101 N ND2 . ASN A 1 409 . 22.413 56.505 51.746 1.00 30.06 ? ND2 ASN A 409 1 -ATOM 3102 N N . LYS A 1 410 . 18.847 54.458 48.435 1.00 14.56 ? N LYS A 410 1 -ATOM 3103 C CA . LYS A 1 410 . 18.255 53.555 47.450 1.00 17 ? CA LYS A 410 1 -ATOM 3104 C C . LYS A 1 410 . 17.628 54.304 46.266 1.00 17.5 ? C LYS A 410 1 -ATOM 3105 O O . LYS A 1 410 . 17.487 53.799 45.165 1.00 19.56 ? O LYS A 410 1 -ATOM 3106 C CB . LYS A 1 410 . 17.248 52.611 48.122 1.00 20.71 ? CB LYS A 410 1 -ATOM 3107 C CG . LYS A 1 410 . 17.908 51.718 49.185 1.00 20.55 ? CG LYS A 410 1 -ATOM 3108 C CD . LYS A 1 410 . 17.452 50.251 49.115 1.00 26.51 ? CD LYS A 410 1 -ATOM 3109 C CE . LYS A 1 410 . 18.611 49.238 49.018 1.00 29.06 ? CE LYS A 410 1 -ATOM 3110 N NZ . LYS A 1 410 . 18.277 48.013 49.749 1.00 39.74 ? NZ LYS A 410 1 -ATOM 3111 N N . TYR A 1 411 . 17.242 55.543 46.489 1.00 16.18 ? N TYR A 411 1 -ATOM 3112 C CA . TYR A 1 411 . 16.627 56.259 45.386 1.00 18.03 ? CA TYR A 411 1 -ATOM 3113 C C . TYR A 1 411 . 17.659 56.751 44.412 1.00 22.49 ? C TYR A 411 1 -ATOM 3114 O O . TYR A 1 411 . 17.502 56.663 43.201 1.00 22.41 ? O TYR A 411 1 -ATOM 3115 C CB . TYR A 1 411 . 15.854 57.471 45.904 1.00 11.23 ? CB TYR A 411 1 -ATOM 3116 C CG . TYR A 1 411 . 14.999 58.125 44.836 1.00 5.6 ? CG TYR A 411 1 -ATOM 3117 C CD1 . TYR A 1 411 . 13.747 57.578 44.508 1.00 2.08 ? CD1 TYR A 411 1 -ATOM 3118 C CD2 . TYR A 1 411 . 15.428 59.307 44.207 1.00 4.34 ? CD2 TYR A 411 1 -ATOM 3119 C CE1 . TYR A 1 411 . 12.913 58.220 43.586 1.00 4.24 ? CE1 TYR A 411 1 -ATOM 3120 C CE2 . TYR A 1 411 . 14.598 59.950 43.287 1.00 2 ? CE2 TYR A 411 1 -ATOM 3121 C CZ . TYR A 1 411 . 13.344 59.409 42.977 1.00 8.61 ? CZ TYR A 411 1 -ATOM 3122 O OH . TYR A 1 411 . 12.557 60.074 42.057 1.00 16.66 ? OH TYR A 411 1 -ATOM 3123 N N . THR A 1 412 . 18.740 57.293 44.956 1.00 24.51 ? N THR A 412 1 -ATOM 3124 C CA . THR A 1 412 . 19.797 57.830 44.105 1.00 25.23 ? CA THR A 412 1 -ATOM 3125 C C . THR A 1 412 . 20.306 56.858 43.091 1.00 22.66 ? C THR A 412 1 -ATOM 3126 O O . THR A 1 412 . 20.812 57.270 42.056 1.00 23.24 ? O THR A 412 1 -ATOM 3127 C CB . THR A 1 412 . 20.895 58.461 44.978 1.00 24.6 ? CB THR A 412 1 -ATOM 3128 O OG1 . THR A 1 412 . 20.281 59.445 45.809 1.00 26.37 ? OG1 THR A 412 1 -ATOM 3129 C CG2 . THR A 1 412 . 21.998 59.210 44.205 1.00 26.6 ? CG2 THR A 412 1 -ATOM 3130 N N . LYS A 1 413 . 20.163 55.564 43.354 1.00 23.19 ? N LYS A 413 1 -ATOM 3131 C CA . LYS A 1 413 . 20.682 54.713 42.345 1.00 25.73 ? CA LYS A 413 1 -ATOM 3132 C C . LYS A 1 413 . 19.917 54.864 41.029 1.00 26.73 ? C LYS A 413 1 -ATOM 3133 O O . LYS A 1 413 . 20.461 54.651 40.014 1.00 28.6 ? O LYS A 413 1 -ATOM 3134 C CB . LYS A 1 413 . 20.665 53.230 42.754 1.00 24.16 ? CB LYS A 413 1 -ATOM 3135 C CG . LYS A 1 413 . 21.693 52.927 43.883 1.00 27.52 ? CG LYS A 413 1 -ATOM 3136 C CD . LYS A 1 413 . 21.330 51.727 44.779 1.00 36.17 ? CD LYS A 413 1 -ATOM 3137 N N . PHE A 1 414 . 18.623 55.180 41.183 1.00 28.42 ? N PHE A 414 1 -ATOM 3138 C CA . PHE A 1 414 . 17.814 55.245 39.972 1.00 29.89 ? CA PHE A 414 1 -ATOM 3139 C C . PHE A 1 414 . 17.061 56.556 39.706 1.00 28.33 ? C PHE A 414 1 -ATOM 3140 O O . PHE A 1 414 . 16.297 56.674 38.736 1.00 31.27 ? O PHE A 414 1 -ATOM 3141 C CB . PHE A 1 414 . 16.740 54.146 40.065 1.00 32.75 ? CB PHE A 414 1 -ATOM 3142 C CG . PHE A 1 414 . 17.272 52.746 40.301 1.00 37.5 ? CG PHE A 414 1 -ATOM 3143 C CD1 . PHE A 1 414 . 18.572 52.276 40.169 1.00 44.88 ? CD1 PHE A 414 1 -ATOM 3144 C CD2 . PHE A 1 414 . 16.344 51.858 40.722 1.00 43.49 ? CD2 PHE A 414 1 -ATOM 3145 C CE1 . PHE A 1 414 . 18.984 51.007 40.512 1.00 50.06 ? CE1 PHE A 414 1 -ATOM 3146 C CE2 . PHE A 1 414 . 16.694 50.529 41.049 1.00 45.95 ? CE2 PHE A 414 1 -ATOM 3147 C CZ . PHE A 1 414 . 18.030 50.125 40.954 1.00 46.66 ? CZ PHE A 414 1 -ATOM 3148 N N . GLY A 1 415 . 17.218 57.553 40.575 1.00 26.12 ? N GLY A 415 1 -ATOM 3149 C CA . GLY A 1 415 . 16.485 58.772 40.358 1.00 25.57 ? CA GLY A 415 1 -ATOM 3150 C C . GLY A 1 415 . 17.222 59.643 39.391 1.00 25.05 ? C GLY A 415 1 -ATOM 3151 O O . GLY A 1 415 . 18.299 59.318 38.929 1.00 23.29 ? O GLY A 415 1 -ATOM 3152 N N . ASN A 1 416 . 16.658 60.812 39.103 1.00 28.85 ? N ASN A 416 1 -ATOM 3153 C CA . ASN A 1 416 . 17.307 61.714 38.161 1.00 34.03 ? CA ASN A 416 1 -ATOM 3154 C C . ASN A 1 416 . 17.867 62.946 38.848 1.00 33.9 ? C ASN A 416 1 -ATOM 3155 O O . ASN A 1 416 . 17.753 64.054 38.351 1.00 35.24 ? O ASN A 416 1 -ATOM 3156 C CB . ASN A 1 416 . 16.331 62.053 36.999 1.00 39.49 ? CB ASN A 416 1 -ATOM 3157 C CG . ASN A 1 416 . 16.946 62.694 35.738 1.00 42.24 ? CG ASN A 416 1 -ATOM 3158 O OD1 . ASN A 1 416 . 16.387 63.603 35.139 1.00 46.71 ? OD1 ASN A 416 1 -ATOM 3159 N ND2 . ASN A 1 416 . 18.100 62.178 35.308 1.00 38.36 ? ND2 ASN A 416 1 -ATOM 3160 N N . GLY A 1 417 . 18.467 62.755 40.028 1.00 37.53 ? N GLY A 417 1 -ATOM 3161 C CA . GLY A 1 417 . 19.061 63.874 40.788 1.00 35.91 ? CA GLY A 417 1 -ATOM 3162 C C . GLY A 1 417 . 18.572 63.903 42.225 1.00 30.56 ? C GLY A 417 1 -ATOM 3163 O O . GLY A 1 417 . 17.407 63.631 42.488 1.00 29.49 ? O GLY A 417 1 -ATOM 3164 N N . THR A 1 418 . 19.465 64.226 43.162 1.00 27.58 ? N THR A 418 1 -ATOM 3165 C CA . THR A 1 418 . 19.038 64.247 44.557 1.00 27.31 ? CA THR A 418 1 -ATOM 3166 C C . THR A 1 418 . 19.764 65.383 45.256 1.00 25.21 ? C THR A 418 1 -ATOM 3167 O O . THR A 1 418 . 20.978 65.478 45.111 1.00 26.31 ? O THR A 418 1 -ATOM 3168 C CB . THR A 1 418 . 19.424 62.879 45.187 1.00 23.65 ? CB THR A 418 1 -ATOM 3169 O OG1 . THR A 1 418 . 18.789 61.811 44.470 1.00 29.4 ? OG1 THR A 418 1 -ATOM 3170 C CG2 . THR A 1 418 . 19.017 62.701 46.648 1.00 21.43 ? CG2 THR A 418 1 -ATOM 3171 N N . TYR A 1 419 . 19.030 66.227 45.997 1.00 22.29 ? N TYR A 419 1 -ATOM 3172 C CA . TYR A 1 419 . 19.643 67.346 46.738 1.00 25.88 ? CA TYR A 419 1 -ATOM 3173 C C . TYR A 1 419 . 19.254 67.124 48.199 1.00 25.8 ? C TYR A 419 1 -ATOM 3174 O O . TYR A 1 419 . 18.079 66.883 48.465 1.00 27.82 ? O TYR A 419 1 -ATOM 3175 C CB . TYR A 1 419 . 19.164 68.702 46.184 1.00 30.13 ? CB TYR A 419 1 -ATOM 3176 C CG . TYR A 1 419 . 19.512 68.841 44.711 1.00 29.73 ? CG TYR A 419 1 -ATOM 3177 C CD1 . TYR A 1 419 . 18.600 68.368 43.751 1.00 31.8 ? CD1 TYR A 419 1 -ATOM 3178 C CD2 . TYR A 1 419 . 20.734 69.407 44.287 1.00 26.44 ? CD2 TYR A 419 1 -ATOM 3179 C CE1 . TYR A 1 419 . 18.899 68.453 42.387 1.00 32.84 ? CE1 TYR A 419 1 -ATOM 3180 C CE2 . TYR A 1 419 . 21.036 69.489 42.917 1.00 27.55 ? CE2 TYR A 419 1 -ATOM 3181 C CZ . TYR A 1 419 . 20.114 69.013 41.961 1.00 31.05 ? CZ TYR A 419 1 -ATOM 3182 O OH . TYR A 1 419 . 20.364 69.090 40.602 1.00 31.88 ? OH TYR A 419 1 -ATOM 3183 N N . LEU A 1 420 . 20.228 67.176 49.121 1.00 19.41 ? N LEU A 420 1 -ATOM 3184 C CA . LEU A 1 420 . 20.014 66.915 50.540 1.00 17.98 ? CA LEU A 420 1 -ATOM 3185 C C . LEU A 1 420 . 20.492 68.074 51.392 1.00 19.04 ? C LEU A 420 1 -ATOM 3186 O O . LEU A 1 420 . 21.580 68.595 51.158 1.00 16.48 ? O LEU A 420 1 -ATOM 3187 C CB . LEU A 1 420 . 20.834 65.657 50.884 1.00 13.19 ? CB LEU A 420 1 -ATOM 3188 C CG . LEU A 1 420 . 20.683 65.139 52.324 1.00 13.97 ? CG LEU A 420 1 -ATOM 3189 C CD1 . LEU A 1 420 . 19.221 64.883 52.694 1.00 13.11 ? CD1 LEU A 420 1 -ATOM 3190 C CD2 . LEU A 1 420 . 21.501 63.860 52.553 1.00 9.68 ? CD2 LEU A 420 1 -ATOM 3191 N N . TYR A 1 421 . 19.674 68.470 52.388 1.00 20 ? N TYR A 421 1 -ATOM 3192 C CA . TYR A 1 421 . 20.041 69.576 53.300 1.00 21.21 ? CA TYR A 421 1 -ATOM 3193 C C . TYR A 1 421 . 19.942 69.123 54.759 1.00 22.16 ? C TYR A 421 1 -ATOM 3194 O O . TYR A 1 421 . 19.268 68.147 55.083 1.00 27.68 ? O TYR A 421 1 -ATOM 3195 C CB . TYR A 1 421 . 19.160 70.825 53.113 1.00 18.16 ? CB TYR A 421 1 -ATOM 3196 C CG . TYR A 1 421 . 17.717 70.594 53.501 1.00 20.61 ? CG TYR A 421 1 -ATOM 3197 C CD1 . TYR A 1 421 . 16.780 70.057 52.595 1.00 18.3 ? CD1 TYR A 421 1 -ATOM 3198 C CD2 . TYR A 1 421 . 17.312 70.898 54.806 1.00 17.41 ? CD2 TYR A 421 1 -ATOM 3199 C CE1 . TYR A 1 421 . 15.451 69.838 53.002 1.00 18.02 ? CE1 TYR A 421 1 -ATOM 3200 C CE2 . TYR A 1 421 . 15.996 70.665 55.207 1.00 18.17 ? CE2 TYR A 421 1 -ATOM 3201 C CZ . TYR A 1 421 . 15.057 70.145 54.313 1.00 17.49 ? CZ TYR A 421 1 -ATOM 3202 O OH . TYR A 1 421 . 13.749 69.954 54.734 1.00 23.43 ? OH TYR A 421 1 -ATOM 3203 N N . PHE A 1 422 . 20.608 69.887 55.631 1.00 19.35 ? N PHE A 422 1 -ATOM 3204 C CA . PHE A 1 422 . 20.637 69.652 57.073 1.00 16.89 ? CA PHE A 422 1 -ATOM 3205 C C . PHE A 1 422 . 20.322 71.005 57.627 1.00 15.31 ? C PHE A 422 1 -ATOM 3206 O O . PHE A 1 422 . 21.156 71.895 57.543 1.00 17.01 ? O PHE A 422 1 -ATOM 3207 C CB . PHE A 1 422 . 22.054 69.215 57.459 1.00 17.68 ? CB PHE A 422 1 -ATOM 3208 C CG . PHE A 1 422 . 22.178 68.850 58.909 1.00 18.34 ? CG PHE A 422 1 -ATOM 3209 C CD1 . PHE A 1 422 . 21.524 67.705 59.394 1.00 17.93 ? CD1 PHE A 422 1 -ATOM 3210 C CD2 . PHE A 1 422 . 22.957 69.638 59.779 1.00 20.27 ? CD2 PHE A 422 1 -ATOM 3211 C CE1 . PHE A 1 422 . 21.650 67.347 60.742 1.00 16.41 ? CE1 PHE A 422 1 -ATOM 3212 C CE2 . PHE A 1 422 . 23.087 69.277 61.123 1.00 16.33 ? CE2 PHE A 422 1 -ATOM 3213 C CZ . PHE A 1 422 . 22.431 68.132 61.601 1.00 17.51 ? CZ PHE A 422 1 -ATOM 3214 N N . PHE A 1 423 . 19.102 71.191 58.111 1.00 14.66 ? N PHE A 423 1 -ATOM 3215 C CA . PHE A 1 423 . 18.694 72.484 58.631 1.00 16.94 ? CA PHE A 423 1 -ATOM 3216 C C . PHE A 1 423 . 19.040 72.523 60.103 1.00 20.96 ? C PHE A 423 1 -ATOM 3217 O O . PHE A 1 423 . 18.555 71.738 60.923 1.00 26.49 ? O PHE A 423 1 -ATOM 3218 C CB . PHE A 1 423 . 17.200 72.684 58.390 1.00 12.96 ? CB PHE A 423 1 -ATOM 3219 C CG . PHE A 1 423 . 16.724 74.040 58.834 1.00 12.99 ? CG PHE A 423 1 -ATOM 3220 C CD1 . PHE A 1 423 . 16.886 75.165 58.004 1.00 14.02 ? CD1 PHE A 423 1 -ATOM 3221 C CD2 . PHE A 1 423 . 16.100 74.192 60.080 1.00 17.13 ? CD2 PHE A 423 1 -ATOM 3222 C CE1 . PHE A 1 423 . 16.416 76.428 58.401 1.00 11.33 ? CE1 PHE A 423 1 -ATOM 3223 C CE2 . PHE A 1 423 . 15.623 75.456 60.481 1.00 20.89 ? CE2 PHE A 423 1 -ATOM 3224 C CZ . PHE A 1 423 . 15.778 76.573 59.637 1.00 15.84 ? CZ PHE A 423 1 -ATOM 3225 N N . ASN A 1 424 . 19.894 73.481 60.441 1.00 18.24 ? N ASN A 424 1 -ATOM 3226 C CA . ASN A 1 424 . 20.337 73.577 61.812 1.00 14.83 ? CA ASN A 424 1 -ATOM 3227 C C . ASN A 1 424 . 20.403 74.990 62.302 1.00 12.86 ? C ASN A 424 1 -ATOM 3228 O O . ASN A 1 424 . 21.415 75.403 62.828 1.00 16.41 ? O ASN A 424 1 -ATOM 3229 C CB . ASN A 1 424 . 21.694 72.892 61.978 1.00 9.86 ? CB ASN A 424 1 -ATOM 3230 C CG . ASN A 1 424 . 22.744 73.517 61.102 1.00 14.25 ? CG ASN A 424 1 -ATOM 3231 O OD1 . ASN A 1 424 . 22.489 74.376 60.268 1.00 19.01 ? OD1 ASN A 424 1 -ATOM 3232 N ND2 . ASN A 1 424 . 23.976 73.051 61.272 1.00 17.43 ? ND2 ASN A 424 1 -ATOM 3233 N N . HIS A 1 425 . 19.324 75.737 62.152 1.00 14.01 ? N HIS A 425 1 -ATOM 3234 C CA . HIS A 1 425 . 19.291 77.111 62.619 1.00 14.7 ? CA HIS A 425 1 -ATOM 3235 C C . HIS A 1 425 . 18.127 77.227 63.581 1.00 20.28 ? C HIS A 425 1 -ATOM 3236 O O . HIS A 1 425 . 17.025 76.743 63.342 1.00 22.87 ? O HIS A 425 1 -ATOM 3237 C CB . HIS A 1 425 . 19.069 78.038 61.424 1.00 13.69 ? CB HIS A 425 1 -ATOM 3238 C CG . HIS A 1 425 . 18.758 79.457 61.849 1.00 16.2 ? CG HIS A 425 1 -ATOM 3239 N ND1 . HIS A 1 425 . 19.673 80.364 62.264 1.00 14.43 ? ND1 HIS A 425 1 -ATOM 3240 C CD2 . HIS A 1 425 . 17.483 80.067 61.888 1.00 16.15 ? CD2 HIS A 425 1 -ATOM 3241 C CE1 . HIS A 1 425 . 18.988 81.491 62.540 1.00 13.89 ? CE1 HIS A 425 1 -ATOM 3242 N NE2 . HIS A 1 425 . 17.667 81.335 62.316 1.00 13.71 ? NE2 HIS A 425 1 -ATOM 3243 N N . ARG A 1 426 . 18.386 77.897 64.696 1.00 24.28 ? N ARG A 426 1 -ATOM 3244 C CA . ARG A 1 426 . 17.337 78.083 65.683 1.00 27.35 ? CA ARG A 426 1 -ATOM 3245 C C . ARG A 1 426 . 16.832 79.506 65.509 1.00 27.39 ? C ARG A 426 1 -ATOM 3246 O O . ARG A 1 426 . 17.588 80.471 65.630 1.00 26.12 ? O ARG A 426 1 -ATOM 3247 C CB . ARG A 1 426 . 17.902 77.842 67.106 1.00 30.12 ? CB ARG A 426 1 -ATOM 3248 C CG . ARG A 1 426 . 16.810 77.838 68.200 1.00 36.19 ? CG ARG A 426 1 -ATOM 3249 C CD . ARG A 1 426 . 17.260 77.301 69.568 1.00 36.3 ? CD ARG A 426 1 -ATOM 3250 N NE . ARG A 1 426 . 16.233 77.525 70.574 1.00 39.87 ? NE ARG A 426 1 -ATOM 3251 C CZ . ARG A 1 426 . 16.103 78.735 71.150 1.00 44.86 ? CZ ARG A 426 1 -ATOM 3252 N NH1 . ARG A 1 426 . 16.896 79.766 70.825 1.00 45.41 ? NH1 ARG A 426 1 -ATOM 3253 N NH2 . ARG A 1 426 . 15.158 78.908 72.068 1.00 46.68 ? NH2 ARG A 426 1 -ATOM 3254 N N . ALA A 1 427 . 15.526 79.628 65.219 1.00 25.42 ? N ALA A 427 1 -ATOM 3255 C CA . ALA A 1 427 . 15.003 80.979 65.054 1.00 24.06 ? CA ALA A 427 1 -ATOM 3256 C C . ALA A 1 427 . 15.285 81.755 66.302 1.00 24.95 ? C ALA A 427 1 -ATOM 3257 O O . ALA A 1 427 . 15.147 81.236 67.399 1.00 23.58 ? O ALA A 427 1 -ATOM 3258 C CB . ALA A 1 427 . 13.487 81.020 64.833 1.00 21.86 ? CB ALA A 427 1 -ATOM 3259 N N . SER A 1 428 . 15.636 83.023 66.100 1.00 27.92 ? N SER A 428 1 -ATOM 3260 C CA . SER A 1 428 . 15.952 83.883 67.235 1.00 27.44 ? CA SER A 428 1 -ATOM 3261 C C . SER A 1 428 . 14.768 84.113 68.163 1.00 27.61 ? C SER A 428 1 -ATOM 3262 O O . SER A 1 428 . 14.926 84.401 69.339 1.00 33.83 ? O SER A 428 1 -ATOM 3263 C CB . SER A 1 428 . 16.575 85.213 66.778 1.00 25.08 ? CB SER A 428 1 -ATOM 3264 O OG . SER A 1 428 . 15.802 85.842 65.750 1.00 27.48 ? OG SER A 428 1 -ATOM 3265 N N . ASN A 1 429 . 13.572 83.993 67.608 1.00 25.58 ? N ASN A 429 1 -ATOM 3266 C CA . ASN A 1 429 . 12.360 84.182 68.382 1.00 26.14 ? CA ASN A 429 1 -ATOM 3267 C C . ASN A 1 429 . 11.719 82.855 68.810 1.00 29.45 ? C ASN A 429 1 -ATOM 3268 O O . ASN A 1 429 . 10.538 82.806 69.149 1.00 31.59 ? O ASN A 429 1 -ATOM 3269 C CB . ASN A 1 429 . 11.360 85.021 67.566 1.00 27.84 ? CB ASN A 429 1 -ATOM 3270 C CG . ASN A 1 429 . 11.162 84.534 66.142 1.00 30.89 ? CG ASN A 429 1 -ATOM 3271 O OD1 . ASN A 1 429 . 11.689 83.507 65.720 1.00 28.88 ? OD1 ASN A 429 1 -ATOM 3272 N ND2 . ASN A 1 429 . 10.414 85.321 65.380 1.00 31.96 ? ND2 ASN A 429 1 -ATOM 3273 N N . LEU A 1 430 . 12.494 81.755 68.801 1.00 27.22 ? N LEU A 430 1 -ATOM 3274 C CA . LEU A 1 430 . 11.872 80.491 69.183 1.00 24.25 ? CA LEU A 430 1 -ATOM 3275 C C . LEU A 1 430 . 11.330 80.608 70.604 1.00 25.62 ? C LEU A 430 1 -ATOM 3276 O O . LEU A 1 430 . 12.050 81.102 71.463 1.00 28.75 ? O LEU A 430 1 -ATOM 3277 C CB . LEU A 1 430 . 12.928 79.358 69.116 1.00 22.89 ? CB LEU A 430 1 -ATOM 3278 C CG . LEU A 1 430 . 12.497 78.024 68.491 1.00 21.01 ? CG LEU A 430 1 -ATOM 3279 C CD1 . LEU A 1 430 . 11.098 77.558 68.878 1.00 25.25 ? CD1 LEU A 430 1 -ATOM 3280 C CD2 . LEU A 1 430 . 12.610 78.064 66.978 1.00 32.12 ? CD2 LEU A 430 1 -ATOM 3281 N N . VAL A 1 431 . 10.083 80.155 70.846 1.00 24.53 ? N VAL A 431 1 -ATOM 3282 C CA . VAL A 1 431 . 9.550 80.220 72.222 1.00 23.47 ? CA VAL A 431 1 -ATOM 3283 C C . VAL A 1 431 . 9.752 78.924 73.018 1.00 20.42 ? C VAL A 431 1 -ATOM 3284 O O . VAL A 1 431 . 9.338 78.790 74.157 1.00 22.54 ? O VAL A 431 1 -ATOM 3285 C CB . VAL A 1 431 . 8.045 80.571 72.220 1.00 20.23 ? CB VAL A 431 1 -ATOM 3286 C CG1 . VAL A 1 431 . 7.851 81.943 71.578 1.00 24.35 ? CG1 VAL A 431 1 -ATOM 3287 C CG2 . VAL A 1 431 . 7.178 79.519 71.508 1.00 17.82 ? CG2 VAL A 431 1 -ATOM 3288 N N . TRP A 1 432 . 10.322 77.925 72.377 1.00 16.34 ? N TRP A 432 1 -ATOM 3289 C CA . TRP A 1 432 . 10.549 76.664 73.056 1.00 14.4 ? CA TRP A 432 1 -ATOM 3290 C C . TRP A 1 432 . 11.928 76.825 73.709 1.00 13.99 ? C TRP A 432 1 -ATOM 3291 O O . TRP A 1 432 . 12.698 77.677 73.290 1.00 13.34 ? O TRP A 432 1 -ATOM 3292 C CB . TRP A 1 432 . 10.491 75.491 72.050 1.00 11.71 ? CB TRP A 432 1 -ATOM 3293 C CG . TRP A 1 432 . 9.087 75.215 71.549 1.00 13.78 ? CG TRP A 432 1 -ATOM 3294 C CD1 . TRP A 1 432 . 8.494 75.696 70.352 1.00 14.89 ? CD1 TRP A 432 1 -ATOM 3295 C CD2 . TRP A 1 432 . 8.113 74.417 72.184 1.00 15.44 ? CD2 TRP A 432 1 -ATOM 3296 N NE1 . TRP A 1 432 . 7.217 75.230 70.222 1.00 13.83 ? NE1 TRP A 432 1 -ATOM 3297 C CE2 . TRP A 1 432 . 6.919 74.434 71.305 1.00 16.22 ? CE2 TRP A 432 1 -ATOM 3298 C CE3 . TRP A 1 432 . 8.058 73.711 73.388 1.00 16.05 ? CE3 TRP A 432 1 -ATOM 3299 C CZ2 . TRP A 1 432 . 5.771 73.727 71.707 1.00 14.52 ? CZ2 TRP A 432 1 -ATOM 3300 C CZ3 . TRP A 1 432 . 6.884 73.027 73.752 1.00 15.01 ? CZ3 TRP A 432 1 -ATOM 3301 C CH2 . TRP A 1 432 . 5.757 73.028 72.921 1.00 12.98 ? CH2 TRP A 432 1 -ATOM 3302 N N . PRO A 1 433 . 12.245 76.018 74.743 1.00 12.67 ? N PRO A 433 1 -ATOM 3303 C CA . PRO A 1 433 . 13.523 76.153 75.404 1.00 9.19 ? CA PRO A 433 1 -ATOM 3304 C C . PRO A 1 433 . 14.678 75.802 74.534 1.00 12.11 ? C PRO A 433 1 -ATOM 3305 O O . PRO A 1 433 . 14.623 74.982 73.635 1.00 21.23 ? O PRO A 433 1 -ATOM 3306 C CB . PRO A 1 433 . 13.459 75.154 76.556 1.00 8.32 ? CB PRO A 433 1 -ATOM 3307 C CG . PRO A 1 433 . 12.309 74.202 76.229 1.00 4.9 ? CG PRO A 433 1 -ATOM 3308 C CD . PRO A 1 433 . 11.370 75.011 75.342 1.00 9.63 ? CD PRO A 433 1 -ATOM 3309 N N . GLU A 1 434 . 15.797 76.398 74.910 1.00 15.38 ? N GLU A 434 1 -ATOM 3310 C CA . GLU A 1 434 . 17.052 76.209 74.207 1.00 14.21 ? CA GLU A 434 1 -ATOM 3311 C C . GLU A 1 434 . 17.471 74.746 74.132 1.00 13.83 ? C GLU A 434 1 -ATOM 3312 O O . GLU A 1 434 . 18.152 74.354 73.203 1.00 17.17 ? O GLU A 434 1 -ATOM 3313 C CB . GLU A 1 434 . 18.131 77.082 74.901 1.00 12.25 ? CB GLU A 434 1 -ATOM 3314 C CG . GLU A 1 434 . 19.471 77.250 74.154 1.00 20.68 ? CG GLU A 434 1 -ATOM 3315 N N . TRP A 1 435 . 17.062 73.930 75.109 1.00 13.6 ? N TRP A 435 1 -ATOM 3316 C CA . TRP A 1 435 . 17.525 72.544 75.044 1.00 13.74 ? CA TRP A 435 1 -ATOM 3317 C C . TRP A 1 435 . 16.939 71.785 73.877 1.00 16.4 ? C TRP A 435 1 -ATOM 3318 O O . TRP A 1 435 . 17.517 70.819 73.400 1.00 23.41 ? O TRP A 435 1 -ATOM 3319 C CB . TRP A 1 435 . 17.391 71.777 76.402 1.00 13.33 ? CB TRP A 435 1 -ATOM 3320 C CG . TRP A 1 435 . 15.962 71.442 76.812 1.00 7.61 ? CG TRP A 435 1 -ATOM 3321 C CD1 . TRP A 1 435 . 15.117 72.204 77.650 1.00 5.44 ? CD1 TRP A 435 1 -ATOM 3322 C CD2 . TRP A 1 435 . 15.215 70.325 76.407 1.00 5.75 ? CD2 TRP A 435 1 -ATOM 3323 N NE1 . TRP A 1 435 . 13.895 71.623 77.769 1.00 2 ? NE1 TRP A 435 1 -ATOM 3324 C CE2 . TRP A 1 435 . 13.876 70.476 77.028 1.00 4 ? CE2 TRP A 435 1 -ATOM 3325 C CE3 . TRP A 1 435 . 15.492 69.206 75.613 1.00 5.4 ? CE3 TRP A 435 1 -ATOM 3326 C CZ2 . TRP A 1 435 . 12.889 69.511 76.783 1.00 5.82 ? CZ2 TRP A 435 1 -ATOM 3327 C CZ3 . TRP A 1 435 . 14.484 68.250 75.403 1.00 9.91 ? CZ3 TRP A 435 1 -ATOM 3328 C CH2 . TRP A 1 435 . 13.197 68.405 75.967 1.00 8.73 ? CH2 TRP A 435 1 -ATOM 3329 N N . MET A 1 436 . 15.758 72.216 73.436 1.00 16.03 ? N MET A 436 1 -ATOM 3330 C CA . MET A 1 436 . 15.126 71.534 72.318 1.00 17.89 ? CA MET A 436 1 -ATOM 3331 C C . MET A 1 436 . 15.859 71.830 70.984 1.00 20.1 ? C MET A 436 1 -ATOM 3332 O O . MET A 1 436 . 15.715 71.137 69.985 1.00 20.8 ? O MET A 436 1 -ATOM 3333 C CB . MET A 1 436 . 13.632 71.873 72.286 1.00 14.73 ? CB MET A 436 1 -ATOM 3334 C CG . MET A 1 436 . 12.913 71.395 73.543 1.00 10.31 ? CG MET A 436 1 -ATOM 3335 S SD . MET A 1 436 . 11.190 71.974 73.524 1.00 13.56 ? SD MET A 436 1 -ATOM 3336 C CE . MET A 1 436 . 10.487 70.820 72.309 1.00 13.12 ? CE MET A 436 1 -ATOM 3337 N N . GLY A 1 437 . 16.660 72.895 70.964 1.00 20.64 ? N GLY A 437 1 -ATOM 3338 C CA . GLY A 1 437 . 17.403 73.168 69.739 1.00 18.75 ? CA GLY A 437 1 -ATOM 3339 C C . GLY A 1 437 . 16.552 73.492 68.521 1.00 17.03 ? C GLY A 437 1 -ATOM 3340 O O . GLY A 1 437 . 15.594 74.256 68.593 1.00 18.08 ? O GLY A 437 1 -ATOM 3341 N N . VAL A 1 438 . 16.977 72.905 67.382 1.00 12.62 ? N VAL A 438 1 -ATOM 3342 C CA . VAL A 1 438 . 16.330 73.055 66.081 1.00 9.94 ? CA VAL A 438 1 -ATOM 3343 C C . VAL A 1 438 . 15.270 71.965 66.028 1.00 6.84 ? C VAL A 438 1 -ATOM 3344 O O . VAL A 1 438 . 15.538 70.830 65.653 1.00 2 ? O VAL A 438 1 -ATOM 3345 C CB . VAL A 1 438 . 17.385 72.902 64.976 1.00 6.49 ? CB VAL A 438 1 -ATOM 3346 C CG1 . VAL A 1 438 . 16.813 73.247 63.604 1.00 12.47 ? CG1 VAL A 438 1 -ATOM 3347 C CG2 . VAL A 1 438 . 18.622 73.766 65.262 1.00 4.15 ? CG2 VAL A 438 1 -ATOM 3348 N N . ILE A 1 439 . 14.062 72.371 66.379 1.00 8.21 ? N ILE A 439 1 -ATOM 3349 C CA . ILE A 1 439 . 12.963 71.434 66.493 1.00 9.83 ? CA ILE A 439 1 -ATOM 3350 C C . ILE A 1 439 . 12.315 70.981 65.199 1.00 12.68 ? C ILE A 439 1 -ATOM 3351 O O . ILE A 1 439 . 12.240 71.645 64.166 1.00 17.5 ? O ILE A 439 1 -ATOM 3352 C CB . ILE A 1 439 . 11.928 72.134 67.412 1.00 8.73 ? CB ILE A 439 1 -ATOM 3353 C CG1 . ILE A 1 439 . 12.536 72.553 68.764 1.00 5.52 ? CG1 ILE A 439 1 -ATOM 3354 C CG2 . ILE A 1 439 . 10.641 71.337 67.687 1.00 9.39 ? CG2 ILE A 439 1 -ATOM 3355 C CD1 . ILE A 1 439 . 11.738 73.672 69.435 1.00 2 ? CD1 ILE A 439 1 -ATOM 3356 N N . HIS A 1 440 . 11.787 69.767 65.315 1.00 10.68 ? N HIS A 440 1 -ATOM 3357 C CA . HIS A 1 440 . 11.053 69.108 64.252 1.00 9.48 ? CA HIS A 440 1 -ATOM 3358 C C . HIS A 1 440 . 9.911 70.051 63.934 1.00 9.31 ? C HIS A 440 1 -ATOM 3359 O O . HIS A 1 440 . 9.208 70.462 64.829 1.00 8.12 ? O HIS A 440 1 -ATOM 3360 C CB . HIS A 1 440 . 10.550 67.777 64.839 1.00 8.57 ? CB HIS A 440 1 -ATOM 3361 C CG . HIS A 1 440 . 9.657 66.946 63.948 1.00 7.99 ? CG HIS A 440 1 -ATOM 3362 N ND1 . HIS A 1 440 . 10.086 66.014 63.073 1.00 6.63 ? ND1 HIS A 440 1 -ATOM 3363 C CD2 . HIS A 1 440 . 8.240 66.895 63.984 1.00 9.96 ? CD2 HIS A 440 1 -ATOM 3364 C CE1 . HIS A 1 440 . 8.975 65.395 62.600 1.00 12.43 ? CE1 HIS A 440 1 -ATOM 3365 N NE2 . HIS A 1 440 . 7.845 65.912 63.137 1.00 10.39 ? NE2 HIS A 440 1 -ATOM 3366 N N . GLY A 1 441 . 9.782 70.443 62.665 1.00 12.04 ? N GLY A 441 1 -ATOM 3367 C CA . GLY A 1 441 . 8.713 71.358 62.293 1.00 8.35 ? CA GLY A 441 1 -ATOM 3368 C C . GLY A 1 441 . 9.180 72.772 62.174 1.00 8.92 ? C GLY A 441 1 -ATOM 3369 O O . GLY A 1 441 . 8.565 73.583 61.507 1.00 9.77 ? O GLY A 441 1 -ATOM 3370 N N . TYR A 1 442 . 10.356 73.065 62.706 1.00 8.66 ? N TYR A 442 1 -ATOM 3371 C CA . TYR A 1 442 . 10.755 74.475 62.684 1.00 11.82 ? CA TYR A 442 1 -ATOM 3372 C C . TYR A 1 442 . 11.364 75.119 61.445 1.00 13.54 ? C TYR A 442 1 -ATOM 3373 O O . TYR A 1 442 . 11.672 76.305 61.457 1.00 20.09 ? O TYR A 442 1 -ATOM 3374 C CB . TYR A 1 442 . 11.369 74.815 64.079 1.00 11.19 ? CB TYR A 442 1 -ATOM 3375 C CG . TYR A 1 442 . 10.204 74.997 65.047 1.00 7.21 ? CG TYR A 442 1 -ATOM 3376 C CD1 . TYR A 1 442 . 9.504 73.889 65.567 1.00 5.33 ? CD1 TYR A 442 1 -ATOM 3377 C CD2 . TYR A 1 442 . 9.715 76.291 65.292 1.00 2 ? CD2 TYR A 442 1 -ATOM 3378 C CE1 . TYR A 1 442 . 8.320 74.070 66.286 1.00 2 ? CE1 TYR A 442 1 -ATOM 3379 C CE2 . TYR A 1 442 . 8.531 76.476 66.001 1.00 2 ? CE2 TYR A 442 1 -ATOM 3380 C CZ . TYR A 1 442 . 7.836 75.369 66.490 1.00 4.13 ? CZ TYR A 442 1 -ATOM 3381 O OH . TYR A 1 442 . 6.660 75.593 67.164 1.00 13.11 ? OH TYR A 442 1 -ATOM 3382 N N . GLU A 1 443 . 11.519 74.358 60.342 1.00 15.74 ? N GLU A 443 1 -ATOM 3383 C CA . GLU A 1 443 . 12.072 74.942 59.086 1.00 7.98 ? CA GLU A 443 1 -ATOM 3384 C C . GLU A 1 443 . 10.944 75.473 58.230 1.00 5.61 ? C GLU A 443 1 -ATOM 3385 O O . GLU A 1 443 . 11.091 76.316 57.364 1.00 7.19 ? O GLU A 443 1 -ATOM 3386 C CB . GLU A 1 443 . 12.889 73.972 58.219 1.00 9.6 ? CB GLU A 443 1 -ATOM 3387 C CG . GLU A 1 443 . 12.093 72.991 57.312 1.00 7.55 ? CG GLU A 443 1 -ATOM 3388 C CD . GLU A 1 443 . 11.196 72.053 58.088 1.00 6.46 ? CD GLU A 443 1 -ATOM 3389 O OE1 . GLU A 1 443 . 11.514 71.797 59.235 1.00 8.12 ? OE1 GLU A 443 1 -ATOM 3390 O OE2 . GLU A 1 443 . 10.196 71.582 57.551 1.00 6.22 ? OE2 GLU A 443 1 -ATOM 3391 N N . ILE A 1 444 . 9.757 74.944 58.494 1.00 3.67 ? N ILE A 444 1 -ATOM 3392 C CA . ILE A 1 444 . 8.602 75.371 57.745 1.00 2.76 ? CA ILE A 444 1 -ATOM 3393 C C . ILE A 1 444 . 8.391 76.890 57.829 1.00 6.05 ? C ILE A 444 1 -ATOM 3394 O O . ILE A 1 444 . 7.849 77.504 56.938 1.00 9.34 ? O ILE A 444 1 -ATOM 3395 C CB . ILE A 1 444 . 7.359 74.564 58.209 1.00 2 ? CB ILE A 444 1 -ATOM 3396 C CG1 . ILE A 1 444 . 7.604 73.028 58.241 1.00 5.67 ? CG1 ILE A 444 1 -ATOM 3397 C CG2 . ILE A 1 444 . 6.150 74.919 57.348 1.00 3.61 ? CG2 ILE A 444 1 -ATOM 3398 C CD1 . ILE A 1 444 . 6.379 72.173 58.631 1.00 2 ? CD1 ILE A 444 1 -ATOM 3399 N N . GLU A 1 445 . 8.840 77.540 58.906 1.00 16.65 ? N GLU A 445 1 -ATOM 3400 C CA . GLU A 1 445 . 8.601 78.992 58.980 1.00 17.1 ? CA GLU A 445 1 -ATOM 3401 C C . GLU A 1 445 . 9.356 79.694 57.924 1.00 14.25 ? C GLU A 445 1 -ATOM 3402 O O . GLU A 1 445 . 8.937 80.729 57.438 1.00 8.96 ? O GLU A 445 1 -ATOM 3403 C CB . GLU A 1 445 . 9.088 79.671 60.292 1.00 24.89 ? CB GLU A 445 1 -ATOM 3404 C CG . GLU A 1 445 . 8.687 78.932 61.563 1.00 25.68 ? CG GLU A 445 1 -ATOM 3405 C CD . GLU A 1 445 . 9.181 79.521 62.848 1.00 31.64 ? CD GLU A 445 1 -ATOM 3406 O OE1 . GLU A 1 445 . 10.321 79.998 62.881 1.00 28.92 ? OE1 GLU A 445 1 -ATOM 3407 O OE2 . GLU A 1 445 . 8.421 79.476 63.819 1.00 35.91 ? OE2 GLU A 445 1 -ATOM 3408 N N . PHE A 1 446 . 10.512 79.084 57.639 1.00 14.43 ? N PHE A 446 1 -ATOM 3409 C CA . PHE A 1 446 . 11.436 79.601 56.650 1.00 17.47 ? CA PHE A 446 1 -ATOM 3410 C C . PHE A 1 446 . 10.935 79.364 55.231 1.00 17.92 ? C PHE A 446 1 -ATOM 3411 O O . PHE A 1 446 . 10.854 80.285 54.429 1.00 17.24 ? O PHE A 446 1 -ATOM 3412 C CB . PHE A 1 446 . 12.841 79.006 56.892 1.00 14.25 ? CB PHE A 446 1 -ATOM 3413 C CG . PHE A 1 446 . 13.479 79.696 58.073 1.00 18.46 ? CG PHE A 446 1 -ATOM 3414 C CD1 . PHE A 1 446 . 13.109 79.356 59.382 1.00 21.45 ? CD1 PHE A 446 1 -ATOM 3415 C CD2 . PHE A 1 446 . 14.397 80.744 57.865 1.00 17.73 ? CD2 PHE A 446 1 -ATOM 3416 C CE1 . PHE A 1 446 . 13.632 80.089 60.462 1.00 25.35 ? CE1 PHE A 446 1 -ATOM 3417 C CE2 . PHE A 1 446 . 14.922 81.463 58.941 1.00 16.63 ? CE2 PHE A 446 1 -ATOM 3418 C CZ . PHE A 1 446 . 14.533 81.146 60.246 1.00 17.92 ? CZ PHE A 446 1 -ATOM 3419 N N . VAL A 1 447 . 10.587 78.103 54.953 1.00 15.23 ? N VAL A 447 1 -ATOM 3420 C CA . VAL A 1 447 . 10.097 77.751 53.637 1.00 11.34 ? CA VAL A 447 1 -ATOM 3421 C C . VAL A 1 447 . 8.867 78.578 53.236 1.00 13.43 ? C VAL A 447 1 -ATOM 3422 O O . VAL A 1 447 . 8.675 78.844 52.058 1.00 18.88 ? O VAL A 447 1 -ATOM 3423 C CB . VAL A 1 447 . 9.843 76.228 53.599 1.00 9.38 ? CB VAL A 447 1 -ATOM 3424 C CG1 . VAL A 1 447 . 9.027 75.750 52.392 1.00 4.32 ? CG1 VAL A 447 1 -ATOM 3425 C CG2 . VAL A 1 447 . 11.168 75.435 53.691 1.00 3.9 ? CG2 VAL A 447 1 -ATOM 3426 N N . PHE A 1 448 . 8.042 78.981 54.207 1.00 4.53 ? N PHE A 448 1 -ATOM 3427 C CA . PHE A 1 448 . 6.869 79.755 53.840 1.00 3.52 ? CA PHE A 448 1 -ATOM 3428 C C . PHE A 1 448 . 7.071 81.254 53.952 1.00 7.21 ? C PHE A 448 1 -ATOM 3429 O O . PHE A 1 448 . 6.141 82.041 53.829 1.00 10.21 ? O PHE A 448 1 -ATOM 3430 C CB . PHE A 1 448 . 5.622 79.283 54.591 1.00 3.13 ? CB PHE A 448 1 -ATOM 3431 C CG . PHE A 1 448 . 4.956 78.088 53.952 1.00 3.83 ? CG PHE A 448 1 -ATOM 3432 C CD1 . PHE A 1 448 . 5.567 76.827 53.991 1.00 2.43 ? CD1 PHE A 448 1 -ATOM 3433 C CD2 . PHE A 1 448 . 3.705 78.237 53.307 1.00 6.22 ? CD2 PHE A 448 1 -ATOM 3434 C CE1 . PHE A 1 448 . 4.929 75.722 53.393 1.00 9.88 ? CE1 PHE A 448 1 -ATOM 3435 C CE2 . PHE A 1 448 . 3.070 77.138 52.709 1.00 5.13 ? CE2 PHE A 448 1 -ATOM 3436 C CZ . PHE A 1 448 . 3.685 75.876 52.751 1.00 8.76 ? CZ PHE A 448 1 -ATOM 3437 N N . GLY A 1 449 . 8.302 81.669 54.212 1.00 12.35 ? N GLY A 449 1 -ATOM 3438 C CA . GLY A 1 449 . 8.601 83.113 54.262 1.00 19.06 ? CA GLY A 449 1 -ATOM 3439 C C . GLY A 1 449 . 8.035 83.979 55.378 1.00 22.16 ? C GLY A 449 1 -ATOM 3440 O O . GLY A 1 449 . 7.885 85.192 55.224 1.00 23.38 ? O GLY A 449 1 -ATOM 3441 N N . LEU A 1 450 . 7.735 83.363 56.538 1.00 23.86 ? N LEU A 450 1 -ATOM 3442 C CA . LEU A 1 450 . 7.219 84.190 57.634 1.00 20.32 ? CA LEU A 450 1 -ATOM 3443 C C . LEU A 1 450 . 8.256 85.211 58.121 1.00 17.7 ? C LEU A 450 1 -ATOM 3444 O O . LEU A 1 450 . 7.883 86.310 58.488 1.00 16.68 ? O LEU A 450 1 -ATOM 3445 C CB . LEU A 1 450 . 6.676 83.381 58.824 1.00 18.87 ? CB LEU A 450 1 -ATOM 3446 C CG . LEU A 1 450 . 5.459 82.475 58.544 1.00 19.02 ? CG LEU A 450 1 -ATOM 3447 C CD1 . LEU A 1 450 . 4.479 82.480 59.723 1.00 23.46 ? CD1 LEU A 450 1 -ATOM 3448 C CD2 . LEU A 1 450 . 4.688 82.824 57.271 1.00 23.14 ? CD2 LEU A 450 1 -ATOM 3449 N N . PRO A 1 451 . 9.564 84.906 58.111 1.00 16.06 ? N PRO A 451 1 -ATOM 3450 C CA . PRO A 1 451 . 10.523 85.973 58.367 1.00 20.2 ? CA PRO A 451 1 -ATOM 3451 C C . PRO A 1 451 . 10.389 87.265 57.568 1.00 25.32 ? C PRO A 451 1 -ATOM 3452 O O . PRO A 1 451 . 10.988 88.278 57.919 1.00 30.73 ? O PRO A 451 1 -ATOM 3453 C CB . PRO A 1 451 . 11.898 85.312 58.167 1.00 16.42 ? CB PRO A 451 1 -ATOM 3454 C CG . PRO A 1 451 . 11.663 83.804 58.374 1.00 13.92 ? CG PRO A 451 1 -ATOM 3455 C CD . PRO A 1 451 . 10.182 83.586 58.012 1.00 15.33 ? CD PRO A 451 1 -ATOM 3456 N N . LEU A 1 452 . 9.636 87.218 56.456 1.00 30.14 ? N LEU A 452 1 -ATOM 3457 C CA . LEU A 1 452 . 9.477 88.436 55.666 1.00 31.12 ? CA LEU A 452 1 -ATOM 3458 C C . LEU A 1 452 . 8.561 89.402 56.374 1.00 32.76 ? C LEU A 452 1 -ATOM 3459 O O . LEU A 1 452 . 8.601 90.608 56.162 1.00 34.65 ? O LEU A 452 1 -ATOM 3460 C CB . LEU A 1 452 . 8.945 88.149 54.262 1.00 28.34 ? CB LEU A 452 1 -ATOM 3461 C CG . LEU A 1 452 . 9.855 87.242 53.419 1.00 25.04 ? CG LEU A 452 1 -ATOM 3462 C CD1 . LEU A 1 452 . 9.640 87.572 51.947 1.00 29.84 ? CD1 LEU A 452 1 -ATOM 3463 C CD2 . LEU A 1 452 . 11.347 87.363 53.738 1.00 21.13 ? CD2 LEU A 452 1 -ATOM 3464 N N . VAL A 1 453 . 7.715 88.831 57.230 1.00 33.5 ? N VAL A 453 1 -ATOM 3465 C CA . VAL A 1 453 . 6.785 89.616 58.003 1.00 35.18 ? CA VAL A 453 1 -ATOM 3466 C C . VAL A 1 453 . 7.585 90.214 59.143 1.00 37.58 ? C VAL A 453 1 -ATOM 3467 O O . VAL A 1 453 . 7.915 89.555 60.116 1.00 41.33 ? O VAL A 453 1 -ATOM 3468 C CB . VAL A 1 453 . 5.670 88.683 58.497 1.00 33.52 ? CB VAL A 453 1 -ATOM 3469 C CG1 . VAL A 1 453 . 4.555 89.448 59.213 1.00 36.53 ? CG1 VAL A 453 1 -ATOM 3470 C CG2 . VAL A 1 453 . 5.056 87.869 57.338 1.00 35.81 ? CG2 VAL A 453 1 -ATOM 3471 N N . LYS A 1 454 . 7.877 91.503 59.035 1.00 42.92 ? N LYS A 454 1 -ATOM 3472 C CA . LYS A 1 454 . 8.669 92.165 60.076 1.00 47.9 ? CA LYS A 454 1 -ATOM 3473 C C . LYS A 1 454 . 8.020 92.125 61.467 1.00 47.66 ? C LYS A 454 1 -ATOM 3474 O O . LYS A 1 454 . 8.691 92.052 62.489 1.00 47.79 ? O LYS A 454 1 -ATOM 3475 C CB . LYS A 1 454 . 9.056 93.591 59.627 1.00 51.97 ? CB LYS A 454 1 -ATOM 3476 C CG . LYS A 1 454 . 9.627 93.678 58.174 1.00 61.84 ? CG LYS A 454 1 -ATOM 3477 C CD . LYS A 1 454 . 11.067 93.135 57.962 1.00 65.28 ? CD LYS A 454 1 -ATOM 3478 C CE . LYS A 1 454 . 11.212 91.600 57.792 1.00 69.26 ? CE LYS A 454 1 -ATOM 3479 N NZ . LYS A 1 454 . 12.612 91.209 57.883 1.00 74.01 ? NZ LYS A 454 1 -ATOM 3480 N N . GLU A 1 455 . 6.675 92.124 61.481 1.00 45.37 ? N GLU A 455 1 -ATOM 3481 C CA . GLU A 1 455 . 5.960 92.071 62.763 1.00 38.25 ? CA GLU A 455 1 -ATOM 3482 C C . GLU A 1 455 . 6.248 90.803 63.540 1.00 35.88 ? C GLU A 455 1 -ATOM 3483 O O . GLU A 1 455 . 5.957 90.725 64.719 1.00 37.11 ? O GLU A 455 1 -ATOM 3484 C CB . GLU A 1 455 . 4.420 92.127 62.657 1.00 37.95 ? CB GLU A 455 1 -ATOM 3485 N N . LEU A 1 456 . 6.810 89.791 62.886 1.00 31.87 ? N LEU A 456 1 -ATOM 3486 C CA . LEU A 1 456 . 7.071 88.568 63.621 1.00 30.7 ? CA LEU A 456 1 -ATOM 3487 C C . LEU A 1 456 . 8.401 88.558 64.368 1.00 32.17 ? C LEU A 456 1 -ATOM 3488 O O . LEU A 1 456 . 8.719 87.593 65.061 1.00 30.98 ? O LEU A 456 1 -ATOM 3489 C CB . LEU A 1 456 . 6.879 87.370 62.708 1.00 30.84 ? CB LEU A 456 1 -ATOM 3490 C CG . LEU A 1 456 . 5.485 87.371 62.068 1.00 31.62 ? CG LEU A 456 1 -ATOM 3491 C CD1 . LEU A 1 456 . 5.310 86.161 61.149 1.00 36.79 ? CD1 LEU A 456 1 -ATOM 3492 C CD2 . LEU A 1 456 . 4.328 87.460 63.076 1.00 27.13 ? CD2 LEU A 456 1 -ATOM 3493 N N . ASN A 1 457 . 9.185 89.624 64.218 1.00 31.39 ? N ASN A 457 1 -ATOM 3494 C CA . ASN A 1 457 . 10.453 89.752 64.958 1.00 35.14 ? CA ASN A 457 1 -ATOM 3495 C C . ASN A 1 457 . 11.590 88.804 64.619 1.00 32.17 ? C ASN A 457 1 -ATOM 3496 O O . ASN A 1 457 . 12.171 88.197 65.517 1.00 32 ? O ASN A 457 1 -ATOM 3497 C CB . ASN A 1 457 . 10.273 89.624 66.508 1.00 43.52 ? CB ASN A 457 1 -ATOM 3498 C CG . ASN A 1 457 . 9.348 90.650 67.137 1.00 49.23 ? CG ASN A 457 1 -ATOM 3499 O OD1 . ASN A 1 457 . 9.710 91.802 67.325 1.00 54.33 ? OD1 ASN A 457 1 -ATOM 3500 N ND2 . ASN A 1 457 . 8.133 90.219 67.469 1.00 51.9 ? ND2 ASN A 457 1 -ATOM 3501 N N . TYR A 1 458 . 11.913 88.633 63.338 1.00 28.42 ? N TYR A 458 1 -ATOM 3502 C CA . TYR A 1 458 . 13.045 87.738 63.059 1.00 25.04 ? CA TYR A 458 1 -ATOM 3503 C C . TYR A 1 458 . 14.182 88.661 62.723 1.00 24.07 ? C TYR A 458 1 -ATOM 3504 O O . TYR A 1 458 . 13.974 89.827 62.420 1.00 25.65 ? O TYR A 458 1 -ATOM 3505 C CB . TYR A 1 458 . 12.794 86.785 61.881 1.00 20 ? CB TYR A 458 1 -ATOM 3506 C CG . TYR A 1 458 . 11.774 85.705 62.144 1.00 15.51 ? CG TYR A 458 1 -ATOM 3507 C CD1 . TYR A 1 458 . 10.402 85.989 61.988 1.00 15.4 ? CD1 TYR A 458 1 -ATOM 3508 C CD2 . TYR A 1 458 . 12.175 84.390 62.453 1.00 12.32 ? CD2 TYR A 458 1 -ATOM 3509 C CE1 . TYR A 1 458 . 9.447 84.962 62.057 1.00 11.67 ? CE1 TYR A 458 1 -ATOM 3510 C CE2 . TYR A 1 458 . 11.221 83.364 62.531 1.00 12.05 ? CE2 TYR A 458 1 -ATOM 3511 C CZ . TYR A 1 458 . 9.861 83.644 62.307 1.00 12.36 ? CZ TYR A 458 1 -ATOM 3512 O OH . TYR A 1 458 . 8.926 82.623 62.289 1.00 16.52 ? OH TYR A 458 1 -ATOM 3513 N N . THR A 1 459 . 15.397 88.146 62.764 1.00 25.51 ? N THR A 459 1 -ATOM 3514 C CA . THR A 1 459 . 16.491 89.042 62.421 1.00 30.49 ? CA THR A 459 1 -ATOM 3515 C C . THR A 1 459 . 16.556 89.189 60.907 1.00 34.22 ? C THR A 459 1 -ATOM 3516 O O . THR A 1 459 . 16.074 88.354 60.138 1.00 38.2 ? O THR A 459 1 -ATOM 3517 C CB . THR A 1 459 . 17.828 88.505 62.978 1.00 31.63 ? CB THR A 459 1 -ATOM 3518 O OG1 . THR A 1 459 . 18.006 87.127 62.639 1.00 32.54 ? OG1 THR A 459 1 -ATOM 3519 C CG2 . THR A 1 459 . 17.895 88.568 64.503 1.00 37.27 ? CG2 THR A 459 1 -ATOM 3520 N N . ALA A 1 460 . 17.256 90.250 60.485 1.00 35.28 ? N ALA A 460 1 -ATOM 3521 C CA . ALA A 1 460 . 17.392 90.463 59.049 1.00 31.19 ? CA ALA A 460 1 -ATOM 3522 C C . ALA A 1 460 . 18.147 89.318 58.423 1.00 31 ? C ALA A 460 1 -ATOM 3523 O O . ALA A 1 460 . 17.868 88.901 57.311 1.00 36.66 ? O ALA A 460 1 -ATOM 3524 C CB . ALA A 1 460 . 18.138 91.756 58.740 1.00 31.44 ? CB ALA A 460 1 -ATOM 3525 N N . GLU A 1 461 . 19.120 88.794 59.182 1.00 26.39 ? N GLU A 461 1 -ATOM 3526 C CA . GLU A 1 461 . 19.890 87.674 58.654 1.00 23.78 ? CA GLU A 461 1 -ATOM 3527 C C . GLU A 1 461 . 18.974 86.461 58.393 1.00 23.06 ? C GLU A 461 1 -ATOM 3528 O O . GLU A 1 461 . 19.246 85.601 57.572 1.00 26.98 ? O GLU A 461 1 -ATOM 3529 C CB . GLU A 1 461 . 21.064 87.271 59.585 1.00 25.76 ? CB GLU A 461 1 -ATOM 3530 C CG . GLU A 1 461 . 21.864 88.405 60.275 1.00 31.33 ? CG GLU A 461 1 -ATOM 3531 N N . GLU A 1 462 . 17.866 86.374 59.133 1.00 22.8 ? N GLU A 462 1 -ATOM 3532 C CA . GLU A 1 462 . 16.933 85.262 58.938 1.00 22.36 ? CA GLU A 462 1 -ATOM 3533 C C . GLU A 1 462 . 16.067 85.557 57.749 1.00 23.82 ? C GLU A 462 1 -ATOM 3534 O O . GLU A 1 462 . 15.620 84.657 57.053 1.00 26.24 ? O GLU A 462 1 -ATOM 3535 C CB . GLU A 1 462 . 16.067 85.018 60.182 1.00 19.23 ? CB GLU A 462 1 -ATOM 3536 C CG . GLU A 1 462 . 16.911 84.411 61.317 1.00 16.08 ? CG GLU A 462 1 -ATOM 3537 C CD . GLU A 1 462 . 16.242 84.428 62.681 1.00 16.57 ? CD GLU A 462 1 -ATOM 3538 O OE1 . GLU A 1 462 . 15.343 85.249 62.900 1.00 10.48 ? OE1 GLU A 462 1 -ATOM 3539 O OE2 . GLU A 1 462 . 16.636 83.613 63.518 1.00 6.73 ? OE2 GLU A 462 1 -ATOM 3540 N N . GLU A 1 463 . 15.804 86.853 57.519 1.00 26.21 ? N GLU A 463 1 -ATOM 3541 C CA . GLU A 1 463 . 15.000 87.209 56.343 1.00 27.74 ? CA GLU A 463 1 -ATOM 3542 C C . GLU A 1 463 . 15.748 86.741 55.097 1.00 24.31 ? C GLU A 463 1 -ATOM 3543 O O . GLU A 1 463 . 15.214 86.181 54.152 1.00 23.26 ? O GLU A 463 1 -ATOM 3544 C CB . GLU A 1 463 . 14.741 88.720 56.214 1.00 33.13 ? CB GLU A 463 1 -ATOM 3545 C CG . GLU A 1 463 . 13.667 88.991 55.142 1.00 43.02 ? CG GLU A 463 1 -ATOM 3546 C CD . GLU A 1 463 . 13.678 90.403 54.567 1.00 49.44 ? CD GLU A 463 1 -ATOM 3547 O OE1 . GLU A 1 463 . 14.724 90.820 54.065 1.00 55.82 ? OE1 GLU A 463 1 -ATOM 3548 O OE2 . GLU A 1 463 . 12.639 91.071 54.602 1.00 52.07 ? OE2 GLU A 463 1 -ATOM 3549 N N . ALA A 1 464 . 17.053 86.988 55.147 1.00 21.45 ? N ALA A 464 1 -ATOM 3550 C CA . ALA A 1 464 . 17.904 86.571 54.059 1.00 17.4 ? CA ALA A 464 1 -ATOM 3551 C C . ALA A 1 464 . 17.806 85.072 53.872 1.00 16.84 ? C ALA A 464 1 -ATOM 3552 O O . ALA A 1 464 . 17.625 84.578 52.772 1.00 23.96 ? O ALA A 464 1 -ATOM 3553 C CB . ALA A 1 464 . 19.359 86.947 54.361 1.00 18 ? CB ALA A 464 1 -ATOM 3554 N N . LEU A 1 465 . 17.917 84.353 54.990 1.00 14.92 ? N LEU A 465 1 -ATOM 3555 C CA . LEU A 1 465 . 17.840 82.901 54.957 1.00 11.99 ? CA LEU A 465 1 -ATOM 3556 C C . LEU A 1 465 . 16.538 82.392 54.346 1.00 13.91 ? C LEU A 465 1 -ATOM 3557 O O . LEU A 1 465 . 16.581 81.508 53.502 1.00 14.21 ? O LEU A 465 1 -ATOM 3558 C CB . LEU A 1 465 . 18.063 82.291 56.357 1.00 10.67 ? CB LEU A 465 1 -ATOM 3559 C CG . LEU A 1 465 . 18.192 80.753 56.381 1.00 11.62 ? CG LEU A 465 1 -ATOM 3560 C CD1 . LEU A 1 465 . 19.344 80.255 55.509 1.00 19.35 ? CD1 LEU A 465 1 -ATOM 3561 C CD2 . LEU A 1 465 . 18.403 80.203 57.788 1.00 11.16 ? CD2 LEU A 465 1 -ATOM 3562 N N . SER A 1 466 . 15.367 82.933 54.737 1.00 12.62 ? N SER A 466 1 -ATOM 3563 C CA . SER A 1 466 . 14.166 82.366 54.110 1.00 17.34 ? CA SER A 466 1 -ATOM 3564 C C . SER A 1 466 . 14.102 82.694 52.637 1.00 22.63 ? C SER A 466 1 -ATOM 3565 O O . SER A 1 466 . 13.545 81.933 51.858 1.00 26.36 ? O SER A 466 1 -ATOM 3566 C CB . SER A 1 466 . 12.832 82.685 54.780 1.00 14.63 ? CB SER A 466 1 -ATOM 3567 O OG . SER A 1 466 . 12.762 84.077 55.007 1.00 25.19 ? OG SER A 466 1 -ATOM 3568 N N . ARG A 1 467 . 14.675 83.836 52.233 1.00 22.38 ? N ARG A 467 1 -ATOM 3569 C CA . ARG A 1 467 . 14.612 84.090 50.803 1.00 20.89 ? CA ARG A 467 1 -ATOM 3570 C C . ARG A 1 467 . 15.467 83.065 50.051 1.00 20.9 ? C ARG A 467 1 -ATOM 3571 O O . ARG A 1 467 . 15.126 82.650 48.949 1.00 22.37 ? O ARG A 467 1 -ATOM 3572 C CB . ARG A 1 467 . 15.008 85.515 50.486 1.00 20.62 ? CB ARG A 467 1 -ATOM 3573 C CG . ARG A 1 467 . 14.021 86.543 51.059 1.00 24.03 ? CG ARG A 467 1 -ATOM 3574 C CD . ARG A 1 467 . 14.477 87.965 50.698 1.00 29.71 ? CD ARG A 467 1 -ATOM 3575 N NE . ARG A 1 467 . 13.686 88.998 51.343 1.00 34.93 ? NE ARG A 467 1 -ATOM 3576 C CZ . ARG A 1 467 . 12.560 89.506 50.812 1.00 36.36 ? CZ ARG A 467 1 -ATOM 3577 N NH1 . ARG A 1 467 . 12.048 89.034 49.678 1.00 36.65 ? NH1 ARG A 467 1 -ATOM 3578 N NH2 . ARG A 1 467 . 11.944 90.507 51.441 1.00 40.08 ? NH2 ARG A 467 1 -ATOM 3579 N N . ARG A 1 468 . 16.576 82.636 50.669 1.00 17.65 ? N ARG A 468 1 -ATOM 3580 C CA . ARG A 1 468 . 17.387 81.648 49.973 1.00 19.11 ? CA ARG A 468 1 -ATOM 3581 C C . ARG A 1 468 . 16.678 80.334 49.900 1.00 20.33 ? C ARG A 468 1 -ATOM 3582 O O . ARG A 1 468 . 16.709 79.626 48.903 1.00 22.41 ? O ARG A 468 1 -ATOM 3583 C CB . ARG A 1 468 . 18.738 81.360 50.640 1.00 18.67 ? CB ARG A 468 1 -ATOM 3584 C CG . ARG A 1 468 . 19.467 82.632 51.088 1.00 28.44 ? CG ARG A 468 1 -ATOM 3585 C CD . ARG A 1 468 . 21.002 82.519 51.106 1.00 34.04 ? CD ARG A 468 1 -ATOM 3586 N NE . ARG A 1 468 . 21.519 81.658 52.167 1.00 40.98 ? NE ARG A 468 1 -ATOM 3587 C CZ . ARG A 1 468 . 21.745 80.345 51.975 1.00 44.67 ? CZ ARG A 468 1 -ATOM 3588 N NH1 . ARG A 1 468 . 21.341 79.745 50.866 1.00 46.16 ? NH1 ARG A 468 1 -ATOM 3589 N NH2 . ARG A 1 468 . 22.383 79.621 52.895 1.00 46.32 ? NH2 ARG A 468 1 -ATOM 3590 N N . ILE A 1 469 . 16.030 80.025 51.022 1.00 20.68 ? N ILE A 469 1 -ATOM 3591 C CA . ILE A 1 469 . 15.311 78.769 51.105 1.00 19.33 ? CA ILE A 469 1 -ATOM 3592 C C . ILE A 1 469 . 14.193 78.758 50.084 1.00 19.36 ? C ILE A 469 1 -ATOM 3593 O O . ILE A 1 469 . 14.060 77.842 49.284 1.00 23.77 ? O ILE A 469 1 -ATOM 3594 C CB . ILE A 1 469 . 14.783 78.529 52.537 1.00 17.87 ? CB ILE A 469 1 -ATOM 3595 C CG1 . ILE A 1 469 . 15.877 78.713 53.626 1.00 17.95 ? CG1 ILE A 469 1 -ATOM 3596 C CG2 . ILE A 1 469 . 14.077 77.177 52.658 1.00 17.95 ? CG2 ILE A 469 1 -ATOM 3597 C CD1 . ILE A 1 469 . 16.398 77.436 54.273 1.00 10.76 ? CD1 ILE A 469 1 -ATOM 3598 N N . MET A 1 470 . 13.390 79.821 50.110 1.00 16.41 ? N MET A 470 1 -ATOM 3599 C CA . MET A 1 470 . 12.270 79.928 49.189 1.00 16.31 ? CA MET A 470 1 -ATOM 3600 C C . MET A 1 470 . 12.703 79.892 47.736 1.00 16.06 ? C MET A 470 1 -ATOM 3601 O O . MET A 1 470 . 11.992 79.431 46.852 1.00 13.24 ? O MET A 470 1 -ATOM 3602 C CB . MET A 1 470 . 11.493 81.220 49.444 1.00 14.61 ? CB MET A 470 1 -ATOM 3603 C CG . MET A 1 470 . 10.687 81.174 50.737 1.00 15.84 ? CG MET A 470 1 -ATOM 3604 S SD . MET A 1 470 . 9.476 82.526 50.688 1.00 15.15 ? SD MET A 470 1 -ATOM 3605 C CE . MET A 1 470 . 10.636 83.920 50.863 1.00 15.78 ? CE MET A 470 1 -ATOM 3606 N N . HIS A 1 471 . 13.896 80.417 47.493 1.00 17.2 ? N HIS A 471 1 -ATOM 3607 C CA . HIS A 1 471 . 14.352 80.401 46.118 1.00 21.69 ? CA HIS A 471 1 -ATOM 3608 C C . HIS A 1 471 . 14.757 78.995 45.748 1.00 20.45 ? C HIS A 471 1 -ATOM 3609 O O . HIS A 1 471 . 14.348 78.472 44.731 1.00 20.2 ? O HIS A 471 1 -ATOM 3610 C CB . HIS A 1 471 . 15.475 81.429 45.913 1.00 29.47 ? CB HIS A 471 1 -ATOM 3611 C CG . HIS A 1 471 . 15.657 81.781 44.446 1.00 33.27 ? CG HIS A 471 1 -ATOM 3612 N ND1 . HIS A 1 471 . 14.668 82.211 43.634 1.00 33.46 ? ND1 HIS A 471 1 -ATOM 3613 C CD2 . HIS A 1 471 . 16.854 81.743 43.693 1.00 34.65 ? CD2 HIS A 471 1 -ATOM 3614 C CE1 . HIS A 1 471 . 15.227 82.430 42.433 1.00 37.54 ? CE1 HIS A 471 1 -ATOM 3615 N NE2 . HIS A 1 471 . 16.548 82.159 42.446 1.00 37.05 ? NE2 HIS A 471 1 -ATOM 3616 N N . TYR A 1 472 . 15.524 78.353 46.625 1.00 21.14 ? N TYR A 472 1 -ATOM 3617 C CA . TYR A 1 472 . 15.949 76.982 46.342 1.00 19.71 ? CA TYR A 472 1 -ATOM 3618 C C . TYR A 1 472 . 14.750 76.076 46.083 1.00 20.98 ? C TYR A 472 1 -ATOM 3619 O O . TYR A 1 472 . 14.714 75.220 45.206 1.00 22.37 ? O TYR A 472 1 -ATOM 3620 C CB . TYR A 1 472 . 16.667 76.379 47.569 1.00 20.34 ? CB TYR A 472 1 -ATOM 3621 C CG . TYR A 1 472 . 18.070 76.843 47.860 1.00 23.95 ? CG TYR A 472 1 -ATOM 3622 C CD1 . TYR A 1 472 . 18.992 77.017 46.826 1.00 24.9 ? CD1 TYR A 472 1 -ATOM 3623 C CD2 . TYR A 1 472 . 18.484 77.038 49.186 1.00 26.94 ? CD2 TYR A 472 1 -ATOM 3624 C CE1 . TYR A 1 472 . 20.319 77.345 47.103 1.00 26.1 ? CE1 TYR A 472 1 -ATOM 3625 C CE2 . TYR A 1 472 . 19.814 77.368 49.468 1.00 30.01 ? CE2 TYR A 472 1 -ATOM 3626 C CZ . TYR A 1 472 . 20.740 77.515 48.424 1.00 30.84 ? CZ TYR A 472 1 -ATOM 3627 O OH . TYR A 1 472 . 22.066 77.823 48.690 1.00 36.97 ? OH TYR A 472 1 -ATOM 3628 N N . TRP A 1 473 . 13.744 76.283 46.923 1.00 18.72 ? N TRP A 473 1 -ATOM 3629 C CA . TRP A 1 473 . 12.550 75.483 46.804 1.00 20.3 ? CA TRP A 473 1 -ATOM 3630 C C . TRP A 1 473 . 11.855 75.781 45.475 1.00 20.82 ? C TRP A 473 1 -ATOM 3631 O O . TRP A 1 473 . 11.469 74.865 44.757 1.00 22.52 ? O TRP A 473 1 -ATOM 3632 C CB . TRP A 1 473 . 11.611 75.704 48.027 1.00 17.97 ? CB TRP A 473 1 -ATOM 3633 C CG . TRP A 1 473 . 11.772 74.677 49.157 1.00 18.66 ? CG TRP A 473 1 -ATOM 3634 C CD1 . TRP A 1 473 . 10.715 73.896 49.684 1.00 15 ? CD1 TRP A 473 1 -ATOM 3635 C CD2 . TRP A 1 473 . 12.930 74.304 49.885 1.00 16.88 ? CD2 TRP A 473 1 -ATOM 3636 N NE1 . TRP A 1 473 . 11.154 73.078 50.675 1.00 14.33 ? NE1 TRP A 473 1 -ATOM 3637 C CE2 . TRP A 1 473 . 12.501 73.272 50.857 1.00 13.46 ? CE2 TRP A 473 1 -ATOM 3638 C CE3 . TRP A 1 473 . 14.272 74.684 49.864 1.00 18.34 ? CE3 TRP A 473 1 -ATOM 3639 C CZ2 . TRP A 1 473 . 13.458 72.703 51.715 1.00 10.94 ? CZ2 TRP A 473 1 -ATOM 3640 C CZ3 . TRP A 1 473 . 15.204 74.093 50.741 1.00 15.94 ? CZ3 TRP A 473 1 -ATOM 3641 C CH2 . TRP A 1 473 . 14.797 73.118 51.659 1.00 13.44 ? CH2 TRP A 473 1 -ATOM 3642 N N . ALA A 1 474 . 11.725 77.080 45.143 1.00 18.06 ? N ALA A 474 1 -ATOM 3643 C CA . ALA A 1 474 . 11.038 77.443 43.897 1.00 12.46 ? CA ALA A 474 1 -ATOM 3644 C C . ALA A 1 474 . 11.815 76.997 42.682 1.00 10.86 ? C ALA A 474 1 -ATOM 3645 O O . ALA A 1 474 . 11.290 76.292 41.835 1.00 13.28 ? O ALA A 474 1 -ATOM 3646 C CB . ALA A 1 474 . 10.740 78.933 43.835 1.00 11.11 ? CB ALA A 474 1 -ATOM 3647 N N . THR A 1 475 . 13.074 77.399 42.593 1.00 7.89 ? N THR A 475 1 -ATOM 3648 C CA . THR A 1 475 . 13.950 77.014 41.495 1.00 9.64 ? CA THR A 475 1 -ATOM 3649 C C . THR A 1 475 . 14.029 75.501 41.324 1.00 12.78 ? C THR A 475 1 -ATOM 3650 O O . THR A 1 475 . 14.080 74.974 40.219 1.00 12.13 ? O THR A 475 1 -ATOM 3651 C CB . THR A 1 475 . 15.327 77.597 41.792 1.00 7.84 ? CB THR A 475 1 -ATOM 3652 O OG1 . THR A 1 475 . 15.073 78.985 41.895 1.00 11.47 ? OG1 THR A 475 1 -ATOM 3653 C CG2 . THR A 1 475 . 16.398 77.356 40.722 1.00 6.36 ? CG2 THR A 475 1 -ATOM 3654 N N . PHE A 1 476 . 14.034 74.766 42.439 1.00 16.53 ? N PHE A 476 1 -ATOM 3655 C CA . PHE A 1 476 . 14.063 73.322 42.254 1.00 16.97 ? CA PHE A 476 1 -ATOM 3656 C C . PHE A 1 476 . 12.729 72.858 41.634 1.00 19.25 ? C PHE A 476 1 -ATOM 3657 O O . PHE A 1 476 . 12.684 71.957 40.806 1.00 20.45 ? O PHE A 476 1 -ATOM 3658 C CB . PHE A 1 476 . 14.322 72.604 43.592 1.00 14.69 ? CB PHE A 476 1 -ATOM 3659 C CG . PHE A 1 476 . 14.130 71.110 43.470 1.00 8.02 ? CG PHE A 476 1 -ATOM 3660 C CD1 . PHE A 1 476 . 15.191 70.290 43.041 1.00 8.4 ? CD1 PHE A 476 1 -ATOM 3661 C CD2 . PHE A 1 476 . 12.871 70.541 43.736 1.00 2 ? CD2 PHE A 476 1 -ATOM 3662 C CE1 . PHE A 1 476 . 14.993 68.913 42.870 1.00 8.04 ? CE1 PHE A 476 1 -ATOM 3663 C CE2 . PHE A 1 476 . 12.666 69.171 43.563 1.00 2 ? CE2 PHE A 476 1 -ATOM 3664 C CZ . PHE A 1 476 . 13.726 68.359 43.132 1.00 8.31 ? CZ PHE A 476 1 -ATOM 3665 N N . ALA A 1 477 . 11.641 73.498 42.056 1.00 19.29 ? N ALA A 477 1 -ATOM 3666 C CA . ALA A 1 477 . 10.344 73.088 41.528 1.00 23.33 ? CA ALA A 477 1 -ATOM 3667 C C . ALA A 1 477 . 10.208 73.333 40.055 1.00 25.47 ? C ALA A 477 1 -ATOM 3668 O O . ALA A 1 477 . 9.512 72.608 39.359 1.00 31.09 ? O ALA A 477 1 -ATOM 3669 C CB . ALA A 1 477 . 9.185 73.787 42.257 1.00 21.87 ? CB ALA A 477 1 -ATOM 3670 N N . LYS A 1 478 . 10.871 74.396 39.589 1.00 25.09 ? N LYS A 478 1 -ATOM 3671 C CA . LYS A 1 478 . 10.770 74.689 38.160 1.00 23.32 ? CA LYS A 478 1 -ATOM 3672 C C . LYS A 1 478 . 11.755 73.867 37.357 1.00 20.81 ? C LYS A 478 1 -ATOM 3673 O O . LYS A 1 478 . 11.423 73.053 36.521 1.00 26.35 ? O LYS A 478 1 -ATOM 3674 C CB . LYS A 1 478 . 11.013 76.172 37.858 1.00 24.55 ? CB LYS A 478 1 -ATOM 3675 C CG . LYS A 1 478 . 10.290 77.145 38.788 1.00 27.31 ? CG LYS A 478 1 -ATOM 3676 C CD . LYS A 1 478 . 10.070 78.487 38.068 1.00 36.59 ? CD LYS A 478 1 -ATOM 3677 N N . THR A 1 479 . 13.002 74.130 37.645 1.00 15.01 ? N THR A 479 1 -ATOM 3678 C CA . THR A 1 479 . 14.102 73.509 36.995 1.00 13.07 ? CA THR A 479 1 -ATOM 3679 C C . THR A 1 479 . 14.392 72.091 37.362 1.00 16.43 ? C THR A 479 1 -ATOM 3680 O O . THR A 1 479 . 14.615 71.263 36.499 1.00 22.36 ? O THR A 479 1 -ATOM 3681 C CB . THR A 1 479 . 15.332 74.313 37.420 1.00 13.16 ? CB THR A 479 1 -ATOM 3682 O OG1 . THR A 1 479 . 15.090 75.645 37.005 1.00 20.56 ? OG1 THR A 479 1 -ATOM 3683 C CG2 . THR A 1 479 . 16.670 73.866 36.836 1.00 19.93 ? CG2 THR A 479 1 -ATOM 3684 N N . GLY A 1 480 . 14.472 71.805 38.653 1.00 20.24 ? N GLY A 480 1 -ATOM 3685 C CA . GLY A 1 480 . 14.836 70.440 39.044 1.00 16.81 ? CA GLY A 480 1 -ATOM 3686 C C . GLY A 1 480 . 16.209 70.443 39.664 1.00 15.43 ? C GLY A 480 1 -ATOM 3687 O O . GLY A 1 480 . 16.827 69.429 39.964 1.00 16.07 ? O GLY A 480 1 -ATOM 3688 N N . ASN A 1 481 . 16.709 71.653 39.846 1.00 13.23 ? N ASN A 481 1 -ATOM 3689 C CA . ASN A 1 481 . 18.005 71.873 40.445 1.00 15.96 ? CA ASN A 481 1 -ATOM 3690 C C . ASN A 1 481 . 17.730 73.119 41.247 1.00 18.94 ? C ASN A 481 1 -ATOM 3691 O O . ASN A 1 481 . 17.024 73.960 40.705 1.00 22.56 ? O ASN A 481 1 -ATOM 3692 C CB . ASN A 1 481 . 19.029 72.126 39.349 1.00 17.9 ? CB ASN A 481 1 -ATOM 3693 C CG . ASN A 1 481 . 20.375 72.417 39.921 1.00 19.48 ? CG ASN A 481 1 -ATOM 3694 O OD1 . ASN A 1 481 . 20.513 73.084 40.924 1.00 25.74 ? OD1 ASN A 481 1 -ATOM 3695 N ND2 . ASN A 1 481 . 21.399 71.899 39.278 1.00 23.51 ? ND2 ASN A 481 1 -ATOM 3696 N N . PRO A 1 482 . 18.168 73.197 42.528 1.00 19.54 ? N PRO A 482 1 -ATOM 3697 C CA . PRO A 1 482 . 17.886 74.366 43.366 1.00 19.34 ? CA PRO A 482 1 -ATOM 3698 C C . PRO A 1 482 . 18.739 75.583 43.049 1.00 21.48 ? C PRO A 482 1 -ATOM 3699 O O . PRO A 1 482 . 18.451 76.700 43.465 1.00 21.62 ? O PRO A 482 1 -ATOM 3700 C CB . PRO A 1 482 . 18.230 73.874 44.785 1.00 18.08 ? CB PRO A 482 1 -ATOM 3701 C CG . PRO A 1 482 . 19.205 72.705 44.604 1.00 16.26 ? CG PRO A 482 1 -ATOM 3702 C CD . PRO A 1 482 . 18.867 72.121 43.238 1.00 17.03 ? CD PRO A 482 1 -ATOM 3703 N N . ASN A 1 483 . 19.846 75.327 42.358 1.00 23.18 ? N ASN A 483 1 -ATOM 3704 C CA . ASN A 1 483 . 20.779 76.374 41.991 1.00 25.35 ? CA ASN A 483 1 -ATOM 3705 C C . ASN A 1 483 . 20.437 77.083 40.708 1.00 29.38 ? C ASN A 483 1 -ATOM 3706 O O . ASN A 1 483 . 20.162 76.487 39.676 1.00 31.96 ? O ASN A 483 1 -ATOM 3707 C CB . ASN A 1 483 . 22.151 75.763 41.699 1.00 22.37 ? CB ASN A 483 1 -ATOM 3708 C CG . ASN A 1 483 . 22.794 75.294 42.960 1.00 25.4 ? CG ASN A 483 1 -ATOM 3709 O OD1 . ASN A 1 483 . 22.995 74.115 43.211 1.00 18.89 ? OD1 ASN A 483 1 -ATOM 3710 N ND2 . ASN A 1 483 . 23.130 76.288 43.791 1.00 27.5 ? ND2 ASN A 483 1 -ATOM 3711 N N . GLU A 1 484 . 20.466 78.424 40.773 1.00 34.07 ? N GLU A 484 1 -ATOM 3712 C CA . GLU A 1 484 . 20.242 79.176 39.540 1.00 37.82 ? CA GLU A 484 1 -ATOM 3713 C C . GLU A 1 484 . 21.578 78.951 38.851 1.00 44.5 ? C GLU A 484 1 -ATOM 3714 O O . GLU A 1 484 . 22.560 78.711 39.559 1.00 43.46 ? O GLU A 484 1 -ATOM 3715 C CB . GLU A 1 484 . 20.014 80.696 39.740 1.00 36.04 ? CB GLU A 484 1 -ATOM 3716 C CG . GLU A 1 484 . 18.511 81.037 39.875 1.00 34.11 ? CG GLU A 484 1 -ATOM 3717 N N . PRO A 1 485 . 21.583 79.025 37.500 1.00 50.47 ? N PRO A 485 1 -ATOM 3718 C CA . PRO A 1 485 . 22.850 79.019 36.758 1.00 51.91 ? CA PRO A 485 1 -ATOM 3719 C C . PRO A 1 485 . 23.766 80.205 37.072 1.00 52.65 ? C PRO A 485 1 -ATOM 3720 O O . PRO A 1 485 . 24.981 80.013 37.035 1.00 52.72 ? O PRO A 485 1 -ATOM 3721 C CB . PRO A 1 485 . 22.418 78.986 35.283 1.00 52.01 ? CB PRO A 485 1 -ATOM 3722 C CG . PRO A 1 485 . 20.927 78.579 35.263 1.00 50.28 ? CG PRO A 485 1 -ATOM 3723 C CD . PRO A 1 485 . 20.381 78.905 36.656 1.00 49.49 ? CD PRO A 485 1 -ATOM 3724 N N . SER A 1 490 . 26.591 79.111 46.480 1.00 46.63 ? N SER A 490 1 -ATOM 3725 C CA . SER A 1 490 . 27.530 78.335 45.692 1.00 45.59 ? CA SER A 490 1 -ATOM 3726 C C . SER A 1 490 . 26.698 77.159 45.269 1.00 42.64 ? C SER A 490 1 -ATOM 3727 O O . SER A 1 490 . 25.538 77.111 45.674 1.00 42.6 ? O SER A 490 1 -ATOM 3728 C CB . SER A 1 490 . 28.772 78.073 46.562 1.00 47.19 ? CB SER A 490 1 -ATOM 3729 O OG . SER A 1 490 . 29.102 79.384 47.073 1.00 50.73 ? OG SER A 490 1 -ATOM 3730 N N . LYS A 1 491 . 27.241 76.276 44.447 1.00 38.77 ? N LYS A 491 1 -ATOM 3731 C CA . LYS A 1 491 . 26.402 75.181 44.041 1.00 36.63 ? CA LYS A 491 1 -ATOM 3732 C C . LYS A 1 491 . 26.177 74.297 45.234 1.00 33.13 ? C LYS A 491 1 -ATOM 3733 O O . LYS A 1 491 . 27.062 74.134 46.060 1.00 35.13 ? O LYS A 491 1 -ATOM 3734 C CB . LYS A 1 491 . 27.005 74.422 42.846 1.00 40.99 ? CB LYS A 491 1 -ATOM 3735 C CG . LYS A 1 491 . 27.213 75.311 41.594 1.00 48.99 ? CG LYS A 491 1 -ATOM 3736 C CD . LYS A 1 491 . 25.893 75.808 40.953 1.00 57.24 ? CD LYS A 491 1 -ATOM 3737 C CE . LYS A 1 491 . 26.055 76.967 39.944 1.00 61.63 ? CE LYS A 491 1 -ATOM 3738 N NZ . LYS A 1 491 . 26.300 78.221 40.640 1.00 62.54 ? NZ LYS A 491 1 -ATOM 3739 N N . TRP A 1 492 . 24.951 73.815 45.309 1.00 26.12 ? N TRP A 492 1 -ATOM 3740 C CA . TRP A 1 492 . 24.500 72.929 46.334 1.00 19 ? CA TRP A 492 1 -ATOM 3741 C C . TRP A 1 492 . 24.755 71.623 45.588 1.00 18.58 ? C TRP A 492 1 -ATOM 3742 O O . TRP A 1 492 . 24.022 71.332 44.657 1.00 20.29 ? O TRP A 492 1 -ATOM 3743 C CB . TRP A 1 492 . 22.994 73.252 46.571 1.00 11.79 ? CB TRP A 492 1 -ATOM 3744 C CG . TRP A 1 492 . 22.225 72.250 47.431 1.00 10.05 ? CG TRP A 492 1 -ATOM 3745 C CD1 . TRP A 1 492 . 22.584 70.919 47.775 1.00 7.17 ? CD1 TRP A 492 1 -ATOM 3746 C CD2 . TRP A 1 492 . 20.962 72.476 48.003 1.00 6.08 ? CD2 TRP A 492 1 -ATOM 3747 N NE1 . TRP A 1 492 . 21.616 70.329 48.509 1.00 9.72 ? NE1 TRP A 492 1 -ATOM 3748 C CE2 . TRP A 1 492 . 20.594 71.219 48.686 1.00 6.7 ? CE2 TRP A 492 1 -ATOM 3749 C CE3 . TRP A 1 492 . 20.074 73.558 48.020 1.00 9.07 ? CE3 TRP A 492 1 -ATOM 3750 C CZ2 . TRP A 1 492 . 19.363 71.130 49.348 1.00 5.91 ? CZ2 TRP A 492 1 -ATOM 3751 C CZ3 . TRP A 1 492 . 18.846 73.430 48.700 1.00 6.97 ? CZ3 TRP A 492 1 -ATOM 3752 C CH2 . TRP A 1 492 . 18.498 72.235 49.355 1.00 4.77 ? CH2 TRP A 492 1 -ATOM 3753 N N . PRO A 1 493 . 25.819 70.870 45.921 1.00 17.27 ? N PRO A 493 1 -ATOM 3754 C CA . PRO A 1 493 . 26.128 69.659 45.145 1.00 19.88 ? CA PRO A 493 1 -ATOM 3755 C C . PRO A 1 493 . 25.022 68.629 45.075 1.00 20.16 ? C PRO A 493 1 -ATOM 3756 O O . PRO A 1 493 . 24.136 68.597 45.921 1.00 26.93 ? O PRO A 493 1 -ATOM 3757 C CB . PRO A 1 493 . 27.271 68.983 45.936 1.00 19.03 ? CB PRO A 493 1 -ATOM 3758 C CG . PRO A 1 493 . 27.844 70.063 46.857 1.00 22.5 ? CG PRO A 493 1 -ATOM 3759 C CD . PRO A 1 493 . 26.749 71.135 47.013 1.00 18.43 ? CD PRO A 493 1 -ATOM 3760 N N . LEU A 1 494 . 25.130 67.751 44.078 1.00 18.42 ? N LEU A 494 1 -ATOM 3761 C CA . LEU A 1 494 . 24.140 66.682 43.997 1.00 19.26 ? CA LEU A 494 1 -ATOM 3762 C C . LEU A 1 494 . 24.604 65.687 45.037 1.00 21.65 ? C LEU A 494 1 -ATOM 3763 O O . LEU A 1 494 . 25.778 65.617 45.407 1.00 26.28 ? O LEU A 494 1 -ATOM 3764 C CB . LEU A 1 494 . 24.198 65.863 42.675 1.00 18.39 ? CB LEU A 494 1 -ATOM 3765 C CG . LEU A 1 494 . 23.502 66.431 41.420 1.00 14.5 ? CG LEU A 494 1 -ATOM 3766 C CD1 . LEU A 1 494 . 24.072 65.720 40.181 1.00 14.53 ? CD1 LEU A 494 1 -ATOM 3767 C CD2 . LEU A 1 494 . 21.976 66.245 41.464 1.00 4.23 ? CD2 LEU A 494 1 -ATOM 3768 N N . PHE A 1 495 . 23.658 64.893 45.485 1.00 20.58 ? N PHE A 495 1 -ATOM 3769 C CA . PHE A 1 495 . 24.010 63.884 46.449 1.00 24.09 ? CA PHE A 495 1 -ATOM 3770 C C . PHE A 1 495 . 24.387 62.725 45.561 1.00 25.16 ? C PHE A 495 1 -ATOM 3771 O O . PHE A 1 495 . 23.678 62.448 44.600 1.00 27.4 ? O PHE A 495 1 -ATOM 3772 C CB . PHE A 1 495 . 22.790 63.533 47.346 1.00 24 ? CB PHE A 495 1 -ATOM 3773 C CG . PHE A 1 495 . 23.040 62.305 48.198 1.00 19.91 ? CG PHE A 495 1 -ATOM 3774 C CD1 . PHE A 1 495 . 22.816 61.023 47.681 1.00 19.53 ? CD1 PHE A 495 1 -ATOM 3775 C CD2 . PHE A 1 495 . 23.561 62.437 49.487 1.00 19.87 ? CD2 PHE A 495 1 -ATOM 3776 C CE1 . PHE A 1 495 . 23.152 59.888 48.429 1.00 23.95 ? CE1 PHE A 495 1 -ATOM 3777 C CE2 . PHE A 1 495 . 23.875 61.305 50.240 1.00 20.88 ? CE2 PHE A 495 1 -ATOM 3778 C CZ . PHE A 1 495 . 23.690 60.024 49.713 1.00 20.47 ? CZ PHE A 495 1 -ATOM 3779 N N . THR A 1 496 . 25.487 62.048 45.868 1.00 26.97 ? N THR A 496 1 -ATOM 3780 C CA . THR A 1 496 . 25.872 60.907 45.060 1.00 28.29 ? CA THR A 496 1 -ATOM 3781 C C . THR A 1 496 . 26.175 59.786 46.027 1.00 30.14 ? C THR A 496 1 -ATOM 3782 O O . THR A 1 496 . 26.657 60.005 47.130 1.00 31.89 ? O THR A 496 1 -ATOM 3783 C CB . THR A 1 496 . 27.053 61.284 44.158 1.00 30.33 ? CB THR A 496 1 -ATOM 3784 O OG1 . THR A 1 496 . 28.256 61.472 44.897 1.00 36.96 ? OG1 THR A 496 1 -ATOM 3785 C CG2 . THR A 1 496 . 26.828 62.591 43.379 1.00 34.12 ? CG2 THR A 496 1 -ATOM 3786 N N . THR A 1 497 . 25.927 58.562 45.611 1.00 31.97 ? N THR A 497 1 -ATOM 3787 C CA . THR A 1 497 . 26.216 57.468 46.527 1.00 33.76 ? CA THR A 497 1 -ATOM 3788 C C . THR A 1 497 . 27.712 57.368 46.853 1.00 37.8 ? C THR A 497 1 -ATOM 3789 O O . THR A 1 497 . 28.118 56.851 47.886 1.00 40.57 ? O THR A 497 1 -ATOM 3790 C CB . THR A 1 497 . 25.634 56.185 45.937 1.00 32.55 ? CB THR A 497 1 -ATOM 3791 O OG1 . THR A 1 497 . 26.015 56.130 44.560 1.00 37.23 ? OG1 THR A 497 1 -ATOM 3792 C CG2 . THR A 1 497 . 24.099 56.140 45.988 1.00 34.37 ? CG2 THR A 497 1 -ATOM 3793 N N . LYS A 1 498 . 28.511 57.888 45.908 1.00 40.37 ? N LYS A 498 1 -ATOM 3794 C CA . LYS A 1 498 . 29.960 57.887 46.057 1.00 42.8 ? CA LYS A 498 1 -ATOM 3795 C C . LYS A 1 498 . 30.373 58.851 47.147 1.00 42.93 ? C LYS A 498 1 -ATOM 3796 O O . LYS A 1 498 . 30.764 58.517 48.254 1.00 43.73 ? O LYS A 498 1 -ATOM 3797 C CB . LYS A 1 498 . 30.722 58.284 44.762 1.00 42.58 ? CB LYS A 498 1 -ATOM 3798 N N . GLU A 1 499 . 30.274 60.117 46.782 1.00 43.38 ? N GLU A 499 1 -ATOM 3799 C CA . GLU A 1 499 . 30.643 61.219 47.656 1.00 44.02 ? CA GLU A 499 1 -ATOM 3800 C C . GLU A 1 499 . 29.337 61.877 48.026 1.00 42.03 ? C GLU A 499 1 -ATOM 3801 O O . GLU A 1 499 . 28.832 62.794 47.380 1.00 45.5 ? O GLU A 499 1 -ATOM 3802 C CB . GLU A 1 499 . 31.619 62.139 46.899 1.00 45.86 ? CB GLU A 499 1 -ATOM 3803 C CG . GLU A 1 499 . 31.172 62.342 45.437 1.00 45.32 ? CG GLU A 499 1 -ATOM 3804 N N . GLN A 1 500 . 28.787 61.317 49.089 1.00 36.62 ? N GLN A 500 1 -ATOM 3805 C CA . GLN A 1 500 . 27.509 61.713 49.653 1.00 33.88 ? CA GLN A 500 1 -ATOM 3806 C C . GLN A 1 500 . 27.470 63.138 50.196 1.00 31.5 ? C GLN A 500 1 -ATOM 3807 O O . GLN A 1 500 . 27.473 63.311 51.409 1.00 37.01 ? O GLN A 500 1 -ATOM 3808 C CB . GLN A 1 500 . 27.230 60.692 50.764 1.00 35.36 ? CB GLN A 500 1 -ATOM 3809 C CG . GLN A 1 500 . 27.456 59.250 50.291 1.00 34.03 ? CG GLN A 500 1 -ATOM 3810 C CD . GLN A 1 500 . 26.779 58.232 51.164 1.00 36.65 ? CD GLN A 500 1 -ATOM 3811 O OE1 . GLN A 1 500 . 26.191 58.493 52.215 1.00 38.59 ? OE1 GLN A 500 1 -ATOM 3812 N NE2 . GLN A 1 500 . 26.894 57.016 50.684 1.00 39.33 ? NE2 GLN A 500 1 -ATOM 3813 N N . LYS A 1 501 . 27.434 64.140 49.321 1.00 26.18 ? N LYS A 501 1 -ATOM 3814 C CA . LYS A 1 501 . 27.421 65.517 49.789 1.00 21.65 ? CA LYS A 501 1 -ATOM 3815 C C . LYS A 1 501 . 26.041 66.019 50.134 1.00 21.55 ? C LYS A 501 1 -ATOM 3816 O O . LYS A 1 501 . 25.049 65.554 49.594 1.00 21.6 ? O LYS A 501 1 -ATOM 3817 C CB . LYS A 1 501 . 27.978 66.424 48.693 1.00 22.57 ? CB LYS A 501 1 -ATOM 3818 C CG . LYS A 1 501 . 29.489 66.261 48.541 1.00 27.22 ? CG LYS A 501 1 -ATOM 3819 C CD . LYS A 1 501 . 29.927 66.053 47.091 1.00 34.72 ? CD LYS A 501 1 -ATOM 3820 C CE . LYS A 1 501 . 31.419 66.344 46.895 1.00 37.58 ? CE LYS A 501 1 -ATOM 3821 N NZ . LYS A 1 501 . 31.651 67.784 46.932 1.00 41.05 ? NZ LYS A 501 1 -ATOM 3822 N N . PHE A 1 502 . 26.030 67.015 51.026 1.00 19.88 ? N PHE A 502 1 -ATOM 3823 C CA . PHE A 1 502 . 24.828 67.687 51.502 1.00 20.61 ? CA PHE A 502 1 -ATOM 3824 C C . PHE A 1 502 . 25.297 69.030 51.998 1.00 21.35 ? C PHE A 502 1 -ATOM 3825 O O . PHE A 1 502 . 26.501 69.257 52.126 1.00 20.82 ? O PHE A 502 1 -ATOM 3826 C CB . PHE A 1 502 . 24.091 66.939 52.623 1.00 20.67 ? CB PHE A 502 1 -ATOM 3827 C CG . PHE A 1 502 . 24.852 66.899 53.936 1.00 19.91 ? CG PHE A 502 1 -ATOM 3828 C CD1 . PHE A 1 502 . 24.654 67.907 54.902 1.00 19.7 ? CD1 PHE A 502 1 -ATOM 3829 C CD2 . PHE A 1 502 . 25.717 65.828 54.225 1.00 18.02 ? CD2 PHE A 502 1 -ATOM 3830 C CE1 . PHE A 1 502 . 25.280 67.827 56.149 1.00 16.32 ? CE1 PHE A 502 1 -ATOM 3831 C CE2 . PHE A 1 502 . 26.338 65.743 55.477 1.00 16.24 ? CE2 PHE A 502 1 -ATOM 3832 C CZ . PHE A 1 502 . 26.110 66.737 56.438 1.00 16.77 ? CZ PHE A 502 1 -ATOM 3833 N N . ILE A 1 503 . 24.340 69.909 52.303 1.00 19.7 ? N ILE A 503 1 -ATOM 3834 C CA . ILE A 1 503 . 24.756 71.214 52.769 1.00 21.62 ? CA ILE A 503 1 -ATOM 3835 C C . ILE A 1 503 . 24.054 71.584 54.048 1.00 23.19 ? C ILE A 503 1 -ATOM 3836 O O . ILE A 1 503 . 23.018 71.033 54.414 1.00 26.92 ? O ILE A 503 1 -ATOM 3837 C CB . ILE A 1 503 . 24.485 72.259 51.670 1.00 20.67 ? CB ILE A 503 1 -ATOM 3838 C CG1 . ILE A 1 503 . 23.007 72.413 51.293 1.00 18.01 ? CG1 ILE A 503 1 -ATOM 3839 C CG2 . ILE A 1 503 . 25.304 71.926 50.425 1.00 24.07 ? CG2 ILE A 503 1 -ATOM 3840 C CD1 . ILE A 1 503 . 22.765 73.733 50.558 1.00 17.69 ? CD1 ILE A 503 1 -ATOM 3841 N N . ASP A 1 504 . 24.667 72.543 54.740 1.00 23.58 ? N ASP A 504 1 -ATOM 3842 C CA . ASP A 1 504 . 24.075 73.039 55.972 1.00 24.35 ? CA ASP A 504 1 -ATOM 3843 C C . ASP A 1 504 . 23.161 74.165 55.530 1.00 23.37 ? C ASP A 504 1 -ATOM 3844 O O . ASP A 1 504 . 23.494 74.928 54.633 1.00 26.8 ? O ASP A 504 1 -ATOM 3845 C CB . ASP A 1 504 . 25.142 73.603 56.917 1.00 28.56 ? CB ASP A 504 1 -ATOM 3846 C CG . ASP A 1 504 . 25.866 72.563 57.755 1.00 31.28 ? CG ASP A 504 1 -ATOM 3847 O OD1 . ASP A 1 504 . 25.449 71.404 57.795 1.00 30.48 ? OD1 ASP A 504 1 -ATOM 3848 O OD2 . ASP A 1 504 . 26.854 72.935 58.387 1.00 36.62 ? OD2 ASP A 504 1 -ATOM 3849 N N . LEU A 1 505 . 22.027 74.291 56.181 1.00 21.29 ? N LEU A 505 1 -ATOM 3850 C CA . LEU A 1 505 . 21.099 75.326 55.795 1.00 19.77 ? CA LEU A 505 1 -ATOM 3851 C C . LEU A 1 505 . 20.890 76.199 57.017 1.00 22.78 ? C LEU A 505 1 -ATOM 3852 O O . LEU A 1 505 . 20.004 75.992 57.834 1.00 27.15 ? O LEU A 505 1 -ATOM 3853 C CB . LEU A 1 505 . 19.843 74.574 55.338 1.00 16 ? CB LEU A 505 1 -ATOM 3854 C CG . LEU A 1 505 . 19.007 75.260 54.277 1.00 14.53 ? CG LEU A 505 1 -ATOM 3855 C CD1 . LEU A 1 505 . 19.803 75.551 52.994 1.00 11.95 ? CD1 LEU A 505 1 -ATOM 3856 C CD2 . LEU A 1 505 . 17.796 74.358 53.969 1.00 13.12 ? CD2 LEU A 505 1 -ATOM 3857 N N . ASN A 1 506 . 21.768 77.168 57.181 1.00 22.31 ? N ASN A 506 1 -ATOM 3858 C CA . ASN A 1 506 . 21.673 78.071 58.314 1.00 23.56 ? CA ASN A 506 1 -ATOM 3859 C C . ASN A 1 506 . 22.193 79.378 57.791 1.00 26.6 ? C ASN A 506 1 -ATOM 3860 O O . ASN A 1 506 . 22.670 79.422 56.675 1.00 31.76 ? O ASN A 506 1 -ATOM 3861 C CB . ASN A 1 506 . 22.439 77.572 59.537 1.00 21.45 ? CB ASN A 506 1 -ATOM 3862 C CG . ASN A 1 506 . 23.910 77.470 59.239 1.00 21.54 ? CG ASN A 506 1 -ATOM 3863 O OD1 . ASN A 1 506 . 24.511 78.471 58.895 1.00 15.8 ? OD1 ASN A 506 1 -ATOM 3864 N ND2 . ASN A 1 506 . 24.483 76.272 59.376 1.00 18.47 ? ND2 ASN A 506 1 -ATOM 3865 N N . THR A 1 507 . 22.104 80.426 58.594 1.00 26.94 ? N THR A 507 1 -ATOM 3866 C CA . THR A 1 507 . 22.532 81.752 58.159 1.00 28.8 ? CA THR A 507 1 -ATOM 3867 C C . THR A 1 507 . 24.014 82.032 57.809 1.00 31.21 ? C THR A 507 1 -ATOM 3868 O O . THR A 1 507 . 24.354 83.131 57.382 1.00 32.73 ? O THR A 507 1 -ATOM 3869 C CB . THR A 1 507 . 22.051 82.754 59.214 1.00 29.17 ? CB THR A 507 1 -ATOM 3870 O OG1 . THR A 1 507 . 22.596 82.406 60.489 1.00 30.67 ? OG1 THR A 507 1 -ATOM 3871 C CG2 . THR A 1 507 . 20.523 82.841 59.393 1.00 27.48 ? CG2 THR A 507 1 -ATOM 3872 N N . GLU A 1 508 . 24.918 81.088 58.022 1.00 33.28 ? N GLU A 508 1 -ATOM 3873 C CA . GLU A 1 508 . 26.312 81.365 57.690 1.00 37.8 ? CA GLU A 508 1 -ATOM 3874 C C . GLU A 1 508 . 26.534 81.120 56.192 1.00 43.12 ? C GLU A 508 1 -ATOM 3875 O O . GLU A 1 508 . 25.679 80.610 55.477 1.00 46.45 ? O GLU A 508 1 -ATOM 3876 C CB . GLU A 1 508 . 27.222 80.495 58.560 1.00 36.74 ? CB GLU A 508 1 -ATOM 3877 C CG . GLU A 1 508 . 27.087 80.878 60.030 1.00 37.93 ? CG GLU A 508 1 -ATOM 3878 N N . PRO A 1 509 . 27.753 81.462 55.723 1.00 45.16 ? N PRO A 509 1 -ATOM 3879 C CA . PRO A 1 509 . 28.326 80.814 54.543 1.00 45.89 ? CA PRO A 509 1 -ATOM 3880 C C . PRO A 1 509 . 28.195 79.279 54.480 1.00 46.4 ? C PRO A 509 1 -ATOM 3881 O O . PRO A 1 509 . 28.728 78.532 55.291 1.00 47.25 ? O PRO A 509 1 -ATOM 3882 C CB . PRO A 1 509 . 29.783 81.285 54.586 1.00 47.53 ? CB PRO A 509 1 -ATOM 3883 C CG . PRO A 1 509 . 29.772 82.639 55.328 1.00 49.06 ? CG PRO A 509 1 -ATOM 3884 C CD . PRO A 1 509 . 28.515 82.611 56.209 1.00 47.98 ? CD PRO A 509 1 -ATOM 3885 N N . MET A 1 510 . 27.466 78.864 53.443 1.00 45.34 ? N MET A 510 1 -ATOM 3886 C CA . MET A 1 510 . 27.173 77.470 53.140 1.00 43.84 ? CA MET A 510 1 -ATOM 3887 C C . MET A 1 510 . 28.368 76.540 53.244 1.00 42.69 ? C MET A 510 1 -ATOM 3888 O O . MET A 1 510 . 29.455 76.849 52.775 1.00 45.05 ? O MET A 510 1 -ATOM 3889 C CB . MET A 1 510 . 26.687 77.420 51.678 1.00 44.66 ? CB MET A 510 1 -ATOM 3890 C CG . MET A 1 510 . 25.631 76.352 51.383 1.00 48.03 ? CG MET A 510 1 -ATOM 3891 S SD . MET A 1 510 . 25.524 76.214 49.574 1.00 48.04 ? SD MET A 510 1 -ATOM 3892 C CE . MET A 1 510 . 26.976 75.147 49.315 1.00 46.5 ? CE MET A 510 1 -ATOM 3893 N N . LYS A 1 511 . 28.127 75.365 53.813 1.00 38.25 ? N LYS A 511 1 -ATOM 3894 C CA . LYS A 1 511 . 29.199 74.402 53.925 1.00 37.85 ? CA LYS A 511 1 -ATOM 3895 C C . LYS A 1 511 . 28.612 73.139 53.386 1.00 36.58 ? C LYS A 511 1 -ATOM 3896 O O . LYS A 1 511 . 27.443 72.831 53.590 1.00 41.64 ? O LYS A 511 1 -ATOM 3897 C CB . LYS A 1 511 . 29.680 74.208 55.364 1.00 39.61 ? CB LYS A 511 1 -ATOM 3898 C CG . LYS A 1 511 . 30.365 75.483 55.888 1.00 45.9 ? CG LYS A 511 1 -ATOM 3899 N N . VAL A 1 512 . 29.451 72.433 52.668 1.00 33.4 ? N VAL A 512 1 -ATOM 3900 C CA . VAL A 1 512 . 29.092 71.186 52.072 1.00 31.1 ? CA VAL A 512 1 -ATOM 3901 C C . VAL A 1 512 . 29.763 70.204 52.995 1.00 31.86 ? C VAL A 512 1 -ATOM 3902 O O . VAL A 1 512 . 30.877 70.441 53.458 1.00 35.08 ? O VAL A 512 1 -ATOM 3903 C CB . VAL A 1 512 . 29.715 71.171 50.663 1.00 29.54 ? CB VAL A 512 1 -ATOM 3904 C CG1 . VAL A 1 512 . 29.595 69.803 49.976 1.00 24.94 ? CG1 VAL A 512 1 -ATOM 3905 C CG2 . VAL A 1 512 . 29.173 72.324 49.782 1.00 24.63 ? CG2 VAL A 512 1 -ATOM 3906 N N . HIS A 1 513 . 29.103 69.099 53.252 1.00 30.57 ? N HIS A 513 1 -ATOM 3907 C CA . HIS A 1 513 . 29.684 68.110 54.137 1.00 28.81 ? CA HIS A 513 1 -ATOM 3908 C C . HIS A 1 513 . 29.496 66.808 53.442 1.00 25.76 ? C HIS A 513 1 -ATOM 3909 O O . HIS A 1 513 . 29.010 66.767 52.325 1.00 25.49 ? O HIS A 513 1 -ATOM 3910 C CB . HIS A 1 513 . 28.911 68.108 55.460 1.00 30.36 ? CB HIS A 513 1 -ATOM 3911 C CG . HIS A 1 513 . 29.010 69.433 56.177 1.00 30.18 ? CG HIS A 513 1 -ATOM 3912 N ND1 . HIS A 1 513 . 29.984 69.762 57.046 1.00 27.05 ? ND1 HIS A 513 1 -ATOM 3913 C CD2 . HIS A 1 513 . 28.120 70.531 56.077 1.00 30.29 ? CD2 HIS A 513 1 -ATOM 3914 C CE1 . HIS A 1 513 . 29.710 71.006 57.465 1.00 29.04 ? CE1 HIS A 513 1 -ATOM 3915 N NE2 . HIS A 1 513 . 28.595 71.488 56.893 1.00 27.19 ? NE2 HIS A 513 1 -ATOM 3916 N N . GLN A 1 514 . 29.878 65.729 54.107 1.00 26.12 ? N GLN A 514 1 -ATOM 3917 C CA . GLN A 1 514 . 29.700 64.446 53.466 1.00 28.73 ? CA GLN A 514 1 -ATOM 3918 C C . GLN A 1 514 . 29.154 63.479 54.488 1.00 26.2 ? C GLN A 514 1 -ATOM 3919 O O . GLN A 1 514 . 29.258 63.668 55.688 1.00 28.26 ? O GLN A 514 1 -ATOM 3920 C CB . GLN A 1 514 . 31.047 63.886 52.982 1.00 34.39 ? CB GLN A 514 1 -ATOM 3921 C CG . GLN A 1 514 . 31.757 64.771 51.948 1.00 43.27 ? CG GLN A 514 1 -ATOM 3922 C CD . GLN A 1 514 . 32.749 63.918 51.176 1.00 50.37 ? CD GLN A 514 1 -ATOM 3923 O OE1 . GLN A 1 514 . 32.742 63.829 49.961 1.00 54.52 ? OE1 GLN A 514 1 -ATOM 3924 N NE2 . GLN A 1 514 . 33.595 63.232 51.934 1.00 54.93 ? NE2 GLN A 514 1 -ATOM 3925 N N . ARG A 1 515 . 28.572 62.430 53.950 1.00 22.03 ? N ARG A 515 1 -ATOM 3926 C CA . ARG A 1 515 . 28.017 61.340 54.718 1.00 25.43 ? CA ARG A 515 1 -ATOM 3927 C C . ARG A 1 515 . 27.241 61.698 55.989 1.00 26.46 ? C ARG A 515 1 -ATOM 3928 O O . ARG A 1 515 . 27.659 61.338 57.085 1.00 28.69 ? O ARG A 515 1 -ATOM 3929 C CB . ARG A 1 515 . 29.141 60.360 55.035 1.00 22.7 ? CB ARG A 515 1 -ATOM 3930 C CG . ARG A 1 515 . 30.029 60.068 53.829 1.00 28.79 ? CG ARG A 515 1 -ATOM 3931 C CD . ARG A 1 515 . 30.769 58.730 53.914 1.00 32.56 ? CD ARG A 515 1 -ATOM 3932 N NE . ARG A 1 515 . 31.746 58.638 52.841 1.00 36.56 ? NE ARG A 515 1 -ATOM 3933 N N . LEU A 1 516 . 26.088 62.384 55.818 1.00 26.31 ? N LEU A 516 1 -ATOM 3934 C CA . LEU A 1 516 . 25.240 62.770 56.973 1.00 23.29 ? CA LEU A 516 1 -ATOM 3935 C C . LEU A 1 516 . 25.011 61.575 57.903 1.00 23.73 ? C LEU A 516 1 -ATOM 3936 O O . LEU A 1 516 . 24.396 60.585 57.519 1.00 27.68 ? O LEU A 516 1 -ATOM 3937 C CB . LEU A 1 516 . 23.860 63.311 56.494 1.00 18.5 ? CB LEU A 516 1 -ATOM 3938 C CG . LEU A 1 516 . 22.863 63.749 57.589 1.00 14.83 ? CG LEU A 516 1 -ATOM 3939 C CD1 . LEU A 1 516 . 23.390 64.914 58.426 1.00 12.67 ? CD1 LEU A 516 1 -ATOM 3940 C CD2 . LEU A 1 516 . 21.511 64.142 56.982 1.00 13.11 ? CD2 LEU A 516 1 -ATOM 3941 N N . ARG A 1 517 . 25.558 61.711 59.122 1.00 20.27 ? N ARG A 517 1 -ATOM 3942 C CA . ARG A 1 517 . 25.469 60.716 60.191 1.00 17.84 ? CA ARG A 517 1 -ATOM 3943 C C . ARG A 1 517 . 25.761 59.285 59.806 1.00 15.26 ? C ARG A 517 1 -ATOM 3944 O O . ARG A 1 517 . 24.978 58.420 60.175 1.00 16.45 ? O ARG A 517 1 -ATOM 3945 C CB . ARG A 1 517 . 24.117 60.794 60.935 1.00 19.67 ? CB ARG A 517 1 -ATOM 3946 C CG . ARG A 1 517 . 23.890 62.214 61.487 1.00 30.15 ? CG ARG A 517 1 -ATOM 3947 C CD . ARG A 1 517 . 22.794 62.298 62.550 1.00 36.82 ? CD ARG A 517 1 -ATOM 3948 N NE . ARG A 1 517 . 23.183 61.635 63.783 1.00 41.57 ? NE ARG A 517 1 -ATOM 3949 C CZ . ARG A 1 517 . 23.891 62.251 64.733 1.00 43.2 ? CZ ARG A 517 1 -ATOM 3950 N NH1 . ARG A 1 517 . 24.358 63.482 64.526 1.00 47.32 ? NH1 ARG A 517 1 -ATOM 3951 N NH2 . ARG A 1 517 . 24.121 61.624 65.890 1.00 42.62 ? NH2 ARG A 517 1 -ATOM 3952 N N . VAL A 1 518 . 26.889 59.019 59.127 1.00 13.18 ? N VAL A 518 1 -ATOM 3953 C CA . VAL A 1 518 . 27.135 57.612 58.778 1.00 17.36 ? CA VAL A 518 1 -ATOM 3954 C C . VAL A 1 518 . 27.213 56.664 59.963 1.00 18.52 ? C VAL A 518 1 -ATOM 3955 O O . VAL A 1 518 . 26.413 55.754 60.096 1.00 14.69 ? O VAL A 518 1 -ATOM 3956 C CB . VAL A 1 518 . 28.401 57.398 57.912 1.00 18.87 ? CB VAL A 518 1 -ATOM 3957 C CG1 . VAL A 1 518 . 27.970 57.120 56.474 1.00 28.46 ? CG1 VAL A 518 1 -ATOM 3958 C CG2 . VAL A 1 518 . 29.428 58.554 57.996 1.00 21.55 ? CG2 VAL A 518 1 -ATOM 3959 N N . GLN A 1 519 . 28.214 56.902 60.832 1.00 22.65 ? N GLN A 519 1 -ATOM 3960 C CA . GLN A 1 519 . 28.449 56.063 62.017 1.00 24.45 ? CA GLN A 519 1 -ATOM 3961 C C . GLN A 1 519 . 27.175 55.603 62.702 1.00 22.52 ? C GLN A 519 1 -ATOM 3962 O O . GLN A 1 519 . 26.929 54.421 62.883 1.00 24 ? O GLN A 519 1 -ATOM 3963 C CB . GLN A 1 519 . 29.347 56.800 63.032 1.00 32.94 ? CB GLN A 519 1 -ATOM 3964 C CG . GLN A 1 519 . 30.815 57.005 62.565 1.00 45.37 ? CG GLN A 519 1 -ATOM 3965 C CD . GLN A 1 519 . 31.899 56.076 63.138 1.00 53.76 ? CD GLN A 519 1 -ATOM 3966 O OE1 . GLN A 1 519 . 32.995 56.074 62.600 1.00 55.27 ? OE1 GLN A 519 1 -ATOM 3967 N NE2 . GLN A 1 519 . 31.604 55.292 64.188 1.00 57.01 ? NE2 GLN A 519 1 -ATOM 3968 N N . MET A 1 520 . 26.362 56.589 63.069 1.00 18.13 ? N MET A 520 1 -ATOM 3969 C CA . MET A 1 520 . 25.139 56.218 63.731 1.00 17.36 ? CA MET A 520 1 -ATOM 3970 C C . MET A 1 520 . 24.192 55.493 62.790 1.00 17.54 ? C MET A 520 1 -ATOM 3971 O O . MET A 1 520 . 23.574 54.475 63.097 1.00 20.36 ? O MET A 520 1 -ATOM 3972 C CB . MET A 1 520 . 24.492 57.463 64.356 1.00 21.26 ? CB MET A 520 1 -ATOM 3973 C CG . MET A 1 520 . 25.296 58.011 65.558 1.00 29.41 ? CG MET A 520 1 -ATOM 3974 S SD . MET A 1 520 . 25.354 56.747 66.907 1.00 39.85 ? SD MET A 520 1 -ATOM 3975 C CE . MET A 1 520 . 27.122 56.322 67.005 1.00 34.92 ? CE MET A 520 1 -ATOM 3976 N N . CYS A 1 521 . 24.081 56.023 61.579 1.00 17.21 ? N CYS A 521 1 -ATOM 3977 C CA . CYS A 1 521 . 23.154 55.371 60.677 1.00 14 ? CA CYS A 521 1 -ATOM 3978 C C . CYS A 1 521 . 23.529 53.950 60.292 1.00 16.98 ? C CYS A 521 1 -ATOM 3979 O O . CYS A 1 521 . 22.612 53.181 60.031 1.00 17.51 ? O CYS A 521 1 -ATOM 3980 C CB . CYS A 1 521 . 22.786 56.281 59.529 1.00 8.52 ? CB CYS A 521 1 -ATOM 3981 S SG . CYS A 1 521 . 21.751 57.655 60.125 1.00 16.59 ? SG CYS A 521 1 -ATOM 3982 N N . VAL A 1 522 . 24.819 53.545 60.268 1.00 17.4 ? N VAL A 522 1 -ATOM 3983 C CA . VAL A 1 522 . 25.074 52.145 59.913 1.00 18.14 ? CA VAL A 522 1 -ATOM 3984 C C . VAL A 1 522 . 24.569 51.258 61.053 1.00 19.65 ? C VAL A 522 1 -ATOM 3985 O O . VAL A 1 522 . 24.107 50.131 60.864 1.00 20.84 ? O VAL A 522 1 -ATOM 3986 C CB . VAL A 1 522 . 26.535 51.858 59.422 1.00 18.71 ? CB VAL A 522 1 -ATOM 3987 C CG1 . VAL A 1 522 . 27.443 53.092 59.300 1.00 18.1 ? CG1 VAL A 522 1 -ATOM 3988 C CG2 . VAL A 1 522 . 27.275 50.710 60.133 1.00 19.79 ? CG2 VAL A 522 1 -ATOM 3989 N N . PHE A 1 523 . 24.641 51.823 62.273 1.00 17.39 ? N PHE A 523 1 -ATOM 3990 C CA . PHE A 1 523 . 24.176 51.083 63.433 1.00 9.03 ? CA PHE A 523 1 -ATOM 3991 C C . PHE A 1 523 . 22.695 50.785 63.259 1.00 8.45 ? C PHE A 523 1 -ATOM 3992 O O . PHE A 1 523 . 22.258 49.643 63.346 1.00 3.41 ? O PHE A 523 1 -ATOM 3993 C CB . PHE A 1 523 . 24.518 51.825 64.769 1.00 7.45 ? CB PHE A 523 1 -ATOM 3994 C CG . PHE A 1 523 . 23.720 51.305 65.945 1.00 5.37 ? CG PHE A 523 1 -ATOM 3995 C CD1 . PHE A 1 523 . 24.035 50.067 66.541 1.00 6.23 ? CD1 PHE A 523 1 -ATOM 3996 C CD2 . PHE A 1 523 . 22.576 52.001 66.370 1.00 3.83 ? CD2 PHE A 523 1 -ATOM 3997 C CE1 . PHE A 1 523 . 23.190 49.508 67.508 1.00 2 ? CE1 PHE A 523 1 -ATOM 3998 C CE2 . PHE A 1 523 . 21.724 51.438 67.331 1.00 7.44 ? CE2 PHE A 523 1 -ATOM 3999 C CZ . PHE A 1 523 . 22.026 50.187 67.892 1.00 6.72 ? CZ PHE A 523 1 -ATOM 4000 N N . TRP A 1 524 . 21.937 51.834 62.952 1.00 7.86 ? N TRP A 524 1 -ATOM 4001 C CA . TRP A 1 524 . 20.500 51.585 62.835 1.00 11.1 ? CA TRP A 524 1 -ATOM 4002 C C . TRP A 1 524 . 20.040 50.879 61.586 1.00 15.89 ? C TRP A 524 1 -ATOM 4003 O O . TRP A 1 524 . 19.126 50.063 61.596 1.00 17.8 ? O TRP A 524 1 -ATOM 4004 C CB . TRP A 1 524 . 19.715 52.895 62.845 1.00 12.61 ? CB TRP A 524 1 -ATOM 4005 C CG . TRP A 1 524 . 19.798 53.607 64.177 1.00 15.47 ? CG TRP A 524 1 -ATOM 4006 C CD1 . TRP A 1 524 . 20.569 54.758 64.435 1.00 15.71 ? CD1 TRP A 524 1 -ATOM 4007 C CD2 . TRP A 1 524 . 19.075 53.306 65.356 1.00 18.98 ? CD2 TRP A 524 1 -ATOM 4008 N NE1 . TRP A 1 524 . 20.342 55.184 65.697 1.00 20.24 ? NE1 TRP A 524 1 -ATOM 4009 C CE2 . TRP A 1 524 . 19.442 54.362 66.316 1.00 19.98 ? CE2 TRP A 524 1 -ATOM 4010 C CE3 . TRP A 1 524 . 18.150 52.319 65.742 1.00 19.46 ? CE3 TRP A 524 1 -ATOM 4011 C CZ2 . TRP A 1 524 . 18.834 54.384 67.573 1.00 19.02 ? CZ2 TRP A 524 1 -ATOM 4012 C CZ3 . TRP A 1 524 . 17.566 52.368 67.018 1.00 17.22 ? CZ3 TRP A 524 1 -ATOM 4013 C CH2 . TRP A 1 524 . 17.898 53.396 67.915 1.00 18.94 ? CH2 TRP A 524 1 -ATOM 4014 N N . ASN A 1 525 . 20.692 51.232 60.494 1.00 17.1 ? N ASN A 525 1 -ATOM 4015 C CA . ASN A 1 525 . 20.282 50.645 59.219 1.00 16.79 ? CA ASN A 525 1 -ATOM 4016 C C . ASN A 1 525 . 20.845 49.277 58.944 1.00 14.42 ? C ASN A 525 1 -ATOM 4017 O O . ASN A 1 525 . 20.261 48.520 58.189 1.00 16.93 ? O ASN A 525 1 -ATOM 4018 C CB . ASN A 1 525 . 20.606 51.587 58.051 1.00 17.2 ? CB ASN A 525 1 -ATOM 4019 C CG . ASN A 1 525 . 19.745 52.837 58.125 1.00 18.04 ? CG ASN A 525 1 -ATOM 4020 O OD1 . ASN A 1 525 . 18.776 52.946 58.867 1.00 21.34 ? OD1 ASN A 525 1 -ATOM 4021 N ND2 . ASN A 1 525 . 20.136 53.832 57.342 1.00 14.58 ? ND2 ASN A 525 1 -ATOM 4022 N N . GLN A 1 526 . 21.976 48.930 59.546 1.00 12.51 ? N GLN A 526 1 -ATOM 4023 C CA . GLN A 1 526 . 22.513 47.607 59.243 1.00 14.28 ? CA GLN A 526 1 -ATOM 4024 C C . GLN A 1 526 . 22.716 46.736 60.470 1.00 16.98 ? C GLN A 526 1 -ATOM 4025 O O . GLN A 1 526 . 22.320 45.578 60.494 1.00 19.08 ? O GLN A 526 1 -ATOM 4026 C CB . GLN A 1 526 . 23.829 47.745 58.438 1.00 13.48 ? CB GLN A 526 1 -ATOM 4027 C CG . GLN A 1 526 . 23.650 48.678 57.207 1.00 17.9 ? CG GLN A 526 1 -ATOM 4028 N N . PHE A 1 527 . 23.318 47.297 61.527 1.00 16.07 ? N PHE A 527 1 -ATOM 4029 C CA . PHE A 1 527 . 23.563 46.421 62.686 1.00 16.54 ? CA PHE A 527 1 -ATOM 4030 C C . PHE A 1 527 . 22.332 46.007 63.488 1.00 16.59 ? C PHE A 527 1 -ATOM 4031 O O . PHE A 1 527 . 22.007 44.828 63.604 1.00 13.61 ? O PHE A 527 1 -ATOM 4032 C CB . PHE A 1 527 . 24.655 47.012 63.596 1.00 14.68 ? CB PHE A 527 1 -ATOM 4033 C CG . PHE A 1 527 . 25.076 46.046 64.677 1.00 10.73 ? CG PHE A 527 1 -ATOM 4034 C CD1 . PHE A 1 527 . 25.852 44.917 64.363 1.00 11.88 ? CD1 PHE A 527 1 -ATOM 4035 C CD2 . PHE A 1 527 . 24.671 46.263 66.008 1.00 12.72 ? CD2 PHE A 527 1 -ATOM 4036 C CE1 . PHE A 1 527 . 26.214 44.004 65.365 1.00 13.01 ? CE1 PHE A 527 1 -ATOM 4037 C CE2 . PHE A 1 527 . 25.025 45.356 67.012 1.00 8.78 ? CE2 PHE A 527 1 -ATOM 4038 C CZ . PHE A 1 527 . 25.794 44.223 66.689 1.00 12.29 ? CZ PHE A 527 1 -ATOM 4039 N N . LEU A 1 528 . 21.662 47.022 64.063 1.00 16.71 ? N LEU A 528 1 -ATOM 4040 C CA . LEU A 1 528 . 20.475 46.833 64.892 1.00 14.7 ? CA LEU A 528 1 -ATOM 4041 C C . LEU A 1 528 . 19.553 45.799 64.305 1.00 18.13 ? C LEU A 528 1 -ATOM 4042 O O . LEU A 1 528 . 19.262 44.812 64.965 1.00 20.42 ? O LEU A 528 1 -ATOM 4043 C CB . LEU A 1 528 . 19.785 48.171 65.282 1.00 15.48 ? CB LEU A 528 1 -ATOM 4044 C CG . LEU A 1 528 . 18.899 48.182 66.562 1.00 17.15 ? CG LEU A 528 1 -ATOM 4045 C CD1 . LEU A 1 528 . 17.433 47.902 66.268 1.00 17.51 ? CD1 LEU A 528 1 -ATOM 4046 C CD2 . LEU A 1 528 . 19.384 47.234 67.680 1.00 22.24 ? CD2 LEU A 528 1 -ATOM 4047 N N . PRO A 1 529 . 19.117 45.982 63.041 1.00 21.47 ? N PRO A 529 1 -ATOM 4048 C CA . PRO A 1 529 . 18.174 45.038 62.469 1.00 19.45 ? CA PRO A 529 1 -ATOM 4049 C C . PRO A 1 529 . 18.692 43.611 62.490 1.00 19.92 ? C PRO A 529 1 -ATOM 4050 O O . PRO A 1 529 . 17.931 42.702 62.791 1.00 22.84 ? O PRO A 529 1 -ATOM 4051 C CB . PRO A 1 529 . 17.891 45.584 61.059 1.00 20.48 ? CB PRO A 529 1 -ATOM 4052 C CG . PRO A 1 529 . 18.428 47.033 61.030 1.00 22.9 ? CG PRO A 529 1 -ATOM 4053 C CD . PRO A 1 529 . 19.505 47.054 62.112 1.00 24.83 ? CD PRO A 529 1 -ATOM 4054 N N . LYS A 1 530 . 19.993 43.418 62.184 1.00 20.19 ? N LYS A 530 1 -ATOM 4055 C CA . LYS A 1 530 . 20.520 42.043 62.197 1.00 21.49 ? CA LYS A 530 1 -ATOM 4056 C C . LYS A 1 530 . 20.456 41.436 63.567 1.00 22.31 ? C LYS A 530 1 -ATOM 4057 O O . LYS A 1 530 . 20.130 40.275 63.761 1.00 21.11 ? O LYS A 530 1 -ATOM 4058 C CB . LYS A 1 530 . 22.023 41.919 61.863 1.00 24.91 ? CB LYS A 530 1 -ATOM 4059 C CG . LYS A 1 530 . 22.412 42.144 60.399 1.00 33.7 ? CG LYS A 530 1 -ATOM 4060 C CD . LYS A 1 530 . 23.846 41.645 60.116 1.00 35.91 ? CD LYS A 530 1 -ATOM 4061 C CE . LYS A 1 530 . 23.982 40.107 60.198 1.00 38.83 ? CE LYS A 530 1 -ATOM 4062 N NZ . LYS A 1 530 . 25.241 39.667 59.617 1.00 41.88 ? NZ LYS A 530 1 -ATOM 4063 N N . LEU A 1 531 . 20.847 42.280 64.517 1.00 22.3 ? N LEU A 531 1 -ATOM 4064 C CA . LEU A 1 531 . 20.876 41.865 65.898 1.00 18.46 ? CA LEU A 531 1 -ATOM 4065 C C . LEU A 1 531 . 19.522 41.358 66.294 1.00 17.79 ? C LEU A 531 1 -ATOM 4066 O O . LEU A 1 531 . 19.353 40.208 66.678 1.00 16.65 ? O LEU A 531 1 -ATOM 4067 C CB . LEU A 1 531 . 21.411 43.010 66.772 1.00 17.72 ? CB LEU A 531 1 -ATOM 4068 C CG . LEU A 1 531 . 21.552 42.671 68.270 1.00 15.86 ? CG LEU A 531 1 -ATOM 4069 C CD1 . LEU A 1 531 . 22.744 43.392 68.889 1.00 16.38 ? CD1 LEU A 531 1 -ATOM 4070 C CD2 . LEU A 1 531 . 20.288 43.038 69.055 1.00 16.82 ? CD2 LEU A 531 1 -ATOM 4071 N N . LEU A 1 532 . 18.546 42.244 66.105 1.00 15.97 ? N LEU A 532 1 -ATOM 4072 C CA . LEU A 1 532 . 17.185 41.887 66.469 1.00 20.58 ? CA LEU A 532 1 -ATOM 4073 C C . LEU A 1 532 . 16.678 40.657 65.760 1.00 24 ? C LEU A 532 1 -ATOM 4074 O O . LEU A 1 532 . 15.829 39.963 66.296 1.00 29.22 ? O LEU A 532 1 -ATOM 4075 C CB . LEU A 1 532 . 16.181 43.042 66.267 1.00 15.9 ? CB LEU A 532 1 -ATOM 4076 C CG . LEU A 1 532 . 16.396 44.267 67.183 1.00 18.48 ? CG LEU A 532 1 -ATOM 4077 C CD1 . LEU A 1 532 . 15.331 45.338 66.923 1.00 16.5 ? CD1 LEU A 532 1 -ATOM 4078 C CD2 . LEU A 1 532 . 16.394 43.907 68.686 1.00 17.77 ? CD2 LEU A 532 1 -ATOM 4079 N N . ASN A 1 533 . 17.185 40.405 64.549 1.00 27.83 ? N ASN A 533 1 -ATOM 4080 C CA . ASN A 1 533 . 16.745 39.236 63.789 1.00 28.48 ? CA ASN A 533 1 -ATOM 4081 C C . ASN A 1 533 . 17.405 37.945 64.224 1.00 30.57 ? C ASN A 533 1 -ATOM 4082 O O . ASN A 1 533 . 16.837 36.864 64.159 1.00 29.7 ? O ASN A 533 1 -ATOM 4083 C CB . ASN A 1 533 . 17.090 39.419 62.312 1.00 26.73 ? CB ASN A 533 1 -ATOM 4084 N N . ALA A 1 534 . 18.662 38.069 64.651 1.00 32.89 ? N ALA A 534 1 -ATOM 4085 C CA . ALA A 1 534 . 19.349 36.857 65.054 1.00 36.26 ? CA ALA A 534 1 -ATOM 4086 C C . ALA A 1 534 . 18.814 36.337 66.354 1.00 42.3 ? C ALA A 534 1 -ATOM 4087 O O . ALA A 1 534 . 18.765 35.133 66.595 1.00 44.56 ? O ALA A 534 1 -ATOM 4088 C CB . ALA A 1 534 . 20.852 37.072 65.222 1.00 32.57 ? CB ALA A 534 1 -ATOM 4089 N N . THR A 1 535 . 18.484 37.298 67.215 1.00 47.29 ? N THR A 535 1 -ATOM 4090 C CA . THR A 1 535 . 17.953 36.960 68.511 1.00 51.46 ? CA THR A 535 1 -ATOM 4091 C C . THR A 1 535 . 16.502 36.487 68.376 1.00 53.1 ? C THR A 535 1 -ATOM 4092 O O . THR A 1 535 . 15.627 37.055 69.040 1.00 57.37 ? O THR A 535 1 -ATOM 4093 C CB . THR A 1 535 . 18.060 38.196 69.422 1.00 53.08 ? CB THR A 535 1 -ATOM 4094 O OG1 . THR A 1 535 . 19.279 38.910 69.244 1.00 52.38 ? OG1 THR A 535 1 -ATOM 4095 C CG2 . THR A 1 535 . 18.026 37.829 70.916 1.00 59.93 ? CG2 THR A 535 1 -HETATM 4096 C C1 . THA B 2 . . 6.362 71.261 69.025 1.00 22.38 ? C1 THA A 999 1 -HETATM 4097 C C2 . THA B 2 . . 6.697 70.955 67.712 1.00 25.41 ? C2 THA A 999 1 -HETATM 4098 C C3 . THA B 2 . . 5.719 70.518 66.819 1.00 24.66 ? C3 THA A 999 1 -HETATM 4099 C C4 . THA B 2 . . 4.351 70.381 67.260 1.00 21.7 ? C4 THA A 999 1 -HETATM 4100 C C5 . THA B 2 . . 4.056 70.702 68.603 1.00 20.76 ? C5 THA A 999 1 -HETATM 4101 C C6 . THA B 2 . . 5.053 71.136 69.468 1.00 18.93 ? C6 THA A 999 1 -HETATM 4102 N N7 . THA B 2 . . 6.068 70.236 65.585 1.00 21.62 ? N7 THA A 999 1 -HETATM 4103 C C8 . THA B 2 . . 5.207 69.821 64.683 1.00 20.49 ? C8 THA A 999 1 -HETATM 4104 C C9 . THA B 2 . . 3.833 69.634 64.995 1.00 19.83 ? C9 THA A 999 1 -HETATM 4105 C C10 . THA B 2 . . 3.396 69.933 66.309 1.00 17.75 ? C10 THA A 999 1 -HETATM 4106 C C11 . THA B 2 . . 5.776 69.459 63.289 1.00 18.3 ? C11 THA A 999 1 -HETATM 4107 C C12 . THA B 2 . . 4.736 69.363 62.145 1.00 20.27 ? C12 THA A 999 1 -HETATM 4108 C C13 . THA B 2 . . 3.515 68.540 62.597 1.00 19.36 ? C13 THA A 999 1 -HETATM 4109 C C14 . THA B 2 . . 2.860 69.177 63.848 1.00 21.42 ? C14 THA A 999 1 -HETATM 4110 N N15 . THA B 2 . . 2.092 69.798 66.625 1.00 20.69 ? N15 THA A 999 1 -HETATM 4111 O O . HOH C 3 . . 21.436 52.967 54.670 1.00 16.26 ? O HOH A 601 1 -HETATM 4112 O O . HOH C 3 . . -9.713 62.939 60.080 1.00 9.25 ? O HOH A 602 1 -HETATM 4113 O O . HOH C 3 . . 24.198 67.851 85.549 1.00 70.2 ? O HOH A 603 1 -HETATM 4114 O O . HOH C 3 . . 3.897 69.768 58.109 1.00 2 ? O HOH A 604 1 -HETATM 4115 O O . HOH C 3 . . -1.728 70.694 53.271 1.00 6.67 ? O HOH A 605 1 -HETATM 4116 O O . HOH C 3 . . -14.301 59.527 57.034 1.00 6.46 ? O HOH A 606 1 -HETATM 4117 O O . HOH C 3 . . -2.078 69.350 67.406 1.00 12.08 ? O HOH A 607 1 -HETATM 4118 O O . HOH C 3 . . -6.865 62.657 65.578 1.00 12.95 ? O HOH A 608 1 -HETATM 4119 O O . HOH C 3 . . 0.027 70.297 60.632 1.00 6.46 ? O HOH A 609 1 -HETATM 4120 O O . HOH C 3 . . -3.893 52.228 41.330 1.00 39.68 ? O HOH A 610 1 -HETATM 4121 O O . HOH C 3 . . 7.233 80.005 68.092 1.00 36.26 ? O HOH A 611 1 -HETATM 4122 O O . HOH C 3 . . 24.646 60.791 40.027 1.00 18.08 ? O HOH A 612 1 -HETATM 4123 O O . HOH C 3 . . 21.313 59.198 38.314 1.00 36.84 ? O HOH A 613 1 -HETATM 4124 O O . HOH C 3 . . -0.421 64.062 59.320 1.00 12.5 ? O HOH A 614 1 -HETATM 4125 O O . HOH C 3 . . 0.001 83.914 58.002 1.00 43.23 ? O HOH A 615 1 -HETATM 4126 O O . HOH C 3 . . -0.460 66.877 69.033 1.00 36.24 ? O HOH A 616 1 -HETATM 4127 O O . HOH C 3 . . 2.101 41.668 61.980 1.00 40.25 ? O HOH A 617 1 -HETATM 4128 O O . HOH C 3 . . 10.934 56.303 68.662 1.00 12.08 ? O HOH A 618 1 -HETATM 4129 O O . HOH C 3 . . 2.682 81.870 62.939 1.00 32.61 ? O HOH A 619 1 -HETATM 4130 O O . HOH C 3 . . 3.300 53.939 63.596 1.00 18.53 ? O HOH A 620 1 -HETATM 4131 O O . HOH C 3 . . 10.421 48.537 38.102 1.00 64.57 ? O HOH A 621 1 -HETATM 4132 O O . HOH C 3 . . 18.266 72.459 85.879 1.00 58.97 ? O HOH A 622 1 -HETATM 4133 O O . HOH C 3 . . -1.187 96.318 44.308 1.00 54.71 ? O HOH A 623 1 -HETATM 4134 O O . HOH C 3 . . 10.416 69.328 59.826 1.00 5.83 ? O HOH A 624 1 -HETATM 4135 O O . HOH C 3 . . -12.114 68.571 37.502 1.00 32.99 ? O HOH A 625 1 -HETATM 4136 O O . HOH C 3 . . -6.304 61.451 71.954 1.00 42.24 ? O HOH A 626 1 -HETATM 4137 O O . HOH C 3 . . -6.447 50.296 61.416 1.00 10.24 ? O HOH A 627 1 -HETATM 4138 O O . HOH C 3 . . 2.152 63.062 72.710 1.00 61.59 ? O HOH A 628 1 -HETATM 4139 O O . HOH C 3 . . 31.963 66.709 56.534 1.00 16.65 ? O HOH A 629 1 -HETATM 4140 O O . HOH C 3 . . 9.379 58.011 85.633 1.00 44.47 ? O HOH A 630 1 -HETATM 4141 O O . HOH C 3 . . -7.920 58.968 44.298 1.00 42.11 ? O HOH A 631 1 -HETATM 4142 O O . HOH C 3 . . 9.288 57.159 35.791 1.00 36.44 ? O HOH A 632 1 -HETATM 4143 O O . HOH C 3 . . -3.902 51.644 60.543 1.00 9.44 ? O HOH A 633 1 -HETATM 4144 O O . HOH C 3 . . -0.179 69.329 64.529 1.00 24.06 ? O HOH A 634 1 -HETATM 4145 O O . HOH C 3 . . 12.302 66.886 33.785 1.00 33.25 ? O HOH A 635 1 -HETATM 4146 O O . HOH C 3 . . -0.829 58.797 69.112 1.00 22.6 ? O HOH A 636 1 -HETATM 4147 O O . HOH C 3 . . 5.229 58.019 35.824 1.00 20.86 ? O HOH A 637 1 -HETATM 4148 O O . HOH C 3 . . 6.341 81.499 64.810 1.00 23.9 ? O HOH A 638 1 -HETATM 4149 O O . HOH C 3 . . -12.258 64.448 59.540 1.00 42.34 ? O HOH A 639 1 -HETATM 4150 O O . HOH C 3 . . 7.609 52.533 56.827 1.00 30.17 ? O HOH A 640 1 -HETATM 4151 O O . HOH C 3 . . 24.358 57.909 56.015 1.00 36.95 ? O HOH A 641 1 -HETATM 4152 O O . HOH C 3 . . 5.862 63.777 80.088 1.00 61.65 ? O HOH A 642 1 -HETATM 4153 O O . HOH C 3 . . 0.529 71.248 68.951 1.00 20.34 ? O HOH A 643 1 -HETATM 4154 O O . HOH C 3 . . 11.370 63.907 35.699 1.00 19.83 ? O HOH A 644 1 -HETATM 4155 O O . HOH C 3 . . 2.328 91.164 54.939 1.00 13.04 ? O HOH A 645 1 -HETATM 4156 O O . HOH C 3 . . -15.401 67.703 52.231 1.00 24.77 ? O HOH A 646 1 -HETATM 4157 O O . HOH C 3 . . -2.176 79.106 62.623 1.00 32.03 ? O HOH A 647 1 -HETATM 4158 O O . HOH C 3 . . 25.329 55.453 53.425 1.00 40.01 ? O HOH A 648 1 -HETATM 4159 O O . HOH C 3 . . 25.021 64.798 35.997 1.00 30.72 ? O HOH A 649 1 -HETATM 4160 O O . HOH C 3 . . 13.669 47.295 59.660 1.00 45.32 ? O HOH A 650 1 -HETATM 4161 O O . HOH C 3 . . -13.244 50.312 44.199 1.00 54.67 ? O HOH A 651 1 -HETATM 4162 O O . HOH C 3 . . 3.242 83.352 32.284 1.00 34.21 ? O HOH A 652 1 -HETATM 4163 O O . HOH C 3 . . -5.381 58.887 37.832 1.00 40.03 ? O HOH A 653 1 -HETATM 4164 O O . HOH C 3 . . 12.644 49.806 33.065 1.00 51.32 ? O HOH A 654 1 -HETATM 4165 O O . HOH C 3 . . 7.810 76.268 61.395 1.00 50.53 ? O HOH A 655 1 -HETATM 4166 O O . HOH C 3 . . -0.969 59.532 33.421 1.00 25.89 ? O HOH A 656 1 -HETATM 4167 O O . HOH C 3 . . -14.849 67.281 39.525 1.00 42.11 ? O HOH A 657 1 -HETATM 4168 O O . HOH C 3 . . -18.694 86.088 50.675 1.00 47.8 ? O HOH A 658 1 -HETATM 4169 O O . HOH C 3 . . -15.520 83.163 31.580 1.00 47.06 ? O HOH A 659 1 -HETATM 4170 O O . HOH C 3 . . 21.328 50.999 53.078 1.00 17.17 ? O HOH A 660 1 -HETATM 4171 O O . HOH C 3 . . 18.419 92.769 62.731 1.00 36.34 ? O HOH A 661 1 -HETATM 4172 O O . HOH C 3 . . 29.951 58.597 85.155 1.00 72.74 ? O HOH A 662 1 -HETATM 4173 O O . HOH C 3 . . 20.915 62.497 36.857 1.00 27.46 ? O HOH A 663 1 -HETATM 4174 O O . HOH C 3 . . 23.889 59.314 35.821 1.00 40.76 ? O HOH A 664 1 -HETATM 4175 O O . HOH C 3 . . -0.387 90.815 55.611 1.00 41.4 ? O HOH A 665 1 -HETATM 4176 O O . HOH C 3 . . 4.850 58.304 76.420 1.00 53.69 ? O HOH A 666 1 -HETATM 4177 O O . HOH C 3 . . 19.660 62.741 32.748 1.00 83.14 ? O HOH A 667 1 -HETATM 4178 O O . HOH C 3 . . -19.347 84.392 54.165 1.00 37.79 ? O HOH A 668 1 -HETATM 4179 O O . HOH C 3 . . 11.705 50.605 81.909 1.00 43.68 ? O HOH A 669 1 -HETATM 4180 O O . HOH C 3 . . 13.043 77.224 85.640 1.00 50.32 ? O HOH A 670 1 -HETATM 4181 O O . HOH C 3 . . 32.987 69.879 57.554 1.00 28.33 ? O HOH A 671 1 -HETATM 4182 O O . HOH C 3 . . 22.971 53.558 52.370 1.00 84.49 ? O HOH A 672 1 -HETATM 4183 O O . HOH C 3 . . 15.230 62.617 89.723 1.00 55.09 ? O HOH A 673 1 -HETATM 4184 O O . HOH C 3 . . 8.378 94.303 47.727 1.00 56.64 ? O HOH A 674 1 -HETATM 4185 O O . HOH C 3 . . -21.202 67.831 58.722 1.00 68.4 ? O HOH A 675 1 -HETATM 4186 O O . HOH C 3 . . -11.439 84.351 57.579 1.00 46.3 ? O HOH A 676 1 -HETATM 4187 O O . HOH C 3 . . 16.299 59.930 32.317 1.00 40.67 ? O HOH A 677 1 -HETATM 4188 O O . HOH C 3 . . 3.879 46.681 60.148 1.00 67.54 ? O HOH A 678 1 -HETATM 4189 O O . HOH C 3 . . 17.253 64.097 87.165 1.00 52.19 ? O HOH A 679 1 -HETATM 4190 O O . HOH C 3 . . 19.551 31.826 68.006 1.00 39.5 ? O HOH A 680 1 -HETATM 4191 O O . HOH C 3 . . 23.095 67.354 48.330 1.00 12.96 ? O HOH A 681 1 -HETATM 4192 O O . HOH C 3 . . -13.326 47.816 47.354 1.00 46.29 ? O HOH A 682 1 +ATOM 1 N N SER 4 . . A 1 -12.503 89.084 35.130 1.00 66.28 ? N SER 4 A 1 +ATOM 2 C CA SER 4 . . A 1 -12.189 87.877 35.866 1.00 63.52 ? CA SER 4 A 1 +ATOM 3 C C SER 4 . . A 1 -11.066 88.196 36.842 1.00 59.52 ? C SER 4 A 1 +ATOM 4 O O SER 4 . . A 1 -11.260 89.101 37.633 1.00 57.7 ? O SER 4 A 1 +ATOM 5 C CB SER 4 . . A 1 -12.025 86.720 34.856 1.00 67.07 ? CB SER 4 A 1 +ATOM 6 O OG SER 4 . . A 1 -13.195 86.792 34.018 1.00 70.02 ? OG SER 4 A 1 +ATOM 7 N N GLU 5 . . A 1 -9.920 87.515 36.768 1.00 54.99 ? N GLU 5 A 1 +ATOM 8 C CA GLU 5 . . A 1 -8.763 87.673 37.662 1.00 47.42 ? CA GLU 5 A 1 +ATOM 9 C C GLU 5 . . A 1 -9.082 86.841 38.872 1.00 43.05 ? C GLU 5 A 1 +ATOM 10 O O GLU 5 . . A 1 -8.332 85.956 39.236 1.00 44.4 ? O GLU 5 A 1 +ATOM 11 C CB GLU 5 . . A 1 -8.315 89.106 38.012 1.00 47.14 ? CB GLU 5 A 1 +ATOM 12 C CG GLU 5 . . A 1 -7.047 89.190 38.917 1.00 51.13 ? CG GLU 5 A 1 +ATOM 13 C CD GLU 5 . . A 1 -5.714 88.670 38.353 1.00 52.76 ? CD GLU 5 A 1 +ATOM 14 O OE1 GLU 5 . . A 1 -5.502 88.765 37.150 1.00 54.93 ? OE1 GLU 5 A 1 +ATOM 15 O OE2 GLU 5 . . A 1 -4.880 88.179 39.122 1.00 56.48 ? OE2 GLU 5 A 1 +ATOM 16 N N LEU 6 . . A 1 -10.253 87.138 39.444 1.00 36.79 ? N LEU 6 A 1 +ATOM 17 C CA LEU 6 . . A 1 -10.748 86.426 40.612 1.00 32.75 ? CA LEU 6 A 1 +ATOM 18 C C LEU 6 . . A 1 -11.840 85.431 40.295 1.00 33.35 ? C LEU 6 A 1 +ATOM 19 O O LEU 6 . . A 1 -12.296 84.700 41.162 1.00 35.53 ? O LEU 6 A 1 +ATOM 20 C CB LEU 6 . . A 1 -11.321 87.429 41.633 1.00 28.61 ? CB LEU 6 A 1 +ATOM 21 C CG LEU 6 . . A 1 -10.276 87.885 42.667 1.00 29.95 ? CG LEU 6 A 1 +ATOM 22 C CD1 LEU 6 . . A 1 -9.060 88.579 42.040 1.00 28.52 ? CD1 LEU 6 A 1 +ATOM 23 C CD2 LEU 6 . . A 1 -10.937 88.762 43.732 1.00 28.46 ? CD2 LEU 6 A 1 +ATOM 24 N N LEU 7 . . A 1 -12.302 85.444 39.053 1.00 33.35 ? N LEU 7 A 1 +ATOM 25 C CA LEU 7 . . A 1 -13.363 84.515 38.679 1.00 33.07 ? CA LEU 7 A 1 +ATOM 26 C C LEU 7 . . A 1 -12.689 83.488 37.822 1.00 32.11 ? C LEU 7 A 1 +ATOM 27 O O LEU 7 . . A 1 -12.018 83.906 36.874 1.00 36.48 ? O LEU 7 A 1 +ATOM 28 C CB LEU 7 . . A 1 -14.409 85.233 37.811 1.00 33.65 ? CB LEU 7 A 1 +ATOM 29 C CG LEU 7 . . A 1 -15.741 84.489 37.662 1.00 33.73 ? CG LEU 7 A 1 +ATOM 30 C CD1 LEU 7 . . A 1 -15.669 83.103 37.017 1.00 34.68 ? CD1 LEU 7 A 1 +ATOM 31 C CD2 LEU 7 . . A 1 -16.471 84.394 38.993 1.00 34.9 ? CD2 LEU 7 A 1 +ATOM 32 N N VAL 8 . . A 1 -12.856 82.204 38.136 1.00 24.81 ? N VAL 8 A 1 +ATOM 33 C CA VAL 8 . . A 1 -12.232 81.181 37.334 1.00 21.36 ? CA VAL 8 A 1 +ATOM 34 C C VAL 8 . . A 1 -13.261 80.103 37.069 1.00 25.4 ? C VAL 8 A 1 +ATOM 35 O O VAL 8 . . A 1 -14.082 79.793 37.921 1.00 27.94 ? O VAL 8 A 1 +ATOM 36 C CB VAL 8 . . A 1 -11.015 80.653 38.107 1.00 15.33 ? CB VAL 8 A 1 +ATOM 37 C CG1 VAL 8 . . A 1 -10.339 79.451 37.430 1.00 17.12 ? CG1 VAL 8 A 1 +ATOM 38 C CG2 VAL 8 . . A 1 -9.983 81.780 38.306 1.00 14.32 ? CG2 VAL 8 A 1 +ATOM 39 N N ASN 9 . . A 1 -13.228 79.552 35.849 1.00 29.47 ? N ASN 9 A 1 +ATOM 40 C CA ASN 9 . . A 1 -14.133 78.459 35.493 1.00 33.22 ? CA ASN 9 A 1 +ATOM 41 C C ASN 9 . . A 1 -13.227 77.276 35.611 1.00 34.13 ? C ASN 9 A 1 +ATOM 42 O O ASN 9 . . A 1 -12.125 77.308 35.074 1.00 35.41 ? O ASN 9 A 1 +ATOM 43 C CB ASN 9 . . A 1 -14.555 78.386 34.013 1.00 38.11 ? CB ASN 9 A 1 +ATOM 44 C CG ASN 9 . . A 1 -15.552 79.424 33.597 1.00 42.62 ? CG ASN 9 A 1 +ATOM 45 O OD1 ASN 9 . . A 1 -16.720 79.332 33.924 1.00 48.35 ? OD1 ASN 9 A 1 +ATOM 46 N ND2 ASN 9 . . A 1 -15.081 80.421 32.850 1.00 41.34 ? ND2 ASN 9 A 1 +ATOM 47 N N THR 10 . . A 1 -13.656 76.260 36.320 1.00 33.2 ? N THR 10 A 1 +ATOM 48 C CA THR 10 . . A 1 -12.829 75.086 36.438 1.00 30.23 ? CA THR 10 A 1 +ATOM 49 C C THR 10 . . A 1 -13.712 74.031 35.844 1.00 31.69 ? C THR 10 A 1 +ATOM 50 O O THR 10 . . A 1 -14.915 74.252 35.715 1.00 35.98 ? O THR 10 A 1 +ATOM 51 C CB THR 10 . . A 1 -12.478 74.820 37.913 1.00 27.41 ? CB THR 10 A 1 +ATOM 52 O OG1 THR 10 . . A 1 -13.619 74.419 38.674 1.00 24.65 ? OG1 THR 10 A 1 +ATOM 53 C CG2 THR 10 . . A 1 -11.894 76.058 38.615 1.00 27.48 ? CG2 THR 10 A 1 +ATOM 54 N N LYS 11 . . A 1 -13.156 72.866 35.542 1.00 27.84 ? N LYS 11 A 1 +ATOM 55 C CA LYS 11 . . A 1 -14.023 71.850 34.980 1.00 24.67 ? CA LYS 11 A 1 +ATOM 56 C C LYS 11 . . A 1 -15.154 71.440 35.929 1.00 24.68 ? C LYS 11 A 1 +ATOM 57 O O LYS 11 . . A 1 -16.072 70.775 35.486 1.00 27.54 ? O LYS 11 A 1 +ATOM 58 C CB LYS 11 . . A 1 -13.208 70.653 34.493 1.00 17.2 ? CB LYS 11 A 1 +ATOM 59 C CG LYS 11 . . A 1 -12.087 71.099 33.547 1.00 14.65 ? CG LYS 11 A 1 +ATOM 60 C CD LYS 11 . . A 1 -11.250 69.939 33.014 1.00 16.35 ? CD LYS 11 A 1 +ATOM 61 C CE LYS 11 . . A 1 -9.911 70.312 32.358 1.00 19.73 ? CE LYS 11 A 1 +ATOM 62 N NZ LYS 11 . . A 1 -9.107 69.103 32.179 1.00 22.74 ? NZ LYS 11 A 1 +ATOM 63 N N SER 12 . . A 1 -15.078 71.792 37.231 1.00 27.83 ? N SER 12 A 1 +ATOM 64 C CA SER 12 . . A 1 -16.163 71.425 38.154 1.00 28.06 ? CA SER 12 A 1 +ATOM 65 C C SER 12 . . A 1 -17.186 72.558 38.349 1.00 29.85 ? C SER 12 A 1 +ATOM 66 O O SER 12 . . A 1 -18.303 72.296 38.787 1.00 26.76 ? O SER 12 A 1 +ATOM 67 C CB SER 12 . . A 1 -15.645 71.067 39.569 1.00 28.31 ? CB SER 12 A 1 +ATOM 68 O OG SER 12 . . A 1 -14.456 70.262 39.614 1.00 28.89 ? OG SER 12 A 1 +ATOM 69 N N GLY 13 . . A 1 -16.789 73.809 38.067 1.00 27.92 ? N GLY 13 A 1 +ATOM 70 C CA GLY 13 . . A 1 -17.743 74.889 38.268 1.00 30.42 ? CA GLY 13 A 1 +ATOM 71 C C GLY 13 . . A 1 -16.970 76.173 38.361 1.00 32.86 ? C GLY 13 A 1 +ATOM 72 O O GLY 13 . . A 1 -15.750 76.147 38.199 1.00 31.43 ? O GLY 13 A 1 +ATOM 73 N N LYS 14 . . A 1 -17.661 77.300 38.603 1.00 34.06 ? N LYS 14 A 1 +ATOM 74 C CA LYS 14 . . A 1 -16.946 78.577 38.695 1.00 35.67 ? CA LYS 14 A 1 +ATOM 75 C C LYS 14 . . A 1 -16.546 78.847 40.127 1.00 34.96 ? C LYS 14 A 1 +ATOM 76 O O LYS 14 . . A 1 -17.215 78.370 41.034 1.00 34.65 ? O LYS 14 A 1 +ATOM 77 C CB LYS 14 . . A 1 -17.839 79.721 38.192 1.00 38.99 ? CB LYS 14 A 1 +ATOM 78 C CG LYS 14 . . A 1 -17.873 79.759 36.661 1.00 47.77 ? CG LYS 14 A 1 +ATOM 79 C CD LYS 14 . . A 1 -18.766 80.858 36.070 1.00 55.48 ? CD LYS 14 A 1 +ATOM 80 C CE LYS 14 . . A 1 -20.267 80.650 36.336 1.00 64.81 ? CE LYS 14 A 1 +ATOM 81 N NZ LYS 14 . . A 1 -20.749 79.427 35.705 1.00 71 ? NZ LYS 14 A 1 +ATOM 82 N N VAL 15 . . A 1 -15.479 79.629 40.328 1.00 34.04 ? N VAL 15 A 1 +ATOM 83 C CA VAL 15 . . A 1 -15.026 79.952 41.667 1.00 32.93 ? CA VAL 15 A 1 +ATOM 84 C C VAL 15 . . A 1 -14.591 81.417 41.683 1.00 34.62 ? C VAL 15 A 1 +ATOM 85 O O VAL 15 . . A 1 -13.953 81.902 40.751 1.00 29.89 ? O VAL 15 A 1 +ATOM 86 C CB VAL 15 . . A 1 -13.875 79.002 42.098 1.00 29.03 ? CB VAL 15 A 1 +ATOM 87 C CG1 VAL 15 . . A 1 -14.269 77.516 42.075 1.00 29.98 ? CG1 VAL 15 A 1 +ATOM 88 C CG2 VAL 15 . . A 1 -12.622 79.141 41.229 1.00 31.49 ? CG2 VAL 15 A 1 +ATOM 89 N N MET 16 . . A 1 -14.981 82.082 42.777 1.00 37.7 ? N MET 16 A 1 +ATOM 90 C CA MET 16 . . A 1 -14.696 83.486 43.083 1.00 39.31 ? CA MET 16 A 1 +ATOM 91 C C MET 16 . . A 1 -13.672 83.472 44.208 1.00 37.45 ? C MET 16 A 1 +ATOM 92 O O MET 16 . . A 1 -13.922 82.839 45.227 1.00 37.64 ? O MET 16 A 1 +ATOM 93 C CB MET 16 . . A 1 -15.964 84.164 43.671 1.00 43.76 ? CB MET 16 A 1 +ATOM 94 C CG MET 16 . . A 1 -16.786 84.967 42.656 1.00 51.8 ? CG MET 16 A 1 +ATOM 95 S SD MET 16 . . A 1 -15.852 86.472 42.182 1.00 59.52 ? SD MET 16 A 1 +ATOM 96 C CE MET 16 . . A 1 -16.117 87.473 43.685 1.00 62.28 ? CE MET 16 A 1 +ATOM 97 N N GLY 17 . . A 1 -12.555 84.166 44.044 1.00 35.12 ? N GLY 17 A 1 +ATOM 98 C CA GLY 17 . . A 1 -11.542 84.181 45.098 1.00 31.94 ? CA GLY 17 A 1 +ATOM 99 C C GLY 17 . . A 1 -11.538 85.515 45.789 1.00 29.25 ? C GLY 17 A 1 +ATOM 100 O O GLY 17 . . A 1 -12.538 86.225 45.821 1.00 29.77 ? O GLY 17 A 1 +ATOM 101 N N THR 18 . . A 1 -10.387 85.877 46.335 1.00 29.14 ? N THR 18 A 1 +ATOM 102 C CA THR 18 . . A 1 -10.240 87.143 47.021 1.00 32.39 ? CA THR 18 A 1 +ATOM 103 C C THR 18 . . A 1 -8.877 87.671 46.695 1.00 29.82 ? C THR 18 A 1 +ATOM 104 O O THR 18 . . A 1 -7.952 86.944 46.354 1.00 29.28 ? O THR 18 A 1 +ATOM 105 C CB THR 18 . . A 1 -10.270 86.929 48.552 1.00 38.14 ? CB THR 18 A 1 +ATOM 106 O OG1 THR 18 . . A 1 -11.384 86.119 48.917 1.00 42.11 ? OG1 THR 18 A 1 +ATOM 107 C CG2 THR 18 . . A 1 -10.355 88.216 49.399 1.00 41.82 ? CG2 THR 18 A 1 +ATOM 108 N N ARG 19 . . A 1 -8.772 88.981 46.807 1.00 28.01 ? N ARG 19 A 1 +ATOM 109 C CA ARG 19 . . A 1 -7.503 89.605 46.570 1.00 29.07 ? CA ARG 19 A 1 +ATOM 110 C C ARG 19 . . A 1 -6.948 89.704 47.989 1.00 30.93 ? C ARG 19 A 1 +ATOM 111 O O ARG 19 . . A 1 -7.634 90.258 48.842 1.00 35.56 ? O ARG 19 A 1 +ATOM 112 C CB ARG 19 . . A 1 -7.758 90.976 45.920 1.00 28.93 ? CB ARG 19 A 1 +ATOM 113 C CG ARG 19 . . A 1 -6.503 91.613 45.339 1.00 32.23 ? CG ARG 19 A 1 +ATOM 114 C CD ARG 19 . . A 1 -6.762 93.028 44.816 1.00 35.26 ? CD ARG 19 A 1 +ATOM 115 N N VAL 20 . . A 1 -5.760 89.164 48.263 1.00 30.18 ? N VAL 20 A 1 +ATOM 116 C CA VAL 20 . . A 1 -5.210 89.235 49.617 1.00 26.81 ? CA VAL 20 A 1 +ATOM 117 C C VAL 20 . . A 1 -3.984 90.126 49.576 1.00 28.42 ? C VAL 20 A 1 +ATOM 118 O O VAL 20 . . A 1 -3.243 90.053 48.604 1.00 28.65 ? O VAL 20 A 1 +ATOM 119 C CB VAL 20 . . A 1 -4.849 87.825 50.132 1.00 25.26 ? CB VAL 20 A 1 +ATOM 120 C CG1 VAL 20 . . A 1 -6.086 86.908 50.086 1.00 20.35 ? CG1 VAL 20 A 1 +ATOM 121 C CG2 VAL 20 . . A 1 -3.672 87.168 49.377 1.00 25.28 ? CG2 VAL 20 A 1 +ATOM 122 N N PRO 21 . . A 1 -3.764 90.961 50.603 1.00 29.36 ? N PRO 21 A 1 +ATOM 123 C CA PRO 21 . . A 1 -2.543 91.749 50.665 1.00 28.64 ? CA PRO 21 A 1 +ATOM 124 C C PRO 21 . . A 1 -1.347 90.886 50.931 1.00 28.38 ? C PRO 21 A 1 +ATOM 125 O O PRO 21 . . A 1 -1.405 89.986 51.758 1.00 29.32 ? O PRO 21 A 1 +ATOM 126 C CB PRO 21 . . A 1 -2.741 92.681 51.869 1.00 30.26 ? CB PRO 21 A 1 +ATOM 127 C CG PRO 21 . . A 1 -4.219 92.582 52.263 1.00 31.39 ? CG PRO 21 A 1 +ATOM 128 C CD PRO 21 . . A 1 -4.740 91.285 51.635 1.00 31.49 ? CD PRO 21 A 1 +ATOM 129 N N VAL 22 . . A 1 -0.249 91.183 50.261 1.00 29.82 ? N VAL 22 A 1 +ATOM 130 C CA VAL 22 . . A 1 0.960 90.419 50.471 1.00 31.13 ? CA VAL 22 A 1 +ATOM 131 C C VAL 22 . . A 1 2.012 91.460 50.498 1.00 34 ? C VAL 22 A 1 +ATOM 132 O O VAL 22 . . A 1 2.306 92.090 49.498 1.00 36.68 ? O VAL 22 A 1 +ATOM 133 C CB VAL 22 . . A 1 1.232 89.459 49.316 1.00 28.17 ? CB VAL 22 A 1 +ATOM 134 C CG1 VAL 22 . . A 1 2.433 88.577 49.605 1.00 27.98 ? CG1 VAL 22 A 1 +ATOM 135 C CG2 VAL 22 . . A 1 0.011 88.599 49.042 1.00 33 ? CG2 VAL 22 A 1 +ATOM 136 N N LEU 23 . . A 1 2.605 91.635 51.659 1.00 35.38 ? N LEU 23 A 1 +ATOM 137 C CA LEU 23 . . A 1 3.623 92.660 51.758 1.00 37.84 ? CA LEU 23 A 1 +ATOM 138 C C LEU 23 . . A 1 3.003 93.998 51.372 1.00 43.58 ? C LEU 23 A 1 +ATOM 139 O O LEU 23 . . A 1 2.056 94.464 51.991 1.00 47.15 ? O LEU 23 A 1 +ATOM 140 C CB LEU 23 . . A 1 4.926 92.342 51.009 1.00 34.91 ? CB LEU 23 A 1 +ATOM 141 C CG LEU 23 . . A 1 5.762 91.224 51.648 1.00 37.14 ? CG LEU 23 A 1 +ATOM 142 C CD1 LEU 23 . . A 1 5.306 89.823 51.252 1.00 37.74 ? CD1 LEU 23 A 1 +ATOM 143 C CD2 LEU 23 . . A 1 7.228 91.372 51.229 1.00 43.47 ? CD2 LEU 23 A 1 +ATOM 144 N N SER 24 . . A 1 3.546 94.547 50.304 1.00 45.59 ? N SER 24 A 1 +ATOM 145 C CA SER 24 . . A 1 3.151 95.833 49.783 1.00 47.78 ? CA SER 24 A 1 +ATOM 146 C C SER 24 . . A 1 2.170 95.764 48.633 1.00 46.42 ? C SER 24 A 1 +ATOM 147 O O SER 24 . . A 1 1.802 96.789 48.070 1.00 49.47 ? O SER 24 A 1 +ATOM 148 C CB SER 24 . . A 1 4.454 96.470 49.252 1.00 53.04 ? CB SER 24 A 1 +ATOM 149 O OG SER 24 . . A 1 5.276 95.514 48.535 1.00 56.67 ? OG SER 24 A 1 +ATOM 150 N N SER 25 . . A 1 1.764 94.551 48.285 1.00 43.6 ? N SER 25 A 1 +ATOM 151 C CA SER 25 . . A 1 0.900 94.351 47.149 1.00 41.55 ? CA SER 25 A 1 +ATOM 152 C C SER 25 . . A 1 -0.283 93.474 47.480 1.00 39.27 ? C SER 25 A 1 +ATOM 153 O O SER 25 . . A 1 -0.777 93.456 48.602 1.00 42.44 ? O SER 25 A 1 +ATOM 154 C CB SER 25 . . A 1 1.780 93.725 46.060 1.00 43.12 ? CB SER 25 A 1 +ATOM 155 O OG SER 25 . . A 1 3.058 94.368 46.008 1.00 49.23 ? OG SER 25 A 1 +ATOM 156 N N HIS 26 . . A 1 -0.731 92.728 46.465 1.00 35.32 ? N HIS 26 A 1 +ATOM 157 C CA HIS 26 . . A 1 -1.858 91.841 46.579 1.00 32.06 ? CA HIS 26 A 1 +ATOM 158 C C HIS 26 . . A 1 -1.588 90.547 45.794 1.00 29.59 ? C HIS 26 A 1 +ATOM 159 O O HIS 26 . . A 1 -0.578 90.415 45.113 1.00 31.42 ? O HIS 26 A 1 +ATOM 160 C CB HIS 26 . . A 1 -3.032 92.623 45.990 1.00 31.02 ? CB HIS 26 A 1 +ATOM 161 N N ILE 27 . . A 1 -2.509 89.600 45.908 1.00 21.5 ? N ILE 27 A 1 +ATOM 162 C CA ILE 27 . . A 1 -2.427 88.321 45.230 1.00 20.27 ? CA ILE 27 A 1 +ATOM 163 C C ILE 27 . . A 1 -3.851 87.860 45.203 1.00 21.51 ? C ILE 27 A 1 +ATOM 164 O O ILE 27 . . A 1 -4.717 88.495 45.793 1.00 19.8 ? O ILE 27 A 1 +ATOM 165 C CB ILE 27 . . A 1 -1.505 87.378 46.027 1.00 19.81 ? CB ILE 27 A 1 +ATOM 166 C CG1 ILE 27 . . A 1 -0.111 87.355 45.413 1.00 25.98 ? CG1 ILE 27 A 1 +ATOM 167 C CG2 ILE 27 . . A 1 -2.007 85.970 46.354 1.00 21.89 ? CG2 ILE 27 A 1 +ATOM 168 C CD1 ILE 27 . . A 1 0.663 86.040 45.648 1.00 33.64 ? CD1 ILE 27 A 1 +ATOM 169 N N SER 28 . . A 1 -4.094 86.767 44.510 1.00 21.19 ? N SER 28 A 1 +ATOM 170 C CA SER 28 . . A 1 -5.439 86.251 44.469 1.00 25.17 ? CA SER 28 A 1 +ATOM 171 C C SER 28 . . A 1 -5.369 85.028 45.334 1.00 25.66 ? C SER 28 A 1 +ATOM 172 O O SER 28 . . A 1 -4.345 84.353 45.388 1.00 30.04 ? O SER 28 A 1 +ATOM 173 C CB SER 28 . . A 1 -5.835 85.861 43.030 1.00 29.04 ? CB SER 28 A 1 +ATOM 174 O OG SER 28 . . A 1 -5.758 86.989 42.156 1.00 36.88 ? OG SER 28 A 1 +ATOM 175 N N ALA 29 . . A 1 -6.460 84.718 46.010 1.00 23.77 ? N ALA 29 A 1 +ATOM 176 C CA ALA 29 . . A 1 -6.460 83.548 46.848 1.00 21.82 ? CA ALA 29 A 1 +ATOM 177 C C ALA 29 . . A 1 -7.798 82.928 46.654 1.00 22.7 ? C ALA 29 A 1 +ATOM 178 O O ALA 29 . . A 1 -8.797 83.637 46.615 1.00 21.72 ? O ALA 29 A 1 +ATOM 179 C CB ALA 29 . . A 1 -6.325 83.972 48.315 1.00 24.17 ? CB ALA 29 A 1 +ATOM 180 N N PHE 30 . . A 1 -7.788 81.613 46.502 1.00 22.31 ? N PHE 30 A 1 +ATOM 181 C CA PHE 30 . . A 1 -9.018 80.867 46.330 1.00 23.55 ? CA PHE 30 A 1 +ATOM 182 C C PHE 30 . . A 1 -8.917 79.880 47.469 1.00 24.51 ? C PHE 30 A 1 +ATOM 183 O O PHE 30 . . A 1 -8.094 78.969 47.399 1.00 27.63 ? O PHE 30 A 1 +ATOM 184 C CB PHE 30 . . A 1 -9.061 80.119 44.960 1.00 25.71 ? CB PHE 30 A 1 +ATOM 185 C CG PHE 30 . . A 1 -9.027 81.019 43.728 1.00 21.98 ? CG PHE 30 A 1 +ATOM 186 C CD1 PHE 30 . . A 1 -7.797 81.505 43.221 1.00 18.64 ? CD1 PHE 30 A 1 +ATOM 187 C CD2 PHE 30 . . A 1 -10.233 81.399 43.094 1.00 19.09 ? CD2 PHE 30 A 1 +ATOM 188 C CE1 PHE 30 . . A 1 -7.779 82.375 42.119 1.00 16.13 ? CE1 PHE 30 A 1 +ATOM 189 C CE2 PHE 30 . . A 1 -10.221 82.265 41.995 1.00 12.59 ? CE2 PHE 30 A 1 +ATOM 190 C CZ PHE 30 . . A 1 -8.995 82.757 41.517 1.00 19.18 ? CZ PHE 30 A 1 +ATOM 191 N N LEU 31 . . A 1 -9.699 80.075 48.528 1.00 22.04 ? N LEU 31 A 1 +ATOM 192 C CA LEU 31 . . A 1 -9.615 79.160 49.663 1.00 18.95 ? CA LEU 31 A 1 +ATOM 193 C C LEU 31 . . A 1 -10.854 78.281 49.734 1.00 20.31 ? C LEU 31 A 1 +ATOM 194 O O LEU 31 . . A 1 -11.951 78.708 49.409 1.00 22.57 ? O LEU 31 A 1 +ATOM 195 C CB LEU 31 . . A 1 -9.615 79.944 50.992 1.00 15.9 ? CB LEU 31 A 1 +ATOM 196 C CG LEU 31 . . A 1 -8.438 80.872 51.338 1.00 10.17 ? CG LEU 31 A 1 +ATOM 197 C CD1 LEU 31 . . A 1 -7.296 80.912 50.334 1.00 9.79 ? CD1 LEU 31 A 1 +ATOM 198 C CD2 LEU 31 . . A 1 -8.958 82.277 51.614 1.00 7.92 ? CD2 LEU 31 A 1 +ATOM 199 N N GLY 32 . . A 1 -10.675 77.043 50.189 1.00 19.63 ? N GLY 32 A 1 +ATOM 200 C CA GLY 32 . . A 1 -11.825 76.159 50.338 1.00 17.79 ? CA GLY 32 A 1 +ATOM 201 C C GLY 32 . . A 1 -12.485 75.571 49.094 1.00 17.48 ? C GLY 32 A 1 +ATOM 202 O O GLY 32 . . A 1 -13.682 75.307 49.118 1.00 19.31 ? O GLY 32 A 1 +ATOM 203 N N ILE 33 . . A 1 -11.741 75.327 47.998 1.00 16.16 ? N ILE 33 A 1 +ATOM 204 C CA ILE 33 . . A 1 -12.403 74.743 46.822 1.00 12.47 ? CA ILE 33 A 1 +ATOM 205 C C ILE 33 . . A 1 -12.593 73.236 47.093 1.00 11.92 ? C ILE 33 A 1 +ATOM 206 O O ILE 33 . . A 1 -11.624 72.549 47.397 1.00 15.94 ? O ILE 33 A 1 +ATOM 207 C CB ILE 33 . . A 1 -11.539 74.952 45.567 1.00 9.82 ? CB ILE 33 A 1 +ATOM 208 C CG1 ILE 33 . . A 1 -11.207 76.435 45.302 1.00 9.7 ? CG1 ILE 33 A 1 +ATOM 209 C CG2 ILE 33 . . A 1 -12.199 74.334 44.332 1.00 11.4 ? CG2 ILE 33 A 1 +ATOM 210 C CD1 ILE 33 . . A 1 -10.035 76.570 44.319 1.00 10.55 ? CD1 ILE 33 A 1 +ATOM 211 N N PRO 34 . . A 1 -13.822 72.711 47.015 1.00 9.19 ? N PRO 34 A 1 +ATOM 212 C CA PRO 34 . . A 1 -14.031 71.303 47.350 1.00 12.31 ? CA PRO 34 A 1 +ATOM 213 C C PRO 34 . . A 1 -13.398 70.436 46.293 1.00 13.3 ? C PRO 34 A 1 +ATOM 214 O O PRO 34 . . A 1 -13.393 70.816 45.138 1.00 18.57 ? O PRO 34 A 1 +ATOM 215 C CB PRO 34 . . A 1 -15.562 71.124 47.334 1.00 8.07 ? CB PRO 34 A 1 +ATOM 216 C CG PRO 34 . . A 1 -16.099 72.321 46.537 1.00 5.81 ? CG PRO 34 A 1 +ATOM 217 C CD PRO 34 . . A 1 -15.028 73.419 46.629 1.00 7.7 ? CD PRO 34 A 1 +ATOM 218 N N PHE 35 . . A 1 -12.895 69.263 46.671 1.00 14.36 ? N PHE 35 A 1 +ATOM 219 C CA PHE 35 . . A 1 -12.300 68.406 45.655 1.00 9.91 ? CA PHE 35 A 1 +ATOM 220 C C PHE 35 . . A 1 -12.831 66.998 45.693 1.00 12.79 ? C PHE 35 A 1 +ATOM 221 O O PHE 35 . . A 1 -12.381 66.173 44.914 1.00 15.8 ? O PHE 35 A 1 +ATOM 222 C CB PHE 35 . . A 1 -10.776 68.408 45.715 1.00 11.07 ? CB PHE 35 A 1 +ATOM 223 C CG PHE 35 . . A 1 -10.152 67.808 46.961 1.00 17.39 ? CG PHE 35 A 1 +ATOM 224 C CD1 PHE 35 . . A 1 -10.133 66.414 47.151 1.00 16.8 ? CD1 PHE 35 A 1 +ATOM 225 C CD2 PHE 35 . . A 1 -9.518 68.631 47.914 1.00 19.76 ? CD2 PHE 35 A 1 +ATOM 226 C CE1 PHE 35 . . A 1 -9.469 65.840 48.245 1.00 18.35 ? CE1 PHE 35 A 1 +ATOM 227 C CE2 PHE 35 . . A 1 -8.852 68.058 49.009 1.00 19.78 ? CE2 PHE 35 A 1 +ATOM 228 C CZ PHE 35 . . A 1 -8.822 66.664 49.171 1.00 20.22 ? CZ PHE 35 A 1 +ATOM 229 N N ALA 36 . . A 1 -13.774 66.688 46.592 1.00 10.85 ? N ALA 36 A 1 +ATOM 230 C CA ALA 36 . . A 1 -14.325 65.340 46.667 1.00 8.56 ? CA ALA 36 A 1 +ATOM 231 C C ALA 36 . . A 1 -15.632 65.480 47.393 1.00 12.49 ? C ALA 36 A 1 +ATOM 232 O O ALA 36 . . A 1 -15.897 66.525 47.967 1.00 18.58 ? O ALA 36 A 1 +ATOM 233 C CB ALA 36 . . A 1 -13.386 64.415 47.425 1.00 6.98 ? CB ALA 36 A 1 +ATOM 234 N N GLU 37 . . A 1 -16.480 64.461 47.356 1.00 17.66 ? N GLU 37 A 1 +ATOM 235 C CA GLU 37 . . A 1 -17.760 64.582 48.069 1.00 21.71 ? CA GLU 37 A 1 +ATOM 236 C C GLU 37 . . A 1 -17.514 64.410 49.571 1.00 22.94 ? C GLU 37 A 1 +ATOM 237 O O GLU 37 . . A 1 -16.832 63.452 49.918 1.00 26.27 ? O GLU 37 A 1 +ATOM 238 C CB GLU 37 . . A 1 -18.750 63.467 47.648 1.00 23.74 ? CB GLU 37 A 1 +ATOM 239 C CG GLU 37 . . A 1 -19.328 63.616 46.228 1.00 27.33 ? CG GLU 37 A 1 +ATOM 240 C CD GLU 37 . . A 1 -20.406 64.704 46.157 1.00 31.25 ? CD GLU 37 A 1 +ATOM 241 O OE1 GLU 37 . . A 1 -21.535 64.424 46.561 1.00 34.04 ? OE1 GLU 37 A 1 +ATOM 242 O OE2 GLU 37 . . A 1 -20.126 65.817 45.704 1.00 30.36 ? OE2 GLU 37 A 1 +ATOM 243 N N PRO 38 . . A 1 -18.101 65.289 50.436 1.00 23.11 ? N PRO 38 A 1 +ATOM 244 C CA PRO 38 . . A 1 -17.897 65.221 51.887 1.00 17.99 ? CA PRO 38 A 1 +ATOM 245 C C PRO 38 . . A 1 -18.053 63.833 52.455 1.00 17.78 ? C PRO 38 A 1 +ATOM 246 O O PRO 38 . . A 1 -19.148 63.295 52.367 1.00 23.08 ? O PRO 38 A 1 +ATOM 247 C CB PRO 38 . . A 1 -18.999 66.109 52.467 1.00 15.25 ? CB PRO 38 A 1 +ATOM 248 C CG PRO 38 . . A 1 -19.381 67.077 51.348 1.00 21.82 ? CG PRO 38 A 1 +ATOM 249 C CD PRO 38 . . A 1 -19.040 66.343 50.042 1.00 25.22 ? CD PRO 38 A 1 +ATOM 250 N N PRO 39 . . A 1 -16.988 63.271 53.040 1.00 14.62 ? N PRO 39 A 1 +ATOM 251 C CA PRO 39 . . A 1 -17.013 61.878 53.449 1.00 14.68 ? CA PRO 39 A 1 +ATOM 252 C C PRO 39 . . A 1 -17.702 61.743 54.784 1.00 18.19 ? C PRO 39 A 1 +ATOM 253 O O PRO 39 . . A 1 -17.113 61.328 55.779 1.00 26.5 ? O PRO 39 A 1 +ATOM 254 C CB PRO 39 . . A 1 -15.525 61.549 53.563 1.00 12.52 ? CB PRO 39 A 1 +ATOM 255 C CG PRO 39 . . A 1 -14.860 62.880 53.931 1.00 13.31 ? CG PRO 39 A 1 +ATOM 256 C CD PRO 39 . . A 1 -15.722 63.950 53.278 1.00 10.24 ? CD PRO 39 A 1 +ATOM 257 N N VAL 40 . . A 1 -18.959 62.123 54.810 1.00 17.25 ? N VAL 40 A 1 +ATOM 258 C CA VAL 40 . . A 1 -19.699 62.057 56.038 1.00 17.22 ? CA VAL 40 A 1 +ATOM 259 C C VAL 40 . . A 1 -20.662 60.892 55.947 1.00 20.33 ? C VAL 40 A 1 +ATOM 260 O O VAL 40 . . A 1 -20.742 60.152 54.976 1.00 25.8 ? O VAL 40 A 1 +ATOM 261 C CB VAL 40 . . A 1 -20.370 63.440 56.216 1.00 15.36 ? CB VAL 40 A 1 +ATOM 262 C CG1 VAL 40 . . A 1 -19.347 64.601 56.138 1.00 6.48 ? CG1 VAL 40 A 1 +ATOM 263 C CG2 VAL 40 . . A 1 -21.509 63.677 55.208 1.00 18.85 ? CG2 VAL 40 A 1 +ATOM 264 N N GLY 41 . . A 1 -21.420 60.721 57.009 1.00 24.29 ? N GLY 41 A 1 +ATOM 265 C CA GLY 41 . . A 1 -22.414 59.661 57.013 1.00 25.93 ? CA GLY 41 A 1 +ATOM 266 C C GLY 41 . . A 1 -21.868 58.298 56.733 1.00 26.15 ? C GLY 41 A 1 +ATOM 267 O O GLY 41 . . A 1 -20.822 57.901 57.228 1.00 30.02 ? O GLY 41 A 1 +ATOM 268 N N ASN 42 . . A 1 -22.623 57.602 55.878 1.00 28.14 ? N ASN 42 A 1 +ATOM 269 C CA ASN 42 . . A 1 -22.273 56.252 55.477 1.00 31.52 ? CA ASN 42 A 1 +ATOM 270 C C ASN 42 . . A 1 -20.982 56.182 54.642 1.00 32.76 ? C ASN 42 A 1 +ATOM 271 O O ASN 42 . . A 1 -20.514 55.113 54.276 1.00 31.62 ? O ASN 42 A 1 +ATOM 272 C CB ASN 42 . . A 1 -23.492 55.583 54.843 1.00 29.49 ? CB ASN 42 A 1 +ATOM 273 N N MET 43 . . A 1 -20.390 57.351 54.357 1.00 33.93 ? N MET 43 A 1 +ATOM 274 C CA MET 43 . . A 1 -19.153 57.405 53.590 1.00 34.65 ? CA MET 43 A 1 +ATOM 275 C C MET 43 . . A 1 -17.935 57.446 54.473 1.00 33.26 ? C MET 43 A 1 +ATOM 276 O O MET 43 . . A 1 -16.805 57.433 53.997 1.00 34.27 ? O MET 43 A 1 +ATOM 277 C CB MET 43 . . A 1 -19.165 58.630 52.682 1.00 37.67 ? CB MET 43 A 1 +ATOM 278 C CG MET 43 . . A 1 -20.371 58.550 51.737 1.00 40.13 ? CG MET 43 A 1 +ATOM 279 S SD MET 43 . . A 1 -19.833 59.076 50.095 1.00 47.63 ? SD MET 43 A 1 +ATOM 280 C CE MET 43 . . A 1 -19.690 60.877 50.378 1.00 44.23 ? CE MET 43 A 1 +ATOM 281 N N ARG 44 . . A 1 -18.166 57.528 55.783 1.00 30.06 ? N ARG 44 A 1 +ATOM 282 C CA ARG 44 . . A 1 -17.026 57.556 56.677 1.00 26.22 ? CA ARG 44 A 1 +ATOM 283 C C ARG 44 . . A 1 -16.200 56.290 56.450 1.00 23.34 ? C ARG 44 A 1 +ATOM 284 O O ARG 44 . . A 1 -16.777 55.227 56.309 1.00 17.04 ? O ARG 44 A 1 +ATOM 285 C CB ARG 44 . . A 1 -17.503 57.608 58.154 1.00 26.73 ? CB ARG 44 A 1 +ATOM 286 C CG ARG 44 . . A 1 -16.350 57.879 59.143 1.00 24.95 ? CG ARG 44 A 1 +ATOM 287 C CD ARG 44 . . A 1 -16.741 57.776 60.605 1.00 19.41 ? CD ARG 44 A 1 +ATOM 288 N NE ARG 44 . . A 1 -17.507 58.934 61.005 1.00 20.92 ? NE ARG 44 A 1 +ATOM 289 C CZ ARG 44 . . A 1 -18.057 58.982 62.228 1.00 25.75 ? CZ ARG 44 A 1 +ATOM 290 N NH1 ARG 44 . . A 1 -17.995 57.949 63.063 1.00 20.03 ? NH1 ARG 44 A 1 +ATOM 291 N NH2 ARG 44 . . A 1 -18.688 60.079 62.620 1.00 28.74 ? NH2 ARG 44 A 1 +ATOM 292 N N PHE 45 . . A 1 -14.874 56.430 56.432 1.00 22.58 ? N PHE 45 A 1 +ATOM 293 C CA PHE 45 . . A 1 -13.973 55.303 56.241 1.00 24.6 ? CA PHE 45 A 1 +ATOM 294 C C PHE 45 . . A 1 -13.869 54.856 54.801 1.00 26.95 ? C PHE 45 A 1 +ATOM 295 O O PHE 45 . . A 1 -12.971 54.090 54.462 1.00 32.12 ? O PHE 45 A 1 +ATOM 296 C CB PHE 45 . . A 1 -14.279 54.062 57.117 1.00 24.86 ? CB PHE 45 A 1 +ATOM 297 C CG PHE 45 . . A 1 -14.422 54.432 58.584 1.00 31.63 ? CG PHE 45 A 1 +ATOM 298 C CD1 PHE 45 . . A 1 -13.381 55.119 59.260 1.00 29.49 ? CD1 PHE 45 A 1 +ATOM 299 C CD2 PHE 45 . . A 1 -15.605 54.120 59.289 1.00 29.74 ? CD2 PHE 45 A 1 +ATOM 300 C CE1 PHE 45 . . A 1 -13.531 55.500 60.597 1.00 26.98 ? CE1 PHE 45 A 1 +ATOM 301 C CE2 PHE 45 . . A 1 -15.744 54.500 60.630 1.00 28.3 ? CE2 PHE 45 A 1 +ATOM 302 C CZ PHE 45 . . A 1 -14.716 55.196 61.278 1.00 26.58 ? CZ PHE 45 A 1 +ATOM 303 N N ARG 46 . . A 1 -14.770 55.330 53.947 1.00 26.89 ? N ARG 46 A 1 +ATOM 304 C CA ARG 46 . . A 1 -14.704 54.881 52.560 1.00 25.38 ? CA ARG 46 A 1 +ATOM 305 C C ARG 46 . . A 1 -13.835 55.815 51.756 1.00 22.97 ? C ARG 46 A 1 +ATOM 306 O O ARG 46 . . A 1 -13.538 56.937 52.136 1.00 19.69 ? O ARG 46 A 1 +ATOM 307 C CB ARG 46 . . A 1 -16.095 54.907 51.956 1.00 30.17 ? CB ARG 46 A 1 +ATOM 308 C CG ARG 46 . . A 1 -16.952 53.785 52.545 1.00 36.6 ? CG ARG 46 A 1 +ATOM 309 C CD ARG 46 . . A 1 -18.289 53.639 51.817 1.00 45.15 ? CD ARG 46 A 1 +ATOM 310 N NE ARG 46 . . A 1 -18.359 52.390 51.078 1.00 50.41 ? NE ARG 46 A 1 +ATOM 311 N N ARG 47 . . A 1 -13.446 55.274 50.622 1.00 17.96 ? N ARG 47 A 1 +ATOM 312 C CA ARG 47 . . A 1 -12.572 56.029 49.722 1.00 13.93 ? CA ARG 47 A 1 +ATOM 313 C C ARG 47 . . A 1 -13.318 57.269 49.231 1.00 10.14 ? C ARG 47 A 1 +ATOM 314 O O ARG 47 . . A 1 -14.526 57.161 49.107 1.00 14.08 ? O ARG 47 A 1 +ATOM 315 C CB ARG 47 . . A 1 -12.068 55.222 48.516 1.00 16.88 ? CB ARG 47 A 1 +ATOM 316 C CG ARG 47 . . A 1 -12.371 53.729 48.484 1.00 22.12 ? CG ARG 47 A 1 +ATOM 317 C CD ARG 47 . . A 1 -11.133 52.923 47.979 1.00 23.05 ? CD ARG 47 A 1 +ATOM 318 N NE ARG 47 . . A 1 -11.447 51.504 47.852 0.06 15.19 ? NE ARG 47 A 1 +ATOM 319 C CZ ARG 47 . . A 1 -10.463 50.635 47.534 0.06 12.62 ? CZ ARG 47 A 1 +ATOM 320 N NH1 ARG 47 . . A 1 -9.186 50.983 47.289 0.06 11.23 ? NH1 ARG 47 A 1 +ATOM 321 N NH2 ARG 47 . . A 1 -10.897 49.352 47.483 0.06 10.41 ? NH2 ARG 47 A 1 +ATOM 322 N N PRO 48 . . A 1 -12.618 58.367 48.935 1.00 6.34 ? N PRO 48 A 1 +ATOM 323 C CA PRO 48 . . A 1 -13.323 59.597 48.534 1.00 11.93 ? CA PRO 48 A 1 +ATOM 324 C C PRO 48 . . A 1 -13.937 59.577 47.126 1.00 16.79 ? C PRO 48 A 1 +ATOM 325 O O PRO 48 . . A 1 -13.374 59.012 46.195 1.00 17.1 ? O PRO 48 A 1 +ATOM 326 C CB PRO 48 . . A 1 -12.224 60.664 48.594 1.00 8.51 ? CB PRO 48 A 1 +ATOM 327 C CG PRO 48 . . A 1 -10.920 59.881 48.407 1.00 8.25 ? CG PRO 48 A 1 +ATOM 328 C CD PRO 48 . . A 1 -11.171 58.513 49.037 1.00 5.71 ? CD PRO 48 A 1 +ATOM 329 N N GLU 49 . . A 1 -15.109 60.234 46.973 1.00 20.27 ? N GLU 49 A 1 +ATOM 330 C CA GLU 49 . . A 1 -15.726 60.303 45.642 1.00 20.95 ? CA GLU 49 A 1 +ATOM 331 C C GLU 49 . . A 1 -15.296 61.616 45.036 1.00 20.57 ? C GLU 49 A 1 +ATOM 332 O O GLU 49 . . A 1 -15.185 62.573 45.792 1.00 21.43 ? O GLU 49 A 1 +ATOM 333 C CB GLU 49 . . A 1 -17.264 60.383 45.663 1.00 27.74 ? CB GLU 49 A 1 +ATOM 334 C CG GLU 49 . . A 1 -17.958 59.115 46.176 1.00 37.97 ? CG GLU 49 A 1 +ATOM 335 C CD GLU 49 . . A 1 -19.473 59.230 46.012 1.00 42.75 ? CD GLU 49 A 1 +ATOM 336 O OE1 GLU 49 . . A 1 -20.030 60.296 46.295 1.00 47.09 ? OE1 GLU 49 A 1 +ATOM 337 O OE2 GLU 49 . . A 1 -20.092 58.250 45.598 1.00 49.76 ? OE2 GLU 49 A 1 +ATOM 338 N N PRO 50 . . A 1 -15.143 61.696 43.692 1.00 19.49 ? N PRO 50 A 1 +ATOM 339 C CA PRO 50 . . A 1 -14.871 62.976 43.054 1.00 17.83 ? CA PRO 50 A 1 +ATOM 340 C C PRO 50 . . A 1 -16.095 63.827 43.265 1.00 22.18 ? C PRO 50 A 1 +ATOM 341 O O PRO 50 . . A 1 -17.208 63.309 43.296 1.00 26.65 ? O PRO 50 A 1 +ATOM 342 C CB PRO 50 . . A 1 -14.564 62.647 41.609 1.00 18.41 ? CB PRO 50 A 1 +ATOM 343 C CG PRO 50 . . A 1 -14.684 61.118 41.449 1.00 22.2 ? CG PRO 50 A 1 +ATOM 344 C CD PRO 50 . . A 1 -15.207 60.570 42.775 1.00 20.22 ? CD PRO 50 A 1 +ATOM 345 N N LYS 51 . . A 1 -15.878 65.129 43.433 1.00 24.77 ? N LYS 51 A 1 +ATOM 346 C CA LYS 51 . . A 1 -17.011 65.994 43.725 1.00 29.54 ? CA LYS 51 A 1 +ATOM 347 C C LYS 51 . . A 1 -17.920 66.304 42.558 1.00 33.14 ? C LYS 51 A 1 +ATOM 348 O O LYS 51 . . A 1 -17.460 66.654 41.482 1.00 36.22 ? O LYS 51 A 1 +ATOM 349 C CB LYS 51 . . A 1 -16.494 67.315 44.305 1.00 30.84 ? CB LYS 51 A 1 +ATOM 350 C CG LYS 51 . . A 1 -17.438 67.930 45.350 1.00 29.1 ? CG LYS 51 A 1 +ATOM 351 C CD LYS 51 . . A 1 -17.954 69.297 44.917 1.00 32.33 ? CD LYS 51 A 1 +ATOM 352 C CE LYS 51 . . A 1 -18.780 70.023 45.989 1.00 37.69 ? CE LYS 51 A 1 +ATOM 353 N NZ LYS 51 . . A 1 -19.987 69.282 46.342 1.00 44.09 ? NZ LYS 51 A 1 +ATOM 354 N N LYS 52 . . A 1 -19.237 66.214 42.814 1.00 33.86 ? N LYS 52 A 1 +ATOM 355 C CA LYS 52 . . A 1 -20.193 66.535 41.757 1.00 34.64 ? CA LYS 52 A 1 +ATOM 356 C C LYS 52 . . A 1 -20.045 68.015 41.406 1.00 34.51 ? C LYS 52 A 1 +ATOM 357 O O LYS 52 . . A 1 -19.902 68.825 42.311 1.00 32.61 ? O LYS 52 A 1 +ATOM 358 C CB LYS 52 . . A 1 -21.631 66.295 42.230 1.00 38.77 ? CB LYS 52 A 1 +ATOM 359 C CG LYS 52 . . A 1 -21.923 64.811 42.475 1.00 43.55 ? CG LYS 52 A 1 +ATOM 360 C CD LYS 52 . . A 1 -23.163 64.610 43.356 1.00 47.58 ? CD LYS 52 A 1 +ATOM 361 C CE LYS 52 . . A 1 -23.393 63.127 43.700 1.00 52.94 ? CE LYS 52 A 1 +ATOM 362 N NZ LYS 52 . . A 1 -24.124 62.998 44.953 1.00 56.7 ? NZ LYS 52 A 1 +ATOM 363 N N PRO 53 . . A 1 -20.056 68.371 40.105 1.00 35.14 ? N PRO 53 A 1 +ATOM 364 C CA PRO 53 . . A 1 -19.880 69.766 39.752 1.00 35.65 ? CA PRO 53 A 1 +ATOM 365 C C PRO 53 . . A 1 -20.983 70.593 40.350 1.00 36.92 ? C PRO 53 A 1 +ATOM 366 O O PRO 53 . . A 1 -22.042 70.101 40.731 1.00 37.97 ? O PRO 53 A 1 +ATOM 367 C CB PRO 53 . . A 1 -19.919 69.766 38.220 1.00 34.28 ? CB PRO 53 A 1 +ATOM 368 C CG PRO 53 . . A 1 -19.604 68.327 37.802 1.00 32.67 ? CG PRO 53 A 1 +ATOM 369 C CD PRO 53 . . A 1 -20.125 67.473 38.956 1.00 33.93 ? CD PRO 53 A 1 +ATOM 370 N N TRP 54 . . A 1 -20.715 71.881 40.395 1.00 37.83 ? N TRP 54 A 1 +ATOM 371 C CA TRP 54 . . A 1 -21.704 72.773 40.948 1.00 37.84 ? CA TRP 54 A 1 +ATOM 372 C C TRP 54 . . A 1 -22.015 73.853 39.924 1.00 41.97 ? C TRP 54 A 1 +ATOM 373 O O TRP 54 . . A 1 -21.310 74.126 38.951 1.00 41.63 ? O TRP 54 A 1 +ATOM 374 C CB TRP 54 . . A 1 -21.223 73.316 42.315 1.00 30.12 ? CB TRP 54 A 1 +ATOM 375 C CG TRP 54 . . A 1 -19.918 74.055 42.160 1.00 17.64 ? CG TRP 54 A 1 +ATOM 376 C CD1 TRP 54 . . A 1 -19.780 75.404 41.755 1.00 17.68 ? CD1 TRP 54 A 1 +ATOM 377 C CD2 TRP 54 . . A 1 -18.631 73.527 42.308 1.00 15.11 ? CD2 TRP 54 A 1 +ATOM 378 N NE1 TRP 54 . . A 1 -18.473 75.731 41.635 1.00 18.46 ? NE1 TRP 54 A 1 +ATOM 379 C CE2 TRP 54 . . A 1 -17.707 74.634 41.955 1.00 16.29 ? CE2 TRP 54 A 1 +ATOM 380 C CE3 TRP 54 . . A 1 -18.123 72.274 42.655 1.00 9.58 ? CE3 TRP 54 A 1 +ATOM 381 C CZ2 TRP 54 . . A 1 -16.324 74.409 41.983 1.00 12.62 ? CZ2 TRP 54 A 1 +ATOM 382 C CZ3 TRP 54 . . A 1 -16.732 72.090 42.666 1.00 8.82 ? CZ3 TRP 54 A 1 +ATOM 383 C CH2 TRP 54 . . A 1 -15.847 73.138 42.342 1.00 11.55 ? CH2 TRP 54 A 1 +ATOM 384 N N SER 55 . . A 1 -23.157 74.468 40.195 1.00 46.06 ? N SER 55 A 1 +ATOM 385 C CA SER 55 . . A 1 -23.649 75.549 39.372 1.00 48.87 ? CA SER 55 A 1 +ATOM 386 C C SER 55 . . A 1 -23.364 76.787 40.199 1.00 47.85 ? C SER 55 A 1 +ATOM 387 O O SER 55 . . A 1 -23.043 76.715 41.382 1.00 46.18 ? O SER 55 A 1 +ATOM 388 C CB SER 55 . . A 1 -25.153 75.354 39.109 1.00 51.18 ? CB SER 55 A 1 +ATOM 389 O OG SER 55 . . A 1 -25.787 74.843 40.292 1.00 58.54 ? OG SER 55 A 1 +ATOM 390 N N GLY 56 . . A 1 -23.508 77.943 39.575 1.00 46.29 ? N GLY 56 A 1 +ATOM 391 C CA GLY 56 . . A 1 -23.243 79.120 40.376 1.00 46.52 ? CA GLY 56 A 1 +ATOM 392 C C GLY 56 . . A 1 -21.763 79.303 40.447 1.00 43.81 ? C GLY 56 A 1 +ATOM 393 O O GLY 56 . . A 1 -21.016 78.780 39.623 1.00 46.74 ? O GLY 56 A 1 +ATOM 394 N N VAL 57 . . A 1 -21.377 80.089 41.434 1.00 39.39 ? N VAL 57 A 1 +ATOM 395 C CA VAL 57 . . A 1 -19.994 80.367 41.663 1.00 35.44 ? CA VAL 57 A 1 +ATOM 396 C C VAL 57 . . A 1 -19.775 79.847 43.070 1.00 38.08 ? C VAL 57 A 1 +ATOM 397 O O VAL 57 . . A 1 -20.596 80.025 43.964 1.00 37.4 ? O VAL 57 A 1 +ATOM 398 C CB VAL 57 . . A 1 -19.733 81.891 41.571 1.00 29.31 ? CB VAL 57 A 1 +ATOM 399 C CG1 VAL 57 . . A 1 -18.822 82.249 40.414 1.00 29.88 ? CG1 VAL 57 A 1 +ATOM 400 C CG2 VAL 57 . . A 1 -21.016 82.725 41.454 1.00 35.24 ? CG2 VAL 57 A 1 +ATOM 401 N N TRP 58 . . A 1 -18.641 79.180 43.258 1.00 38.8 ? N TRP 58 A 1 +ATOM 402 C CA TRP 58 . . A 1 -18.314 78.692 44.572 1.00 34.49 ? CA TRP 58 A 1 +ATOM 403 C C TRP 58 . . A 1 -17.604 79.887 45.168 1.00 35.37 ? C TRP 58 A 1 +ATOM 404 O O TRP 58 . . A 1 -16.763 80.508 44.513 1.00 36.57 ? O TRP 58 A 1 +ATOM 405 C CB TRP 58 . . A 1 -17.320 77.542 44.483 1.00 32.34 ? CB TRP 58 A 1 +ATOM 406 C CG TRP 58 . . A 1 -17.216 76.872 45.822 1.00 33.36 ? CG TRP 58 A 1 +ATOM 407 C CD1 TRP 58 . . A 1 -16.307 77.208 46.851 1.00 30.36 ? CD1 TRP 58 A 1 +ATOM 408 C CD2 TRP 58 . . A 1 -18.023 75.828 46.280 1.00 30.42 ? CD2 TRP 58 A 1 +ATOM 409 N NE1 TRP 58 . . A 1 -16.530 76.417 47.920 1.00 30.04 ? NE1 TRP 58 A 1 +ATOM 410 C CE2 TRP 58 . . A 1 -17.560 75.553 47.647 1.00 28.9 ? CE2 TRP 58 A 1 +ATOM 411 C CE3 TRP 58 . . A 1 -19.060 75.079 45.722 1.00 32.78 ? CE3 TRP 58 A 1 +ATOM 412 C CZ2 TRP 58 . . A 1 -18.195 74.553 48.389 1.00 30.89 ? CZ2 TRP 58 A 1 +ATOM 413 C CZ3 TRP 58 . . A 1 -19.668 74.071 46.487 1.00 34.22 ? CZ3 TRP 58 A 1 +ATOM 414 C CH2 TRP 58 . . A 1 -19.244 73.819 47.804 1.00 35.78 ? CH2 TRP 58 A 1 +ATOM 415 N N ASN 59 . . A 1 -17.961 80.227 46.395 1.00 34.61 ? N ASN 59 A 1 +ATOM 416 C CA ASN 59 . . A 1 -17.306 81.370 47.007 1.00 32.65 ? CA ASN 59 A 1 +ATOM 417 C C ASN 59 . . A 1 -16.065 80.811 47.645 1.00 30.32 ? C ASN 59 A 1 +ATOM 418 O O ASN 59 . . A 1 -16.183 79.977 48.525 1.00 33.22 ? O ASN 59 A 1 +ATOM 419 C CB ASN 59 . . A 1 -18.226 81.979 48.075 1.00 37.84 ? CB ASN 59 A 1 +ATOM 420 C CG ASN 59 . . A 1 -17.671 83.293 48.596 1.00 42.52 ? CG ASN 59 A 1 +ATOM 421 O OD1 ASN 59 . . A 1 -17.007 83.365 49.615 1.00 47.22 ? OD1 ASN 59 A 1 +ATOM 422 N ND2 ASN 59 . . A 1 -17.927 84.356 47.842 1.00 44.27 ? ND2 ASN 59 A 1 +ATOM 423 N N ALA 60 . . A 1 -14.896 81.244 47.205 1.00 24.99 ? N ALA 60 A 1 +ATOM 424 C CA ALA 60 . . A 1 -13.669 80.730 47.765 1.00 23.98 ? CA ALA 60 A 1 +ATOM 425 C C ALA 60 . . A 1 -12.939 81.819 48.482 1.00 27.18 ? C ALA 60 A 1 +ATOM 426 O O ALA 60 . . A 1 -11.769 82.062 48.199 1.00 27.44 ? O ALA 60 A 1 +ATOM 427 C CB ALA 60 . . A 1 -12.767 80.191 46.652 1.00 26.41 ? CB ALA 60 A 1 +ATOM 428 N N SER 61 . . A 1 -13.642 82.467 49.421 1.00 31.48 ? N SER 61 A 1 +ATOM 429 C CA SER 61 . . A 1 -13.040 83.578 50.173 1.00 32.86 ? CA SER 61 A 1 +ATOM 430 C C SER 61 . . A 1 -12.625 83.304 51.622 1.00 34.53 ? C SER 61 A 1 +ATOM 431 O O SER 61 . . A 1 -12.053 84.157 52.298 1.00 36.5 ? O SER 61 A 1 +ATOM 432 C CB SER 61 . . A 1 -14.065 84.730 50.228 1.00 31.96 ? CB SER 61 A 1 +ATOM 433 O OG SER 61 . . A 1 -14.657 84.951 48.941 1.00 38.85 ? OG SER 61 A 1 +ATOM 434 N N THR 62 . . A 1 -12.931 82.118 52.137 1.00 33.87 ? N THR 62 A 1 +ATOM 435 C CA THR 62 . . A 1 -12.587 81.857 53.529 1.00 30.62 ? CA THR 62 A 1 +ATOM 436 C C THR 62 . . A 1 -11.978 80.477 53.615 1.00 28.79 ? C THR 62 A 1 +ATOM 437 O O THR 62 . . A 1 -12.095 79.707 52.675 1.00 32.61 ? O THR 62 A 1 +ATOM 438 C CB THR 62 . . A 1 -13.883 82.017 54.348 1.00 31.32 ? CB THR 62 A 1 +ATOM 439 O OG1 THR 62 . . A 1 -14.976 81.404 53.663 1.00 29.68 ? OG1 THR 62 A 1 +ATOM 440 C CG2 THR 62 . . A 1 -14.286 83.490 54.576 1.00 31.03 ? CG2 THR 62 A 1 +ATOM 441 N N TYR 63 . . A 1 -11.300 80.174 54.729 1.00 25.93 ? N TYR 63 A 1 +ATOM 442 C CA TYR 63 . . A 1 -10.717 78.836 54.813 1.00 19.78 ? CA TYR 63 A 1 +ATOM 443 C C TYR 63 . . A 1 -11.796 77.818 55.072 1.00 18.69 ? C TYR 63 A 1 +ATOM 444 O O TYR 63 . . A 1 -12.836 78.140 55.619 1.00 18.46 ? O TYR 63 A 1 +ATOM 445 C CB TYR 63 . . A 1 -9.722 78.710 55.951 1.00 15.15 ? CB TYR 63 A 1 +ATOM 446 C CG TYR 63 . . A 1 -8.453 79.424 55.622 1.00 15.43 ? CG TYR 63 A 1 +ATOM 447 C CD1 TYR 63 . . A 1 -7.489 78.794 54.827 1.00 15.81 ? CD1 TYR 63 A 1 +ATOM 448 C CD2 TYR 63 . . A 1 -8.225 80.720 56.109 1.00 17.62 ? CD2 TYR 63 A 1 +ATOM 449 C CE1 TYR 63 . . A 1 -6.285 79.443 54.537 1.00 19.43 ? CE1 TYR 63 A 1 +ATOM 450 C CE2 TYR 63 . . A 1 -7.024 81.375 55.809 1.00 20.65 ? CE2 TYR 63 A 1 +ATOM 451 C CZ TYR 63 . . A 1 -6.048 80.737 55.025 1.00 19.7 ? CZ TYR 63 A 1 +ATOM 452 O OH TYR 63 . . A 1 -4.857 81.380 54.735 1.00 24.19 ? OH TYR 63 A 1 +ATOM 453 N N PRO 64 . . A 1 -11.522 76.573 54.693 1.00 19.06 ? N PRO 64 A 1 +ATOM 454 C CA PRO 64 . . A 1 -12.468 75.517 55.001 1.00 20.68 ? CA PRO 64 A 1 +ATOM 455 C C PRO 64 . . A 1 -12.327 75.036 56.444 1.00 18.38 ? C PRO 64 A 1 +ATOM 456 O O PRO 64 . . A 1 -11.485 75.450 57.224 1.00 17.54 ? O PRO 64 A 1 +ATOM 457 C CB PRO 64 . . A 1 -12.081 74.422 53.982 1.00 22.54 ? CB PRO 64 A 1 +ATOM 458 C CG PRO 64 . . A 1 -10.591 74.661 53.665 1.00 21.58 ? CG PRO 64 A 1 +ATOM 459 C CD PRO 64 . . A 1 -10.386 76.162 53.866 1.00 19.54 ? CD PRO 64 A 1 +ATOM 460 N N ASN 65 . . A 1 -13.221 74.112 56.766 1.00 20.56 ? N ASN 65 A 1 +ATOM 461 C CA ASN 65 . . A 1 -13.196 73.527 58.091 1.00 23.26 ? CA ASN 65 A 1 +ATOM 462 C C ASN 65 . . A 1 -11.989 72.626 58.109 1.00 22.74 ? C ASN 65 A 1 +ATOM 463 O O ASN 65 . . A 1 -11.470 72.232 57.067 1.00 23.75 ? O ASN 65 A 1 +ATOM 464 C CB ASN 65 . . A 1 -14.439 72.651 58.366 1.00 27.73 ? CB ASN 65 A 1 +ATOM 465 C CG ASN 65 . . A 1 -15.731 73.455 58.323 1.00 36.61 ? CG ASN 65 A 1 +ATOM 466 O OD1 ASN 65 . . A 1 -15.859 74.583 58.789 1.00 37.06 ? OD1 ASN 65 A 1 +ATOM 467 N ND2 ASN 65 . . A 1 -16.725 72.834 57.702 1.00 40.45 ? ND2 ASN 65 A 1 +ATOM 468 N N ASN 66 . . A 1 -11.573 72.259 59.314 1.00 21.64 ? N ASN 66 A 1 +ATOM 469 C CA ASN 66 . . A 1 -10.423 71.387 59.440 1.00 16.44 ? CA ASN 66 A 1 +ATOM 470 C C ASN 66 . . A 1 -10.979 70.013 59.711 1.00 16.55 ? C ASN 66 A 1 +ATOM 471 O O ASN 66 . . A 1 -12.110 69.833 60.146 1.00 14.3 ? O ASN 66 A 1 +ATOM 472 C CB ASN 66 . . A 1 -9.482 71.882 60.547 1.00 16.96 ? CB ASN 66 A 1 +ATOM 473 C CG ASN 66 . . A 1 -8.813 73.191 60.115 1.00 18.49 ? CG ASN 66 A 1 +ATOM 474 O OD1 ASN 66 . . A 1 -8.817 73.579 58.965 1.00 26.03 ? OD1 ASN 66 A 1 +ATOM 475 N ND2 ASN 66 . . A 1 -8.183 73.894 61.037 1.00 16.89 ? ND2 ASN 66 A 1 +ATOM 476 N N CYS 67 . . A 1 -10.185 68.993 59.417 1.00 17.25 ? N CYS 67 A 1 +ATOM 477 C CA CYS 67 . . A 1 -10.706 67.656 59.682 1.00 18.57 ? CA CYS 67 A 1 +ATOM 478 C C CYS 67 . . A 1 -10.667 67.450 61.184 1.00 19.81 ? C CYS 67 A 1 +ATOM 479 O O CYS 67 . . A 1 -9.984 68.203 61.875 1.00 20.61 ? O CYS 67 A 1 +ATOM 480 C CB CYS 67 . . A 1 -9.863 66.601 58.960 1.00 17.42 ? CB CYS 67 A 1 +ATOM 481 S SG CYS 67 . . A 1 -9.905 66.802 57.151 1.00 18.98 ? SG CYS 67 A 1 +ATOM 482 N N GLN 68 . . A 1 -11.393 66.439 61.675 1.00 17.55 ? N GLN 68 A 1 +ATOM 483 C CA GLN 68 . . A 1 -11.407 66.168 63.091 1.00 17.18 ? CA GLN 68 A 1 +ATOM 484 C C GLN 68 . . A 1 -10.043 65.664 63.483 1.00 19.88 ? C GLN 68 A 1 +ATOM 485 O O GLN 68 . . A 1 -9.417 64.953 62.712 1.00 21.99 ? O GLN 68 A 1 +ATOM 486 C CB GLN 68 . . A 1 -12.416 65.039 63.353 1.00 15.22 ? CB GLN 68 A 1 +ATOM 487 C CG GLN 68 . . A 1 -13.847 65.325 62.915 1.00 18.79 ? CG GLN 68 A 1 +ATOM 488 C CD GLN 68 . . A 1 -14.639 66.144 63.915 1.00 21.79 ? CD GLN 68 A 1 +ATOM 489 O OE1 GLN 68 . . A 1 -15.813 65.936 64.118 1.00 25.17 ? OE1 GLN 68 A 1 +ATOM 490 N NE2 GLN 68 . . A 1 -14.006 67.092 64.571 1.00 21.53 ? NE2 GLN 68 A 1 +ATOM 491 N N GLN 69 . . A 1 -9.585 66.025 64.673 1.00 20.12 ? N GLN 69 A 1 +ATOM 492 C CA GLN 69 . . A 1 -8.279 65.555 65.080 1.00 18.14 ? CA GLN 69 A 1 +ATOM 493 C C GLN 69 . . A 1 -8.147 65.827 66.551 1.00 17.2 ? C GLN 69 A 1 +ATOM 494 O O GLN 69 . . A 1 -9.001 66.466 67.156 1.00 19.15 ? O GLN 69 A 1 +ATOM 495 C CB GLN 69 . . A 1 -7.197 66.296 64.294 1.00 13.21 ? CB GLN 69 A 1 +ATOM 496 C CG GLN 69 . . A 1 -7.408 67.813 64.392 1.00 13.01 ? CG GLN 69 A 1 +ATOM 497 C CD GLN 69 . . A 1 -6.498 68.483 63.423 1.00 16.68 ? CD GLN 69 A 1 +ATOM 498 O OE1 GLN 69 . . A 1 -5.318 68.723 63.680 1.00 11.84 ? OE1 GLN 69 A 1 +ATOM 499 N NE2 GLN 69 . . A 1 -7.090 68.699 62.256 1.00 13.06 ? NE2 GLN 69 A 1 +ATOM 500 N N TYR 70 . . A 1 -7.044 65.343 67.113 1.00 14.49 ? N TYR 70 A 1 +ATOM 501 C CA TYR 70 . . A 1 -6.790 65.538 68.513 1.00 12.98 ? CA TYR 70 A 1 +ATOM 502 C C TYR 70 . . A 1 -6.205 66.938 68.694 1.00 15.14 ? C TYR 70 A 1 +ATOM 503 O O TYR 70 . . A 1 -5.191 67.281 68.101 1.00 14.54 ? O TYR 70 A 1 +ATOM 504 C CB TYR 70 . . A 1 -5.840 64.438 68.969 1.00 12.17 ? CB TYR 70 A 1 +ATOM 505 C CG TYR 70 . . A 1 -5.233 64.737 70.316 1.00 23.88 ? CG TYR 70 A 1 +ATOM 506 C CD1 TYR 70 . . A 1 -5.991 64.599 71.488 1.00 25.6 ? CD1 TYR 70 A 1 +ATOM 507 C CD2 TYR 70 . . A 1 -3.895 65.176 70.399 1.00 30.1 ? CD2 TYR 70 A 1 +ATOM 508 C CE1 TYR 70 . . A 1 -5.410 64.871 72.737 1.00 33.68 ? CE1 TYR 70 A 1 +ATOM 509 C CE2 TYR 70 . . A 1 -3.309 65.448 71.647 1.00 34.94 ? CE2 TYR 70 A 1 +ATOM 510 C CZ TYR 70 . . A 1 -4.068 65.298 72.822 1.00 37.28 ? CZ TYR 70 A 1 +ATOM 511 O OH TYR 70 . . A 1 -3.512 65.590 74.064 1.00 42.92 ? OH TYR 70 A 1 +ATOM 512 N N VAL 71 . . A 1 -6.861 67.738 69.544 1.00 15.09 ? N VAL 71 A 1 +ATOM 513 C CA VAL 71 . . A 1 -6.376 69.079 69.781 1.00 17.72 ? CA VAL 71 A 1 +ATOM 514 C C VAL 71 . . A 1 -5.276 68.956 70.821 1.00 20.76 ? C VAL 71 A 1 +ATOM 515 O O VAL 71 . . A 1 -5.424 68.232 71.802 1.00 23.36 ? O VAL 71 A 1 +ATOM 516 C CB VAL 71 . . A 1 -7.523 69.971 70.266 1.00 13.32 ? CB VAL 71 A 1 +ATOM 517 C CG1 VAL 71 . . A 1 -7.165 71.450 70.135 1.00 14.34 ? CG1 VAL 71 A 1 +ATOM 518 C CG2 VAL 71 . . A 1 -8.824 69.702 69.504 1.00 20.84 ? CG2 VAL 71 A 1 +ATOM 519 N N ASP 72 . . A 1 -4.183 69.698 70.626 1.00 20.45 ? N ASP 72 A 1 +ATOM 520 C CA ASP 72 . . A 1 -3.127 69.544 71.594 1.00 21.84 ? CA ASP 72 A 1 +ATOM 521 C C ASP 72 . . A 1 -3.302 70.556 72.658 1.00 26.3 ? C ASP 72 A 1 +ATOM 522 O O ASP 72 . . A 1 -3.206 71.743 72.396 1.00 30.97 ? O ASP 72 A 1 +ATOM 523 C CB ASP 72 . . A 1 -1.754 69.806 70.955 1.00 20.11 ? CB ASP 72 A 1 +ATOM 524 C CG ASP 72 . . A 1 -0.569 69.712 71.938 1.00 16.69 ? CG ASP 72 A 1 +ATOM 525 O OD1 ASP 72 . . A 1 -0.730 69.182 73.035 1.00 14.3 ? OD1 ASP 72 A 1 +ATOM 526 O OD2 ASP 72 . . A 1 0.509 70.179 71.599 1.00 15.91 ? OD2 ASP 72 A 1 +ATOM 527 N N GLU 73 . . A 1 -3.506 70.103 73.893 1.00 26.74 ? N GLU 73 A 1 +ATOM 528 C CA GLU 73 . . A 1 -3.640 71.101 74.945 1.00 27.99 ? CA GLU 73 A 1 +ATOM 529 C C GLU 73 . . A 1 -2.727 70.780 76.094 1.00 27.05 ? C GLU 73 A 1 +ATOM 530 O O GLU 73 . . A 1 -3.059 70.917 77.258 1.00 29.33 ? O GLU 73 A 1 +ATOM 531 C CB GLU 73 . . A 1 -5.101 71.421 75.302 1.00 27.16 ? CB GLU 73 A 1 +ATOM 532 C CG GLU 73 . . A 1 -5.977 70.214 75.663 1.00 24.07 ? CG GLU 73 A 1 +ATOM 533 C CD GLU 73 . . A 1 -7.451 70.568 75.563 1.00 25.62 ? CD GLU 73 A 1 +ATOM 534 O OE1 GLU 73 . . A 1 -7.784 71.736 75.339 1.00 26.72 ? OE1 GLU 73 A 1 +ATOM 535 O OE2 GLU 73 . . A 1 -8.264 69.660 75.686 1.00 28.37 ? OE2 GLU 73 A 1 +ATOM 536 N N GLN 74 . . A 1 -1.517 70.335 75.725 1.00 24.18 ? N GLN 74 A 1 +ATOM 537 C CA GLN 74 . . A 1 -0.546 70.019 76.766 1.00 19.75 ? CA GLN 74 A 1 +ATOM 538 C C GLN 74 . . A 1 0.044 71.294 77.338 1.00 19.07 ? C GLN 74 A 1 +ATOM 539 O O GLN 74 . . A 1 0.621 71.275 78.414 1.00 27.55 ? O GLN 74 A 1 +ATOM 540 C CB GLN 74 . . A 1 0.568 69.058 76.295 1.00 17.91 ? CB GLN 74 A 1 +ATOM 541 C CG GLN 74 . . A 1 1.124 68.127 77.404 1.00 15.27 ? CG GLN 74 A 1 +ATOM 542 C CD GLN 74 . . A 1 1.981 68.819 78.458 1.00 19.09 ? CD GLN 74 A 1 +ATOM 543 N N PHE 75 . . A 1 -0.054 72.391 76.599 1.00 16.81 ? N PHE 75 A 1 +ATOM 544 C CA PHE 75 . . A 1 0.473 73.652 77.110 1.00 14.63 ? CA PHE 75 A 1 +ATOM 545 C C PHE 75 . . A 1 -0.519 74.701 76.670 1.00 15.75 ? C PHE 75 A 1 +ATOM 546 O O PHE 75 . . A 1 -0.237 75.476 75.759 1.00 12.66 ? O PHE 75 A 1 +ATOM 547 C CB PHE 75 . . A 1 1.868 73.986 76.534 1.00 15.63 ? CB PHE 75 A 1 +ATOM 548 C CG PHE 75 . . A 1 2.928 72.957 76.865 1.00 18.37 ? CG PHE 75 A 1 +ATOM 549 C CD1 PHE 75 . . A 1 3.598 72.994 78.100 1.00 20.71 ? CD1 PHE 75 A 1 +ATOM 550 C CD2 PHE 75 . . A 1 3.258 71.951 75.946 1.00 18.7 ? CD2 PHE 75 A 1 +ATOM 551 C CE1 PHE 75 . . A 1 4.584 72.045 78.399 1.00 19.08 ? CE1 PHE 75 A 1 +ATOM 552 C CE2 PHE 75 . . A 1 4.235 70.996 76.251 1.00 18.19 ? CE2 PHE 75 A 1 +ATOM 553 C CZ PHE 75 . . A 1 4.903 71.041 77.477 1.00 17.69 ? CZ PHE 75 A 1 +ATOM 554 N N PRO 76 . . A 1 -1.744 74.678 77.265 1.00 16.59 ? N PRO 76 A 1 +ATOM 555 C CA PRO 76 . . A 1 -2.817 75.523 76.755 1.00 14.83 ? CA PRO 76 A 1 +ATOM 556 C C PRO 76 . . A 1 -2.395 76.960 76.723 1.00 13.89 ? C PRO 76 A 1 +ATOM 557 O O PRO 76 . . A 1 -1.759 77.441 77.645 1.00 13.58 ? O PRO 76 A 1 +ATOM 558 C CB PRO 76 . . A 1 -3.987 75.306 77.719 1.00 8.91 ? CB PRO 76 A 1 +ATOM 559 C CG PRO 76 . . A 1 -3.700 73.971 78.406 1.00 14.56 ? CG PRO 76 A 1 +ATOM 560 C CD PRO 76 . . A 1 -2.166 73.842 78.392 1.00 16.53 ? CD PRO 76 A 1 +ATOM 561 N N GLY 77 . . A 1 -2.741 77.619 75.619 1.00 15.94 ? N GLY 77 A 1 +ATOM 562 C CA GLY 77 . . A 1 -2.389 79.024 75.478 1.00 19.13 ? CA GLY 77 A 1 +ATOM 563 C C GLY 77 . . A 1 -0.983 79.255 74.957 1.00 20.3 ? C GLY 77 A 1 +ATOM 564 O O GLY 77 . . A 1 -0.685 80.291 74.364 1.00 21.3 ? O GLY 77 A 1 +ATOM 565 N N PHE 78 . . A 1 -0.109 78.252 75.139 1.00 15.84 ? N PHE 78 A 1 +ATOM 566 C CA PHE 78 . . A 1 1.246 78.450 74.670 1.00 12.27 ? CA PHE 78 A 1 +ATOM 567 C C PHE 78 . . A 1 1.308 78.493 73.158 1.00 14.11 ? C PHE 78 A 1 +ATOM 568 O O PHE 78 . . A 1 0.957 77.528 72.493 1.00 13.8 ? O PHE 78 A 1 +ATOM 569 C CB PHE 78 . . A 1 2.119 77.307 75.170 1.00 5.3 ? CB PHE 78 A 1 +ATOM 570 C CG PHE 78 . . A 1 3.577 77.446 74.816 1.00 2 ? CG PHE 78 A 1 +ATOM 571 C CD1 PHE 78 . . A 1 4.231 78.684 74.890 1.00 2 ? CD1 PHE 78 A 1 +ATOM 572 C CD2 PHE 78 . . A 1 4.300 76.310 74.427 1.00 4.23 ? CD2 PHE 78 A 1 +ATOM 573 C CE1 PHE 78 . . A 1 5.597 78.780 74.589 1.00 4.27 ? CE1 PHE 78 A 1 +ATOM 574 C CE2 PHE 78 . . A 1 5.664 76.406 74.135 1.00 2 ? CE2 PHE 78 A 1 +ATOM 575 C CZ PHE 78 . . A 1 6.313 77.638 74.221 1.00 3.02 ? CZ PHE 78 A 1 +ATOM 576 N N SER 79 . . A 1 1.815 79.598 72.611 1.00 14.75 ? N SER 79 A 1 +ATOM 577 C CA SER 79 . . A 1 1.897 79.700 71.151 1.00 15.44 ? CA SER 79 A 1 +ATOM 578 C C SER 79 . . A 1 2.697 78.584 70.502 1.00 14.29 ? C SER 79 A 1 +ATOM 579 O O SER 79 . . A 1 2.311 78.023 69.490 1.00 16.49 ? O SER 79 A 1 +ATOM 580 C CB SER 79 . . A 1 2.481 81.045 70.710 1.00 15.68 ? CB SER 79 A 1 +ATOM 581 O OG SER 79 . . A 1 3.691 81.268 71.437 1.00 27.82 ? OG SER 79 A 1 +ATOM 582 N N GLY 80 . . A 1 3.810 78.235 71.123 1.00 11.96 ? N GLY 80 A 1 +ATOM 583 C CA GLY 80 . . A 1 4.616 77.182 70.527 1.00 13.22 ? CA GLY 80 A 1 +ATOM 584 C C GLY 80 . . A 1 3.864 75.898 70.204 1.00 11.3 ? C GLY 80 A 1 +ATOM 585 O O GLY 80 . . A 1 4.277 75.133 69.351 1.00 10.75 ? O GLY 80 A 1 +ATOM 586 N N SER 81 . . A 1 2.763 75.636 70.908 1.00 13.86 ? N SER 81 A 1 +ATOM 587 C CA SER 81 . . A 1 2.028 74.419 70.622 1.00 18.66 ? CA SER 81 A 1 +ATOM 588 C C SER 81 . . A 1 0.785 74.773 69.848 1.00 19.99 ? C SER 81 A 1 +ATOM 589 O O SER 81 . . A 1 0.384 74.134 68.881 1.00 22.67 ? O SER 81 A 1 +ATOM 590 C CB SER 81 . . A 1 1.723 73.612 71.906 1.00 18.45 ? CB SER 81 A 1 +ATOM 591 O OG SER 81 . . A 1 0.831 74.263 72.818 1.00 22.06 ? OG SER 81 A 1 +ATOM 592 N N GLU 82 . . A 1 0.180 75.859 70.287 1.00 22.4 ? N GLU 82 A 1 +ATOM 593 C CA GLU 82 . . A 1 -1.040 76.335 69.685 1.00 25.67 ? CA GLU 82 A 1 +ATOM 594 C C GLU 82 . . A 1 -0.906 76.617 68.200 1.00 23.3 ? C GLU 82 A 1 +ATOM 595 O O GLU 82 . . A 1 -1.831 76.370 67.440 1.00 27.14 ? O GLU 82 A 1 +ATOM 596 C CB GLU 82 . . A 1 -1.532 77.605 70.422 1.00 32.47 ? CB GLU 82 A 1 +ATOM 597 C CG GLU 82 . . A 1 -1.881 77.416 71.915 1.00 36.84 ? CG GLU 82 A 1 +ATOM 598 C CD GLU 82 . . A 1 -3.270 76.830 72.117 1.00 43.72 ? CD GLU 82 A 1 +ATOM 599 O OE1 GLU 82 . . A 1 -3.543 75.763 71.555 1.00 46.39 ? OE1 GLU 82 A 1 +ATOM 600 O OE2 GLU 82 . . A 1 -4.068 77.443 72.835 1.00 46.73 ? OE2 GLU 82 A 1 +ATOM 601 N N MET 83 . . A 1 0.248 77.120 67.780 1.00 18.06 ? N MET 83 A 1 +ATOM 602 C CA MET 83 . . A 1 0.401 77.412 66.360 1.00 17.25 ? CA MET 83 A 1 +ATOM 603 C C MET 83 . . A 1 0.068 76.234 65.434 1.00 17.9 ? C MET 83 A 1 +ATOM 604 O O MET 83 . . A 1 -0.217 76.428 64.259 1.00 21.67 ? O MET 83 A 1 +ATOM 605 C CB MET 83 . . A 1 1.822 77.934 66.058 1.00 15.6 ? CB MET 83 A 1 +ATOM 606 C CG MET 83 . . A 1 2.927 76.975 66.505 1.00 19.41 ? CG MET 83 A 1 +ATOM 607 S SD MET 83 . . A 1 4.383 77.143 65.446 1.00 28.06 ? SD MET 83 A 1 +ATOM 608 C CE MET 83 . . A 1 5.245 78.487 66.290 1.00 35.21 ? CE MET 83 A 1 +ATOM 609 N N TRP 84 . . A 1 0.122 75.015 65.987 1.00 13.03 ? N TRP 84 A 1 +ATOM 610 C CA TRP 84 . . A 1 -0.154 73.823 65.211 1.00 10.68 ? CA TRP 84 A 1 +ATOM 611 C C TRP 84 . . A 1 -1.550 73.249 65.396 1.00 11.34 ? C TRP 84 A 1 +ATOM 612 O O TRP 84 . . A 1 -1.813 72.168 64.877 1.00 14.46 ? O TRP 84 A 1 +ATOM 613 C CB TRP 84 . . A 1 0.789 72.670 65.625 1.00 11.48 ? CB TRP 84 A 1 +ATOM 614 C CG TRP 84 . . A 1 2.245 73.044 65.576 1.00 11.73 ? CG TRP 84 A 1 +ATOM 615 C CD1 TRP 84 . . A 1 3.028 73.442 66.672 1.00 10.38 ? CD1 TRP 84 A 1 +ATOM 616 C CD2 TRP 84 . . A 1 3.062 73.098 64.437 1.00 12.68 ? CD2 TRP 84 A 1 +ATOM 617 N NE1 TRP 84 . . A 1 4.277 73.747 66.266 1.00 9.3 ? NE1 TRP 84 A 1 +ATOM 618 C CE2 TRP 84 . . A 1 4.378 73.566 64.911 1.00 12.27 ? CE2 TRP 84 A 1 +ATOM 619 C CE3 TRP 84 . . A 1 2.858 72.867 63.071 1.00 14.19 ? CE3 TRP 84 A 1 +ATOM 620 C CZ2 TRP 84 . . A 1 5.406 73.766 63.977 1.00 13.17 ? CZ2 TRP 84 A 1 +ATOM 621 C CZ3 TRP 84 . . A 1 3.909 73.089 62.167 1.00 12.49 ? CZ3 TRP 84 A 1 +ATOM 622 C CH2 TRP 84 . . A 1 5.167 73.528 62.615 1.00 12.78 ? CH2 TRP 84 A 1 +ATOM 623 N N ASN 85 . . A 1 -2.439 73.908 66.131 1.00 11.34 ? N ASN 85 A 1 +ATOM 624 C CA ASN 85 . . A 1 -3.767 73.296 66.338 1.00 14.49 ? CA ASN 85 A 1 +ATOM 625 C C ASN 85 . . A 1 -4.784 73.834 65.359 1.00 15.95 ? C ASN 85 A 1 +ATOM 626 O O ASN 85 . . A 1 -4.643 74.972 64.916 1.00 19.96 ? O ASN 85 A 1 +ATOM 627 C CB ASN 85 . . A 1 -4.309 73.642 67.730 1.00 19.34 ? CB ASN 85 A 1 +ATOM 628 C CG ASN 85 . . A 1 -3.765 72.718 68.778 1.00 22.6 ? CG ASN 85 A 1 +ATOM 629 O OD1 ASN 85 . . A 1 -2.968 71.846 68.502 1.00 26.16 ? OD1 ASN 85 A 1 +ATOM 630 N ND2 ASN 85 . . A 1 -4.202 72.907 70.003 1.00 26.67 ? ND2 ASN 85 A 1 +ATOM 631 N N PRO 86 . . A 1 -5.850 73.044 65.055 1.00 10.84 ? N PRO 86 A 1 +ATOM 632 C CA PRO 86 . . A 1 -6.830 73.496 64.089 1.00 12.43 ? CA PRO 86 A 1 +ATOM 633 C C PRO 86 . . A 1 -7.317 74.875 64.470 1.00 14.14 ? C PRO 86 A 1 +ATOM 634 O O PRO 86 . . A 1 -7.778 75.053 65.585 1.00 23.78 ? O PRO 86 A 1 +ATOM 635 C CB PRO 86 . . A 1 -7.953 72.437 64.107 1.00 8.3 ? CB PRO 86 A 1 +ATOM 636 C CG PRO 86 . . A 1 -7.633 71.487 65.260 1.00 7.62 ? CG PRO 86 A 1 +ATOM 637 C CD PRO 86 . . A 1 -6.166 71.751 65.639 1.00 12.16 ? CD PRO 86 A 1 +ATOM 638 N N ASN 87 . . A 1 -7.184 75.827 63.546 1.00 13.45 ? N ASN 87 A 1 +ATOM 639 C CA ASN 87 . . A 1 -7.612 77.184 63.822 1.00 11.93 ? CA ASN 87 A 1 +ATOM 640 C C ASN 87 . . A 1 -8.935 77.473 63.171 1.00 14.55 ? C ASN 87 A 1 +ATOM 641 O O ASN 87 . . A 1 -9.237 78.627 62.907 1.00 18.89 ? O ASN 87 A 1 +ATOM 642 C CB ASN 87 . . A 1 -6.571 78.188 63.300 1.00 14.24 ? CB ASN 87 A 1 +ATOM 643 C CG ASN 87 . . A 1 -6.456 78.117 61.801 1.00 16.61 ? CG ASN 87 A 1 +ATOM 644 O OD1 ASN 87 . . A 1 -6.933 77.187 61.179 1.00 21.68 ? OD1 ASN 87 A 1 +ATOM 645 N ND2 ASN 87 . . A 1 -5.786 79.091 61.213 1.00 23.1 ? ND2 ASN 87 A 1 +ATOM 646 N N ARG 88 . . A 1 -9.727 76.438 62.877 1.00 17.04 ? N ARG 88 A 1 +ATOM 647 C CA ARG 88 . . A 1 -11.026 76.615 62.228 1.00 16.41 ? CA ARG 88 A 1 +ATOM 648 C C ARG 88 . . A 1 -11.900 75.523 62.793 1.00 15.6 ? C ARG 88 A 1 +ATOM 649 O O ARG 88 . . A 1 -11.425 74.616 63.461 1.00 19.57 ? O ARG 88 A 1 +ATOM 650 C CB ARG 88 . . A 1 -10.897 76.429 60.692 1.00 18.43 ? CB ARG 88 A 1 +ATOM 651 C CG ARG 88 . . A 1 -10.398 77.678 59.953 1.00 18.59 ? CG ARG 88 A 1 +ATOM 652 C CD ARG 88 . . A 1 -11.553 78.663 59.658 1.00 25.23 ? CD ARG 88 A 1 +ATOM 653 N NE ARG 88 . . A 1 -11.109 79.955 59.127 1.00 30.01 ? NE ARG 88 A 1 +ATOM 654 C CZ ARG 88 . . A 1 -10.173 80.693 59.756 1.00 28.05 ? CZ ARG 88 A 1 +ATOM 655 N N GLU 89 . . A 1 -13.204 75.606 62.516 1.00 14.4 ? N GLU 89 A 1 +ATOM 656 C CA GLU 89 . . A 1 -14.088 74.573 63.058 1.00 14.71 ? CA GLU 89 A 1 +ATOM 657 C C GLU 89 . . A 1 -13.716 73.272 62.445 1.00 12.51 ? C GLU 89 A 1 +ATOM 658 O O GLU 89 . . A 1 -13.467 73.181 61.256 1.00 15.65 ? O GLU 89 A 1 +ATOM 659 C CB GLU 89 . . A 1 -15.585 74.844 62.744 1.00 19.87 ? CB GLU 89 A 1 +ATOM 660 C CG GLU 89 . . A 1 -16.649 73.877 63.346 1.00 26.55 ? CG GLU 89 A 1 +ATOM 661 N N MET 90 . . A 1 -13.654 72.264 63.280 1.00 12.4 ? N MET 90 A 1 +ATOM 662 C CA MET 90 . . A 1 -13.329 70.979 62.735 1.00 12.4 ? CA MET 90 A 1 +ATOM 663 C C MET 90 . . A 1 -14.657 70.444 62.245 1.00 13.29 ? C MET 90 A 1 +ATOM 664 O O MET 90 . . A 1 -15.685 70.875 62.764 1.00 11.14 ? O MET 90 A 1 +ATOM 665 C CB MET 90 . . A 1 -12.753 70.062 63.817 1.00 13.61 ? CB MET 90 A 1 +ATOM 666 C CG MET 90 . . A 1 -11.597 70.693 64.597 1.00 13.67 ? CG MET 90 A 1 +ATOM 667 S SD MET 90 . . A 1 -10.606 69.351 65.317 1.00 19.43 ? SD MET 90 A 1 +ATOM 668 C CE MET 90 . . A 1 -11.676 68.792 66.655 1.00 20.51 ? CE MET 90 A 1 +ATOM 669 N N SER 91 . . A 1 -14.617 69.531 61.273 1.00 13.06 ? N SER 91 A 1 +ATOM 670 C CA SER 91 . . A 1 -15.811 68.921 60.732 1.00 14.99 ? CA SER 91 A 1 +ATOM 671 C C SER 91 . . A 1 -15.326 67.704 59.970 1.00 15.19 ? C SER 91 A 1 +ATOM 672 O O SER 91 . . A 1 -14.161 67.604 59.592 1.00 14.69 ? O SER 91 A 1 +ATOM 673 C CB SER 91 . . A 1 -16.520 69.899 59.763 1.00 18.9 ? CB SER 91 A 1 +ATOM 674 O OG SER 91 . . A 1 -17.801 69.436 59.296 1.00 25.45 ? OG SER 91 A 1 +ATOM 675 N N GLU 92 . . A 1 -16.250 66.746 59.745 1.00 13.93 ? N GLU 92 A 1 +ATOM 676 C CA GLU 92 . . A 1 -15.851 65.579 58.959 1.00 13.9 ? CA GLU 92 A 1 +ATOM 677 C C GLU 92 . . A 1 -15.772 66.009 57.501 1.00 18.57 ? C GLU 92 A 1 +ATOM 678 O O GLU 92 . . A 1 -15.003 65.503 56.698 1.00 20.05 ? O GLU 92 A 1 +ATOM 679 C CB GLU 92 . . A 1 -16.781 64.389 59.120 1.00 10.43 ? CB GLU 92 A 1 +ATOM 680 C CG GLU 92 . . A 1 -16.496 63.628 60.415 1.00 12.39 ? CG GLU 92 A 1 +ATOM 681 C CD GLU 92 . . A 1 -17.146 62.256 60.346 1.00 13.13 ? CD GLU 92 A 1 +ATOM 682 O OE1 GLU 92 . . A 1 -18.335 62.159 60.636 1.00 10.48 ? OE1 GLU 92 A 1 +ATOM 683 O OE2 GLU 92 . . A 1 -16.460 61.294 59.986 1.00 16.23 ? OE2 GLU 92 A 1 +ATOM 684 N N ASP 93 . . A 1 -16.625 66.984 57.189 1.00 17.71 ? N ASP 93 A 1 +ATOM 685 C CA ASP 93 . . A 1 -16.665 67.591 55.878 1.00 17.64 ? CA ASP 93 A 1 +ATOM 686 C C ASP 93 . . A 1 -15.462 68.539 55.844 1.00 19.89 ? C ASP 93 A 1 +ATOM 687 O O ASP 93 . . A 1 -15.565 69.715 56.197 1.00 20.41 ? O ASP 93 A 1 +ATOM 688 C CB ASP 93 . . A 1 -17.978 68.384 55.757 1.00 17.65 ? CB ASP 93 A 1 +ATOM 689 C CG ASP 93 . . A 1 -18.136 69.104 54.433 1.00 23.35 ? CG ASP 93 A 1 +ATOM 690 O OD1 ASP 93 . . A 1 -17.123 69.476 53.846 1.00 22 ? OD1 ASP 93 A 1 +ATOM 691 O OD2 ASP 93 . . A 1 -19.273 69.294 53.993 1.00 26.9 ? OD2 ASP 93 A 1 +ATOM 692 N N CYS 94 . . A 1 -14.311 68.010 55.427 1.00 18.5 ? N CYS 94 A 1 +ATOM 693 C CA CYS 94 . . A 1 -13.140 68.872 55.416 1.00 18.58 ? CA CYS 94 A 1 +ATOM 694 C C CYS 94 . . A 1 -12.241 68.687 54.217 1.00 20.84 ? C CYS 94 A 1 +ATOM 695 O O CYS 94 . . A 1 -11.129 69.207 54.206 1.00 24.77 ? O CYS 94 A 1 +ATOM 696 C CB CYS 94 . . A 1 -12.313 68.570 56.663 1.00 15.68 ? CB CYS 94 A 1 +ATOM 697 S SG CYS 94 . . A 1 -11.885 66.805 56.660 1.00 8.01 ? SG CYS 94 A 1 +ATOM 698 N N LEU 95 . . A 1 -12.699 67.928 53.211 1.00 17.6 ? N LEU 95 A 1 +ATOM 699 C CA LEU 95 . . A 1 -11.859 67.746 52.024 1.00 15.22 ? CA LEU 95 A 1 +ATOM 700 C C LEU 95 . . A 1 -12.026 68.932 51.043 1.00 13.32 ? C LEU 95 A 1 +ATOM 701 O O LEU 95 . . A 1 -12.969 68.980 50.253 1.00 14.93 ? O LEU 95 A 1 +ATOM 702 C CB LEU 95 . . A 1 -12.223 66.423 51.337 1.00 11.27 ? CB LEU 95 A 1 +ATOM 703 C CG LEU 95 . . A 1 -11.924 65.184 52.183 1.00 9.22 ? CG LEU 95 A 1 +ATOM 704 C CD1 LEU 95 . . A 1 -12.398 63.918 51.459 1.00 12.24 ? CD1 LEU 95 A 1 +ATOM 705 C CD2 LEU 95 . . A 1 -10.420 65.086 52.473 1.00 9.44 ? CD2 LEU 95 A 1 +ATOM 706 N N TYR 96 . . A 1 -11.101 69.895 51.130 1.00 9.45 ? N TYR 96 A 1 +ATOM 707 C CA TYR 96 . . A 1 -11.074 71.093 50.284 1.00 10.39 ? CA TYR 96 A 1 +ATOM 708 C C TYR 96 . . A 1 -9.627 71.405 50.015 1.00 9.24 ? C TYR 96 A 1 +ATOM 709 O O TYR 96 . . A 1 -8.755 70.757 50.572 1.00 11.56 ? O TYR 96 A 1 +ATOM 710 C CB TYR 96 . . A 1 -11.648 72.315 51.011 1.00 6.27 ? CB TYR 96 A 1 +ATOM 711 C CG TYR 96 . . A 1 -13.088 72.116 51.361 1.00 12.78 ? CG TYR 96 A 1 +ATOM 712 C CD1 TYR 96 . . A 1 -13.465 71.437 52.529 1.00 17.73 ? CD1 TYR 96 A 1 +ATOM 713 C CD2 TYR 96 . . A 1 -14.069 72.620 50.511 1.00 17.02 ? CD2 TYR 96 A 1 +ATOM 714 C CE1 TYR 96 . . A 1 -14.825 71.256 52.837 1.00 24.42 ? CE1 TYR 96 A 1 +ATOM 715 C CE2 TYR 96 . . A 1 -15.421 72.460 50.809 1.00 23.71 ? CE2 TYR 96 A 1 +ATOM 716 C CZ TYR 96 . . A 1 -15.807 71.768 51.968 1.00 25.91 ? CZ TYR 96 A 1 +ATOM 717 O OH TYR 96 . . A 1 -17.150 71.591 52.241 1.00 30.42 ? OH TYR 96 A 1 +ATOM 718 N N LEU 97 . . A 1 -9.366 72.384 49.156 1.00 7.65 ? N LEU 97 A 1 +ATOM 719 C CA LEU 97 . . A 1 -7.987 72.753 48.892 1.00 7.91 ? CA LEU 97 A 1 +ATOM 720 C C LEU 97 . . A 1 -7.950 74.249 48.762 1.00 9.01 ? C LEU 97 A 1 +ATOM 721 O O LEU 97 . . A 1 -8.992 74.870 48.596 1.00 10.81 ? O LEU 97 A 1 +ATOM 722 C CB LEU 97 . . A 1 -7.373 71.963 47.728 1.00 9.23 ? CB LEU 97 A 1 +ATOM 723 C CG LEU 97 . . A 1 -8.126 71.943 46.392 1.00 6.13 ? CG LEU 97 A 1 +ATOM 724 C CD1 LEU 97 . . A 1 -8.029 73.281 45.657 1.00 8.91 ? CD1 LEU 97 A 1 +ATOM 725 C CD2 LEU 97 . . A 1 -7.571 70.818 45.512 1.00 3.47 ? CD2 LEU 97 A 1 +ATOM 726 N N ASN 98 . . A 1 -6.752 74.834 48.859 1.00 11.33 ? N ASN 98 A 1 +ATOM 727 C CA ASN 98 . . A 1 -6.601 76.300 48.768 1.00 13.7 ? CA ASN 98 A 1 +ATOM 728 C C ASN 98 . . A 1 -5.518 76.564 47.749 1.00 16.15 ? C ASN 98 A 1 +ATOM 729 O O ASN 98 . . A 1 -4.615 75.746 47.647 1.00 20.18 ? O ASN 98 A 1 +ATOM 730 C CB ASN 98 . . A 1 -6.149 76.913 50.122 1.00 17.58 ? CB ASN 98 A 1 +ATOM 731 C CG ASN 98 . . A 1 -6.964 76.389 51.307 1.00 18.01 ? CG ASN 98 A 1 +ATOM 732 O OD1 ASN 98 . . A 1 -8.144 76.679 51.485 1.00 12.42 ? OD1 ASN 98 A 1 +ATOM 733 N ND2 ASN 98 . . A 1 -6.307 75.544 52.103 1.00 16.23 ? ND2 ASN 98 A 1 +ATOM 734 N N ILE 99 . . A 1 -5.592 77.688 47.031 1.00 18.79 ? N ILE 99 A 1 +ATOM 735 C CA ILE 99 . . A 1 -4.629 78.040 45.997 1.00 15.69 ? CA ILE 99 A 1 +ATOM 736 C C ILE 99 . . A 1 -4.294 79.528 46.085 1.00 12.75 ? C ILE 99 A 1 +ATOM 737 O O ILE 99 . . A 1 -5.196 80.364 46.115 1.00 12.25 ? O ILE 99 A 1 +ATOM 738 C CB ILE 99 . . A 1 -5.339 77.820 44.625 1.00 21.08 ? CB ILE 99 A 1 +ATOM 739 C CG1 ILE 99 . . A 1 -6.118 76.476 44.526 1.00 22.08 ? CG1 ILE 99 A 1 +ATOM 740 C CG2 ILE 99 . . A 1 -4.408 78.076 43.422 1.00 20.15 ? CG2 ILE 99 A 1 +ATOM 741 C CD1 ILE 99 . . A 1 -6.870 76.280 43.201 1.00 26.01 ? CD1 ILE 99 A 1 +ATOM 742 N N TRP 100 . . A 1 -3.013 79.861 46.120 1.00 10.55 ? N TRP 100 A 1 +ATOM 743 C CA TRP 100 . . A 1 -2.637 81.271 46.144 1.00 17.45 ? CA TRP 100 A 1 +ATOM 744 C C TRP 100 . . A 1 -2.096 81.427 44.763 1.00 23.25 ? C TRP 100 A 1 +ATOM 745 O O TRP 100 . . A 1 -1.264 80.608 44.366 1.00 28.28 ? O TRP 100 A 1 +ATOM 746 C CB TRP 100 . . A 1 -1.524 81.610 47.157 1.00 18.88 ? CB TRP 100 A 1 +ATOM 747 C CG TRP 100 . . A 1 -2.133 81.683 48.538 1.00 18.39 ? CG TRP 100 A 1 +ATOM 748 C CD1 TRP 100 . . A 1 -2.729 82.828 49.114 1.00 18.87 ? CD1 TRP 100 A 1 +ATOM 749 C CD2 TRP 100 . . A 1 -2.332 80.619 49.423 1.00 16.27 ? CD2 TRP 100 A 1 +ATOM 750 N NE1 TRP 100 . . A 1 -3.304 82.509 50.294 1.00 20.89 ? NE1 TRP 100 A 1 +ATOM 751 C CE2 TRP 100 . . A 1 -3.111 81.179 50.541 1.00 14.55 ? CE2 TRP 100 A 1 +ATOM 752 C CE3 TRP 100 . . A 1 -2.010 79.260 49.404 1.00 17 ? CE3 TRP 100 A 1 +ATOM 753 C CZ2 TRP 100 . . A 1 -3.551 80.332 51.550 1.00 15.08 ? CZ2 TRP 100 A 1 +ATOM 754 C CZ3 TRP 100 . . A 1 -2.458 78.443 50.445 1.00 16.68 ? CZ3 TRP 100 A 1 +ATOM 755 C CH2 TRP 100 . . A 1 -3.225 78.966 51.500 1.00 20.05 ? CH2 TRP 100 A 1 +ATOM 756 N N VAL 101 . . A 1 -2.574 82.443 44.034 1.00 25.62 ? N VAL 101 A 1 +ATOM 757 C CA VAL 101 . . A 1 -2.140 82.667 42.646 1.00 23.97 ? CA VAL 101 A 1 +ATOM 758 C C VAL 101 . . A 1 -1.583 84.090 42.563 1.00 24.09 ? C VAL 101 A 1 +ATOM 759 O O VAL 101 . . A 1 -2.116 84.979 43.228 1.00 26.95 ? O VAL 101 A 1 +ATOM 760 C CB VAL 101 . . A 1 -3.342 82.445 41.686 1.00 21.2 ? CB VAL 101 A 1 +ATOM 761 C CG1 VAL 101 . . A 1 -2.914 82.450 40.222 1.00 22.08 ? CG1 VAL 101 A 1 +ATOM 762 C CG2 VAL 101 . . A 1 -4.116 81.135 41.970 1.00 21.41 ? CG2 VAL 101 A 1 +ATOM 763 N N PRO 102 . . A 1 -0.491 84.299 41.786 1.00 21.15 ? N PRO 102 A 1 +ATOM 764 C CA PRO 102 . . A 1 -0.021 85.659 41.549 1.00 21.79 ? CA PRO 102 A 1 +ATOM 765 C C PRO 102 . . A 1 -1.007 86.572 40.836 1.00 27.45 ? C PRO 102 A 1 +ATOM 766 O O PRO 102 . . A 1 -2.032 86.168 40.293 1.00 29.87 ? O PRO 102 A 1 +ATOM 767 C CB PRO 102 . . A 1 1.267 85.476 40.748 1.00 18.71 ? CB PRO 102 A 1 +ATOM 768 C CG PRO 102 . . A 1 1.739 84.039 41.042 1.00 19.23 ? CG PRO 102 A 1 +ATOM 769 C CD PRO 102 . . A 1 0.455 83.261 41.369 1.00 21.1 ? CD PRO 102 A 1 +ATOM 770 N N SER 103 . . A 1 -0.639 87.853 40.861 1.00 31.89 ? N SER 103 A 1 +ATOM 771 C CA SER 103 . . A 1 -1.418 88.895 40.214 1.00 36.65 ? CA SER 103 A 1 +ATOM 772 C C SER 103 . . A 1 -0.335 89.673 39.495 1.00 40.27 ? C SER 103 A 1 +ATOM 773 O O SER 103 . . A 1 0.624 90.067 40.149 1.00 45.43 ? O SER 103 A 1 +ATOM 774 C CB SER 103 . . A 1 -2.139 89.825 41.201 1.00 33.6 ? CB SER 103 A 1 +ATOM 775 O OG SER 103 . . A 1 -2.995 90.716 40.485 1.00 36.95 ? OG SER 103 A 1 +ATOM 776 N N PRO 104 . . A 1 -0.464 89.891 38.178 1.00 39.36 ? N PRO 104 A 1 +ATOM 777 C CA PRO 104 . . A 1 -1.536 89.364 37.338 1.00 34.51 ? CA PRO 104 A 1 +ATOM 778 C C PRO 104 . . A 1 -1.392 87.856 37.227 1.00 29.79 ? C PRO 104 A 1 +ATOM 779 O O PRO 104 . . A 1 -0.305 87.316 37.385 1.00 27.4 ? O PRO 104 A 1 +ATOM 780 C CB PRO 104 . . A 1 -1.295 90.051 35.988 1.00 39.4 ? CB PRO 104 A 1 +ATOM 781 C CG PRO 104 . . A 1 0.176 90.518 35.995 1.00 40.72 ? CG PRO 104 A 1 +ATOM 782 C CD PRO 104 . . A 1 0.561 90.646 37.471 1.00 40.1 ? CD PRO 104 A 1 +ATOM 783 N N ARG 105 . . A 1 -2.532 87.204 36.976 1.00 25.21 ? N ARG 105 A 1 +ATOM 784 C CA ARG 105 . . A 1 -2.520 85.753 36.840 1.00 25.56 ? CA ARG 105 A 1 +ATOM 785 C C ARG 105 . . A 1 -1.487 85.352 35.791 1.00 28.23 ? C ARG 105 A 1 +ATOM 786 O O ARG 105 . . A 1 -1.502 85.940 34.720 1.00 31.77 ? O ARG 105 A 1 +ATOM 787 C CB ARG 105 . . A 1 -3.902 85.296 36.371 1.00 23.36 ? CB ARG 105 A 1 +ATOM 788 C CG ARG 105 . . A 1 -4.102 83.777 36.413 1.00 25.28 ? CG ARG 105 A 1 +ATOM 789 C CD ARG 105 . . A 1 -5.452 83.331 35.826 1.00 33.93 ? CD ARG 105 A 1 +ATOM 790 N NE ARG 105 . . A 1 -6.571 84.129 36.333 1.00 38.86 ? NE ARG 105 A 1 +ATOM 791 C CZ ARG 105 . . A 1 -7.844 83.856 35.996 1.00 40.85 ? CZ ARG 105 A 1 +ATOM 792 N NH1 ARG 105 . . A 1 -8.146 82.852 35.176 1.00 45.02 ? NH1 ARG 105 A 1 +ATOM 793 N NH2 ARG 105 . . A 1 -8.831 84.600 36.485 1.00 41.71 ? NH2 ARG 105 A 1 +ATOM 794 N N PRO 106 . . A 1 -0.605 84.386 36.088 1.00 30.08 ? N PRO 106 A 1 +ATOM 795 C CA PRO 106 . . A 1 0.352 83.921 35.084 1.00 30.73 ? CA PRO 106 A 1 +ATOM 796 C C PRO 106 . . A 1 -0.389 83.037 34.076 1.00 32.25 ? C PRO 106 A 1 +ATOM 797 O O PRO 106 . . A 1 -1.511 82.591 34.312 1.00 32.38 ? O PRO 106 A 1 +ATOM 798 C CB PRO 106 . . A 1 1.400 83.140 35.902 1.00 30.25 ? CB PRO 106 A 1 +ATOM 799 C CG PRO 106 . . A 1 0.702 82.765 37.223 1.00 31.36 ? CG PRO 106 A 1 +ATOM 800 C CD PRO 106 . . A 1 -0.475 83.744 37.389 1.00 29.44 ? CD PRO 106 A 1 +ATOM 801 N N LYS 107 . . A 1 0.301 82.769 32.946 1.00 30.72 ? N LYS 107 A 1 +ATOM 802 C CA LYS 107 . . A 1 -0.264 81.958 31.873 1.00 27.34 ? CA LYS 107 A 1 +ATOM 803 C C LYS 107 . . A 1 -0.089 80.476 32.151 1.00 26.12 ? C LYS 107 A 1 +ATOM 804 O O LYS 107 . . A 1 -1.005 79.674 32.119 1.00 25.2 ? O LYS 107 A 1 +ATOM 805 C CB LYS 107 . . A 1 0.287 82.423 30.530 1.00 28.41 ? CB LYS 107 A 1 +ATOM 806 N N SER 108 . . A 1 1.144 80.134 32.430 1.00 25.79 ? N SER 108 A 1 +ATOM 807 C CA SER 108 . . A 1 1.465 78.762 32.780 1.00 29.14 ? CA SER 108 A 1 +ATOM 808 C C SER 108 . . A 1 2.701 78.929 33.610 1.00 30.57 ? C SER 108 A 1 +ATOM 809 O O SER 108 . . A 1 3.641 79.517 33.095 1.00 30.49 ? O SER 108 A 1 +ATOM 810 C CB SER 108 . . A 1 1.841 77.916 31.571 1.00 28.68 ? CB SER 108 A 1 +ATOM 811 O OG SER 108 . . A 1 0.699 77.249 31.060 1.00 37.53 ? OG SER 108 A 1 +ATOM 812 N N THR 109 . . A 1 2.696 78.444 34.861 1.00 29.7 ? N THR 109 A 1 +ATOM 813 C CA THR 109 . . A 1 3.864 78.570 35.721 1.00 25.6 ? CA THR 109 A 1 +ATOM 814 C C THR 109 . . A 1 3.887 77.365 36.631 1.00 25.96 ? C THR 109 A 1 +ATOM 815 O O THR 109 . . A 1 2.918 76.606 36.626 1.00 28.79 ? O THR 109 A 1 +ATOM 816 C CB THR 109 . . A 1 3.839 79.919 36.435 1.00 22.51 ? CB THR 109 A 1 +ATOM 817 O OG1 THR 109 . . A 1 5.133 80.163 36.970 1.00 30.15 ? OG1 THR 109 A 1 +ATOM 818 C CG2 THR 109 . . A 1 2.746 80.107 37.496 1.00 20.47 ? CG2 THR 109 A 1 +ATOM 819 N N THR 110 . . A 1 4.999 77.202 37.372 1.00 20.3 ? N THR 110 A 1 +ATOM 820 C CA THR 110 . . A 1 5.191 76.072 38.277 1.00 16.91 ? CA THR 110 A 1 +ATOM 821 C C THR 110 . . A 1 4.161 76.062 39.382 1.00 16.26 ? C THR 110 A 1 +ATOM 822 O O THR 110 . . A 1 3.648 77.099 39.804 1.00 16.76 ? O THR 110 A 1 +ATOM 823 C CB THR 110 . . A 1 6.597 76.167 38.862 1.00 17.56 ? CB THR 110 A 1 +ATOM 824 O OG1 THR 110 . . A 1 7.482 76.435 37.782 1.00 19.32 ? OG1 THR 110 A 1 +ATOM 825 C CG2 THR 110 . . A 1 7.093 74.903 39.562 1.00 17.74 ? CG2 THR 110 A 1 +ATOM 826 N N VAL 111 . . A 1 3.905 74.847 39.850 1.00 12.04 ? N VAL 111 A 1 +ATOM 827 C CA VAL 111 . . A 1 2.933 74.650 40.884 1.00 12.71 ? CA VAL 111 A 1 +ATOM 828 C C VAL 111 . . A 1 3.619 73.910 42.015 1.00 13.45 ? C VAL 111 A 1 +ATOM 829 O O VAL 111 . . A 1 4.440 73.036 41.749 1.00 8.98 ? O VAL 111 A 1 +ATOM 830 C CB VAL 111 . . A 1 1.822 73.790 40.267 1.00 10.48 ? CB VAL 111 A 1 +ATOM 831 C CG1 VAL 111 . . A 1 0.650 73.518 41.209 1.00 17.35 ? CG1 VAL 111 A 1 +ATOM 832 C CG2 VAL 111 . . A 1 1.294 74.387 38.961 1.00 10.89 ? CG2 VAL 111 A 1 +ATOM 833 N N MET 112 . . A 1 3.268 74.270 43.272 1.00 13.92 ? N MET 112 A 1 +ATOM 834 C CA MET 112 . . A 1 3.810 73.625 44.465 1.00 8.38 ? CA MET 112 A 1 +ATOM 835 C C MET 112 . . A 1 2.588 73.253 45.273 1.00 10.42 ? C MET 112 A 1 +ATOM 836 O O MET 112 . . A 1 1.780 74.125 45.580 1.00 12.73 ? O MET 112 A 1 +ATOM 837 C CB MET 112 . . A 1 4.730 74.574 45.226 1.00 2.88 ? CB MET 112 A 1 +ATOM 838 C CG MET 112 . . A 1 5.907 75.036 44.352 1.00 2 ? CG MET 112 A 1 +ATOM 839 S SD MET 112 . . A 1 7.230 75.786 45.353 1.00 8.8 ? SD MET 112 A 1 +ATOM 840 C CE MET 112 . . A 1 7.892 74.272 46.113 1.00 5.32 ? CE MET 112 A 1 +ATOM 841 N N VAL 113 . . A 1 2.431 71.954 45.563 1.00 9.72 ? N VAL 113 A 1 +ATOM 842 C CA VAL 113 . . A 1 1.284 71.466 46.333 1.00 9.94 ? CA VAL 113 A 1 +ATOM 843 C C VAL 113 . . A 1 1.840 71.047 47.683 1.00 12.79 ? C VAL 113 A 1 +ATOM 844 O O VAL 113 . . A 1 2.714 70.192 47.747 1.00 17.85 ? O VAL 113 A 1 +ATOM 845 C CB VAL 113 . . A 1 0.700 70.192 45.662 1.00 8.48 ? CB VAL 113 A 1 +ATOM 846 C CG1 VAL 113 . . A 1 -0.476 69.582 46.422 1.00 5.76 ? CG1 VAL 113 A 1 +ATOM 847 C CG2 VAL 113 . . A 1 0.339 70.337 44.185 1.00 5.88 ? CG2 VAL 113 A 1 +ATOM 848 N N TRP 114 . . A 1 1.310 71.613 48.756 1.00 13.62 ? N TRP 114 A 1 +ATOM 849 C CA TRP 114 . . A 1 1.767 71.319 50.113 1.00 13.84 ? CA TRP 114 A 1 +ATOM 850 C C TRP 114 . . A 1 0.871 70.289 50.789 1.00 13.2 ? C TRP 114 A 1 +ATOM 851 O O TRP 114 . . A 1 -0.340 70.506 50.888 1.00 16.95 ? O TRP 114 A 1 +ATOM 852 C CB TRP 114 . . A 1 1.693 72.653 50.908 1.00 15.62 ? CB TRP 114 A 1 +ATOM 853 C CG TRP 114 . . A 1 2.009 72.493 52.386 1.00 16.04 ? CG TRP 114 A 1 +ATOM 854 C CD1 TRP 114 . . A 1 1.093 72.608 53.465 1.00 16.62 ? CD1 TRP 114 A 1 +ATOM 855 C CD2 TRP 114 . . A 1 3.257 72.186 52.940 1.00 12.64 ? CD2 TRP 114 A 1 +ATOM 856 N NE1 TRP 114 . . A 1 1.724 72.376 54.643 1.00 14.39 ? NE1 TRP 114 A 1 +ATOM 857 C CE2 TRP 114 . . A 1 3.044 72.106 54.395 1.00 10.99 ? CE2 TRP 114 A 1 +ATOM 858 C CE3 TRP 114 . . A 1 4.520 71.943 52.408 1.00 12.85 ? CE3 TRP 114 A 1 +ATOM 859 C CZ2 TRP 114 . . A 1 4.130 71.810 55.211 1.00 10.13 ? CZ2 TRP 114 A 1 +ATOM 860 C CZ3 TRP 114 . . A 1 5.589 71.640 53.260 1.00 9.96 ? CZ3 TRP 114 A 1 +ATOM 861 C CH2 TRP 114 . . A 1 5.392 71.573 54.643 1.00 9.36 ? CH2 TRP 114 A 1 +ATOM 862 N N ILE 115 . . A 1 1.487 69.200 51.262 1.00 12.94 ? N ILE 115 A 1 +ATOM 863 C CA ILE 115 . . A 1 0.812 68.126 51.991 1.00 11.91 ? CA ILE 115 A 1 +ATOM 864 C C ILE 115 . . A 1 1.353 68.264 53.426 1.00 17.84 ? C ILE 115 A 1 +ATOM 865 O O ILE 115 . . A 1 2.548 68.034 53.654 1.00 21.48 ? O ILE 115 A 1 +ATOM 866 C CB ILE 115 . . A 1 1.185 66.764 51.380 1.00 8.5 ? CB ILE 115 A 1 +ATOM 867 C CG1 ILE 115 . . A 1 1.022 66.806 49.833 1.00 6.95 ? CG1 ILE 115 A 1 +ATOM 868 C CG2 ILE 115 . . A 1 0.438 65.597 52.059 1.00 2.5 ? CG2 ILE 115 A 1 +ATOM 869 C CD1 ILE 115 . . A 1 1.134 65.447 49.121 1.00 5.12 ? CD1 ILE 115 A 1 +ATOM 870 N N TYR 116 . . A 1 0.453 68.652 54.372 1.00 16.62 ? N TYR 116 A 1 +ATOM 871 C CA TYR 116 . . A 1 0.810 68.865 55.784 1.00 11.94 ? CA TYR 116 A 1 +ATOM 872 C C TYR 116 . . A 1 1.152 67.614 56.581 1.00 14.71 ? C TYR 116 A 1 +ATOM 873 O O TYR 116 . . A 1 0.761 66.489 56.293 1.00 16.59 ? O TYR 116 A 1 +ATOM 874 C CB TYR 116 . . A 1 -0.278 69.648 56.545 1.00 9.8 ? CB TYR 116 A 1 +ATOM 875 C CG TYR 116 . . A 1 -1.647 69.008 56.579 1.00 8.1 ? CG TYR 116 A 1 +ATOM 876 C CD1 TYR 116 . . A 1 -1.881 67.740 57.158 1.00 9.71 ? CD1 TYR 116 A 1 +ATOM 877 C CD2 TYR 116 . . A 1 -2.725 69.704 56.022 1.00 7.13 ? CD2 TYR 116 A 1 +ATOM 878 C CE1 TYR 116 . . A 1 -3.169 67.182 57.164 1.00 6.62 ? CE1 TYR 116 A 1 +ATOM 879 C CE2 TYR 116 . . A 1 -4.006 69.153 56.019 1.00 3.94 ? CE2 TYR 116 A 1 +ATOM 880 C CZ TYR 116 . . A 1 -4.225 67.898 56.586 1.00 4.37 ? CZ TYR 116 A 1 +ATOM 881 O OH TYR 116 . . A 1 -5.500 67.391 56.594 1.00 10.79 ? OH TYR 116 A 1 +ATOM 882 N N GLY 117 . . A 1 1.886 67.862 57.656 1.00 16.91 ? N GLY 117 A 1 +ATOM 883 C CA GLY 117 . . A 1 2.315 66.812 58.550 1.00 14.98 ? CA GLY 117 A 1 +ATOM 884 C C GLY 117 . . A 1 1.378 66.772 59.725 1.00 16.3 ? C GLY 117 A 1 +ATOM 885 O O GLY 117 . . A 1 0.361 67.469 59.779 1.00 13.8 ? O GLY 117 A 1 +ATOM 886 N N GLY 118 . . A 1 1.802 65.935 60.691 1.00 17.02 ? N GLY 118 A 1 +ATOM 887 C CA GLY 118 . . A 1 1.026 65.735 61.919 1.00 11.44 ? CA GLY 118 A 1 +ATOM 888 C C GLY 118 . . A 1 0.969 64.274 62.377 1.00 8.72 ? C GLY 118 A 1 +ATOM 889 O O GLY 118 . . A 1 -0.008 63.845 62.978 1.00 5.62 ? O GLY 118 A 1 +ATOM 890 N N GLY 119 . . A 1 2.020 63.492 62.055 1.00 2 ? N GLY 119 A 1 +ATOM 891 C CA GLY 119 . . A 1 1.985 62.085 62.487 1.00 5.94 ? CA GLY 119 A 1 +ATOM 892 C C GLY 119 . . A 1 0.749 61.270 62.079 1.00 8.79 ? C GLY 119 A 1 +ATOM 893 O O GLY 119 . . A 1 0.359 60.285 62.688 1.00 13.5 ? O GLY 119 A 1 +ATOM 894 N N PHE 120 . . A 1 0.105 61.718 61.013 1.00 11.22 ? N PHE 120 A 1 +ATOM 895 C CA PHE 120 . . A 1 -1.093 61.067 60.490 1.00 12.14 ? CA PHE 120 A 1 +ATOM 896 C C PHE 120 . . A 1 -2.344 61.235 61.335 1.00 15.23 ? C PHE 120 A 1 +ATOM 897 O O PHE 120 . . A 1 -3.405 60.852 60.864 1.00 15.16 ? O PHE 120 A 1 +ATOM 898 C CB PHE 120 . . A 1 -0.898 59.592 60.086 1.00 11.92 ? CB PHE 120 A 1 +ATOM 899 C CG PHE 120 . . A 1 -0.021 59.437 58.865 1.00 11.41 ? CG PHE 120 A 1 +ATOM 900 C CD1 PHE 120 . . A 1 -0.517 59.828 57.608 1.00 11.7 ? CD1 PHE 120 A 1 +ATOM 901 C CD2 PHE 120 . . A 1 1.272 58.896 58.957 1.00 12.73 ? CD2 PHE 120 A 1 +ATOM 902 C CE1 PHE 120 . . A 1 0.257 59.674 56.456 1.00 11.52 ? CE1 PHE 120 A 1 +ATOM 903 C CE2 PHE 120 . . A 1 2.049 58.734 57.798 1.00 14.44 ? CE2 PHE 120 A 1 +ATOM 904 C CZ PHE 120 . . A 1 1.542 59.125 56.554 1.00 14.34 ? CZ PHE 120 A 1 +ATOM 905 N N TYR 121 . . A 1 -2.252 61.817 62.554 1.00 19.62 ? N TYR 121 A 1 +ATOM 906 C CA TYR 121 . . A 1 -3.430 62.023 63.438 1.00 13.61 ? CA TYR 121 A 1 +ATOM 907 C C TYR 121 . . A 1 -3.834 63.487 63.533 1.00 12.9 ? C TYR 121 A 1 +ATOM 908 O O TYR 121 . . A 1 -4.836 63.806 64.170 1.00 15.56 ? O TYR 121 A 1 +ATOM 909 C CB TYR 121 . . A 1 -3.222 61.517 64.891 1.00 11.91 ? CB TYR 121 A 1 +ATOM 910 C CG TYR 121 . . A 1 -2.162 62.299 65.637 1.00 11.99 ? CG TYR 121 A 1 +ATOM 911 C CD1 TYR 121 . . A 1 -0.821 61.913 65.545 1.00 12.64 ? CD1 TYR 121 A 1 +ATOM 912 C CD2 TYR 121 . . A 1 -2.498 63.446 66.378 1.00 8.96 ? CD2 TYR 121 A 1 +ATOM 913 C CE1 TYR 121 . . A 1 0.169 62.668 66.173 1.00 16.39 ? CE1 TYR 121 A 1 +ATOM 914 C CE2 TYR 121 . . A 1 -1.511 64.207 67.010 1.00 10.84 ? CE2 TYR 121 A 1 +ATOM 915 C CZ TYR 121 . . A 1 -0.169 63.811 66.912 1.00 16.22 ? CZ TYR 121 A 1 +ATOM 916 O OH TYR 121 . . A 1 0.852 64.505 67.542 1.00 20.04 ? OH TYR 121 A 1 +ATOM 917 N N SER 122 . . A 1 -3.043 64.388 62.951 1.00 12.66 ? N SER 122 A 1 +ATOM 918 C CA SER 122 . . A 1 -3.433 65.783 63.028 1.00 13.78 ? CA SER 122 A 1 +ATOM 919 C C SER 122 . . A 1 -2.996 66.469 61.746 1.00 15.52 ? C SER 122 A 1 +ATOM 920 O O SER 122 . . A 1 -2.343 65.840 60.917 1.00 19 ? O SER 122 A 1 +ATOM 921 C CB SER 122 . . A 1 -2.833 66.390 64.309 1.00 15.76 ? CB SER 122 A 1 +ATOM 922 O OG SER 122 . . A 1 -1.385 66.399 64.278 1.00 15.94 ? OG SER 122 A 1 +ATOM 923 N N GLY 123 . . A 1 -3.381 67.749 61.621 1.00 14.94 ? N GLY 123 A 1 +ATOM 924 C CA GLY 123 . . A 1 -2.982 68.541 60.481 1.00 12.91 ? CA GLY 123 A 1 +ATOM 925 C C GLY 123 . . A 1 -4.081 69.464 59.985 1.00 14.38 ? C GLY 123 A 1 +ATOM 926 O O GLY 123 . . A 1 -5.277 69.204 60.076 1.00 17.47 ? O GLY 123 A 1 +ATOM 927 N N SER 124 . . A 1 -3.667 70.609 59.463 1.00 12.13 ? N SER 124 A 1 +ATOM 928 C CA SER 124 . . A 1 -4.608 71.546 58.902 1.00 15.36 ? CA SER 124 A 1 +ATOM 929 C C SER 124 . . A 1 -3.839 72.263 57.826 1.00 19.62 ? C SER 124 A 1 +ATOM 930 O O SER 124 . . A 1 -2.623 72.360 57.868 1.00 21.18 ? O SER 124 A 1 +ATOM 931 C CB SER 124 . . A 1 -5.124 72.554 59.919 1.00 16.61 ? CB SER 124 A 1 +ATOM 932 O OG SER 124 . . A 1 -5.954 71.920 60.876 1.00 22.82 ? OG SER 124 A 1 +ATOM 933 N N SER 125 . . A 1 -4.571 72.752 56.839 1.00 20.53 ? N SER 125 A 1 +ATOM 934 C CA SER 125 . . A 1 -3.953 73.469 55.739 1.00 19.71 ? CA SER 125 A 1 +ATOM 935 C C SER 125 . . A 1 -4.045 74.981 55.940 1.00 19.53 ? C SER 125 A 1 +ATOM 936 O O SER 125 . . A 1 -3.391 75.776 55.296 1.00 23.23 ? O SER 125 A 1 +ATOM 937 C CB SER 125 . . A 1 -4.691 73.059 54.458 1.00 16 ? CB SER 125 A 1 +ATOM 938 O OG SER 125 . . A 1 -6.096 73.286 54.626 1.00 20.88 ? OG SER 125 A 1 +ATOM 939 N N THR 126 . . A 1 -4.918 75.336 56.865 1.00 17.15 ? N THR 126 A 1 +ATOM 940 C CA THR 126 . . A 1 -5.267 76.683 57.258 1.00 16.37 ? CA THR 126 A 1 +ATOM 941 C C THR 126 . . A 1 -4.343 77.317 58.289 1.00 15.76 ? C THR 126 A 1 +ATOM 942 O O THR 126 . . A 1 -4.533 78.441 58.740 1.00 19.46 ? O THR 126 A 1 +ATOM 943 C CB THR 126 . . A 1 -6.684 76.536 57.859 1.00 18.02 ? CB THR 126 A 1 +ATOM 944 O OG1 THR 126 . . A 1 -6.568 75.606 58.952 1.00 21.85 ? OG1 THR 126 A 1 +ATOM 945 C CG2 THR 126 . . A 1 -7.685 75.878 56.882 1.00 14.37 ? CG2 THR 126 A 1 +ATOM 946 N N LEU 127 . . A 1 -3.337 76.562 58.719 1.00 13.5 ? N LEU 127 A 1 +ATOM 947 C CA LEU 127 . . A 1 -2.451 77.133 59.722 1.00 11.7 ? CA LEU 127 A 1 +ATOM 948 C C LEU 127 . . A 1 -1.705 78.306 59.147 1.00 12.34 ? C LEU 127 A 1 +ATOM 949 O O LEU 127 . . A 1 -1.409 78.366 57.975 1.00 17.17 ? O LEU 127 A 1 +ATOM 950 C CB LEU 127 . . A 1 -1.422 76.104 60.212 1.00 9.96 ? CB LEU 127 A 1 +ATOM 951 C CG LEU 127 . . A 1 -2.002 74.756 60.677 1.00 7.51 ? CG LEU 127 A 1 +ATOM 952 C CD1 LEU 127 . . A 1 -0.870 73.911 61.282 1.00 9.8 ? CD1 LEU 127 A 1 +ATOM 953 C CD2 LEU 127 . . A 1 -3.143 74.925 61.696 1.00 6.16 ? CD2 LEU 127 A 1 +ATOM 954 N N ASP 128 . . A 1 -1.321 79.238 59.977 1.00 13.92 ? N ASP 128 A 1 +ATOM 955 C CA ASP 128 . . A 1 -0.609 80.406 59.501 1.00 16.51 ? CA ASP 128 A 1 +ATOM 956 C C ASP 128 . . A 1 0.772 80.081 59.013 1.00 15.68 ? C ASP 128 A 1 +ATOM 957 O O ASP 128 . . A 1 1.313 80.837 58.228 1.00 18.82 ? O ASP 128 A 1 +ATOM 958 C CB ASP 128 . . A 1 -0.487 81.527 60.544 1.00 23.3 ? CB ASP 128 A 1 +ATOM 959 C CG ASP 128 . . A 1 -1.804 82.083 61.084 1.00 28.62 ? CG ASP 128 A 1 +ATOM 960 O OD1 ASP 128 . . A 1 -2.870 81.733 60.572 1.00 36.47 ? OD1 ASP 128 A 1 +ATOM 961 O OD2 ASP 128 . . A 1 -1.751 82.873 62.029 1.00 35.21 ? OD2 ASP 128 A 1 +ATOM 962 N N VAL 129 . . A 1 1.374 78.973 59.458 1.00 16.76 ? N VAL 129 A 1 +ATOM 963 C CA VAL 129 . . A 1 2.721 78.716 58.919 1.00 17.51 ? CA VAL 129 A 1 +ATOM 964 C C VAL 129 . . A 1 2.614 78.002 57.572 1.00 20.95 ? C VAL 129 A 1 +ATOM 965 O O VAL 129 . . A 1 3.617 77.561 57.037 1.00 24.78 ? O VAL 129 A 1 +ATOM 966 C CB VAL 129 . . A 1 3.617 77.937 59.912 1.00 9.97 ? CB VAL 129 A 1 +ATOM 967 C CG1 VAL 129 . . A 1 4.157 78.846 61.020 1.00 15.67 ? CG1 VAL 129 A 1 +ATOM 968 C CG2 VAL 129 . . A 1 2.894 76.746 60.546 1.00 7.52 ? CG2 VAL 129 A 1 +ATOM 969 N N TYR 130 . . A 1 1.381 77.844 57.063 1.00 17.72 ? N TYR 130 A 1 +ATOM 970 C CA TYR 130 . . A 1 1.176 77.188 55.783 1.00 15.58 ? CA TYR 130 A 1 +ATOM 971 C C TYR 130 . . A 1 0.429 78.157 54.867 1.00 22.21 ? C TYR 130 A 1 +ATOM 972 O O TYR 130 . . A 1 -0.228 77.797 53.894 1.00 24.39 ? O TYR 130 A 1 +ATOM 973 C CB TYR 130 . . A 1 0.299 75.934 55.952 1.00 11.62 ? CB TYR 130 A 1 +ATOM 974 C CG TYR 130 . . A 1 0.825 74.823 56.857 1.00 9.44 ? CG TYR 130 A 1 +ATOM 975 C CD1 TYR 130 . . A 1 2.180 74.673 57.197 1.00 5.49 ? CD1 TYR 130 A 1 +ATOM 976 C CD2 TYR 130 . . A 1 -0.092 73.884 57.363 1.00 8.88 ? CD2 TYR 130 A 1 +ATOM 977 C CE1 TYR 130 . . A 1 2.591 73.611 58.022 1.00 6.11 ? CE1 TYR 130 A 1 +ATOM 978 C CE2 TYR 130 . . A 1 0.320 72.812 58.171 1.00 5.33 ? CE2 TYR 130 A 1 +ATOM 979 C CZ TYR 130 . . A 1 1.671 72.666 58.500 1.00 7.17 ? CZ TYR 130 A 1 +ATOM 980 O OH TYR 130 . . A 1 2.143 71.595 59.244 1.00 4.45 ? OH TYR 130 A 1 +ATOM 981 N N ASN 131 . . A 1 0.493 79.452 55.222 1.00 24.81 ? N ASN 131 A 1 +ATOM 982 C CA ASN 131 . . A 1 -0.197 80.445 54.400 1.00 23.92 ? CA ASN 131 A 1 +ATOM 983 C C ASN 131 . . A 1 0.734 80.708 53.237 1.00 23.49 ? C ASN 131 A 1 +ATOM 984 O O ASN 131 . . A 1 1.803 81.283 53.393 1.00 25.76 ? O ASN 131 A 1 +ATOM 985 C CB ASN 131 . . A 1 -0.482 81.708 55.217 1.00 24.47 ? CB ASN 131 A 1 +ATOM 986 C CG ASN 131 . . A 1 -1.187 82.722 54.362 1.00 22.55 ? CG ASN 131 A 1 +ATOM 987 O OD1 ASN 131 . . A 1 -0.626 83.207 53.402 1.00 22.56 ? OD1 ASN 131 A 1 +ATOM 988 N ND2 ASN 131 . . A 1 -2.427 83.044 54.691 1.00 27.84 ? ND2 ASN 131 A 1 +ATOM 989 N N GLY 132 . . A 1 0.325 80.257 52.049 1.00 25.22 ? N GLY 132 A 1 +ATOM 990 C CA GLY 132 . . A 1 1.201 80.415 50.887 1.00 24.01 ? CA GLY 132 A 1 +ATOM 991 C C GLY 132 . . A 1 1.292 81.780 50.223 1.00 24.53 ? C GLY 132 A 1 +ATOM 992 O O GLY 132 . . A 1 1.938 81.880 49.181 1.00 22.81 ? O GLY 132 A 1 +ATOM 993 N N LYS 133 . . A 1 0.691 82.840 50.796 1.00 23.16 ? N LYS 133 A 1 +ATOM 994 C CA LYS 133 . . A 1 0.787 84.142 50.126 1.00 20.32 ? CA LYS 133 A 1 +ATOM 995 C C LYS 133 . . A 1 2.206 84.627 49.859 1.00 20.65 ? C LYS 133 A 1 +ATOM 996 O O LYS 133 . . A 1 2.522 85.208 48.831 1.00 21.83 ? O LYS 133 A 1 +ATOM 997 C CB LYS 133 . . A 1 0.023 85.259 50.877 1.00 16.95 ? CB LYS 133 A 1 +ATOM 998 C CG LYS 133 . . A 1 0.713 85.863 52.142 1.00 22.4 ? CG LYS 133 A 1 +ATOM 999 C CD LYS 133 . . A 1 -0.033 87.022 52.852 1.00 20.59 ? CD LYS 133 A 1 +ATOM 1000 C CE LYS 133 . . A 1 -1.463 86.654 53.243 1.00 30.03 ? CE LYS 133 A 1 +ATOM 1001 N NZ LYS 133 . . A 1 -2.093 87.733 53.974 1.00 36.8 ? NZ LYS 133 A 1 +ATOM 1002 N N TYR 134 . . A 1 3.082 84.366 50.816 1.00 21.5 ? N TYR 134 A 1 +ATOM 1003 C CA TYR 134 . . A 1 4.442 84.873 50.659 1.00 22.9 ? CA TYR 134 A 1 +ATOM 1004 C C TYR 134 . . A 1 5.211 84.124 49.615 1.00 22.76 ? C TYR 134 A 1 +ATOM 1005 O O TYR 134 . . A 1 5.920 84.695 48.808 1.00 22.22 ? O TYR 134 A 1 +ATOM 1006 C CB TYR 134 . . A 1 5.214 84.878 52.002 1.00 25.06 ? CB TYR 134 A 1 +ATOM 1007 C CG TYR 134 . . A 1 4.405 85.495 53.122 1.00 25.21 ? CG TYR 134 A 1 +ATOM 1008 C CD1 TYR 134 . . A 1 4.387 86.883 53.331 1.00 26.12 ? CD1 TYR 134 A 1 +ATOM 1009 C CD2 TYR 134 . . A 1 3.620 84.668 53.938 1.00 27.87 ? CD2 TYR 134 A 1 +ATOM 1010 C CE1 TYR 134 . . A 1 3.581 87.440 54.333 1.00 29.44 ? CE1 TYR 134 A 1 +ATOM 1011 C CE2 TYR 134 . . A 1 2.807 85.215 54.935 1.00 30.74 ? CE2 TYR 134 A 1 +ATOM 1012 C CZ TYR 134 . . A 1 2.783 86.605 55.135 1.00 32.62 ? CZ TYR 134 A 1 +ATOM 1013 O OH TYR 134 . . A 1 1.969 87.160 56.108 1.00 36.7 ? OH TYR 134 A 1 +ATOM 1014 N N LEU 135 . . A 1 5.041 82.804 49.612 1.00 25.17 ? N LEU 135 A 1 +ATOM 1015 C CA LEU 135 . . A 1 5.786 82.023 48.620 1.00 22.13 ? CA LEU 135 A 1 +ATOM 1016 C C LEU 135 . . A 1 5.305 82.336 47.200 1.00 23.51 ? C LEU 135 A 1 +ATOM 1017 O O LEU 135 . . A 1 6.081 82.613 46.287 1.00 23.54 ? O LEU 135 A 1 +ATOM 1018 C CB LEU 135 . . A 1 5.709 80.520 48.958 1.00 13.03 ? CB LEU 135 A 1 +ATOM 1019 C CG LEU 135 . . A 1 6.761 79.635 48.278 1.00 9.29 ? CG LEU 135 A 1 +ATOM 1020 C CD1 LEU 135 . . A 1 8.181 80.179 48.469 1.00 6.96 ? CD1 LEU 135 A 1 +ATOM 1021 C CD2 LEU 135 . . A 1 6.710 78.203 48.836 1.00 2 ? CD2 LEU 135 A 1 +ATOM 1022 N N ALA 136 . . A 1 3.969 82.313 47.054 1.00 22.76 ? N ALA 136 A 1 +ATOM 1023 C CA ALA 136 . . A 1 3.352 82.583 45.765 1.00 22.99 ? CA ALA 136 A 1 +ATOM 1024 C C ALA 136 . . A 1 3.797 83.909 45.190 1.00 26.43 ? C ALA 136 A 1 +ATOM 1025 O O ALA 136 . . A 1 4.072 84.061 44.008 1.00 31.51 ? O ALA 136 A 1 +ATOM 1026 C CB ALA 136 . . A 1 1.822 82.620 45.886 1.00 24.06 ? CB ALA 136 A 1 +ATOM 1027 N N TYR 137 . . A 1 3.864 84.891 46.075 1.00 25.08 ? N TYR 137 A 1 +ATOM 1028 C CA TYR 137 . . A 1 4.259 86.228 45.667 1.00 21.07 ? CA TYR 137 A 1 +ATOM 1029 C C TYR 137 . . A 1 5.752 86.352 45.390 1.00 19.78 ? C TYR 137 A 1 +ATOM 1030 O O TYR 137 . . A 1 6.186 86.678 44.302 1.00 22.62 ? O TYR 137 A 1 +ATOM 1031 C CB TYR 137 . . A 1 3.776 87.176 46.780 1.00 21.86 ? CB TYR 137 A 1 +ATOM 1032 C CG TYR 137 . . A 1 4.207 88.596 46.587 1.00 25.22 ? CG TYR 137 A 1 +ATOM 1033 C CD1 TYR 137 . . A 1 5.469 89.006 47.056 1.00 26.11 ? CD1 TYR 137 A 1 +ATOM 1034 C CD2 TYR 137 . . A 1 3.390 89.502 45.897 1.00 27.33 ? CD2 TYR 137 A 1 +ATOM 1035 C CE1 TYR 137 . . A 1 5.934 90.303 46.813 1.00 26.02 ? CE1 TYR 137 A 1 +ATOM 1036 C CE2 TYR 137 . . A 1 3.861 90.803 45.650 1.00 29.82 ? CE2 TYR 137 A 1 +ATOM 1037 C CZ TYR 137 . . A 1 5.131 91.205 46.099 1.00 27.3 ? CZ TYR 137 A 1 +ATOM 1038 O OH TYR 137 . . A 1 5.590 92.473 45.816 1.00 30.83 ? OH TYR 137 A 1 +ATOM 1039 N N THR 138 . . A 1 6.561 86.075 46.389 1.00 20.97 ? N THR 138 A 1 +ATOM 1040 C CA THR 138 . . A 1 7.994 86.219 46.226 1.00 20.55 ? CA THR 138 A 1 +ATOM 1041 C C THR 138 . . A 1 8.594 85.388 45.105 1.00 19.98 ? C THR 138 A 1 +ATOM 1042 O O THR 138 . . A 1 9.536 85.824 44.465 1.00 22.83 ? O THR 138 A 1 +ATOM 1043 C CB THR 138 . . A 1 8.658 85.913 47.603 1.00 23.61 ? CB THR 138 A 1 +ATOM 1044 O OG1 THR 138 . . A 1 8.013 86.675 48.628 1.00 26.1 ? OG1 THR 138 A 1 +ATOM 1045 C CG2 THR 138 . . A 1 10.153 86.255 47.751 1.00 24.64 ? CG2 THR 138 A 1 +ATOM 1046 N N GLU 139 . . A 1 8.076 84.177 44.875 1.00 20.94 ? N GLU 139 A 1 +ATOM 1047 C CA GLU 139 . . A 1 8.660 83.342 43.822 1.00 20.56 ? CA GLU 139 A 1 +ATOM 1048 C C GLU 139 . . A 1 7.784 83.199 42.580 1.00 24.47 ? C GLU 139 A 1 +ATOM 1049 O O GLU 139 . . A 1 8.175 82.603 41.583 1.00 25.05 ? O GLU 139 A 1 +ATOM 1050 C CB GLU 139 . . A 1 9.037 81.968 44.390 1.00 14.12 ? CB GLU 139 A 1 +ATOM 1051 C CG GLU 139 . . A 1 10.209 82.052 45.386 1.00 17.03 ? CG GLU 139 A 1 +ATOM 1052 C CD GLU 139 . . A 1 11.524 82.428 44.705 1.00 24.78 ? CD GLU 139 A 1 +ATOM 1053 O OE1 GLU 139 . . A 1 11.720 82.081 43.540 1.00 26.19 ? OE1 GLU 139 A 1 +ATOM 1054 O OE2 GLU 139 . . A 1 12.362 83.065 45.341 1.00 27.39 ? OE2 GLU 139 A 1 +ATOM 1055 N N GLU 140 . . A 1 6.575 83.751 42.655 1.00 25.5 ? N GLU 140 A 1 +ATOM 1056 C CA GLU 140 . . A 1 5.678 83.684 41.516 1.00 25.77 ? CA GLU 140 A 1 +ATOM 1057 C C GLU 140 . . A 1 5.417 82.271 41.083 1.00 23.21 ? C GLU 140 A 1 +ATOM 1058 O O GLU 140 . . A 1 5.790 81.845 40.001 1.00 24.2 ? O GLU 140 A 1 +ATOM 1059 C CB GLU 140 . . A 1 6.182 84.550 40.358 1.00 31.13 ? CB GLU 140 A 1 +ATOM 1060 C CG GLU 140 . . A 1 6.341 86.013 40.826 1.00 42.92 ? CG GLU 140 A 1 +ATOM 1061 C CD GLU 140 . . A 1 7.014 86.896 39.795 1.00 46.01 ? CD GLU 140 A 1 +ATOM 1062 O OE1 GLU 140 . . A 1 8.247 86.987 39.816 1.00 48.31 ? OE1 GLU 140 A 1 +ATOM 1063 O OE2 GLU 140 . . A 1 6.300 87.494 38.988 1.00 48.93 ? OE2 GLU 140 A 1 +ATOM 1064 N N VAL 141 . . A 1 4.758 81.551 41.978 1.00 19.1 ? N VAL 141 A 1 +ATOM 1065 C CA VAL 141 . . A 1 4.408 80.193 41.681 1.00 16.2 ? CA VAL 141 A 1 +ATOM 1066 C C VAL 141 . . A 1 2.971 80.098 42.117 1.00 17.91 ? C VAL 141 A 1 +ATOM 1067 O O VAL 141 . . A 1 2.477 80.967 42.828 1.00 19.3 ? O VAL 141 A 1 +ATOM 1068 C CB VAL 141 . . A 1 5.310 79.223 42.464 1.00 13.59 ? CB VAL 141 A 1 +ATOM 1069 C CG1 VAL 141 . . A 1 6.789 79.545 42.267 1.00 14.93 ? CG1 VAL 141 A 1 +ATOM 1070 C CG2 VAL 141 . . A 1 5.016 79.148 43.974 1.00 15.84 ? CG2 VAL 141 A 1 +ATOM 1071 N N VAL 142 . . A 1 2.297 79.049 41.667 1.00 19.99 ? N VAL 142 A 1 +ATOM 1072 C CA VAL 142 . . A 1 0.929 78.836 42.099 1.00 21.84 ? CA VAL 142 A 1 +ATOM 1073 C C VAL 142 . . A 1 1.158 77.865 43.278 1.00 25.41 ? C VAL 142 A 1 +ATOM 1074 O O VAL 142 . . A 1 1.933 76.905 43.156 1.00 28.57 ? O VAL 142 A 1 +ATOM 1075 C CB VAL 142 . . A 1 0.102 78.239 40.935 1.00 16.98 ? CB VAL 142 A 1 +ATOM 1076 C CG1 VAL 142 . . A 1 -1.294 77.780 41.354 1.00 13.15 ? CG1 VAL 142 A 1 +ATOM 1077 C CG2 VAL 142 . . A 1 -0.015 79.247 39.779 1.00 14.31 ? CG2 VAL 142 A 1 +ATOM 1078 N N LEU 143 . . A 1 0.506 78.116 44.421 1.00 20.39 ? N LEU 143 A 1 +ATOM 1079 C CA LEU 143 . . A 1 0.739 77.203 45.521 1.00 16.77 ? CA LEU 143 A 1 +ATOM 1080 C C LEU 143 . . A 1 -0.568 76.675 45.998 1.00 14.76 ? C LEU 143 A 1 +ATOM 1081 O O LEU 143 . . A 1 -1.495 77.470 46.130 1.00 16.15 ? O LEU 143 A 1 +ATOM 1082 C CB LEU 143 . . A 1 1.421 77.980 46.647 1.00 18.86 ? CB LEU 143 A 1 +ATOM 1083 C CG LEU 143 . . A 1 2.033 77.054 47.721 1.00 21.71 ? CG LEU 143 A 1 +ATOM 1084 C CD1 LEU 143 . . A 1 3.315 77.673 48.226 1.00 23.56 ? CD1 LEU 143 A 1 +ATOM 1085 C CD2 LEU 143 . . A 1 1.098 76.749 48.911 1.00 25.64 ? CD2 LEU 143 A 1 +ATOM 1086 N N VAL 144 . . A 1 -0.655 75.366 46.252 1.00 10.75 ? N VAL 144 A 1 +ATOM 1087 C CA VAL 144 . . A 1 -1.919 74.860 46.755 1.00 14.28 ? CA VAL 144 A 1 +ATOM 1088 C C VAL 144 . . A 1 -1.633 74.090 48.043 1.00 17.51 ? C VAL 144 A 1 +ATOM 1089 O O VAL 144 . . A 1 -0.498 73.691 48.307 1.00 17.97 ? O VAL 144 A 1 +ATOM 1090 C CB VAL 144 . . A 1 -2.686 74.015 45.688 1.00 13.8 ? CB VAL 144 A 1 +ATOM 1091 C CG1 VAL 144 . . A 1 -2.732 74.691 44.318 1.00 12.2 ? CG1 VAL 144 A 1 +ATOM 1092 C CG2 VAL 144 . . A 1 -2.147 72.612 45.491 1.00 12.87 ? CG2 VAL 144 A 1 +ATOM 1093 N N SER 145 . . A 1 -2.688 73.863 48.838 1.00 18.01 ? N SER 145 A 1 +ATOM 1094 C CA SER 145 . . A 1 -2.565 73.094 50.077 1.00 16.75 ? CA SER 145 A 1 +ATOM 1095 C C SER 145 . . A 1 -3.721 72.102 50.093 1.00 18.35 ? C SER 145 A 1 +ATOM 1096 O O SER 145 . . A 1 -4.841 72.534 49.830 1.00 21.33 ? O SER 145 A 1 +ATOM 1097 C CB SER 145 . . A 1 -2.752 73.997 51.294 1.00 14.17 ? CB SER 145 A 1 +ATOM 1098 O OG SER 145 . . A 1 -1.903 75.113 51.205 1.00 15.89 ? OG SER 145 A 1 +ATOM 1099 N N LEU 146 . . A 1 -3.436 70.823 50.382 1.00 16.79 ? N LEU 146 A 1 +ATOM 1100 C CA LEU 146 . . A 1 -4.478 69.793 50.431 1.00 18.68 ? CA LEU 146 A 1 +ATOM 1101 C C LEU 146 . . A 1 -5.026 69.673 51.849 1.00 20.48 ? C LEU 146 A 1 +ATOM 1102 O O LEU 146 . . A 1 -4.548 70.291 52.790 1.00 21.78 ? O LEU 146 A 1 +ATOM 1103 C CB LEU 146 . . A 1 -3.892 68.376 50.129 1.00 16.79 ? CB LEU 146 A 1 +ATOM 1104 C CG LEU 146 . . A 1 -2.875 68.317 48.994 1.00 14.27 ? CG LEU 146 A 1 +ATOM 1105 C CD1 LEU 146 . . A 1 -2.457 66.882 48.684 1.00 13.59 ? CD1 LEU 146 A 1 +ATOM 1106 C CD2 LEU 146 . . A 1 -3.470 68.973 47.764 1.00 19.32 ? CD2 LEU 146 A 1 +ATOM 1107 N N SER 147 . . A 1 -6.012 68.801 51.976 1.00 19.32 ? N SER 147 A 1 +ATOM 1108 C CA SER 147 . . A 1 -6.625 68.454 53.232 1.00 18.72 ? CA SER 147 A 1 +ATOM 1109 C C SER 147 . . A 1 -6.769 66.967 53.082 1.00 19.4 ? C SER 147 A 1 +ATOM 1110 O O SER 147 . . A 1 -6.957 66.501 51.965 1.00 22.27 ? O SER 147 A 1 +ATOM 1111 C CB SER 147 . . A 1 -8.036 69.035 53.378 1.00 20.89 ? CB SER 147 A 1 +ATOM 1112 O OG SER 147 . . A 1 -7.956 70.444 53.544 1.00 37.06 ? OG SER 147 A 1 +ATOM 1113 N N TYR 148 . . A 1 -6.666 66.195 54.149 1.00 17.63 ? N TYR 148 A 1 +ATOM 1114 C CA TYR 148 . . A 1 -6.852 64.775 54.008 1.00 13.26 ? CA TYR 148 A 1 +ATOM 1115 C C TYR 148 . . A 1 -7.206 64.252 55.354 1.00 11.54 ? C TYR 148 A 1 +ATOM 1116 O O TYR 148 . . A 1 -6.831 64.780 56.380 1.00 13.23 ? O TYR 148 A 1 +ATOM 1117 C CB TYR 148 . . A 1 -5.637 64.082 53.421 1.00 14.4 ? CB TYR 148 A 1 +ATOM 1118 C CG TYR 148 . . A 1 -4.381 64.141 54.265 1.00 9.41 ? CG TYR 148 A 1 +ATOM 1119 C CD1 TYR 148 . . A 1 -3.487 65.221 54.133 1.00 10.32 ? CD1 TYR 148 A 1 +ATOM 1120 C CD2 TYR 148 . . A 1 -4.081 63.096 55.175 1.00 10.52 ? CD2 TYR 148 A 1 +ATOM 1121 C CE1 TYR 148 . . A 1 -2.315 65.264 54.877 1.00 12.35 ? CE1 TYR 148 A 1 +ATOM 1122 C CE2 TYR 148 . . A 1 -2.915 63.128 55.942 1.00 7.28 ? CE2 TYR 148 A 1 +ATOM 1123 C CZ TYR 148 . . A 1 -2.053 64.227 55.784 1.00 8.13 ? CZ TYR 148 A 1 +ATOM 1124 O OH TYR 148 . . A 1 -0.947 64.277 56.571 1.00 10.17 ? OH TYR 148 A 1 +ATOM 1125 N N ARG 149 . . A 1 -7.992 63.207 55.347 1.00 8.06 ? N ARG 149 A 1 +ATOM 1126 C CA ARG 149 . . A 1 -8.396 62.667 56.614 1.00 7.55 ? CA ARG 149 A 1 +ATOM 1127 C C ARG 149 . . A 1 -7.230 62.040 57.315 1.00 10.66 ? C ARG 149 A 1 +ATOM 1128 O O ARG 149 . . A 1 -6.502 61.285 56.693 1.00 15.64 ? O ARG 149 A 1 +ATOM 1129 C CB ARG 149 . . A 1 -9.464 61.634 56.327 1.00 2.81 ? CB ARG 149 A 1 +ATOM 1130 C CG ARG 149 . . A 1 -10.742 62.352 55.885 1.00 4.63 ? CG ARG 149 A 1 +ATOM 1131 C CD ARG 149 . . A 1 -11.813 61.344 55.529 1.00 7.73 ? CD ARG 149 A 1 +ATOM 1132 N NE ARG 149 . . A 1 -11.515 60.858 54.207 1.00 6.6 ? NE ARG 149 A 1 +ATOM 1133 C CZ ARG 149 . . A 1 -12.149 59.825 53.671 1.00 8.52 ? CZ ARG 149 A 1 +ATOM 1134 N NH1 ARG 149 . . A 1 -12.956 59.041 54.382 1.00 5.14 ? NH1 ARG 149 A 1 +ATOM 1135 N NH2 ARG 149 . . A 1 -11.952 59.587 52.384 1.00 12.44 ? NH2 ARG 149 A 1 +ATOM 1136 N N VAL 150 . . A 1 -7.116 62.352 58.605 1.00 10.93 ? N VAL 150 A 1 +ATOM 1137 C CA VAL 150 . . A 1 -6.094 61.871 59.496 1.00 9.4 ? CA VAL 150 A 1 +ATOM 1138 C C VAL 150 . . A 1 -6.789 60.995 60.528 1.00 11.21 ? C VAL 150 A 1 +ATOM 1139 O O VAL 150 . . A 1 -8.006 60.908 60.612 1.00 10.42 ? O VAL 150 A 1 +ATOM 1140 C CB VAL 150 . . A 1 -5.471 63.106 60.162 1.00 5.14 ? CB VAL 150 A 1 +ATOM 1141 C CG1 VAL 150 . . A 1 -4.638 63.903 59.153 1.00 8.3 ? CG1 VAL 150 A 1 +ATOM 1142 C CG2 VAL 150 . . A 1 -6.524 64.009 60.828 1.00 2 ? CG2 VAL 150 A 1 +ATOM 1143 N N GLY 151 . . A 1 -6.004 60.306 61.333 1.00 8.74 ? N GLY 151 A 1 +ATOM 1144 C CA GLY 151 . . A 1 -6.612 59.499 62.367 1.00 13.27 ? CA GLY 151 A 1 +ATOM 1145 C C GLY 151 . . A 1 -7.414 58.318 61.874 1.00 13.43 ? C GLY 151 A 1 +ATOM 1146 O O GLY 151 . . A 1 -7.234 57.777 60.799 1.00 18.94 ? O GLY 151 A 1 +ATOM 1147 N N ALA 152 . . A 1 -8.338 57.913 62.734 1.00 15.81 ? N ALA 152 A 1 +ATOM 1148 C CA ALA 152 . . A 1 -9.201 56.786 62.448 1.00 15.08 ? CA ALA 152 A 1 +ATOM 1149 C C ALA 152 . . A 1 -9.902 56.996 61.142 1.00 16.48 ? C ALA 152 A 1 +ATOM 1150 O O ALA 152 . . A 1 -9.926 56.157 60.255 1.00 19.77 ? O ALA 152 A 1 +ATOM 1151 C CB ALA 152 . . A 1 -10.277 56.644 63.557 1.00 16.38 ? CB ALA 152 A 1 +ATOM 1152 N N PHE 153 . . A 1 -10.456 58.201 61.068 1.00 16.47 ? N PHE 153 A 1 +ATOM 1153 C CA PHE 153 . . A 1 -11.234 58.661 59.929 1.00 17.52 ? CA PHE 153 A 1 +ATOM 1154 C C PHE 153 . . A 1 -10.564 58.546 58.590 1.00 19.1 ? C PHE 153 A 1 +ATOM 1155 O O PHE 153 . . A 1 -11.256 58.502 57.578 1.00 22.12 ? O PHE 153 A 1 +ATOM 1156 C CB PHE 153 . . A 1 -11.598 60.141 60.079 1.00 17.58 ? CB PHE 153 A 1 +ATOM 1157 C CG PHE 153 . . A 1 -12.250 60.434 61.396 1.00 18.29 ? CG PHE 153 A 1 +ATOM 1158 C CD1 PHE 153 . . A 1 -13.592 60.077 61.604 1.00 17.81 ? CD1 PHE 153 A 1 +ATOM 1159 C CD2 PHE 153 . . A 1 -11.517 61.048 62.428 1.00 19.79 ? CD2 PHE 153 A 1 +ATOM 1160 C CE1 PHE 153 . . A 1 -14.192 60.328 62.843 1.00 19.64 ? CE1 PHE 153 A 1 +ATOM 1161 C CE2 PHE 153 . . A 1 -12.119 61.298 63.664 1.00 14.71 ? CE2 PHE 153 A 1 +ATOM 1162 C CZ PHE 153 . . A 1 -13.454 60.935 63.873 1.00 16.31 ? CZ PHE 153 A 1 +ATOM 1163 N N GLY 154 . . A 1 -9.223 58.559 58.589 1.00 17.08 ? N GLY 154 A 1 +ATOM 1164 C CA GLY 154 . . A 1 -8.510 58.461 57.335 1.00 13.2 ? CA GLY 154 A 1 +ATOM 1165 C C GLY 154 . . A 1 -7.645 57.226 57.227 1.00 16.76 ? C GLY 154 A 1 +ATOM 1166 O O GLY 154 . . A 1 -7.200 56.899 56.126 1.00 21.42 ? O GLY 154 A 1 +ATOM 1167 N N PHE 155 . . A 1 -7.410 56.495 58.332 1.00 10.13 ? N PHE 155 A 1 +ATOM 1168 C CA PHE 155 . . A 1 -6.518 55.357 58.190 1.00 4.35 ? CA PHE 155 A 1 +ATOM 1169 C C PHE 155 . . A 1 -6.946 54.070 58.856 1.00 6.32 ? C PHE 155 A 1 +ATOM 1170 O O PHE 155 . . A 1 -6.132 53.154 59.010 1.00 5.8 ? O PHE 155 A 1 +ATOM 1171 C CB PHE 155 . . A 1 -5.110 55.781 58.600 1.00 2.53 ? CB PHE 155 A 1 +ATOM 1172 C CG PHE 155 . . A 1 -4.545 56.853 57.682 1.00 7.11 ? CG PHE 155 A 1 +ATOM 1173 C CD1 PHE 155 . . A 1 -4.762 58.218 57.957 1.00 7.24 ? CD1 PHE 155 A 1 +ATOM 1174 C CD2 PHE 155 . . A 1 -3.771 56.499 56.553 1.00 8.43 ? CD2 PHE 155 A 1 +ATOM 1175 C CE1 PHE 155 . . A 1 -4.200 59.206 57.133 1.00 6.69 ? CE1 PHE 155 A 1 +ATOM 1176 C CE2 PHE 155 . . A 1 -3.213 57.491 55.732 1.00 5.43 ? CE2 PHE 155 A 1 +ATOM 1177 C CZ PHE 155 . . A 1 -3.423 58.846 56.027 1.00 3.73 ? CZ PHE 155 A 1 +ATOM 1178 N N LEU 156 . . A 1 -8.224 53.988 59.250 1.00 5.3 ? N LEU 156 A 1 +ATOM 1179 C CA LEU 156 . . A 1 -8.702 52.738 59.857 1.00 8.53 ? CA LEU 156 A 1 +ATOM 1180 C C LEU 156 . . A 1 -8.566 51.683 58.777 1.00 8.36 ? C LEU 156 A 1 +ATOM 1181 O O LEU 156 . . A 1 -8.850 51.994 57.634 1.00 10.64 ? O LEU 156 A 1 +ATOM 1182 C CB LEU 156 . . A 1 -10.174 52.893 60.269 1.00 11.58 ? CB LEU 156 A 1 +ATOM 1183 C CG LEU 156 . . A 1 -10.789 51.648 60.921 1.00 9.96 ? CG LEU 156 A 1 +ATOM 1184 C CD1 LEU 156 . . A 1 -10.048 51.273 62.201 1.00 13.48 ? CD1 LEU 156 A 1 +ATOM 1185 C CD2 LEU 156 . . A 1 -12.269 51.889 61.218 1.00 11.63 ? CD2 LEU 156 A 1 +ATOM 1186 N N ALA 157 . . A 1 -8.180 50.451 59.089 1.00 8.96 ? N ALA 157 A 1 +ATOM 1187 C CA ALA 157 . . A 1 -8.007 49.543 57.969 1.00 8.75 ? CA ALA 157 A 1 +ATOM 1188 C C ALA 157 . . A 1 -8.408 48.094 58.168 1.00 12.3 ? C ALA 157 A 1 +ATOM 1189 O O ALA 157 . . A 1 -7.582 47.229 58.464 1.00 8.91 ? O ALA 157 A 1 +ATOM 1190 C CB ALA 157 . . A 1 -6.513 49.552 57.612 1.00 8.11 ? CB ALA 157 A 1 +ATOM 1191 N N LEU 158 . . A 1 -9.694 47.818 57.925 1.00 15.41 ? N LEU 158 A 1 +ATOM 1192 C CA LEU 158 . . A 1 -10.188 46.440 58.014 1.00 18.08 ? CA LEU 158 A 1 +ATOM 1193 C C LEU 158 . . A 1 -10.000 45.902 56.602 1.00 18.96 ? C LEU 158 A 1 +ATOM 1194 O O LEU 158 . . A 1 -10.913 45.777 55.804 1.00 19.4 ? O LEU 158 A 1 +ATOM 1195 C CB LEU 158 . . A 1 -11.651 46.445 58.445 1.00 16.34 ? CB LEU 158 A 1 +ATOM 1196 C CG LEU 158 . . A 1 -11.791 46.932 59.889 1.00 16.07 ? CG LEU 158 A 1 +ATOM 1197 C CD1 LEU 158 . . A 1 -13.179 47.487 60.148 1.00 16.62 ? CD1 LEU 158 A 1 +ATOM 1198 C CD2 LEU 158 . . A 1 -11.417 45.835 60.895 1.00 16.5 ? CD2 LEU 158 A 1 +ATOM 1199 N N HIS 159 . . A 1 -8.738 45.603 56.329 1.00 22.98 ? N HIS 159 A 1 +ATOM 1200 C CA HIS 159 . . A 1 -8.257 45.148 55.040 1.00 30.84 ? CA HIS 159 A 1 +ATOM 1201 C C HIS 159 . . A 1 -9.211 44.578 54.011 1.00 34.01 ? C HIS 159 A 1 +ATOM 1202 O O HIS 159 . . A 1 -9.410 45.223 52.986 1.00 40.62 ? O HIS 159 A 1 +ATOM 1203 C CB HIS 159 . . A 1 -6.949 44.348 55.106 1.00 38.7 ? CB HIS 159 A 1 +ATOM 1204 C CG HIS 159 . . A 1 -6.384 44.161 53.698 1.00 45.22 ? CG HIS 159 A 1 +ATOM 1205 N ND1 HIS 159 . . A 1 -6.542 45.038 52.670 1.00 47.49 ? ND1 HIS 159 A 1 +ATOM 1206 C CD2 HIS 159 . . A 1 -5.646 43.062 53.201 1.00 48.81 ? CD2 HIS 159 A 1 +ATOM 1207 C CE1 HIS 159 . . A 1 -5.920 44.506 51.599 1.00 48.99 ? CE1 HIS 159 A 1 +ATOM 1208 N NE2 HIS 159 . . A 1 -5.375 43.317 51.906 1.00 48.28 ? NE2 HIS 159 A 1 +ATOM 1209 N N GLY 160 . . A 1 -9.753 43.384 54.212 1.00 32.34 ? N GLY 160 A 1 +ATOM 1210 C CA GLY 160 . . A 1 -10.620 42.905 53.139 1.00 30.82 ? CA GLY 160 A 1 +ATOM 1211 C C GLY 160 . . A 1 -11.985 43.554 53.111 1.00 33.28 ? C GLY 160 A 1 +ATOM 1212 O O GLY 160 . . A 1 -12.973 42.851 52.919 1.00 37.69 ? O GLY 160 A 1 +ATOM 1213 N N SER 161 . . A 1 -12.084 44.860 53.310 1.00 32.25 ? N SER 161 A 1 +ATOM 1214 C CA SER 161 . . A 1 -13.387 45.468 53.317 1.00 33.51 ? CA SER 161 A 1 +ATOM 1215 C C SER 161 . . A 1 -13.352 46.684 52.425 1.00 34.9 ? C SER 161 A 1 +ATOM 1216 O O SER 161 . . A 1 -12.417 47.471 52.363 1.00 39.21 ? O SER 161 A 1 +ATOM 1217 C CB SER 161 . . A 1 -13.697 45.914 54.752 1.00 31.18 ? CB SER 161 A 1 +ATOM 1218 O OG SER 161 . . A 1 -15.002 46.512 54.807 1.00 36.26 ? OG SER 161 A 1 +ATOM 1219 N N GLN 162 . . A 1 -14.531 46.811 51.795 1.00 35.8 ? N GLN 162 A 1 +ATOM 1220 C CA GLN 162 . . A 1 -14.720 47.953 50.900 1.00 36.93 ? CA GLN 162 A 1 +ATOM 1221 C C GLN 162 . . A 1 -15.178 49.161 51.716 1.00 34.72 ? C GLN 162 A 1 +ATOM 1222 O O GLN 162 . . A 1 -15.019 50.319 51.367 1.00 36.56 ? O GLN 162 A 1 +ATOM 1223 C CB GLN 162 . . A 1 -15.836 47.628 49.860 1.00 39.31 ? CB GLN 162 A 1 +ATOM 1224 C CG GLN 162 . . A 1 -15.532 46.469 48.834 1.00 41.84 ? CG GLN 162 A 1 +ATOM 1225 N N GLU 163 . . A 1 -15.808 48.818 52.853 1.00 31.51 ? N GLU 163 A 1 +ATOM 1226 C CA GLU 163 . . A 1 -16.312 49.886 53.716 1.00 26.96 ? CA GLU 163 A 1 +ATOM 1227 C C GLU 163 . . A 1 -15.213 50.641 54.439 1.00 23.35 ? C GLU 163 A 1 +ATOM 1228 O O GLU 163 . . A 1 -15.340 51.820 54.704 1.00 26.46 ? O GLU 163 A 1 +ATOM 1229 C CB GLU 163 . . A 1 -17.382 49.341 54.675 1.00 29.38 ? CB GLU 163 A 1 +ATOM 1230 C CG GLU 163 . . A 1 -18.573 48.666 53.964 1.00 23.59 ? CG GLU 163 A 1 +ATOM 1231 C CD GLU 163 . . A 1 -19.228 49.607 52.977 1.00 23.58 ? CD GLU 163 A 1 +ATOM 1232 N N ALA 164 . . A 1 -14.150 49.927 54.793 1.00 16.59 ? N ALA 164 A 1 +ATOM 1233 C CA ALA 164 . . A 1 -13.012 50.549 55.458 1.00 15.06 ? CA ALA 164 A 1 +ATOM 1234 C C ALA 164 . . A 1 -11.768 49.786 54.980 1.00 16.71 ? C ALA 164 A 1 +ATOM 1235 O O ALA 164 . . A 1 -11.191 48.965 55.698 1.00 20.04 ? O ALA 164 A 1 +ATOM 1236 C CB ALA 164 . . A 1 -13.102 50.473 56.993 1.00 9.11 ? CB ALA 164 A 1 +ATOM 1237 N N PRO 165 . . A 1 -11.363 50.053 53.733 1.00 14.97 ? N PRO 165 A 1 +ATOM 1238 C CA PRO 165 . . A 1 -10.059 49.592 53.279 1.00 13.44 ? CA PRO 165 A 1 +ATOM 1239 C C PRO 165 . . A 1 -9.125 50.605 53.898 1.00 16.94 ? C PRO 165 A 1 +ATOM 1240 O O PRO 165 . . A 1 -9.521 51.684 54.341 1.00 23.84 ? O PRO 165 A 1 +ATOM 1241 C CB PRO 165 . . A 1 -10.132 49.788 51.767 1.00 14.41 ? CB PRO 165 A 1 +ATOM 1242 C CG PRO 165 . . A 1 -11.148 50.929 51.544 1.00 13.25 ? CG PRO 165 A 1 +ATOM 1243 C CD PRO 165 . . A 1 -12.055 50.921 52.779 1.00 11.35 ? CD PRO 165 A 1 +ATOM 1244 N N GLY 166 . . A 1 -7.847 50.290 53.930 1.00 14.46 ? N GLY 166 A 1 +ATOM 1245 C CA GLY 166 . . A 1 -7.054 51.348 54.567 1.00 15.06 ? CA GLY 166 A 1 +ATOM 1246 C C GLY 166 . . A 1 -6.750 52.485 53.617 1.00 10.6 ? C GLY 166 A 1 +ATOM 1247 O O GLY 166 . . A 1 -7.401 52.732 52.616 1.00 14.05 ? O GLY 166 A 1 +ATOM 1248 N N ASN 167 . . A 1 -5.690 53.192 53.974 1.00 6.94 ? N ASN 167 A 1 +ATOM 1249 C CA ASN 167 . . A 1 -5.128 54.278 53.193 1.00 3.98 ? CA ASN 167 A 1 +ATOM 1250 C C ASN 167 . . A 1 -6.064 55.306 52.602 1.00 5.66 ? C ASN 167 A 1 +ATOM 1251 O O ASN 167 . . A 1 -5.674 56.072 51.728 1.00 7.4 ? O ASN 167 A 1 +ATOM 1252 C CB ASN 167 . . A 1 -4.268 53.663 52.087 1.00 2 ? CB ASN 167 A 1 +ATOM 1253 C CG ASN 167 . . A 1 -3.276 52.695 52.707 1.00 8.15 ? CG ASN 167 A 1 +ATOM 1254 O OD1 ASN 167 . . A 1 -2.762 52.947 53.782 1.00 16.28 ? OD1 ASN 167 A 1 +ATOM 1255 N ND2 ASN 167 . . A 1 -3.023 51.567 52.071 1.00 7.46 ? ND2 ASN 167 A 1 +ATOM 1256 N N VAL 168 . . A 1 -7.279 55.390 53.110 1.00 6.08 ? N VAL 168 A 1 +ATOM 1257 C CA VAL 168 . . A 1 -8.209 56.344 52.551 1.00 8.29 ? CA VAL 168 A 1 +ATOM 1258 C C VAL 168 . . A 1 -7.717 57.784 52.574 1.00 10.31 ? C VAL 168 A 1 +ATOM 1259 O O VAL 168 . . A 1 -7.963 58.584 51.681 1.00 17.23 ? O VAL 168 A 1 +ATOM 1260 C CB VAL 168 . . A 1 -9.541 56.083 53.259 1.00 9.91 ? CB VAL 168 A 1 +ATOM 1261 C CG1 VAL 168 . . A 1 -10.541 57.207 53.160 1.00 7.1 ? CG1 VAL 168 A 1 +ATOM 1262 C CG2 VAL 168 . . A 1 -10.166 54.775 52.740 1.00 11.93 ? CG2 VAL 168 A 1 +ATOM 1263 N N GLY 169 . . A 1 -6.979 58.137 53.601 1.00 14.57 ? N GLY 169 A 1 +ATOM 1264 C CA GLY 169 . . A 1 -6.485 59.514 53.652 1.00 13.64 ? CA GLY 169 A 1 +ATOM 1265 C C GLY 169 . . A 1 -5.486 59.788 52.558 1.00 11.8 ? C GLY 169 A 1 +ATOM 1266 O O GLY 169 . . A 1 -5.331 60.897 52.058 1.00 12.92 ? O GLY 169 A 1 +ATOM 1267 N N LEU 170 . . A 1 -4.818 58.707 52.181 1.00 8 ? N LEU 170 A 1 +ATOM 1268 C CA LEU 170 . . A 1 -3.813 58.722 51.151 1.00 8.15 ? CA LEU 170 A 1 +ATOM 1269 C C LEU 170 . . A 1 -4.537 58.945 49.820 1.00 10.89 ? C LEU 170 A 1 +ATOM 1270 O O LEU 170 . . A 1 -4.164 59.742 48.956 1.00 10.83 ? O LEU 170 A 1 +ATOM 1271 C CB LEU 170 . . A 1 -3.015 57.415 51.312 1.00 5.68 ? CB LEU 170 A 1 +ATOM 1272 C CG LEU 170 . . A 1 -1.491 57.557 51.374 1.00 3.76 ? CG LEU 170 A 1 +ATOM 1273 C CD1 LEU 170 . . A 1 -0.946 58.687 52.256 1.00 4.84 ? CD1 LEU 170 A 1 +ATOM 1274 C CD2 LEU 170 . . A 1 -0.888 56.218 51.803 1.00 3.4 ? CD2 LEU 170 A 1 +ATOM 1275 N N LEU 171 . . A 1 -5.679 58.255 49.700 1.00 12.59 ? N LEU 171 A 1 +ATOM 1276 C CA LEU 171 . . A 1 -6.450 58.469 48.466 1.00 13.94 ? CA LEU 171 A 1 +ATOM 1277 C C LEU 171 . . A 1 -6.950 59.916 48.384 1.00 16.31 ? C LEU 171 A 1 +ATOM 1278 O O LEU 171 . . A 1 -6.981 60.529 47.327 1.00 22.51 ? O LEU 171 A 1 +ATOM 1279 C CB LEU 171 . . A 1 -7.633 57.509 48.325 1.00 6.31 ? CB LEU 171 A 1 +ATOM 1280 C CG LEU 171 . . A 1 -7.182 56.046 48.320 1.00 4.35 ? CG LEU 171 A 1 +ATOM 1281 C CD1 LEU 171 . . A 1 -8.382 55.107 48.295 1.00 10.78 ? CD1 LEU 171 A 1 +ATOM 1282 C CD2 LEU 171 . . A 1 -6.277 55.739 47.141 1.00 7.49 ? CD2 LEU 171 A 1 +ATOM 1283 N N ASP 172 . . A 1 -7.333 60.493 49.524 1.00 15.07 ? N ASP 172 A 1 +ATOM 1284 C CA ASP 172 . . A 1 -7.785 61.875 49.442 1.00 14.35 ? CA ASP 172 A 1 +ATOM 1285 C C ASP 172 . . A 1 -6.727 62.773 48.866 1.00 15.63 ? C ASP 172 A 1 +ATOM 1286 O O ASP 172 . . A 1 -7.038 63.722 48.161 1.00 18.63 ? O ASP 172 A 1 +ATOM 1287 C CB ASP 172 . . A 1 -8.118 62.497 50.799 1.00 18.99 ? CB ASP 172 A 1 +ATOM 1288 C CG ASP 172 . . A 1 -9.113 61.733 51.635 1.00 24.06 ? CG ASP 172 A 1 +ATOM 1289 O OD1 ASP 172 . . A 1 -9.846 60.915 51.094 1.00 26.06 ? OD1 ASP 172 A 1 +ATOM 1290 O OD2 ASP 172 . . A 1 -9.144 61.963 52.839 1.00 30.47 ? OD2 ASP 172 A 1 +ATOM 1291 N N GLN 173 . . A 1 -5.463 62.456 49.191 1.00 15.38 ? N GLN 173 A 1 +ATOM 1292 C CA GLN 173 . . A 1 -4.376 63.289 48.687 1.00 13.29 ? CA GLN 173 A 1 +ATOM 1293 C C GLN 173 . . A 1 -4.322 63.187 47.198 1.00 13.91 ? C GLN 173 A 1 +ATOM 1294 O O GLN 173 . . A 1 -4.220 64.154 46.457 1.00 14.44 ? O GLN 173 A 1 +ATOM 1295 C CB GLN 173 . . A 1 -3.008 62.871 49.249 1.00 10.88 ? CB GLN 173 A 1 +ATOM 1296 C CG GLN 173 . . A 1 -2.957 62.897 50.779 1.00 12.69 ? CG GLN 173 A 1 +ATOM 1297 C CD GLN 173 . . A 1 -1.554 62.665 51.307 1.00 12.03 ? CD GLN 173 A 1 +ATOM 1298 O OE1 GLN 173 . . A 1 -0.559 62.832 50.633 1.00 8.8 ? OE1 GLN 173 A 1 +ATOM 1299 N NE2 GLN 173 . . A 1 -1.480 62.303 52.567 1.00 17.3 ? NE2 GLN 173 A 1 +ATOM 1300 N N ARG 174 . . A 1 -4.424 61.930 46.775 1.00 14.81 ? N ARG 174 A 1 +ATOM 1301 C CA ARG 174 . . A 1 -4.386 61.661 45.346 1.00 13.15 ? CA ARG 174 A 1 +ATOM 1302 C C ARG 174 . . A 1 -5.470 62.412 44.626 1.00 11.65 ? C ARG 174 A 1 +ATOM 1303 O O ARG 174 . . A 1 -5.216 63.072 43.635 1.00 14.76 ? O ARG 174 A 1 +ATOM 1304 C CB ARG 174 . . A 1 -4.520 60.167 45.099 1.00 10.52 ? CB ARG 174 A 1 +ATOM 1305 C CG ARG 174 . . A 1 -4.373 59.751 43.646 1.00 7.57 ? CG ARG 174 A 1 +ATOM 1306 C CD ARG 174 . . A 1 -4.632 58.244 43.505 1.00 15.22 ? CD ARG 174 A 1 +ATOM 1307 N NE ARG 174 . . A 1 -3.503 57.506 44.014 1.00 12.35 ? NE ARG 174 A 1 +ATOM 1308 C CZ ARG 174 . . A 1 -3.431 56.166 44.057 1.00 16.56 ? CZ ARG 174 A 1 +ATOM 1309 N NH1 ARG 174 . . A 1 -4.500 55.388 43.885 1.00 13.82 ? NH1 ARG 174 A 1 +ATOM 1310 N NH2 ARG 174 . . A 1 -2.258 55.603 44.296 1.00 15.94 ? NH2 ARG 174 A 1 +ATOM 1311 N N MET 175 . . A 1 -6.692 62.313 45.140 1.00 9.23 ? N MET 175 A 1 +ATOM 1312 C CA MET 175 . . A 1 -7.790 63.018 44.507 1.00 9.52 ? CA MET 175 A 1 +ATOM 1313 C C MET 175 . . A 1 -7.516 64.506 44.372 1.00 11.08 ? C MET 175 A 1 +ATOM 1314 O O MET 175 . . A 1 -7.845 65.149 43.384 1.00 14.83 ? O MET 175 A 1 +ATOM 1315 C CB MET 175 . . A 1 -9.079 62.809 45.275 1.00 12.36 ? CB MET 175 A 1 +ATOM 1316 C CG MET 175 . . A 1 -10.280 63.432 44.559 1.00 17.99 ? CG MET 175 A 1 +ATOM 1317 S SD MET 175 . . A 1 -11.671 62.302 44.755 1.00 26.77 ? SD MET 175 A 1 +ATOM 1318 C CE MET 175 . . A 1 -11.147 61.180 43.418 1.00 23.6 ? CE MET 175 A 1 +ATOM 1319 N N ALA 176 . . A 1 -6.883 65.076 45.383 1.00 13.8 ? N ALA 176 A 1 +ATOM 1320 C CA ALA 176 . . A 1 -6.607 66.488 45.224 1.00 12.57 ? CA ALA 176 A 1 +ATOM 1321 C C ALA 176 . . A 1 -5.559 66.667 44.156 1.00 11.01 ? C ALA 176 A 1 +ATOM 1322 O O ALA 176 . . A 1 -5.618 67.616 43.404 1.00 14.19 ? O ALA 176 A 1 +ATOM 1323 C CB ALA 176 . . A 1 -6.152 67.113 46.519 1.00 15.81 ? CB ALA 176 A 1 +ATOM 1324 N N LEU 177 . . A 1 -4.603 65.740 44.080 1.00 12.4 ? N LEU 177 A 1 +ATOM 1325 C CA LEU 177 . . A 1 -3.565 65.816 43.039 1.00 15.13 ? CA LEU 177 A 1 +ATOM 1326 C C LEU 177 . . A 1 -4.202 65.733 41.646 1.00 17.24 ? C LEU 177 A 1 +ATOM 1327 O O LEU 177 . . A 1 -3.788 66.347 40.668 1.00 19.47 ? O LEU 177 A 1 +ATOM 1328 C CB LEU 177 . . A 1 -2.537 64.662 43.180 1.00 13.77 ? CB LEU 177 A 1 +ATOM 1329 C CG LEU 177 . . A 1 -1.163 64.996 43.810 1.00 9.51 ? CG LEU 177 A 1 +ATOM 1330 C CD1 LEU 177 . . A 1 -1.056 66.379 44.458 1.00 2.74 ? CD1 LEU 177 A 1 +ATOM 1331 C CD2 LEU 177 . . A 1 -0.756 63.887 44.783 1.00 8.15 ? CD2 LEU 177 A 1 +ATOM 1332 N N GLN 178 . . A 1 -5.261 64.929 41.573 1.00 17.82 ? N GLN 178 A 1 +ATOM 1333 C CA GLN 178 . . A 1 -5.959 64.804 40.312 1.00 14.51 ? CA GLN 178 A 1 +ATOM 1334 C C GLN 178 . . A 1 -6.584 66.124 39.954 1.00 13.43 ? C GLN 178 A 1 +ATOM 1335 O O GLN 178 . . A 1 -6.358 66.654 38.885 1.00 21.47 ? O GLN 178 A 1 +ATOM 1336 C CB GLN 178 . . A 1 -7.046 63.733 40.379 1.00 10.61 ? CB GLN 178 A 1 +ATOM 1337 C CG GLN 178 . . A 1 -7.709 63.438 39.027 1.00 18.8 ? CG GLN 178 A 1 +ATOM 1338 C CD GLN 178 . . A 1 -6.842 62.486 38.228 1.00 21.16 ? CD GLN 178 A 1 +ATOM 1339 O OE1 GLN 178 . . A 1 -6.622 61.349 38.610 1.00 25.52 ? OE1 GLN 178 A 1 +ATOM 1340 N NE2 GLN 178 . . A 1 -6.331 62.966 37.106 1.00 22.73 ? NE2 GLN 178 A 1 +ATOM 1341 N N TRP 179 . . A 1 -7.383 66.675 40.850 1.00 10.74 ? N TRP 179 A 1 +ATOM 1342 C CA TRP 179 . . A 1 -8.034 67.945 40.549 1.00 10.13 ? CA TRP 179 A 1 +ATOM 1343 C C TRP 179 . . A 1 -7.021 68.996 40.155 1.00 12 ? C TRP 179 A 1 +ATOM 1344 O O TRP 179 . . A 1 -7.252 69.795 39.264 1.00 19.76 ? O TRP 179 A 1 +ATOM 1345 C CB TRP 179 . . A 1 -8.838 68.399 41.776 1.00 10.49 ? CB TRP 179 A 1 +ATOM 1346 C CG TRP 179 . . A 1 -9.853 69.491 41.510 1.00 6.08 ? CG TRP 179 A 1 +ATOM 1347 C CD1 TRP 179 . . A 1 -11.250 69.295 41.381 1.00 9.25 ? CD1 TRP 179 A 1 +ATOM 1348 C CD2 TRP 179 . . A 1 -9.633 70.880 41.419 1.00 4.45 ? CD2 TRP 179 A 1 +ATOM 1349 N NE1 TRP 179 . . A 1 -11.899 70.487 41.223 1.00 8.77 ? NE1 TRP 179 A 1 +ATOM 1350 C CE2 TRP 179 . . A 1 -10.977 71.493 41.236 1.00 2.68 ? CE2 TRP 179 A 1 +ATOM 1351 C CE3 TRP 179 . . A 1 -8.500 71.697 41.465 1.00 2 ? CE3 TRP 179 A 1 +ATOM 1352 C CZ2 TRP 179 . . A 1 -11.100 72.872 41.112 1.00 2.18 ? CZ2 TRP 179 A 1 +ATOM 1353 C CZ3 TRP 179 . . A 1 -8.663 73.088 41.336 1.00 2.57 ? CZ3 TRP 179 A 1 +ATOM 1354 C CH2 TRP 179 . . A 1 -9.937 73.663 41.165 1.00 2 ? CH2 TRP 179 A 1 +ATOM 1355 N N VAL 180 . . A 1 -5.873 69.006 40.810 1.00 11.87 ? N VAL 180 A 1 +ATOM 1356 C CA VAL 180 . . A 1 -4.876 70.004 40.443 1.00 11.64 ? CA VAL 180 A 1 +ATOM 1357 C C VAL 180 . . A 1 -4.423 69.780 39.005 1.00 14.32 ? C VAL 180 A 1 +ATOM 1358 O O VAL 180 . . A 1 -4.296 70.711 38.218 1.00 14.72 ? O VAL 180 A 1 +ATOM 1359 C CB VAL 180 . . A 1 -3.729 69.940 41.459 1.00 5.95 ? CB VAL 180 A 1 +ATOM 1360 C CG1 VAL 180 . . A 1 -2.492 70.774 41.089 1.00 7.08 ? CG1 VAL 180 A 1 +ATOM 1361 C CG2 VAL 180 . . A 1 -4.286 70.381 42.817 1.00 9.69 ? CG2 VAL 180 A 1 +ATOM 1362 N N HIS 181 . . A 1 -4.209 68.510 38.675 1.00 15.12 ? N HIS 181 A 1 +ATOM 1363 C CA HIS 181 . . A 1 -3.773 68.124 37.336 1.00 17.44 ? CA HIS 181 A 1 +ATOM 1364 C C HIS 181 . . A 1 -4.755 68.548 36.260 1.00 17.59 ? C HIS 181 A 1 +ATOM 1365 O O HIS 181 . . A 1 -4.426 69.055 35.200 1.00 21.94 ? O HIS 181 A 1 +ATOM 1366 C CB HIS 181 . . A 1 -3.624 66.595 37.336 1.00 19.59 ? CB HIS 181 A 1 +ATOM 1367 C CG HIS 181 . . A 1 -3.014 66.035 36.074 1.00 25.78 ? CG HIS 181 A 1 +ATOM 1368 N ND1 HIS 181 . . A 1 -3.709 65.319 35.169 1.00 24.3 ? ND1 HIS 181 A 1 +ATOM 1369 C CD2 HIS 181 . . A 1 -1.650 66.070 35.680 1.00 30.09 ? CD2 HIS 181 A 1 +ATOM 1370 C CE1 HIS 181 . . A 1 -2.819 64.901 34.257 1.00 31.34 ? CE1 HIS 181 A 1 +ATOM 1371 N NE2 HIS 181 . . A 1 -1.573 65.342 34.544 1.00 35.14 ? NE2 HIS 181 A 1 +ATOM 1372 N N ASP 182 . . A 1 -6.016 68.345 36.586 1.00 16.68 ? N ASP 182 A 1 +ATOM 1373 C CA ASP 182 . . A 1 -7.076 68.676 35.656 1.00 17.41 ? CA ASP 182 A 1 +ATOM 1374 C C ASP 182 . . A 1 -7.573 70.110 35.729 1.00 19.32 ? C ASP 182 A 1 +ATOM 1375 O O ASP 182 . . A 1 -8.522 70.425 35.029 1.00 25.05 ? O ASP 182 A 1 +ATOM 1376 C CB ASP 182 . . A 1 -8.311 67.791 35.923 1.00 16.95 ? CB ASP 182 A 1 +ATOM 1377 C CG ASP 182 . . A 1 -8.047 66.296 35.756 1.00 24 ? CG ASP 182 A 1 +ATOM 1378 O OD1 ASP 182 . . A 1 -7.010 65.927 35.196 1.00 26.34 ? OD1 ASP 182 A 1 +ATOM 1379 O OD2 ASP 182 . . A 1 -8.894 65.503 36.173 1.00 23.74 ? OD2 ASP 182 A 1 +ATOM 1380 N N ASN 183 . . A 1 -7.035 70.994 36.574 1.00 14.46 ? N ASN 183 A 1 +ATOM 1381 C CA ASN 183 . . A 1 -7.651 72.321 36.518 1.00 9.77 ? CA ASN 183 A 1 +ATOM 1382 C C ASN 183 . . A 1 -6.696 73.420 36.867 1.00 14.26 ? C ASN 183 A 1 +ATOM 1383 O O ASN 183 . . A 1 -7.050 74.589 36.787 1.00 14.61 ? O ASN 183 A 1 +ATOM 1384 C CB ASN 183 . . A 1 -8.816 72.502 37.490 1.00 7.86 ? CB ASN 183 A 1 +ATOM 1385 C CG ASN 183 . . A 1 -9.939 71.512 37.343 1.00 13.76 ? CG ASN 183 A 1 +ATOM 1386 O OD1 ASN 183 . . A 1 -11.011 71.777 36.814 1.00 20.88 ? OD1 ASN 183 A 1 +ATOM 1387 N ND2 ASN 183 . . A 1 -9.696 70.337 37.881 1.00 19.16 ? ND2 ASN 183 A 1 +ATOM 1388 N N ILE 184 . . A 1 -5.451 73.094 37.220 1.00 15.04 ? N ILE 184 A 1 +ATOM 1389 C CA ILE 184 . . A 1 -4.580 74.188 37.591 1.00 15.27 ? CA ILE 184 A 1 +ATOM 1390 C C ILE 184 . . A 1 -4.324 75.187 36.459 1.00 20.74 ? C ILE 184 A 1 +ATOM 1391 O O ILE 184 . . A 1 -4.015 76.361 36.670 1.00 24.3 ? O ILE 184 A 1 +ATOM 1392 C CB ILE 184 . . A 1 -3.371 73.644 38.359 1.00 12.84 ? CB ILE 184 A 1 +ATOM 1393 C CG1 ILE 184 . . A 1 -2.721 74.747 39.222 1.00 14.79 ? CG1 ILE 184 A 1 +ATOM 1394 C CG2 ILE 184 . . A 1 -2.389 72.882 37.477 1.00 10.86 ? CG2 ILE 184 A 1 +ATOM 1395 C CD1 ILE 184 . . A 1 -3.634 75.214 40.373 1.00 14.42 ? CD1 ILE 184 A 1 +ATOM 1396 N N GLN 185 . . A 1 -4.498 74.683 35.222 1.00 21.09 ? N GLN 185 A 1 +ATOM 1397 C CA GLN 185 . . A 1 -4.327 75.498 34.020 1.00 18.39 ? CA GLN 185 A 1 +ATOM 1398 C C GLN 185 . . A 1 -5.223 76.718 34.082 1.00 18.63 ? C GLN 185 A 1 +ATOM 1399 O O GLN 185 . . A 1 -4.812 77.806 33.720 1.00 20.92 ? O GLN 185 A 1 +ATOM 1400 C CB GLN 185 . . A 1 -4.637 74.678 32.746 1.00 15.12 ? CB GLN 185 A 1 +ATOM 1401 C CG GLN 185 . . A 1 -5.989 73.945 32.830 1.00 19.6 ? CG GLN 185 A 1 +ATOM 1402 C CD GLN 185 . . A 1 -6.305 73.169 31.586 1.00 19.46 ? CD GLN 185 A 1 +ATOM 1403 O OE1 GLN 185 . . A 1 -6.282 71.952 31.557 1.00 24.41 ? OE1 GLN 185 A 1 +ATOM 1404 N NE2 GLN 185 . . A 1 -6.625 73.910 30.555 1.00 19.15 ? NE2 GLN 185 A 1 +ATOM 1405 N N PHE 186 . . A 1 -6.446 76.544 34.602 1.00 13.62 ? N PHE 186 A 1 +ATOM 1406 C CA PHE 186 . . A 1 -7.335 77.705 34.653 1.00 15.96 ? CA PHE 186 A 1 +ATOM 1407 C C PHE 186 . . A 1 -6.889 78.759 35.633 1.00 16.69 ? C PHE 186 A 1 +ATOM 1408 O O PHE 186 . . A 1 -7.435 79.855 35.684 1.00 18.51 ? O PHE 186 A 1 +ATOM 1409 C CB PHE 186 . . A 1 -8.799 77.332 34.931 1.00 18.39 ? CB PHE 186 A 1 +ATOM 1410 C CG PHE 186 . . A 1 -9.188 76.212 34.006 1.00 23.7 ? CG PHE 186 A 1 +ATOM 1411 C CD1 PHE 186 . . A 1 -9.287 76.437 32.624 1.00 23.43 ? CD1 PHE 186 A 1 +ATOM 1412 C CD2 PHE 186 . . A 1 -9.383 74.923 34.514 1.00 26.04 ? CD2 PHE 186 A 1 +ATOM 1413 C CE1 PHE 186 . . A 1 -9.560 75.372 31.761 1.00 22.42 ? CE1 PHE 186 A 1 +ATOM 1414 C CE2 PHE 186 . . A 1 -9.654 73.861 33.652 1.00 23.14 ? CE2 PHE 186 A 1 +ATOM 1415 C CZ PHE 186 . . A 1 -9.738 74.083 32.274 1.00 23.73 ? CZ PHE 186 A 1 +ATOM 1416 N N PHE 187 . . A 1 -5.879 78.411 36.429 1.00 15.55 ? N PHE 187 A 1 +ATOM 1417 C CA PHE 187 . . A 1 -5.357 79.346 37.407 1.00 14.1 ? CA PHE 187 A 1 +ATOM 1418 C C PHE 187 . . A 1 -3.978 79.810 36.991 1.00 13.32 ? C PHE 187 A 1 +ATOM 1419 O O PHE 187 . . A 1 -3.339 80.559 37.714 1.00 19.48 ? O PHE 187 A 1 +ATOM 1420 C CB PHE 187 . . A 1 -5.288 78.723 38.811 1.00 9.5 ? CB PHE 187 A 1 +ATOM 1421 C CG PHE 187 . . A 1 -6.641 78.300 39.334 1.00 4.66 ? CG PHE 187 A 1 +ATOM 1422 C CD1 PHE 187 . . A 1 -7.440 79.189 40.061 1.00 6.69 ? CD1 PHE 187 A 1 +ATOM 1423 C CD2 PHE 187 . . A 1 -7.114 76.999 39.104 1.00 6.8 ? CD2 PHE 187 A 1 +ATOM 1424 C CE1 PHE 187 . . A 1 -8.689 78.783 40.557 1.00 6.63 ? CE1 PHE 187 A 1 +ATOM 1425 C CE2 PHE 187 . . A 1 -8.361 76.586 39.595 1.00 5.03 ? CE2 PHE 187 A 1 +ATOM 1426 C CZ PHE 187 . . A 1 -9.154 77.480 40.325 1.00 3.61 ? CZ PHE 187 A 1 +ATOM 1427 N N GLY 188 . . A 1 -3.499 79.342 35.845 1.00 8.19 ? N GLY 188 A 1 +ATOM 1428 C CA GLY 188 . . A 1 -2.186 79.785 35.402 1.00 4.82 ? CA GLY 188 A 1 +ATOM 1429 C C GLY 188 . . A 1 -1.104 78.791 35.711 1.00 8.15 ? C GLY 188 A 1 +ATOM 1430 O O GLY 188 . . A 1 0.080 79.026 35.509 1.00 9.97 ? O GLY 188 A 1 +ATOM 1431 N N GLY 189 . . A 1 -1.481 77.614 36.203 1.00 8.79 ? N GLY 189 A 1 +ATOM 1432 C CA GLY 189 . . A 1 -0.411 76.673 36.528 1.00 13.76 ? CA GLY 189 A 1 +ATOM 1433 C C GLY 189 . . A 1 -0.188 75.661 35.446 1.00 16.62 ? C GLY 189 A 1 +ATOM 1434 O O GLY 189 . . A 1 -1.086 75.289 34.711 1.00 22.62 ? O GLY 189 A 1 +ATOM 1435 N N ASP 190 . . A 1 1.039 75.177 35.352 1.00 15.07 ? N ASP 190 A 1 +ATOM 1436 C CA ASP 190 . . A 1 1.391 74.193 34.349 1.00 13.98 ? CA ASP 190 A 1 +ATOM 1437 C C ASP 190 . . A 1 1.259 72.804 34.955 1.00 12.79 ? C ASP 190 A 1 +ATOM 1438 O O ASP 190 . . A 1 2.108 72.434 35.749 1.00 11.02 ? O ASP 190 A 1 +ATOM 1439 C CB ASP 190 . . A 1 2.866 74.426 33.998 1.00 15.65 ? CB ASP 190 A 1 +ATOM 1440 C CG ASP 190 . . A 1 3.469 73.435 33.006 1.00 23.99 ? CG ASP 190 A 1 +ATOM 1441 O OD1 ASP 190 . . A 1 2.841 72.443 32.626 1.00 21.26 ? OD1 ASP 190 A 1 +ATOM 1442 O OD2 ASP 190 . . A 1 4.602 73.669 32.608 1.00 34.62 ? OD2 ASP 190 A 1 +ATOM 1443 N N PRO 191 . . A 1 0.259 71.998 34.566 1.00 12.68 ? N PRO 191 A 1 +ATOM 1444 C CA PRO 191 . . A 1 0.122 70.660 35.150 1.00 16.22 ? CA PRO 191 A 1 +ATOM 1445 C C PRO 191 . . A 1 1.292 69.707 34.980 1.00 19 ? C PRO 191 A 1 +ATOM 1446 O O PRO 191 . . A 1 1.365 68.673 35.628 1.00 22.85 ? O PRO 191 A 1 +ATOM 1447 C CB PRO 191 . . A 1 -1.149 70.073 34.529 1.00 15.2 ? CB PRO 191 A 1 +ATOM 1448 C CG PRO 191 . . A 1 -1.519 71.005 33.364 1.00 13.76 ? CG PRO 191 A 1 +ATOM 1449 C CD PRO 191 . . A 1 -0.786 72.335 33.612 1.00 11.62 ? CD PRO 191 A 1 +ATOM 1450 N N LYS 192 . . A 1 2.204 70.064 34.084 1.00 21.61 ? N LYS 192 A 1 +ATOM 1451 C CA LYS 192 . . A 1 3.363 69.217 33.860 1.00 28.35 ? CA LYS 192 A 1 +ATOM 1452 C C LYS 192 . . A 1 4.542 69.661 34.684 1.00 27.64 ? C LYS 192 A 1 +ATOM 1453 O O LYS 192 . . A 1 5.659 69.192 34.486 1.00 23.51 ? O LYS 192 A 1 +ATOM 1454 C CB LYS 192 . . A 1 3.752 69.154 32.373 1.00 35.92 ? CB LYS 192 A 1 +ATOM 1455 C CG LYS 192 . . A 1 2.560 68.817 31.450 1.00 47.01 ? CG LYS 192 A 1 +ATOM 1456 C CD LYS 192 . . A 1 1.747 67.549 31.847 1.00 52.79 ? CD LYS 192 A 1 +ATOM 1457 C CE LYS 192 . . A 1 0.462 67.361 31.003 1.00 57.95 ? CE LYS 192 A 1 +ATOM 1458 N NZ LYS 192 . . A 1 -0.422 66.361 31.583 1.00 62 ? NZ LYS 192 A 1 +ATOM 1459 N N THR 193 . . A 1 4.303 70.605 35.598 1.00 29.06 ? N THR 193 A 1 +ATOM 1460 C CA THR 193 . . A 1 5.398 71.065 36.445 1.00 31.46 ? CA THR 193 A 1 +ATOM 1461 C C THR 193 . . A 1 4.927 71.348 37.860 1.00 28.81 ? C THR 193 A 1 +ATOM 1462 O O THR 193 . . A 1 5.159 72.434 38.382 1.00 30.32 ? O THR 193 A 1 +ATOM 1463 C CB THR 193 . . A 1 6.157 72.253 35.831 1.00 31.79 ? CB THR 193 A 1 +ATOM 1464 O OG1 THR 193 . . A 1 6.252 72.054 34.417 1.00 35.69 ? OG1 THR 193 A 1 +ATOM 1465 C CG2 THR 193 . . A 1 7.596 72.396 36.364 1.00 33.07 ? CG2 THR 193 A 1 +ATOM 1466 N N VAL 194 . . A 1 4.224 70.353 38.450 1.00 27.55 ? N VAL 194 A 1 +ATOM 1467 C CA VAL 194 . . A 1 3.775 70.498 39.821 1.00 23.61 ? CA VAL 194 A 1 +ATOM 1468 C C VAL 194 . . A 1 4.735 69.675 40.659 1.00 23.2 ? C VAL 194 A 1 +ATOM 1469 O O VAL 194 . . A 1 5.070 68.553 40.286 1.00 21.51 ? O VAL 194 A 1 +ATOM 1470 C CB VAL 194 . . A 1 2.301 70.058 40.037 1.00 18.62 ? CB VAL 194 A 1 +ATOM 1471 C CG1 VAL 194 . . A 1 1.364 70.532 38.913 1.00 23.81 ? CG1 VAL 194 A 1 +ATOM 1472 C CG2 VAL 194 . . A 1 2.127 68.549 40.147 1.00 18.56 ? CG2 VAL 194 A 1 +ATOM 1473 N N THR 195 . . A 1 5.167 70.242 41.773 1.00 24.74 ? N THR 195 A 1 +ATOM 1474 C CA THR 195 . . A 1 6.053 69.596 42.723 1.00 24.42 ? CA THR 195 A 1 +ATOM 1475 C C THR 195 . . A 1 5.240 69.404 44.033 1.00 21.5 ? C THR 195 A 1 +ATOM 1476 O O THR 195 . . A 1 4.592 70.330 44.517 1.00 23.06 ? O THR 195 A 1 +ATOM 1477 C CB THR 195 . . A 1 7.246 70.554 42.929 1.00 25.9 ? CB THR 195 A 1 +ATOM 1478 O OG1 THR 195 . . A 1 7.944 70.758 41.698 1.00 26.7 ? OG1 THR 195 A 1 +ATOM 1479 C CG2 THR 195 . . A 1 8.274 70.117 43.978 1.00 23.91 ? CG2 THR 195 A 1 +ATOM 1480 N N ILE 196 . . A 1 5.234 68.191 44.586 1.00 17.85 ? N ILE 196 A 1 +ATOM 1481 C CA ILE 196 . . A 1 4.520 68.008 45.837 1.00 13.44 ? CA ILE 196 A 1 +ATOM 1482 C C ILE 196 . . A 1 5.592 68.167 46.934 1.00 17.35 ? C ILE 196 A 1 +ATOM 1483 O O ILE 196 . . A 1 6.678 67.597 46.804 1.00 19.81 ? O ILE 196 A 1 +ATOM 1484 C CB ILE 196 . . A 1 3.856 66.618 45.882 1.00 4.26 ? CB ILE 196 A 1 +ATOM 1485 C CG1 ILE 196 . . A 1 4.785 65.463 45.468 1.00 2 ? CG1 ILE 196 A 1 +ATOM 1486 C CG2 ILE 196 . . A 1 2.594 66.612 45.039 1.00 3.52 ? CG2 ILE 196 A 1 +ATOM 1487 C CD1 ILE 196 . . A 1 4.190 64.075 45.727 1.00 2 ? CD1 ILE 196 A 1 +ATOM 1488 N N PHE 197 . . A 1 5.316 68.960 47.982 1.00 16.41 ? N PHE 197 A 1 +ATOM 1489 C CA PHE 197 . . A 1 6.277 69.120 49.077 1.00 15.7 ? CA PHE 197 A 1 +ATOM 1490 C C PHE 197 . . A 1 5.505 68.817 50.347 1.00 16.69 ? C PHE 197 A 1 +ATOM 1491 O O PHE 197 . . A 1 4.294 68.990 50.354 1.00 20.3 ? O PHE 197 A 1 +ATOM 1492 C CB PHE 197 . . A 1 7.093 70.444 49.051 1.00 14.78 ? CB PHE 197 A 1 +ATOM 1493 C CG PHE 197 . . A 1 6.459 71.814 49.265 1.00 11.75 ? CG PHE 197 A 1 +ATOM 1494 C CD1 PHE 197 . . A 1 5.179 72.144 48.782 1.00 8.99 ? CD1 PHE 197 A 1 +ATOM 1495 C CD2 PHE 197 . . A 1 7.204 72.808 49.944 1.00 6.26 ? CD2 PHE 197 A 1 +ATOM 1496 C CE1 PHE 197 . . A 1 4.653 73.437 48.985 1.00 9.05 ? CE1 PHE 197 A 1 +ATOM 1497 C CE2 PHE 197 . . A 1 6.683 74.095 50.142 1.00 5.01 ? CE2 PHE 197 A 1 +ATOM 1498 C CZ PHE 197 . . A 1 5.400 74.412 49.668 1.00 4.37 ? CZ PHE 197 A 1 +ATOM 1499 N N GLY 198 . . A 1 6.169 68.335 51.407 1.00 17.51 ? N GLY 198 A 1 +ATOM 1500 C CA GLY 198 . . A 1 5.440 68.026 52.652 1.00 14.35 ? CA GLY 198 A 1 +ATOM 1501 C C GLY 198 . . A 1 6.441 67.752 53.757 1.00 12.67 ? C GLY 198 A 1 +ATOM 1502 O O GLY 198 . . A 1 7.595 67.431 53.481 1.00 7.51 ? O GLY 198 A 1 +ATOM 1503 N N GLU 199 . . A 1 6.002 67.858 55.024 1.00 13.87 ? N GLU 199 A 1 +ATOM 1504 C CA GLU 199 . . A 1 6.901 67.638 56.174 1.00 11.81 ? CA GLU 199 A 1 +ATOM 1505 C C GLU 199 . . A 1 6.361 66.609 57.156 1.00 12.2 ? C GLU 199 A 1 +ATOM 1506 O O GLU 199 . . A 1 5.153 66.503 57.326 1.00 13.4 ? O GLU 199 A 1 +ATOM 1507 C CB GLU 199 . . A 1 7.090 68.986 56.878 1.00 11 ? CB GLU 199 A 1 +ATOM 1508 C CG GLU 199 . . A 1 8.063 69.009 58.069 1.00 16 ? CG GLU 199 A 1 +ATOM 1509 C CD GLU 199 . . A 1 7.362 68.769 59.401 1.00 15.2 ? CD GLU 199 A 1 +ATOM 1510 O OE1 GLU 199 . . A 1 6.154 68.632 59.412 1.00 17.52 ? OE1 GLU 199 A 1 +ATOM 1511 O OE2 GLU 199 . . A 1 8.012 68.711 60.431 1.00 11.72 ? OE2 GLU 199 A 1 +ATOM 1512 N N SER 200 . . A 1 7.242 65.857 57.833 1.00 11.87 ? N SER 200 A 1 +ATOM 1513 C CA SER 200 . . A 1 6.778 64.855 58.793 1.00 12.54 ? CA SER 200 A 1 +ATOM 1514 C C SER 200 . . A 1 5.938 63.860 58.001 1.00 12.69 ? C SER 200 A 1 +ATOM 1515 O O SER 200 . . A 1 6.403 63.292 57.025 1.00 15.4 ? O SER 200 A 1 +ATOM 1516 C CB SER 200 . . A 1 6.151 65.519 60.050 1.00 13.3 ? CB SER 200 A 1 +ATOM 1517 O OG SER 200 . . A 1 5.634 64.653 61.093 1.00 21.59 ? OG SER 200 A 1 +ATOM 1518 N N ALA 201 . . A 1 4.675 63.680 58.393 1.00 11.48 ? N ALA 201 A 1 +ATOM 1519 C CA ALA 201 . . A 1 3.821 62.741 57.676 1.00 10.52 ? CA ALA 201 A 1 +ATOM 1520 C C ALA 201 . . A 1 3.596 63.203 56.250 1.00 13.66 ? C ALA 201 A 1 +ATOM 1521 O O ALA 201 . . A 1 3.349 62.402 55.369 1.00 17.28 ? O ALA 201 A 1 +ATOM 1522 C CB ALA 201 . . A 1 2.477 62.545 58.374 1.00 10.33 ? CB ALA 201 A 1 +ATOM 1523 N N GLY 202 . . A 1 3.704 64.518 56.030 1.00 12.24 ? N GLY 202 A 1 +ATOM 1524 C CA GLY 202 . . A 1 3.539 65.025 54.675 1.00 12.84 ? CA GLY 202 A 1 +ATOM 1525 C C GLY 202 . . A 1 4.710 64.547 53.834 1.00 14.34 ? C GLY 202 A 1 +ATOM 1526 O O GLY 202 . . A 1 4.568 64.000 52.754 1.00 18.23 ? O GLY 202 A 1 +ATOM 1527 N N GLY 203 . . A 1 5.918 64.706 54.373 1.00 9.95 ? N GLY 203 A 1 +ATOM 1528 C CA GLY 203 . . A 1 7.081 64.248 53.628 1.00 6.16 ? CA GLY 203 A 1 +ATOM 1529 C C GLY 203 . . A 1 7.043 62.740 53.414 1.00 3.97 ? C GLY 203 A 1 +ATOM 1530 O O GLY 203 . . A 1 7.506 62.188 52.429 1.00 7.91 ? O GLY 203 A 1 +ATOM 1531 N N ALA 204 . . A 1 6.469 62.029 54.374 1.00 4.18 ? N ALA 204 A 1 +ATOM 1532 C CA ALA 204 . . A 1 6.396 60.587 54.173 1.00 5.94 ? CA ALA 204 A 1 +ATOM 1533 C C ALA 204 . . A 1 5.338 60.269 53.101 1.00 6.82 ? C ALA 204 A 1 +ATOM 1534 O O ALA 204 . . A 1 5.487 59.338 52.319 1.00 10.15 ? O ALA 204 A 1 +ATOM 1535 C CB ALA 204 . . A 1 6.106 59.837 55.485 1.00 4.71 ? CB ALA 204 A 1 +ATOM 1536 N N SER 205 . . A 1 4.261 61.055 53.073 1.00 5.33 ? N SER 205 A 1 +ATOM 1537 C CA SER 205 . . A 1 3.218 60.858 52.077 1.00 5.86 ? CA SER 205 A 1 +ATOM 1538 C C SER 205 . . A 1 3.780 61.076 50.653 1.00 8.2 ? C SER 205 A 1 +ATOM 1539 O O SER 205 . . A 1 3.547 60.320 49.715 1.00 8.05 ? O SER 205 A 1 +ATOM 1540 C CB SER 205 . . A 1 2.075 61.857 52.346 1.00 7.72 ? CB SER 205 A 1 +ATOM 1541 O OG SER 205 . . A 1 1.365 61.451 53.513 1.00 5.9 ? OG SER 205 A 1 +ATOM 1542 N N VAL 206 . . A 1 4.566 62.146 50.515 1.00 6.12 ? N VAL 206 A 1 +ATOM 1543 C CA VAL 206 . . A 1 5.196 62.469 49.256 1.00 2 ? CA VAL 206 A 1 +ATOM 1544 C C VAL 206 . . A 1 5.972 61.252 48.764 1.00 3.78 ? C VAL 206 A 1 +ATOM 1545 O O VAL 206 . . A 1 5.787 60.752 47.665 1.00 11.42 ? O VAL 206 A 1 +ATOM 1546 C CB VAL 206 . . A 1 6.055 63.713 49.507 1.00 2 ? CB VAL 206 A 1 +ATOM 1547 C CG1 VAL 206 . . A 1 7.097 63.956 48.444 1.00 2 ? CG1 VAL 206 A 1 +ATOM 1548 C CG2 VAL 206 . . A 1 5.182 64.976 49.697 1.00 2 ? CG2 VAL 206 A 1 +ATOM 1549 N N GLY 207 . . A 1 6.842 60.733 49.604 1.00 4.92 ? N GLY 207 A 1 +ATOM 1550 C CA GLY 207 . . A 1 7.560 59.553 49.153 1.00 5.92 ? CA GLY 207 A 1 +ATOM 1551 C C GLY 207 . . A 1 6.625 58.386 48.855 1.00 8.28 ? C GLY 207 A 1 +ATOM 1552 O O GLY 207 . . A 1 6.941 57.511 48.058 1.00 10.84 ? O GLY 207 A 1 +ATOM 1553 N N MET 208 . . A 1 5.454 58.370 49.497 1.00 7.2 ? N MET 208 A 1 +ATOM 1554 C CA MET 208 . . A 1 4.528 57.283 49.206 1.00 13.02 ? CA MET 208 A 1 +ATOM 1555 C C MET 208 . . A 1 3.913 57.475 47.828 1.00 14.81 ? C MET 208 A 1 +ATOM 1556 O O MET 208 . . A 1 3.509 56.511 47.199 1.00 18.28 ? O MET 208 A 1 +ATOM 1557 C CB MET 208 . . A 1 3.466 57.097 50.302 1.00 12.68 ? CB MET 208 A 1 +ATOM 1558 C CG MET 208 . . A 1 4.136 56.577 51.591 1.00 17.91 ? CG MET 208 A 1 +ATOM 1559 S SD MET 208 . . A 1 3.052 56.711 53.030 1.00 20.21 ? SD MET 208 A 1 +ATOM 1560 C CE MET 208 . . A 1 3.906 55.526 54.098 1.00 20.24 ? CE MET 208 A 1 +ATOM 1561 N N HIS 209 . . A 1 3.848 58.718 47.340 1.00 14.66 ? N HIS 209 A 1 +ATOM 1562 C CA HIS 209 . . A 1 3.291 58.947 45.996 1.00 11.19 ? CA HIS 209 A 1 +ATOM 1563 C C HIS 209 . . A 1 4.358 58.572 44.978 1.00 11.42 ? C HIS 209 A 1 +ATOM 1564 O O HIS 209 . . A 1 4.084 58.017 43.928 1.00 14.54 ? O HIS 209 A 1 +ATOM 1565 C CB HIS 209 . . A 1 2.747 60.365 45.814 1.00 5.09 ? CB HIS 209 A 1 +ATOM 1566 C CG HIS 209 . . A 1 1.485 60.551 46.643 1.00 10.19 ? CG HIS 209 A 1 +ATOM 1567 N ND1 HIS 209 . . A 1 1.229 61.615 47.439 1.00 6.95 ? ND1 HIS 209 A 1 +ATOM 1568 C CD2 HIS 209 . . A 1 0.350 59.703 46.712 1.00 11.14 ? CD2 HIS 209 A 1 +ATOM 1569 C CE1 HIS 209 . . A 1 -0.001 61.438 47.940 1.00 5.74 ? CE1 HIS 209 A 1 +ATOM 1570 N NE2 HIS 209 . . A 1 -0.557 60.293 47.518 1.00 9.38 ? NE2 HIS 209 A 1 +ATOM 1571 N N ILE 210 . . A 1 5.610 58.860 45.305 1.00 6.53 ? N ILE 210 A 1 +ATOM 1572 C CA ILE 210 . . A 1 6.673 58.440 44.411 1.00 3.94 ? CA ILE 210 A 1 +ATOM 1573 C C ILE 210 . . A 1 6.668 56.913 44.266 1.00 5.37 ? C ILE 210 A 1 +ATOM 1574 O O ILE 210 . . A 1 7.180 56.400 43.284 1.00 6.16 ? O ILE 210 A 1 +ATOM 1575 C CB ILE 210 . . A 1 8.032 58.884 45.019 1.00 2 ? CB ILE 210 A 1 +ATOM 1576 C CG1 ILE 210 . . A 1 8.188 60.403 44.963 1.00 2 ? CG1 ILE 210 A 1 +ATOM 1577 C CG2 ILE 210 . . A 1 9.267 58.176 44.438 1.00 2 ? CG2 ILE 210 A 1 +ATOM 1578 C CD1 ILE 210 . . A 1 9.641 60.860 45.130 1.00 2 ? CD1 ILE 210 A 1 +ATOM 1579 N N LEU 211 . . A 1 6.136 56.196 45.270 1.00 9.23 ? N LEU 211 A 1 +ATOM 1580 C CA LEU 211 . . A 1 6.130 54.723 45.227 1.00 11.06 ? CA LEU 211 A 1 +ATOM 1581 C C LEU 211 . . A 1 4.860 54.134 44.636 1.00 10.95 ? C LEU 211 A 1 +ATOM 1582 O O LEU 211 . . A 1 4.847 53.175 43.886 1.00 11.23 ? O LEU 211 A 1 +ATOM 1583 C CB LEU 211 . . A 1 6.248 54.128 46.660 1.00 12.8 ? CB LEU 211 A 1 +ATOM 1584 C CG LEU 211 . . A 1 7.587 54.369 47.402 1.00 13.52 ? CG LEU 211 A 1 +ATOM 1585 C CD1 LEU 211 . . A 1 7.445 54.183 48.916 1.00 17.51 ? CD1 LEU 211 A 1 +ATOM 1586 C CD2 LEU 211 . . A 1 8.665 53.413 46.916 1.00 12.1 ? CD2 LEU 211 A 1 +ATOM 1587 N N SER 212 . . A 1 3.736 54.704 45.013 1.00 14.7 ? N SER 212 A 1 +ATOM 1588 C CA SER 212 . . A 1 2.476 54.173 44.523 1.00 14.5 ? CA SER 212 A 1 +ATOM 1589 C C SER 212 . . A 1 2.337 54.386 43.025 1.00 21.75 ? C SER 212 A 1 +ATOM 1590 O O SER 212 . . A 1 2.259 55.534 42.568 1.00 21.93 ? O SER 212 A 1 +ATOM 1591 C CB SER 212 . . A 1 1.355 54.934 45.211 1.00 15.12 ? CB SER 212 A 1 +ATOM 1592 O OG SER 212 . . A 1 0.118 54.303 44.978 1.00 13.22 ? OG SER 212 A 1 +ATOM 1593 N N PRO 213 . . A 1 2.192 53.264 42.271 1.00 23.23 ? N PRO 213 A 1 +ATOM 1594 C CA PRO 213 . . A 1 1.945 53.349 40.829 1.00 21.02 ? CA PRO 213 A 1 +ATOM 1595 C C PRO 213 . . A 1 0.849 54.321 40.459 1.00 19.13 ? C PRO 213 A 1 +ATOM 1596 O O PRO 213 . . A 1 1.017 55.184 39.612 1.00 27.56 ? O PRO 213 A 1 +ATOM 1597 C CB PRO 213 . . A 1 1.602 51.919 40.393 1.00 20.29 ? CB PRO 213 A 1 +ATOM 1598 C CG PRO 213 . . A 1 2.090 51.014 41.535 1.00 28 ? CG PRO 213 A 1 +ATOM 1599 C CD PRO 213 . . A 1 2.252 51.897 42.783 1.00 25.05 ? CD PRO 213 A 1 +ATOM 1600 N N GLY 214 . . A 1 -0.279 54.169 41.142 1.00 14.82 ? N GLY 214 A 1 +ATOM 1601 C CA GLY 214 . . A 1 -1.396 55.057 40.855 1.00 11.73 ? CA GLY 214 A 1 +ATOM 1602 C C GLY 214 . . A 1 -1.131 56.562 40.981 1.00 16.73 ? C GLY 214 A 1 +ATOM 1603 O O GLY 214 . . A 1 -1.838 57.366 40.392 1.00 18.79 ? O GLY 214 A 1 +ATOM 1604 N N SER 215 . . A 1 -0.120 56.979 41.746 1.00 17.16 ? N SER 215 A 1 +ATOM 1605 C CA SER 215 . . A 1 0.068 58.425 41.839 1.00 16.69 ? CA SER 215 A 1 +ATOM 1606 C C SER 215 . . A 1 1.252 58.958 41.067 1.00 16.13 ? C SER 215 A 1 +ATOM 1607 O O SER 215 . . A 1 1.328 60.161 40.835 1.00 15.15 ? O SER 215 A 1 +ATOM 1608 C CB SER 215 . . A 1 0.333 58.824 43.298 1.00 18.02 ? CB SER 215 A 1 +ATOM 1609 O OG SER 215 . . A 1 -0.780 58.428 44.069 1.00 16.1 ? OG SER 215 A 1 +ATOM 1610 N N ARG 216 . . A 1 2.166 58.067 40.662 1.00 11.76 ? N ARG 216 A 1 +ATOM 1611 C CA ARG 216 . . A 1 3.365 58.553 39.993 1.00 7.47 ? CA ARG 216 A 1 +ATOM 1612 C C ARG 216 . . A 1 3.154 59.544 38.901 1.00 12.43 ? C ARG 216 A 1 +ATOM 1613 O O ARG 216 . . A 1 4.003 60.381 38.658 1.00 13.54 ? O ARG 216 A 1 +ATOM 1614 C CB ARG 216 . . A 1 4.172 57.414 39.365 1.00 3.07 ? CB ARG 216 A 1 +ATOM 1615 C CG ARG 216 . . A 1 4.511 56.315 40.358 1.00 4.23 ? CG ARG 216 A 1 +ATOM 1616 C CD ARG 216 . . A 1 5.389 55.216 39.790 1.00 3.04 ? CD ARG 216 A 1 +ATOM 1617 N NE ARG 216 . . A 1 5.359 54.129 40.725 1.00 5.69 ? NE ARG 216 A 1 +ATOM 1618 C CZ ARG 216 . . A 1 5.964 52.959 40.550 1.00 11.34 ? CZ ARG 216 A 1 +ATOM 1619 N NH1 ARG 216 . . A 1 6.790 52.725 39.536 1.00 14.95 ? NH1 ARG 216 A 1 +ATOM 1620 N NH2 ARG 216 . . A 1 5.701 52.009 41.433 1.00 13.59 ? NH2 ARG 216 A 1 +ATOM 1621 N N ASP 217 . . A 1 2.000 59.449 38.236 1.00 15 ? N ASP 217 A 1 +ATOM 1622 C CA ASP 217 . . A 1 1.829 60.353 37.105 1.00 19.24 ? CA ASP 217 A 1 +ATOM 1623 C C ASP 217 . . A 1 1.248 61.740 37.367 1.00 18.74 ? C ASP 217 A 1 +ATOM 1624 O O ASP 217 . . A 1 1.229 62.518 36.421 1.00 21.91 ? O ASP 217 A 1 +ATOM 1625 C CB ASP 217 . . A 1 0.959 59.675 36.016 1.00 23.06 ? CB ASP 217 A 1 +ATOM 1626 C CG ASP 217 . . A 1 1.414 58.278 35.549 1.00 25.62 ? CG ASP 217 A 1 +ATOM 1627 O OD1 ASP 217 . . A 1 2.548 57.880 35.829 1.00 22.78 ? OD1 ASP 217 A 1 +ATOM 1628 O OD2 ASP 217 . . A 1 0.623 57.592 34.893 1.00 22.82 ? OD2 ASP 217 A 1 +ATOM 1629 N N LEU 218 . . A 1 0.777 62.060 38.588 1.00 16.28 ? N LEU 218 A 1 +ATOM 1630 C CA LEU 218 . . A 1 0.167 63.379 38.791 1.00 7.33 ? CA LEU 218 A 1 +ATOM 1631 C C LEU 218 . . A 1 1.103 64.435 39.320 1.00 6.79 ? C LEU 218 A 1 +ATOM 1632 O O LEU 218 . . A 1 0.637 65.480 39.781 1.00 8.66 ? O LEU 218 A 1 +ATOM 1633 C CB LEU 218 . . A 1 -1.065 63.315 39.710 1.00 4.41 ? CB LEU 218 A 1 +ATOM 1634 C CG LEU 218 . . A 1 -2.056 62.222 39.286 1.00 5.15 ? CG LEU 218 A 1 +ATOM 1635 C CD1 LEU 218 . . A 1 -1.925 61.003 40.179 1.00 12.78 ? CD1 LEU 218 A 1 +ATOM 1636 C CD2 LEU 218 . . A 1 -3.501 62.692 39.304 1.00 9.62 ? CD2 LEU 218 A 1 +ATOM 1637 N N PHE 219 . . A 1 2.408 64.162 39.300 1.00 2 ? N PHE 219 A 1 +ATOM 1638 C CA PHE 219 . . A 1 3.315 65.184 39.796 1.00 3.78 ? CA PHE 219 A 1 +ATOM 1639 C C PHE 219 . . A 1 4.652 64.960 39.090 1.00 6.87 ? C PHE 219 A 1 +ATOM 1640 O O PHE 219 . . A 1 4.892 63.889 38.535 1.00 2 ? O PHE 219 A 1 +ATOM 1641 C CB PHE 219 . . A 1 3.368 65.195 41.347 1.00 3.53 ? CB PHE 219 A 1 +ATOM 1642 C CG PHE 219 . . A 1 3.986 63.928 41.898 1.00 2 ? CG PHE 219 A 1 +ATOM 1643 C CD1 PHE 219 . . A 1 3.212 62.771 42.060 1.00 2 ? CD1 PHE 219 A 1 +ATOM 1644 C CD2 PHE 219 . . A 1 5.364 63.892 42.168 1.00 2 ? CD2 PHE 219 A 1 +ATOM 1645 C CE1 PHE 219 . . A 1 3.828 61.581 42.454 1.00 2 ? CE1 PHE 219 A 1 +ATOM 1646 C CE2 PHE 219 . . A 1 5.977 62.707 42.564 1.00 2 ? CE2 PHE 219 A 1 +ATOM 1647 C CZ PHE 219 . . A 1 5.206 61.550 42.701 1.00 2 ? CZ PHE 219 A 1 +ATOM 1648 N N ARG 220 . . A 1 5.515 65.991 39.120 1.00 6.39 ? N ARG 220 A 1 +ATOM 1649 C CA ARG 220 . . A 1 6.808 65.884 38.440 1.00 9.97 ? CA ARG 220 A 1 +ATOM 1650 C C ARG 220 . . A 1 7.912 65.556 39.397 1.00 14.43 ? C ARG 220 A 1 +ATOM 1651 O O ARG 220 . . A 1 8.466 64.473 39.360 1.00 18.16 ? O ARG 220 A 1 +ATOM 1652 C CB ARG 220 . . A 1 7.108 67.173 37.640 1.00 12.04 ? CB ARG 220 A 1 +ATOM 1653 C CG ARG 220 . . A 1 8.271 67.027 36.635 1.00 15.91 ? CG ARG 220 A 1 +ATOM 1654 C CD ARG 220 . . A 1 8.000 67.797 35.337 1.00 19.43 ? CD ARG 220 A 1 +ATOM 1655 N NE ARG 220 . . A 1 9.148 67.726 34.445 1.00 22.8 ? NE ARG 220 A 1 +ATOM 1656 C CZ ARG 220 . . A 1 9.270 68.564 33.400 1.00 22.42 ? CZ ARG 220 A 1 +ATOM 1657 N NH1 ARG 220 . . A 1 8.375 69.516 33.153 1.00 20.61 ? NH1 ARG 220 A 1 +ATOM 1658 N NH2 ARG 220 . . A 1 10.321 68.455 32.605 1.00 25.46 ? NH2 ARG 220 A 1 +ATOM 1659 N N ARG 221 . . A 1 8.195 66.527 40.276 1.00 17.89 ? N ARG 221 A 1 +ATOM 1660 C CA ARG 221 . . A 1 9.258 66.383 41.266 1.00 17.22 ? CA ARG 221 A 1 +ATOM 1661 C C ARG 221 . . A 1 8.644 66.313 42.658 1.00 17.46 ? C ARG 221 A 1 +ATOM 1662 O O ARG 221 . . A 1 7.445 66.512 42.819 1.00 17.58 ? O ARG 221 A 1 +ATOM 1663 C CB ARG 221 . . A 1 10.161 67.625 41.216 1.00 19.05 ? CB ARG 221 A 1 +ATOM 1664 C CG ARG 221 . . A 1 10.647 68.028 39.816 1.00 16.37 ? CG ARG 221 A 1 +ATOM 1665 C CD ARG 221 . . A 1 11.060 69.518 39.785 1.00 28.68 ? CD ARG 221 A 1 +ATOM 1666 N NE ARG 221 . . A 1 10.931 70.103 38.460 1.00 33.55 ? NE ARG 221 A 1 +ATOM 1667 C CZ ARG 221 . . A 1 11.679 69.665 37.455 1.00 35.29 ? CZ ARG 221 A 1 +ATOM 1668 N NH1 ARG 221 . . A 1 12.631 68.772 37.692 1.00 34.37 ? NH1 ARG 221 A 1 +ATOM 1669 N NH2 ARG 221 . . A 1 11.456 70.112 36.218 1.00 36.84 ? NH2 ARG 221 A 1 +ATOM 1670 N N ALA 222 . . A 1 9.486 66.088 43.675 1.00 15.7 ? N ALA 222 A 1 +ATOM 1671 C CA ALA 222 . . A 1 8.963 66.034 45.036 1.00 13.29 ? CA ALA 222 A 1 +ATOM 1672 C C ALA 222 . . A 1 10.009 66.556 46.017 1.00 13.23 ? C ALA 222 A 1 +ATOM 1673 O O ALA 222 . . A 1 11.200 66.445 45.737 1.00 14.05 ? O ALA 222 A 1 +ATOM 1674 C CB ALA 222 . . A 1 8.669 64.583 45.397 1.00 9.62 ? CB ALA 222 A 1 +ATOM 1675 N N ILE 223 . . A 1 9.543 67.114 47.149 1.00 13.4 ? N ILE 223 A 1 +ATOM 1676 C CA ILE 223 . . A 1 10.397 67.622 48.233 1.00 11.2 ? CA ILE 223 A 1 +ATOM 1677 C C ILE 223 . . A 1 9.900 66.909 49.494 1.00 11.06 ? C ILE 223 A 1 +ATOM 1678 O O ILE 223 . . A 1 8.696 66.894 49.755 1.00 9.43 ? O ILE 223 A 1 +ATOM 1679 C CB ILE 223 . . A 1 10.267 69.139 48.446 1.00 7.01 ? CB ILE 223 A 1 +ATOM 1680 C CG1 ILE 223 . . A 1 10.630 69.951 47.196 1.00 8.53 ? CG1 ILE 223 A 1 +ATOM 1681 C CG2 ILE 223 . . A 1 11.073 69.602 49.656 1.00 6.83 ? CG2 ILE 223 A 1 +ATOM 1682 C CD1 ILE 223 . . A 1 10.706 71.477 47.400 1.00 2 ? CD1 ILE 223 A 1 +ATOM 1683 N N LEU 224 . . A 1 10.832 66.364 50.282 1.00 10.82 ? N LEU 224 A 1 +ATOM 1684 C CA LEU 224 . . A 1 10.454 65.636 51.504 1.00 10.14 ? CA LEU 224 A 1 +ATOM 1685 C C LEU 224 . . A 1 11.186 66.286 52.662 1.00 7.47 ? C LEU 224 A 1 +ATOM 1686 O O LEU 224 . . A 1 12.407 66.353 52.657 1.00 8.76 ? O LEU 224 A 1 +ATOM 1687 C CB LEU 224 . . A 1 10.856 64.138 51.432 1.00 9.75 ? CB LEU 224 A 1 +ATOM 1688 C CG LEU 224 . . A 1 10.162 63.329 50.311 1.00 4.79 ? CG LEU 224 A 1 +ATOM 1689 C CD1 LEU 224 . . A 1 10.817 63.512 48.939 1.00 5.18 ? CD1 LEU 224 A 1 +ATOM 1690 C CD2 LEU 224 . . A 1 10.126 61.833 50.641 1.00 2 ? CD2 LEU 224 A 1 +ATOM 1691 N N GLN 225 . . A 1 10.441 66.772 53.661 1.00 6.25 ? N GLN 225 A 1 +ATOM 1692 C CA GLN 225 . . A 1 11.071 67.435 54.809 1.00 5.17 ? CA GLN 225 A 1 +ATOM 1693 C C GLN 225 . . A 1 10.840 66.600 56.068 1.00 5.65 ? C GLN 225 A 1 +ATOM 1694 O O GLN 225 . . A 1 9.703 66.387 56.488 1.00 4.29 ? O GLN 225 A 1 +ATOM 1695 C CB GLN 225 . . A 1 10.491 68.867 54.981 1.00 6.19 ? CB GLN 225 A 1 +ATOM 1696 C CG GLN 225 . . A 1 10.039 69.499 53.638 1.00 9.69 ? CG GLN 225 A 1 +ATOM 1697 C CD GLN 225 . . A 1 9.983 71.001 53.631 1.00 7.42 ? CD GLN 225 A 1 +ATOM 1698 O OE1 GLN 225 . . A 1 8.963 71.660 53.579 1.00 11.52 ? OE1 GLN 225 A 1 +ATOM 1699 N NE2 GLN 225 . . A 1 11.165 71.555 53.655 1.00 14.31 ? NE2 GLN 225 A 1 +ATOM 1700 N N SER 226 . . A 1 11.935 66.119 56.667 1.00 7.22 ? N SER 226 A 1 +ATOM 1701 C CA SER 226 . . A 1 11.870 65.309 57.882 1.00 7.97 ? CA SER 226 A 1 +ATOM 1702 C C SER 226 . . A 1 10.855 64.187 57.790 1.00 9.27 ? C SER 226 A 1 +ATOM 1703 O O SER 226 . . A 1 10.069 63.996 58.704 1.00 14.08 ? O SER 226 A 1 +ATOM 1704 C CB SER 226 . . A 1 11.509 66.207 59.087 1.00 9.13 ? CB SER 226 A 1 +ATOM 1705 O OG SER 226 . . A 1 12.345 67.380 59.155 1.00 17.16 ? OG SER 226 A 1 +ATOM 1706 N N GLY 227 . . A 1 10.841 63.453 56.686 1.00 9.93 ? N GLY 227 A 1 +ATOM 1707 C CA GLY 227 . . A 1 9.866 62.365 56.553 1.00 10 ? CA GLY 227 A 1 +ATOM 1708 C C GLY 227 . . A 1 10.398 61.422 55.485 1.00 9.65 ? C GLY 227 A 1 +ATOM 1709 O O GLY 227 . . A 1 11.241 61.798 54.678 1.00 9.92 ? O GLY 227 A 1 +ATOM 1710 N N SER 228 . . A 1 9.934 60.186 55.475 1.00 4.61 ? N SER 228 A 1 +ATOM 1711 C CA SER 228 . . A 1 10.456 59.283 54.477 1.00 4.86 ? CA SER 228 A 1 +ATOM 1712 C C SER 228 . . A 1 9.499 58.143 54.546 1.00 8.96 ? C SER 228 A 1 +ATOM 1713 O O SER 228 . . A 1 9.098 57.836 55.653 1.00 14.21 ? O SER 228 A 1 +ATOM 1714 C CB SER 228 . . A 1 11.860 58.847 54.901 1.00 2.4 ? CB SER 228 A 1 +ATOM 1715 O OG SER 228 . . A 1 12.576 58.342 53.834 1.00 10.54 ? OG SER 228 A 1 +ATOM 1716 N N PRO 229 . . A 1 9.076 57.527 53.426 1.00 11.99 ? N PRO 229 A 1 +ATOM 1717 C CA PRO 229 . . A 1 7.931 56.615 53.484 1.00 9.6 ? CA PRO 229 A 1 +ATOM 1718 C C PRO 229 . . A 1 8.277 55.397 54.298 1.00 7.79 ? C PRO 229 A 1 +ATOM 1719 O O PRO 229 . . A 1 7.446 54.725 54.874 1.00 10.9 ? O PRO 229 A 1 +ATOM 1720 C CB PRO 229 . . A 1 7.694 56.249 52.014 1.00 10.02 ? CB PRO 229 A 1 +ATOM 1721 C CG PRO 229 . . A 1 9.027 56.508 51.286 1.00 11.62 ? CG PRO 229 A 1 +ATOM 1722 C CD PRO 229 . . A 1 9.709 57.613 52.107 1.00 11.57 ? CD PRO 229 A 1 +ATOM 1723 N N ASN 230 . . A 1 9.573 55.114 54.322 1.00 7.25 ? N ASN 230 A 1 +ATOM 1724 C CA ASN 230 . . A 1 10.101 53.963 55.035 1.00 6.94 ? CA ASN 230 A 1 +ATOM 1725 C C ASN 230 . . A 1 10.359 54.238 56.512 1.00 9.37 ? C ASN 230 A 1 +ATOM 1726 O O ASN 230 . . A 1 10.986 53.433 57.193 1.00 15.47 ? O ASN 230 A 1 +ATOM 1727 C CB ASN 230 . . A 1 11.407 53.456 54.369 1.00 2 ? CB ASN 230 A 1 +ATOM 1728 C CG ASN 230 . . A 1 12.516 54.501 54.448 1.00 6.77 ? CG ASN 230 A 1 +ATOM 1729 O OD1 ASN 230 . . A 1 12.303 55.690 54.241 1.00 2 ? OD1 ASN 230 A 1 +ATOM 1730 N ND2 ASN 230 . . A 1 13.720 54.047 54.770 1.00 11.81 ? ND2 ASN 230 A 1 +ATOM 1731 N N CYS 231 . . A 1 9.937 55.401 57.009 1.00 7.38 ? N CYS 231 A 1 +ATOM 1732 C CA CYS 231 . . A 1 10.172 55.654 58.423 1.00 5.55 ? CA CYS 231 A 1 +ATOM 1733 C C CYS 231 . . A 1 9.274 54.707 59.206 1.00 7.9 ? C CYS 231 A 1 +ATOM 1734 O O CYS 231 . . A 1 8.155 54.482 58.758 1.00 6.82 ? O CYS 231 A 1 +ATOM 1735 C CB CYS 231 . . A 1 9.735 57.072 58.763 1.00 2.72 ? CB CYS 231 A 1 +ATOM 1736 S SG CYS 231 . . A 1 10.980 58.262 58.302 1.00 16.21 ? SG CYS 231 A 1 +ATOM 1737 N N PRO 232 . . A 1 9.742 54.211 60.387 1.00 6.94 ? N PRO 232 A 1 +ATOM 1738 C CA PRO 232 . . A 1 9.078 53.113 61.078 1.00 6.07 ? CA PRO 232 A 1 +ATOM 1739 C C PRO 232 . . A 1 7.696 53.428 61.555 1.00 10.04 ? C PRO 232 A 1 +ATOM 1740 O O PRO 232 . . A 1 6.866 52.567 61.792 1.00 14.91 ? O PRO 232 A 1 +ATOM 1741 C CB PRO 232 . . A 1 9.964 52.840 62.296 1.00 3.63 ? CB PRO 232 A 1 +ATOM 1742 C CG PRO 232 . . A 1 10.918 54.028 62.451 1.00 2 ? CG PRO 232 A 1 +ATOM 1743 C CD PRO 232 . . A 1 10.904 54.738 61.101 1.00 6.31 ? CD PRO 232 A 1 +ATOM 1744 N N TRP 233 . . A 1 7.475 54.719 61.733 1.00 10.65 ? N TRP 233 A 1 +ATOM 1745 C CA TRP 233 . . A 1 6.176 55.128 62.214 1.00 10.28 ? CA TRP 233 A 1 +ATOM 1746 C C TRP 233 . . A 1 5.197 55.439 61.106 1.00 12.09 ? C TRP 233 A 1 +ATOM 1747 O O TRP 233 . . A 1 4.084 55.868 61.389 1.00 15.11 ? O TRP 233 A 1 +ATOM 1748 C CB TRP 233 . . A 1 6.341 56.372 63.088 1.00 7.96 ? CB TRP 233 A 1 +ATOM 1749 C CG TRP 233 . . A 1 7.222 57.386 62.399 1.00 7 ? CG TRP 233 A 1 +ATOM 1750 C CD1 TRP 233 . . A 1 8.621 57.518 62.583 1.00 9.69 ? CD1 TRP 233 A 1 +ATOM 1751 C CD2 TRP 233 . . A 1 6.822 58.383 61.495 1.00 5.75 ? CD2 TRP 233 A 1 +ATOM 1752 N NE1 TRP 233 . . A 1 9.099 58.558 61.845 1.00 9.36 ? NE1 TRP 233 A 1 +ATOM 1753 C CE2 TRP 233 . . A 1 8.057 59.138 61.158 1.00 6.32 ? CE2 TRP 233 A 1 +ATOM 1754 C CE3 TRP 233 . . A 1 5.602 58.746 60.911 1.00 4.33 ? CE3 TRP 233 A 1 +ATOM 1755 C CZ2 TRP 233 . . A 1 7.987 60.215 60.272 1.00 2 ? CZ2 TRP 233 A 1 +ATOM 1756 C CZ3 TRP 233 . . A 1 5.565 59.831 60.018 1.00 4.01 ? CZ3 TRP 233 A 1 +ATOM 1757 C CH2 TRP 233 . . A 1 6.738 60.552 59.709 1.00 5.7 ? CH2 TRP 233 A 1 +ATOM 1758 N N ALA 234 . . A 1 5.603 55.263 59.837 1.00 10.4 ? N ALA 234 A 1 +ATOM 1759 C CA ALA 234 . . A 1 4.664 55.613 58.762 1.00 10.23 ? CA ALA 234 A 1 +ATOM 1760 C C ALA 234 . . A 1 3.829 54.471 58.193 1.00 9.2 ? C ALA 234 A 1 +ATOM 1761 O O ALA 234 . . A 1 2.994 54.737 57.345 1.00 8.66 ? O ALA 234 A 1 +ATOM 1762 C CB ALA 234 . . A 1 5.389 56.299 57.601 1.00 9.92 ? CB ALA 234 A 1 +ATOM 1763 N N SER 235 . . A 1 4.009 53.214 58.584 1.00 9.85 ? N SER 235 A 1 +ATOM 1764 C CA SER 235 . . A 1 3.125 52.240 57.963 1.00 8.55 ? CA SER 235 A 1 +ATOM 1765 C C SER 235 . . A 1 2.925 51.041 58.838 1.00 11.23 ? C SER 235 A 1 +ATOM 1766 O O SER 235 . . A 1 3.702 50.831 59.755 1.00 14.24 ? O SER 235 A 1 +ATOM 1767 C CB SER 235 . . A 1 3.689 51.813 56.616 1.00 9.56 ? CB SER 235 A 1 +ATOM 1768 O OG SER 235 . . A 1 5.031 51.343 56.756 1.00 11.78 ? OG SER 235 A 1 +ATOM 1769 N N VAL 236 . . A 1 1.875 50.263 58.594 1.00 12.67 ? N VAL 236 A 1 +ATOM 1770 C CA VAL 236 . . A 1 1.665 49.054 59.377 1.00 12.89 ? CA VAL 236 A 1 +ATOM 1771 C C VAL 236 . . A 1 1.203 47.980 58.410 1.00 14.64 ? C VAL 236 A 1 +ATOM 1772 O O VAL 236 . . A 1 0.770 48.250 57.299 1.00 18.52 ? O VAL 236 A 1 +ATOM 1773 C CB VAL 236 . . A 1 0.694 49.230 60.562 1.00 13.36 ? CB VAL 236 A 1 +ATOM 1774 C CG1 VAL 236 . . A 1 1.252 50.234 61.568 1.00 9.32 ? CG1 VAL 236 A 1 +ATOM 1775 C CG2 VAL 236 . . A 1 -0.759 49.575 60.164 1.00 12.44 ? CG2 VAL 236 A 1 +ATOM 1776 N N SER 237 . . A 1 1.280 46.733 58.829 1.00 11.99 ? N SER 237 A 1 +ATOM 1777 C CA SER 237 . . A 1 0.841 45.682 57.934 1.00 14.87 ? CA SER 237 A 1 +ATOM 1778 C C SER 237 . . A 1 -0.664 45.589 58.008 1.00 16.44 ? C SER 237 A 1 +ATOM 1779 O O SER 237 . . A 1 -1.283 46.134 58.916 1.00 17.84 ? O SER 237 A 1 +ATOM 1780 C CB SER 237 . . A 1 1.473 44.359 58.355 1.00 20.46 ? CB SER 237 A 1 +ATOM 1781 O OG SER 237 . . A 1 1.233 44.181 59.749 1.00 31.59 ? OG SER 237 A 1 +ATOM 1782 N N VAL 238 . . A 1 -1.261 44.849 57.074 1.00 16.3 ? N VAL 238 A 1 +ATOM 1783 C CA VAL 238 . . A 1 -2.705 44.760 57.161 1.00 17.07 ? CA VAL 238 A 1 +ATOM 1784 C C VAL 238 . . A 1 -3.148 44.105 58.431 1.00 17.3 ? C VAL 238 A 1 +ATOM 1785 O O VAL 238 . . A 1 -4.183 44.417 59.005 1.00 20.67 ? O VAL 238 A 1 +ATOM 1786 C CB VAL 238 . . A 1 -3.267 44.082 55.922 1.00 13.86 ? CB VAL 238 A 1 +ATOM 1787 C CG1 VAL 238 . . A 1 -3.019 44.988 54.718 1.00 21.79 ? CG1 VAL 238 A 1 +ATOM 1788 C CG2 VAL 238 . . A 1 -2.649 42.709 55.657 1.00 20.71 ? CG2 VAL 238 A 1 +ATOM 1789 N N ALA 239 . . A 1 -2.299 43.184 58.874 1.00 16.88 ? N ALA 239 A 1 +ATOM 1790 C CA ALA 239 . . A 1 -2.651 42.491 60.097 1.00 19.71 ? CA ALA 239 A 1 +ATOM 1791 C C ALA 239 . . A 1 -2.739 43.451 61.258 1.00 22.34 ? C ALA 239 A 1 +ATOM 1792 O O ALA 239 . . A 1 -3.704 43.480 62.010 1.00 24.99 ? O ALA 239 A 1 +ATOM 1793 C CB ALA 239 . . A 1 -1.629 41.400 60.402 1.00 20.58 ? CB ALA 239 A 1 +ATOM 1794 N N GLU 240 . . A 1 -1.687 44.271 61.369 1.00 21.45 ? N GLU 240 A 1 +ATOM 1795 C CA GLU 240 . . A 1 -1.680 45.231 62.462 1.00 20.5 ? CA GLU 240 A 1 +ATOM 1796 C C GLU 240 . . A 1 -2.828 46.188 62.386 1.00 19.54 ? C GLU 240 A 1 +ATOM 1797 O O GLU 240 . . A 1 -3.458 46.502 63.378 1.00 22.06 ? O GLU 240 A 1 +ATOM 1798 C CB GLU 240 . . A 1 -0.360 46.019 62.554 1.00 23.57 ? CB GLU 240 A 1 +ATOM 1799 C CG GLU 240 . . A 1 0.418 45.679 63.843 1.00 30.3 ? CG GLU 240 A 1 +ATOM 1800 C CD GLU 240 . . A 1 -0.134 46.401 65.072 1.00 27.07 ? CD GLU 240 A 1 +ATOM 1801 O OE1 GLU 240 . . A 1 -1.308 46.735 65.099 1.00 26.76 ? OE1 GLU 240 A 1 +ATOM 1802 O OE2 GLU 240 . . A 1 0.622 46.643 65.998 1.00 28.68 ? OE2 GLU 240 A 1 +ATOM 1803 N N GLY 241 . . A 1 -3.095 46.672 61.187 1.00 19.6 ? N GLY 241 A 1 +ATOM 1804 C CA GLY 241 . . A 1 -4.201 47.607 61.081 1.00 17.71 ? CA GLY 241 A 1 +ATOM 1805 C C GLY 241 . . A 1 -5.484 46.963 61.526 1.00 16.81 ? C GLY 241 A 1 +ATOM 1806 O O GLY 241 . . A 1 -6.326 47.575 62.165 1.00 17.07 ? O GLY 241 A 1 +ATOM 1807 N N ARG 242 . . A 1 -5.615 45.674 61.211 1.00 18.59 ? N ARG 242 A 1 +ATOM 1808 C CA ARG 242 . . A 1 -6.839 45.009 61.630 1.00 21.59 ? CA ARG 242 A 1 +ATOM 1809 C C ARG 242 . . A 1 -6.910 44.993 63.144 1.00 22.77 ? C ARG 242 A 1 +ATOM 1810 O O ARG 242 . . A 1 -7.902 45.334 63.782 1.00 24.72 ? O ARG 242 A 1 +ATOM 1811 C CB ARG 242 . . A 1 -6.885 43.591 61.054 1.00 20.14 ? CB ARG 242 A 1 +ATOM 1812 C CG ARG 242 . . A 1 -8.240 42.915 61.291 1.00 27.41 ? CG ARG 242 A 1 +ATOM 1813 C CD ARG 242 . . A 1 -8.448 41.677 60.402 1.00 32.04 ? CD ARG 242 A 1 +ATOM 1814 N NE ARG 242 . . A 1 -8.830 42.067 59.050 1.00 38.93 ? NE ARG 242 A 1 +ATOM 1815 C CZ ARG 242 . . A 1 -10.099 42.372 58.735 1.00 42.03 ? CZ ARG 242 A 1 +ATOM 1816 N NH1 ARG 242 . . A 1 -11.063 42.318 59.650 1.00 41.27 ? NH1 ARG 242 A 1 +ATOM 1817 N NH2 ARG 242 . . A 1 -10.400 42.719 57.484 1.00 48.9 ? NH2 ARG 242 A 1 +ATOM 1818 N N ARG 243 . . A 1 -5.778 44.583 63.707 1.00 21.15 ? N ARG 243 A 1 +ATOM 1819 C CA ARG 243 . . A 1 -5.649 44.508 65.137 1.00 19.68 ? CA ARG 243 A 1 +ATOM 1820 C C ARG 243 . . A 1 -6.085 45.804 65.811 1.00 20.18 ? C ARG 243 A 1 +ATOM 1821 O O ARG 243 . . A 1 -6.945 45.824 66.687 1.00 22.86 ? O ARG 243 A 1 +ATOM 1822 C CB ARG 243 . . A 1 -4.203 44.175 65.490 1.00 25.56 ? CB ARG 243 A 1 +ATOM 1823 C CG ARG 243 . . A 1 -4.106 43.158 66.634 1.00 39.24 ? CG ARG 243 A 1 +ATOM 1824 C CD ARG 243 . . A 1 -2.964 43.359 67.672 1.00 50.63 ? CD ARG 243 A 1 +ATOM 1825 N NE ARG 243 . . A 1 -2.293 44.668 67.651 1.00 52.71 ? NE ARG 243 A 1 +ATOM 1826 C CZ ARG 243 . . A 1 -2.663 45.754 68.373 1.00 54.11 ? CZ ARG 243 A 1 +ATOM 1827 N NH1 ARG 243 . . A 1 -3.759 45.769 69.142 1.00 53.49 ? NH1 ARG 243 A 1 +ATOM 1828 N NH2 ARG 243 . . A 1 -1.899 46.844 68.331 1.00 52.99 ? NH2 ARG 243 A 1 +ATOM 1829 N N ARG 244 . . A 1 -5.476 46.905 65.381 1.00 14.29 ? N ARG 244 A 1 +ATOM 1830 C CA ARG 244 . . A 1 -5.837 48.182 65.980 1.00 13.22 ? CA ARG 244 A 1 +ATOM 1831 C C ARG 244 . . A 1 -7.269 48.582 65.667 1.00 18.25 ? C ARG 244 A 1 +ATOM 1832 O O ARG 244 . . A 1 -7.947 49.238 66.450 1.00 22.33 ? O ARG 244 A 1 +ATOM 1833 C CB ARG 244 . . A 1 -4.915 49.321 65.515 1.00 8.69 ? CB ARG 244 A 1 +ATOM 1834 C CG ARG 244 . . A 1 -3.440 48.987 65.728 1.00 3.14 ? CG ARG 244 A 1 +ATOM 1835 C CD ARG 244 . . A 1 -2.461 50.102 65.352 1.00 2 ? CD ARG 244 A 1 +ATOM 1836 N NE ARG 244 . . A 1 -1.132 49.595 65.636 1.00 2 ? NE ARG 244 A 1 +ATOM 1837 C CZ ARG 244 . . A 1 -0.019 50.311 65.467 1.00 4.07 ? CZ ARG 244 A 1 +ATOM 1838 N NH1 ARG 244 . . A 1 -0.037 51.595 65.109 1.00 3.12 ? NH1 ARG 244 A 1 +ATOM 1839 N NH2 ARG 244 . . A 1 1.148 49.721 65.664 1.00 3.18 ? NH2 ARG 244 A 1 +ATOM 1840 N N ALA 245 . . A 1 -7.734 48.170 64.494 1.00 19.86 ? N ALA 245 A 1 +ATOM 1841 C CA ALA 245 . . A 1 -9.075 48.541 64.107 1.00 18.78 ? CA ALA 245 A 1 +ATOM 1842 C C ALA 245 . . A 1 -10.095 47.949 65.022 1.00 20.84 ? C ALA 245 A 1 +ATOM 1843 O O ALA 245 . . A 1 -11.067 48.583 65.403 1.00 21.84 ? O ALA 245 A 1 +ATOM 1844 C CB ALA 245 . . A 1 -9.343 48.070 62.679 1.00 21.74 ? CB ALA 245 A 1 +ATOM 1845 N N VAL 246 . . A 1 -9.839 46.699 65.386 1.00 22.44 ? N VAL 246 A 1 +ATOM 1846 C CA VAL 246 . . A 1 -10.754 45.975 66.263 1.00 25.15 ? CA VAL 246 A 1 +ATOM 1847 C C VAL 246 . . A 1 -10.609 46.438 67.693 1.00 25.86 ? C VAL 246 A 1 +ATOM 1848 O O VAL 246 . . A 1 -11.558 46.574 68.455 1.00 26.45 ? O VAL 246 A 1 +ATOM 1849 C CB VAL 246 . . A 1 -10.494 44.470 66.075 1.00 23.34 ? CB VAL 246 A 1 +ATOM 1850 C CG1 VAL 246 . . A 1 -10.293 43.644 67.350 1.00 23.96 ? CG1 VAL 246 A 1 +ATOM 1851 C CG2 VAL 246 . . A 1 -11.575 43.874 65.168 1.00 29.5 ? CG2 VAL 246 A 1 +ATOM 1852 N N GLU 247 . . A 1 -9.357 46.691 68.063 1.00 28.05 ? N GLU 247 A 1 +ATOM 1853 C CA GLU 247 . . A 1 -9.075 47.151 69.409 1.00 23.29 ? CA GLU 247 A 1 +ATOM 1854 C C GLU 247 . . A 1 -9.797 48.444 69.684 1.00 19.74 ? C GLU 247 A 1 +ATOM 1855 O O GLU 247 . . A 1 -10.273 48.697 70.782 1.00 22.4 ? O GLU 247 A 1 +ATOM 1856 C CB GLU 247 . . A 1 -7.564 47.278 69.601 1.00 28.4 ? CB GLU 247 A 1 +ATOM 1857 C CG GLU 247 . . A 1 -7.144 47.345 71.067 1.00 40.09 ? CG GLU 247 A 1 +ATOM 1858 C CD GLU 247 . . A 1 -7.638 46.115 71.815 1.00 46.37 ? CD GLU 247 A 1 +ATOM 1859 O OE1 GLU 247 . . A 1 -7.740 45.049 71.196 1.00 45.76 ? OE1 GLU 247 A 1 +ATOM 1860 O OE2 GLU 247 . . A 1 -7.933 46.237 73.007 1.00 52.56 ? OE2 GLU 247 A 1 +ATOM 1861 N N LEU 248 . . A 1 -9.884 49.267 68.644 1.00 17.77 ? N LEU 248 A 1 +ATOM 1862 C CA LEU 248 . . A 1 -10.612 50.516 68.796 1.00 16.07 ? CA LEU 248 A 1 +ATOM 1863 C C LEU 248 . . A 1 -12.057 50.175 69.038 1.00 16.1 ? C LEU 248 A 1 +ATOM 1864 O O LEU 248 . . A 1 -12.733 50.697 69.906 1.00 18.19 ? O LEU 248 A 1 +ATOM 1865 C CB LEU 248 . . A 1 -10.540 51.368 67.524 1.00 13.23 ? CB LEU 248 A 1 +ATOM 1866 C CG LEU 248 . . A 1 -11.058 52.795 67.764 1.00 12.13 ? CG LEU 248 A 1 +ATOM 1867 C CD1 LEU 248 . . A 1 -10.051 53.618 68.579 1.00 21.34 ? CD1 LEU 248 A 1 +ATOM 1868 C CD2 LEU 248 . . A 1 -11.360 53.513 66.456 1.00 10.06 ? CD2 LEU 248 A 1 +ATOM 1869 N N GLY 249 . . A 1 -12.517 49.220 68.249 1.00 17.29 ? N GLY 249 A 1 +ATOM 1870 C CA GLY 249 . . A 1 -13.888 48.784 68.363 1.00 18.58 ? CA GLY 249 A 1 +ATOM 1871 C C GLY 249 . . A 1 -14.254 48.364 69.750 1.00 21.46 ? C GLY 249 A 1 +ATOM 1872 O O GLY 249 . . A 1 -15.311 48.718 70.259 1.00 19.7 ? O GLY 249 A 1 +ATOM 1873 N N ARG 250 . . A 1 -13.353 47.612 70.389 1.00 24.6 ? N ARG 250 A 1 +ATOM 1874 C CA ARG 250 . . A 1 -13.712 47.195 71.734 1.00 29.78 ? CA ARG 250 A 1 +ATOM 1875 C C ARG 250 . . A 1 -13.672 48.348 72.707 1.00 28.84 ? C ARG 250 A 1 +ATOM 1876 O O ARG 250 . . A 1 -14.412 48.351 73.672 1.00 32.85 ? O ARG 250 A 1 +ATOM 1877 C CB ARG 250 . . A 1 -13.000 45.921 72.197 1.00 31.65 ? CB ARG 250 A 1 +ATOM 1878 C CG ARG 250 . . A 1 -11.564 46.095 72.694 1.00 38.32 ? CG ARG 250 A 1 +ATOM 1879 C CD ARG 250 . . A 1 -10.716 44.826 72.510 1.00 42.1 ? CD ARG 250 A 1 +ATOM 1880 N NE ARG 250 . . A 1 -11.511 43.603 72.529 1.00 47.16 ? NE ARG 250 A 1 +ATOM 1881 C CZ ARG 250 . . A 1 -11.060 42.488 71.919 1.00 52.25 ? CZ ARG 250 A 1 +ATOM 1882 N NH1 ARG 250 . . A 1 -9.846 42.455 71.360 1.00 51.05 ? NH1 ARG 250 A 1 +ATOM 1883 N NH2 ARG 250 . . A 1 -11.833 41.398 71.868 1.00 54.19 ? NH2 ARG 250 A 1 +ATOM 1884 N N ASN 251 . . A 1 -12.838 49.354 72.455 1.00 27.17 ? N ASN 251 A 1 +ATOM 1885 C CA ASN 251 . . A 1 -12.850 50.482 73.400 1.00 27.75 ? CA ASN 251 A 1 +ATOM 1886 C C ASN 251 . . A 1 -14.185 51.219 73.329 1.00 24.12 ? C ASN 251 A 1 +ATOM 1887 O O ASN 251 . . A 1 -14.548 51.915 74.259 1.00 23.52 ? O ASN 251 A 1 +ATOM 1888 C CB ASN 251 . . A 1 -11.711 51.511 73.204 1.00 32.09 ? CB ASN 251 A 1 +ATOM 1889 C CG ASN 251 . . A 1 -10.356 51.085 73.755 1.00 34.22 ? CG ASN 251 A 1 +ATOM 1890 O OD1 ASN 251 . . A 1 -9.710 51.814 74.491 1.00 37.29 ? OD1 ASN 251 A 1 +ATOM 1891 N ND2 ASN 251 . . A 1 -9.902 49.886 73.399 1.00 34.04 ? ND2 ASN 251 A 1 +ATOM 1892 N N LEU 252 . . A 1 -14.909 51.094 72.209 1.00 24.55 ? N LEU 252 A 1 +ATOM 1893 C CA LEU 252 . . A 1 -16.217 51.752 72.133 1.00 25.74 ? CA LEU 252 A 1 +ATOM 1894 C C LEU 252 . . A 1 -17.323 50.719 72.346 1.00 26.48 ? C LEU 252 A 1 +ATOM 1895 O O LEU 252 . . A 1 -18.519 50.958 72.198 1.00 23.35 ? O LEU 252 A 1 +ATOM 1896 C CB LEU 252 . . A 1 -16.488 52.490 70.818 1.00 25.9 ? CB LEU 252 A 1 +ATOM 1897 C CG LEU 252 . . A 1 -15.578 53.685 70.503 1.00 28.99 ? CG LEU 252 A 1 +ATOM 1898 C CD1 LEU 252 . . A 1 -15.508 54.707 71.638 1.00 28.34 ? CD1 LEU 252 A 1 +ATOM 1899 C CD2 LEU 252 . . A 1 -14.181 53.256 70.045 1.00 33.43 ? CD2 LEU 252 A 1 +ATOM 1900 N N ASN 253 . . A 1 -16.888 49.519 72.719 1.00 30.95 ? N ASN 253 A 1 +ATOM 1901 C CA ASN 253 . . A 1 -17.778 48.392 72.987 1.00 36.81 ? CA ASN 253 A 1 +ATOM 1902 C C ASN 253 . . A 1 -18.655 48.030 71.804 1.00 34.3 ? C ASN 253 A 1 +ATOM 1903 O O ASN 253 . . A 1 -19.840 47.745 71.914 1.00 31.53 ? O ASN 253 A 1 +ATOM 1904 C CB ASN 253 . . A 1 -18.562 48.511 74.327 1.00 41.04 ? CB ASN 253 A 1 +ATOM 1905 C CG ASN 253 . . A 1 -19.823 49.371 74.216 1.00 46.22 ? CG ASN 253 A 1 +ATOM 1906 N N CYS 254 . . A 1 -18.026 48.082 70.650 1.00 35.23 ? N CYS 254 A 1 +ATOM 1907 C CA CYS 254 . . A 1 -18.746 47.740 69.444 1.00 36.37 ? CA CYS 254 A 1 +ATOM 1908 C C CYS 254 . . A 1 -18.806 46.251 69.356 1.00 40.41 ? C CYS 254 A 1 +ATOM 1909 O O CYS 254 . . A 1 -17.977 45.558 69.928 1.00 42.26 ? O CYS 254 A 1 +ATOM 1910 C CB CYS 254 . . A 1 -17.968 48.234 68.238 1.00 29.99 ? CB CYS 254 A 1 +ATOM 1911 S SG CYS 254 . . A 1 -18.232 49.996 68.077 1.00 22.76 ? SG CYS 254 A 1 +ATOM 1912 N N ASN 255 . . A 1 -19.809 45.776 68.607 1.00 40.92 ? N ASN 255 A 1 +ATOM 1913 C CA ASN 255 . . A 1 -19.980 44.344 68.396 1.00 40.55 ? CA ASN 255 A 1 +ATOM 1914 C C ASN 255 . . A 1 -18.837 43.974 67.487 1.00 39.35 ? C ASN 255 A 1 +ATOM 1915 O O ASN 255 . . A 1 -18.743 44.576 66.427 1.00 38.2 ? O ASN 255 A 1 +ATOM 1916 C CB ASN 255 . . A 1 -21.341 44.116 67.707 1.00 42.22 ? CB ASN 255 A 1 +ATOM 1917 C CG ASN 255 . . A 1 -21.585 42.672 67.309 1.00 42.69 ? CG ASN 255 A 1 +ATOM 1918 O OD1 ASN 255 . . A 1 -20.725 41.998 66.773 1.00 44.86 ? OD1 ASN 255 A 1 +ATOM 1919 N ND2 ASN 255 . . A 1 -22.792 42.190 67.567 1.00 44.25 ? ND2 ASN 255 A 1 +ATOM 1920 N N LEU 256 . . A 1 -17.980 43.038 67.899 1.00 39.51 ? N LEU 256 A 1 +ATOM 1921 C CA LEU 256 . . A 1 -16.841 42.692 67.051 1.00 42.33 ? CA LEU 256 A 1 +ATOM 1922 C C LEU 256 . . A 1 -16.977 41.364 66.324 1.00 44.21 ? C LEU 256 A 1 +ATOM 1923 O O LEU 256 . . A 1 -15.986 40.706 66.026 1.00 47.32 ? O LEU 256 A 1 +ATOM 1924 C CB LEU 256 . . A 1 -15.527 42.636 67.853 1.00 43.59 ? CB LEU 256 A 1 +ATOM 1925 C CG LEU 256 . . A 1 -15.167 43.899 68.662 1.00 47.1 ? CG LEU 256 A 1 +ATOM 1926 C CD1 LEU 256 . . A 1 -15.667 43.837 70.112 1.00 50.25 ? CD1 LEU 256 A 1 +ATOM 1927 C CD2 LEU 256 . . A 1 -13.648 44.085 68.684 1.00 49.35 ? CD2 LEU 256 A 1 +ATOM 1928 N N ASN 257 . . A 1 -18.209 40.954 66.040 1.00 44.93 ? N ASN 257 A 1 +ATOM 1929 C CA ASN 257 . . A 1 -18.446 39.689 65.349 1.00 45.58 ? CA ASN 257 A 1 +ATOM 1930 C C ASN 257 . . A 1 -18.190 39.770 63.848 1.00 45.23 ? C ASN 257 A 1 +ATOM 1931 O O ASN 257 . . A 1 -18.074 38.772 63.153 1.00 44.48 ? O ASN 257 A 1 +ATOM 1932 C CB ASN 257 . . A 1 -19.885 39.220 65.621 1.00 47.18 ? CB ASN 257 A 1 +ATOM 1933 N N SER 258 . . A 1 -18.108 40.983 63.317 1.00 47.53 ? N SER 258 A 1 +ATOM 1934 C CA SER 258 . . A 1 -17.875 41.086 61.879 1.00 46.62 ? CA SER 258 A 1 +ATOM 1935 C C SER 258 . . A 1 -17.447 42.492 61.525 1.00 45.93 ? C SER 258 A 1 +ATOM 1936 O O SER 258 . . A 1 -17.716 43.454 62.239 1.00 45.45 ? O SER 258 A 1 +ATOM 1937 C CB SER 258 . . A 1 -19.177 40.743 61.130 1.00 48.28 ? CB SER 258 A 1 +ATOM 1938 O OG SER 258 . . A 1 -20.272 41.439 61.741 1.00 49.1 ? OG SER 258 A 1 +ATOM 1939 N N ASP 259 . . A 1 -16.807 42.611 60.356 1.00 43.15 ? N ASP 259 A 1 +ATOM 1940 C CA ASP 259 . . A 1 -16.392 43.960 59.967 1.00 39.16 ? CA ASP 259 A 1 +ATOM 1941 C C ASP 259 . . A 1 -17.603 44.839 59.743 1.00 36.02 ? C ASP 259 A 1 +ATOM 1942 O O ASP 259 . . A 1 -17.582 46.030 59.962 1.00 34.56 ? O ASP 259 A 1 +ATOM 1943 C CB ASP 259 . . A 1 -15.510 44.013 58.702 1.00 37.85 ? CB ASP 259 A 1 +ATOM 1944 C CG ASP 259 . . A 1 -14.228 43.207 58.821 1.00 39.63 ? CG ASP 259 A 1 +ATOM 1945 O OD1 ASP 259 . . A 1 -13.947 42.697 59.903 1.00 42.63 ? OD1 ASP 259 A 1 +ATOM 1946 O OD2 ASP 259 . . A 1 -13.511 43.092 57.827 1.00 40.96 ? OD2 ASP 259 A 1 +ATOM 1947 N N GLU 260 . . A 1 -18.687 44.211 59.313 1.00 34.31 ? N GLU 260 A 1 +ATOM 1948 C CA GLU 260 . . A 1 -19.893 44.978 59.060 1.00 34.44 ? CA GLU 260 A 1 +ATOM 1949 C C GLU 260 . . A 1 -20.438 45.628 60.310 1.00 34.84 ? C GLU 260 A 1 +ATOM 1950 O O GLU 260 . . A 1 -20.857 46.782 60.338 1.00 32.9 ? O GLU 260 A 1 +ATOM 1951 C CB GLU 260 . . A 1 -20.997 44.034 58.553 1.00 35.01 ? CB GLU 260 A 1 +ATOM 1952 N N GLU 261 . . A 1 -20.432 44.797 61.367 1.00 34.19 ? N GLU 261 A 1 +ATOM 1953 C CA GLU 261 . . A 1 -20.950 45.244 62.649 1.00 32 ? CA GLU 261 A 1 +ATOM 1954 C C GLU 261 . . A 1 -20.023 46.281 63.250 1.00 31.67 ? C GLU 261 A 1 +ATOM 1955 O O GLU 261 . . A 1 -20.417 47.345 63.730 1.00 31.79 ? O GLU 261 A 1 +ATOM 1956 C CB GLU 261 . . A 1 -21.191 44.038 63.594 1.00 35.52 ? CB GLU 261 A 1 +ATOM 1957 C CG GLU 261 . . A 1 -22.578 43.336 63.399 1.00 32.88 ? CG GLU 261 A 1 +ATOM 1958 N N LEU 262 . . A 1 -18.747 45.931 63.201 1.00 27.26 ? N LEU 262 A 1 +ATOM 1959 C CA LEU 262 . . A 1 -17.738 46.803 63.731 1.00 23.27 ? CA LEU 262 A 1 +ATOM 1960 C C LEU 262 . . A 1 -17.801 48.161 63.070 1.00 25.58 ? C LEU 262 A 1 +ATOM 1961 O O LEU 262 . . A 1 -17.867 49.203 63.706 1.00 29.63 ? O LEU 262 A 1 +ATOM 1962 C CB LEU 262 . . A 1 -16.390 46.126 63.490 1.00 23.67 ? CB LEU 262 A 1 +ATOM 1963 C CG LEU 262 . . A 1 -15.172 46.989 63.827 1.00 24.34 ? CG LEU 262 A 1 +ATOM 1964 C CD1 LEU 262 . . A 1 -15.243 47.536 65.250 1.00 31.17 ? CD1 LEU 262 A 1 +ATOM 1965 C CD2 LEU 262 . . A 1 -13.881 46.193 63.629 1.00 25.63 ? CD2 LEU 262 A 1 +ATOM 1966 N N ILE 263 . . A 1 -17.818 48.130 61.749 1.00 25.88 ? N ILE 263 A 1 +ATOM 1967 C CA ILE 263 . . A 1 -17.847 49.358 60.975 1.00 28.49 ? CA ILE 263 A 1 +ATOM 1968 C C ILE 263 . . A 1 -19.124 50.128 61.189 1.00 31.31 ? C ILE 263 A 1 +ATOM 1969 O O ILE 263 . . A 1 -19.069 51.329 61.404 1.00 33.92 ? O ILE 263 A 1 +ATOM 1970 C CB ILE 263 . . A 1 -17.535 49.065 59.487 1.00 24.74 ? CB ILE 263 A 1 +ATOM 1971 C CG1 ILE 263 . . A 1 -16.059 48.644 59.363 1.00 22.96 ? CG1 ILE 263 A 1 +ATOM 1972 C CG2 ILE 263 . . A 1 -17.839 50.236 58.544 1.00 19.49 ? CG2 ILE 263 A 1 +ATOM 1973 C CD1 ILE 263 . . A 1 -15.716 48.015 58.015 1.00 19.48 ? CD1 ILE 263 A 1 +ATOM 1974 N N HIS 264 . . A 1 -20.278 49.455 61.149 1.00 33.61 ? N HIS 264 A 1 +ATOM 1975 C CA HIS 264 . . A 1 -21.518 50.205 61.354 1.00 38.39 ? CA HIS 264 A 1 +ATOM 1976 C C HIS 264 . . A 1 -21.444 50.922 62.677 1.00 37.97 ? C HIS 264 A 1 +ATOM 1977 O O HIS 264 . . A 1 -21.759 52.098 62.833 1.00 40.86 ? O HIS 264 A 1 +ATOM 1978 C CB HIS 264 . . A 1 -22.772 49.289 61.292 1.00 48.98 ? CB HIS 264 A 1 +ATOM 1979 C CG HIS 264 . . A 1 -23.998 49.912 61.975 1.00 61.06 ? CG HIS 264 A 1 +ATOM 1980 N ND1 HIS 264 . . A 1 -24.607 51.064 61.597 1.00 64.46 ? ND1 HIS 264 A 1 +ATOM 1981 C CD2 HIS 264 . . A 1 -24.674 49.438 63.133 1.00 65.12 ? CD2 HIS 264 A 1 +ATOM 1982 C CE1 HIS 264 . . A 1 -25.606 51.285 62.475 1.00 66.51 ? CE1 HIS 264 A 1 +ATOM 1983 N NE2 HIS 264 . . A 1 -25.661 50.319 63.410 1.00 67.54 ? NE2 HIS 264 A 1 +ATOM 1984 N N CYS 265 . . A 1 -20.976 50.147 63.640 1.00 32.83 ? N CYS 265 A 1 +ATOM 1985 C CA CYS 265 . . A 1 -20.856 50.683 64.969 1.00 29.03 ? CA CYS 265 A 1 +ATOM 1986 C C CYS 265 . . A 1 -20.017 51.947 64.991 1.00 27.28 ? C CYS 265 A 1 +ATOM 1987 O O CYS 265 . . A 1 -20.428 53.001 65.464 1.00 30.45 ? O CYS 265 A 1 +ATOM 1988 C CB CYS 265 . . A 1 -20.271 49.584 65.840 1.00 29.44 ? CB CYS 265 A 1 +ATOM 1989 S SG CYS 265 . . A 1 -20.203 50.034 67.584 1.00 30.11 ? SG CYS 265 A 1 +ATOM 1990 N N LEU 266 . . A 1 -18.829 51.837 64.402 1.00 22.45 ? N LEU 266 A 1 +ATOM 1991 C CA LEU 266 . . A 1 -17.952 52.988 64.390 1.00 20.17 ? CA LEU 266 A 1 +ATOM 1992 C C LEU 266 . . A 1 -18.529 54.142 63.596 1.00 21.08 ? C LEU 266 A 1 +ATOM 1993 O O LEU 266 . . A 1 -18.179 55.288 63.818 1.00 22.26 ? O LEU 266 A 1 +ATOM 1994 C CB LEU 266 . . A 1 -16.566 52.593 63.860 1.00 13.8 ? CB LEU 266 A 1 +ATOM 1995 C CG LEU 266 . . A 1 -15.856 51.541 64.743 1.00 9.35 ? CG LEU 266 A 1 +ATOM 1996 C CD1 LEU 266 . . A 1 -14.740 50.835 63.993 1.00 6.6 ? CD1 LEU 266 A 1 +ATOM 1997 C CD2 LEU 266 . . A 1 -15.281 52.153 66.026 1.00 11.99 ? CD2 LEU 266 A 1 +ATOM 1998 N N ARG 267 . . A 1 -19.415 53.842 62.651 1.00 25.36 ? N ARG 267 A 1 +ATOM 1999 C CA ARG 267 . . A 1 -19.995 54.917 61.850 1.00 28.09 ? CA ARG 267 A 1 +ATOM 2000 C C ARG 267 . . A 1 -21.064 55.661 62.610 1.00 29 ? C ARG 267 A 1 +ATOM 2001 O O ARG 267 . . A 1 -21.477 56.728 62.177 1.00 30.66 ? O ARG 267 A 1 +ATOM 2002 C CB ARG 267 . . A 1 -20.549 54.436 60.474 1.00 29.47 ? CB ARG 267 A 1 +ATOM 2003 C CG ARG 267 . . A 1 -19.486 53.801 59.531 1.00 29.74 ? CG ARG 267 A 1 +ATOM 2004 C CD ARG 267 . . A 1 -19.493 54.271 58.048 1.00 31.57 ? CD ARG 267 A 1 +ATOM 2005 N NE ARG 267 . . A 1 -20.047 53.252 57.148 1.00 29.99 ? NE ARG 267 A 1 +ATOM 2006 C CZ ARG 267 . . A 1 -19.349 52.606 56.184 1.00 29.62 ? CZ ARG 267 A 1 +ATOM 2007 N NH1 ARG 267 . . A 1 -18.071 52.858 55.912 1.00 21.41 ? NH1 ARG 267 A 1 +ATOM 2008 N NH2 ARG 267 . . A 1 -19.958 51.667 55.468 1.00 32.91 ? NH2 ARG 267 A 1 +ATOM 2009 N N GLU 268 . . A 1 -21.536 55.071 63.718 1.00 30.51 ? N GLU 268 A 1 +ATOM 2010 C CA GLU 268 . . A 1 -22.578 55.737 64.515 1.00 31.71 ? CA GLU 268 A 1 +ATOM 2011 C C GLU 268 . . A 1 -21.981 56.554 65.625 1.00 32.42 ? C GLU 268 A 1 +ATOM 2012 O O GLU 268 . . A 1 -22.645 57.400 66.212 1.00 36.23 ? O GLU 268 A 1 +ATOM 2013 C CB GLU 268 . . A 1 -23.553 54.751 65.201 1.00 32.99 ? CB GLU 268 A 1 +ATOM 2014 C CG GLU 268 . . A 1 -24.478 53.994 64.216 1.00 40.92 ? CG GLU 268 A 1 +ATOM 2015 N N LYS 269 . . A 1 -20.727 56.248 65.966 1.00 30.23 ? N LYS 269 A 1 +ATOM 2016 C CA LYS 269 . . A 1 -20.136 57.002 67.048 1.00 28.67 ? CA LYS 269 A 1 +ATOM 2017 C C LYS 269 . . A 1 -19.852 58.419 66.608 1.00 27.17 ? C LYS 269 A 1 +ATOM 2018 O O LYS 269 . . A 1 -19.518 58.714 65.474 1.00 28.28 ? O LYS 269 A 1 +ATOM 2019 C CB LYS 269 . . A 1 -18.853 56.308 67.490 1.00 31.35 ? CB LYS 269 A 1 +ATOM 2020 C CG LYS 269 . . A 1 -19.103 54.880 67.994 1.00 35.61 ? CG LYS 269 A 1 +ATOM 2021 C CD LYS 269 . . A 1 -19.619 54.834 69.447 1.00 42.51 ? CD LYS 269 A 1 +ATOM 2022 C CE LYS 269 . . A 1 -19.981 53.407 69.892 1.00 46.28 ? CE LYS 269 A 1 +ATOM 2023 N NZ LYS 269 . . A 1 -21.133 52.934 69.153 1.00 51.59 ? NZ LYS 269 A 1 +ATOM 2024 N N LYS 270 . . A 1 -19.979 59.330 67.561 1.00 25.86 ? N LYS 270 A 1 +ATOM 2025 C CA LYS 270 . . A 1 -19.709 60.724 67.236 1.00 25.82 ? CA LYS 270 A 1 +ATOM 2026 C C LYS 270 . . A 1 -18.202 60.845 67.060 1.00 25.56 ? C LYS 270 A 1 +ATOM 2027 O O LYS 270 . . A 1 -17.471 60.112 67.724 1.00 28.89 ? O LYS 270 A 1 +ATOM 2028 C CB LYS 270 . . A 1 -20.179 61.623 68.394 1.00 29.72 ? CB LYS 270 A 1 +ATOM 2029 C CG LYS 270 . . A 1 -21.486 61.133 69.055 1.00 34.57 ? CG LYS 270 A 1 +ATOM 2030 N N PRO 271 . . A 1 -17.728 61.788 66.223 1.00 21.99 ? N PRO 271 A 1 +ATOM 2031 C CA PRO 271 . . A 1 -16.312 61.825 65.882 1.00 19.77 ? CA PRO 271 A 1 +ATOM 2032 C C PRO 271 . . A 1 -15.406 61.873 67.097 1.00 19.51 ? C PRO 271 A 1 +ATOM 2033 O O PRO 271 . . A 1 -14.427 61.145 67.208 1.00 18.77 ? O PRO 271 A 1 +ATOM 2034 C CB PRO 271 . . A 1 -16.150 63.032 64.951 1.00 17.86 ? CB PRO 271 A 1 +ATOM 2035 C CG PRO 271 . . A 1 -17.502 63.772 64.960 1.00 19.7 ? CG PRO 271 A 1 +ATOM 2036 C CD PRO 271 . . A 1 -18.527 62.824 65.588 1.00 21.39 ? CD PRO 271 A 1 +ATOM 2037 N N GLN 272 . . A 1 -15.781 62.747 68.045 1.00 20.44 ? N GLN 272 A 1 +ATOM 2038 C CA GLN 272 . . A 1 -14.959 62.861 69.255 1.00 20.29 ? CA GLN 272 A 1 +ATOM 2039 C C GLN 272 . . A 1 -14.813 61.567 70.024 1.00 16.35 ? C GLN 272 A 1 +ATOM 2040 O O GLN 272 . . A 1 -13.796 61.346 70.659 1.00 14.98 ? O GLN 272 A 1 +ATOM 2041 C CB GLN 272 . . A 1 -15.424 63.988 70.206 1.00 25.23 ? CB GLN 272 A 1 +ATOM 2042 C CG GLN 272 . . A 1 -14.716 65.336 69.967 1.00 35.78 ? CG GLN 272 A 1 +ATOM 2043 C CD GLN 272 . . A 1 -13.264 65.246 70.428 1.00 40.78 ? CD GLN 272 A 1 +ATOM 2044 O OE1 GLN 272 . . A 1 -12.922 64.449 71.287 1.00 41.42 ? OE1 GLN 272 A 1 +ATOM 2045 N NE2 GLN 272 . . A 1 -12.403 66.076 69.832 1.00 43.62 ? NE2 GLN 272 A 1 +ATOM 2046 N N GLU 273 . . A 1 -15.814 60.683 69.974 1.00 15.06 ? N GLU 273 A 1 +ATOM 2047 C CA GLU 273 . . A 1 -15.616 59.448 70.732 1.00 16.59 ? CA GLU 273 A 1 +ATOM 2048 C C GLU 273 . . A 1 -14.449 58.688 70.170 1.00 17.35 ? C GLU 273 A 1 +ATOM 2049 O O GLU 273 . . A 1 -13.670 58.105 70.916 1.00 18.34 ? O GLU 273 A 1 +ATOM 2050 C CB GLU 273 . . A 1 -16.839 58.526 70.737 1.00 19.35 ? CB GLU 273 A 1 +ATOM 2051 C CG GLU 273 . . A 1 -17.982 59.089 71.591 1.00 26.28 ? CG GLU 273 A 1 +ATOM 2052 C CD GLU 273 . . A 1 -19.280 58.340 71.341 1.00 32.07 ? CD GLU 273 A 1 +ATOM 2053 O OE1 GLU 273 . . A 1 -19.991 58.685 70.392 1.00 31.44 ? OE1 GLU 273 A 1 +ATOM 2054 O OE2 GLU 273 . . A 1 -19.578 57.420 72.102 1.00 35.54 ? OE2 GLU 273 A 1 +ATOM 2055 N N LEU 274 . . A 1 -14.342 58.737 68.832 1.00 17.24 ? N LEU 274 A 1 +ATOM 2056 C CA LEU 274 . . A 1 -13.243 58.017 68.201 1.00 16.07 ? CA LEU 274 A 1 +ATOM 2057 C C LEU 274 . . A 1 -11.927 58.632 68.622 1.00 12.97 ? C LEU 274 A 1 +ATOM 2058 O O LEU 274 . . A 1 -10.984 57.957 69.004 1.00 16.28 ? O LEU 274 A 1 +ATOM 2059 C CB LEU 274 . . A 1 -13.388 57.989 66.664 1.00 19.09 ? CB LEU 274 A 1 +ATOM 2060 C CG LEU 274 . . A 1 -14.568 57.105 66.157 1.00 21.29 ? CG LEU 274 A 1 +ATOM 2061 C CD1 LEU 274 . . A 1 -15.439 57.817 65.127 1.00 18.9 ? CD1 LEU 274 A 1 +ATOM 2062 C CD2 LEU 274 . . A 1 -14.099 55.763 65.575 1.00 19.75 ? CD2 LEU 274 A 1 +ATOM 2063 N N ILE 275 . . A 1 -11.874 59.954 68.582 1.00 9.96 ? N ILE 275 A 1 +ATOM 2064 C CA ILE 275 . . A 1 -10.621 60.576 68.970 1.00 9.89 ? CA ILE 275 A 1 +ATOM 2065 C C ILE 275 . . A 1 -10.229 60.260 70.403 1.00 13.55 ? C ILE 275 A 1 +ATOM 2066 O O ILE 275 . . A 1 -9.072 59.954 70.664 1.00 17.07 ? O ILE 275 A 1 +ATOM 2067 C CB ILE 275 . . A 1 -10.652 62.094 68.769 1.00 11.57 ? CB ILE 275 A 1 +ATOM 2068 C CG1 ILE 275 . . A 1 -11.319 62.423 67.420 1.00 2.17 ? CG1 ILE 275 A 1 +ATOM 2069 C CG2 ILE 275 . . A 1 -9.236 62.708 68.908 1.00 9.05 ? CG2 ILE 275 A 1 +ATOM 2070 C CD1 ILE 275 . . A 1 -11.178 63.888 67.037 1.00 6.35 ? CD1 ILE 275 A 1 +ATOM 2071 N N ASP 276 . . A 1 -11.214 60.323 71.312 1.00 13.66 ? N ASP 276 A 1 +ATOM 2072 C CA ASP 276 . . A 1 -10.967 60.055 72.736 1.00 9.99 ? CA ASP 276 A 1 +ATOM 2073 C C ASP 276 . . A 1 -10.209 58.755 72.987 1.00 9.78 ? C ASP 276 A 1 +ATOM 2074 O O ASP 276 . . A 1 -9.256 58.728 73.749 1.00 15.86 ? O ASP 276 A 1 +ATOM 2075 C CB ASP 276 . . A 1 -12.268 60.066 73.579 1.00 6.67 ? CB ASP 276 A 1 +ATOM 2076 C CG ASP 276 . . A 1 -12.935 61.437 73.832 1.00 13.34 ? CG ASP 276 A 1 +ATOM 2077 O OD1 ASP 276 . . A 1 -12.247 62.466 73.816 1.00 11.05 ? OD1 ASP 276 A 1 +ATOM 2078 O OD2 ASP 276 . . A 1 -14.149 61.465 74.080 1.00 12.5 ? OD2 ASP 276 A 1 +ATOM 2079 N N VAL 277 . . A 1 -10.607 57.654 72.345 1.00 10.57 ? N VAL 277 A 1 +ATOM 2080 C CA VAL 277 . . A 1 -9.861 56.422 72.639 1.00 11.18 ? CA VAL 277 A 1 +ATOM 2081 C C VAL 277 . . A 1 -8.818 56.096 71.598 1.00 9.73 ? C VAL 277 A 1 +ATOM 2082 O O VAL 277 . . A 1 -8.168 55.065 71.658 1.00 6.66 ? O VAL 277 A 1 +ATOM 2083 C CB VAL 277 . . A 1 -10.844 55.258 72.819 1.00 12 ? CB VAL 277 A 1 +ATOM 2084 C CG1 VAL 277 . . A 1 -11.716 55.499 74.059 1.00 14.32 ? CG1 VAL 277 A 1 +ATOM 2085 C CG2 VAL 277 . . A 1 -11.750 55.051 71.604 1.00 14.63 ? CG2 VAL 277 A 1 +ATOM 2086 N N GLU 278 . . A 1 -8.644 56.991 70.636 1.00 13.19 ? N GLU 278 A 1 +ATOM 2087 C CA GLU 278 . . A 1 -7.692 56.760 69.568 1.00 15.23 ? CA GLU 278 A 1 +ATOM 2088 C C GLU 278 . . A 1 -6.290 56.328 70.024 1.00 17.91 ? C GLU 278 A 1 +ATOM 2089 O O GLU 278 . . A 1 -5.709 55.380 69.506 1.00 17.63 ? O GLU 278 A 1 +ATOM 2090 C CB GLU 278 . . A 1 -7.666 58.018 68.686 1.00 14.05 ? CB GLU 278 A 1 +ATOM 2091 C CG GLU 278 . . A 1 -6.897 57.868 67.363 1.00 22.36 ? CG GLU 278 A 1 +ATOM 2092 C CD GLU 278 . . A 1 -6.148 59.113 66.886 1.00 24.06 ? CD GLU 278 A 1 +ATOM 2093 O OE1 GLU 278 . . A 1 -6.613 60.233 67.110 1.00 17.72 ? OE1 GLU 278 A 1 +ATOM 2094 O OE2 GLU 278 . . A 1 -5.080 58.936 66.290 1.00 29.64 ? OE2 GLU 278 A 1 +ATOM 2095 N N TRP 279 . . A 1 -5.748 56.995 71.039 1.00 19.53 ? N TRP 279 A 1 +ATOM 2096 C CA TRP 279 . . A 1 -4.375 56.663 71.456 1.00 23.58 ? CA TRP 279 A 1 +ATOM 2097 C C TRP 279 . . A 1 -4.326 55.378 72.305 1.00 21.75 ? C TRP 279 A 1 +ATOM 2098 O O TRP 279 . . A 1 -3.270 54.887 72.685 1.00 20.15 ? O TRP 279 A 1 +ATOM 2099 C CB TRP 279 . . A 1 -3.626 57.911 72.073 1.00 27.83 ? CB TRP 279 A 1 +ATOM 2100 C CG TRP 279 . . A 1 -3.609 59.185 71.180 1.00 45.87 ? CG TRP 279 A 1 +ATOM 2101 C CD1 TRP 279 . . A 1 -4.600 59.611 70.245 1.00 51.14 ? CD1 TRP 279 A 1 +ATOM 2102 C CD2 TRP 279 . . A 1 -2.638 60.215 71.124 1.00 51.75 ? CD2 TRP 279 A 1 +ATOM 2103 N NE1 TRP 279 . . A 1 -4.320 60.787 69.652 1.00 49.73 ? NE1 TRP 279 A 1 +ATOM 2104 C CE2 TRP 279 . . A 1 -3.129 61.217 70.139 1.00 49.88 ? CE2 TRP 279 A 1 +ATOM 2105 C CE3 TRP 279 . . A 1 -1.396 60.443 71.739 1.00 58.48 ? CE3 TRP 279 A 1 +ATOM 2106 C CZ2 TRP 279 . . A 1 -2.355 62.344 69.845 1.00 52.53 ? CZ2 TRP 279 A 1 +ATOM 2107 C CZ3 TRP 279 . . A 1 -0.651 61.593 71.411 1.00 56.28 ? CZ3 TRP 279 A 1 +ATOM 2108 C CH2 TRP 279 . . A 1 -1.121 62.532 70.477 1.00 54.43 ? CH2 TRP 279 A 1 +ATOM 2109 N N ASN 280 . . A 1 -5.489 54.797 72.608 1.00 20.31 ? N ASN 280 A 1 +ATOM 2110 C CA ASN 280 . . A 1 -5.433 53.582 73.429 1.00 20.08 ? CA ASN 280 A 1 +ATOM 2111 C C ASN 280 . . A 1 -5.039 52.341 72.694 1.00 22.62 ? C ASN 280 A 1 +ATOM 2112 O O ASN 280 . . A 1 -4.460 51.425 73.248 1.00 26.63 ? O ASN 280 A 1 +ATOM 2113 C CB ASN 280 . . A 1 -6.789 53.199 74.043 1.00 20.19 ? CB ASN 280 A 1 +ATOM 2114 C CG ASN 280 . . A 1 -7.137 54.098 75.195 1.00 24.84 ? CG ASN 280 A 1 +ATOM 2115 O OD1 ASN 280 . . A 1 -6.304 54.823 75.717 1.00 25.2 ? OD1 ASN 280 A 1 +ATOM 2116 N ND2 ASN 280 . . A 1 -8.397 54.069 75.590 1.00 28.34 ? ND2 ASN 280 A 1 +ATOM 2117 N N VAL 281 . . A 1 -5.380 52.275 71.420 1.00 25.56 ? N VAL 281 A 1 +ATOM 2118 C CA VAL 281 . . A 1 -5.062 51.042 70.707 1.00 24.42 ? CA VAL 281 A 1 +ATOM 2119 C C VAL 281 . . A 1 -3.599 50.711 70.393 1.00 22.95 ? C VAL 281 A 1 +ATOM 2120 O O VAL 281 . . A 1 -3.372 49.647 69.821 1.00 24.23 ? O VAL 281 A 1 +ATOM 2121 C CB VAL 281 . . A 1 -5.906 51.000 69.425 1.00 25.83 ? CB VAL 281 A 1 +ATOM 2122 C CG1 VAL 281 . . A 1 -7.411 51.111 69.722 1.00 27.99 ? CG1 VAL 281 A 1 +ATOM 2123 C CG2 VAL 281 . . A 1 -5.501 52.081 68.401 1.00 30.18 ? CG2 VAL 281 A 1 +ATOM 2124 N N LEU 282 . . A 1 -2.624 51.588 70.698 1.00 20.87 ? N LEU 282 A 1 +ATOM 2125 C CA LEU 282 . . A 1 -1.259 51.173 70.351 1.00 23 ? CA LEU 282 A 1 +ATOM 2126 C C LEU 282 . . A 1 -0.893 49.880 71.054 1.00 27.86 ? C LEU 282 A 1 +ATOM 2127 O O LEU 282 . . A 1 -1.344 49.607 72.150 1.00 32.56 ? O LEU 282 A 1 +ATOM 2128 C CB LEU 282 . . A 1 -0.159 52.178 70.739 1.00 21.55 ? CB LEU 282 A 1 +ATOM 2129 C CG LEU 282 . . A 1 -0.144 53.460 69.926 1.00 18.06 ? CG LEU 282 A 1 +ATOM 2130 C CD1 LEU 282 . . A 1 0.864 54.445 70.504 1.00 16.8 ? CD1 LEU 282 A 1 +ATOM 2131 C CD2 LEU 282 . . A 1 0.197 53.174 68.463 1.00 26.92 ? CD2 LEU 282 A 1 +ATOM 2132 N N PRO 283 . . A 1 -0.024 49.098 70.427 1.00 30.7 ? N PRO 283 A 1 +ATOM 2133 C CA PRO 283 . . A 1 0.402 47.861 71.049 1.00 32.14 ? CA PRO 283 A 1 +ATOM 2134 C C PRO 283 . . A 1 1.517 48.007 72.090 1.00 33.95 ? C PRO 283 A 1 +ATOM 2135 O O PRO 283 . . A 1 1.919 47.011 72.680 1.00 36.67 ? O PRO 283 A 1 +ATOM 2136 C CB PRO 283 . . A 1 0.991 47.076 69.875 1.00 30.98 ? CB PRO 283 A 1 +ATOM 2137 C CG PRO 283 . . A 1 1.456 48.150 68.884 1.00 33.78 ? CG PRO 283 A 1 +ATOM 2138 C CD PRO 283 . . A 1 0.527 49.340 69.104 1.00 32 ? CD PRO 283 A 1 +ATOM 2139 N N PHE 284 . . A 1 2.073 49.210 72.301 1.00 33.22 ? N PHE 284 A 1 +ATOM 2140 C CA PHE 284 . . A 1 3.173 49.257 73.275 1.00 33.7 ? CA PHE 284 A 1 +ATOM 2141 C C PHE 284 . . A 1 3.401 50.664 73.784 1.00 31.26 ? C PHE 284 A 1 +ATOM 2142 O O PHE 284 . . A 1 2.904 51.640 73.250 1.00 35.29 ? O PHE 284 A 1 +ATOM 2143 C CB PHE 284 . . A 1 4.480 48.725 72.623 1.00 37.6 ? CB PHE 284 A 1 +ATOM 2144 C CG PHE 284 . . A 1 4.800 49.364 71.288 1.00 35.44 ? CG PHE 284 A 1 +ATOM 2145 N N ASP 285 . . A 1 4.190 50.780 74.844 1.00 27.46 ? N ASP 285 A 1 +ATOM 2146 C CA ASP 285 . . A 1 4.458 52.113 75.370 1.00 27.08 ? CA ASP 285 A 1 +ATOM 2147 C C ASP 285 . . A 1 5.465 52.645 74.399 1.00 24.63 ? C ASP 285 A 1 +ATOM 2148 O O ASP 285 . . A 1 6.459 51.963 74.202 1.00 23.44 ? O ASP 285 A 1 +ATOM 2149 C CB ASP 285 . . A 1 5.088 52.010 76.783 1.00 32.77 ? CB ASP 285 A 1 +ATOM 2150 C CG ASP 285 . . A 1 4.963 53.250 77.680 1.00 36.82 ? CG ASP 285 A 1 +ATOM 2151 O OD1 ASP 285 . . A 1 4.601 54.334 77.200 1.00 41.07 ? OD1 ASP 285 A 1 +ATOM 2152 O OD2 ASP 285 . . A 1 5.201 53.110 78.885 1.00 39.75 ? OD2 ASP 285 A 1 +ATOM 2153 N N SER 286 . . A 1 5.244 53.807 73.796 1.00 22.2 ? N SER 286 A 1 +ATOM 2154 C CA SER 286 . . A 1 6.287 54.187 72.865 1.00 20.31 ? CA SER 286 A 1 +ATOM 2155 C C SER 286 . . A 1 6.190 55.639 72.579 1.00 20.85 ? C SER 286 A 1 +ATOM 2156 O O SER 286 . . A 1 5.215 56.291 72.907 1.00 25.15 ? O SER 286 A 1 +ATOM 2157 C CB SER 286 . . A 1 6.124 53.397 71.571 1.00 22.04 ? CB SER 286 A 1 +ATOM 2158 N N ILE 287 . . A 1 7.231 56.149 71.957 1.00 20.58 ? N ILE 287 A 1 +ATOM 2159 C CA ILE 287 . . A 1 7.316 57.542 71.600 1.00 18.81 ? CA ILE 287 A 1 +ATOM 2160 C C ILE 287 . . A 1 7.566 57.539 70.101 1.00 23.59 ? C ILE 287 A 1 +ATOM 2161 O O ILE 287 . . A 1 8.253 56.669 69.584 1.00 23.54 ? O ILE 287 A 1 +ATOM 2162 C CB ILE 287 . . A 1 8.386 58.168 72.526 1.00 19.4 ? CB ILE 287 A 1 +ATOM 2163 C CG1 ILE 287 . . A 1 7.674 58.758 73.738 1.00 26.33 ? CG1 ILE 287 A 1 +ATOM 2164 C CG2 ILE 287 . . A 1 9.381 59.180 71.969 1.00 12.5 ? CG2 ILE 287 A 1 +ATOM 2165 C CD1 ILE 287 . . A 1 6.783 59.964 73.388 1.00 37.57 ? CD1 ILE 287 A 1 +ATOM 2166 N N PHE 288 . . A 1 6.980 58.527 69.409 1.00 22.61 ? N PHE 288 A 1 +ATOM 2167 C CA PHE 288 . . A 1 7.142 58.613 67.965 1.00 18.77 ? CA PHE 288 A 1 +ATOM 2168 C C PHE 288 . . A 1 6.488 57.438 67.263 1.00 17.49 ? C PHE 288 A 1 +ATOM 2169 O O PHE 288 . . A 1 7.068 56.848 66.366 1.00 18.77 ? O PHE 288 A 1 +ATOM 2170 C CB PHE 288 . . A 1 8.626 58.732 67.524 1.00 18.74 ? CB PHE 288 A 1 +ATOM 2171 C CG PHE 288 . . A 1 8.842 59.709 66.391 1.00 20.03 ? CG PHE 288 A 1 +ATOM 2172 C CD1 PHE 288 . . A 1 7.959 59.770 65.297 1.00 18.55 ? CD1 PHE 288 A 1 +ATOM 2173 C CD2 PHE 288 . . A 1 9.937 60.591 66.439 1.00 20.66 ? CD2 PHE 288 A 1 +ATOM 2174 C CE1 PHE 288 . . A 1 8.162 60.724 64.286 1.00 21.85 ? CE1 PHE 288 A 1 +ATOM 2175 C CE2 PHE 288 . . A 1 10.152 61.527 65.417 1.00 18.68 ? CE2 PHE 288 A 1 +ATOM 2176 C CZ PHE 288 . . A 1 9.258 61.601 64.342 1.00 18.73 ? CZ PHE 288 A 1 +ATOM 2177 N N ARG 289 . . A 1 5.281 57.080 67.706 1.00 13.71 ? N ARG 289 A 1 +ATOM 2178 C CA ARG 289 . . A 1 4.589 55.990 67.040 1.00 10.97 ? CA ARG 289 A 1 +ATOM 2179 C C ARG 289 . . A 1 3.133 56.446 67.008 1.00 13.17 ? C ARG 289 A 1 +ATOM 2180 O O ARG 289 . . A 1 2.672 57.044 67.976 1.00 15.46 ? O ARG 289 A 1 +ATOM 2181 C CB ARG 289 . . A 1 4.870 54.676 67.752 1.00 7.32 ? CB ARG 289 A 1 +ATOM 2182 C CG ARG 289 . . A 1 5.166 53.550 66.761 1.00 10.17 ? CG ARG 289 A 1 +ATOM 2183 C CD ARG 289 . . A 1 6.592 52.986 66.804 1.00 8.16 ? CD ARG 289 A 1 +ATOM 2184 N NE ARG 289 . . A 1 7.610 53.993 66.528 1.00 6.44 ? NE ARG 289 A 1 +ATOM 2185 C CZ ARG 289 . . A 1 8.888 53.619 66.311 1.00 7.3 ? CZ ARG 289 A 1 +ATOM 2186 N NH1 ARG 289 . . A 1 9.265 52.332 66.314 1.00 9.32 ? NH1 ARG 289 A 1 +ATOM 2187 N NH2 ARG 289 . . A 1 9.799 54.549 66.100 1.00 2 ? NH2 ARG 289 A 1 +ATOM 2188 N N PHE 290 . . A 1 2.423 56.202 65.890 1.00 13.8 ? N PHE 290 A 1 +ATOM 2189 C CA PHE 290 . . A 1 1.030 56.669 65.753 1.00 7.02 ? CA PHE 290 A 1 +ATOM 2190 C C PHE 290 . . A 1 0.166 55.475 65.563 1.00 7.77 ? C PHE 290 A 1 +ATOM 2191 O O PHE 290 . . A 1 0.620 54.426 65.140 1.00 8.78 ? O PHE 290 A 1 +ATOM 2192 C CB PHE 290 . . A 1 0.930 57.706 64.649 1.00 5.39 ? CB PHE 290 A 1 +ATOM 2193 C CG PHE 290 . . A 1 2.049 58.697 64.835 1.00 6.71 ? CG PHE 290 A 1 +ATOM 2194 C CD1 PHE 290 . . A 1 2.069 59.518 65.980 1.00 9.75 ? CD1 PHE 290 A 1 +ATOM 2195 C CD2 PHE 290 . . A 1 3.094 58.785 63.908 1.00 5 ? CD2 PHE 290 A 1 +ATOM 2196 C CE1 PHE 290 . . A 1 3.123 60.416 66.204 1.00 12.99 ? CE1 PHE 290 A 1 +ATOM 2197 C CE2 PHE 290 . . A 1 4.152 59.683 64.134 1.00 15.4 ? CE2 PHE 290 A 1 +ATOM 2198 C CZ PHE 290 . . A 1 4.175 60.502 65.278 1.00 13.61 ? CZ PHE 290 A 1 +ATOM 2199 N N SER 291 . . A 1 -1.106 55.638 65.857 1.00 8.32 ? N SER 291 A 1 +ATOM 2200 C CA SER 291 . . A 1 -1.972 54.462 65.823 1.00 16.13 ? CA SER 291 A 1 +ATOM 2201 C C SER 291 . . A 1 -2.512 54.045 64.482 1.00 17.73 ? C SER 291 A 1 +ATOM 2202 O O SER 291 . . A 1 -2.336 52.912 64.051 1.00 20.12 ? O SER 291 A 1 +ATOM 2203 C CB SER 291 . . A 1 -3.099 54.609 66.872 1.00 19.54 ? CB SER 291 A 1 +ATOM 2204 O OG SER 291 . . A 1 -3.357 56.010 67.071 1.00 33.63 ? OG SER 291 A 1 +ATOM 2205 N N PHE 292 . . A 1 -3.239 54.985 63.879 1.00 17.03 ? N PHE 292 A 1 +ATOM 2206 C CA PHE 292 . . A 1 -3.854 54.779 62.570 1.00 16.67 ? CA PHE 292 A 1 +ATOM 2207 C C PHE 292 . . A 1 -2.927 55.452 61.567 1.00 16.8 ? C PHE 292 A 1 +ATOM 2208 O O PHE 292 . . A 1 -2.770 56.670 61.518 1.00 15.5 ? O PHE 292 A 1 +ATOM 2209 C CB PHE 292 . . A 1 -5.270 55.372 62.539 1.00 17.52 ? CB PHE 292 A 1 +ATOM 2210 C CG PHE 292 . . A 1 -6.134 54.657 63.543 1.00 17.08 ? CG PHE 292 A 1 +ATOM 2211 C CD1 PHE 292 . . A 1 -6.500 53.322 63.309 1.00 15.4 ? CD1 PHE 292 A 1 +ATOM 2212 C CD2 PHE 292 . . A 1 -6.550 55.293 64.726 1.00 18.33 ? CD2 PHE 292 A 1 +ATOM 2213 C CE1 PHE 292 . . A 1 -7.267 52.620 64.249 1.00 18.53 ? CE1 PHE 292 A 1 +ATOM 2214 C CE2 PHE 292 . . A 1 -7.321 54.589 65.666 1.00 17.4 ? CE2 PHE 292 A 1 +ATOM 2215 C CZ PHE 292 . . A 1 -7.677 53.255 65.429 1.00 14.64 ? CZ PHE 292 A 1 +ATOM 2216 N N VAL 293 . . A 1 -2.289 54.601 60.776 1.00 12.34 ? N VAL 293 A 1 +ATOM 2217 C CA VAL 293 . . A 1 -1.336 55.080 59.827 1.00 8.67 ? CA VAL 293 A 1 +ATOM 2218 C C VAL 293 . . A 1 -1.555 54.254 58.525 1.00 12.18 ? C VAL 293 A 1 +ATOM 2219 O O VAL 293 . . A 1 -2.342 53.305 58.560 1.00 16.8 ? O VAL 293 A 1 +ATOM 2220 C CB VAL 293 . . A 1 -0.041 54.883 60.652 1.00 4.33 ? CB VAL 293 A 1 +ATOM 2221 C CG1 VAL 293 . . A 1 0.600 53.521 60.414 1.00 2 ? CG1 VAL 293 A 1 +ATOM 2222 C CG2 VAL 293 . . A 1 0.897 56.091 60.681 1.00 2 ? CG2 VAL 293 A 1 +ATOM 2223 N N PRO 294 . . A 1 -0.904 54.629 57.388 1.00 9.3 ? N PRO 294 A 1 +ATOM 2224 C CA PRO 294 . . A 1 -0.938 53.815 56.186 1.00 8.79 ? CA PRO 294 A 1 +ATOM 2225 C C PRO 294 . . A 1 -0.599 52.352 56.371 1.00 10.5 ? C PRO 294 A 1 +ATOM 2226 O O PRO 294 . . A 1 0.323 51.972 57.076 1.00 9.56 ? O PRO 294 A 1 +ATOM 2227 C CB PRO 294 . . A 1 0.094 54.478 55.268 1.00 6.8 ? CB PRO 294 A 1 +ATOM 2228 C CG PRO 294 . . A 1 0.162 55.948 55.710 1.00 6.81 ? CG PRO 294 A 1 +ATOM 2229 C CD PRO 294 . . A 1 -0.242 55.919 57.186 1.00 9.07 ? CD PRO 294 A 1 +ATOM 2230 N N VAL 295 . . A 1 -1.359 51.520 55.684 1.00 11.41 ? N VAL 295 A 1 +ATOM 2231 C CA VAL 295 . . A 1 -1.144 50.105 55.753 1.00 11.66 ? CA VAL 295 A 1 +ATOM 2232 C C VAL 295 . . A 1 -0.563 49.626 54.426 1.00 11.36 ? C VAL 295 A 1 +ATOM 2233 O O VAL 295 . . A 1 -0.921 50.100 53.345 1.00 15.72 ? O VAL 295 A 1 +ATOM 2234 C CB VAL 295 . . A 1 -2.500 49.475 56.064 1.00 11.25 ? CB VAL 295 A 1 +ATOM 2235 C CG1 VAL 295 . . A 1 -3.536 49.665 54.957 1.00 11.82 ? CG1 VAL 295 A 1 +ATOM 2236 C CG2 VAL 295 . . A 1 -2.383 48.012 56.439 1.00 13.92 ? CG2 VAL 295 A 1 +ATOM 2237 N N ILE 296 . . A 1 0.332 48.650 54.494 1.00 7.67 ? N ILE 296 A 1 +ATOM 2238 C CA ILE 296 . . A 1 0.909 48.108 53.269 1.00 9.07 ? CA ILE 296 A 1 +ATOM 2239 C C ILE 296 . . A 1 -0.113 47.067 52.819 1.00 13.22 ? C ILE 296 A 1 +ATOM 2240 O O ILE 296 . . A 1 -0.081 45.901 53.170 1.00 16.51 ? O ILE 296 A 1 +ATOM 2241 C CB ILE 296 . . A 1 2.320 47.588 53.556 1.00 3.19 ? CB ILE 296 A 1 +ATOM 2242 C CG1 ILE 296 . . A 1 3.177 48.649 54.284 1.00 7.61 ? CG1 ILE 296 A 1 +ATOM 2243 C CG2 ILE 296 . . A 1 3.046 47.123 52.298 1.00 9.21 ? CG2 ILE 296 A 1 +ATOM 2244 C CD1 ILE 296 . . A 1 3.414 49.937 53.482 1.00 2 ? CD1 ILE 296 A 1 +ATOM 2245 N N ASP 297 . . A 1 -1.079 47.551 52.048 1.00 17.57 ? N ASP 297 A 1 +ATOM 2246 C CA ASP 297 . . A 1 -2.187 46.710 51.598 1.00 18.19 ? CA ASP 297 A 1 +ATOM 2247 C C ASP 297 . . A 1 -2.087 45.968 50.305 1.00 18.63 ? C ASP 297 A 1 +ATOM 2248 O O ASP 297 . . A 1 -3.040 45.291 49.965 1.00 20.4 ? O ASP 297 A 1 +ATOM 2249 C CB ASP 297 . . A 1 -3.443 47.587 51.441 1.00 21.53 ? CB ASP 297 A 1 +ATOM 2250 C CG ASP 297 . . A 1 -3.249 48.707 50.408 1.00 25.52 ? CG ASP 297 A 1 +ATOM 2251 O OD1 ASP 297 . . A 1 -2.118 48.919 49.965 1.00 25.27 ? OD1 ASP 297 A 1 +ATOM 2252 O OD2 ASP 297 . . A 1 -4.229 49.360 50.045 1.00 30.02 ? OD2 ASP 297 A 1 +ATOM 2253 N N GLY 298 . . A 1 -1.035 46.149 49.527 1.00 19.76 ? N GLY 298 A 1 +ATOM 2254 C CA GLY 298 . . A 1 -1.012 45.399 48.265 1.00 20.13 ? CA GLY 298 A 1 +ATOM 2255 C C GLY 298 . . A 1 -1.680 46.119 47.101 1.00 21.29 ? C GLY 298 A 1 +ATOM 2256 O O GLY 298 . . A 1 -1.650 45.683 45.964 1.00 21.74 ? O GLY 298 A 1 +ATOM 2257 N N GLU 299 . . A 1 -2.354 47.242 47.391 1.00 24.12 ? N GLU 299 A 1 +ATOM 2258 C CA GLU 299 . . A 1 -2.987 48.004 46.305 1.00 25.75 ? CA GLU 299 A 1 +ATOM 2259 C C GLU 299 . . A 1 -2.149 49.253 46.134 1.00 24.4 ? C GLU 299 A 1 +ATOM 2260 O O GLU 299 . . A 1 -1.330 49.372 45.239 1.00 26.48 ? O GLU 299 A 1 +ATOM 2261 C CB GLU 299 . . A 1 -4.484 48.325 46.503 1.00 25.83 ? CB GLU 299 A 1 +ATOM 2262 C CG GLU 299 . . A 1 -5.398 47.079 46.580 1.00 32.58 ? CG GLU 299 A 1 +ATOM 2263 N N PHE 300 . . A 1 -2.350 50.184 47.083 1.00 18.19 ? N PHE 300 A 1 +ATOM 2264 C CA PHE 300 . . A 1 -1.590 51.437 47.050 1.00 12.45 ? CA PHE 300 A 1 +ATOM 2265 C C PHE 300 . . A 1 -0.093 51.132 46.920 1.00 11.34 ? C PHE 300 A 1 +ATOM 2266 O O PHE 300 . . A 1 0.658 51.681 46.131 1.00 13.48 ? O PHE 300 A 1 +ATOM 2267 C CB PHE 300 . . A 1 -1.975 52.258 48.291 1.00 7.9 ? CB PHE 300 A 1 +ATOM 2268 C CG PHE 300 . . A 1 -1.758 53.743 48.144 1.00 2.53 ? CG PHE 300 A 1 +ATOM 2269 C CD1 PHE 300 . . A 1 -0.450 54.264 48.217 1.00 2 ? CD1 PHE 300 A 1 +ATOM 2270 C CD2 PHE 300 . . A 1 -2.854 54.617 47.978 1.00 2 ? CD2 PHE 300 A 1 +ATOM 2271 C CE1 PHE 300 . . A 1 -0.238 55.646 48.138 1.00 2 ? CE1 PHE 300 A 1 +ATOM 2272 C CE2 PHE 300 . . A 1 -2.636 56.001 47.897 1.00 2.42 ? CE2 PHE 300 A 1 +ATOM 2273 C CZ PHE 300 . . A 1 -1.329 56.516 47.975 1.00 2 ? CZ PHE 300 A 1 +ATOM 2274 N N PHE 301 . . A 1 0.338 50.182 47.740 1.00 13.91 ? N PHE 301 A 1 +ATOM 2275 C CA PHE 301 . . A 1 1.728 49.748 47.685 1.00 16.4 ? CA PHE 301 A 1 +ATOM 2276 C C PHE 301 . . A 1 1.552 48.355 47.154 1.00 17.78 ? C PHE 301 A 1 +ATOM 2277 O O PHE 301 . . A 1 0.813 47.606 47.779 1.00 18.74 ? O PHE 301 A 1 +ATOM 2278 C CB PHE 301 . . A 1 2.442 49.680 49.055 1.00 12.1 ? CB PHE 301 A 1 +ATOM 2279 C CG PHE 301 . . A 1 2.334 50.999 49.759 1.00 8.05 ? CG PHE 301 A 1 +ATOM 2280 C CD1 PHE 301 . . A 1 3.190 52.053 49.410 1.00 8.6 ? CD1 PHE 301 A 1 +ATOM 2281 C CD2 PHE 301 . . A 1 1.335 51.199 50.731 1.00 7.13 ? CD2 PHE 301 A 1 +ATOM 2282 C CE1 PHE 301 . . A 1 3.033 53.309 50.021 1.00 11.99 ? CE1 PHE 301 A 1 +ATOM 2283 C CE2 PHE 301 . . A 1 1.180 52.448 51.337 1.00 7.18 ? CE2 PHE 301 A 1 +ATOM 2284 C CZ PHE 301 . . A 1 2.027 53.509 50.983 1.00 6.39 ? CZ PHE 301 A 1 +ATOM 2285 N N PRO 302 . . A 1 2.178 48.011 46.027 1.00 22.94 ? N PRO 302 A 1 +ATOM 2286 C CA PRO 302 . . A 1 2.077 46.642 45.548 1.00 24.21 ? CA PRO 302 A 1 +ATOM 2287 C C PRO 302 . . A 1 2.809 45.660 46.448 1.00 26.54 ? C PRO 302 A 1 +ATOM 2288 O O PRO 302 . . A 1 2.337 44.569 46.749 1.00 30.3 ? O PRO 302 A 1 +ATOM 2289 C CB PRO 302 . . A 1 2.681 46.708 44.135 1.00 22.95 ? CB PRO 302 A 1 +ATOM 2290 C CG PRO 302 . . A 1 3.442 48.048 44.018 1.00 21.28 ? CG PRO 302 A 1 +ATOM 2291 C CD PRO 302 . . A 1 2.862 48.938 45.116 1.00 25.04 ? CD PRO 302 A 1 +ATOM 2292 N N THR 303 . . A 1 4.011 46.070 46.872 1.00 24.95 ? N THR 303 A 1 +ATOM 2293 C CA THR 303 . . A 1 4.819 45.204 47.717 1.00 23.35 ? CA THR 303 A 1 +ATOM 2294 C C THR 303 . . A 1 5.359 46.023 48.858 1.00 21.75 ? C THR 303 A 1 +ATOM 2295 O O THR 303 . . A 1 5.061 47.188 49.080 1.00 22.57 ? O THR 303 A 1 +ATOM 2296 C CB THR 303 . . A 1 5.960 44.619 46.857 1.00 24.02 ? CB THR 303 A 1 +ATOM 2297 O OG1 THR 303 . . A 1 5.373 44.118 45.672 1.00 35.66 ? OG1 THR 303 A 1 +ATOM 2298 C CG2 THR 303 . . A 1 6.781 43.426 47.395 1.00 32.95 ? CG2 THR 303 A 1 +ATOM 2299 N N SER 304 . . A 1 6.179 45.353 49.634 1.00 19.64 ? N SER 304 A 1 +ATOM 2300 C CA SER 304 . . A 1 6.777 46.036 50.737 1.00 22 ? CA SER 304 A 1 +ATOM 2301 C C SER 304 . . A 1 7.647 47.171 50.223 1.00 20.4 ? C SER 304 A 1 +ATOM 2302 O O SER 304 . . A 1 8.325 47.026 49.214 1.00 21.63 ? O SER 304 A 1 +ATOM 2303 C CB SER 304 . . A 1 7.617 45.022 51.523 1.00 25.76 ? CB SER 304 A 1 +ATOM 2304 O OG SER 304 . . A 1 8.746 44.583 50.764 1.00 28.88 ? OG SER 304 A 1 +ATOM 2305 N N LEU 305 . . A 1 7.668 48.268 50.974 1.00 17.53 ? N LEU 305 A 1 +ATOM 2306 C CA LEU 305 . . A 1 8.469 49.379 50.532 1.00 16.57 ? CA LEU 305 A 1 +ATOM 2307 C C LEU 305 . . A 1 9.931 49.020 50.352 1.00 19.69 ? C LEU 305 A 1 +ATOM 2308 O O LEU 305 . . A 1 10.656 49.623 49.579 1.00 24.75 ? O LEU 305 A 1 +ATOM 2309 C CB LEU 305 . . A 1 8.384 50.527 51.537 1.00 12.69 ? CB LEU 305 A 1 +ATOM 2310 C CG LEU 305 . . A 1 6.978 50.885 52.035 1.00 13 ? CG LEU 305 A 1 +ATOM 2311 C CD1 LEU 305 . . A 1 7.040 52.244 52.743 1.00 15.7 ? CD1 LEU 305 A 1 +ATOM 2312 C CD2 LEU 305 . . A 1 5.920 50.939 50.919 1.00 16.88 ? CD2 LEU 305 A 1 +ATOM 2313 N N GLU 306 . . A 1 10.385 48.013 51.088 1.00 21.26 ? N GLU 306 A 1 +ATOM 2314 C CA GLU 306 . . A 1 11.788 47.694 50.939 1.00 23.53 ? CA GLU 306 A 1 +ATOM 2315 C C GLU 306 . . A 1 12.068 47.065 49.589 1.00 26.4 ? C GLU 306 A 1 +ATOM 2316 O O GLU 306 . . A 1 13.099 47.362 48.988 1.00 26.99 ? O GLU 306 A 1 +ATOM 2317 C CB GLU 306 . . A 1 12.304 46.861 52.115 1.00 27.54 ? CB GLU 306 A 1 +ATOM 2318 C CG GLU 306 . . A 1 13.848 46.784 52.138 1.00 36.12 ? CG GLU 306 A 1 +ATOM 2319 C CD GLU 306 . . A 1 14.553 48.135 52.349 1.00 42.13 ? CD GLU 306 A 1 +ATOM 2320 O OE1 GLU 306 . . A 1 13.897 49.103 52.749 1.00 48.53 ? OE1 GLU 306 A 1 +ATOM 2321 O OE2 GLU 306 . . A 1 15.763 48.207 52.113 1.00 41.09 ? OE2 GLU 306 A 1 +ATOM 2322 N N SER 307 . . A 1 11.155 46.186 49.122 1.00 24.56 ? N SER 307 A 1 +ATOM 2323 C CA SER 307 . . A 1 11.386 45.608 47.794 1.00 23.34 ? CA SER 307 A 1 +ATOM 2324 C C SER 307 . . A 1 11.332 46.696 46.751 1.00 22.27 ? C SER 307 A 1 +ATOM 2325 O O SER 307 . . A 1 12.171 46.808 45.879 1.00 25.5 ? O SER 307 A 1 +ATOM 2326 C CB SER 307 . . A 1 10.291 44.624 47.401 1.00 25.32 ? CB SER 307 A 1 +ATOM 2327 O OG SER 307 . . A 1 10.486 43.433 48.131 1.00 35.53 ? OG SER 307 A 1 +ATOM 2328 N N MET 308 . . A 1 10.309 47.540 46.867 1.00 18.81 ? N MET 308 A 1 +ATOM 2329 C CA MET 308 . . A 1 10.191 48.616 45.913 1.00 14.66 ? CA MET 308 A 1 +ATOM 2330 C C MET 308 . . A 1 11.475 49.436 45.845 1.00 16.78 ? C MET 308 A 1 +ATOM 2331 O O MET 308 . . A 1 12.003 49.676 44.766 1.00 18.54 ? O MET 308 A 1 +ATOM 2332 C CB MET 308 . . A 1 8.931 49.437 46.194 1.00 10.18 ? CB MET 308 A 1 +ATOM 2333 C CG MET 308 . . A 1 7.683 48.546 46.106 1.00 9.23 ? CG MET 308 A 1 +ATOM 2334 S SD MET 308 . . A 1 6.168 49.530 46.289 1.00 18.45 ? SD MET 308 A 1 +ATOM 2335 C CE MET 308 . . A 1 6.091 50.363 44.685 1.00 12.01 ? CE MET 308 A 1 +ATOM 2336 N N LEU 309 . . A 1 11.991 49.825 47.011 1.00 16.99 ? N LEU 309 A 1 +ATOM 2337 C CA LEU 309 . . A 1 13.222 50.592 46.993 1.00 17.95 ? CA LEU 309 A 1 +ATOM 2338 C C LEU 309 . . A 1 14.345 49.795 46.357 1.00 17.65 ? C LEU 309 A 1 +ATOM 2339 O O LEU 309 . . A 1 15.151 50.301 45.592 1.00 16.1 ? O LEU 309 A 1 +ATOM 2340 C CB LEU 309 . . A 1 13.666 51.032 48.407 1.00 17.08 ? CB LEU 309 A 1 +ATOM 2341 C CG LEU 309 . . A 1 12.687 52.013 49.072 1.00 19.36 ? CG LEU 309 A 1 +ATOM 2342 C CD1 LEU 309 . . A 1 12.952 52.089 50.571 1.00 21.6 ? CD1 LEU 309 A 1 +ATOM 2343 C CD2 LEU 309 . . A 1 12.728 53.417 48.462 1.00 21.39 ? CD2 LEU 309 A 1 +ATOM 2344 N N ASN 310 . . A 1 14.386 48.511 46.680 1.00 21 ? N ASN 310 A 1 +ATOM 2345 C CA ASN 310 . . A 1 15.469 47.696 46.131 1.00 24.25 ? CA ASN 310 A 1 +ATOM 2346 C C ASN 310 . . A 1 15.341 47.420 44.651 1.00 23.67 ? C ASN 310 A 1 +ATOM 2347 O O ASN 310 . . A 1 16.341 47.175 43.994 1.00 28.49 ? O ASN 310 A 1 +ATOM 2348 C CB ASN 310 . . A 1 15.643 46.361 46.879 1.00 22.68 ? CB ASN 310 A 1 +ATOM 2349 N N SER 311 . . A 1 14.126 47.470 44.120 1.00 22.33 ? N SER 311 A 1 +ATOM 2350 C CA SER 311 . . A 1 13.956 47.185 42.700 1.00 20.64 ? CA SER 311 A 1 +ATOM 2351 C C SER 311 . . A 1 13.793 48.386 41.819 1.00 19.56 ? C SER 311 A 1 +ATOM 2352 O O SER 311 . . A 1 13.630 48.256 40.625 1.00 23.99 ? O SER 311 A 1 +ATOM 2353 C CB SER 311 . . A 1 12.680 46.370 42.501 1.00 17.52 ? CB SER 311 A 1 +ATOM 2354 O OG SER 311 . . A 1 12.759 45.201 43.314 1.00 28.32 ? OG SER 311 A 1 +ATOM 2355 N N GLY 312 . . A 1 13.792 49.586 42.366 1.00 22.66 ? N GLY 312 A 1 +ATOM 2356 C CA GLY 312 . . A 1 13.590 50.708 41.450 1.00 16.05 ? CA GLY 312 A 1 +ATOM 2357 C C GLY 312 . . A 1 12.176 50.853 41.018 1.00 15.93 ? C GLY 312 A 1 +ATOM 2358 O O GLY 312 . . A 1 11.823 51.512 40.050 1.00 16.26 ? O GLY 312 A 1 +ATOM 2359 N N ASN 313 . . A 1 11.317 50.212 41.788 1.00 13.55 ? N ASN 313 A 1 +ATOM 2360 C CA ASN 313 . . A 1 9.934 50.273 41.428 1.00 12.79 ? CA ASN 313 A 1 +ATOM 2361 C C ASN 313 . . A 1 9.345 51.562 41.939 1.00 14.18 ? C ASN 313 A 1 +ATOM 2362 O O ASN 313 . . A 1 8.511 51.543 42.827 1.00 17.05 ? O ASN 313 A 1 +ATOM 2363 C CB ASN 313 . . A 1 9.246 49.058 42.036 1.00 9.57 ? CB ASN 313 A 1 +ATOM 2364 C CG ASN 313 . . A 1 7.795 48.867 41.661 1.00 9.15 ? CG ASN 313 A 1 +ATOM 2365 O OD1 ASN 313 . . A 1 7.154 47.935 42.126 1.00 17.83 ? OD1 ASN 313 A 1 +ATOM 2366 N ND2 ASN 313 . . A 1 7.261 49.725 40.809 1.00 7.64 ? ND2 ASN 313 A 1 +ATOM 2367 N N PHE 314 . . A 1 9.769 52.687 41.365 1.00 12.17 ? N PHE 314 A 1 +ATOM 2368 C CA PHE 314 . . A 1 9.246 53.960 41.811 1.00 11.47 ? CA PHE 314 A 1 +ATOM 2369 C C PHE 314 . . A 1 9.491 55.002 40.742 1.00 9.09 ? C PHE 314 A 1 +ATOM 2370 O O PHE 314 . . A 1 10.292 54.813 39.841 1.00 11.88 ? O PHE 314 A 1 +ATOM 2371 C CB PHE 314 . . A 1 9.927 54.378 43.142 1.00 8.27 ? CB PHE 314 A 1 +ATOM 2372 C CG PHE 314 . . A 1 11.439 54.212 43.190 1.00 5.34 ? CG PHE 314 A 1 +ATOM 2373 C CD1 PHE 314 . . A 1 12.275 55.125 42.522 1.00 5.5 ? CD1 PHE 314 A 1 +ATOM 2374 C CD2 PHE 314 . . A 1 12.032 53.161 43.921 1.00 6.88 ? CD2 PHE 314 A 1 +ATOM 2375 C CE1 PHE 314 . . A 1 13.670 55.013 42.589 1.00 5.64 ? CE1 PHE 314 A 1 +ATOM 2376 C CE2 PHE 314 . . A 1 13.434 53.046 43.990 1.00 6.23 ? CE2 PHE 314 A 1 +ATOM 2377 C CZ PHE 314 . . A 1 14.252 53.974 43.326 1.00 8.11 ? CZ PHE 314 A 1 +ATOM 2378 N N LYS 315 . . A 1 8.780 56.117 40.865 1.00 6.19 ? N LYS 315 A 1 +ATOM 2379 C CA LYS 315 . . A 1 8.949 57.212 39.930 1.00 5.55 ? CA LYS 315 A 1 +ATOM 2380 C C LYS 315 . . A 1 10.401 57.689 39.991 1.00 8.59 ? C LYS 315 A 1 +ATOM 2381 O O LYS 315 . . A 1 10.940 57.798 41.078 1.00 11.14 ? O LYS 315 A 1 +ATOM 2382 C CB LYS 315 . . A 1 8.034 58.359 40.375 1.00 2 ? CB LYS 315 A 1 +ATOM 2383 C CG LYS 315 . . A 1 7.791 59.418 39.309 1.00 2 ? CG LYS 315 A 1 +ATOM 2384 C CD LYS 315 . . A 1 6.984 60.602 39.844 1.00 5.62 ? CD LYS 315 A 1 +ATOM 2385 C CE LYS 315 . . A 1 7.012 61.841 38.941 1.00 2.23 ? CE LYS 315 A 1 +ATOM 2386 N NZ LYS 315 . . A 1 6.314 61.584 37.702 1.00 7.21 ? NZ LYS 315 A 1 +ATOM 2387 N N LYS 316 . . A 1 11.009 57.995 38.832 1.00 11.74 ? N LYS 316 A 1 +ATOM 2388 C CA LYS 316 . . A 1 12.404 58.456 38.780 1.00 11.54 ? CA LYS 316 A 1 +ATOM 2389 C C LYS 316 . . A 1 12.451 59.858 38.240 1.00 13.56 ? C LYS 316 A 1 +ATOM 2390 O O LYS 316 . . A 1 12.348 60.074 37.049 1.00 20.69 ? O LYS 316 A 1 +ATOM 2391 C CB LYS 316 . . A 1 13.171 57.521 37.864 1.00 8.26 ? CB LYS 316 A 1 +ATOM 2392 C CG LYS 316 . . A 1 13.127 56.119 38.485 1.00 16.81 ? CG LYS 316 A 1 +ATOM 2393 C CD LYS 316 . . A 1 13.289 54.969 37.505 1.00 20.85 ? CD LYS 316 A 1 +ATOM 2394 C CE LYS 316 . . A 1 12.902 53.663 38.201 1.00 26.47 ? CE LYS 316 A 1 +ATOM 2395 N NZ LYS 316 . . A 1 13.286 52.521 37.401 1.00 38.01 ? NZ LYS 316 A 1 +ATOM 2396 N N THR 317 . . A 1 12.594 60.814 39.134 1.00 14.01 ? N THR 317 A 1 +ATOM 2397 C CA THR 317 . . A 1 12.652 62.244 38.864 1.00 9.79 ? CA THR 317 A 1 +ATOM 2398 C C THR 317 . . A 1 13.686 62.692 39.841 1.00 10.09 ? C THR 317 A 1 +ATOM 2399 O O THR 317 . . A 1 14.387 61.834 40.377 1.00 14.11 ? O THR 317 A 1 +ATOM 2400 C CB THR 317 . . A 1 11.268 62.826 39.158 1.00 8.4 ? CB THR 317 A 1 +ATOM 2401 O OG1 THR 317 . . A 1 11.163 64.217 38.919 1.00 3.2 ? OG1 THR 317 A 1 +ATOM 2402 C CG2 THR 317 . . A 1 10.726 62.508 40.561 1.00 13.38 ? CG2 THR 317 A 1 +ATOM 2403 N N GLN 318 . . A 1 13.803 63.988 40.092 1.00 6.37 ? N GLN 318 A 1 +ATOM 2404 C CA GLN 318 . . A 1 14.777 64.420 41.073 1.00 12.87 ? CA GLN 318 A 1 +ATOM 2405 C C GLN 318 . . A 1 13.988 64.827 42.278 1.00 14.14 ? C GLN 318 A 1 +ATOM 2406 O O GLN 318 . . A 1 12.856 65.269 42.127 1.00 16.56 ? O GLN 318 A 1 +ATOM 2407 C CB GLN 318 . . A 1 15.678 65.574 40.599 1.00 15.58 ? CB GLN 318 A 1 +ATOM 2408 C CG GLN 318 . . A 1 14.988 66.667 39.762 1.00 19.31 ? CG GLN 318 A 1 +ATOM 2409 C CD GLN 318 . . A 1 14.540 66.130 38.419 1.00 22.16 ? CD GLN 318 A 1 +ATOM 2410 O OE1 GLN 318 . . A 1 13.369 66.144 38.104 1.00 23.76 ? OE1 GLN 318 A 1 +ATOM 2411 N NE2 GLN 318 . . A 1 15.466 65.585 37.653 1.00 23.65 ? NE2 GLN 318 A 1 +ATOM 2412 N N ILE 319 . . A 1 14.601 64.668 43.460 1.00 14.51 ? N ILE 319 A 1 +ATOM 2413 C CA ILE 319 . . A 1 13.962 65.028 44.715 1.00 13.89 ? CA ILE 319 A 1 +ATOM 2414 C C ILE 319 . . A 1 14.935 65.892 45.481 1.00 13.76 ? C ILE 319 A 1 +ATOM 2415 O O ILE 319 . . A 1 16.143 65.848 45.224 1.00 15.41 ? O ILE 319 A 1 +ATOM 2416 C CB ILE 319 . . A 1 13.606 63.764 45.533 1.00 8.68 ? CB ILE 319 A 1 +ATOM 2417 C CG1 ILE 319 . . A 1 14.810 62.833 45.701 1.00 9.47 ? CG1 ILE 319 A 1 +ATOM 2418 C CG2 ILE 319 . . A 1 12.439 63.029 44.879 1.00 8.02 ? CG2 ILE 319 A 1 +ATOM 2419 C CD1 ILE 319 . . A 1 14.535 61.645 46.616 1.00 10.02 ? CD1 ILE 319 A 1 +ATOM 2420 N N LEU 320 . . A 1 14.374 66.653 46.433 1.00 12.95 ? N LEU 320 A 1 +ATOM 2421 C CA LEU 320 . . A 1 15.133 67.534 47.325 1.00 13.55 ? CA LEU 320 A 1 +ATOM 2422 C C LEU 320 . . A 1 14.604 67.179 48.708 1.00 16.92 ? C LEU 320 A 1 +ATOM 2423 O O LEU 320 . . A 1 13.402 67.300 48.938 1.00 17.93 ? O LEU 320 A 1 +ATOM 2424 C CB LEU 320 . . A 1 14.885 68.995 46.946 1.00 10.04 ? CB LEU 320 A 1 +ATOM 2425 C CG LEU 320 . . A 1 15.616 70.015 47.806 1.00 2.89 ? CG LEU 320 A 1 +ATOM 2426 C CD1 LEU 320 . . A 1 15.902 71.283 46.999 1.00 2 ? CD1 LEU 320 A 1 +ATOM 2427 C CD2 LEU 320 . . A 1 14.777 70.365 49.034 1.00 2 ? CD2 LEU 320 A 1 +ATOM 2428 N N LEU 321 . . A 1 15.471 66.724 49.628 1.00 19.13 ? N LEU 321 A 1 +ATOM 2429 C CA LEU 321 . . A 1 14.983 66.334 50.959 1.00 20.76 ? CA LEU 321 A 1 +ATOM 2430 C C LEU 321 . . A 1 15.948 66.716 52.073 1.00 21.85 ? C LEU 321 A 1 +ATOM 2431 O O LEU 321 . . A 1 17.080 67.123 51.823 1.00 21.77 ? O LEU 321 A 1 +ATOM 2432 C CB LEU 321 . . A 1 14.567 64.848 50.994 1.00 13.85 ? CB LEU 321 A 1 +ATOM 2433 C CG LEU 321 . . A 1 15.662 63.771 50.878 1.00 10.01 ? CG LEU 321 A 1 +ATOM 2434 C CD1 LEU 321 . . A 1 14.969 62.419 50.669 1.00 14.33 ? CD1 LEU 321 A 1 +ATOM 2435 C CD2 LEU 321 . . A 1 16.697 64.033 49.786 1.00 12.34 ? CD2 LEU 321 A 1 +ATOM 2436 N N GLY 322 . . A 1 15.474 66.606 53.323 1.00 20.68 ? N GLY 322 A 1 +ATOM 2437 C CA GLY 322 . . A 1 16.364 66.975 54.413 1.00 21.02 ? CA GLY 322 A 1 +ATOM 2438 C C GLY 322 . . A 1 15.837 66.670 55.788 1.00 20.39 ? C GLY 322 A 1 +ATOM 2439 O O GLY 322 . . A 1 14.748 66.148 56.012 1.00 17.65 ? O GLY 322 A 1 +ATOM 2440 N N VAL 323 . . A 1 16.676 67.039 56.737 1.00 19.21 ? N VAL 323 A 1 +ATOM 2441 C CA VAL 323 . . A 1 16.454 66.802 58.135 1.00 16.39 ? CA VAL 323 A 1 +ATOM 2442 C C VAL 323 . . A 1 16.833 68.060 58.918 1.00 18.43 ? C VAL 323 A 1 +ATOM 2443 O O VAL 323 . . A 1 17.569 68.917 58.453 1.00 21.23 ? O VAL 323 A 1 +ATOM 2444 C CB VAL 323 . . A 1 17.385 65.595 58.390 1.00 13.97 ? CB VAL 323 A 1 +ATOM 2445 C CG1 VAL 323 . . A 1 18.247 65.660 59.636 1.00 22.44 ? CG1 VAL 323 A 1 +ATOM 2446 C CG2 VAL 323 . . A 1 16.668 64.246 58.256 1.00 12.08 ? CG2 VAL 323 A 1 +ATOM 2447 N N ASN 324 . . A 1 16.312 68.130 60.140 1.00 19.64 ? N ASN 324 A 1 +ATOM 2448 C CA ASN 324 . . A 1 16.576 69.232 61.065 1.00 20.25 ? CA ASN 324 A 1 +ATOM 2449 C C ASN 324 . . A 1 17.483 68.638 62.123 1.00 18.45 ? C ASN 324 A 1 +ATOM 2450 O O ASN 324 . . A 1 17.417 67.451 62.429 1.00 17.84 ? O ASN 324 A 1 +ATOM 2451 C CB ASN 324 . . A 1 15.325 69.717 61.812 1.00 22.56 ? CB ASN 324 A 1 +ATOM 2452 C CG ASN 324 . . A 1 14.487 70.641 60.991 1.00 27.51 ? CG ASN 324 A 1 +ATOM 2453 O OD1 ASN 324 . . A 1 14.739 70.895 59.826 1.00 37.47 ? OD1 ASN 324 A 1 +ATOM 2454 N ND2 ASN 324 . . A 1 13.440 71.163 61.614 1.00 29.83 ? ND2 ASN 324 A 1 +ATOM 2455 N N LYS 325 . . A 1 18.277 69.490 62.736 1.00 16.85 ? N LYS 325 A 1 +ATOM 2456 C CA LYS 325 . . A 1 19.209 69.004 63.749 1.00 18.86 ? CA LYS 325 A 1 +ATOM 2457 C C LYS 325 . . A 1 18.633 68.269 64.972 1.00 19.76 ? C LYS 325 A 1 +ATOM 2458 O O LYS 325 . . A 1 19.155 67.238 65.376 1.00 22.32 ? O LYS 325 A 1 +ATOM 2459 C CB LYS 325 . . A 1 20.041 70.206 64.203 1.00 19.84 ? CB LYS 325 A 1 +ATOM 2460 C CG LYS 325 . . A 1 21.235 69.913 65.106 1.00 18.37 ? CG LYS 325 A 1 +ATOM 2461 C CD LYS 325 . . A 1 21.879 71.216 65.602 1.00 23.69 ? CD LYS 325 A 1 +ATOM 2462 C CE LYS 325 . . A 1 22.953 70.945 66.686 1.00 31.93 ? CE LYS 325 A 1 +ATOM 2463 N N ASP 326 . . A 1 17.564 68.800 65.589 1.00 19 ? N ASP 326 A 1 +ATOM 2464 C CA ASP 326 . . A 1 16.997 68.168 66.786 1.00 15.13 ? CA ASP 326 A 1 +ATOM 2465 C C ASP 326 . . A 1 15.582 67.685 66.541 1.00 15.41 ? C ASP 326 A 1 +ATOM 2466 O O ASP 326 . . A 1 14.554 68.246 66.915 1.00 17.38 ? O ASP 326 A 1 +ATOM 2467 C CB ASP 326 . . A 1 17.045 69.147 67.964 1.00 14.86 ? CB ASP 326 A 1 +ATOM 2468 C CG ASP 326 . . A 1 18.481 69.585 68.202 1.00 15.21 ? CG ASP 326 A 1 +ATOM 2469 O OD1 ASP 326 . . A 1 19.246 68.787 68.744 1.00 12.3 ? OD1 ASP 326 A 1 +ATOM 2470 O OD2 ASP 326 . . A 1 18.837 70.705 67.836 1.00 17.21 ? OD2 ASP 326 A 1 +ATOM 2471 N N GLU 327 . . A 1 15.548 66.544 65.869 1.00 15.52 ? N GLU 327 A 1 +ATOM 2472 C CA GLU 327 . . A 1 14.229 66.004 65.564 1.00 13.42 ? CA GLU 327 A 1 +ATOM 2473 C C GLU 327 . . A 1 13.532 65.379 66.751 1.00 10.57 ? C GLU 327 A 1 +ATOM 2474 O O GLU 327 . . A 1 12.316 65.300 66.771 1.00 9.81 ? O GLU 327 A 1 +ATOM 2475 C CB GLU 327 . . A 1 14.333 64.889 64.496 1.00 17.15 ? CB GLU 327 A 1 +ATOM 2476 C CG GLU 327 . . A 1 14.964 65.334 63.166 1.00 18.52 ? CG GLU 327 A 1 +ATOM 2477 C CD GLU 327 . . A 1 13.970 66.056 62.282 1.00 19.62 ? CD GLU 327 A 1 +ATOM 2478 O OE1 GLU 327 . . A 1 12.931 66.484 62.781 1.00 21.93 ? OE1 GLU 327 A 1 +ATOM 2479 O OE2 GLU 327 . . A 1 14.237 66.179 61.090 1.00 16.45 ? OE2 GLU 327 A 1 +ATOM 2480 N N GLY 328 . . A 1 14.326 64.899 67.718 1.00 11.45 ? N GLY 328 A 1 +ATOM 2481 C CA GLY 328 . . A 1 13.742 64.223 68.891 1.00 9.29 ? CA GLY 328 A 1 +ATOM 2482 C C GLY 328 . . A 1 13.019 65.075 69.925 1.00 5.98 ? C GLY 328 A 1 +ATOM 2483 O O GLY 328 . . A 1 11.947 64.733 70.402 1.00 5.07 ? O GLY 328 A 1 +ATOM 2484 N N SER 329 . . A 1 13.605 66.213 70.250 1.00 4.05 ? N SER 329 A 1 +ATOM 2485 C CA SER 329 . . A 1 13.070 67.137 71.237 1.00 6.39 ? CA SER 329 A 1 +ATOM 2486 C C SER 329 . . A 1 11.602 67.111 71.523 1.00 9.36 ? C SER 329 A 1 +ATOM 2487 O O SER 329 . . A 1 11.178 66.831 72.631 1.00 15.58 ? O SER 329 A 1 +ATOM 2488 C CB SER 329 . . A 1 13.402 68.587 70.876 1.00 4.71 ? CB SER 329 A 1 +ATOM 2489 O OG SER 329 . . A 1 14.743 68.550 70.442 1.00 15.15 ? OG SER 329 A 1 +ATOM 2490 N N PHE 330 . . A 1 10.831 67.435 70.503 1.00 10.03 ? N PHE 330 A 1 +ATOM 2491 C CA PHE 330 . . A 1 9.388 67.504 70.670 1.00 9.24 ? CA PHE 330 A 1 +ATOM 2492 C C PHE 330 . . A 1 8.801 66.222 71.233 1.00 11.37 ? C PHE 330 A 1 +ATOM 2493 O O PHE 330 . . A 1 7.995 66.250 72.151 1.00 14.67 ? O PHE 330 A 1 +ATOM 2494 C CB PHE 330 . . A 1 8.797 67.941 69.310 1.00 9.9 ? CB PHE 330 A 1 +ATOM 2495 C CG PHE 330 . . A 1 7.361 67.570 69.090 1.00 5.23 ? CG PHE 330 A 1 +ATOM 2496 C CD1 PHE 330 . . A 1 6.355 68.074 69.932 1.00 7.49 ? CD1 PHE 330 A 1 +ATOM 2497 C CD2 PHE 330 . . A 1 7.029 66.699 68.050 1.00 2 ? CD2 PHE 330 A 1 +ATOM 2498 C CE1 PHE 330 . . A 1 5.016 67.694 69.746 1.00 5.45 ? CE1 PHE 330 A 1 +ATOM 2499 C CE2 PHE 330 . . A 1 5.702 66.309 67.869 1.00 6.92 ? CE2 PHE 330 A 1 +ATOM 2500 C CZ PHE 330 . . A 1 4.692 66.803 68.719 1.00 7.06 ? CZ PHE 330 A 1 +ATOM 2501 N N PHE 331 . . A 1 9.253 65.093 70.703 1.00 10.22 ? N PHE 331 A 1 +ATOM 2502 C CA PHE 331 . . A 1 8.704 63.827 71.186 1.00 9.49 ? CA PHE 331 A 1 +ATOM 2503 C C PHE 331 . . A 1 9.104 63.550 72.605 1.00 10.53 ? C PHE 331 A 1 +ATOM 2504 O O PHE 331 . . A 1 8.302 63.082 73.401 1.00 18.03 ? O PHE 331 A 1 +ATOM 2505 C CB PHE 331 . . A 1 9.108 62.653 70.283 1.00 5.51 ? CB PHE 331 A 1 +ATOM 2506 C CG PHE 331 . . A 1 8.718 62.957 68.870 1.00 7.87 ? CG PHE 331 A 1 +ATOM 2507 C CD1 PHE 331 . . A 1 9.586 63.696 68.044 1.00 9.94 ? CD1 PHE 331 A 1 +ATOM 2508 C CD2 PHE 331 . . A 1 7.436 62.607 68.414 1.00 7.15 ? CD2 PHE 331 A 1 +ATOM 2509 C CE1 PHE 331 . . A 1 9.155 64.126 66.787 1.00 9.44 ? CE1 PHE 331 A 1 +ATOM 2510 C CE2 PHE 331 . . A 1 7.007 63.035 67.154 1.00 9.46 ? CE2 PHE 331 A 1 +ATOM 2511 C CZ PHE 331 . . A 1 7.863 63.800 66.344 1.00 11.59 ? CZ PHE 331 A 1 +ATOM 2512 N N LEU 332 . . A 1 10.375 63.847 72.918 1.00 9.05 ? N LEU 332 A 1 +ATOM 2513 C CA LEU 332 . . A 1 10.840 63.607 74.285 1.00 7.07 ? CA LEU 332 A 1 +ATOM 2514 C C LEU 332 . . A 1 10.027 64.468 75.245 1.00 7.31 ? C LEU 332 A 1 +ATOM 2515 O O LEU 332 . . A 1 9.320 63.979 76.117 1.00 5.4 ? O LEU 332 A 1 +ATOM 2516 C CB LEU 332 . . A 1 12.349 63.825 74.423 1.00 2 ? CB LEU 332 A 1 +ATOM 2517 C CG LEU 332 . . A 1 13.172 62.733 73.743 1.00 2 ? CG LEU 332 A 1 +ATOM 2518 C CD1 LEU 332 . . A 1 14.622 63.164 73.595 1.00 2 ? CD1 LEU 332 A 1 +ATOM 2519 C CD2 LEU 332 . . A 1 13.094 61.403 74.488 1.00 2 ? CD2 LEU 332 A 1 +ATOM 2520 N N LEU 333 . . A 1 10.102 65.774 75.008 1.00 4.82 ? N LEU 333 A 1 +ATOM 2521 C CA LEU 333 . . A 1 9.359 66.732 75.799 1.00 4.67 ? CA LEU 333 A 1 +ATOM 2522 C C LEU 333 . . A 1 7.899 66.344 76.002 1.00 6.42 ? C LEU 333 A 1 +ATOM 2523 O O LEU 333 . . A 1 7.330 66.523 77.071 1.00 13.53 ? O LEU 333 A 1 +ATOM 2524 C CB LEU 333 . . A 1 9.460 68.073 75.079 1.00 6.73 ? CB LEU 333 A 1 +ATOM 2525 C CG LEU 333 . . A 1 8.757 69.310 75.682 1.00 8.9 ? CG LEU 333 A 1 +ATOM 2526 C CD1 LEU 333 . . A 1 7.382 69.539 75.101 1.00 9.01 ? CD1 LEU 333 A 1 +ATOM 2527 C CD2 LEU 333 . . A 1 8.713 69.365 77.212 1.00 12.87 ? CD2 LEU 333 A 1 +ATOM 2528 N N TYR 334 . . A 1 7.280 65.785 74.975 1.00 6.07 ? N TYR 334 A 1 +ATOM 2529 C CA TYR 334 . . A 1 5.871 65.437 75.152 1.00 6.57 ? CA TYR 334 A 1 +ATOM 2530 C C TYR 334 . . A 1 5.629 64.108 75.786 1.00 6.32 ? C TYR 334 A 1 +ATOM 2531 O O TYR 334 . . A 1 4.517 63.901 76.249 1.00 8.62 ? O TYR 334 A 1 +ATOM 2532 C CB TYR 334 . . A 1 5.054 65.477 73.835 1.00 5.74 ? CB TYR 334 A 1 +ATOM 2533 C CG TYR 334 . . A 1 4.521 66.852 73.512 1.00 2 ? CG TYR 334 A 1 +ATOM 2534 C CD1 TYR 334 . . A 1 5.409 67.907 73.254 1.00 2 ? CD1 TYR 334 A 1 +ATOM 2535 C CD2 TYR 334 . . A 1 3.137 67.079 73.460 1.00 2 ? CD2 TYR 334 A 1 +ATOM 2536 C CE1 TYR 334 . . A 1 4.912 69.181 72.946 1.00 5.08 ? CE1 TYR 334 A 1 +ATOM 2537 C CE2 TYR 334 . . A 1 2.633 68.349 73.155 1.00 2 ? CE2 TYR 334 A 1 +ATOM 2538 C CZ TYR 334 . . A 1 3.521 69.399 72.890 1.00 4.53 ? CZ TYR 334 A 1 +ATOM 2539 O OH TYR 334 . . A 1 3.049 70.651 72.554 1.00 11.53 ? OH TYR 334 A 1 +ATOM 2540 N N GLY 335 . . A 1 6.595 63.194 75.819 1.00 6.87 ? N GLY 335 A 1 +ATOM 2541 C CA GLY 335 . . A 1 6.176 61.960 76.480 1.00 7.35 ? CA GLY 335 A 1 +ATOM 2542 C C GLY 335 . . A 1 7.252 61.095 77.070 1.00 9.23 ? C GLY 335 A 1 +ATOM 2543 O O GLY 335 . . A 1 7.053 59.912 77.296 1.00 7.96 ? O GLY 335 A 1 +ATOM 2544 N N ALA 336 . . A 1 8.413 61.661 77.332 1.00 10.09 ? N ALA 336 A 1 +ATOM 2545 C CA ALA 336 . . A 1 9.487 60.899 77.920 1.00 11.9 ? CA ALA 336 A 1 +ATOM 2546 C C ALA 336 . . A 1 9.673 61.485 79.315 1.00 15.96 ? C ALA 336 A 1 +ATOM 2547 O O ALA 336 . . A 1 9.580 62.702 79.500 1.00 18.28 ? O ALA 336 A 1 +ATOM 2548 C CB ALA 336 . . A 1 10.768 61.057 77.107 1.00 15.83 ? CB ALA 336 A 1 +ATOM 2549 N N PRO 337 . . A 1 9.904 60.610 80.308 1.00 15.53 ? N PRO 337 A 1 +ATOM 2550 C CA PRO 337 . . A 1 9.985 61.082 81.683 1.00 14.25 ? CA PRO 337 A 1 +ATOM 2551 C C PRO 337 . . A 1 11.283 61.808 82.017 1.00 15.93 ? C PRO 337 A 1 +ATOM 2552 O O PRO 337 . . A 1 12.366 61.243 81.891 1.00 15.63 ? O PRO 337 A 1 +ATOM 2553 C CB PRO 337 . . A 1 9.910 59.789 82.500 1.00 16.93 ? CB PRO 337 A 1 +ATOM 2554 C CG PRO 337 . . A 1 10.331 58.651 81.553 1.00 17.25 ? CG PRO 337 A 1 +ATOM 2555 C CD PRO 337 . . A 1 9.995 59.158 80.154 1.00 17.55 ? CD PRO 337 A 1 +ATOM 2556 N N GLY 338 . . A 1 11.154 63.059 82.479 1.00 14.88 ? N GLY 338 A 1 +ATOM 2557 C CA GLY 338 . . A 1 12.336 63.815 82.855 1.00 14.54 ? CA GLY 338 A 1 +ATOM 2558 C C GLY 338 . . A 1 12.454 65.113 82.127 1.00 17.81 ? C GLY 338 A 1 +ATOM 2559 O O GLY 338 . . A 1 13.127 66.053 82.554 1.00 22.81 ? O GLY 338 A 1 +ATOM 2560 N N PHE 339 . . A 1 11.757 65.184 80.999 1.00 19.32 ? N PHE 339 A 1 +ATOM 2561 C CA PHE 339 . . A 1 11.838 66.393 80.199 1.00 13.96 ? CA PHE 339 A 1 +ATOM 2562 C C PHE 339 . . A 1 10.696 67.272 80.539 1.00 13.96 ? C PHE 339 A 1 +ATOM 2563 O O PHE 339 . . A 1 9.606 66.770 80.776 1.00 22.31 ? O PHE 339 A 1 +ATOM 2564 C CB PHE 339 . . A 1 11.708 66.044 78.717 1.00 10.64 ? CB PHE 339 A 1 +ATOM 2565 C CG PHE 339 . . A 1 12.837 65.169 78.270 1.00 3.88 ? CG PHE 339 A 1 +ATOM 2566 C CD1 PHE 339 . . A 1 12.760 63.776 78.437 1.00 2.63 ? CD1 PHE 339 A 1 +ATOM 2567 C CD2 PHE 339 . . A 1 13.967 65.743 77.680 1.00 2 ? CD2 PHE 339 A 1 +ATOM 2568 C CE1 PHE 339 . . A 1 13.811 62.968 78.001 1.00 2.88 ? CE1 PHE 339 A 1 +ATOM 2569 C CE2 PHE 339 . . A 1 15.001 64.936 77.218 1.00 2 ? CE2 PHE 339 A 1 +ATOM 2570 C CZ PHE 339 . . A 1 14.928 63.553 77.384 1.00 2 ? CZ PHE 339 A 1 +ATOM 2571 N N SER 340 . . A 1 10.907 68.570 80.551 1.00 5.93 ? N SER 340 A 1 +ATOM 2572 C CA SER 340 . . A 1 9.788 69.412 80.861 1.00 8.24 ? CA SER 340 A 1 +ATOM 2573 C C SER 340 . . A 1 10.176 70.702 80.211 1.00 9.54 ? C SER 340 A 1 +ATOM 2574 O O SER 340 . . A 1 11.351 71.018 80.104 1.00 12.25 ? O SER 340 A 1 +ATOM 2575 C CB SER 340 . . A 1 9.520 69.474 82.370 1.00 13.24 ? CB SER 340 A 1 +ATOM 2576 O OG SER 340 . . A 1 10.769 69.483 83.055 1.00 20.34 ? OG SER 340 A 1 +ATOM 2577 N N LYS 341 . . A 1 9.165 71.447 79.776 1.00 8.55 ? N LYS 341 A 1 +ATOM 2578 C CA LYS 341 . . A 1 9.393 72.688 79.084 1.00 6.09 ? CA LYS 341 A 1 +ATOM 2579 C C LYS 341 . . A 1 10.149 73.771 79.809 1.00 10.8 ? C LYS 341 A 1 +ATOM 2580 O O LYS 341 . . A 1 10.918 74.490 79.193 1.00 16.03 ? O LYS 341 A 1 +ATOM 2581 C CB LYS 341 . . A 1 8.028 73.295 78.730 1.00 8.3 ? CB LYS 341 A 1 +ATOM 2582 C CG LYS 341 . . A 1 8.154 74.489 77.781 1.00 12.38 ? CG LYS 341 A 1 +ATOM 2583 C CD LYS 341 . . A 1 6.811 75.078 77.352 1.00 17.57 ? CD LYS 341 A 1 +ATOM 2584 C CE LYS 341 . . A 1 6.425 76.349 78.108 1.00 20.78 ? CE LYS 341 A 1 +ATOM 2585 N NZ LYS 341 . . A 1 5.582 75.995 79.230 1.00 27.83 ? NZ LYS 341 A 1 +ATOM 2586 N N ASP 342 . . A 1 9.896 73.931 81.115 1.00 11.84 ? N ASP 342 A 1 +ATOM 2587 C CA ASP 342 . . A 1 10.561 75.064 81.769 1.00 10.44 ? CA ASP 342 A 1 +ATOM 2588 C C ASP 342 . . A 1 11.803 74.749 82.550 1.00 11.23 ? C ASP 342 A 1 +ATOM 2589 O O ASP 342 . . A 1 12.316 75.581 83.279 1.00 11.16 ? O ASP 342 A 1 +ATOM 2590 C CB ASP 342 . . A 1 9.553 75.748 82.683 1.00 13.39 ? CB ASP 342 A 1 +ATOM 2591 C CG ASP 342 . . A 1 8.298 76.132 81.915 1.00 18.79 ? CG ASP 342 A 1 +ATOM 2592 O OD1 ASP 342 . . A 1 8.437 76.553 80.772 1.00 19.02 ? OD1 ASP 342 A 1 +ATOM 2593 O OD2 ASP 342 . . A 1 7.189 76.011 82.446 1.00 26.74 ? OD2 ASP 342 A 1 +ATOM 2594 N N SER 343 . . A 1 12.270 73.537 82.398 1.00 12.35 ? N SER 343 A 1 +ATOM 2595 C CA SER 343 . . A 1 13.432 73.038 83.083 1.00 13.1 ? CA SER 343 A 1 +ATOM 2596 C C SER 343 . . A 1 14.442 72.800 81.979 1.00 14.58 ? C SER 343 A 1 +ATOM 2597 O O SER 343 . . A 1 14.082 72.847 80.821 1.00 22.87 ? O SER 343 A 1 +ATOM 2598 C CB SER 343 . . A 1 12.901 71.703 83.628 1.00 9.72 ? CB SER 343 A 1 +ATOM 2599 O OG SER 343 . . A 1 13.862 70.896 84.288 1.00 24.12 ? OG SER 343 A 1 +ATOM 2600 N N GLU 344 . . A 1 15.701 72.514 82.304 1.00 12.45 ? N GLU 344 A 1 +ATOM 2601 C CA GLU 344 . . A 1 16.664 72.234 81.208 1.00 12.6 ? CA GLU 344 A 1 +ATOM 2602 C C GLU 344 . . A 1 16.839 70.723 81.029 1.00 14.76 ? C GLU 344 A 1 +ATOM 2603 O O GLU 344 . . A 1 17.855 70.186 80.595 1.00 12.18 ? O GLU 344 A 1 +ATOM 2604 C CB GLU 344 . . A 1 18.042 72.927 81.380 1.00 16.85 ? CB GLU 344 A 1 +ATOM 2605 C CG GLU 344 . . A 1 18.786 72.592 82.679 1.00 22.04 ? CG GLU 344 A 1 +ATOM 2606 N N SER 345 . . A 1 15.812 70.055 81.504 1.00 14.52 ? N SER 345 A 1 +ATOM 2607 C CA SER 345 . . A 1 15.761 68.621 81.409 1.00 17.55 ? CA SER 345 A 1 +ATOM 2608 C C SER 345 . . A 1 17.032 67.777 81.415 1.00 20.59 ? C SER 345 A 1 +ATOM 2609 O O SER 345 . . A 1 17.349 67.167 80.404 1.00 21.82 ? O SER 345 A 1 +ATOM 2610 C CB SER 345 . . A 1 14.978 68.355 80.137 1.00 16.43 ? CB SER 345 A 1 +ATOM 2611 O OG SER 345 . . A 1 13.731 69.049 80.314 1.00 18.13 ? OG SER 345 A 1 +ATOM 2612 N N LYS 346 . . A 1 17.716 67.723 82.579 1.00 21.86 ? N LYS 346 A 1 +ATOM 2613 C CA LYS 346 . . A 1 18.910 66.879 82.705 1.00 23.77 ? CA LYS 346 A 1 +ATOM 2614 C C LYS 346 . . A 1 18.369 65.497 83.043 1.00 25 ? C LYS 346 A 1 +ATOM 2615 O O LYS 346 . . A 1 17.660 65.332 84.033 1.00 29.16 ? O LYS 346 A 1 +ATOM 2616 C CB LYS 346 . . A 1 19.810 67.439 83.801 1.00 24.4 ? CB LYS 346 A 1 +ATOM 2617 C CG LYS 346 . . A 1 20.523 68.699 83.294 1.00 33.23 ? CG LYS 346 A 1 +ATOM 2618 C CD LYS 346 . . A 1 21.118 69.581 84.404 1.00 39.97 ? CD LYS 346 A 1 +ATOM 2619 C CE LYS 346 . . A 1 22.034 70.688 83.836 1.00 45.95 ? CE LYS 346 A 1 +ATOM 2620 N NZ LYS 346 . . A 1 21.742 71.993 84.410 1.00 51.42 ? NZ LYS 346 A 1 +ATOM 2621 N N ILE 347 . . A 1 18.678 64.494 82.229 1.00 25.23 ? N ILE 347 A 1 +ATOM 2622 C CA ILE 347 . . A 1 18.097 63.181 82.513 1.00 24.86 ? CA ILE 347 A 1 +ATOM 2623 C C ILE 347 . . A 1 19.087 62.314 83.248 1.00 24.84 ? C ILE 347 A 1 +ATOM 2624 O O ILE 347 . . A 1 20.276 62.293 82.982 1.00 25.36 ? O ILE 347 A 1 +ATOM 2625 C CB ILE 347 . . A 1 17.521 62.564 81.206 1.00 20.35 ? CB ILE 347 A 1 +ATOM 2626 C CG1 ILE 347 . . A 1 16.094 63.087 80.926 1.00 19.69 ? CG1 ILE 347 A 1 +ATOM 2627 C CG2 ILE 347 . . A 1 17.475 61.029 81.185 1.00 18.16 ? CG2 ILE 347 A 1 +ATOM 2628 C CD1 ILE 347 . . A 1 15.975 64.597 80.697 1.00 12.3 ? CD1 ILE 347 A 1 +ATOM 2629 N N SER 348 . . A 1 18.517 61.576 84.190 1.00 22.6 ? N SER 348 A 1 +ATOM 2630 C CA SER 348 . . A 1 19.280 60.669 85.023 1.00 22.96 ? CA SER 348 A 1 +ATOM 2631 C C SER 348 . . A 1 19.473 59.374 84.291 1.00 25.12 ? C SER 348 A 1 +ATOM 2632 O O SER 348 . . A 1 18.705 59.101 83.376 1.00 29.86 ? O SER 348 A 1 +ATOM 2633 C CB SER 348 . . A 1 18.412 60.381 86.270 1.00 22.94 ? CB SER 348 A 1 +ATOM 2634 O OG SER 348 . . A 1 17.043 60.109 85.921 1.00 21.81 ? OG SER 348 A 1 +ATOM 2635 N N ARG 349 . . A 1 20.421 58.520 84.727 1.00 26.78 ? N ARG 349 A 1 +ATOM 2636 C CA ARG 349 . . A 1 20.509 57.267 83.982 1.00 26.44 ? CA ARG 349 A 1 +ATOM 2637 C C ARG 349 . . A 1 19.252 56.469 84.092 1.00 23.3 ? C ARG 349 A 1 +ATOM 2638 O O ARG 349 . . A 1 18.958 55.655 83.241 1.00 23.92 ? O ARG 349 A 1 +ATOM 2639 C CB ARG 349 . . A 1 21.692 56.337 84.303 1.00 28.34 ? CB ARG 349 A 1 +ATOM 2640 C CG ARG 349 . . A 1 23.027 56.810 83.672 1.00 39.36 ? CG ARG 349 A 1 +ATOM 2641 C CD ARG 349 . . A 1 23.038 57.123 82.138 1.00 42.13 ? CD ARG 349 A 1 +ATOM 2642 N NE ARG 349 . . A 1 23.855 56.244 81.299 1.00 42.13 ? NE ARG 349 A 1 +ATOM 2643 C CZ ARG 349 . . A 1 23.557 54.954 81.069 1.00 43.18 ? CZ ARG 349 A 1 +ATOM 2644 N NH1 ARG 349 . . A 1 22.555 54.338 81.691 1.00 44.85 ? NH1 ARG 349 A 1 +ATOM 2645 N NH2 ARG 349 . . A 1 24.288 54.268 80.201 1.00 43.64 ? NH2 ARG 349 A 1 +ATOM 2646 N N GLU 350 . . A 1 18.488 56.699 85.144 1.00 26.9 ? N GLU 350 A 1 +ATOM 2647 C CA GLU 350 . . A 1 17.263 55.911 85.222 1.00 31.45 ? CA GLU 350 A 1 +ATOM 2648 C C GLU 350 . . A 1 16.301 56.334 84.127 1.00 30.75 ? C GLU 350 A 1 +ATOM 2649 O O GLU 350 . . A 1 15.825 55.539 83.332 1.00 33.01 ? O GLU 350 A 1 +ATOM 2650 C CB GLU 350 . . A 1 16.599 55.970 86.622 1.00 35.7 ? CB GLU 350 A 1 +ATOM 2651 C CG GLU 350 . . A 1 15.595 54.810 86.857 1.00 42.44 ? CG GLU 350 A 1 +ATOM 2652 N N ASP 351 . . A 1 16.039 57.637 84.077 1.00 29.4 ? N ASP 351 A 1 +ATOM 2653 C CA ASP 351 . . A 1 15.114 58.079 83.044 1.00 28.05 ? CA ASP 351 A 1 +ATOM 2654 C C ASP 351 . . A 1 15.675 57.927 81.642 1.00 27.22 ? C ASP 351 A 1 +ATOM 2655 O O ASP 351 . . A 1 14.950 57.870 80.655 1.00 30.6 ? O ASP 351 A 1 +ATOM 2656 C CB ASP 351 . . A 1 14.650 59.510 83.302 1.00 28.99 ? CB ASP 351 A 1 +ATOM 2657 C CG ASP 351 . . A 1 13.711 59.620 84.492 1.00 28.45 ? CG ASP 351 A 1 +ATOM 2658 O OD1 ASP 351 . . A 1 12.964 58.665 84.744 1.00 26.02 ? OD1 ASP 351 A 1 +ATOM 2659 O OD2 ASP 351 . . A 1 13.732 60.665 85.149 1.00 27.93 ? OD2 ASP 351 A 1 +ATOM 2660 N N PHE 352 . . A 1 17.001 57.870 81.560 1.00 24.01 ? N PHE 352 A 1 +ATOM 2661 C CA PHE 352 . . A 1 17.655 57.687 80.279 1.00 19.62 ? CA PHE 352 A 1 +ATOM 2662 C C PHE 352 . . A 1 17.260 56.333 79.769 1.00 19.15 ? C PHE 352 A 1 +ATOM 2663 O O PHE 352 . . A 1 16.744 56.171 78.675 1.00 25.45 ? O PHE 352 A 1 +ATOM 2664 C CB PHE 352 . . A 1 19.180 57.737 80.436 1.00 18.2 ? CB PHE 352 A 1 +ATOM 2665 C CG PHE 352 . . A 1 19.923 57.384 79.172 1.00 18.83 ? CG PHE 352 A 1 +ATOM 2666 C CD1 PHE 352 . . A 1 20.242 58.377 78.231 1.00 21.32 ? CD1 PHE 352 A 1 +ATOM 2667 C CD2 PHE 352 . . A 1 20.326 56.058 78.941 1.00 15.96 ? CD2 PHE 352 A 1 +ATOM 2668 C CE1 PHE 352 . . A 1 20.986 58.048 77.086 1.00 21.96 ? CE1 PHE 352 A 1 +ATOM 2669 C CE2 PHE 352 . . A 1 21.057 55.728 77.794 1.00 14.3 ? CE2 PHE 352 A 1 +ATOM 2670 C CZ PHE 352 . . A 1 21.399 56.724 76.869 1.00 18.25 ? CZ PHE 352 A 1 +ATOM 2671 N N MET 353 . . A 1 17.487 55.335 80.612 1.00 17.09 ? N MET 353 A 1 +ATOM 2672 C CA MET 353 . . A 1 17.134 53.996 80.193 1.00 18.52 ? CA MET 353 A 1 +ATOM 2673 C C MET 353 . . A 1 15.644 53.840 79.978 1.00 20.49 ? C MET 353 A 1 +ATOM 2674 O O MET 353 . . A 1 15.198 53.013 79.189 1.00 19.81 ? O MET 353 A 1 +ATOM 2675 C CB MET 353 . . A 1 17.754 52.953 81.110 1.00 19.65 ? CB MET 353 A 1 +ATOM 2676 C CG MET 353 . . A 1 19.295 53.119 81.050 1.00 18.12 ? CG MET 353 A 1 +ATOM 2677 N N SER 354 . . A 1 14.859 54.645 80.703 1.00 22.71 ? N SER 354 A 1 +ATOM 2678 C CA SER 354 . . A 1 13.424 54.538 80.475 1.00 25.84 ? CA SER 354 A 1 +ATOM 2679 C C SER 354 . . A 1 13.094 55.109 79.090 1.00 25.87 ? C SER 354 A 1 +ATOM 2680 O O SER 354 . . A 1 12.221 54.666 78.352 1.00 28.42 ? O SER 354 A 1 +ATOM 2681 C CB SER 354 . . A 1 12.633 55.339 81.526 1.00 27.61 ? CB SER 354 A 1 +ATOM 2682 O OG SER 354 . . A 1 13.050 55.077 82.868 1.00 35.58 ? OG SER 354 A 1 +ATOM 2683 N N GLY 355 . . A 1 13.847 56.145 78.754 1.00 23.04 ? N GLY 355 A 1 +ATOM 2684 C CA GLY 355 . . A 1 13.632 56.789 77.491 1.00 20.76 ? CA GLY 355 A 1 +ATOM 2685 C C GLY 355 . . A 1 13.913 55.887 76.330 1.00 20.74 ? C GLY 355 A 1 +ATOM 2686 O O GLY 355 . . A 1 13.065 55.716 75.465 1.00 20.96 ? O GLY 355 A 1 +ATOM 2687 N N VAL 356 . . A 1 15.118 55.281 76.330 1.00 16.58 ? N VAL 356 A 1 +ATOM 2688 C CA VAL 356 . . A 1 15.436 54.406 75.221 1.00 12.8 ? CA VAL 356 A 1 +ATOM 2689 C C VAL 356 . . A 1 14.445 53.285 75.072 1.00 12.89 ? C VAL 356 A 1 +ATOM 2690 O O VAL 356 . . A 1 14.189 52.860 73.962 1.00 20.26 ? O VAL 356 A 1 +ATOM 2691 C CB VAL 356 . . A 1 16.919 53.999 75.178 1.00 15.13 ? CB VAL 356 A 1 +ATOM 2692 C CG1 VAL 356 . . A 1 17.576 53.882 76.541 1.00 11.98 ? CG1 VAL 356 A 1 +ATOM 2693 C CG2 VAL 356 . . A 1 17.220 52.742 74.320 1.00 16.47 ? CG2 VAL 356 A 1 +ATOM 2694 N N LYS 357 . . A 1 13.868 52.798 76.158 1.00 17.12 ? N LYS 357 A 1 +ATOM 2695 C CA LYS 357 . . A 1 12.876 51.743 75.975 1.00 18.3 ? CA LYS 357 A 1 +ATOM 2696 C C LYS 357 . . A 1 11.719 52.291 75.167 1.00 16.64 ? C LYS 357 A 1 +ATOM 2697 O O LYS 357 . . A 1 11.169 51.615 74.316 1.00 20.77 ? O LYS 357 A 1 +ATOM 2698 C CB LYS 357 . . A 1 12.315 51.214 77.311 1.00 23.65 ? CB LYS 357 A 1 +ATOM 2699 C CG LYS 357 . . A 1 13.340 50.427 78.147 1.00 34.69 ? CG LYS 357 A 1 +ATOM 2700 C CD LYS 357 . . A 1 12.893 49.065 78.757 1.00 48.38 ? CD LYS 357 A 1 +ATOM 2701 C CE LYS 357 . . A 1 11.495 48.500 78.390 1.00 53.77 ? CE LYS 357 A 1 +ATOM 2702 N NZ LYS 357 . . A 1 11.366 48.161 76.970 1.00 58.39 ? NZ LYS 357 A 1 +ATOM 2703 N N LEU 358 . . A 1 11.354 53.539 75.448 1.00 16.56 ? N LEU 358 A 1 +ATOM 2704 C CA LEU 358 . . A 1 10.239 54.119 74.705 1.00 16.67 ? CA LEU 358 A 1 +ATOM 2705 C C LEU 358 . . A 1 10.595 54.389 73.255 1.00 19.85 ? C LEU 358 A 1 +ATOM 2706 O O LEU 358 . . A 1 9.729 54.354 72.389 1.00 26.58 ? O LEU 358 A 1 +ATOM 2707 C CB LEU 358 . . A 1 9.796 55.471 75.298 1.00 7.56 ? CB LEU 358 A 1 +ATOM 2708 C CG LEU 358 . . A 1 9.274 55.385 76.723 1.00 2 ? CG LEU 358 A 1 +ATOM 2709 C CD1 LEU 358 . . A 1 9.116 56.780 77.314 1.00 2 ? CD1 LEU 358 A 1 +ATOM 2710 C CD2 LEU 358 . . A 1 7.937 54.652 76.758 1.00 2 ? CD2 LEU 358 A 1 +ATOM 2711 N N SER 359 . . A 1 11.862 54.715 73.003 1.00 17.69 ? N SER 359 A 1 +ATOM 2712 C CA SER 359 . . A 1 12.256 54.998 71.638 1.00 15.36 ? CA SER 359 A 1 +ATOM 2713 C C SER 359 . . A 1 12.405 53.770 70.792 1.00 16.54 ? C SER 359 A 1 +ATOM 2714 O O SER 359 . . A 1 12.192 53.833 69.594 1.00 22.9 ? O SER 359 A 1 +ATOM 2715 C CB SER 359 . . A 1 13.594 55.739 71.579 1.00 13.6 ? CB SER 359 A 1 +ATOM 2716 O OG SER 359 . . A 1 13.573 56.801 72.535 1.00 20.22 ? OG SER 359 A 1 +ATOM 2717 N N VAL 360 . . A 1 12.759 52.645 71.391 1.00 11.65 ? N VAL 360 A 1 +ATOM 2718 C CA VAL 360 . . A 1 12.944 51.481 70.561 1.00 9.46 ? CA VAL 360 A 1 +ATOM 2719 C C VAL 360 . . A 1 11.964 50.393 70.960 1.00 12.11 ? C VAL 360 A 1 +ATOM 2720 O O VAL 360 . . A 1 12.368 49.333 71.408 1.00 16.36 ? O VAL 360 A 1 +ATOM 2721 C CB VAL 360 . . A 1 14.434 51.063 70.661 1.00 9.14 ? CB VAL 360 A 1 +ATOM 2722 C CG1 VAL 360 . . A 1 14.841 50.178 69.466 1.00 10.89 ? CG1 VAL 360 A 1 +ATOM 2723 C CG2 VAL 360 . . A 1 15.367 52.292 70.691 1.00 10.29 ? CG2 VAL 360 A 1 +ATOM 2724 N N PRO 361 . . A 1 10.655 50.620 70.779 1.00 15.18 ? N PRO 361 A 1 +ATOM 2725 C CA PRO 361 . . A 1 9.654 49.694 71.335 1.00 15.98 ? CA PRO 361 A 1 +ATOM 2726 C C PRO 361 . . A 1 9.757 48.242 70.921 1.00 19.48 ? C PRO 361 A 1 +ATOM 2727 O O PRO 361 . . A 1 9.177 47.348 71.504 1.00 23.85 ? O PRO 361 A 1 +ATOM 2728 C CB PRO 361 . . A 1 8.306 50.273 70.880 1.00 11.55 ? CB PRO 361 A 1 +ATOM 2729 C CG PRO 361 . . A 1 8.642 51.317 69.810 1.00 12.75 ? CG PRO 361 A 1 +ATOM 2730 C CD PRO 361 . . A 1 10.084 51.755 70.062 1.00 14.4 ? CD PRO 361 A 1 +ATOM 2731 N N HIS 362 . . A 1 10.477 48.020 69.845 1.00 25.44 ? N HIS 362 A 1 +ATOM 2732 C CA HIS 362 . . A 1 10.623 46.670 69.321 1.00 29.48 ? CA HIS 362 A 1 +ATOM 2733 C C HIS 362 . . A 1 11.939 46.025 69.693 1.00 30.3 ? C HIS 362 A 1 +ATOM 2734 O O HIS 362 . . A 1 12.196 44.881 69.334 1.00 34.95 ? O HIS 362 A 1 +ATOM 2735 C CB HIS 362 . . A 1 10.507 46.696 67.769 1.00 35.06 ? CB HIS 362 A 1 +ATOM 2736 C CG HIS 362 . . A 1 11.270 47.870 67.165 1.00 36.68 ? CG HIS 362 A 1 +ATOM 2737 N ND1 HIS 362 . . A 1 10.727 49.092 66.938 1.00 35.63 ? ND1 HIS 362 A 1 +ATOM 2738 C CD2 HIS 362 . . A 1 12.633 47.919 66.802 1.00 35.92 ? CD2 HIS 362 A 1 +ATOM 2739 C CE1 HIS 362 . . A 1 11.710 49.868 66.466 1.00 36.94 ? CE1 HIS 362 A 1 +ATOM 2740 N NE2 HIS 362 . . A 1 12.865 49.175 66.382 1.00 39.26 ? NE2 HIS 362 A 1 +ATOM 2741 N N ALA 363 . . A 1 12.812 46.774 70.361 1.00 25.05 ? N ALA 363 A 1 +ATOM 2742 C CA ALA 363 . . A 1 14.062 46.133 70.675 1.00 24.3 ? CA ALA 363 A 1 +ATOM 2743 C C ALA 363 . . A 1 13.848 45.186 71.823 1.00 26.94 ? C ALA 363 A 1 +ATOM 2744 O O ALA 363 . . A 1 12.951 45.319 72.646 1.00 27.66 ? O ALA 363 A 1 +ATOM 2745 C CB ALA 363 . . A 1 15.134 47.133 71.121 1.00 24.12 ? CB ALA 363 A 1 +ATOM 2746 N N ASN 364 . . A 1 14.749 44.213 71.849 1.00 25.62 ? N ASN 364 A 1 +ATOM 2747 C CA ASN 364 . . A 1 14.758 43.232 72.908 1.00 22.62 ? CA ASN 364 A 1 +ATOM 2748 C C ASN 364 . . A 1 15.867 43.752 73.798 1.00 24.4 ? C ASN 364 A 1 +ATOM 2749 O O ASN 364 . . A 1 16.571 44.705 73.484 1.00 24.24 ? O ASN 364 A 1 +ATOM 2750 C CB ASN 364 . . A 1 15.012 41.792 72.399 1.00 23.27 ? CB ASN 364 A 1 +ATOM 2751 C CG ASN 364 . . A 1 16.304 41.675 71.630 1.00 23.08 ? CG ASN 364 A 1 +ATOM 2752 O OD1 ASN 364 . . A 1 17.141 42.556 71.718 1.00 28.93 ? OD1 ASN 364 A 1 +ATOM 2753 N ND2 ASN 364 . . A 1 16.476 40.606 70.870 1.00 23.88 ? ND2 ASN 364 A 1 +ATOM 2754 N N ASP 365 . . A 1 16.056 43.061 74.917 1.00 27.48 ? N ASP 365 A 1 +ATOM 2755 C CA ASP 365 . . A 1 17.081 43.472 75.882 1.00 25.27 ? CA ASP 365 A 1 +ATOM 2756 C C ASP 365 . . A 1 18.430 43.730 75.275 1.00 25.82 ? C ASP 365 A 1 +ATOM 2757 O O ASP 365 . . A 1 19.141 44.680 75.568 1.00 28.02 ? O ASP 365 A 1 +ATOM 2758 C CB ASP 365 . . A 1 17.372 42.372 76.914 1.00 26.63 ? CB ASP 365 A 1 +ATOM 2759 N N LEU 366 . . A 1 18.782 42.827 74.380 1.00 23.27 ? N LEU 366 A 1 +ATOM 2760 C CA LEU 366 . . A 1 20.075 42.962 73.762 1.00 21.37 ? CA LEU 366 A 1 +ATOM 2761 C C LEU 366 . . A 1 20.147 44.191 72.883 1.00 21.66 ? C LEU 366 A 1 +ATOM 2762 O O LEU 366 . . A 1 21.144 44.898 72.806 1.00 22.93 ? O LEU 366 A 1 +ATOM 2763 C CB LEU 366 . . A 1 20.344 41.690 72.966 1.00 22.53 ? CB LEU 366 A 1 +ATOM 2764 C CG LEU 366 . . A 1 21.729 41.107 73.176 1.00 21.41 ? CG LEU 366 A 1 +ATOM 2765 C CD1 LEU 366 . . A 1 21.853 39.905 72.247 1.00 26.47 ? CD1 LEU 366 A 1 +ATOM 2766 C CD2 LEU 366 . . A 1 22.850 42.138 72.963 1.00 22.36 ? CD2 LEU 366 A 1 +ATOM 2767 N N GLY 367 . . A 1 19.025 44.444 72.229 1.00 18.78 ? N GLY 367 A 1 +ATOM 2768 C CA GLY 367 . . A 1 18.936 45.581 71.345 1.00 20.09 ? CA GLY 367 A 1 +ATOM 2769 C C GLY 367 . . A 1 19.094 46.861 72.104 1.00 19.16 ? C GLY 367 A 1 +ATOM 2770 O O GLY 367 . . A 1 19.884 47.713 71.725 1.00 17.49 ? O GLY 367 A 1 +ATOM 2771 N N LEU 368 . . A 1 18.342 46.960 73.218 1.00 19.69 ? N LEU 368 A 1 +ATOM 2772 C CA LEU 368 . . A 1 18.410 48.152 74.058 1.00 18.37 ? CA LEU 368 A 1 +ATOM 2773 C C LEU 368 . . A 1 19.844 48.330 74.525 1.00 18.27 ? C LEU 368 A 1 +ATOM 2774 O O LEU 368 . . A 1 20.426 49.409 74.485 1.00 15.58 ? O LEU 368 A 1 +ATOM 2775 C CB LEU 368 . . A 1 17.438 48.068 75.248 1.00 21.93 ? CB LEU 368 A 1 +ATOM 2776 C CG LEU 368 . . A 1 15.933 48.026 74.877 1.00 25.14 ? CG LEU 368 A 1 +ATOM 2777 C CD1 LEU 368 . . A 1 15.070 47.567 76.053 1.00 22.66 ? CD1 LEU 368 A 1 +ATOM 2778 C CD2 LEU 368 . . A 1 15.401 49.388 74.386 1.00 26.92 ? CD2 LEU 368 A 1 +ATOM 2779 N N ASP 369 . . A 1 20.428 47.189 74.923 1.00 18.38 ? N ASP 369 A 1 +ATOM 2780 C CA ASP 369 . . A 1 21.827 47.226 75.362 1.00 19.79 ? CA ASP 369 A 1 +ATOM 2781 C C ASP 369 . . A 1 22.745 47.793 74.289 1.00 19.98 ? C ASP 369 A 1 +ATOM 2782 O O ASP 369 . . A 1 23.653 48.575 74.568 1.00 20.06 ? O ASP 369 A 1 +ATOM 2783 C CB ASP 369 . . A 1 22.362 45.826 75.703 1.00 20.42 ? CB ASP 369 A 1 +ATOM 2784 C CG ASP 369 . . A 1 22.133 45.388 77.141 1.00 25.81 ? CG ASP 369 A 1 +ATOM 2785 O OD1 ASP 369 . . A 1 21.345 46.014 77.858 1.00 28.18 ? OD1 ASP 369 A 1 +ATOM 2786 O OD2 ASP 369 . . A 1 22.771 44.415 77.545 1.00 28.77 ? OD2 ASP 369 A 1 +ATOM 2787 N N ALA 370 . . A 1 22.475 47.355 73.042 1.00 19.57 ? N ALA 370 A 1 +ATOM 2788 C CA ALA 370 . . A 1 23.252 47.794 71.903 1.00 12.88 ? CA ALA 370 A 1 +ATOM 2789 C C ALA 370 . . A 1 23.109 49.283 71.682 1.00 13.98 ? C ALA 370 A 1 +ATOM 2790 O O ALA 370 . . A 1 24.088 49.947 71.360 1.00 17.14 ? O ALA 370 A 1 +ATOM 2791 C CB ALA 370 . . A 1 22.849 47.031 70.655 1.00 10.17 ? CB ALA 370 A 1 +ATOM 2792 N N VAL 371 . . A 1 21.890 49.808 71.859 1.00 13.39 ? N VAL 371 A 1 +ATOM 2793 C CA VAL 371 . . A 1 21.688 51.248 71.663 1.00 13.99 ? CA VAL 371 A 1 +ATOM 2794 C C VAL 371 . . A 1 22.480 52.053 72.704 1.00 14.95 ? C VAL 371 A 1 +ATOM 2795 O O VAL 371 . . A 1 23.202 52.998 72.393 1.00 18.4 ? O VAL 371 A 1 +ATOM 2796 C CB VAL 371 . . A 1 20.179 51.599 71.742 1.00 13.56 ? CB VAL 371 A 1 +ATOM 2797 C CG1 VAL 371 . . A 1 19.924 53.103 71.535 1.00 9.32 ? CG1 VAL 371 A 1 +ATOM 2798 C CG2 VAL 371 . . A 1 19.330 50.764 70.762 1.00 6.6 ? CG2 VAL 371 A 1 +ATOM 2799 N N THR 372 . . A 1 22.316 51.663 73.967 1.00 14.34 ? N THR 372 A 1 +ATOM 2800 C CA THR 372 . . A 1 23.003 52.331 75.058 1.00 13.68 ? CA THR 372 A 1 +ATOM 2801 C C THR 372 . . A 1 24.507 52.355 74.841 1.00 12.35 ? C THR 372 A 1 +ATOM 2802 O O THR 372 . . A 1 25.194 53.339 75.056 1.00 9.76 ? O THR 372 A 1 +ATOM 2803 C CB THR 372 . . A 1 22.682 51.541 76.319 1.00 18.11 ? CB THR 372 A 1 +ATOM 2804 O OG1 THR 372 . . A 1 21.272 51.359 76.415 1.00 21.72 ? OG1 THR 372 A 1 +ATOM 2805 C CG2 THR 372 . . A 1 23.187 52.181 77.614 1.00 26.75 ? CG2 THR 372 A 1 +ATOM 2806 N N LEU 373 . . A 1 25.014 51.219 74.372 1.00 12.03 ? N LEU 373 A 1 +ATOM 2807 C CA LEU 373 . . A 1 26.438 51.164 74.118 1.00 12.19 ? CA LEU 373 A 1 +ATOM 2808 C C LEU 373 . . A 1 26.899 52.318 73.242 1.00 15.5 ? C LEU 373 A 1 +ATOM 2809 O O LEU 373 . . A 1 27.837 53.027 73.567 1.00 15.29 ? O LEU 373 A 1 +ATOM 2810 C CB LEU 373 . . A 1 26.804 49.835 73.429 1.00 9.08 ? CB LEU 373 A 1 +ATOM 2811 C CG LEU 373 . . A 1 28.225 49.330 73.745 1.00 11.38 ? CG LEU 373 A 1 +ATOM 2812 C CD1 LEU 373 . . A 1 28.554 48.051 72.978 1.00 14.39 ? CD1 LEU 373 A 1 +ATOM 2813 C CD2 LEU 373 . . A 1 29.337 50.350 73.488 1.00 17.82 ? CD2 LEU 373 A 1 +ATOM 2814 N N GLN 374 . . A 1 26.163 52.495 72.132 1.00 20.44 ? N GLN 374 A 1 +ATOM 2815 C CA GLN 374 . . A 1 26.528 53.529 71.166 1.00 21.57 ? CA GLN 374 A 1 +ATOM 2816 C C GLN 374 . . A 1 26.289 54.941 71.597 1.00 22.18 ? C GLN 374 A 1 +ATOM 2817 O O GLN 374 . . A 1 27.070 55.833 71.300 1.00 23 ? O GLN 374 A 1 +ATOM 2818 C CB GLN 374 . . A 1 25.739 53.401 69.848 1.00 24.24 ? CB GLN 374 A 1 +ATOM 2819 C CG GLN 374 . . A 1 25.628 51.987 69.285 1.00 33.24 ? CG GLN 374 A 1 +ATOM 2820 C CD GLN 374 . . A 1 26.957 51.458 68.790 1.00 39.05 ? CD GLN 374 A 1 +ATOM 2821 O OE1 GLN 374 . . A 1 27.753 52.173 68.192 1.00 42.09 ? OE1 GLN 374 A 1 +ATOM 2822 N NE2 GLN 374 . . A 1 27.159 50.156 69.011 1.00 39.02 ? NE2 GLN 374 A 1 +ATOM 2823 N N TYR 375 . . A 1 25.159 55.138 72.272 1.00 20.75 ? N TYR 375 A 1 +ATOM 2824 C CA TYR 375 . . A 1 24.832 56.505 72.658 1.00 22.88 ? CA TYR 375 A 1 +ATOM 2825 C C TYR 375 . . A 1 25.365 56.972 74.005 1.00 25.42 ? C TYR 375 A 1 +ATOM 2826 O O TYR 375 . . A 1 25.221 58.143 74.345 1.00 26.36 ? O TYR 375 A 1 +ATOM 2827 C CB TYR 375 . . A 1 23.308 56.706 72.501 1.00 22.55 ? CB TYR 375 A 1 +ATOM 2828 C CG TYR 375 . . A 1 22.939 56.796 71.029 1.00 24.01 ? CG TYR 375 A 1 +ATOM 2829 C CD1 TYR 375 . . A 1 22.995 58.053 70.382 1.00 21.13 ? CD1 TYR 375 A 1 +ATOM 2830 C CD2 TYR 375 . . A 1 22.608 55.639 70.277 1.00 20.1 ? CD2 TYR 375 A 1 +ATOM 2831 C CE1 TYR 375 . . A 1 22.734 58.162 69.013 1.00 16.38 ? CE1 TYR 375 A 1 +ATOM 2832 C CE2 TYR 375 . . A 1 22.344 55.752 68.898 1.00 13.81 ? CE2 TYR 375 A 1 +ATOM 2833 C CZ TYR 375 . . A 1 22.400 57.021 68.275 1.00 17.25 ? CZ TYR 375 A 1 +ATOM 2834 O OH TYR 375 . . A 1 22.110 57.194 66.939 1.00 18.33 ? OH TYR 375 A 1 +ATOM 2835 N N THR 376 . . A 1 25.972 56.094 74.795 1.00 27.14 ? N THR 376 A 1 +ATOM 2836 C CA THR 376 . . A 1 26.466 56.558 76.079 1.00 26.81 ? CA THR 376 A 1 +ATOM 2837 C C THR 376 . . A 1 27.950 56.896 76.026 1.00 30 ? C THR 376 A 1 +ATOM 2838 O O THR 376 . . A 1 28.788 56.256 75.401 1.00 32.19 ? O THR 376 A 1 +ATOM 2839 C CB THR 376 . . A 1 26.248 55.429 77.102 1.00 24.27 ? CB THR 376 A 1 +ATOM 2840 O OG1 THR 376 . . A 1 24.848 55.183 77.221 1.00 26.14 ? OG1 THR 376 A 1 +ATOM 2841 C CG2 THR 376 . . A 1 26.772 55.689 78.525 1.00 26.13 ? CG2 THR 376 A 1 +ATOM 2842 N N ASP 377 . . A 1 28.267 57.974 76.756 1.00 32.9 ? N ASP 377 A 1 +ATOM 2843 C CA ASP 377 . . A 1 29.663 58.373 76.884 1.00 33.12 ? CA ASP 377 A 1 +ATOM 2844 C C ASP 377 . . A 1 30.088 57.620 78.138 1.00 33.75 ? C ASP 377 A 1 +ATOM 2845 O O ASP 377 . . A 1 29.853 58.093 79.246 1.00 35.52 ? O ASP 377 A 1 +ATOM 2846 C CB ASP 377 . . A 1 29.821 59.888 77.099 1.00 29.45 ? CB ASP 377 A 1 +ATOM 2847 C CG ASP 377 . . A 1 31.259 60.278 77.411 1.00 32.39 ? CG ASP 377 A 1 +ATOM 2848 O OD1 ASP 377 . . A 1 32.052 59.407 77.779 1.00 31.09 ? OD1 ASP 377 A 1 +ATOM 2849 O OD2 ASP 377 . . A 1 31.587 61.456 77.284 1.00 36.13 ? OD2 ASP 377 A 1 +ATOM 2850 N N TRP 378 . . A 1 30.724 56.467 77.964 1.00 33.67 ? N TRP 378 A 1 +ATOM 2851 C CA TRP 378 . . A 1 31.115 55.677 79.118 1.00 32.74 ? CA TRP 378 A 1 +ATOM 2852 C C TRP 378 . . A 1 32.033 56.368 80.072 1.00 35.4 ? C TRP 378 A 1 +ATOM 2853 O O TRP 378 . . A 1 32.005 56.047 81.250 1.00 38.33 ? O TRP 378 A 1 +ATOM 2854 C CB TRP 378 . . A 1 31.630 54.292 78.729 1.00 34.03 ? CB TRP 378 A 1 +ATOM 2855 C CG TRP 378 . . A 1 30.471 53.588 78.076 1.00 34.63 ? CG TRP 378 A 1 +ATOM 2856 C CD1 TRP 378 . . A 1 30.183 53.518 76.694 1.00 35.42 ? CD1 TRP 378 A 1 +ATOM 2857 C CD2 TRP 378 . . A 1 29.417 52.973 78.756 1.00 33.28 ? CD2 TRP 378 A 1 +ATOM 2858 N NE1 TRP 378 . . A 1 29.000 52.899 76.494 1.00 35.74 ? NE1 TRP 378 A 1 +ATOM 2859 C CE2 TRP 378 . . A 1 28.471 52.533 77.709 1.00 34.52 ? CE2 TRP 378 A 1 +ATOM 2860 C CE3 TRP 378 . . A 1 29.112 52.790 80.102 1.00 32.54 ? CE3 TRP 378 A 1 +ATOM 2861 C CZ2 TRP 378 . . A 1 27.263 51.928 78.090 1.00 33.96 ? CZ2 TRP 378 A 1 +ATOM 2862 C CZ3 TRP 378 . . A 1 27.891 52.181 80.439 1.00 37.5 ? CZ3 TRP 378 A 1 +ATOM 2863 C CH2 TRP 378 . . A 1 26.978 51.757 79.451 1.00 33.89 ? CH2 TRP 378 A 1 +ATOM 2864 N N MET 379 . . A 1 32.825 57.343 79.609 1.00 35.43 ? N MET 379 A 1 +ATOM 2865 C CA MET 379 . . A 1 33.697 58.015 80.583 1.00 38.11 ? CA MET 379 A 1 +ATOM 2866 C C MET 379 . . A 1 33.006 59.171 81.323 1.00 37.63 ? C MET 379 A 1 +ATOM 2867 O O MET 379 . . A 1 33.621 60.030 81.937 1.00 37.01 ? O MET 379 A 1 +ATOM 2868 C CB MET 379 . . A 1 34.997 58.503 79.946 1.00 39.47 ? CB MET 379 A 1 +ATOM 2869 C CG MET 379 . . A 1 36.089 58.677 81.013 1.00 48.58 ? CG MET 379 A 1 +ATOM 2870 S SD MET 379 . . A 1 37.630 59.176 80.217 1.00 60.48 ? SD MET 379 A 1 +ATOM 2871 C CE MET 379 . . A 1 38.186 57.574 79.529 1.00 60.32 ? CE MET 379 A 1 +ATOM 2872 N N ASP 380 . . A 1 31.684 59.210 81.242 1.00 37.26 ? N ASP 380 A 1 +ATOM 2873 C CA ASP 380 . . A 1 30.950 60.276 81.901 1.00 35.2 ? CA ASP 380 A 1 +ATOM 2874 C C ASP 380 . . A 1 29.496 59.852 82.031 1.00 36.78 ? C ASP 380 A 1 +ATOM 2875 O O ASP 380 . . A 1 28.558 60.633 82.001 1.00 36.31 ? O ASP 380 A 1 +ATOM 2876 C CB ASP 380 . . A 1 31.085 61.573 81.080 1.00 37.41 ? CB ASP 380 A 1 +ATOM 2877 C CG ASP 380 . . A 1 30.946 62.833 81.916 1.00 42.24 ? CG ASP 380 A 1 +ATOM 2878 O OD1 ASP 380 . . A 1 30.115 62.841 82.818 1.00 44.95 ? OD1 ASP 380 A 1 +ATOM 2879 O OD2 ASP 380 . . A 1 31.680 63.796 81.681 1.00 46.59 ? OD2 ASP 380 A 1 +ATOM 2880 N N ASP 381 . . A 1 29.362 58.537 82.159 1.00 39.63 ? N ASP 381 A 1 +ATOM 2881 C CA ASP 381 . . A 1 28.137 57.774 82.303 1.00 41.26 ? CA ASP 381 A 1 +ATOM 2882 C C ASP 381 . . A 1 26.898 58.498 82.853 1.00 40.3 ? C ASP 381 A 1 +ATOM 2883 O O ASP 381 . . A 1 25.862 58.482 82.204 1.00 41.14 ? O ASP 381 A 1 +ATOM 2884 C CB ASP 381 . . A 1 28.520 56.477 83.058 1.00 44.63 ? CB ASP 381 A 1 +ATOM 2885 C CG ASP 381 . . A 1 27.429 55.697 83.761 1.00 53.35 ? CG ASP 381 A 1 +ATOM 2886 O OD1 ASP 381 . . A 1 26.283 55.738 83.316 1.00 56.74 ? OD1 ASP 381 A 1 +ATOM 2887 O OD2 ASP 381 . . A 1 27.743 55.043 84.760 1.00 59.44 ? OD2 ASP 381 A 1 +ATOM 2888 N N ASN 382 . . A 1 27.006 59.118 84.031 1.00 42.03 ? N ASN 382 A 1 +ATOM 2889 C CA ASN 382 . . A 1 25.865 59.779 84.670 1.00 41.65 ? CA ASN 382 A 1 +ATOM 2890 C C ASN 382 . . A 1 25.642 61.248 84.350 1.00 42 ? C ASN 382 A 1 +ATOM 2891 O O ASN 382 . . A 1 24.947 61.916 85.107 1.00 45.11 ? O ASN 382 A 1 +ATOM 2892 C CB ASN 382 . . A 1 26.124 59.744 86.202 1.00 39.34 ? CB ASN 382 A 1 +ATOM 2893 N N ASN 383 . . A 1 26.225 61.785 83.267 1.00 41.46 ? N ASN 383 A 1 +ATOM 2894 C CA ASN 383 . . A 1 26.010 63.225 83.006 1.00 35.71 ? CA ASN 383 A 1 +ATOM 2895 C C ASN 383 . . A 1 24.620 63.545 82.472 1.00 33.59 ? C ASN 383 A 1 +ATOM 2896 O O ASN 383 . . A 1 24.279 63.254 81.336 1.00 38.41 ? O ASN 383 A 1 +ATOM 2897 C CB ASN 383 . . A 1 27.083 63.795 82.076 1.00 31.38 ? CB ASN 383 A 1 +ATOM 2898 C CG ASN 383 . . A 1 26.928 65.278 81.831 1.00 32.86 ? CG ASN 383 A 1 +ATOM 2899 O OD1 ASN 383 . . A 1 25.842 65.826 81.848 1.00 35.62 ? OD1 ASN 383 A 1 +ATOM 2900 N ND2 ASN 383 . . A 1 28.040 65.962 81.597 1.00 33.67 ? ND2 ASN 383 A 1 +ATOM 2901 N N GLY 384 . . A 1 23.850 64.252 83.289 1.00 30.8 ? N GLY 384 A 1 +ATOM 2902 C CA GLY 384 . . A 1 22.496 64.597 82.893 1.00 27.25 ? CA GLY 384 A 1 +ATOM 2903 C C GLY 384 . . A 1 22.328 65.341 81.593 1.00 22.82 ? C GLY 384 A 1 +ATOM 2904 O O GLY 384 . . A 1 21.356 65.150 80.884 1.00 24.91 ? O GLY 384 A 1 +ATOM 2905 N N ILE 385 . . A 1 23.257 66.223 81.275 1.00 19.5 ? N ILE 385 A 1 +ATOM 2906 C CA ILE 385 . . A 1 23.151 66.941 80.018 1.00 21.44 ? CA ILE 385 A 1 +ATOM 2907 C C ILE 385 . . A 1 23.415 65.938 78.883 1.00 21.19 ? C ILE 385 A 1 +ATOM 2908 O O ILE 385 . . A 1 22.682 65.776 77.911 1.00 22.17 ? O ILE 385 A 1 +ATOM 2909 C CB ILE 385 . . A 1 24.161 68.106 80.037 1.00 22.64 ? CB ILE 385 A 1 +ATOM 2910 C CG1 ILE 385 . . A 1 23.678 69.272 80.907 1.00 25.55 ? CG1 ILE 385 A 1 +ATOM 2911 C CG2 ILE 385 . . A 1 24.550 68.612 78.650 1.00 26.15 ? CG2 ILE 385 A 1 +ATOM 2912 C CD1 ILE 385 . . A 1 22.582 70.084 80.198 1.00 31.32 ? CD1 ILE 385 A 1 +ATOM 2913 N N LYS 386 . . A 1 24.507 65.208 79.051 1.00 19.41 ? N LYS 386 A 1 +ATOM 2914 C CA LYS 386 . . A 1 24.846 64.229 78.030 1.00 16.41 ? CA LYS 386 A 1 +ATOM 2915 C C LYS 386 . . A 1 23.746 63.214 77.802 1.00 15.5 ? C LYS 386 A 1 +ATOM 2916 O O LYS 386 . . A 1 23.520 62.748 76.696 1.00 19.02 ? O LYS 386 A 1 +ATOM 2917 C CB LYS 386 . . A 1 26.163 63.511 78.355 1.00 15.67 ? CB LYS 386 A 1 +ATOM 2918 C CG LYS 386 . . A 1 27.363 64.470 78.269 1.00 13.97 ? CG LYS 386 A 1 +ATOM 2919 C CD LYS 386 . . A 1 28.705 63.748 78.404 1.00 22.76 ? CD LYS 386 A 1 +ATOM 2920 C CE LYS 386 . . A 1 29.899 64.709 78.258 1.00 29.85 ? CE LYS 386 A 1 +ATOM 2921 N NZ LYS 386 . . A 1 31.167 63.988 78.174 1.00 32.24 ? NZ LYS 386 A 1 +ATOM 2922 N N ASN 387 . . A 1 23.045 62.872 78.863 1.00 14.39 ? N ASN 387 A 1 +ATOM 2923 C CA ASN 387 . . A 1 21.969 61.905 78.713 1.00 15.86 ? CA ASN 387 A 1 +ATOM 2924 C C ASN 387 . . A 1 20.782 62.521 78.022 1.00 15.13 ? C ASN 387 A 1 +ATOM 2925 O O ASN 387 . . A 1 20.085 61.866 77.261 1.00 17.02 ? O ASN 387 A 1 +ATOM 2926 C CB ASN 387 . . A 1 21.521 61.340 80.070 1.00 21.64 ? CB ASN 387 A 1 +ATOM 2927 C CG ASN 387 . . A 1 22.530 60.443 80.766 1.00 28.33 ? CG ASN 387 A 1 +ATOM 2928 O OD1 ASN 387 . . A 1 22.410 60.183 81.952 1.00 35.96 ? OD1 ASN 387 A 1 +ATOM 2929 N ND2 ASN 387 . . A 1 23.541 59.943 80.033 1.00 29.77 ? ND2 ASN 387 A 1 +ATOM 2930 N N ARG 388 . . A 1 20.558 63.808 78.281 1.00 11.15 ? N ARG 388 A 1 +ATOM 2931 C CA ARG 388 . . A 1 19.430 64.467 77.645 1.00 11.5 ? CA ARG 388 A 1 +ATOM 2932 C C ARG 388 . . A 1 19.648 64.479 76.139 1.00 13.43 ? C ARG 388 A 1 +ATOM 2933 O O ARG 388 . . A 1 18.815 64.110 75.308 1.00 10.98 ? O ARG 388 A 1 +ATOM 2934 C CB ARG 388 . . A 1 19.340 65.916 78.167 1.00 9.27 ? CB ARG 388 A 1 +ATOM 2935 C CG ARG 388 . . A 1 18.216 66.780 77.556 1.00 7.23 ? CG ARG 388 A 1 +ATOM 2936 C CD ARG 388 . . A 1 18.418 68.277 77.829 1.00 10.14 ? CD ARG 388 A 1 +ATOM 2937 N NE ARG 388 . . A 1 19.677 68.697 77.262 1.00 9.96 ? NE ARG 388 A 1 +ATOM 2938 C CZ ARG 388 . . A 1 20.276 69.841 77.586 1.00 14.29 ? CZ ARG 388 A 1 +ATOM 2939 N NH1 ARG 388 . . A 1 19.710 70.708 78.412 1.00 19.41 ? NH1 ARG 388 A 1 +ATOM 2940 N NH2 ARG 388 . . A 1 21.468 70.114 77.068 1.00 21.28 ? NH2 ARG 388 A 1 +ATOM 2941 N N ASP 389 . . A 1 20.858 64.938 75.812 1.00 10.11 ? N ASP 389 A 1 +ATOM 2942 C CA ASP 389 . . A 1 21.227 65.033 74.418 1.00 6.98 ? CA ASP 389 A 1 +ATOM 2943 C C ASP 389 . . A 1 21.295 63.682 73.756 1.00 6.78 ? C ASP 389 A 1 +ATOM 2944 O O ASP 389 . . A 1 20.832 63.526 72.638 1.00 11.27 ? O ASP 389 A 1 +ATOM 2945 C CB ASP 389 . . A 1 22.537 65.804 74.258 1.00 11.29 ? CB ASP 389 A 1 +ATOM 2946 C CG ASP 389 . . A 1 22.402 67.288 74.636 1.00 17.29 ? CG ASP 389 A 1 +ATOM 2947 O OD1 ASP 389 . . A 1 21.275 67.756 74.811 1.00 17.15 ? OD1 ASP 389 A 1 +ATOM 2948 O OD2 ASP 389 . . A 1 23.423 67.979 74.735 1.00 17.35 ? OD2 ASP 389 A 1 +ATOM 2949 N N GLY 390 . . A 1 21.829 62.673 74.429 1.00 3.73 ? N GLY 390 A 1 +ATOM 2950 C CA GLY 390 . . A 1 21.891 61.375 73.763 1.00 6.75 ? CA GLY 390 A 1 +ATOM 2951 C C GLY 390 . . A 1 20.517 60.854 73.369 1.00 11.44 ? C GLY 390 A 1 +ATOM 2952 O O GLY 390 . . A 1 20.280 60.300 72.303 1.00 18.6 ? O GLY 390 A 1 +ATOM 2953 N N LEU 391 . . A 1 19.560 61.102 74.239 1.00 12.73 ? N LEU 391 A 1 +ATOM 2954 C CA LEU 391 . . A 1 18.210 60.633 73.972 1.00 13.42 ? CA LEU 391 A 1 +ATOM 2955 C C LEU 391 . . A 1 17.604 61.378 72.800 1.00 12.34 ? C LEU 391 A 1 +ATOM 2956 O O LEU 391 . . A 1 16.874 60.877 71.957 1.00 11.07 ? O LEU 391 A 1 +ATOM 2957 C CB LEU 391 . . A 1 17.431 60.825 75.281 1.00 17.09 ? CB LEU 391 A 1 +ATOM 2958 C CG LEU 391 . . A 1 16.427 59.725 75.627 1.00 15.61 ? CG LEU 391 A 1 +ATOM 2959 C CD1 LEU 391 . . A 1 17.014 58.315 75.658 1.00 20.05 ? CD1 LEU 391 A 1 +ATOM 2960 C CD2 LEU 391 . . A 1 15.854 60.061 76.993 1.00 18.22 ? CD2 LEU 391 A 1 +ATOM 2961 N N ASP 392 . . A 1 17.964 62.645 72.739 1.00 13.63 ? N ASP 392 A 1 +ATOM 2962 C CA ASP 392 . . A 1 17.482 63.480 71.651 1.00 16.96 ? CA ASP 392 A 1 +ATOM 2963 C C ASP 392 . . A 1 18.015 62.979 70.298 1.00 21 ? C ASP 392 A 1 +ATOM 2964 O O ASP 392 . . A 1 17.426 63.204 69.238 1.00 25.56 ? O ASP 392 A 1 +ATOM 2965 C CB ASP 392 . . A 1 17.897 64.926 71.935 1.00 22.14 ? CB ASP 392 A 1 +ATOM 2966 C CG ASP 392 . . A 1 17.358 65.901 70.910 1.00 25.9 ? CG ASP 392 A 1 +ATOM 2967 O OD1 ASP 392 . . A 1 17.973 66.037 69.857 1.00 33.47 ? OD1 ASP 392 A 1 +ATOM 2968 O OD2 ASP 392 . . A 1 16.335 66.521 71.162 1.00 26.93 ? OD2 ASP 392 A 1 +ATOM 2969 N N ASP 393 . . A 1 19.156 62.283 70.341 1.00 19.36 ? N ASP 393 A 1 +ATOM 2970 C CA ASP 393 . . A 1 19.713 61.750 69.109 1.00 14.77 ? CA ASP 393 A 1 +ATOM 2971 C C ASP 393 . . A 1 19.246 60.355 68.865 1.00 16.13 ? C ASP 393 A 1 +ATOM 2972 O O ASP 393 . . A 1 19.321 59.871 67.745 1.00 15.95 ? O ASP 393 A 1 +ATOM 2973 C CB ASP 393 . . A 1 21.224 61.641 69.157 1.00 16.7 ? CB ASP 393 A 1 +ATOM 2974 C CG ASP 393 . . A 1 21.909 62.970 69.052 1.00 20.9 ? CG ASP 393 A 1 +ATOM 2975 O OD1 ASP 393 . . A 1 21.285 63.912 68.572 1.00 28.23 ? OD1 ASP 393 A 1 +ATOM 2976 O OD2 ASP 393 . . A 1 23.076 63.058 69.438 1.00 28.4 ? OD2 ASP 393 A 1 +ATOM 2977 N N ILE 394 . . A 1 18.806 59.670 69.917 1.00 16.81 ? N ILE 394 A 1 +ATOM 2978 C CA ILE 394 . . A 1 18.326 58.320 69.686 1.00 14.79 ? CA ILE 394 A 1 +ATOM 2979 C C ILE 394 . . A 1 17.034 58.468 68.911 1.00 14.4 ? C ILE 394 A 1 +ATOM 2980 O O ILE 394 . . A 1 16.827 57.899 67.848 1.00 15.07 ? O ILE 394 A 1 +ATOM 2981 C CB ILE 394 . . A 1 18.197 57.526 71.020 1.00 9.94 ? CB ILE 394 A 1 +ATOM 2982 C CG1 ILE 394 . . A 1 19.600 57.171 71.545 1.00 9.43 ? CG1 ILE 394 A 1 +ATOM 2983 C CG2 ILE 394 . . A 1 17.360 56.246 70.892 1.00 3.78 ? CG2 ILE 394 A 1 +ATOM 2984 C CD1 ILE 394 . . A 1 19.620 56.444 72.895 1.00 11.88 ? CD1 ILE 394 A 1 +ATOM 2985 N N VAL 395 . . A 1 16.159 59.314 69.440 1.00 17.14 ? N VAL 395 A 1 +ATOM 2986 C CA VAL 395 . . A 1 14.882 59.476 68.762 1.00 16.27 ? CA VAL 395 A 1 +ATOM 2987 C C VAL 395 . . A 1 15.066 59.986 67.326 1.00 18.15 ? C VAL 395 A 1 +ATOM 2988 O O VAL 395 . . A 1 14.518 59.477 66.360 1.00 17.08 ? O VAL 395 A 1 +ATOM 2989 C CB VAL 395 . . A 1 13.981 60.346 69.672 1.00 13.18 ? CB VAL 395 A 1 +ATOM 2990 C CG1 VAL 395 . . A 1 12.546 60.519 69.153 1.00 12.93 ? CG1 VAL 395 A 1 +ATOM 2991 C CG2 VAL 395 . . A 1 13.926 59.757 71.097 1.00 6.53 ? CG2 VAL 395 A 1 +ATOM 2992 N N GLY 396 . . A 1 15.891 61.009 67.180 1.00 21.58 ? N GLY 396 A 1 +ATOM 2993 C CA GLY 396 . . A 1 16.084 61.550 65.844 1.00 18.28 ? CA GLY 396 A 1 +ATOM 2994 C C GLY 396 . . A 1 16.695 60.588 64.847 1.00 16.4 ? C GLY 396 A 1 +ATOM 2995 O O GLY 396 . . A 1 16.185 60.406 63.751 1.00 23.24 ? O GLY 396 A 1 +ATOM 2996 N N ASP 397 . . A 1 17.805 59.961 65.219 1.00 12.43 ? N ASP 397 A 1 +ATOM 2997 C CA ASP 397 . . A 1 18.447 59.048 64.289 1.00 3.45 ? CA ASP 397 A 1 +ATOM 2998 C C ASP 397 . . A 1 17.594 57.853 63.993 1.00 5.71 ? C ASP 397 A 1 +ATOM 2999 O O ASP 397 . . A 1 17.481 57.433 62.852 1.00 11.98 ? O ASP 397 A 1 +ATOM 3000 C CB ASP 397 . . A 1 19.799 58.569 64.821 1.00 2.73 ? CB ASP 397 A 1 +ATOM 3001 C CG ASP 397 . . A 1 20.775 59.713 65.035 1.00 7.64 ? CG ASP 397 A 1 +ATOM 3002 O OD1 ASP 397 . . A 1 20.479 60.845 64.650 1.00 6.63 ? OD1 ASP 397 A 1 +ATOM 3003 O OD2 ASP 397 . . A 1 21.844 59.477 65.595 1.00 10.63 ? OD2 ASP 397 A 1 +ATOM 3004 N N HIS 398 . . A 1 16.974 57.304 65.016 1.00 5.99 ? N HIS 398 A 1 +ATOM 3005 C CA HIS 398 . . A 1 16.160 56.141 64.764 1.00 8.08 ? CA HIS 398 A 1 +ATOM 3006 C C HIS 398 . . A 1 14.946 56.444 63.901 1.00 12.21 ? C HIS 398 A 1 +ATOM 3007 O O HIS 398 . . A 1 14.656 55.722 62.959 1.00 17.17 ? O HIS 398 A 1 +ATOM 3008 C CB HIS 398 . . A 1 15.656 55.541 66.098 1.00 5.36 ? CB HIS 398 A 1 +ATOM 3009 C CG HIS 398 . . A 1 14.660 54.405 65.892 1.00 3.31 ? CG HIS 398 A 1 +ATOM 3010 N ND1 HIS 398 . . A 1 14.967 53.237 65.314 1.00 2 ? ND1 HIS 398 A 1 +ATOM 3011 C CD2 HIS 398 . . A 1 13.281 54.365 66.230 1.00 5.16 ? CD2 HIS 398 A 1 +ATOM 3012 C CE1 HIS 398 . . A 1 13.840 52.506 65.297 1.00 2.44 ? CE1 HIS 398 A 1 +ATOM 3013 N NE2 HIS 398 . . A 1 12.802 53.160 65.843 1.00 2 ? NE2 HIS 398 A 1 +ATOM 3014 N N ASN 399 . . A 1 14.251 57.533 64.234 1.00 11.6 ? N ASN 399 A 1 +ATOM 3015 C CA ASN 399 . . A 1 13.000 57.822 63.527 1.00 11.44 ? CA ASN 399 A 1 +ATOM 3016 C C ASN 399 . . A 1 12.992 58.748 62.330 1.00 10.94 ? C ASN 399 A 1 +ATOM 3017 O O ASN 399 . . A 1 11.989 58.763 61.629 1.00 11.39 ? O ASN 399 A 1 +ATOM 3018 C CB ASN 399 . . A 1 11.987 58.485 64.480 1.00 13.59 ? CB ASN 399 A 1 +ATOM 3019 C CG ASN 399 . . A 1 11.643 57.649 65.659 1.00 12.03 ? CG ASN 399 A 1 +ATOM 3020 O OD1 ASN 399 . . A 1 10.740 56.841 65.605 1.00 7.86 ? OD1 ASN 399 A 1 +ATOM 3021 N ND2 ASN 399 . . A 1 12.376 57.852 66.740 1.00 16.18 ? ND2 ASN 399 A 1 +ATOM 3022 N N VAL 400 . . A 1 14.027 59.553 62.106 1.00 8.13 ? N VAL 400 A 1 +ATOM 3023 C CA VAL 400 . . A 1 13.945 60.448 60.962 1.00 6.64 ? CA VAL 400 A 1 +ATOM 3024 C C VAL 400 . . A 1 15.215 60.433 60.133 1.00 11.94 ? C VAL 400 A 1 +ATOM 3025 O O VAL 400 . . A 1 15.197 60.192 58.936 1.00 19.91 ? O VAL 400 A 1 +ATOM 3026 C CB VAL 400 . . A 1 13.629 61.870 61.447 1.00 2 ? CB VAL 400 A 1 +ATOM 3027 C CG1 VAL 400 . . A 1 13.447 62.823 60.272 1.00 9.1 ? CG1 VAL 400 A 1 +ATOM 3028 C CG2 VAL 400 . . A 1 12.362 61.916 62.321 1.00 2 ? CG2 VAL 400 A 1 +ATOM 3029 N N ILE 401 . . A 1 16.354 60.678 60.767 1.00 12.04 ? N ILE 401 A 1 +ATOM 3030 C CA ILE 401 . . A 1 17.569 60.715 59.961 1.00 10.1 ? CA ILE 401 A 1 +ATOM 3031 C C ILE 401 . . A 1 17.938 59.398 59.349 1.00 11.78 ? C ILE 401 A 1 +ATOM 3032 O O ILE 401 . . A 1 18.093 59.291 58.145 1.00 18.25 ? O ILE 401 A 1 +ATOM 3033 C CB ILE 401 . . A 1 18.755 61.335 60.721 1.00 8.29 ? CB ILE 401 A 1 +ATOM 3034 C CG1 ILE 401 . . A 1 18.295 62.654 61.372 1.00 3.74 ? CG1 ILE 401 A 1 +ATOM 3035 C CG2 ILE 401 . . A 1 19.984 61.535 59.814 1.00 8.02 ? CG2 ILE 401 A 1 +ATOM 3036 C CD1 ILE 401 . . A 1 19.433 63.514 61.913 1.00 2 ? CD1 ILE 401 A 1 +ATOM 3037 N N CYS 402 . . A 1 18.088 58.365 60.152 1.00 13.62 ? N CYS 402 A 1 +ATOM 3038 C CA CYS 402 . . A 1 18.495 57.121 59.506 1.00 14.5 ? CA CYS 402 A 1 +ATOM 3039 C C CYS 402 . . A 1 17.572 56.533 58.450 1.00 13.22 ? C CYS 402 A 1 +ATOM 3040 O O CYS 402 . . A 1 18.124 56.120 57.438 1.00 19.78 ? O CYS 402 A 1 +ATOM 3041 C CB CYS 402 . . A 1 19.014 56.084 60.477 1.00 11.32 ? CB CYS 402 A 1 +ATOM 3042 S SG CYS 402 . . A 1 20.385 56.807 61.425 1.00 15.97 ? SG CYS 402 A 1 +ATOM 3043 N N PRO 403 . . A 1 16.235 56.464 58.600 1.00 8.93 ? N PRO 403 A 1 +ATOM 3044 C CA PRO 403 . . A 1 15.429 55.964 57.494 1.00 10.79 ? CA PRO 403 A 1 +ATOM 3045 C C PRO 403 . . A 1 15.525 56.854 56.245 1.00 12.36 ? C PRO 403 A 1 +ATOM 3046 O O PRO 403 . . A 1 15.529 56.351 55.119 1.00 14.53 ? O PRO 403 A 1 +ATOM 3047 C CB PRO 403 . . A 1 14.006 55.757 58.043 1.00 6.7 ? CB PRO 403 A 1 +ATOM 3048 C CG PRO 403 . . A 1 14.020 56.382 59.436 1.00 11.2 ? CG PRO 403 A 1 +ATOM 3049 C CD PRO 403 . . A 1 15.491 56.629 59.826 1.00 10.36 ? CD PRO 403 A 1 +ATOM 3050 N N LEU 404 . . A 1 15.628 58.175 56.465 1.00 11.19 ? N LEU 404 A 1 +ATOM 3051 C CA LEU 404 . . A 1 15.735 59.087 55.320 1.00 9.91 ? CA LEU 404 A 1 +ATOM 3052 C C LEU 404 . . A 1 17.004 58.797 54.535 1.00 13.85 ? C LEU 404 A 1 +ATOM 3053 O O LEU 404 . . A 1 17.003 58.677 53.314 1.00 16.68 ? O LEU 404 A 1 +ATOM 3054 C CB LEU 404 . . A 1 15.669 60.553 55.770 1.00 5.07 ? CB LEU 404 A 1 +ATOM 3055 C CG LEU 404 . . A 1 15.739 61.585 54.627 1.00 2.5 ? CG LEU 404 A 1 +ATOM 3056 C CD1 LEU 404 . . A 1 14.649 62.656 54.746 1.00 2 ? CD1 LEU 404 A 1 +ATOM 3057 C CD2 LEU 404 . . A 1 17.120 62.247 54.544 1.00 6.97 ? CD2 LEU 404 A 1 +ATOM 3058 N N MET 405 . . A 1 18.117 58.637 55.263 1.00 12 ? N MET 405 A 1 +ATOM 3059 C CA MET 405 . . A 1 19.348 58.326 54.539 1.00 10.39 ? CA MET 405 A 1 +ATOM 3060 C C MET 405 . . A 1 19.229 57.001 53.802 1.00 10.1 ? C MET 405 A 1 +ATOM 3061 O O MET 405 . . A 1 19.838 56.745 52.774 1.00 12.42 ? O MET 405 A 1 +ATOM 3062 C CB MET 405 . . A 1 20.552 58.236 55.476 1.00 6.38 ? CB MET 405 A 1 +ATOM 3063 C CG MET 405 . . A 1 20.791 59.550 56.205 1.00 8.23 ? CG MET 405 A 1 +ATOM 3064 S SD MET 405 . . A 1 21.080 60.867 55.011 1.00 9.64 ? SD MET 405 A 1 +ATOM 3065 C CE MET 405 . . A 1 22.706 60.365 54.398 1.00 6.69 ? CE MET 405 A 1 +ATOM 3066 N N HIS 406 . . A 1 18.421 56.121 54.352 1.00 8.78 ? N HIS 406 A 1 +ATOM 3067 C CA HIS 406 . . A 1 18.273 54.847 53.674 1.00 14.38 ? CA HIS 406 A 1 +ATOM 3068 C C HIS 406 . . A 1 17.589 55.083 52.331 1.00 17.53 ? C HIS 406 A 1 +ATOM 3069 O O HIS 406 . . A 1 18.028 54.641 51.274 1.00 22.81 ? O HIS 406 A 1 +ATOM 3070 C CB HIS 406 . . A 1 17.449 53.885 54.554 1.00 14.21 ? CB HIS 406 A 1 +ATOM 3071 C CG HIS 406 . . A 1 17.406 52.506 53.951 1.00 11.97 ? CG HIS 406 A 1 +ATOM 3072 N ND1 HIS 406 . . A 1 18.492 51.722 53.819 1.00 8.45 ? ND1 HIS 406 A 1 +ATOM 3073 C CD2 HIS 406 . . A 1 16.284 51.813 53.440 1.00 10.64 ? CD2 HIS 406 A 1 +ATOM 3074 C CE1 HIS 406 . . A 1 18.058 50.585 53.250 1.00 10.91 ? CE1 HIS 406 A 1 +ATOM 3075 N NE2 HIS 406 . . A 1 16.734 50.620 53.012 1.00 7.82 ? NE2 HIS 406 A 1 +ATOM 3076 N N PHE 407 . . A 1 16.493 55.848 52.405 1.00 17.65 ? N PHE 407 A 1 +ATOM 3077 C CA PHE 407 . . A 1 15.696 56.164 51.206 1.00 14.69 ? CA PHE 407 A 1 +ATOM 3078 C C PHE 407 . . A 1 16.547 56.830 50.161 1.00 14.22 ? C PHE 407 A 1 +ATOM 3079 O O PHE 407 . . A 1 16.575 56.427 49.013 1.00 17.34 ? O PHE 407 A 1 +ATOM 3080 C CB PHE 407 . . A 1 14.542 57.078 51.605 1.00 12.33 ? CB PHE 407 A 1 +ATOM 3081 C CG PHE 407 . . A 1 13.625 57.489 50.499 1.00 3.35 ? CG PHE 407 A 1 +ATOM 3082 C CD1 PHE 407 . . A 1 12.684 56.579 50.008 1.00 5.65 ? CD1 PHE 407 A 1 +ATOM 3083 C CD2 PHE 407 . . A 1 13.668 58.801 50.002 1.00 6.05 ? CD2 PHE 407 A 1 +ATOM 3084 C CE1 PHE 407 . . A 1 11.771 56.991 49.026 1.00 8.33 ? CE1 PHE 407 A 1 +ATOM 3085 C CE2 PHE 407 . . A 1 12.757 59.209 49.016 1.00 9.1 ? CE2 PHE 407 A 1 +ATOM 3086 C CZ PHE 407 . . A 1 11.805 58.305 48.524 1.00 4.46 ? CZ PHE 407 A 1 +ATOM 3087 N N VAL 408 . . A 1 17.279 57.849 50.591 1.00 12.31 ? N VAL 408 A 1 +ATOM 3088 C CA VAL 408 . . A 1 18.151 58.552 49.671 1.00 9.26 ? CA VAL 408 A 1 +ATOM 3089 C C VAL 408 . . A 1 19.090 57.619 48.972 1.00 11.77 ? C VAL 408 A 1 +ATOM 3090 O O VAL 408 . . A 1 19.218 57.638 47.761 1.00 17.89 ? O VAL 408 A 1 +ATOM 3091 C CB VAL 408 . . A 1 18.942 59.613 50.439 1.00 5.68 ? CB VAL 408 A 1 +ATOM 3092 C CG1 VAL 408 . . A 1 20.075 60.236 49.642 1.00 4.05 ? CG1 VAL 408 A 1 +ATOM 3093 C CG2 VAL 408 . . A 1 17.982 60.718 50.857 1.00 15.34 ? CG2 VAL 408 A 1 +ATOM 3094 N N ASN 409 . . A 1 19.735 56.759 49.738 1.00 11.92 ? N ASN 409 A 1 +ATOM 3095 C CA ASN 409 . . A 1 20.667 55.896 49.049 1.00 11.95 ? CA ASN 409 A 1 +ATOM 3096 C C ASN 409 . . A 1 20.016 54.975 48.085 1.00 13.78 ? C ASN 409 A 1 +ATOM 3097 O O ASN 409 . . A 1 20.558 54.718 47.022 1.00 17.57 ? O ASN 409 A 1 +ATOM 3098 C CB ASN 409 . . A 1 21.513 55.093 50.010 1.00 17.99 ? CB ASN 409 A 1 +ATOM 3099 C CG ASN 409 . . A 1 22.596 56.014 50.523 1.00 27.06 ? CG ASN 409 A 1 +ATOM 3100 O OD1 ASN 409 . . A 1 23.575 56.287 49.842 1.00 31.47 ? OD1 ASN 409 A 1 +ATOM 3101 N ND2 ASN 409 . . A 1 22.413 56.505 51.746 1.00 30.06 ? ND2 ASN 409 A 1 +ATOM 3102 N N LYS 410 . . A 1 18.847 54.458 48.435 1.00 14.56 ? N LYS 410 A 1 +ATOM 3103 C CA LYS 410 . . A 1 18.255 53.555 47.450 1.00 17 ? CA LYS 410 A 1 +ATOM 3104 C C LYS 410 . . A 1 17.628 54.304 46.266 1.00 17.5 ? C LYS 410 A 1 +ATOM 3105 O O LYS 410 . . A 1 17.487 53.799 45.165 1.00 19.56 ? O LYS 410 A 1 +ATOM 3106 C CB LYS 410 . . A 1 17.248 52.611 48.122 1.00 20.71 ? CB LYS 410 A 1 +ATOM 3107 C CG LYS 410 . . A 1 17.908 51.718 49.185 1.00 20.55 ? CG LYS 410 A 1 +ATOM 3108 C CD LYS 410 . . A 1 17.452 50.251 49.115 1.00 26.51 ? CD LYS 410 A 1 +ATOM 3109 C CE LYS 410 . . A 1 18.611 49.238 49.018 1.00 29.06 ? CE LYS 410 A 1 +ATOM 3110 N NZ LYS 410 . . A 1 18.277 48.013 49.749 1.00 39.74 ? NZ LYS 410 A 1 +ATOM 3111 N N TYR 411 . . A 1 17.242 55.543 46.489 1.00 16.18 ? N TYR 411 A 1 +ATOM 3112 C CA TYR 411 . . A 1 16.627 56.259 45.386 1.00 18.03 ? CA TYR 411 A 1 +ATOM 3113 C C TYR 411 . . A 1 17.659 56.751 44.412 1.00 22.49 ? C TYR 411 A 1 +ATOM 3114 O O TYR 411 . . A 1 17.502 56.663 43.201 1.00 22.41 ? O TYR 411 A 1 +ATOM 3115 C CB TYR 411 . . A 1 15.854 57.471 45.904 1.00 11.23 ? CB TYR 411 A 1 +ATOM 3116 C CG TYR 411 . . A 1 14.999 58.125 44.836 1.00 5.6 ? CG TYR 411 A 1 +ATOM 3117 C CD1 TYR 411 . . A 1 13.747 57.578 44.508 1.00 2.08 ? CD1 TYR 411 A 1 +ATOM 3118 C CD2 TYR 411 . . A 1 15.428 59.307 44.207 1.00 4.34 ? CD2 TYR 411 A 1 +ATOM 3119 C CE1 TYR 411 . . A 1 12.913 58.220 43.586 1.00 4.24 ? CE1 TYR 411 A 1 +ATOM 3120 C CE2 TYR 411 . . A 1 14.598 59.950 43.287 1.00 2 ? CE2 TYR 411 A 1 +ATOM 3121 C CZ TYR 411 . . A 1 13.344 59.409 42.977 1.00 8.61 ? CZ TYR 411 A 1 +ATOM 3122 O OH TYR 411 . . A 1 12.557 60.074 42.057 1.00 16.66 ? OH TYR 411 A 1 +ATOM 3123 N N THR 412 . . A 1 18.740 57.293 44.956 1.00 24.51 ? N THR 412 A 1 +ATOM 3124 C CA THR 412 . . A 1 19.797 57.830 44.105 1.00 25.23 ? CA THR 412 A 1 +ATOM 3125 C C THR 412 . . A 1 20.306 56.858 43.091 1.00 22.66 ? C THR 412 A 1 +ATOM 3126 O O THR 412 . . A 1 20.812 57.270 42.056 1.00 23.24 ? O THR 412 A 1 +ATOM 3127 C CB THR 412 . . A 1 20.895 58.461 44.978 1.00 24.6 ? CB THR 412 A 1 +ATOM 3128 O OG1 THR 412 . . A 1 20.281 59.445 45.809 1.00 26.37 ? OG1 THR 412 A 1 +ATOM 3129 C CG2 THR 412 . . A 1 21.998 59.210 44.205 1.00 26.6 ? CG2 THR 412 A 1 +ATOM 3130 N N LYS 413 . . A 1 20.163 55.564 43.354 1.00 23.19 ? N LYS 413 A 1 +ATOM 3131 C CA LYS 413 . . A 1 20.682 54.713 42.345 1.00 25.73 ? CA LYS 413 A 1 +ATOM 3132 C C LYS 413 . . A 1 19.917 54.864 41.029 1.00 26.73 ? C LYS 413 A 1 +ATOM 3133 O O LYS 413 . . A 1 20.461 54.651 40.014 1.00 28.6 ? O LYS 413 A 1 +ATOM 3134 C CB LYS 413 . . A 1 20.665 53.230 42.754 1.00 24.16 ? CB LYS 413 A 1 +ATOM 3135 C CG LYS 413 . . A 1 21.693 52.927 43.883 1.00 27.52 ? CG LYS 413 A 1 +ATOM 3136 C CD LYS 413 . . A 1 21.330 51.727 44.779 1.00 36.17 ? CD LYS 413 A 1 +ATOM 3137 N N PHE 414 . . A 1 18.623 55.180 41.183 1.00 28.42 ? N PHE 414 A 1 +ATOM 3138 C CA PHE 414 . . A 1 17.814 55.245 39.972 1.00 29.89 ? CA PHE 414 A 1 +ATOM 3139 C C PHE 414 . . A 1 17.061 56.556 39.706 1.00 28.33 ? C PHE 414 A 1 +ATOM 3140 O O PHE 414 . . A 1 16.297 56.674 38.736 1.00 31.27 ? O PHE 414 A 1 +ATOM 3141 C CB PHE 414 . . A 1 16.740 54.146 40.065 1.00 32.75 ? CB PHE 414 A 1 +ATOM 3142 C CG PHE 414 . . A 1 17.272 52.746 40.301 1.00 37.5 ? CG PHE 414 A 1 +ATOM 3143 C CD1 PHE 414 . . A 1 18.572 52.276 40.169 1.00 44.88 ? CD1 PHE 414 A 1 +ATOM 3144 C CD2 PHE 414 . . A 1 16.344 51.858 40.722 1.00 43.49 ? CD2 PHE 414 A 1 +ATOM 3145 C CE1 PHE 414 . . A 1 18.984 51.007 40.512 1.00 50.06 ? CE1 PHE 414 A 1 +ATOM 3146 C CE2 PHE 414 . . A 1 16.694 50.529 41.049 1.00 45.95 ? CE2 PHE 414 A 1 +ATOM 3147 C CZ PHE 414 . . A 1 18.030 50.125 40.954 1.00 46.66 ? CZ PHE 414 A 1 +ATOM 3148 N N GLY 415 . . A 1 17.218 57.553 40.575 1.00 26.12 ? N GLY 415 A 1 +ATOM 3149 C CA GLY 415 . . A 1 16.485 58.772 40.358 1.00 25.57 ? CA GLY 415 A 1 +ATOM 3150 C C GLY 415 . . A 1 17.222 59.643 39.391 1.00 25.05 ? C GLY 415 A 1 +ATOM 3151 O O GLY 415 . . A 1 18.299 59.318 38.929 1.00 23.29 ? O GLY 415 A 1 +ATOM 3152 N N ASN 416 . . A 1 16.658 60.812 39.103 1.00 28.85 ? N ASN 416 A 1 +ATOM 3153 C CA ASN 416 . . A 1 17.307 61.714 38.161 1.00 34.03 ? CA ASN 416 A 1 +ATOM 3154 C C ASN 416 . . A 1 17.867 62.946 38.848 1.00 33.9 ? C ASN 416 A 1 +ATOM 3155 O O ASN 416 . . A 1 17.753 64.054 38.351 1.00 35.24 ? O ASN 416 A 1 +ATOM 3156 C CB ASN 416 . . A 1 16.331 62.053 36.999 1.00 39.49 ? CB ASN 416 A 1 +ATOM 3157 C CG ASN 416 . . A 1 16.946 62.694 35.738 1.00 42.24 ? CG ASN 416 A 1 +ATOM 3158 O OD1 ASN 416 . . A 1 16.387 63.603 35.139 1.00 46.71 ? OD1 ASN 416 A 1 +ATOM 3159 N ND2 ASN 416 . . A 1 18.100 62.178 35.308 1.00 38.36 ? ND2 ASN 416 A 1 +ATOM 3160 N N GLY 417 . . A 1 18.467 62.755 40.028 1.00 37.53 ? N GLY 417 A 1 +ATOM 3161 C CA GLY 417 . . A 1 19.061 63.874 40.788 1.00 35.91 ? CA GLY 417 A 1 +ATOM 3162 C C GLY 417 . . A 1 18.572 63.903 42.225 1.00 30.56 ? C GLY 417 A 1 +ATOM 3163 O O GLY 417 . . A 1 17.407 63.631 42.488 1.00 29.49 ? O GLY 417 A 1 +ATOM 3164 N N THR 418 . . A 1 19.465 64.226 43.162 1.00 27.58 ? N THR 418 A 1 +ATOM 3165 C CA THR 418 . . A 1 19.038 64.247 44.557 1.00 27.31 ? CA THR 418 A 1 +ATOM 3166 C C THR 418 . . A 1 19.764 65.383 45.256 1.00 25.21 ? C THR 418 A 1 +ATOM 3167 O O THR 418 . . A 1 20.978 65.478 45.111 1.00 26.31 ? O THR 418 A 1 +ATOM 3168 C CB THR 418 . . A 1 19.424 62.879 45.187 1.00 23.65 ? CB THR 418 A 1 +ATOM 3169 O OG1 THR 418 . . A 1 18.789 61.811 44.470 1.00 29.4 ? OG1 THR 418 A 1 +ATOM 3170 C CG2 THR 418 . . A 1 19.017 62.701 46.648 1.00 21.43 ? CG2 THR 418 A 1 +ATOM 3171 N N TYR 419 . . A 1 19.030 66.227 45.997 1.00 22.29 ? N TYR 419 A 1 +ATOM 3172 C CA TYR 419 . . A 1 19.643 67.346 46.738 1.00 25.88 ? CA TYR 419 A 1 +ATOM 3173 C C TYR 419 . . A 1 19.254 67.124 48.199 1.00 25.8 ? C TYR 419 A 1 +ATOM 3174 O O TYR 419 . . A 1 18.079 66.883 48.465 1.00 27.82 ? O TYR 419 A 1 +ATOM 3175 C CB TYR 419 . . A 1 19.164 68.702 46.184 1.00 30.13 ? CB TYR 419 A 1 +ATOM 3176 C CG TYR 419 . . A 1 19.512 68.841 44.711 1.00 29.73 ? CG TYR 419 A 1 +ATOM 3177 C CD1 TYR 419 . . A 1 18.600 68.368 43.751 1.00 31.8 ? CD1 TYR 419 A 1 +ATOM 3178 C CD2 TYR 419 . . A 1 20.734 69.407 44.287 1.00 26.44 ? CD2 TYR 419 A 1 +ATOM 3179 C CE1 TYR 419 . . A 1 18.899 68.453 42.387 1.00 32.84 ? CE1 TYR 419 A 1 +ATOM 3180 C CE2 TYR 419 . . A 1 21.036 69.489 42.917 1.00 27.55 ? CE2 TYR 419 A 1 +ATOM 3181 C CZ TYR 419 . . A 1 20.114 69.013 41.961 1.00 31.05 ? CZ TYR 419 A 1 +ATOM 3182 O OH TYR 419 . . A 1 20.364 69.090 40.602 1.00 31.88 ? OH TYR 419 A 1 +ATOM 3183 N N LEU 420 . . A 1 20.228 67.176 49.121 1.00 19.41 ? N LEU 420 A 1 +ATOM 3184 C CA LEU 420 . . A 1 20.014 66.915 50.540 1.00 17.98 ? CA LEU 420 A 1 +ATOM 3185 C C LEU 420 . . A 1 20.492 68.074 51.392 1.00 19.04 ? C LEU 420 A 1 +ATOM 3186 O O LEU 420 . . A 1 21.580 68.595 51.158 1.00 16.48 ? O LEU 420 A 1 +ATOM 3187 C CB LEU 420 . . A 1 20.834 65.657 50.884 1.00 13.19 ? CB LEU 420 A 1 +ATOM 3188 C CG LEU 420 . . A 1 20.683 65.139 52.324 1.00 13.97 ? CG LEU 420 A 1 +ATOM 3189 C CD1 LEU 420 . . A 1 19.221 64.883 52.694 1.00 13.11 ? CD1 LEU 420 A 1 +ATOM 3190 C CD2 LEU 420 . . A 1 21.501 63.860 52.553 1.00 9.68 ? CD2 LEU 420 A 1 +ATOM 3191 N N TYR 421 . . A 1 19.674 68.470 52.388 1.00 20 ? N TYR 421 A 1 +ATOM 3192 C CA TYR 421 . . A 1 20.041 69.576 53.300 1.00 21.21 ? CA TYR 421 A 1 +ATOM 3193 C C TYR 421 . . A 1 19.942 69.123 54.759 1.00 22.16 ? C TYR 421 A 1 +ATOM 3194 O O TYR 421 . . A 1 19.268 68.147 55.083 1.00 27.68 ? O TYR 421 A 1 +ATOM 3195 C CB TYR 421 . . A 1 19.160 70.825 53.113 1.00 18.16 ? CB TYR 421 A 1 +ATOM 3196 C CG TYR 421 . . A 1 17.717 70.594 53.501 1.00 20.61 ? CG TYR 421 A 1 +ATOM 3197 C CD1 TYR 421 . . A 1 16.780 70.057 52.595 1.00 18.3 ? CD1 TYR 421 A 1 +ATOM 3198 C CD2 TYR 421 . . A 1 17.312 70.898 54.806 1.00 17.41 ? CD2 TYR 421 A 1 +ATOM 3199 C CE1 TYR 421 . . A 1 15.451 69.838 53.002 1.00 18.02 ? CE1 TYR 421 A 1 +ATOM 3200 C CE2 TYR 421 . . A 1 15.996 70.665 55.207 1.00 18.17 ? CE2 TYR 421 A 1 +ATOM 3201 C CZ TYR 421 . . A 1 15.057 70.145 54.313 1.00 17.49 ? CZ TYR 421 A 1 +ATOM 3202 O OH TYR 421 . . A 1 13.749 69.954 54.734 1.00 23.43 ? OH TYR 421 A 1 +ATOM 3203 N N PHE 422 . . A 1 20.608 69.887 55.631 1.00 19.35 ? N PHE 422 A 1 +ATOM 3204 C CA PHE 422 . . A 1 20.637 69.652 57.073 1.00 16.89 ? CA PHE 422 A 1 +ATOM 3205 C C PHE 422 . . A 1 20.322 71.005 57.627 1.00 15.31 ? C PHE 422 A 1 +ATOM 3206 O O PHE 422 . . A 1 21.156 71.895 57.543 1.00 17.01 ? O PHE 422 A 1 +ATOM 3207 C CB PHE 422 . . A 1 22.054 69.215 57.459 1.00 17.68 ? CB PHE 422 A 1 +ATOM 3208 C CG PHE 422 . . A 1 22.178 68.850 58.909 1.00 18.34 ? CG PHE 422 A 1 +ATOM 3209 C CD1 PHE 422 . . A 1 21.524 67.705 59.394 1.00 17.93 ? CD1 PHE 422 A 1 +ATOM 3210 C CD2 PHE 422 . . A 1 22.957 69.638 59.779 1.00 20.27 ? CD2 PHE 422 A 1 +ATOM 3211 C CE1 PHE 422 . . A 1 21.650 67.347 60.742 1.00 16.41 ? CE1 PHE 422 A 1 +ATOM 3212 C CE2 PHE 422 . . A 1 23.087 69.277 61.123 1.00 16.33 ? CE2 PHE 422 A 1 +ATOM 3213 C CZ PHE 422 . . A 1 22.431 68.132 61.601 1.00 17.51 ? CZ PHE 422 A 1 +ATOM 3214 N N PHE 423 . . A 1 19.102 71.191 58.111 1.00 14.66 ? N PHE 423 A 1 +ATOM 3215 C CA PHE 423 . . A 1 18.694 72.484 58.631 1.00 16.94 ? CA PHE 423 A 1 +ATOM 3216 C C PHE 423 . . A 1 19.040 72.523 60.103 1.00 20.96 ? C PHE 423 A 1 +ATOM 3217 O O PHE 423 . . A 1 18.555 71.738 60.923 1.00 26.49 ? O PHE 423 A 1 +ATOM 3218 C CB PHE 423 . . A 1 17.200 72.684 58.390 1.00 12.96 ? CB PHE 423 A 1 +ATOM 3219 C CG PHE 423 . . A 1 16.724 74.040 58.834 1.00 12.99 ? CG PHE 423 A 1 +ATOM 3220 C CD1 PHE 423 . . A 1 16.886 75.165 58.004 1.00 14.02 ? CD1 PHE 423 A 1 +ATOM 3221 C CD2 PHE 423 . . A 1 16.100 74.192 60.080 1.00 17.13 ? CD2 PHE 423 A 1 +ATOM 3222 C CE1 PHE 423 . . A 1 16.416 76.428 58.401 1.00 11.33 ? CE1 PHE 423 A 1 +ATOM 3223 C CE2 PHE 423 . . A 1 15.623 75.456 60.481 1.00 20.89 ? CE2 PHE 423 A 1 +ATOM 3224 C CZ PHE 423 . . A 1 15.778 76.573 59.637 1.00 15.84 ? CZ PHE 423 A 1 +ATOM 3225 N N ASN 424 . . A 1 19.894 73.481 60.441 1.00 18.24 ? N ASN 424 A 1 +ATOM 3226 C CA ASN 424 . . A 1 20.337 73.577 61.812 1.00 14.83 ? CA ASN 424 A 1 +ATOM 3227 C C ASN 424 . . A 1 20.403 74.990 62.302 1.00 12.86 ? C ASN 424 A 1 +ATOM 3228 O O ASN 424 . . A 1 21.415 75.403 62.828 1.00 16.41 ? O ASN 424 A 1 +ATOM 3229 C CB ASN 424 . . A 1 21.694 72.892 61.978 1.00 9.86 ? CB ASN 424 A 1 +ATOM 3230 C CG ASN 424 . . A 1 22.744 73.517 61.102 1.00 14.25 ? CG ASN 424 A 1 +ATOM 3231 O OD1 ASN 424 . . A 1 22.489 74.376 60.268 1.00 19.01 ? OD1 ASN 424 A 1 +ATOM 3232 N ND2 ASN 424 . . A 1 23.976 73.051 61.272 1.00 17.43 ? ND2 ASN 424 A 1 +ATOM 3233 N N HIS 425 . . A 1 19.324 75.737 62.152 1.00 14.01 ? N HIS 425 A 1 +ATOM 3234 C CA HIS 425 . . A 1 19.291 77.111 62.619 1.00 14.7 ? CA HIS 425 A 1 +ATOM 3235 C C HIS 425 . . A 1 18.127 77.227 63.581 1.00 20.28 ? C HIS 425 A 1 +ATOM 3236 O O HIS 425 . . A 1 17.025 76.743 63.342 1.00 22.87 ? O HIS 425 A 1 +ATOM 3237 C CB HIS 425 . . A 1 19.069 78.038 61.424 1.00 13.69 ? CB HIS 425 A 1 +ATOM 3238 C CG HIS 425 . . A 1 18.758 79.457 61.849 1.00 16.2 ? CG HIS 425 A 1 +ATOM 3239 N ND1 HIS 425 . . A 1 19.673 80.364 62.264 1.00 14.43 ? ND1 HIS 425 A 1 +ATOM 3240 C CD2 HIS 425 . . A 1 17.483 80.067 61.888 1.00 16.15 ? CD2 HIS 425 A 1 +ATOM 3241 C CE1 HIS 425 . . A 1 18.988 81.491 62.540 1.00 13.89 ? CE1 HIS 425 A 1 +ATOM 3242 N NE2 HIS 425 . . A 1 17.667 81.335 62.316 1.00 13.71 ? NE2 HIS 425 A 1 +ATOM 3243 N N ARG 426 . . A 1 18.386 77.897 64.696 1.00 24.28 ? N ARG 426 A 1 +ATOM 3244 C CA ARG 426 . . A 1 17.337 78.083 65.683 1.00 27.35 ? CA ARG 426 A 1 +ATOM 3245 C C ARG 426 . . A 1 16.832 79.506 65.509 1.00 27.39 ? C ARG 426 A 1 +ATOM 3246 O O ARG 426 . . A 1 17.588 80.471 65.630 1.00 26.12 ? O ARG 426 A 1 +ATOM 3247 C CB ARG 426 . . A 1 17.902 77.842 67.106 1.00 30.12 ? CB ARG 426 A 1 +ATOM 3248 C CG ARG 426 . . A 1 16.810 77.838 68.200 1.00 36.19 ? CG ARG 426 A 1 +ATOM 3249 C CD ARG 426 . . A 1 17.260 77.301 69.568 1.00 36.3 ? CD ARG 426 A 1 +ATOM 3250 N NE ARG 426 . . A 1 16.233 77.525 70.574 1.00 39.87 ? NE ARG 426 A 1 +ATOM 3251 C CZ ARG 426 . . A 1 16.103 78.735 71.150 1.00 44.86 ? CZ ARG 426 A 1 +ATOM 3252 N NH1 ARG 426 . . A 1 16.896 79.766 70.825 1.00 45.41 ? NH1 ARG 426 A 1 +ATOM 3253 N NH2 ARG 426 . . A 1 15.158 78.908 72.068 1.00 46.68 ? NH2 ARG 426 A 1 +ATOM 3254 N N ALA 427 . . A 1 15.526 79.628 65.219 1.00 25.42 ? N ALA 427 A 1 +ATOM 3255 C CA ALA 427 . . A 1 15.003 80.979 65.054 1.00 24.06 ? CA ALA 427 A 1 +ATOM 3256 C C ALA 427 . . A 1 15.285 81.755 66.302 1.00 24.95 ? C ALA 427 A 1 +ATOM 3257 O O ALA 427 . . A 1 15.147 81.236 67.399 1.00 23.58 ? O ALA 427 A 1 +ATOM 3258 C CB ALA 427 . . A 1 13.487 81.020 64.833 1.00 21.86 ? CB ALA 427 A 1 +ATOM 3259 N N SER 428 . . A 1 15.636 83.023 66.100 1.00 27.92 ? N SER 428 A 1 +ATOM 3260 C CA SER 428 . . A 1 15.952 83.883 67.235 1.00 27.44 ? CA SER 428 A 1 +ATOM 3261 C C SER 428 . . A 1 14.768 84.113 68.163 1.00 27.61 ? C SER 428 A 1 +ATOM 3262 O O SER 428 . . A 1 14.926 84.401 69.339 1.00 33.83 ? O SER 428 A 1 +ATOM 3263 C CB SER 428 . . A 1 16.575 85.213 66.778 1.00 25.08 ? CB SER 428 A 1 +ATOM 3264 O OG SER 428 . . A 1 15.802 85.842 65.750 1.00 27.48 ? OG SER 428 A 1 +ATOM 3265 N N ASN 429 . . A 1 13.572 83.993 67.608 1.00 25.58 ? N ASN 429 A 1 +ATOM 3266 C CA ASN 429 . . A 1 12.360 84.182 68.382 1.00 26.14 ? CA ASN 429 A 1 +ATOM 3267 C C ASN 429 . . A 1 11.719 82.855 68.810 1.00 29.45 ? C ASN 429 A 1 +ATOM 3268 O O ASN 429 . . A 1 10.538 82.806 69.149 1.00 31.59 ? O ASN 429 A 1 +ATOM 3269 C CB ASN 429 . . A 1 11.360 85.021 67.566 1.00 27.84 ? CB ASN 429 A 1 +ATOM 3270 C CG ASN 429 . . A 1 11.162 84.534 66.142 1.00 30.89 ? CG ASN 429 A 1 +ATOM 3271 O OD1 ASN 429 . . A 1 11.689 83.507 65.720 1.00 28.88 ? OD1 ASN 429 A 1 +ATOM 3272 N ND2 ASN 429 . . A 1 10.414 85.321 65.380 1.00 31.96 ? ND2 ASN 429 A 1 +ATOM 3273 N N LEU 430 . . A 1 12.494 81.755 68.801 1.00 27.22 ? N LEU 430 A 1 +ATOM 3274 C CA LEU 430 . . A 1 11.872 80.491 69.183 1.00 24.25 ? CA LEU 430 A 1 +ATOM 3275 C C LEU 430 . . A 1 11.330 80.608 70.604 1.00 25.62 ? C LEU 430 A 1 +ATOM 3276 O O LEU 430 . . A 1 12.050 81.102 71.463 1.00 28.75 ? O LEU 430 A 1 +ATOM 3277 C CB LEU 430 . . A 1 12.928 79.358 69.116 1.00 22.89 ? CB LEU 430 A 1 +ATOM 3278 C CG LEU 430 . . A 1 12.497 78.024 68.491 1.00 21.01 ? CG LEU 430 A 1 +ATOM 3279 C CD1 LEU 430 . . A 1 11.098 77.558 68.878 1.00 25.25 ? CD1 LEU 430 A 1 +ATOM 3280 C CD2 LEU 430 . . A 1 12.610 78.064 66.978 1.00 32.12 ? CD2 LEU 430 A 1 +ATOM 3281 N N VAL 431 . . A 1 10.083 80.155 70.846 1.00 24.53 ? N VAL 431 A 1 +ATOM 3282 C CA VAL 431 . . A 1 9.550 80.220 72.222 1.00 23.47 ? CA VAL 431 A 1 +ATOM 3283 C C VAL 431 . . A 1 9.752 78.924 73.018 1.00 20.42 ? C VAL 431 A 1 +ATOM 3284 O O VAL 431 . . A 1 9.338 78.790 74.157 1.00 22.54 ? O VAL 431 A 1 +ATOM 3285 C CB VAL 431 . . A 1 8.045 80.571 72.220 1.00 20.23 ? CB VAL 431 A 1 +ATOM 3286 C CG1 VAL 431 . . A 1 7.851 81.943 71.578 1.00 24.35 ? CG1 VAL 431 A 1 +ATOM 3287 C CG2 VAL 431 . . A 1 7.178 79.519 71.508 1.00 17.82 ? CG2 VAL 431 A 1 +ATOM 3288 N N TRP 432 . . A 1 10.322 77.925 72.377 1.00 16.34 ? N TRP 432 A 1 +ATOM 3289 C CA TRP 432 . . A 1 10.549 76.664 73.056 1.00 14.4 ? CA TRP 432 A 1 +ATOM 3290 C C TRP 432 . . A 1 11.928 76.825 73.709 1.00 13.99 ? C TRP 432 A 1 +ATOM 3291 O O TRP 432 . . A 1 12.698 77.677 73.290 1.00 13.34 ? O TRP 432 A 1 +ATOM 3292 C CB TRP 432 . . A 1 10.491 75.491 72.050 1.00 11.71 ? CB TRP 432 A 1 +ATOM 3293 C CG TRP 432 . . A 1 9.087 75.215 71.549 1.00 13.78 ? CG TRP 432 A 1 +ATOM 3294 C CD1 TRP 432 . . A 1 8.494 75.696 70.352 1.00 14.89 ? CD1 TRP 432 A 1 +ATOM 3295 C CD2 TRP 432 . . A 1 8.113 74.417 72.184 1.00 15.44 ? CD2 TRP 432 A 1 +ATOM 3296 N NE1 TRP 432 . . A 1 7.217 75.230 70.222 1.00 13.83 ? NE1 TRP 432 A 1 +ATOM 3297 C CE2 TRP 432 . . A 1 6.919 74.434 71.305 1.00 16.22 ? CE2 TRP 432 A 1 +ATOM 3298 C CE3 TRP 432 . . A 1 8.058 73.711 73.388 1.00 16.05 ? CE3 TRP 432 A 1 +ATOM 3299 C CZ2 TRP 432 . . A 1 5.771 73.727 71.707 1.00 14.52 ? CZ2 TRP 432 A 1 +ATOM 3300 C CZ3 TRP 432 . . A 1 6.884 73.027 73.752 1.00 15.01 ? CZ3 TRP 432 A 1 +ATOM 3301 C CH2 TRP 432 . . A 1 5.757 73.028 72.921 1.00 12.98 ? CH2 TRP 432 A 1 +ATOM 3302 N N PRO 433 . . A 1 12.245 76.018 74.743 1.00 12.67 ? N PRO 433 A 1 +ATOM 3303 C CA PRO 433 . . A 1 13.523 76.153 75.404 1.00 9.19 ? CA PRO 433 A 1 +ATOM 3304 C C PRO 433 . . A 1 14.678 75.802 74.534 1.00 12.11 ? C PRO 433 A 1 +ATOM 3305 O O PRO 433 . . A 1 14.623 74.982 73.635 1.00 21.23 ? O PRO 433 A 1 +ATOM 3306 C CB PRO 433 . . A 1 13.459 75.154 76.556 1.00 8.32 ? CB PRO 433 A 1 +ATOM 3307 C CG PRO 433 . . A 1 12.309 74.202 76.229 1.00 4.9 ? CG PRO 433 A 1 +ATOM 3308 C CD PRO 433 . . A 1 11.370 75.011 75.342 1.00 9.63 ? CD PRO 433 A 1 +ATOM 3309 N N GLU 434 . . A 1 15.797 76.398 74.910 1.00 15.38 ? N GLU 434 A 1 +ATOM 3310 C CA GLU 434 . . A 1 17.052 76.209 74.207 1.00 14.21 ? CA GLU 434 A 1 +ATOM 3311 C C GLU 434 . . A 1 17.471 74.746 74.132 1.00 13.83 ? C GLU 434 A 1 +ATOM 3312 O O GLU 434 . . A 1 18.152 74.354 73.203 1.00 17.17 ? O GLU 434 A 1 +ATOM 3313 C CB GLU 434 . . A 1 18.131 77.082 74.901 1.00 12.25 ? CB GLU 434 A 1 +ATOM 3314 C CG GLU 434 . . A 1 19.471 77.250 74.154 1.00 20.68 ? CG GLU 434 A 1 +ATOM 3315 N N TRP 435 . . A 1 17.062 73.930 75.109 1.00 13.6 ? N TRP 435 A 1 +ATOM 3316 C CA TRP 435 . . A 1 17.525 72.544 75.044 1.00 13.74 ? CA TRP 435 A 1 +ATOM 3317 C C TRP 435 . . A 1 16.939 71.785 73.877 1.00 16.4 ? C TRP 435 A 1 +ATOM 3318 O O TRP 435 . . A 1 17.517 70.819 73.400 1.00 23.41 ? O TRP 435 A 1 +ATOM 3319 C CB TRP 435 . . A 1 17.391 71.777 76.402 1.00 13.33 ? CB TRP 435 A 1 +ATOM 3320 C CG TRP 435 . . A 1 15.962 71.442 76.812 1.00 7.61 ? CG TRP 435 A 1 +ATOM 3321 C CD1 TRP 435 . . A 1 15.117 72.204 77.650 1.00 5.44 ? CD1 TRP 435 A 1 +ATOM 3322 C CD2 TRP 435 . . A 1 15.215 70.325 76.407 1.00 5.75 ? CD2 TRP 435 A 1 +ATOM 3323 N NE1 TRP 435 . . A 1 13.895 71.623 77.769 1.00 2 ? NE1 TRP 435 A 1 +ATOM 3324 C CE2 TRP 435 . . A 1 13.876 70.476 77.028 1.00 4 ? CE2 TRP 435 A 1 +ATOM 3325 C CE3 TRP 435 . . A 1 15.492 69.206 75.613 1.00 5.4 ? CE3 TRP 435 A 1 +ATOM 3326 C CZ2 TRP 435 . . A 1 12.889 69.511 76.783 1.00 5.82 ? CZ2 TRP 435 A 1 +ATOM 3327 C CZ3 TRP 435 . . A 1 14.484 68.250 75.403 1.00 9.91 ? CZ3 TRP 435 A 1 +ATOM 3328 C CH2 TRP 435 . . A 1 13.197 68.405 75.967 1.00 8.73 ? CH2 TRP 435 A 1 +ATOM 3329 N N MET 436 . . A 1 15.758 72.216 73.436 1.00 16.03 ? N MET 436 A 1 +ATOM 3330 C CA MET 436 . . A 1 15.126 71.534 72.318 1.00 17.89 ? CA MET 436 A 1 +ATOM 3331 C C MET 436 . . A 1 15.859 71.830 70.984 1.00 20.1 ? C MET 436 A 1 +ATOM 3332 O O MET 436 . . A 1 15.715 71.137 69.985 1.00 20.8 ? O MET 436 A 1 +ATOM 3333 C CB MET 436 . . A 1 13.632 71.873 72.286 1.00 14.73 ? CB MET 436 A 1 +ATOM 3334 C CG MET 436 . . A 1 12.913 71.395 73.543 1.00 10.31 ? CG MET 436 A 1 +ATOM 3335 S SD MET 436 . . A 1 11.190 71.974 73.524 1.00 13.56 ? SD MET 436 A 1 +ATOM 3336 C CE MET 436 . . A 1 10.487 70.820 72.309 1.00 13.12 ? CE MET 436 A 1 +ATOM 3337 N N GLY 437 . . A 1 16.660 72.895 70.964 1.00 20.64 ? N GLY 437 A 1 +ATOM 3338 C CA GLY 437 . . A 1 17.403 73.168 69.739 1.00 18.75 ? CA GLY 437 A 1 +ATOM 3339 C C GLY 437 . . A 1 16.552 73.492 68.521 1.00 17.03 ? C GLY 437 A 1 +ATOM 3340 O O GLY 437 . . A 1 15.594 74.256 68.593 1.00 18.08 ? O GLY 437 A 1 +ATOM 3341 N N VAL 438 . . A 1 16.977 72.905 67.382 1.00 12.62 ? N VAL 438 A 1 +ATOM 3342 C CA VAL 438 . . A 1 16.330 73.055 66.081 1.00 9.94 ? CA VAL 438 A 1 +ATOM 3343 C C VAL 438 . . A 1 15.270 71.965 66.028 1.00 6.84 ? C VAL 438 A 1 +ATOM 3344 O O VAL 438 . . A 1 15.538 70.830 65.653 1.00 2 ? O VAL 438 A 1 +ATOM 3345 C CB VAL 438 . . A 1 17.385 72.902 64.976 1.00 6.49 ? CB VAL 438 A 1 +ATOM 3346 C CG1 VAL 438 . . A 1 16.813 73.247 63.604 1.00 12.47 ? CG1 VAL 438 A 1 +ATOM 3347 C CG2 VAL 438 . . A 1 18.622 73.766 65.262 1.00 4.15 ? CG2 VAL 438 A 1 +ATOM 3348 N N ILE 439 . . A 1 14.062 72.371 66.379 1.00 8.21 ? N ILE 439 A 1 +ATOM 3349 C CA ILE 439 . . A 1 12.963 71.434 66.493 1.00 9.83 ? CA ILE 439 A 1 +ATOM 3350 C C ILE 439 . . A 1 12.315 70.981 65.199 1.00 12.68 ? C ILE 439 A 1 +ATOM 3351 O O ILE 439 . . A 1 12.240 71.645 64.166 1.00 17.5 ? O ILE 439 A 1 +ATOM 3352 C CB ILE 439 . . A 1 11.928 72.134 67.412 1.00 8.73 ? CB ILE 439 A 1 +ATOM 3353 C CG1 ILE 439 . . A 1 12.536 72.553 68.764 1.00 5.52 ? CG1 ILE 439 A 1 +ATOM 3354 C CG2 ILE 439 . . A 1 10.641 71.337 67.687 1.00 9.39 ? CG2 ILE 439 A 1 +ATOM 3355 C CD1 ILE 439 . . A 1 11.738 73.672 69.435 1.00 2 ? CD1 ILE 439 A 1 +ATOM 3356 N N HIS 440 . . A 1 11.787 69.767 65.315 1.00 10.68 ? N HIS 440 A 1 +ATOM 3357 C CA HIS 440 . . A 1 11.053 69.108 64.252 1.00 9.48 ? CA HIS 440 A 1 +ATOM 3358 C C HIS 440 . . A 1 9.911 70.051 63.934 1.00 9.31 ? C HIS 440 A 1 +ATOM 3359 O O HIS 440 . . A 1 9.208 70.462 64.829 1.00 8.12 ? O HIS 440 A 1 +ATOM 3360 C CB HIS 440 . . A 1 10.550 67.777 64.839 1.00 8.57 ? CB HIS 440 A 1 +ATOM 3361 C CG HIS 440 . . A 1 9.657 66.946 63.948 1.00 7.99 ? CG HIS 440 A 1 +ATOM 3362 N ND1 HIS 440 . . A 1 10.086 66.014 63.073 1.00 6.63 ? ND1 HIS 440 A 1 +ATOM 3363 C CD2 HIS 440 . . A 1 8.240 66.895 63.984 1.00 9.96 ? CD2 HIS 440 A 1 +ATOM 3364 C CE1 HIS 440 . . A 1 8.975 65.395 62.600 1.00 12.43 ? CE1 HIS 440 A 1 +ATOM 3365 N NE2 HIS 440 . . A 1 7.845 65.912 63.137 1.00 10.39 ? NE2 HIS 440 A 1 +ATOM 3366 N N GLY 441 . . A 1 9.782 70.443 62.665 1.00 12.04 ? N GLY 441 A 1 +ATOM 3367 C CA GLY 441 . . A 1 8.713 71.358 62.293 1.00 8.35 ? CA GLY 441 A 1 +ATOM 3368 C C GLY 441 . . A 1 9.180 72.772 62.174 1.00 8.92 ? C GLY 441 A 1 +ATOM 3369 O O GLY 441 . . A 1 8.565 73.583 61.507 1.00 9.77 ? O GLY 441 A 1 +ATOM 3370 N N TYR 442 . . A 1 10.356 73.065 62.706 1.00 8.66 ? N TYR 442 A 1 +ATOM 3371 C CA TYR 442 . . A 1 10.755 74.475 62.684 1.00 11.82 ? CA TYR 442 A 1 +ATOM 3372 C C TYR 442 . . A 1 11.364 75.119 61.445 1.00 13.54 ? C TYR 442 A 1 +ATOM 3373 O O TYR 442 . . A 1 11.672 76.305 61.457 1.00 20.09 ? O TYR 442 A 1 +ATOM 3374 C CB TYR 442 . . A 1 11.369 74.815 64.079 1.00 11.19 ? CB TYR 442 A 1 +ATOM 3375 C CG TYR 442 . . A 1 10.204 74.997 65.047 1.00 7.21 ? CG TYR 442 A 1 +ATOM 3376 C CD1 TYR 442 . . A 1 9.504 73.889 65.567 1.00 5.33 ? CD1 TYR 442 A 1 +ATOM 3377 C CD2 TYR 442 . . A 1 9.715 76.291 65.292 1.00 2 ? CD2 TYR 442 A 1 +ATOM 3378 C CE1 TYR 442 . . A 1 8.320 74.070 66.286 1.00 2 ? CE1 TYR 442 A 1 +ATOM 3379 C CE2 TYR 442 . . A 1 8.531 76.476 66.001 1.00 2 ? CE2 TYR 442 A 1 +ATOM 3380 C CZ TYR 442 . . A 1 7.836 75.369 66.490 1.00 4.13 ? CZ TYR 442 A 1 +ATOM 3381 O OH TYR 442 . . A 1 6.660 75.593 67.164 1.00 13.11 ? OH TYR 442 A 1 +ATOM 3382 N N GLU 443 . . A 1 11.519 74.358 60.342 1.00 15.74 ? N GLU 443 A 1 +ATOM 3383 C CA GLU 443 . . A 1 12.072 74.942 59.086 1.00 7.98 ? CA GLU 443 A 1 +ATOM 3384 C C GLU 443 . . A 1 10.944 75.473 58.230 1.00 5.61 ? C GLU 443 A 1 +ATOM 3385 O O GLU 443 . . A 1 11.091 76.316 57.364 1.00 7.19 ? O GLU 443 A 1 +ATOM 3386 C CB GLU 443 . . A 1 12.889 73.972 58.219 1.00 9.6 ? CB GLU 443 A 1 +ATOM 3387 C CG GLU 443 . . A 1 12.093 72.991 57.312 1.00 7.55 ? CG GLU 443 A 1 +ATOM 3388 C CD GLU 443 . . A 1 11.196 72.053 58.088 1.00 6.46 ? CD GLU 443 A 1 +ATOM 3389 O OE1 GLU 443 . . A 1 11.514 71.797 59.235 1.00 8.12 ? OE1 GLU 443 A 1 +ATOM 3390 O OE2 GLU 443 . . A 1 10.196 71.582 57.551 1.00 6.22 ? OE2 GLU 443 A 1 +ATOM 3391 N N ILE 444 . . A 1 9.757 74.944 58.494 1.00 3.67 ? N ILE 444 A 1 +ATOM 3392 C CA ILE 444 . . A 1 8.602 75.371 57.745 1.00 2.76 ? CA ILE 444 A 1 +ATOM 3393 C C ILE 444 . . A 1 8.391 76.890 57.829 1.00 6.05 ? C ILE 444 A 1 +ATOM 3394 O O ILE 444 . . A 1 7.849 77.504 56.938 1.00 9.34 ? O ILE 444 A 1 +ATOM 3395 C CB ILE 444 . . A 1 7.359 74.564 58.209 1.00 2 ? CB ILE 444 A 1 +ATOM 3396 C CG1 ILE 444 . . A 1 7.604 73.028 58.241 1.00 5.67 ? CG1 ILE 444 A 1 +ATOM 3397 C CG2 ILE 444 . . A 1 6.150 74.919 57.348 1.00 3.61 ? CG2 ILE 444 A 1 +ATOM 3398 C CD1 ILE 444 . . A 1 6.379 72.173 58.631 1.00 2 ? CD1 ILE 444 A 1 +ATOM 3399 N N GLU 445 . . A 1 8.840 77.540 58.906 1.00 16.65 ? N GLU 445 A 1 +ATOM 3400 C CA GLU 445 . . A 1 8.601 78.992 58.980 1.00 17.1 ? CA GLU 445 A 1 +ATOM 3401 C C GLU 445 . . A 1 9.356 79.694 57.924 1.00 14.25 ? C GLU 445 A 1 +ATOM 3402 O O GLU 445 . . A 1 8.937 80.729 57.438 1.00 8.96 ? O GLU 445 A 1 +ATOM 3403 C CB GLU 445 . . A 1 9.088 79.671 60.292 1.00 24.89 ? CB GLU 445 A 1 +ATOM 3404 C CG GLU 445 . . A 1 8.687 78.932 61.563 1.00 25.68 ? CG GLU 445 A 1 +ATOM 3405 C CD GLU 445 . . A 1 9.181 79.521 62.848 1.00 31.64 ? CD GLU 445 A 1 +ATOM 3406 O OE1 GLU 445 . . A 1 10.321 79.998 62.881 1.00 28.92 ? OE1 GLU 445 A 1 +ATOM 3407 O OE2 GLU 445 . . A 1 8.421 79.476 63.819 1.00 35.91 ? OE2 GLU 445 A 1 +ATOM 3408 N N PHE 446 . . A 1 10.512 79.084 57.639 1.00 14.43 ? N PHE 446 A 1 +ATOM 3409 C CA PHE 446 . . A 1 11.436 79.601 56.650 1.00 17.47 ? CA PHE 446 A 1 +ATOM 3410 C C PHE 446 . . A 1 10.935 79.364 55.231 1.00 17.92 ? C PHE 446 A 1 +ATOM 3411 O O PHE 446 . . A 1 10.854 80.285 54.429 1.00 17.24 ? O PHE 446 A 1 +ATOM 3412 C CB PHE 446 . . A 1 12.841 79.006 56.892 1.00 14.25 ? CB PHE 446 A 1 +ATOM 3413 C CG PHE 446 . . A 1 13.479 79.696 58.073 1.00 18.46 ? CG PHE 446 A 1 +ATOM 3414 C CD1 PHE 446 . . A 1 13.109 79.356 59.382 1.00 21.45 ? CD1 PHE 446 A 1 +ATOM 3415 C CD2 PHE 446 . . A 1 14.397 80.744 57.865 1.00 17.73 ? CD2 PHE 446 A 1 +ATOM 3416 C CE1 PHE 446 . . A 1 13.632 80.089 60.462 1.00 25.35 ? CE1 PHE 446 A 1 +ATOM 3417 C CE2 PHE 446 . . A 1 14.922 81.463 58.941 1.00 16.63 ? CE2 PHE 446 A 1 +ATOM 3418 C CZ PHE 446 . . A 1 14.533 81.146 60.246 1.00 17.92 ? CZ PHE 446 A 1 +ATOM 3419 N N VAL 447 . . A 1 10.587 78.103 54.953 1.00 15.23 ? N VAL 447 A 1 +ATOM 3420 C CA VAL 447 . . A 1 10.097 77.751 53.637 1.00 11.34 ? CA VAL 447 A 1 +ATOM 3421 C C VAL 447 . . A 1 8.867 78.578 53.236 1.00 13.43 ? C VAL 447 A 1 +ATOM 3422 O O VAL 447 . . A 1 8.675 78.844 52.058 1.00 18.88 ? O VAL 447 A 1 +ATOM 3423 C CB VAL 447 . . A 1 9.843 76.228 53.599 1.00 9.38 ? CB VAL 447 A 1 +ATOM 3424 C CG1 VAL 447 . . A 1 9.027 75.750 52.392 1.00 4.32 ? CG1 VAL 447 A 1 +ATOM 3425 C CG2 VAL 447 . . A 1 11.168 75.435 53.691 1.00 3.9 ? CG2 VAL 447 A 1 +ATOM 3426 N N PHE 448 . . A 1 8.042 78.981 54.207 1.00 4.53 ? N PHE 448 A 1 +ATOM 3427 C CA PHE 448 . . A 1 6.869 79.755 53.840 1.00 3.52 ? CA PHE 448 A 1 +ATOM 3428 C C PHE 448 . . A 1 7.071 81.254 53.952 1.00 7.21 ? C PHE 448 A 1 +ATOM 3429 O O PHE 448 . . A 1 6.141 82.041 53.829 1.00 10.21 ? O PHE 448 A 1 +ATOM 3430 C CB PHE 448 . . A 1 5.622 79.283 54.591 1.00 3.13 ? CB PHE 448 A 1 +ATOM 3431 C CG PHE 448 . . A 1 4.956 78.088 53.952 1.00 3.83 ? CG PHE 448 A 1 +ATOM 3432 C CD1 PHE 448 . . A 1 5.567 76.827 53.991 1.00 2.43 ? CD1 PHE 448 A 1 +ATOM 3433 C CD2 PHE 448 . . A 1 3.705 78.237 53.307 1.00 6.22 ? CD2 PHE 448 A 1 +ATOM 3434 C CE1 PHE 448 . . A 1 4.929 75.722 53.393 1.00 9.88 ? CE1 PHE 448 A 1 +ATOM 3435 C CE2 PHE 448 . . A 1 3.070 77.138 52.709 1.00 5.13 ? CE2 PHE 448 A 1 +ATOM 3436 C CZ PHE 448 . . A 1 3.685 75.876 52.751 1.00 8.76 ? CZ PHE 448 A 1 +ATOM 3437 N N GLY 449 . . A 1 8.302 81.669 54.212 1.00 12.35 ? N GLY 449 A 1 +ATOM 3438 C CA GLY 449 . . A 1 8.601 83.113 54.262 1.00 19.06 ? CA GLY 449 A 1 +ATOM 3439 C C GLY 449 . . A 1 8.035 83.979 55.378 1.00 22.16 ? C GLY 449 A 1 +ATOM 3440 O O GLY 449 . . A 1 7.885 85.192 55.224 1.00 23.38 ? O GLY 449 A 1 +ATOM 3441 N N LEU 450 . . A 1 7.735 83.363 56.538 1.00 23.86 ? N LEU 450 A 1 +ATOM 3442 C CA LEU 450 . . A 1 7.219 84.190 57.634 1.00 20.32 ? CA LEU 450 A 1 +ATOM 3443 C C LEU 450 . . A 1 8.256 85.211 58.121 1.00 17.7 ? C LEU 450 A 1 +ATOM 3444 O O LEU 450 . . A 1 7.883 86.310 58.488 1.00 16.68 ? O LEU 450 A 1 +ATOM 3445 C CB LEU 450 . . A 1 6.676 83.381 58.824 1.00 18.87 ? CB LEU 450 A 1 +ATOM 3446 C CG LEU 450 . . A 1 5.459 82.475 58.544 1.00 19.02 ? CG LEU 450 A 1 +ATOM 3447 C CD1 LEU 450 . . A 1 4.479 82.480 59.723 1.00 23.46 ? CD1 LEU 450 A 1 +ATOM 3448 C CD2 LEU 450 . . A 1 4.688 82.824 57.271 1.00 23.14 ? CD2 LEU 450 A 1 +ATOM 3449 N N PRO 451 . . A 1 9.564 84.906 58.111 1.00 16.06 ? N PRO 451 A 1 +ATOM 3450 C CA PRO 451 . . A 1 10.523 85.973 58.367 1.00 20.2 ? CA PRO 451 A 1 +ATOM 3451 C C PRO 451 . . A 1 10.389 87.265 57.568 1.00 25.32 ? C PRO 451 A 1 +ATOM 3452 O O PRO 451 . . A 1 10.988 88.278 57.919 1.00 30.73 ? O PRO 451 A 1 +ATOM 3453 C CB PRO 451 . . A 1 11.898 85.312 58.167 1.00 16.42 ? CB PRO 451 A 1 +ATOM 3454 C CG PRO 451 . . A 1 11.663 83.804 58.374 1.00 13.92 ? CG PRO 451 A 1 +ATOM 3455 C CD PRO 451 . . A 1 10.182 83.586 58.012 1.00 15.33 ? CD PRO 451 A 1 +ATOM 3456 N N LEU 452 . . A 1 9.636 87.218 56.456 1.00 30.14 ? N LEU 452 A 1 +ATOM 3457 C CA LEU 452 . . A 1 9.477 88.436 55.666 1.00 31.12 ? CA LEU 452 A 1 +ATOM 3458 C C LEU 452 . . A 1 8.561 89.402 56.374 1.00 32.76 ? C LEU 452 A 1 +ATOM 3459 O O LEU 452 . . A 1 8.601 90.608 56.162 1.00 34.65 ? O LEU 452 A 1 +ATOM 3460 C CB LEU 452 . . A 1 8.945 88.149 54.262 1.00 28.34 ? CB LEU 452 A 1 +ATOM 3461 C CG LEU 452 . . A 1 9.855 87.242 53.419 1.00 25.04 ? CG LEU 452 A 1 +ATOM 3462 C CD1 LEU 452 . . A 1 9.640 87.572 51.947 1.00 29.84 ? CD1 LEU 452 A 1 +ATOM 3463 C CD2 LEU 452 . . A 1 11.347 87.363 53.738 1.00 21.13 ? CD2 LEU 452 A 1 +ATOM 3464 N N VAL 453 . . A 1 7.715 88.831 57.230 1.00 33.5 ? N VAL 453 A 1 +ATOM 3465 C CA VAL 453 . . A 1 6.785 89.616 58.003 1.00 35.18 ? CA VAL 453 A 1 +ATOM 3466 C C VAL 453 . . A 1 7.585 90.214 59.143 1.00 37.58 ? C VAL 453 A 1 +ATOM 3467 O O VAL 453 . . A 1 7.915 89.555 60.116 1.00 41.33 ? O VAL 453 A 1 +ATOM 3468 C CB VAL 453 . . A 1 5.670 88.683 58.497 1.00 33.52 ? CB VAL 453 A 1 +ATOM 3469 C CG1 VAL 453 . . A 1 4.555 89.448 59.213 1.00 36.53 ? CG1 VAL 453 A 1 +ATOM 3470 C CG2 VAL 453 . . A 1 5.056 87.869 57.338 1.00 35.81 ? CG2 VAL 453 A 1 +ATOM 3471 N N LYS 454 . . A 1 7.877 91.503 59.035 1.00 42.92 ? N LYS 454 A 1 +ATOM 3472 C CA LYS 454 . . A 1 8.669 92.165 60.076 1.00 47.9 ? CA LYS 454 A 1 +ATOM 3473 C C LYS 454 . . A 1 8.020 92.125 61.467 1.00 47.66 ? C LYS 454 A 1 +ATOM 3474 O O LYS 454 . . A 1 8.691 92.052 62.489 1.00 47.79 ? O LYS 454 A 1 +ATOM 3475 C CB LYS 454 . . A 1 9.056 93.591 59.627 1.00 51.97 ? CB LYS 454 A 1 +ATOM 3476 C CG LYS 454 . . A 1 9.627 93.678 58.174 1.00 61.84 ? CG LYS 454 A 1 +ATOM 3477 C CD LYS 454 . . A 1 11.067 93.135 57.962 1.00 65.28 ? CD LYS 454 A 1 +ATOM 3478 C CE LYS 454 . . A 1 11.212 91.600 57.792 1.00 69.26 ? CE LYS 454 A 1 +ATOM 3479 N NZ LYS 454 . . A 1 12.612 91.209 57.883 1.00 74.01 ? NZ LYS 454 A 1 +ATOM 3480 N N GLU 455 . . A 1 6.675 92.124 61.481 1.00 45.37 ? N GLU 455 A 1 +ATOM 3481 C CA GLU 455 . . A 1 5.960 92.071 62.763 1.00 38.25 ? CA GLU 455 A 1 +ATOM 3482 C C GLU 455 . . A 1 6.248 90.803 63.540 1.00 35.88 ? C GLU 455 A 1 +ATOM 3483 O O GLU 455 . . A 1 5.957 90.725 64.719 1.00 37.11 ? O GLU 455 A 1 +ATOM 3484 C CB GLU 455 . . A 1 4.420 92.127 62.657 1.00 37.95 ? CB GLU 455 A 1 +ATOM 3485 N N LEU 456 . . A 1 6.810 89.791 62.886 1.00 31.87 ? N LEU 456 A 1 +ATOM 3486 C CA LEU 456 . . A 1 7.071 88.568 63.621 1.00 30.7 ? CA LEU 456 A 1 +ATOM 3487 C C LEU 456 . . A 1 8.401 88.558 64.368 1.00 32.17 ? C LEU 456 A 1 +ATOM 3488 O O LEU 456 . . A 1 8.719 87.593 65.061 1.00 30.98 ? O LEU 456 A 1 +ATOM 3489 C CB LEU 456 . . A 1 6.879 87.370 62.708 1.00 30.84 ? CB LEU 456 A 1 +ATOM 3490 C CG LEU 456 . . A 1 5.485 87.371 62.068 1.00 31.62 ? CG LEU 456 A 1 +ATOM 3491 C CD1 LEU 456 . . A 1 5.310 86.161 61.149 1.00 36.79 ? CD1 LEU 456 A 1 +ATOM 3492 C CD2 LEU 456 . . A 1 4.328 87.460 63.076 1.00 27.13 ? CD2 LEU 456 A 1 +ATOM 3493 N N ASN 457 . . A 1 9.185 89.624 64.218 1.00 31.39 ? N ASN 457 A 1 +ATOM 3494 C CA ASN 457 . . A 1 10.453 89.752 64.958 1.00 35.14 ? CA ASN 457 A 1 +ATOM 3495 C C ASN 457 . . A 1 11.590 88.804 64.619 1.00 32.17 ? C ASN 457 A 1 +ATOM 3496 O O ASN 457 . . A 1 12.171 88.197 65.517 1.00 32 ? O ASN 457 A 1 +ATOM 3497 C CB ASN 457 . . A 1 10.273 89.624 66.508 1.00 43.52 ? CB ASN 457 A 1 +ATOM 3498 C CG ASN 457 . . A 1 9.348 90.650 67.137 1.00 49.23 ? CG ASN 457 A 1 +ATOM 3499 O OD1 ASN 457 . . A 1 9.710 91.802 67.325 1.00 54.33 ? OD1 ASN 457 A 1 +ATOM 3500 N ND2 ASN 457 . . A 1 8.133 90.219 67.469 1.00 51.9 ? ND2 ASN 457 A 1 +ATOM 3501 N N TYR 458 . . A 1 11.913 88.633 63.338 1.00 28.42 ? N TYR 458 A 1 +ATOM 3502 C CA TYR 458 . . A 1 13.045 87.738 63.059 1.00 25.04 ? CA TYR 458 A 1 +ATOM 3503 C C TYR 458 . . A 1 14.182 88.661 62.723 1.00 24.07 ? C TYR 458 A 1 +ATOM 3504 O O TYR 458 . . A 1 13.974 89.827 62.420 1.00 25.65 ? O TYR 458 A 1 +ATOM 3505 C CB TYR 458 . . A 1 12.794 86.785 61.881 1.00 20 ? CB TYR 458 A 1 +ATOM 3506 C CG TYR 458 . . A 1 11.774 85.705 62.144 1.00 15.51 ? CG TYR 458 A 1 +ATOM 3507 C CD1 TYR 458 . . A 1 10.402 85.989 61.988 1.00 15.4 ? CD1 TYR 458 A 1 +ATOM 3508 C CD2 TYR 458 . . A 1 12.175 84.390 62.453 1.00 12.32 ? CD2 TYR 458 A 1 +ATOM 3509 C CE1 TYR 458 . . A 1 9.447 84.962 62.057 1.00 11.67 ? CE1 TYR 458 A 1 +ATOM 3510 C CE2 TYR 458 . . A 1 11.221 83.364 62.531 1.00 12.05 ? CE2 TYR 458 A 1 +ATOM 3511 C CZ TYR 458 . . A 1 9.861 83.644 62.307 1.00 12.36 ? CZ TYR 458 A 1 +ATOM 3512 O OH TYR 458 . . A 1 8.926 82.623 62.289 1.00 16.52 ? OH TYR 458 A 1 +ATOM 3513 N N THR 459 . . A 1 15.397 88.146 62.764 1.00 25.51 ? N THR 459 A 1 +ATOM 3514 C CA THR 459 . . A 1 16.491 89.042 62.421 1.00 30.49 ? CA THR 459 A 1 +ATOM 3515 C C THR 459 . . A 1 16.556 89.189 60.907 1.00 34.22 ? C THR 459 A 1 +ATOM 3516 O O THR 459 . . A 1 16.074 88.354 60.138 1.00 38.2 ? O THR 459 A 1 +ATOM 3517 C CB THR 459 . . A 1 17.828 88.505 62.978 1.00 31.63 ? CB THR 459 A 1 +ATOM 3518 O OG1 THR 459 . . A 1 18.006 87.127 62.639 1.00 32.54 ? OG1 THR 459 A 1 +ATOM 3519 C CG2 THR 459 . . A 1 17.895 88.568 64.503 1.00 37.27 ? CG2 THR 459 A 1 +ATOM 3520 N N ALA 460 . . A 1 17.256 90.250 60.485 1.00 35.28 ? N ALA 460 A 1 +ATOM 3521 C CA ALA 460 . . A 1 17.392 90.463 59.049 1.00 31.19 ? CA ALA 460 A 1 +ATOM 3522 C C ALA 460 . . A 1 18.147 89.318 58.423 1.00 31 ? C ALA 460 A 1 +ATOM 3523 O O ALA 460 . . A 1 17.868 88.901 57.311 1.00 36.66 ? O ALA 460 A 1 +ATOM 3524 C CB ALA 460 . . A 1 18.138 91.756 58.740 1.00 31.44 ? CB ALA 460 A 1 +ATOM 3525 N N GLU 461 . . A 1 19.120 88.794 59.182 1.00 26.39 ? N GLU 461 A 1 +ATOM 3526 C CA GLU 461 . . A 1 19.890 87.674 58.654 1.00 23.78 ? CA GLU 461 A 1 +ATOM 3527 C C GLU 461 . . A 1 18.974 86.461 58.393 1.00 23.06 ? C GLU 461 A 1 +ATOM 3528 O O GLU 461 . . A 1 19.246 85.601 57.572 1.00 26.98 ? O GLU 461 A 1 +ATOM 3529 C CB GLU 461 . . A 1 21.064 87.271 59.585 1.00 25.76 ? CB GLU 461 A 1 +ATOM 3530 C CG GLU 461 . . A 1 21.864 88.405 60.275 1.00 31.33 ? CG GLU 461 A 1 +ATOM 3531 N N GLU 462 . . A 1 17.866 86.374 59.133 1.00 22.8 ? N GLU 462 A 1 +ATOM 3532 C CA GLU 462 . . A 1 16.933 85.262 58.938 1.00 22.36 ? CA GLU 462 A 1 +ATOM 3533 C C GLU 462 . . A 1 16.067 85.557 57.749 1.00 23.82 ? C GLU 462 A 1 +ATOM 3534 O O GLU 462 . . A 1 15.620 84.657 57.053 1.00 26.24 ? O GLU 462 A 1 +ATOM 3535 C CB GLU 462 . . A 1 16.067 85.018 60.182 1.00 19.23 ? CB GLU 462 A 1 +ATOM 3536 C CG GLU 462 . . A 1 16.911 84.411 61.317 1.00 16.08 ? CG GLU 462 A 1 +ATOM 3537 C CD GLU 462 . . A 1 16.242 84.428 62.681 1.00 16.57 ? CD GLU 462 A 1 +ATOM 3538 O OE1 GLU 462 . . A 1 15.343 85.249 62.900 1.00 10.48 ? OE1 GLU 462 A 1 +ATOM 3539 O OE2 GLU 462 . . A 1 16.636 83.613 63.518 1.00 6.73 ? OE2 GLU 462 A 1 +ATOM 3540 N N GLU 463 . . A 1 15.804 86.853 57.519 1.00 26.21 ? N GLU 463 A 1 +ATOM 3541 C CA GLU 463 . . A 1 15.000 87.209 56.343 1.00 27.74 ? CA GLU 463 A 1 +ATOM 3542 C C GLU 463 . . A 1 15.748 86.741 55.097 1.00 24.31 ? C GLU 463 A 1 +ATOM 3543 O O GLU 463 . . A 1 15.214 86.181 54.152 1.00 23.26 ? O GLU 463 A 1 +ATOM 3544 C CB GLU 463 . . A 1 14.741 88.720 56.214 1.00 33.13 ? CB GLU 463 A 1 +ATOM 3545 C CG GLU 463 . . A 1 13.667 88.991 55.142 1.00 43.02 ? CG GLU 463 A 1 +ATOM 3546 C CD GLU 463 . . A 1 13.678 90.403 54.567 1.00 49.44 ? CD GLU 463 A 1 +ATOM 3547 O OE1 GLU 463 . . A 1 14.724 90.820 54.065 1.00 55.82 ? OE1 GLU 463 A 1 +ATOM 3548 O OE2 GLU 463 . . A 1 12.639 91.071 54.602 1.00 52.07 ? OE2 GLU 463 A 1 +ATOM 3549 N N ALA 464 . . A 1 17.053 86.988 55.147 1.00 21.45 ? N ALA 464 A 1 +ATOM 3550 C CA ALA 464 . . A 1 17.904 86.571 54.059 1.00 17.4 ? CA ALA 464 A 1 +ATOM 3551 C C ALA 464 . . A 1 17.806 85.072 53.872 1.00 16.84 ? C ALA 464 A 1 +ATOM 3552 O O ALA 464 . . A 1 17.625 84.578 52.772 1.00 23.96 ? O ALA 464 A 1 +ATOM 3553 C CB ALA 464 . . A 1 19.359 86.947 54.361 1.00 18 ? CB ALA 464 A 1 +ATOM 3554 N N LEU 465 . . A 1 17.917 84.353 54.990 1.00 14.92 ? N LEU 465 A 1 +ATOM 3555 C CA LEU 465 . . A 1 17.840 82.901 54.957 1.00 11.99 ? CA LEU 465 A 1 +ATOM 3556 C C LEU 465 . . A 1 16.538 82.392 54.346 1.00 13.91 ? C LEU 465 A 1 +ATOM 3557 O O LEU 465 . . A 1 16.581 81.508 53.502 1.00 14.21 ? O LEU 465 A 1 +ATOM 3558 C CB LEU 465 . . A 1 18.063 82.291 56.357 1.00 10.67 ? CB LEU 465 A 1 +ATOM 3559 C CG LEU 465 . . A 1 18.192 80.753 56.381 1.00 11.62 ? CG LEU 465 A 1 +ATOM 3560 C CD1 LEU 465 . . A 1 19.344 80.255 55.509 1.00 19.35 ? CD1 LEU 465 A 1 +ATOM 3561 C CD2 LEU 465 . . A 1 18.403 80.203 57.788 1.00 11.16 ? CD2 LEU 465 A 1 +ATOM 3562 N N SER 466 . . A 1 15.367 82.933 54.737 1.00 12.62 ? N SER 466 A 1 +ATOM 3563 C CA SER 466 . . A 1 14.166 82.366 54.110 1.00 17.34 ? CA SER 466 A 1 +ATOM 3564 C C SER 466 . . A 1 14.102 82.694 52.637 1.00 22.63 ? C SER 466 A 1 +ATOM 3565 O O SER 466 . . A 1 13.545 81.933 51.858 1.00 26.36 ? O SER 466 A 1 +ATOM 3566 C CB SER 466 . . A 1 12.832 82.685 54.780 1.00 14.63 ? CB SER 466 A 1 +ATOM 3567 O OG SER 466 . . A 1 12.762 84.077 55.007 1.00 25.19 ? OG SER 466 A 1 +ATOM 3568 N N ARG 467 . . A 1 14.675 83.836 52.233 1.00 22.38 ? N ARG 467 A 1 +ATOM 3569 C CA ARG 467 . . A 1 14.612 84.090 50.803 1.00 20.89 ? CA ARG 467 A 1 +ATOM 3570 C C ARG 467 . . A 1 15.467 83.065 50.051 1.00 20.9 ? C ARG 467 A 1 +ATOM 3571 O O ARG 467 . . A 1 15.126 82.650 48.949 1.00 22.37 ? O ARG 467 A 1 +ATOM 3572 C CB ARG 467 . . A 1 15.008 85.515 50.486 1.00 20.62 ? CB ARG 467 A 1 +ATOM 3573 C CG ARG 467 . . A 1 14.021 86.543 51.059 1.00 24.03 ? CG ARG 467 A 1 +ATOM 3574 C CD ARG 467 . . A 1 14.477 87.965 50.698 1.00 29.71 ? CD ARG 467 A 1 +ATOM 3575 N NE ARG 467 . . A 1 13.686 88.998 51.343 1.00 34.93 ? NE ARG 467 A 1 +ATOM 3576 C CZ ARG 467 . . A 1 12.560 89.506 50.812 1.00 36.36 ? CZ ARG 467 A 1 +ATOM 3577 N NH1 ARG 467 . . A 1 12.048 89.034 49.678 1.00 36.65 ? NH1 ARG 467 A 1 +ATOM 3578 N NH2 ARG 467 . . A 1 11.944 90.507 51.441 1.00 40.08 ? NH2 ARG 467 A 1 +ATOM 3579 N N ARG 468 . . A 1 16.576 82.636 50.669 1.00 17.65 ? N ARG 468 A 1 +ATOM 3580 C CA ARG 468 . . A 1 17.387 81.648 49.973 1.00 19.11 ? CA ARG 468 A 1 +ATOM 3581 C C ARG 468 . . A 1 16.678 80.334 49.900 1.00 20.33 ? C ARG 468 A 1 +ATOM 3582 O O ARG 468 . . A 1 16.709 79.626 48.903 1.00 22.41 ? O ARG 468 A 1 +ATOM 3583 C CB ARG 468 . . A 1 18.738 81.360 50.640 1.00 18.67 ? CB ARG 468 A 1 +ATOM 3584 C CG ARG 468 . . A 1 19.467 82.632 51.088 1.00 28.44 ? CG ARG 468 A 1 +ATOM 3585 C CD ARG 468 . . A 1 21.002 82.519 51.106 1.00 34.04 ? CD ARG 468 A 1 +ATOM 3586 N NE ARG 468 . . A 1 21.519 81.658 52.167 1.00 40.98 ? NE ARG 468 A 1 +ATOM 3587 C CZ ARG 468 . . A 1 21.745 80.345 51.975 1.00 44.67 ? CZ ARG 468 A 1 +ATOM 3588 N NH1 ARG 468 . . A 1 21.341 79.745 50.866 1.00 46.16 ? NH1 ARG 468 A 1 +ATOM 3589 N NH2 ARG 468 . . A 1 22.383 79.621 52.895 1.00 46.32 ? NH2 ARG 468 A 1 +ATOM 3590 N N ILE 469 . . A 1 16.030 80.025 51.022 1.00 20.68 ? N ILE 469 A 1 +ATOM 3591 C CA ILE 469 . . A 1 15.311 78.769 51.105 1.00 19.33 ? CA ILE 469 A 1 +ATOM 3592 C C ILE 469 . . A 1 14.193 78.758 50.084 1.00 19.36 ? C ILE 469 A 1 +ATOM 3593 O O ILE 469 . . A 1 14.060 77.842 49.284 1.00 23.77 ? O ILE 469 A 1 +ATOM 3594 C CB ILE 469 . . A 1 14.783 78.529 52.537 1.00 17.87 ? CB ILE 469 A 1 +ATOM 3595 C CG1 ILE 469 . . A 1 15.877 78.713 53.626 1.00 17.95 ? CG1 ILE 469 A 1 +ATOM 3596 C CG2 ILE 469 . . A 1 14.077 77.177 52.658 1.00 17.95 ? CG2 ILE 469 A 1 +ATOM 3597 C CD1 ILE 469 . . A 1 16.398 77.436 54.273 1.00 10.76 ? CD1 ILE 469 A 1 +ATOM 3598 N N MET 470 . . A 1 13.390 79.821 50.110 1.00 16.41 ? N MET 470 A 1 +ATOM 3599 C CA MET 470 . . A 1 12.270 79.928 49.189 1.00 16.31 ? CA MET 470 A 1 +ATOM 3600 C C MET 470 . . A 1 12.703 79.892 47.736 1.00 16.06 ? C MET 470 A 1 +ATOM 3601 O O MET 470 . . A 1 11.992 79.431 46.852 1.00 13.24 ? O MET 470 A 1 +ATOM 3602 C CB MET 470 . . A 1 11.493 81.220 49.444 1.00 14.61 ? CB MET 470 A 1 +ATOM 3603 C CG MET 470 . . A 1 10.687 81.174 50.737 1.00 15.84 ? CG MET 470 A 1 +ATOM 3604 S SD MET 470 . . A 1 9.476 82.526 50.688 1.00 15.15 ? SD MET 470 A 1 +ATOM 3605 C CE MET 470 . . A 1 10.636 83.920 50.863 1.00 15.78 ? CE MET 470 A 1 +ATOM 3606 N N HIS 471 . . A 1 13.896 80.417 47.493 1.00 17.2 ? N HIS 471 A 1 +ATOM 3607 C CA HIS 471 . . A 1 14.352 80.401 46.118 1.00 21.69 ? CA HIS 471 A 1 +ATOM 3608 C C HIS 471 . . A 1 14.757 78.995 45.748 1.00 20.45 ? C HIS 471 A 1 +ATOM 3609 O O HIS 471 . . A 1 14.348 78.472 44.731 1.00 20.2 ? O HIS 471 A 1 +ATOM 3610 C CB HIS 471 . . A 1 15.475 81.429 45.913 1.00 29.47 ? CB HIS 471 A 1 +ATOM 3611 C CG HIS 471 . . A 1 15.657 81.781 44.446 1.00 33.27 ? CG HIS 471 A 1 +ATOM 3612 N ND1 HIS 471 . . A 1 14.668 82.211 43.634 1.00 33.46 ? ND1 HIS 471 A 1 +ATOM 3613 C CD2 HIS 471 . . A 1 16.854 81.743 43.693 1.00 34.65 ? CD2 HIS 471 A 1 +ATOM 3614 C CE1 HIS 471 . . A 1 15.227 82.430 42.433 1.00 37.54 ? CE1 HIS 471 A 1 +ATOM 3615 N NE2 HIS 471 . . A 1 16.548 82.159 42.446 1.00 37.05 ? NE2 HIS 471 A 1 +ATOM 3616 N N TYR 472 . . A 1 15.524 78.353 46.625 1.00 21.14 ? N TYR 472 A 1 +ATOM 3617 C CA TYR 472 . . A 1 15.949 76.982 46.342 1.00 19.71 ? CA TYR 472 A 1 +ATOM 3618 C C TYR 472 . . A 1 14.750 76.076 46.083 1.00 20.98 ? C TYR 472 A 1 +ATOM 3619 O O TYR 472 . . A 1 14.714 75.220 45.206 1.00 22.37 ? O TYR 472 A 1 +ATOM 3620 C CB TYR 472 . . A 1 16.667 76.379 47.569 1.00 20.34 ? CB TYR 472 A 1 +ATOM 3621 C CG TYR 472 . . A 1 18.070 76.843 47.860 1.00 23.95 ? CG TYR 472 A 1 +ATOM 3622 C CD1 TYR 472 . . A 1 18.992 77.017 46.826 1.00 24.9 ? CD1 TYR 472 A 1 +ATOM 3623 C CD2 TYR 472 . . A 1 18.484 77.038 49.186 1.00 26.94 ? CD2 TYR 472 A 1 +ATOM 3624 C CE1 TYR 472 . . A 1 20.319 77.345 47.103 1.00 26.1 ? CE1 TYR 472 A 1 +ATOM 3625 C CE2 TYR 472 . . A 1 19.814 77.368 49.468 1.00 30.01 ? CE2 TYR 472 A 1 +ATOM 3626 C CZ TYR 472 . . A 1 20.740 77.515 48.424 1.00 30.84 ? CZ TYR 472 A 1 +ATOM 3627 O OH TYR 472 . . A 1 22.066 77.823 48.690 1.00 36.97 ? OH TYR 472 A 1 +ATOM 3628 N N TRP 473 . . A 1 13.744 76.283 46.923 1.00 18.72 ? N TRP 473 A 1 +ATOM 3629 C CA TRP 473 . . A 1 12.550 75.483 46.804 1.00 20.3 ? CA TRP 473 A 1 +ATOM 3630 C C TRP 473 . . A 1 11.855 75.781 45.475 1.00 20.82 ? C TRP 473 A 1 +ATOM 3631 O O TRP 473 . . A 1 11.469 74.865 44.757 1.00 22.52 ? O TRP 473 A 1 +ATOM 3632 C CB TRP 473 . . A 1 11.611 75.704 48.027 1.00 17.97 ? CB TRP 473 A 1 +ATOM 3633 C CG TRP 473 . . A 1 11.772 74.677 49.157 1.00 18.66 ? CG TRP 473 A 1 +ATOM 3634 C CD1 TRP 473 . . A 1 10.715 73.896 49.684 1.00 15 ? CD1 TRP 473 A 1 +ATOM 3635 C CD2 TRP 473 . . A 1 12.930 74.304 49.885 1.00 16.88 ? CD2 TRP 473 A 1 +ATOM 3636 N NE1 TRP 473 . . A 1 11.154 73.078 50.675 1.00 14.33 ? NE1 TRP 473 A 1 +ATOM 3637 C CE2 TRP 473 . . A 1 12.501 73.272 50.857 1.00 13.46 ? CE2 TRP 473 A 1 +ATOM 3638 C CE3 TRP 473 . . A 1 14.272 74.684 49.864 1.00 18.34 ? CE3 TRP 473 A 1 +ATOM 3639 C CZ2 TRP 473 . . A 1 13.458 72.703 51.715 1.00 10.94 ? CZ2 TRP 473 A 1 +ATOM 3640 C CZ3 TRP 473 . . A 1 15.204 74.093 50.741 1.00 15.94 ? CZ3 TRP 473 A 1 +ATOM 3641 C CH2 TRP 473 . . A 1 14.797 73.118 51.659 1.00 13.44 ? CH2 TRP 473 A 1 +ATOM 3642 N N ALA 474 . . A 1 11.725 77.080 45.143 1.00 18.06 ? N ALA 474 A 1 +ATOM 3643 C CA ALA 474 . . A 1 11.038 77.443 43.897 1.00 12.46 ? CA ALA 474 A 1 +ATOM 3644 C C ALA 474 . . A 1 11.815 76.997 42.682 1.00 10.86 ? C ALA 474 A 1 +ATOM 3645 O O ALA 474 . . A 1 11.290 76.292 41.835 1.00 13.28 ? O ALA 474 A 1 +ATOM 3646 C CB ALA 474 . . A 1 10.740 78.933 43.835 1.00 11.11 ? CB ALA 474 A 1 +ATOM 3647 N N THR 475 . . A 1 13.074 77.399 42.593 1.00 7.89 ? N THR 475 A 1 +ATOM 3648 C CA THR 475 . . A 1 13.950 77.014 41.495 1.00 9.64 ? CA THR 475 A 1 +ATOM 3649 C C THR 475 . . A 1 14.029 75.501 41.324 1.00 12.78 ? C THR 475 A 1 +ATOM 3650 O O THR 475 . . A 1 14.080 74.974 40.219 1.00 12.13 ? O THR 475 A 1 +ATOM 3651 C CB THR 475 . . A 1 15.327 77.597 41.792 1.00 7.84 ? CB THR 475 A 1 +ATOM 3652 O OG1 THR 475 . . A 1 15.073 78.985 41.895 1.00 11.47 ? OG1 THR 475 A 1 +ATOM 3653 C CG2 THR 475 . . A 1 16.398 77.356 40.722 1.00 6.36 ? CG2 THR 475 A 1 +ATOM 3654 N N PHE 476 . . A 1 14.034 74.766 42.439 1.00 16.53 ? N PHE 476 A 1 +ATOM 3655 C CA PHE 476 . . A 1 14.063 73.322 42.254 1.00 16.97 ? CA PHE 476 A 1 +ATOM 3656 C C PHE 476 . . A 1 12.729 72.858 41.634 1.00 19.25 ? C PHE 476 A 1 +ATOM 3657 O O PHE 476 . . A 1 12.684 71.957 40.806 1.00 20.45 ? O PHE 476 A 1 +ATOM 3658 C CB PHE 476 . . A 1 14.322 72.604 43.592 1.00 14.69 ? CB PHE 476 A 1 +ATOM 3659 C CG PHE 476 . . A 1 14.130 71.110 43.470 1.00 8.02 ? CG PHE 476 A 1 +ATOM 3660 C CD1 PHE 476 . . A 1 15.191 70.290 43.041 1.00 8.4 ? CD1 PHE 476 A 1 +ATOM 3661 C CD2 PHE 476 . . A 1 12.871 70.541 43.736 1.00 2 ? CD2 PHE 476 A 1 +ATOM 3662 C CE1 PHE 476 . . A 1 14.993 68.913 42.870 1.00 8.04 ? CE1 PHE 476 A 1 +ATOM 3663 C CE2 PHE 476 . . A 1 12.666 69.171 43.563 1.00 2 ? CE2 PHE 476 A 1 +ATOM 3664 C CZ PHE 476 . . A 1 13.726 68.359 43.132 1.00 8.31 ? CZ PHE 476 A 1 +ATOM 3665 N N ALA 477 . . A 1 11.641 73.498 42.056 1.00 19.29 ? N ALA 477 A 1 +ATOM 3666 C CA ALA 477 . . A 1 10.344 73.088 41.528 1.00 23.33 ? CA ALA 477 A 1 +ATOM 3667 C C ALA 477 . . A 1 10.208 73.333 40.055 1.00 25.47 ? C ALA 477 A 1 +ATOM 3668 O O ALA 477 . . A 1 9.512 72.608 39.359 1.00 31.09 ? O ALA 477 A 1 +ATOM 3669 C CB ALA 477 . . A 1 9.185 73.787 42.257 1.00 21.87 ? CB ALA 477 A 1 +ATOM 3670 N N LYS 478 . . A 1 10.871 74.396 39.589 1.00 25.09 ? N LYS 478 A 1 +ATOM 3671 C CA LYS 478 . . A 1 10.770 74.689 38.160 1.00 23.32 ? CA LYS 478 A 1 +ATOM 3672 C C LYS 478 . . A 1 11.755 73.867 37.357 1.00 20.81 ? C LYS 478 A 1 +ATOM 3673 O O LYS 478 . . A 1 11.423 73.053 36.521 1.00 26.35 ? O LYS 478 A 1 +ATOM 3674 C CB LYS 478 . . A 1 11.013 76.172 37.858 1.00 24.55 ? CB LYS 478 A 1 +ATOM 3675 C CG LYS 478 . . A 1 10.290 77.145 38.788 1.00 27.31 ? CG LYS 478 A 1 +ATOM 3676 C CD LYS 478 . . A 1 10.070 78.487 38.068 1.00 36.59 ? CD LYS 478 A 1 +ATOM 3677 N N THR 479 . . A 1 13.002 74.130 37.645 1.00 15.01 ? N THR 479 A 1 +ATOM 3678 C CA THR 479 . . A 1 14.102 73.509 36.995 1.00 13.07 ? CA THR 479 A 1 +ATOM 3679 C C THR 479 . . A 1 14.392 72.091 37.362 1.00 16.43 ? C THR 479 A 1 +ATOM 3680 O O THR 479 . . A 1 14.615 71.263 36.499 1.00 22.36 ? O THR 479 A 1 +ATOM 3681 C CB THR 479 . . A 1 15.332 74.313 37.420 1.00 13.16 ? CB THR 479 A 1 +ATOM 3682 O OG1 THR 479 . . A 1 15.090 75.645 37.005 1.00 20.56 ? OG1 THR 479 A 1 +ATOM 3683 C CG2 THR 479 . . A 1 16.670 73.866 36.836 1.00 19.93 ? CG2 THR 479 A 1 +ATOM 3684 N N GLY 480 . . A 1 14.472 71.805 38.653 1.00 20.24 ? N GLY 480 A 1 +ATOM 3685 C CA GLY 480 . . A 1 14.836 70.440 39.044 1.00 16.81 ? CA GLY 480 A 1 +ATOM 3686 C C GLY 480 . . A 1 16.209 70.443 39.664 1.00 15.43 ? C GLY 480 A 1 +ATOM 3687 O O GLY 480 . . A 1 16.827 69.429 39.964 1.00 16.07 ? O GLY 480 A 1 +ATOM 3688 N N ASN 481 . . A 1 16.709 71.653 39.846 1.00 13.23 ? N ASN 481 A 1 +ATOM 3689 C CA ASN 481 . . A 1 18.005 71.873 40.445 1.00 15.96 ? CA ASN 481 A 1 +ATOM 3690 C C ASN 481 . . A 1 17.730 73.119 41.247 1.00 18.94 ? C ASN 481 A 1 +ATOM 3691 O O ASN 481 . . A 1 17.024 73.960 40.705 1.00 22.56 ? O ASN 481 A 1 +ATOM 3692 C CB ASN 481 . . A 1 19.029 72.126 39.349 1.00 17.9 ? CB ASN 481 A 1 +ATOM 3693 C CG ASN 481 . . A 1 20.375 72.417 39.921 1.00 19.48 ? CG ASN 481 A 1 +ATOM 3694 O OD1 ASN 481 . . A 1 20.513 73.084 40.924 1.00 25.74 ? OD1 ASN 481 A 1 +ATOM 3695 N ND2 ASN 481 . . A 1 21.399 71.899 39.278 1.00 23.51 ? ND2 ASN 481 A 1 +ATOM 3696 N N PRO 482 . . A 1 18.168 73.197 42.528 1.00 19.54 ? N PRO 482 A 1 +ATOM 3697 C CA PRO 482 . . A 1 17.886 74.366 43.366 1.00 19.34 ? CA PRO 482 A 1 +ATOM 3698 C C PRO 482 . . A 1 18.739 75.583 43.049 1.00 21.48 ? C PRO 482 A 1 +ATOM 3699 O O PRO 482 . . A 1 18.451 76.700 43.465 1.00 21.62 ? O PRO 482 A 1 +ATOM 3700 C CB PRO 482 . . A 1 18.230 73.874 44.785 1.00 18.08 ? CB PRO 482 A 1 +ATOM 3701 C CG PRO 482 . . A 1 19.205 72.705 44.604 1.00 16.26 ? CG PRO 482 A 1 +ATOM 3702 C CD PRO 482 . . A 1 18.867 72.121 43.238 1.00 17.03 ? CD PRO 482 A 1 +ATOM 3703 N N ASN 483 . . A 1 19.846 75.327 42.358 1.00 23.18 ? N ASN 483 A 1 +ATOM 3704 C CA ASN 483 . . A 1 20.779 76.374 41.991 1.00 25.35 ? CA ASN 483 A 1 +ATOM 3705 C C ASN 483 . . A 1 20.437 77.083 40.708 1.00 29.38 ? C ASN 483 A 1 +ATOM 3706 O O ASN 483 . . A 1 20.162 76.487 39.676 1.00 31.96 ? O ASN 483 A 1 +ATOM 3707 C CB ASN 483 . . A 1 22.151 75.763 41.699 1.00 22.37 ? CB ASN 483 A 1 +ATOM 3708 C CG ASN 483 . . A 1 22.794 75.294 42.960 1.00 25.4 ? CG ASN 483 A 1 +ATOM 3709 O OD1 ASN 483 . . A 1 22.995 74.115 43.211 1.00 18.89 ? OD1 ASN 483 A 1 +ATOM 3710 N ND2 ASN 483 . . A 1 23.130 76.288 43.791 1.00 27.5 ? ND2 ASN 483 A 1 +ATOM 3711 N N GLU 484 . . A 1 20.466 78.424 40.773 1.00 34.07 ? N GLU 484 A 1 +ATOM 3712 C CA GLU 484 . . A 1 20.242 79.176 39.540 1.00 37.82 ? CA GLU 484 A 1 +ATOM 3713 C C GLU 484 . . A 1 21.578 78.951 38.851 1.00 44.5 ? C GLU 484 A 1 +ATOM 3714 O O GLU 484 . . A 1 22.560 78.711 39.559 1.00 43.46 ? O GLU 484 A 1 +ATOM 3715 C CB GLU 484 . . A 1 20.014 80.696 39.740 1.00 36.04 ? CB GLU 484 A 1 +ATOM 3716 C CG GLU 484 . . A 1 18.511 81.037 39.875 1.00 34.11 ? CG GLU 484 A 1 +ATOM 3717 N N PRO 485 . . A 1 21.583 79.025 37.500 1.00 50.47 ? N PRO 485 A 1 +ATOM 3718 C CA PRO 485 . . A 1 22.850 79.019 36.758 1.00 51.91 ? CA PRO 485 A 1 +ATOM 3719 C C PRO 485 . . A 1 23.766 80.205 37.072 1.00 52.65 ? C PRO 485 A 1 +ATOM 3720 O O PRO 485 . . A 1 24.981 80.013 37.035 1.00 52.72 ? O PRO 485 A 1 +ATOM 3721 C CB PRO 485 . . A 1 22.418 78.986 35.283 1.00 52.01 ? CB PRO 485 A 1 +ATOM 3722 C CG PRO 485 . . A 1 20.927 78.579 35.263 1.00 50.28 ? CG PRO 485 A 1 +ATOM 3723 C CD PRO 485 . . A 1 20.381 78.905 36.656 1.00 49.49 ? CD PRO 485 A 1 +ATOM 3724 N N SER 490 . . A 1 26.591 79.111 46.480 1.00 46.63 ? N SER 490 A 1 +ATOM 3725 C CA SER 490 . . A 1 27.530 78.335 45.692 1.00 45.59 ? CA SER 490 A 1 +ATOM 3726 C C SER 490 . . A 1 26.698 77.159 45.269 1.00 42.64 ? C SER 490 A 1 +ATOM 3727 O O SER 490 . . A 1 25.538 77.111 45.674 1.00 42.6 ? O SER 490 A 1 +ATOM 3728 C CB SER 490 . . A 1 28.772 78.073 46.562 1.00 47.19 ? CB SER 490 A 1 +ATOM 3729 O OG SER 490 . . A 1 29.102 79.384 47.073 1.00 50.73 ? OG SER 490 A 1 +ATOM 3730 N N LYS 491 . . A 1 27.241 76.276 44.447 1.00 38.77 ? N LYS 491 A 1 +ATOM 3731 C CA LYS 491 . . A 1 26.402 75.181 44.041 1.00 36.63 ? CA LYS 491 A 1 +ATOM 3732 C C LYS 491 . . A 1 26.177 74.297 45.234 1.00 33.13 ? C LYS 491 A 1 +ATOM 3733 O O LYS 491 . . A 1 27.062 74.134 46.060 1.00 35.13 ? O LYS 491 A 1 +ATOM 3734 C CB LYS 491 . . A 1 27.005 74.422 42.846 1.00 40.99 ? CB LYS 491 A 1 +ATOM 3735 C CG LYS 491 . . A 1 27.213 75.311 41.594 1.00 48.99 ? CG LYS 491 A 1 +ATOM 3736 C CD LYS 491 . . A 1 25.893 75.808 40.953 1.00 57.24 ? CD LYS 491 A 1 +ATOM 3737 C CE LYS 491 . . A 1 26.055 76.967 39.944 1.00 61.63 ? CE LYS 491 A 1 +ATOM 3738 N NZ LYS 491 . . A 1 26.300 78.221 40.640 1.00 62.54 ? NZ LYS 491 A 1 +ATOM 3739 N N TRP 492 . . A 1 24.951 73.815 45.309 1.00 26.12 ? N TRP 492 A 1 +ATOM 3740 C CA TRP 492 . . A 1 24.500 72.929 46.334 1.00 19 ? CA TRP 492 A 1 +ATOM 3741 C C TRP 492 . . A 1 24.755 71.623 45.588 1.00 18.58 ? C TRP 492 A 1 +ATOM 3742 O O TRP 492 . . A 1 24.022 71.332 44.657 1.00 20.29 ? O TRP 492 A 1 +ATOM 3743 C CB TRP 492 . . A 1 22.994 73.252 46.571 1.00 11.79 ? CB TRP 492 A 1 +ATOM 3744 C CG TRP 492 . . A 1 22.225 72.250 47.431 1.00 10.05 ? CG TRP 492 A 1 +ATOM 3745 C CD1 TRP 492 . . A 1 22.584 70.919 47.775 1.00 7.17 ? CD1 TRP 492 A 1 +ATOM 3746 C CD2 TRP 492 . . A 1 20.962 72.476 48.003 1.00 6.08 ? CD2 TRP 492 A 1 +ATOM 3747 N NE1 TRP 492 . . A 1 21.616 70.329 48.509 1.00 9.72 ? NE1 TRP 492 A 1 +ATOM 3748 C CE2 TRP 492 . . A 1 20.594 71.219 48.686 1.00 6.7 ? CE2 TRP 492 A 1 +ATOM 3749 C CE3 TRP 492 . . A 1 20.074 73.558 48.020 1.00 9.07 ? CE3 TRP 492 A 1 +ATOM 3750 C CZ2 TRP 492 . . A 1 19.363 71.130 49.348 1.00 5.91 ? CZ2 TRP 492 A 1 +ATOM 3751 C CZ3 TRP 492 . . A 1 18.846 73.430 48.700 1.00 6.97 ? CZ3 TRP 492 A 1 +ATOM 3752 C CH2 TRP 492 . . A 1 18.498 72.235 49.355 1.00 4.77 ? CH2 TRP 492 A 1 +ATOM 3753 N N PRO 493 . . A 1 25.819 70.870 45.921 1.00 17.27 ? N PRO 493 A 1 +ATOM 3754 C CA PRO 493 . . A 1 26.128 69.659 45.145 1.00 19.88 ? CA PRO 493 A 1 +ATOM 3755 C C PRO 493 . . A 1 25.022 68.629 45.075 1.00 20.16 ? C PRO 493 A 1 +ATOM 3756 O O PRO 493 . . A 1 24.136 68.597 45.921 1.00 26.93 ? O PRO 493 A 1 +ATOM 3757 C CB PRO 493 . . A 1 27.271 68.983 45.936 1.00 19.03 ? CB PRO 493 A 1 +ATOM 3758 C CG PRO 493 . . A 1 27.844 70.063 46.857 1.00 22.5 ? CG PRO 493 A 1 +ATOM 3759 C CD PRO 493 . . A 1 26.749 71.135 47.013 1.00 18.43 ? CD PRO 493 A 1 +ATOM 3760 N N LEU 494 . . A 1 25.130 67.751 44.078 1.00 18.42 ? N LEU 494 A 1 +ATOM 3761 C CA LEU 494 . . A 1 24.140 66.682 43.997 1.00 19.26 ? CA LEU 494 A 1 +ATOM 3762 C C LEU 494 . . A 1 24.604 65.687 45.037 1.00 21.65 ? C LEU 494 A 1 +ATOM 3763 O O LEU 494 . . A 1 25.778 65.617 45.407 1.00 26.28 ? O LEU 494 A 1 +ATOM 3764 C CB LEU 494 . . A 1 24.198 65.863 42.675 1.00 18.39 ? CB LEU 494 A 1 +ATOM 3765 C CG LEU 494 . . A 1 23.502 66.431 41.420 1.00 14.5 ? CG LEU 494 A 1 +ATOM 3766 C CD1 LEU 494 . . A 1 24.072 65.720 40.181 1.00 14.53 ? CD1 LEU 494 A 1 +ATOM 3767 C CD2 LEU 494 . . A 1 21.976 66.245 41.464 1.00 4.23 ? CD2 LEU 494 A 1 +ATOM 3768 N N PHE 495 . . A 1 23.658 64.893 45.485 1.00 20.58 ? N PHE 495 A 1 +ATOM 3769 C CA PHE 495 . . A 1 24.010 63.884 46.449 1.00 24.09 ? CA PHE 495 A 1 +ATOM 3770 C C PHE 495 . . A 1 24.387 62.725 45.561 1.00 25.16 ? C PHE 495 A 1 +ATOM 3771 O O PHE 495 . . A 1 23.678 62.448 44.600 1.00 27.4 ? O PHE 495 A 1 +ATOM 3772 C CB PHE 495 . . A 1 22.790 63.533 47.346 1.00 24 ? CB PHE 495 A 1 +ATOM 3773 C CG PHE 495 . . A 1 23.040 62.305 48.198 1.00 19.91 ? CG PHE 495 A 1 +ATOM 3774 C CD1 PHE 495 . . A 1 22.816 61.023 47.681 1.00 19.53 ? CD1 PHE 495 A 1 +ATOM 3775 C CD2 PHE 495 . . A 1 23.561 62.437 49.487 1.00 19.87 ? CD2 PHE 495 A 1 +ATOM 3776 C CE1 PHE 495 . . A 1 23.152 59.888 48.429 1.00 23.95 ? CE1 PHE 495 A 1 +ATOM 3777 C CE2 PHE 495 . . A 1 23.875 61.305 50.240 1.00 20.88 ? CE2 PHE 495 A 1 +ATOM 3778 C CZ PHE 495 . . A 1 23.690 60.024 49.713 1.00 20.47 ? CZ PHE 495 A 1 +ATOM 3779 N N THR 496 . . A 1 25.487 62.048 45.868 1.00 26.97 ? N THR 496 A 1 +ATOM 3780 C CA THR 496 . . A 1 25.872 60.907 45.060 1.00 28.29 ? CA THR 496 A 1 +ATOM 3781 C C THR 496 . . A 1 26.175 59.786 46.027 1.00 30.14 ? C THR 496 A 1 +ATOM 3782 O O THR 496 . . A 1 26.657 60.005 47.130 1.00 31.89 ? O THR 496 A 1 +ATOM 3783 C CB THR 496 . . A 1 27.053 61.284 44.158 1.00 30.33 ? CB THR 496 A 1 +ATOM 3784 O OG1 THR 496 . . A 1 28.256 61.472 44.897 1.00 36.96 ? OG1 THR 496 A 1 +ATOM 3785 C CG2 THR 496 . . A 1 26.828 62.591 43.379 1.00 34.12 ? CG2 THR 496 A 1 +ATOM 3786 N N THR 497 . . A 1 25.927 58.562 45.611 1.00 31.97 ? N THR 497 A 1 +ATOM 3787 C CA THR 497 . . A 1 26.216 57.468 46.527 1.00 33.76 ? CA THR 497 A 1 +ATOM 3788 C C THR 497 . . A 1 27.712 57.368 46.853 1.00 37.8 ? C THR 497 A 1 +ATOM 3789 O O THR 497 . . A 1 28.118 56.851 47.886 1.00 40.57 ? O THR 497 A 1 +ATOM 3790 C CB THR 497 . . A 1 25.634 56.185 45.937 1.00 32.55 ? CB THR 497 A 1 +ATOM 3791 O OG1 THR 497 . . A 1 26.015 56.130 44.560 1.00 37.23 ? OG1 THR 497 A 1 +ATOM 3792 C CG2 THR 497 . . A 1 24.099 56.140 45.988 1.00 34.37 ? CG2 THR 497 A 1 +ATOM 3793 N N LYS 498 . . A 1 28.511 57.888 45.908 1.00 40.37 ? N LYS 498 A 1 +ATOM 3794 C CA LYS 498 . . A 1 29.960 57.887 46.057 1.00 42.8 ? CA LYS 498 A 1 +ATOM 3795 C C LYS 498 . . A 1 30.373 58.851 47.147 1.00 42.93 ? C LYS 498 A 1 +ATOM 3796 O O LYS 498 . . A 1 30.764 58.517 48.254 1.00 43.73 ? O LYS 498 A 1 +ATOM 3797 C CB LYS 498 . . A 1 30.722 58.284 44.762 1.00 42.58 ? CB LYS 498 A 1 +ATOM 3798 N N GLU 499 . . A 1 30.274 60.117 46.782 1.00 43.38 ? N GLU 499 A 1 +ATOM 3799 C CA GLU 499 . . A 1 30.643 61.219 47.656 1.00 44.02 ? CA GLU 499 A 1 +ATOM 3800 C C GLU 499 . . A 1 29.337 61.877 48.026 1.00 42.03 ? C GLU 499 A 1 +ATOM 3801 O O GLU 499 . . A 1 28.832 62.794 47.380 1.00 45.5 ? O GLU 499 A 1 +ATOM 3802 C CB GLU 499 . . A 1 31.619 62.139 46.899 1.00 45.86 ? CB GLU 499 A 1 +ATOM 3803 C CG GLU 499 . . A 1 31.172 62.342 45.437 1.00 45.32 ? CG GLU 499 A 1 +ATOM 3804 N N GLN 500 . . A 1 28.787 61.317 49.089 1.00 36.62 ? N GLN 500 A 1 +ATOM 3805 C CA GLN 500 . . A 1 27.509 61.713 49.653 1.00 33.88 ? CA GLN 500 A 1 +ATOM 3806 C C GLN 500 . . A 1 27.470 63.138 50.196 1.00 31.5 ? C GLN 500 A 1 +ATOM 3807 O O GLN 500 . . A 1 27.473 63.311 51.409 1.00 37.01 ? O GLN 500 A 1 +ATOM 3808 C CB GLN 500 . . A 1 27.230 60.692 50.764 1.00 35.36 ? CB GLN 500 A 1 +ATOM 3809 C CG GLN 500 . . A 1 27.456 59.250 50.291 1.00 34.03 ? CG GLN 500 A 1 +ATOM 3810 C CD GLN 500 . . A 1 26.779 58.232 51.164 1.00 36.65 ? CD GLN 500 A 1 +ATOM 3811 O OE1 GLN 500 . . A 1 26.191 58.493 52.215 1.00 38.59 ? OE1 GLN 500 A 1 +ATOM 3812 N NE2 GLN 500 . . A 1 26.894 57.016 50.684 1.00 39.33 ? NE2 GLN 500 A 1 +ATOM 3813 N N LYS 501 . . A 1 27.434 64.140 49.321 1.00 26.18 ? N LYS 501 A 1 +ATOM 3814 C CA LYS 501 . . A 1 27.421 65.517 49.789 1.00 21.65 ? CA LYS 501 A 1 +ATOM 3815 C C LYS 501 . . A 1 26.041 66.019 50.134 1.00 21.55 ? C LYS 501 A 1 +ATOM 3816 O O LYS 501 . . A 1 25.049 65.554 49.594 1.00 21.6 ? O LYS 501 A 1 +ATOM 3817 C CB LYS 501 . . A 1 27.978 66.424 48.693 1.00 22.57 ? CB LYS 501 A 1 +ATOM 3818 C CG LYS 501 . . A 1 29.489 66.261 48.541 1.00 27.22 ? CG LYS 501 A 1 +ATOM 3819 C CD LYS 501 . . A 1 29.927 66.053 47.091 1.00 34.72 ? CD LYS 501 A 1 +ATOM 3820 C CE LYS 501 . . A 1 31.419 66.344 46.895 1.00 37.58 ? CE LYS 501 A 1 +ATOM 3821 N NZ LYS 501 . . A 1 31.651 67.784 46.932 1.00 41.05 ? NZ LYS 501 A 1 +ATOM 3822 N N PHE 502 . . A 1 26.030 67.015 51.026 1.00 19.88 ? N PHE 502 A 1 +ATOM 3823 C CA PHE 502 . . A 1 24.828 67.687 51.502 1.00 20.61 ? CA PHE 502 A 1 +ATOM 3824 C C PHE 502 . . A 1 25.297 69.030 51.998 1.00 21.35 ? C PHE 502 A 1 +ATOM 3825 O O PHE 502 . . A 1 26.501 69.257 52.126 1.00 20.82 ? O PHE 502 A 1 +ATOM 3826 C CB PHE 502 . . A 1 24.091 66.939 52.623 1.00 20.67 ? CB PHE 502 A 1 +ATOM 3827 C CG PHE 502 . . A 1 24.852 66.899 53.936 1.00 19.91 ? CG PHE 502 A 1 +ATOM 3828 C CD1 PHE 502 . . A 1 24.654 67.907 54.902 1.00 19.7 ? CD1 PHE 502 A 1 +ATOM 3829 C CD2 PHE 502 . . A 1 25.717 65.828 54.225 1.00 18.02 ? CD2 PHE 502 A 1 +ATOM 3830 C CE1 PHE 502 . . A 1 25.280 67.827 56.149 1.00 16.32 ? CE1 PHE 502 A 1 +ATOM 3831 C CE2 PHE 502 . . A 1 26.338 65.743 55.477 1.00 16.24 ? CE2 PHE 502 A 1 +ATOM 3832 C CZ PHE 502 . . A 1 26.110 66.737 56.438 1.00 16.77 ? CZ PHE 502 A 1 +ATOM 3833 N N ILE 503 . . A 1 24.340 69.909 52.303 1.00 19.7 ? N ILE 503 A 1 +ATOM 3834 C CA ILE 503 . . A 1 24.756 71.214 52.769 1.00 21.62 ? CA ILE 503 A 1 +ATOM 3835 C C ILE 503 . . A 1 24.054 71.584 54.048 1.00 23.19 ? C ILE 503 A 1 +ATOM 3836 O O ILE 503 . . A 1 23.018 71.033 54.414 1.00 26.92 ? O ILE 503 A 1 +ATOM 3837 C CB ILE 503 . . A 1 24.485 72.259 51.670 1.00 20.67 ? CB ILE 503 A 1 +ATOM 3838 C CG1 ILE 503 . . A 1 23.007 72.413 51.293 1.00 18.01 ? CG1 ILE 503 A 1 +ATOM 3839 C CG2 ILE 503 . . A 1 25.304 71.926 50.425 1.00 24.07 ? CG2 ILE 503 A 1 +ATOM 3840 C CD1 ILE 503 . . A 1 22.765 73.733 50.558 1.00 17.69 ? CD1 ILE 503 A 1 +ATOM 3841 N N ASP 504 . . A 1 24.667 72.543 54.740 1.00 23.58 ? N ASP 504 A 1 +ATOM 3842 C CA ASP 504 . . A 1 24.075 73.039 55.972 1.00 24.35 ? CA ASP 504 A 1 +ATOM 3843 C C ASP 504 . . A 1 23.161 74.165 55.530 1.00 23.37 ? C ASP 504 A 1 +ATOM 3844 O O ASP 504 . . A 1 23.494 74.928 54.633 1.00 26.8 ? O ASP 504 A 1 +ATOM 3845 C CB ASP 504 . . A 1 25.142 73.603 56.917 1.00 28.56 ? CB ASP 504 A 1 +ATOM 3846 C CG ASP 504 . . A 1 25.866 72.563 57.755 1.00 31.28 ? CG ASP 504 A 1 +ATOM 3847 O OD1 ASP 504 . . A 1 25.449 71.404 57.795 1.00 30.48 ? OD1 ASP 504 A 1 +ATOM 3848 O OD2 ASP 504 . . A 1 26.854 72.935 58.387 1.00 36.62 ? OD2 ASP 504 A 1 +ATOM 3849 N N LEU 505 . . A 1 22.027 74.291 56.181 1.00 21.29 ? N LEU 505 A 1 +ATOM 3850 C CA LEU 505 . . A 1 21.099 75.326 55.795 1.00 19.77 ? CA LEU 505 A 1 +ATOM 3851 C C LEU 505 . . A 1 20.890 76.199 57.017 1.00 22.78 ? C LEU 505 A 1 +ATOM 3852 O O LEU 505 . . A 1 20.004 75.992 57.834 1.00 27.15 ? O LEU 505 A 1 +ATOM 3853 C CB LEU 505 . . A 1 19.843 74.574 55.338 1.00 16 ? CB LEU 505 A 1 +ATOM 3854 C CG LEU 505 . . A 1 19.007 75.260 54.277 1.00 14.53 ? CG LEU 505 A 1 +ATOM 3855 C CD1 LEU 505 . . A 1 19.803 75.551 52.994 1.00 11.95 ? CD1 LEU 505 A 1 +ATOM 3856 C CD2 LEU 505 . . A 1 17.796 74.358 53.969 1.00 13.12 ? CD2 LEU 505 A 1 +ATOM 3857 N N ASN 506 . . A 1 21.768 77.168 57.181 1.00 22.31 ? N ASN 506 A 1 +ATOM 3858 C CA ASN 506 . . A 1 21.673 78.071 58.314 1.00 23.56 ? CA ASN 506 A 1 +ATOM 3859 C C ASN 506 . . A 1 22.193 79.378 57.791 1.00 26.6 ? C ASN 506 A 1 +ATOM 3860 O O ASN 506 . . A 1 22.670 79.422 56.675 1.00 31.76 ? O ASN 506 A 1 +ATOM 3861 C CB ASN 506 . . A 1 22.439 77.572 59.537 1.00 21.45 ? CB ASN 506 A 1 +ATOM 3862 C CG ASN 506 . . A 1 23.910 77.470 59.239 1.00 21.54 ? CG ASN 506 A 1 +ATOM 3863 O OD1 ASN 506 . . A 1 24.511 78.471 58.895 1.00 15.8 ? OD1 ASN 506 A 1 +ATOM 3864 N ND2 ASN 506 . . A 1 24.483 76.272 59.376 1.00 18.47 ? ND2 ASN 506 A 1 +ATOM 3865 N N THR 507 . . A 1 22.104 80.426 58.594 1.00 26.94 ? N THR 507 A 1 +ATOM 3866 C CA THR 507 . . A 1 22.532 81.752 58.159 1.00 28.8 ? CA THR 507 A 1 +ATOM 3867 C C THR 507 . . A 1 24.014 82.032 57.809 1.00 31.21 ? C THR 507 A 1 +ATOM 3868 O O THR 507 . . A 1 24.354 83.131 57.382 1.00 32.73 ? O THR 507 A 1 +ATOM 3869 C CB THR 507 . . A 1 22.051 82.754 59.214 1.00 29.17 ? CB THR 507 A 1 +ATOM 3870 O OG1 THR 507 . . A 1 22.596 82.406 60.489 1.00 30.67 ? OG1 THR 507 A 1 +ATOM 3871 C CG2 THR 507 . . A 1 20.523 82.841 59.393 1.00 27.48 ? CG2 THR 507 A 1 +ATOM 3872 N N GLU 508 . . A 1 24.918 81.088 58.022 1.00 33.28 ? N GLU 508 A 1 +ATOM 3873 C CA GLU 508 . . A 1 26.312 81.365 57.690 1.00 37.8 ? CA GLU 508 A 1 +ATOM 3874 C C GLU 508 . . A 1 26.534 81.120 56.192 1.00 43.12 ? C GLU 508 A 1 +ATOM 3875 O O GLU 508 . . A 1 25.679 80.610 55.477 1.00 46.45 ? O GLU 508 A 1 +ATOM 3876 C CB GLU 508 . . A 1 27.222 80.495 58.560 1.00 36.74 ? CB GLU 508 A 1 +ATOM 3877 C CG GLU 508 . . A 1 27.087 80.878 60.030 1.00 37.93 ? CG GLU 508 A 1 +ATOM 3878 N N PRO 509 . . A 1 27.753 81.462 55.723 1.00 45.16 ? N PRO 509 A 1 +ATOM 3879 C CA PRO 509 . . A 1 28.326 80.814 54.543 1.00 45.89 ? CA PRO 509 A 1 +ATOM 3880 C C PRO 509 . . A 1 28.195 79.279 54.480 1.00 46.4 ? C PRO 509 A 1 +ATOM 3881 O O PRO 509 . . A 1 28.728 78.532 55.291 1.00 47.25 ? O PRO 509 A 1 +ATOM 3882 C CB PRO 509 . . A 1 29.783 81.285 54.586 1.00 47.53 ? CB PRO 509 A 1 +ATOM 3883 C CG PRO 509 . . A 1 29.772 82.639 55.328 1.00 49.06 ? CG PRO 509 A 1 +ATOM 3884 C CD PRO 509 . . A 1 28.515 82.611 56.209 1.00 47.98 ? CD PRO 509 A 1 +ATOM 3885 N N MET 510 . . A 1 27.466 78.864 53.443 1.00 45.34 ? N MET 510 A 1 +ATOM 3886 C CA MET 510 . . A 1 27.173 77.470 53.140 1.00 43.84 ? CA MET 510 A 1 +ATOM 3887 C C MET 510 . . A 1 28.368 76.540 53.244 1.00 42.69 ? C MET 510 A 1 +ATOM 3888 O O MET 510 . . A 1 29.455 76.849 52.775 1.00 45.05 ? O MET 510 A 1 +ATOM 3889 C CB MET 510 . . A 1 26.687 77.420 51.678 1.00 44.66 ? CB MET 510 A 1 +ATOM 3890 C CG MET 510 . . A 1 25.631 76.352 51.383 1.00 48.03 ? CG MET 510 A 1 +ATOM 3891 S SD MET 510 . . A 1 25.524 76.214 49.574 1.00 48.04 ? SD MET 510 A 1 +ATOM 3892 C CE MET 510 . . A 1 26.976 75.147 49.315 1.00 46.5 ? CE MET 510 A 1 +ATOM 3893 N N LYS 511 . . A 1 28.127 75.365 53.813 1.00 38.25 ? N LYS 511 A 1 +ATOM 3894 C CA LYS 511 . . A 1 29.199 74.402 53.925 1.00 37.85 ? CA LYS 511 A 1 +ATOM 3895 C C LYS 511 . . A 1 28.612 73.139 53.386 1.00 36.58 ? C LYS 511 A 1 +ATOM 3896 O O LYS 511 . . A 1 27.443 72.831 53.590 1.00 41.64 ? O LYS 511 A 1 +ATOM 3897 C CB LYS 511 . . A 1 29.680 74.208 55.364 1.00 39.61 ? CB LYS 511 A 1 +ATOM 3898 C CG LYS 511 . . A 1 30.365 75.483 55.888 1.00 45.9 ? CG LYS 511 A 1 +ATOM 3899 N N VAL 512 . . A 1 29.451 72.433 52.668 1.00 33.4 ? N VAL 512 A 1 +ATOM 3900 C CA VAL 512 . . A 1 29.092 71.186 52.072 1.00 31.1 ? CA VAL 512 A 1 +ATOM 3901 C C VAL 512 . . A 1 29.763 70.204 52.995 1.00 31.86 ? C VAL 512 A 1 +ATOM 3902 O O VAL 512 . . A 1 30.877 70.441 53.458 1.00 35.08 ? O VAL 512 A 1 +ATOM 3903 C CB VAL 512 . . A 1 29.715 71.171 50.663 1.00 29.54 ? CB VAL 512 A 1 +ATOM 3904 C CG1 VAL 512 . . A 1 29.595 69.803 49.976 1.00 24.94 ? CG1 VAL 512 A 1 +ATOM 3905 C CG2 VAL 512 . . A 1 29.173 72.324 49.782 1.00 24.63 ? CG2 VAL 512 A 1 +ATOM 3906 N N HIS 513 . . A 1 29.103 69.099 53.252 1.00 30.57 ? N HIS 513 A 1 +ATOM 3907 C CA HIS 513 . . A 1 29.684 68.110 54.137 1.00 28.81 ? CA HIS 513 A 1 +ATOM 3908 C C HIS 513 . . A 1 29.496 66.808 53.442 1.00 25.76 ? C HIS 513 A 1 +ATOM 3909 O O HIS 513 . . A 1 29.010 66.767 52.325 1.00 25.49 ? O HIS 513 A 1 +ATOM 3910 C CB HIS 513 . . A 1 28.911 68.108 55.460 1.00 30.36 ? CB HIS 513 A 1 +ATOM 3911 C CG HIS 513 . . A 1 29.010 69.433 56.177 1.00 30.18 ? CG HIS 513 A 1 +ATOM 3912 N ND1 HIS 513 . . A 1 29.984 69.762 57.046 1.00 27.05 ? ND1 HIS 513 A 1 +ATOM 3913 C CD2 HIS 513 . . A 1 28.120 70.531 56.077 1.00 30.29 ? CD2 HIS 513 A 1 +ATOM 3914 C CE1 HIS 513 . . A 1 29.710 71.006 57.465 1.00 29.04 ? CE1 HIS 513 A 1 +ATOM 3915 N NE2 HIS 513 . . A 1 28.595 71.488 56.893 1.00 27.19 ? NE2 HIS 513 A 1 +ATOM 3916 N N GLN 514 . . A 1 29.878 65.729 54.107 1.00 26.12 ? N GLN 514 A 1 +ATOM 3917 C CA GLN 514 . . A 1 29.700 64.446 53.466 1.00 28.73 ? CA GLN 514 A 1 +ATOM 3918 C C GLN 514 . . A 1 29.154 63.479 54.488 1.00 26.2 ? C GLN 514 A 1 +ATOM 3919 O O GLN 514 . . A 1 29.258 63.668 55.688 1.00 28.26 ? O GLN 514 A 1 +ATOM 3920 C CB GLN 514 . . A 1 31.047 63.886 52.982 1.00 34.39 ? CB GLN 514 A 1 +ATOM 3921 C CG GLN 514 . . A 1 31.757 64.771 51.948 1.00 43.27 ? CG GLN 514 A 1 +ATOM 3922 C CD GLN 514 . . A 1 32.749 63.918 51.176 1.00 50.37 ? CD GLN 514 A 1 +ATOM 3923 O OE1 GLN 514 . . A 1 32.742 63.829 49.961 1.00 54.52 ? OE1 GLN 514 A 1 +ATOM 3924 N NE2 GLN 514 . . A 1 33.595 63.232 51.934 1.00 54.93 ? NE2 GLN 514 A 1 +ATOM 3925 N N ARG 515 . . A 1 28.572 62.430 53.950 1.00 22.03 ? N ARG 515 A 1 +ATOM 3926 C CA ARG 515 . . A 1 28.017 61.340 54.718 1.00 25.43 ? CA ARG 515 A 1 +ATOM 3927 C C ARG 515 . . A 1 27.241 61.698 55.989 1.00 26.46 ? C ARG 515 A 1 +ATOM 3928 O O ARG 515 . . A 1 27.659 61.338 57.085 1.00 28.69 ? O ARG 515 A 1 +ATOM 3929 C CB ARG 515 . . A 1 29.141 60.360 55.035 1.00 22.7 ? CB ARG 515 A 1 +ATOM 3930 C CG ARG 515 . . A 1 30.029 60.068 53.829 1.00 28.79 ? CG ARG 515 A 1 +ATOM 3931 C CD ARG 515 . . A 1 30.769 58.730 53.914 1.00 32.56 ? CD ARG 515 A 1 +ATOM 3932 N NE ARG 515 . . A 1 31.746 58.638 52.841 1.00 36.56 ? NE ARG 515 A 1 +ATOM 3933 N N LEU 516 . . A 1 26.088 62.384 55.818 1.00 26.31 ? N LEU 516 A 1 +ATOM 3934 C CA LEU 516 . . A 1 25.240 62.770 56.973 1.00 23.29 ? CA LEU 516 A 1 +ATOM 3935 C C LEU 516 . . A 1 25.011 61.575 57.903 1.00 23.73 ? C LEU 516 A 1 +ATOM 3936 O O LEU 516 . . A 1 24.396 60.585 57.519 1.00 27.68 ? O LEU 516 A 1 +ATOM 3937 C CB LEU 516 . . A 1 23.860 63.311 56.494 1.00 18.5 ? CB LEU 516 A 1 +ATOM 3938 C CG LEU 516 . . A 1 22.863 63.749 57.589 1.00 14.83 ? CG LEU 516 A 1 +ATOM 3939 C CD1 LEU 516 . . A 1 23.390 64.914 58.426 1.00 12.67 ? CD1 LEU 516 A 1 +ATOM 3940 C CD2 LEU 516 . . A 1 21.511 64.142 56.982 1.00 13.11 ? CD2 LEU 516 A 1 +ATOM 3941 N N ARG 517 . . A 1 25.558 61.711 59.122 1.00 20.27 ? N ARG 517 A 1 +ATOM 3942 C CA ARG 517 . . A 1 25.469 60.716 60.191 1.00 17.84 ? CA ARG 517 A 1 +ATOM 3943 C C ARG 517 . . A 1 25.761 59.285 59.806 1.00 15.26 ? C ARG 517 A 1 +ATOM 3944 O O ARG 517 . . A 1 24.978 58.420 60.175 1.00 16.45 ? O ARG 517 A 1 +ATOM 3945 C CB ARG 517 . . A 1 24.117 60.794 60.935 1.00 19.67 ? CB ARG 517 A 1 +ATOM 3946 C CG ARG 517 . . A 1 23.890 62.214 61.487 1.00 30.15 ? CG ARG 517 A 1 +ATOM 3947 C CD ARG 517 . . A 1 22.794 62.298 62.550 1.00 36.82 ? CD ARG 517 A 1 +ATOM 3948 N NE ARG 517 . . A 1 23.183 61.635 63.783 1.00 41.57 ? NE ARG 517 A 1 +ATOM 3949 C CZ ARG 517 . . A 1 23.891 62.251 64.733 1.00 43.2 ? CZ ARG 517 A 1 +ATOM 3950 N NH1 ARG 517 . . A 1 24.358 63.482 64.526 1.00 47.32 ? NH1 ARG 517 A 1 +ATOM 3951 N NH2 ARG 517 . . A 1 24.121 61.624 65.890 1.00 42.62 ? NH2 ARG 517 A 1 +ATOM 3952 N N VAL 518 . . A 1 26.889 59.019 59.127 1.00 13.18 ? N VAL 518 A 1 +ATOM 3953 C CA VAL 518 . . A 1 27.135 57.612 58.778 1.00 17.36 ? CA VAL 518 A 1 +ATOM 3954 C C VAL 518 . . A 1 27.213 56.664 59.963 1.00 18.52 ? C VAL 518 A 1 +ATOM 3955 O O VAL 518 . . A 1 26.413 55.754 60.096 1.00 14.69 ? O VAL 518 A 1 +ATOM 3956 C CB VAL 518 . . A 1 28.401 57.398 57.912 1.00 18.87 ? CB VAL 518 A 1 +ATOM 3957 C CG1 VAL 518 . . A 1 27.970 57.120 56.474 1.00 28.46 ? CG1 VAL 518 A 1 +ATOM 3958 C CG2 VAL 518 . . A 1 29.428 58.554 57.996 1.00 21.55 ? CG2 VAL 518 A 1 +ATOM 3959 N N GLN 519 . . A 1 28.214 56.902 60.832 1.00 22.65 ? N GLN 519 A 1 +ATOM 3960 C CA GLN 519 . . A 1 28.449 56.063 62.017 1.00 24.45 ? CA GLN 519 A 1 +ATOM 3961 C C GLN 519 . . A 1 27.175 55.603 62.702 1.00 22.52 ? C GLN 519 A 1 +ATOM 3962 O O GLN 519 . . A 1 26.929 54.421 62.883 1.00 24 ? O GLN 519 A 1 +ATOM 3963 C CB GLN 519 . . A 1 29.347 56.800 63.032 1.00 32.94 ? CB GLN 519 A 1 +ATOM 3964 C CG GLN 519 . . A 1 30.815 57.005 62.565 1.00 45.37 ? CG GLN 519 A 1 +ATOM 3965 C CD GLN 519 . . A 1 31.899 56.076 63.138 1.00 53.76 ? CD GLN 519 A 1 +ATOM 3966 O OE1 GLN 519 . . A 1 32.995 56.074 62.600 1.00 55.27 ? OE1 GLN 519 A 1 +ATOM 3967 N NE2 GLN 519 . . A 1 31.604 55.292 64.188 1.00 57.01 ? NE2 GLN 519 A 1 +ATOM 3968 N N MET 520 . . A 1 26.362 56.589 63.069 1.00 18.13 ? N MET 520 A 1 +ATOM 3969 C CA MET 520 . . A 1 25.139 56.218 63.731 1.00 17.36 ? CA MET 520 A 1 +ATOM 3970 C C MET 520 . . A 1 24.192 55.493 62.790 1.00 17.54 ? C MET 520 A 1 +ATOM 3971 O O MET 520 . . A 1 23.574 54.475 63.097 1.00 20.36 ? O MET 520 A 1 +ATOM 3972 C CB MET 520 . . A 1 24.492 57.463 64.356 1.00 21.26 ? CB MET 520 A 1 +ATOM 3973 C CG MET 520 . . A 1 25.296 58.011 65.558 1.00 29.41 ? CG MET 520 A 1 +ATOM 3974 S SD MET 520 . . A 1 25.354 56.747 66.907 1.00 39.85 ? SD MET 520 A 1 +ATOM 3975 C CE MET 520 . . A 1 27.122 56.322 67.005 1.00 34.92 ? CE MET 520 A 1 +ATOM 3976 N N CYS 521 . . A 1 24.081 56.023 61.579 1.00 17.21 ? N CYS 521 A 1 +ATOM 3977 C CA CYS 521 . . A 1 23.154 55.371 60.677 1.00 14 ? CA CYS 521 A 1 +ATOM 3978 C C CYS 521 . . A 1 23.529 53.950 60.292 1.00 16.98 ? C CYS 521 A 1 +ATOM 3979 O O CYS 521 . . A 1 22.612 53.181 60.031 1.00 17.51 ? O CYS 521 A 1 +ATOM 3980 C CB CYS 521 . . A 1 22.786 56.281 59.529 1.00 8.52 ? CB CYS 521 A 1 +ATOM 3981 S SG CYS 521 . . A 1 21.751 57.655 60.125 1.00 16.59 ? SG CYS 521 A 1 +ATOM 3982 N N VAL 522 . . A 1 24.819 53.545 60.268 1.00 17.4 ? N VAL 522 A 1 +ATOM 3983 C CA VAL 522 . . A 1 25.074 52.145 59.913 1.00 18.14 ? CA VAL 522 A 1 +ATOM 3984 C C VAL 522 . . A 1 24.569 51.258 61.053 1.00 19.65 ? C VAL 522 A 1 +ATOM 3985 O O VAL 522 . . A 1 24.107 50.131 60.864 1.00 20.84 ? O VAL 522 A 1 +ATOM 3986 C CB VAL 522 . . A 1 26.535 51.858 59.422 1.00 18.71 ? CB VAL 522 A 1 +ATOM 3987 C CG1 VAL 522 . . A 1 27.443 53.092 59.300 1.00 18.1 ? CG1 VAL 522 A 1 +ATOM 3988 C CG2 VAL 522 . . A 1 27.275 50.710 60.133 1.00 19.79 ? CG2 VAL 522 A 1 +ATOM 3989 N N PHE 523 . . A 1 24.641 51.823 62.273 1.00 17.39 ? N PHE 523 A 1 +ATOM 3990 C CA PHE 523 . . A 1 24.176 51.083 63.433 1.00 9.03 ? CA PHE 523 A 1 +ATOM 3991 C C PHE 523 . . A 1 22.695 50.785 63.259 1.00 8.45 ? C PHE 523 A 1 +ATOM 3992 O O PHE 523 . . A 1 22.258 49.643 63.346 1.00 3.41 ? O PHE 523 A 1 +ATOM 3993 C CB PHE 523 . . A 1 24.518 51.825 64.769 1.00 7.45 ? CB PHE 523 A 1 +ATOM 3994 C CG PHE 523 . . A 1 23.720 51.305 65.945 1.00 5.37 ? CG PHE 523 A 1 +ATOM 3995 C CD1 PHE 523 . . A 1 24.035 50.067 66.541 1.00 6.23 ? CD1 PHE 523 A 1 +ATOM 3996 C CD2 PHE 523 . . A 1 22.576 52.001 66.370 1.00 3.83 ? CD2 PHE 523 A 1 +ATOM 3997 C CE1 PHE 523 . . A 1 23.190 49.508 67.508 1.00 2 ? CE1 PHE 523 A 1 +ATOM 3998 C CE2 PHE 523 . . A 1 21.724 51.438 67.331 1.00 7.44 ? CE2 PHE 523 A 1 +ATOM 3999 C CZ PHE 523 . . A 1 22.026 50.187 67.892 1.00 6.72 ? CZ PHE 523 A 1 +ATOM 4000 N N TRP 524 . . A 1 21.937 51.834 62.952 1.00 7.86 ? N TRP 524 A 1 +ATOM 4001 C CA TRP 524 . . A 1 20.500 51.585 62.835 1.00 11.1 ? CA TRP 524 A 1 +ATOM 4002 C C TRP 524 . . A 1 20.040 50.879 61.586 1.00 15.89 ? C TRP 524 A 1 +ATOM 4003 O O TRP 524 . . A 1 19.126 50.063 61.596 1.00 17.8 ? O TRP 524 A 1 +ATOM 4004 C CB TRP 524 . . A 1 19.715 52.895 62.845 1.00 12.61 ? CB TRP 524 A 1 +ATOM 4005 C CG TRP 524 . . A 1 19.798 53.607 64.177 1.00 15.47 ? CG TRP 524 A 1 +ATOM 4006 C CD1 TRP 524 . . A 1 20.569 54.758 64.435 1.00 15.71 ? CD1 TRP 524 A 1 +ATOM 4007 C CD2 TRP 524 . . A 1 19.075 53.306 65.356 1.00 18.98 ? CD2 TRP 524 A 1 +ATOM 4008 N NE1 TRP 524 . . A 1 20.342 55.184 65.697 1.00 20.24 ? NE1 TRP 524 A 1 +ATOM 4009 C CE2 TRP 524 . . A 1 19.442 54.362 66.316 1.00 19.98 ? CE2 TRP 524 A 1 +ATOM 4010 C CE3 TRP 524 . . A 1 18.150 52.319 65.742 1.00 19.46 ? CE3 TRP 524 A 1 +ATOM 4011 C CZ2 TRP 524 . . A 1 18.834 54.384 67.573 1.00 19.02 ? CZ2 TRP 524 A 1 +ATOM 4012 C CZ3 TRP 524 . . A 1 17.566 52.368 67.018 1.00 17.22 ? CZ3 TRP 524 A 1 +ATOM 4013 C CH2 TRP 524 . . A 1 17.898 53.396 67.915 1.00 18.94 ? CH2 TRP 524 A 1 +ATOM 4014 N N ASN 525 . . A 1 20.692 51.232 60.494 1.00 17.1 ? N ASN 525 A 1 +ATOM 4015 C CA ASN 525 . . A 1 20.282 50.645 59.219 1.00 16.79 ? CA ASN 525 A 1 +ATOM 4016 C C ASN 525 . . A 1 20.845 49.277 58.944 1.00 14.42 ? C ASN 525 A 1 +ATOM 4017 O O ASN 525 . . A 1 20.261 48.520 58.189 1.00 16.93 ? O ASN 525 A 1 +ATOM 4018 C CB ASN 525 . . A 1 20.606 51.587 58.051 1.00 17.2 ? CB ASN 525 A 1 +ATOM 4019 C CG ASN 525 . . A 1 19.745 52.837 58.125 1.00 18.04 ? CG ASN 525 A 1 +ATOM 4020 O OD1 ASN 525 . . A 1 18.776 52.946 58.867 1.00 21.34 ? OD1 ASN 525 A 1 +ATOM 4021 N ND2 ASN 525 . . A 1 20.136 53.832 57.342 1.00 14.58 ? ND2 ASN 525 A 1 +ATOM 4022 N N GLN 526 . . A 1 21.976 48.930 59.546 1.00 12.51 ? N GLN 526 A 1 +ATOM 4023 C CA GLN 526 . . A 1 22.513 47.607 59.243 1.00 14.28 ? CA GLN 526 A 1 +ATOM 4024 C C GLN 526 . . A 1 22.716 46.736 60.470 1.00 16.98 ? C GLN 526 A 1 +ATOM 4025 O O GLN 526 . . A 1 22.320 45.578 60.494 1.00 19.08 ? O GLN 526 A 1 +ATOM 4026 C CB GLN 526 . . A 1 23.829 47.745 58.438 1.00 13.48 ? CB GLN 526 A 1 +ATOM 4027 C CG GLN 526 . . A 1 23.650 48.678 57.207 1.00 17.9 ? CG GLN 526 A 1 +ATOM 4028 N N PHE 527 . . A 1 23.318 47.297 61.527 1.00 16.07 ? N PHE 527 A 1 +ATOM 4029 C CA PHE 527 . . A 1 23.563 46.421 62.686 1.00 16.54 ? CA PHE 527 A 1 +ATOM 4030 C C PHE 527 . . A 1 22.332 46.007 63.488 1.00 16.59 ? C PHE 527 A 1 +ATOM 4031 O O PHE 527 . . A 1 22.007 44.828 63.604 1.00 13.61 ? O PHE 527 A 1 +ATOM 4032 C CB PHE 527 . . A 1 24.655 47.012 63.596 1.00 14.68 ? CB PHE 527 A 1 +ATOM 4033 C CG PHE 527 . . A 1 25.076 46.046 64.677 1.00 10.73 ? CG PHE 527 A 1 +ATOM 4034 C CD1 PHE 527 . . A 1 25.852 44.917 64.363 1.00 11.88 ? CD1 PHE 527 A 1 +ATOM 4035 C CD2 PHE 527 . . A 1 24.671 46.263 66.008 1.00 12.72 ? CD2 PHE 527 A 1 +ATOM 4036 C CE1 PHE 527 . . A 1 26.214 44.004 65.365 1.00 13.01 ? CE1 PHE 527 A 1 +ATOM 4037 C CE2 PHE 527 . . A 1 25.025 45.356 67.012 1.00 8.78 ? CE2 PHE 527 A 1 +ATOM 4038 C CZ PHE 527 . . A 1 25.794 44.223 66.689 1.00 12.29 ? CZ PHE 527 A 1 +ATOM 4039 N N LEU 528 . . A 1 21.662 47.022 64.063 1.00 16.71 ? N LEU 528 A 1 +ATOM 4040 C CA LEU 528 . . A 1 20.475 46.833 64.892 1.00 14.7 ? CA LEU 528 A 1 +ATOM 4041 C C LEU 528 . . A 1 19.553 45.799 64.305 1.00 18.13 ? C LEU 528 A 1 +ATOM 4042 O O LEU 528 . . A 1 19.262 44.812 64.965 1.00 20.42 ? O LEU 528 A 1 +ATOM 4043 C CB LEU 528 . . A 1 19.785 48.171 65.282 1.00 15.48 ? CB LEU 528 A 1 +ATOM 4044 C CG LEU 528 . . A 1 18.899 48.182 66.562 1.00 17.15 ? CG LEU 528 A 1 +ATOM 4045 C CD1 LEU 528 . . A 1 17.433 47.902 66.268 1.00 17.51 ? CD1 LEU 528 A 1 +ATOM 4046 C CD2 LEU 528 . . A 1 19.384 47.234 67.680 1.00 22.24 ? CD2 LEU 528 A 1 +ATOM 4047 N N PRO 529 . . A 1 19.117 45.982 63.041 1.00 21.47 ? N PRO 529 A 1 +ATOM 4048 C CA PRO 529 . . A 1 18.174 45.038 62.469 1.00 19.45 ? CA PRO 529 A 1 +ATOM 4049 C C PRO 529 . . A 1 18.692 43.611 62.490 1.00 19.92 ? C PRO 529 A 1 +ATOM 4050 O O PRO 529 . . A 1 17.931 42.702 62.791 1.00 22.84 ? O PRO 529 A 1 +ATOM 4051 C CB PRO 529 . . A 1 17.891 45.584 61.059 1.00 20.48 ? CB PRO 529 A 1 +ATOM 4052 C CG PRO 529 . . A 1 18.428 47.033 61.030 1.00 22.9 ? CG PRO 529 A 1 +ATOM 4053 C CD PRO 529 . . A 1 19.505 47.054 62.112 1.00 24.83 ? CD PRO 529 A 1 +ATOM 4054 N N LYS 530 . . A 1 19.993 43.418 62.184 1.00 20.19 ? N LYS 530 A 1 +ATOM 4055 C CA LYS 530 . . A 1 20.520 42.043 62.197 1.00 21.49 ? CA LYS 530 A 1 +ATOM 4056 C C LYS 530 . . A 1 20.456 41.436 63.567 1.00 22.31 ? C LYS 530 A 1 +ATOM 4057 O O LYS 530 . . A 1 20.130 40.275 63.761 1.00 21.11 ? O LYS 530 A 1 +ATOM 4058 C CB LYS 530 . . A 1 22.023 41.919 61.863 1.00 24.91 ? CB LYS 530 A 1 +ATOM 4059 C CG LYS 530 . . A 1 22.412 42.144 60.399 1.00 33.7 ? CG LYS 530 A 1 +ATOM 4060 C CD LYS 530 . . A 1 23.846 41.645 60.116 1.00 35.91 ? CD LYS 530 A 1 +ATOM 4061 C CE LYS 530 . . A 1 23.982 40.107 60.198 1.00 38.83 ? CE LYS 530 A 1 +ATOM 4062 N NZ LYS 530 . . A 1 25.241 39.667 59.617 1.00 41.88 ? NZ LYS 530 A 1 +ATOM 4063 N N LEU 531 . . A 1 20.847 42.280 64.517 1.00 22.3 ? N LEU 531 A 1 +ATOM 4064 C CA LEU 531 . . A 1 20.876 41.865 65.898 1.00 18.46 ? CA LEU 531 A 1 +ATOM 4065 C C LEU 531 . . A 1 19.522 41.358 66.294 1.00 17.79 ? C LEU 531 A 1 +ATOM 4066 O O LEU 531 . . A 1 19.353 40.208 66.678 1.00 16.65 ? O LEU 531 A 1 +ATOM 4067 C CB LEU 531 . . A 1 21.411 43.010 66.772 1.00 17.72 ? CB LEU 531 A 1 +ATOM 4068 C CG LEU 531 . . A 1 21.552 42.671 68.270 1.00 15.86 ? CG LEU 531 A 1 +ATOM 4069 C CD1 LEU 531 . . A 1 22.744 43.392 68.889 1.00 16.38 ? CD1 LEU 531 A 1 +ATOM 4070 C CD2 LEU 531 . . A 1 20.288 43.038 69.055 1.00 16.82 ? CD2 LEU 531 A 1 +ATOM 4071 N N LEU 532 . . A 1 18.546 42.244 66.105 1.00 15.97 ? N LEU 532 A 1 +ATOM 4072 C CA LEU 532 . . A 1 17.185 41.887 66.469 1.00 20.58 ? CA LEU 532 A 1 +ATOM 4073 C C LEU 532 . . A 1 16.678 40.657 65.760 1.00 24 ? C LEU 532 A 1 +ATOM 4074 O O LEU 532 . . A 1 15.829 39.963 66.296 1.00 29.22 ? O LEU 532 A 1 +ATOM 4075 C CB LEU 532 . . A 1 16.181 43.042 66.267 1.00 15.9 ? CB LEU 532 A 1 +ATOM 4076 C CG LEU 532 . . A 1 16.396 44.267 67.183 1.00 18.48 ? CG LEU 532 A 1 +ATOM 4077 C CD1 LEU 532 . . A 1 15.331 45.338 66.923 1.00 16.5 ? CD1 LEU 532 A 1 +ATOM 4078 C CD2 LEU 532 . . A 1 16.394 43.907 68.686 1.00 17.77 ? CD2 LEU 532 A 1 +ATOM 4079 N N ASN 533 . . A 1 17.185 40.405 64.549 1.00 27.83 ? N ASN 533 A 1 +ATOM 4080 C CA ASN 533 . . A 1 16.745 39.236 63.789 1.00 28.48 ? CA ASN 533 A 1 +ATOM 4081 C C ASN 533 . . A 1 17.405 37.945 64.224 1.00 30.57 ? C ASN 533 A 1 +ATOM 4082 O O ASN 533 . . A 1 16.837 36.864 64.159 1.00 29.7 ? O ASN 533 A 1 +ATOM 4083 C CB ASN 533 . . A 1 17.090 39.419 62.312 1.00 26.73 ? CB ASN 533 A 1 +ATOM 4084 N N ALA 534 . . A 1 18.662 38.069 64.651 1.00 32.89 ? N ALA 534 A 1 +ATOM 4085 C CA ALA 534 . . A 1 19.349 36.857 65.054 1.00 36.26 ? CA ALA 534 A 1 +ATOM 4086 C C ALA 534 . . A 1 18.814 36.337 66.354 1.00 42.3 ? C ALA 534 A 1 +ATOM 4087 O O ALA 534 . . A 1 18.765 35.133 66.595 1.00 44.56 ? O ALA 534 A 1 +ATOM 4088 C CB ALA 534 . . A 1 20.852 37.072 65.222 1.00 32.57 ? CB ALA 534 A 1 +ATOM 4089 N N THR 535 . . A 1 18.484 37.298 67.215 1.00 47.29 ? N THR 535 A 1 +ATOM 4090 C CA THR 535 . . A 1 17.953 36.960 68.511 1.00 51.46 ? CA THR 535 A 1 +ATOM 4091 C C THR 535 . . A 1 16.502 36.487 68.376 1.00 53.1 ? C THR 535 A 1 +ATOM 4092 O O THR 535 . . A 1 15.627 37.055 69.040 1.00 57.37 ? O THR 535 A 1 +ATOM 4093 C CB THR 535 . . A 1 18.060 38.196 69.422 1.00 53.08 ? CB THR 535 A 1 +ATOM 4094 O OG1 THR 535 . . A 1 19.279 38.910 69.244 1.00 52.38 ? OG1 THR 535 A 1 +ATOM 4095 C CG2 THR 535 . . A 1 18.026 37.829 70.916 1.00 59.93 ? CG2 THR 535 A 1 +HETATM 4096 C C1 THA . . . B 2 6.362 71.261 69.025 1.00 22.38 ? C1 THA 999 A 1 +HETATM 4097 C C2 THA . . . B 2 6.697 70.955 67.712 1.00 25.41 ? C2 THA 999 A 1 +HETATM 4098 C C3 THA . . . B 2 5.719 70.518 66.819 1.00 24.66 ? C3 THA 999 A 1 +HETATM 4099 C C4 THA . . . B 2 4.351 70.381 67.260 1.00 21.7 ? C4 THA 999 A 1 +HETATM 4100 C C5 THA . . . B 2 4.056 70.702 68.603 1.00 20.76 ? C5 THA 999 A 1 +HETATM 4101 C C6 THA . . . B 2 5.053 71.136 69.468 1.00 18.93 ? C6 THA 999 A 1 +HETATM 4102 N N7 THA . . . B 2 6.068 70.236 65.585 1.00 21.62 ? N7 THA 999 A 1 +HETATM 4103 C C8 THA . . . B 2 5.207 69.821 64.683 1.00 20.49 ? C8 THA 999 A 1 +HETATM 4104 C C9 THA . . . B 2 3.833 69.634 64.995 1.00 19.83 ? C9 THA 999 A 1 +HETATM 4105 C C10 THA . . . B 2 3.396 69.933 66.309 1.00 17.75 ? C10 THA 999 A 1 +HETATM 4106 C C11 THA . . . B 2 5.776 69.459 63.289 1.00 18.3 ? C11 THA 999 A 1 +HETATM 4107 C C12 THA . . . B 2 4.736 69.363 62.145 1.00 20.27 ? C12 THA 999 A 1 +HETATM 4108 C C13 THA . . . B 2 3.515 68.540 62.597 1.00 19.36 ? C13 THA 999 A 1 +HETATM 4109 C C14 THA . . . B 2 2.860 69.177 63.848 1.00 21.42 ? C14 THA 999 A 1 +HETATM 4110 N N15 THA . . . B 2 2.092 69.798 66.625 1.00 20.69 ? N15 THA 999 A 1 +HETATM 4111 O O HOH . . . C 3 21.436 52.967 54.670 1.00 16.26 ? O HOH 601 A 1 +HETATM 4112 O O HOH . . . C 3 -9.713 62.939 60.080 1.00 9.25 ? O HOH 602 A 1 +HETATM 4113 O O HOH . . . C 3 24.198 67.851 85.549 1.00 70.2 ? O HOH 603 A 1 +HETATM 4114 O O HOH . . . C 3 3.897 69.768 58.109 1.00 2 ? O HOH 604 A 1 +HETATM 4115 O O HOH . . . C 3 -1.728 70.694 53.271 1.00 6.67 ? O HOH 605 A 1 +HETATM 4116 O O HOH . . . C 3 -14.301 59.527 57.034 1.00 6.46 ? O HOH 606 A 1 +HETATM 4117 O O HOH . . . C 3 -2.078 69.350 67.406 1.00 12.08 ? O HOH 607 A 1 +HETATM 4118 O O HOH . . . C 3 -6.865 62.657 65.578 1.00 12.95 ? O HOH 608 A 1 +HETATM 4119 O O HOH . . . C 3 0.027 70.297 60.632 1.00 6.46 ? O HOH 609 A 1 +HETATM 4120 O O HOH . . . C 3 -3.893 52.228 41.330 1.00 39.68 ? O HOH 610 A 1 +HETATM 4121 O O HOH . . . C 3 7.233 80.005 68.092 1.00 36.26 ? O HOH 611 A 1 +HETATM 4122 O O HOH . . . C 3 24.646 60.791 40.027 1.00 18.08 ? O HOH 612 A 1 +HETATM 4123 O O HOH . . . C 3 21.313 59.198 38.314 1.00 36.84 ? O HOH 613 A 1 +HETATM 4124 O O HOH . . . C 3 -0.421 64.062 59.320 1.00 12.5 ? O HOH 614 A 1 +HETATM 4125 O O HOH . . . C 3 0.001 83.914 58.002 1.00 43.23 ? O HOH 615 A 1 +HETATM 4126 O O HOH . . . C 3 -0.460 66.877 69.033 1.00 36.24 ? O HOH 616 A 1 +HETATM 4127 O O HOH . . . C 3 2.101 41.668 61.980 1.00 40.25 ? O HOH 617 A 1 +HETATM 4128 O O HOH . . . C 3 10.934 56.303 68.662 1.00 12.08 ? O HOH 618 A 1 +HETATM 4129 O O HOH . . . C 3 2.682 81.870 62.939 1.00 32.61 ? O HOH 619 A 1 +HETATM 4130 O O HOH . . . C 3 3.300 53.939 63.596 1.00 18.53 ? O HOH 620 A 1 +HETATM 4131 O O HOH . . . C 3 10.421 48.537 38.102 1.00 64.57 ? O HOH 621 A 1 +HETATM 4132 O O HOH . . . C 3 18.266 72.459 85.879 1.00 58.97 ? O HOH 622 A 1 +HETATM 4133 O O HOH . . . C 3 -1.187 96.318 44.308 1.00 54.71 ? O HOH 623 A 1 +HETATM 4134 O O HOH . . . C 3 10.416 69.328 59.826 1.00 5.83 ? O HOH 624 A 1 +HETATM 4135 O O HOH . . . C 3 -12.114 68.571 37.502 1.00 32.99 ? O HOH 625 A 1 +HETATM 4136 O O HOH . . . C 3 -6.304 61.451 71.954 1.00 42.24 ? O HOH 626 A 1 +HETATM 4137 O O HOH . . . C 3 -6.447 50.296 61.416 1.00 10.24 ? O HOH 627 A 1 +HETATM 4138 O O HOH . . . C 3 2.152 63.062 72.710 1.00 61.59 ? O HOH 628 A 1 +HETATM 4139 O O HOH . . . C 3 31.963 66.709 56.534 1.00 16.65 ? O HOH 629 A 1 +HETATM 4140 O O HOH . . . C 3 9.379 58.011 85.633 1.00 44.47 ? O HOH 630 A 1 +HETATM 4141 O O HOH . . . C 3 -7.920 58.968 44.298 1.00 42.11 ? O HOH 631 A 1 +HETATM 4142 O O HOH . . . C 3 9.288 57.159 35.791 1.00 36.44 ? O HOH 632 A 1 +HETATM 4143 O O HOH . . . C 3 -3.902 51.644 60.543 1.00 9.44 ? O HOH 633 A 1 +HETATM 4144 O O HOH . . . C 3 -0.179 69.329 64.529 1.00 24.06 ? O HOH 634 A 1 +HETATM 4145 O O HOH . . . C 3 12.302 66.886 33.785 1.00 33.25 ? O HOH 635 A 1 +HETATM 4146 O O HOH . . . C 3 -0.829 58.797 69.112 1.00 22.6 ? O HOH 636 A 1 +HETATM 4147 O O HOH . . . C 3 5.229 58.019 35.824 1.00 20.86 ? O HOH 637 A 1 +HETATM 4148 O O HOH . . . C 3 6.341 81.499 64.810 1.00 23.9 ? O HOH 638 A 1 +HETATM 4149 O O HOH . . . C 3 -12.258 64.448 59.540 1.00 42.34 ? O HOH 639 A 1 +HETATM 4150 O O HOH . . . C 3 7.609 52.533 56.827 1.00 30.17 ? O HOH 640 A 1 +HETATM 4151 O O HOH . . . C 3 24.358 57.909 56.015 1.00 36.95 ? O HOH 641 A 1 +HETATM 4152 O O HOH . . . C 3 5.862 63.777 80.088 1.00 61.65 ? O HOH 642 A 1 +HETATM 4153 O O HOH . . . C 3 0.529 71.248 68.951 1.00 20.34 ? O HOH 643 A 1 +HETATM 4154 O O HOH . . . C 3 11.370 63.907 35.699 1.00 19.83 ? O HOH 644 A 1 +HETATM 4155 O O HOH . . . C 3 2.328 91.164 54.939 1.00 13.04 ? O HOH 645 A 1 +HETATM 4156 O O HOH . . . C 3 -15.401 67.703 52.231 1.00 24.77 ? O HOH 646 A 1 +HETATM 4157 O O HOH . . . C 3 -2.176 79.106 62.623 1.00 32.03 ? O HOH 647 A 1 +HETATM 4158 O O HOH . . . C 3 25.329 55.453 53.425 1.00 40.01 ? O HOH 648 A 1 +HETATM 4159 O O HOH . . . C 3 25.021 64.798 35.997 1.00 30.72 ? O HOH 649 A 1 +HETATM 4160 O O HOH . . . C 3 13.669 47.295 59.660 1.00 45.32 ? O HOH 650 A 1 +HETATM 4161 O O HOH . . . C 3 -13.244 50.312 44.199 1.00 54.67 ? O HOH 651 A 1 +HETATM 4162 O O HOH . . . C 3 3.242 83.352 32.284 1.00 34.21 ? O HOH 652 A 1 +HETATM 4163 O O HOH . . . C 3 -5.381 58.887 37.832 1.00 40.03 ? O HOH 653 A 1 +HETATM 4164 O O HOH . . . C 3 12.644 49.806 33.065 1.00 51.32 ? O HOH 654 A 1 +HETATM 4165 O O HOH . . . C 3 7.810 76.268 61.395 1.00 50.53 ? O HOH 655 A 1 +HETATM 4166 O O HOH . . . C 3 -0.969 59.532 33.421 1.00 25.89 ? O HOH 656 A 1 +HETATM 4167 O O HOH . . . C 3 -14.849 67.281 39.525 1.00 42.11 ? O HOH 657 A 1 +HETATM 4168 O O HOH . . . C 3 -18.694 86.088 50.675 1.00 47.8 ? O HOH 658 A 1 +HETATM 4169 O O HOH . . . C 3 -15.520 83.163 31.580 1.00 47.06 ? O HOH 659 A 1 +HETATM 4170 O O HOH . . . C 3 21.328 50.999 53.078 1.00 17.17 ? O HOH 660 A 1 +HETATM 4171 O O HOH . . . C 3 18.419 92.769 62.731 1.00 36.34 ? O HOH 661 A 1 +HETATM 4172 O O HOH . . . C 3 29.951 58.597 85.155 1.00 72.74 ? O HOH 662 A 1 +HETATM 4173 O O HOH . . . C 3 20.915 62.497 36.857 1.00 27.46 ? O HOH 663 A 1 +HETATM 4174 O O HOH . . . C 3 23.889 59.314 35.821 1.00 40.76 ? O HOH 664 A 1 +HETATM 4175 O O HOH . . . C 3 -0.387 90.815 55.611 1.00 41.4 ? O HOH 665 A 1 +HETATM 4176 O O HOH . . . C 3 4.850 58.304 76.420 1.00 53.69 ? O HOH 666 A 1 +HETATM 4177 O O HOH . . . C 3 19.660 62.741 32.748 1.00 83.14 ? O HOH 667 A 1 +HETATM 4178 O O HOH . . . C 3 -19.347 84.392 54.165 1.00 37.79 ? O HOH 668 A 1 +HETATM 4179 O O HOH . . . C 3 11.705 50.605 81.909 1.00 43.68 ? O HOH 669 A 1 +HETATM 4180 O O HOH . . . C 3 13.043 77.224 85.640 1.00 50.32 ? O HOH 670 A 1 +HETATM 4181 O O HOH . . . C 3 32.987 69.879 57.554 1.00 28.33 ? O HOH 671 A 1 +HETATM 4182 O O HOH . . . C 3 22.971 53.558 52.370 1.00 84.49 ? O HOH 672 A 1 +HETATM 4183 O O HOH . . . C 3 15.230 62.617 89.723 1.00 55.09 ? O HOH 673 A 1 +HETATM 4184 O O HOH . . . C 3 8.378 94.303 47.727 1.00 56.64 ? O HOH 674 A 1 +HETATM 4185 O O HOH . . . C 3 -21.202 67.831 58.722 1.00 68.4 ? O HOH 675 A 1 +HETATM 4186 O O HOH . . . C 3 -11.439 84.351 57.579 1.00 46.3 ? O HOH 676 A 1 +HETATM 4187 O O HOH . . . C 3 16.299 59.930 32.317 1.00 40.67 ? O HOH 677 A 1 +HETATM 4188 O O HOH . . . C 3 3.879 46.681 60.148 1.00 67.54 ? O HOH 678 A 1 +HETATM 4189 O O HOH . . . C 3 17.253 64.097 87.165 1.00 52.19 ? O HOH 679 A 1 +HETATM 4190 O O HOH . . . C 3 19.551 31.826 68.006 1.00 39.5 ? O HOH 680 A 1 +HETATM 4191 O O HOH . . . C 3 23.095 67.354 48.330 1.00 12.96 ? O HOH 681 A 1 +HETATM 4192 O O HOH . . . C 3 -13.326 47.816 47.354 1.00 46.29 ? O HOH 682 A 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ASP 1 1 . . . A . n +A 1 2 ASP 2 2 . . . A . n +A 1 3 HIS 3 3 . . . A . n +A 1 4 SER 4 4 4 SER SER A . n +A 1 5 GLU 5 5 5 GLU GLU A . n +A 1 6 LEU 6 6 6 LEU LEU A . n +A 1 7 LEU 7 7 7 LEU LEU A . n +A 1 8 VAL 8 8 8 VAL VAL A . n +A 1 9 ASN 9 9 9 ASN ASN A . n +A 1 10 THR 10 10 10 THR THR A . n +A 1 11 LYS 11 11 11 LYS LYS A . n +A 1 12 SER 12 12 12 SER SER A . n +A 1 13 GLY 13 13 13 GLY GLY A . n +A 1 14 LYS 14 14 14 LYS LYS A . n +A 1 15 VAL 15 15 15 VAL VAL A . n +A 1 16 MET 16 16 16 MET MET A . n +A 1 17 GLY 17 17 17 GLY GLY A . n +A 1 18 THR 18 18 18 THR THR A . n +A 1 19 ARG 19 19 19 ARG ARG A . n +A 1 20 VAL 20 20 20 VAL VAL A . n +A 1 21 PRO 21 21 21 PRO PRO A . n +A 1 22 VAL 22 22 22 VAL VAL A . n +A 1 23 LEU 23 23 23 LEU LEU A . n +A 1 24 SER 24 24 24 SER SER A . n +A 1 25 SER 25 25 25 SER SER A . n +A 1 26 HIS 26 26 26 HIS HIS A . n +A 1 27 ILE 27 27 27 ILE ILE A . n +A 1 28 SER 28 28 28 SER SER A . n +A 1 29 ALA 29 29 29 ALA ALA A . n +A 1 30 PHE 30 30 30 PHE PHE A . n +A 1 31 LEU 31 31 31 LEU LEU A . n +A 1 32 GLY 32 32 32 GLY GLY A . n +A 1 33 ILE 33 33 33 ILE ILE A . n +A 1 34 PRO 34 34 34 PRO PRO A . n +A 1 35 PHE 35 35 35 PHE PHE A . n +A 1 36 ALA 36 36 36 ALA ALA A . n +A 1 37 GLU 37 37 37 GLU GLU A . n +A 1 38 PRO 38 38 38 PRO PRO A . n +A 1 39 PRO 39 39 39 PRO PRO A . n +A 1 40 VAL 40 40 40 VAL VAL A . n +A 1 41 GLY 41 41 41 GLY GLY A . n +A 1 42 ASN 42 42 42 ASN ASN A . n +A 1 43 MET 43 43 43 MET MET A . n +A 1 44 ARG 44 44 44 ARG ARG A . n +A 1 45 PHE 45 45 45 PHE PHE A . n +A 1 46 ARG 46 46 46 ARG ARG A . n +A 1 47 ARG 47 47 47 ARG ARG A . n +A 1 48 PRO 48 48 48 PRO PRO A . n +A 1 49 GLU 49 49 49 GLU GLU A . n +A 1 50 PRO 50 50 50 PRO PRO A . n +A 1 51 LYS 51 51 51 LYS LYS A . n +A 1 52 LYS 52 52 52 LYS LYS A . n +A 1 53 PRO 53 53 53 PRO PRO A . n +A 1 54 TRP 54 54 54 TRP TRP A . n +A 1 55 SER 55 55 55 SER SER A . n +A 1 56 GLY 56 56 56 GLY GLY A . n +A 1 57 VAL 57 57 57 VAL VAL A . n +A 1 58 TRP 58 58 58 TRP TRP A . n +A 1 59 ASN 59 59 59 ASN ASN A . n +A 1 60 ALA 60 60 60 ALA ALA A . n +A 1 61 SER 61 61 61 SER SER A . n +A 1 62 THR 62 62 62 THR THR A . n +A 1 63 TYR 63 63 63 TYR TYR A . n +A 1 64 PRO 64 64 64 PRO PRO A . n +A 1 65 ASN 65 65 65 ASN ASN A . n +A 1 66 ASN 66 66 66 ASN ASN A . n +A 1 67 CYS 67 67 67 CYS CYS A . n +A 1 68 GLN 68 68 68 GLN GLN A . n +A 1 69 GLN 69 69 69 GLN GLN A . n +A 1 70 TYR 70 70 70 TYR TYR A . n +A 1 71 VAL 71 71 71 VAL VAL A . n +A 1 72 ASP 72 72 72 ASP ASP A . n +A 1 73 GLU 73 73 73 GLU GLU A . n +A 1 74 GLN 74 74 74 GLN GLN A . n +A 1 75 PHE 75 75 75 PHE PHE A . n +A 1 76 PRO 76 76 76 PRO PRO A . n +A 1 77 GLY 77 77 77 GLY GLY A . n +A 1 78 PHE 78 78 78 PHE PHE A . n +A 1 79 SER 79 79 79 SER SER A . n +A 1 80 GLY 80 80 80 GLY GLY A . n +A 1 81 SER 81 81 81 SER SER A . n +A 1 82 GLU 82 82 82 GLU GLU A . n +A 1 83 MET 83 83 83 MET MET A . n +A 1 84 TRP 84 84 84 TRP TRP A . n +A 1 85 ASN 85 85 85 ASN ASN A . n +A 1 86 PRO 86 86 86 PRO PRO A . n +A 1 87 ASN 87 87 87 ASN ASN A . n +A 1 88 ARG 88 88 88 ARG ARG A . n +A 1 89 GLU 89 89 89 GLU GLU A . n +A 1 90 MET 90 90 90 MET MET A . n +A 1 91 SER 91 91 91 SER SER A . n +A 1 92 GLU 92 92 92 GLU GLU A . n +A 1 93 ASP 93 93 93 ASP ASP A . n +A 1 94 CYS 94 94 94 CYS CYS A . n +A 1 95 LEU 95 95 95 LEU LEU A . n +A 1 96 TYR 96 96 96 TYR TYR A . n +A 1 97 LEU 97 97 97 LEU LEU A . n +A 1 98 ASN 98 98 98 ASN ASN A . n +A 1 99 ILE 99 99 99 ILE ILE A . n +A 1 100 TRP 100 100 100 TRP TRP A . n +A 1 101 VAL 101 101 101 VAL VAL A . n +A 1 102 PRO 102 102 102 PRO PRO A . n +A 1 103 SER 103 103 103 SER SER A . n +A 1 104 PRO 104 104 104 PRO PRO A . n +A 1 105 ARG 105 105 105 ARG ARG A . n +A 1 106 PRO 106 106 106 PRO PRO A . n +A 1 107 LYS 107 107 107 LYS LYS A . n +A 1 108 SER 108 108 108 SER SER A . n +A 1 109 THR 109 109 109 THR THR A . n +A 1 110 THR 110 110 110 THR THR A . n +A 1 111 VAL 111 111 111 VAL VAL A . n +A 1 112 MET 112 112 112 MET MET A . n +A 1 113 VAL 113 113 113 VAL VAL A . n +A 1 114 TRP 114 114 114 TRP TRP A . n +A 1 115 ILE 115 115 115 ILE ILE A . n +A 1 116 TYR 116 116 116 TYR TYR A . n +A 1 117 GLY 117 117 117 GLY GLY A . n +A 1 118 GLY 118 118 118 GLY GLY A . n +A 1 119 GLY 119 119 119 GLY GLY A . n +A 1 120 PHE 120 120 120 PHE PHE A . n +A 1 121 TYR 121 121 121 TYR TYR A . n +A 1 122 SER 122 122 122 SER SER A . n +A 1 123 GLY 123 123 123 GLY GLY A . n +A 1 124 SER 124 124 124 SER SER A . n +A 1 125 SER 125 125 125 SER SER A . n +A 1 126 THR 126 126 126 THR THR A . n +A 1 127 LEU 127 127 127 LEU LEU A . n +A 1 128 ASP 128 128 128 ASP ASP A . n +A 1 129 VAL 129 129 129 VAL VAL A . n +A 1 130 TYR 130 130 130 TYR TYR A . n +A 1 131 ASN 131 131 131 ASN ASN A . n +A 1 132 GLY 132 132 132 GLY GLY A . n +A 1 133 LYS 133 133 133 LYS LYS A . n +A 1 134 TYR 134 134 134 TYR TYR A . n +A 1 135 LEU 135 135 135 LEU LEU A . n +A 1 136 ALA 136 136 136 ALA ALA A . n +A 1 137 TYR 137 137 137 TYR TYR A . n +A 1 138 THR 138 138 138 THR THR A . n +A 1 139 GLU 139 139 139 GLU GLU A . n +A 1 140 GLU 140 140 140 GLU GLU A . n +A 1 141 VAL 141 141 141 VAL VAL A . n +A 1 142 VAL 142 142 142 VAL VAL A . n +A 1 143 LEU 143 143 143 LEU LEU A . n +A 1 144 VAL 144 144 144 VAL VAL A . n +A 1 145 SER 145 145 145 SER SER A . n +A 1 146 LEU 146 146 146 LEU LEU A . n +A 1 147 SER 147 147 147 SER SER A . n +A 1 148 TYR 148 148 148 TYR TYR A . n +A 1 149 ARG 149 149 149 ARG ARG A . n +A 1 150 VAL 150 150 150 VAL VAL A . n +A 1 151 GLY 151 151 151 GLY GLY A . n +A 1 152 ALA 152 152 152 ALA ALA A . n +A 1 153 PHE 153 153 153 PHE PHE A . n +A 1 154 GLY 154 154 154 GLY GLY A . n +A 1 155 PHE 155 155 155 PHE PHE A . n +A 1 156 LEU 156 156 156 LEU LEU A . n +A 1 157 ALA 157 157 157 ALA ALA A . n +A 1 158 LEU 158 158 158 LEU LEU A . n +A 1 159 HIS 159 159 159 HIS HIS A . n +A 1 160 GLY 160 160 160 GLY GLY A . n +A 1 161 SER 161 161 161 SER SER A . n +A 1 162 GLN 162 162 162 GLN GLN A . n +A 1 163 GLU 163 163 163 GLU GLU A . n +A 1 164 ALA 164 164 164 ALA ALA A . n +A 1 165 PRO 165 165 165 PRO PRO A . n +A 1 166 GLY 166 166 166 GLY GLY A . n +A 1 167 ASN 167 167 167 ASN ASN A . n +A 1 168 VAL 168 168 168 VAL VAL A . n +A 1 169 GLY 169 169 169 GLY GLY A . n +A 1 170 LEU 170 170 170 LEU LEU A . n +A 1 171 LEU 171 171 171 LEU LEU A . n +A 1 172 ASP 172 172 172 ASP ASP A . n +A 1 173 GLN 173 173 173 GLN GLN A . n +A 1 174 ARG 174 174 174 ARG ARG A . n +A 1 175 MET 175 175 175 MET MET A . n +A 1 176 ALA 176 176 176 ALA ALA A . n +A 1 177 LEU 177 177 177 LEU LEU A . n +A 1 178 GLN 178 178 178 GLN GLN A . n +A 1 179 TRP 179 179 179 TRP TRP A . n +A 1 180 VAL 180 180 180 VAL VAL A . n +A 1 181 HIS 181 181 181 HIS HIS A . n +A 1 182 ASP 182 182 182 ASP ASP A . n +A 1 183 ASN 183 183 183 ASN ASN A . n +A 1 184 ILE 184 184 184 ILE ILE A . n +A 1 185 GLN 185 185 185 GLN GLN A . n +A 1 186 PHE 186 186 186 PHE PHE A . n +A 1 187 PHE 187 187 187 PHE PHE A . n +A 1 188 GLY 188 188 188 GLY GLY A . n +A 1 189 GLY 189 189 189 GLY GLY A . n +A 1 190 ASP 190 190 190 ASP ASP A . n +A 1 191 PRO 191 191 191 PRO PRO A . n +A 1 192 LYS 192 192 192 LYS LYS A . n +A 1 193 THR 193 193 193 THR THR A . n +A 1 194 VAL 194 194 194 VAL VAL A . n +A 1 195 THR 195 195 195 THR THR A . n +A 1 196 ILE 196 196 196 ILE ILE A . n +A 1 197 PHE 197 197 197 PHE PHE A . n +A 1 198 GLY 198 198 198 GLY GLY A . n +A 1 199 GLU 199 199 199 GLU GLU A . n +A 1 200 SER 200 200 200 SER SER A . n +A 1 201 ALA 201 201 201 ALA ALA A . n +A 1 202 GLY 202 202 202 GLY GLY A . n +A 1 203 GLY 203 203 203 GLY GLY A . n +A 1 204 ALA 204 204 204 ALA ALA A . n +A 1 205 SER 205 205 205 SER SER A . n +A 1 206 VAL 206 206 206 VAL VAL A . n +A 1 207 GLY 207 207 207 GLY GLY A . n +A 1 208 MET 208 208 208 MET MET A . n +A 1 209 HIS 209 209 209 HIS HIS A . n +A 1 210 ILE 210 210 210 ILE ILE A . n +A 1 211 LEU 211 211 211 LEU LEU A . n +A 1 212 SER 212 212 212 SER SER A . n +A 1 213 PRO 213 213 213 PRO PRO A . n +A 1 214 GLY 214 214 214 GLY GLY A . n +A 1 215 SER 215 215 215 SER SER A . n +A 1 216 ARG 216 216 216 ARG ARG A . n +A 1 217 ASP 217 217 217 ASP ASP A . n +A 1 218 LEU 218 218 218 LEU LEU A . n +A 1 219 PHE 219 219 219 PHE PHE A . n +A 1 220 ARG 220 220 220 ARG ARG A . n +A 1 221 ARG 221 221 221 ARG ARG A . n +A 1 222 ALA 222 222 222 ALA ALA A . n +A 1 223 ILE 223 223 223 ILE ILE A . n +A 1 224 LEU 224 224 224 LEU LEU A . n +A 1 225 GLN 225 225 225 GLN GLN A . n +A 1 226 SER 226 226 226 SER SER A . n +A 1 227 GLY 227 227 227 GLY GLY A . n +A 1 228 SER 228 228 228 SER SER A . n +A 1 229 PRO 229 229 229 PRO PRO A . n +A 1 230 ASN 230 230 230 ASN ASN A . n +A 1 231 CYS 231 231 231 CYS CYS A . n +A 1 232 PRO 232 232 232 PRO PRO A . n +A 1 233 TRP 233 233 233 TRP TRP A . n +A 1 234 ALA 234 234 234 ALA ALA A . n +A 1 235 SER 235 235 235 SER SER A . n +A 1 236 VAL 236 236 236 VAL VAL A . n +A 1 237 SER 237 237 237 SER SER A . n +A 1 238 VAL 238 238 238 VAL VAL A . n +A 1 239 ALA 239 239 239 ALA ALA A . n +A 1 240 GLU 240 240 240 GLU GLU A . n +A 1 241 GLY 241 241 241 GLY GLY A . n +A 1 242 ARG 242 242 242 ARG ARG A . n +A 1 243 ARG 243 243 243 ARG ARG A . n +A 1 244 ARG 244 244 244 ARG ARG A . n +A 1 245 ALA 245 245 245 ALA ALA A . n +A 1 246 VAL 246 246 246 VAL VAL A . n +A 1 247 GLU 247 247 247 GLU GLU A . n +A 1 248 LEU 248 248 248 LEU LEU A . n +A 1 249 GLY 249 249 249 GLY GLY A . n +A 1 250 ARG 250 250 250 ARG ARG A . n +A 1 251 ASN 251 251 251 ASN ASN A . n +A 1 252 LEU 252 252 252 LEU LEU A . n +A 1 253 ASN 253 253 253 ASN ASN A . n +A 1 254 CYS 254 254 254 CYS CYS A . n +A 1 255 ASN 255 255 255 ASN ASN A . n +A 1 256 LEU 256 256 256 LEU LEU A . n +A 1 257 ASN 257 257 257 ASN ASN A . n +A 1 258 SER 258 258 258 SER SER A . n +A 1 259 ASP 259 259 259 ASP ASP A . n +A 1 260 GLU 260 260 260 GLU GLU A . n +A 1 261 GLU 261 261 261 GLU GLU A . n +A 1 262 LEU 262 262 262 LEU LEU A . n +A 1 263 ILE 263 263 263 ILE ILE A . n +A 1 264 HIS 264 264 264 HIS HIS A . n +A 1 265 CYS 265 265 265 CYS CYS A . n +A 1 266 LEU 266 266 266 LEU LEU A . n +A 1 267 ARG 267 267 267 ARG ARG A . n +A 1 268 GLU 268 268 268 GLU GLU A . n +A 1 269 LYS 269 269 269 LYS LYS A . n +A 1 270 LYS 270 270 270 LYS LYS A . n +A 1 271 PRO 271 271 271 PRO PRO A . n +A 1 272 GLN 272 272 272 GLN GLN A . n +A 1 273 GLU 273 273 273 GLU GLU A . n +A 1 274 LEU 274 274 274 LEU LEU A . n +A 1 275 ILE 275 275 275 ILE ILE A . n +A 1 276 ASP 276 276 276 ASP ASP A . n +A 1 277 VAL 277 277 277 VAL VAL A . n +A 1 278 GLU 278 278 278 GLU GLU A . n +A 1 279 TRP 279 279 279 TRP TRP A . n +A 1 280 ASN 280 280 280 ASN ASN A . n +A 1 281 VAL 281 281 281 VAL VAL A . n +A 1 282 LEU 282 282 282 LEU LEU A . n +A 1 283 PRO 283 283 283 PRO PRO A . n +A 1 284 PHE 284 284 284 PHE PHE A . n +A 1 285 ASP 285 285 285 ASP ASP A . n +A 1 286 SER 286 286 286 SER SER A . n +A 1 287 ILE 287 287 287 ILE ILE A . n +A 1 288 PHE 288 288 288 PHE PHE A . n +A 1 289 ARG 289 289 289 ARG ARG A . n +A 1 290 PHE 290 290 290 PHE PHE A . n +A 1 291 SER 291 291 291 SER SER A . n +A 1 292 PHE 292 292 292 PHE PHE A . n +A 1 293 VAL 293 293 293 VAL VAL A . n +A 1 294 PRO 294 294 294 PRO PRO A . n +A 1 295 VAL 295 295 295 VAL VAL A . n +A 1 296 ILE 296 296 296 ILE ILE A . n +A 1 297 ASP 297 297 297 ASP ASP A . n +A 1 298 GLY 298 298 298 GLY GLY A . n +A 1 299 GLU 299 299 299 GLU GLU A . n +A 1 300 PHE 300 300 300 PHE PHE A . n +A 1 301 PHE 301 301 301 PHE PHE A . n +A 1 302 PRO 302 302 302 PRO PRO A . n +A 1 303 THR 303 303 303 THR THR A . n +A 1 304 SER 304 304 304 SER SER A . n +A 1 305 LEU 305 305 305 LEU LEU A . n +A 1 306 GLU 306 306 306 GLU GLU A . n +A 1 307 SER 307 307 307 SER SER A . n +A 1 308 MET 308 308 308 MET MET A . n +A 1 309 LEU 309 309 309 LEU LEU A . n +A 1 310 ASN 310 310 310 ASN ASN A . n +A 1 311 SER 311 311 311 SER SER A . n +A 1 312 GLY 312 312 312 GLY GLY A . n +A 1 313 ASN 313 313 313 ASN ASN A . n +A 1 314 PHE 314 314 314 PHE PHE A . n +A 1 315 LYS 315 315 315 LYS LYS A . n +A 1 316 LYS 316 316 316 LYS LYS A . n +A 1 317 THR 317 317 317 THR THR A . n +A 1 318 GLN 318 318 318 GLN GLN A . n +A 1 319 ILE 319 319 319 ILE ILE A . n +A 1 320 LEU 320 320 320 LEU LEU A . n +A 1 321 LEU 321 321 321 LEU LEU A . n +A 1 322 GLY 322 322 322 GLY GLY A . n +A 1 323 VAL 323 323 323 VAL VAL A . n +A 1 324 ASN 324 324 324 ASN ASN A . n +A 1 325 LYS 325 325 325 LYS LYS A . n +A 1 326 ASP 326 326 326 ASP ASP A . n +A 1 327 GLU 327 327 327 GLU GLU A . n +A 1 328 GLY 328 328 328 GLY GLY A . n +A 1 329 SER 329 329 329 SER SER A . n +A 1 330 PHE 330 330 330 PHE PHE A . n +A 1 331 PHE 331 331 331 PHE PHE A . n +A 1 332 LEU 332 332 332 LEU LEU A . n +A 1 333 LEU 333 333 333 LEU LEU A . n +A 1 334 TYR 334 334 334 TYR TYR A . n +A 1 335 GLY 335 335 335 GLY GLY A . n +A 1 336 ALA 336 336 336 ALA ALA A . n +A 1 337 PRO 337 337 337 PRO PRO A . n +A 1 338 GLY 338 338 338 GLY GLY A . n +A 1 339 PHE 339 339 339 PHE PHE A . n +A 1 340 SER 340 340 340 SER SER A . n +A 1 341 LYS 341 341 341 LYS LYS A . n +A 1 342 ASP 342 342 342 ASP ASP A . n +A 1 343 SER 343 343 343 SER SER A . n +A 1 344 GLU 344 344 344 GLU GLU A . n +A 1 345 SER 345 345 345 SER SER A . n +A 1 346 LYS 346 346 346 LYS LYS A . n +A 1 347 ILE 347 347 347 ILE ILE A . n +A 1 348 SER 348 348 348 SER SER A . n +A 1 349 ARG 349 349 349 ARG ARG A . n +A 1 350 GLU 350 350 350 GLU GLU A . n +A 1 351 ASP 351 351 351 ASP ASP A . n +A 1 352 PHE 352 352 352 PHE PHE A . n +A 1 353 MET 353 353 353 MET MET A . n +A 1 354 SER 354 354 354 SER SER A . n +A 1 355 GLY 355 355 355 GLY GLY A . n +A 1 356 VAL 356 356 356 VAL VAL A . n +A 1 357 LYS 357 357 357 LYS LYS A . n +A 1 358 LEU 358 358 358 LEU LEU A . n +A 1 359 SER 359 359 359 SER SER A . n +A 1 360 VAL 360 360 360 VAL VAL A . n +A 1 361 PRO 361 361 361 PRO PRO A . n +A 1 362 HIS 362 362 362 HIS HIS A . n +A 1 363 ALA 363 363 363 ALA ALA A . n +A 1 364 ASN 364 364 364 ASN ASN A . n +A 1 365 ASP 365 365 365 ASP ASP A . n +A 1 366 LEU 366 366 366 LEU LEU A . n +A 1 367 GLY 367 367 367 GLY GLY A . n +A 1 368 LEU 368 368 368 LEU LEU A . n +A 1 369 ASP 369 369 369 ASP ASP A . n +A 1 370 ALA 370 370 370 ALA ALA A . n +A 1 371 VAL 371 371 371 VAL VAL A . n +A 1 372 THR 372 372 372 THR THR A . n +A 1 373 LEU 373 373 373 LEU LEU A . n +A 1 374 GLN 374 374 374 GLN GLN A . n +A 1 375 TYR 375 375 375 TYR TYR A . n +A 1 376 THR 376 376 376 THR THR A . n +A 1 377 ASP 377 377 377 ASP ASP A . n +A 1 378 TRP 378 378 378 TRP TRP A . n +A 1 379 MET 379 379 379 MET MET A . n +A 1 380 ASP 380 380 380 ASP ASP A . n +A 1 381 ASP 381 381 381 ASP ASP A . n +A 1 382 ASN 382 382 382 ASN ASN A . n +A 1 383 ASN 383 383 383 ASN ASN A . n +A 1 384 GLY 384 384 384 GLY GLY A . n +A 1 385 ILE 385 385 385 ILE ILE A . n +A 1 386 LYS 386 386 386 LYS LYS A . n +A 1 387 ASN 387 387 387 ASN ASN A . n +A 1 388 ARG 388 388 388 ARG ARG A . n +A 1 389 ASP 389 389 389 ASP ASP A . n +A 1 390 GLY 390 390 390 GLY GLY A . n +A 1 391 LEU 391 391 391 LEU LEU A . n +A 1 392 ASP 392 392 392 ASP ASP A . n +A 1 393 ASP 393 393 393 ASP ASP A . n +A 1 394 ILE 394 394 394 ILE ILE A . n +A 1 395 VAL 395 395 395 VAL VAL A . n +A 1 396 GLY 396 396 396 GLY GLY A . n +A 1 397 ASP 397 397 397 ASP ASP A . n +A 1 398 HIS 398 398 398 HIS HIS A . n +A 1 399 ASN 399 399 399 ASN ASN A . n +A 1 400 VAL 400 400 400 VAL VAL A . n +A 1 401 ILE 401 401 401 ILE ILE A . n +A 1 402 CYS 402 402 402 CYS CYS A . n +A 1 403 PRO 403 403 403 PRO PRO A . n +A 1 404 LEU 404 404 404 LEU LEU A . n +A 1 405 MET 405 405 405 MET MET A . n +A 1 406 HIS 406 406 406 HIS HIS A . n +A 1 407 PHE 407 407 407 PHE PHE A . n +A 1 408 VAL 408 408 408 VAL VAL A . n +A 1 409 ASN 409 409 409 ASN ASN A . n +A 1 410 LYS 410 410 410 LYS LYS A . n +A 1 411 TYR 411 411 411 TYR TYR A . n +A 1 412 THR 412 412 412 THR THR A . n +A 1 413 LYS 413 413 413 LYS LYS A . n +A 1 414 PHE 414 414 414 PHE PHE A . n +A 1 415 GLY 415 415 415 GLY GLY A . n +A 1 416 ASN 416 416 416 ASN ASN A . n +A 1 417 GLY 417 417 417 GLY GLY A . n +A 1 418 THR 418 418 418 THR THR A . n +A 1 419 TYR 419 419 419 TYR TYR A . n +A 1 420 LEU 420 420 420 LEU LEU A . n +A 1 421 TYR 421 421 421 TYR TYR A . n +A 1 422 PHE 422 422 422 PHE PHE A . n +A 1 423 PHE 423 423 423 PHE PHE A . n +A 1 424 ASN 424 424 424 ASN ASN A . n +A 1 425 HIS 425 425 425 HIS HIS A . n +A 1 426 ARG 426 426 426 ARG ARG A . n +A 1 427 ALA 427 427 427 ALA ALA A . n +A 1 428 SER 428 428 428 SER SER A . n +A 1 429 ASN 429 429 429 ASN ASN A . n +A 1 430 LEU 430 430 430 LEU LEU A . n +A 1 431 VAL 431 431 431 VAL VAL A . n +A 1 432 TRP 432 432 432 TRP TRP A . n +A 1 433 PRO 433 433 433 PRO PRO A . n +A 1 434 GLU 434 434 434 GLU GLU A . n +A 1 435 TRP 435 435 435 TRP TRP A . n +A 1 436 MET 436 436 436 MET MET A . n +A 1 437 GLY 437 437 437 GLY GLY A . n +A 1 438 VAL 438 438 438 VAL VAL A . n +A 1 439 ILE 439 439 439 ILE ILE A . n +A 1 440 HIS 440 440 440 HIS HIS A . n +A 1 441 GLY 441 441 441 GLY GLY A . n +A 1 442 TYR 442 442 442 TYR TYR A . n +A 1 443 GLU 443 443 443 GLU GLU A . n +A 1 444 ILE 444 444 444 ILE ILE A . n +A 1 445 GLU 445 445 445 GLU GLU A . n +A 1 446 PHE 446 446 446 PHE PHE A . n +A 1 447 VAL 447 447 447 VAL VAL A . n +A 1 448 PHE 448 448 448 PHE PHE A . n +A 1 449 GLY 449 449 449 GLY GLY A . n +A 1 450 LEU 450 450 450 LEU LEU A . n +A 1 451 PRO 451 451 451 PRO PRO A . n +A 1 452 LEU 452 452 452 LEU LEU A . n +A 1 453 VAL 453 453 453 VAL VAL A . n +A 1 454 LYS 454 454 454 LYS LYS A . n +A 1 455 GLU 455 455 455 GLU GLU A . n +A 1 456 LEU 456 456 456 LEU LEU A . n +A 1 457 ASN 457 457 457 ASN ASN A . n +A 1 458 TYR 458 458 458 TYR TYR A . n +A 1 459 THR 459 459 459 THR THR A . n +A 1 460 ALA 460 460 460 ALA ALA A . n +A 1 461 GLU 461 461 461 GLU GLU A . n +A 1 462 GLU 462 462 462 GLU GLU A . n +A 1 463 GLU 463 463 463 GLU GLU A . n +A 1 464 ALA 464 464 464 ALA ALA A . n +A 1 465 LEU 465 465 465 LEU LEU A . n +A 1 466 SER 466 466 466 SER SER A . n +A 1 467 ARG 467 467 467 ARG ARG A . n +A 1 468 ARG 468 468 468 ARG ARG A . n +A 1 469 ILE 469 469 469 ILE ILE A . n +A 1 470 MET 470 470 470 MET MET A . n +A 1 471 HIS 471 471 471 HIS HIS A . n +A 1 472 TYR 472 472 472 TYR TYR A . n +A 1 473 TRP 473 473 473 TRP TRP A . n +A 1 474 ALA 474 474 474 ALA ALA A . n +A 1 475 THR 475 475 475 THR THR A . n +A 1 476 PHE 476 476 476 PHE PHE A . n +A 1 477 ALA 477 477 477 ALA ALA A . n +A 1 478 LYS 478 478 478 LYS LYS A . n +A 1 479 THR 479 479 479 THR THR A . n +A 1 480 GLY 480 480 480 GLY GLY A . n +A 1 481 ASN 481 481 481 ASN ASN A . n +A 1 482 PRO 482 482 482 PRO PRO A . n +A 1 483 ASN 483 483 483 ASN ASN A . n +A 1 484 GLU 484 484 484 GLU GLU A . n +A 1 485 PRO 485 485 485 PRO PRO A . n +A 1 486 HIS 486 486 . . . A . n +A 1 487 SER 487 487 . . . A . n +A 1 488 GLN 488 488 . . . A . n +A 1 489 GLU 489 489 . . . A . n +A 1 490 SER 490 490 490 SER SER A . n +A 1 491 LYS 491 491 491 LYS LYS A . n +A 1 492 TRP 492 492 492 TRP TRP A . n +A 1 493 PRO 493 493 493 PRO PRO A . n +A 1 494 LEU 494 494 494 LEU LEU A . n +A 1 495 PHE 495 495 495 PHE PHE A . n +A 1 496 THR 496 496 496 THR THR A . n +A 1 497 THR 497 497 497 THR THR A . n +A 1 498 LYS 498 498 498 LYS LYS A . n +A 1 499 GLU 499 499 499 GLU GLU A . n +A 1 500 GLN 500 500 500 GLN GLN A . n +A 1 501 LYS 501 501 501 LYS LYS A . n +A 1 502 PHE 502 502 502 PHE PHE A . n +A 1 503 ILE 503 503 503 ILE ILE A . n +A 1 504 ASP 504 504 504 ASP ASP A . n +A 1 505 LEU 505 505 505 LEU LEU A . n +A 1 506 ASN 506 506 506 ASN ASN A . n +A 1 507 THR 507 507 507 THR THR A . n +A 1 508 GLU 508 508 508 GLU GLU A . n +A 1 509 PRO 509 509 509 PRO PRO A . n +A 1 510 MET 510 510 510 MET MET A . n +A 1 511 LYS 511 511 511 LYS LYS A . n +A 1 512 VAL 512 512 512 VAL VAL A . n +A 1 513 HIS 513 513 513 HIS HIS A . n +A 1 514 GLN 514 514 514 GLN GLN A . n +A 1 515 ARG 515 515 515 ARG ARG A . n +A 1 516 LEU 516 516 516 LEU LEU A . n +A 1 517 ARG 517 517 517 ARG ARG A . n +A 1 518 VAL 518 518 518 VAL VAL A . n +A 1 519 GLN 519 519 519 GLN GLN A . n +A 1 520 MET 520 520 520 MET MET A . n +A 1 521 CYS 521 521 521 CYS CYS A . n +A 1 522 VAL 522 522 522 VAL VAL A . n +A 1 523 PHE 523 523 523 PHE PHE A . n +A 1 524 TRP 524 524 524 TRP TRP A . n +A 1 525 ASN 525 525 525 ASN ASN A . n +A 1 526 GLN 526 526 526 GLN GLN A . n +A 1 527 PHE 527 527 527 PHE PHE A . n +A 1 528 LEU 528 528 528 LEU LEU A . n +A 1 529 PRO 529 529 529 PRO PRO A . n +A 1 530 LYS 530 530 530 LYS LYS A . n +A 1 531 LEU 531 531 531 LEU LEU A . n +A 1 532 LEU 532 532 532 LEU LEU A . n +A 1 533 ASN 533 533 533 ASN ASN A . n +A 1 534 ALA 534 534 534 ALA ALA A . n +A 1 535 THR 535 535 535 THR THR A . n +A 1 536 GLU 536 536 . . . A . n +A 1 537 THR 537 537 . . . A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 THA A 1 999 999 THA THA . +C 3 HOH A 1 601 601 HOH HOH . +C 3 HOH A 2 602 602 HOH HOH . +C 3 HOH A 3 603 603 HOH HOH . +C 3 HOH A 4 604 604 HOH HOH . +C 3 HOH A 5 605 605 HOH HOH . +C 3 HOH A 6 606 606 HOH HOH . +C 3 HOH A 7 607 607 HOH HOH . +C 3 HOH A 8 608 608 HOH HOH . +C 3 HOH A 9 609 609 HOH HOH . +C 3 HOH A 10 610 610 HOH HOH . +C 3 HOH A 11 611 611 HOH HOH . +C 3 HOH A 12 612 612 HOH HOH . +C 3 HOH A 13 613 613 HOH HOH . +C 3 HOH A 14 614 614 HOH HOH . +C 3 HOH A 15 615 615 HOH HOH . +C 3 HOH A 16 616 616 HOH HOH . +C 3 HOH A 17 617 617 HOH HOH . +C 3 HOH A 18 618 618 HOH HOH . +C 3 HOH A 19 619 619 HOH HOH . +C 3 HOH A 20 620 620 HOH HOH . +C 3 HOH A 21 621 621 HOH HOH . +C 3 HOH A 22 622 622 HOH HOH . +C 3 HOH A 23 623 623 HOH HOH . +C 3 HOH A 24 624 624 HOH HOH . +C 3 HOH A 25 625 625 HOH HOH . +C 3 HOH A 26 626 626 HOH HOH . +C 3 HOH A 27 627 627 HOH HOH . +C 3 HOH A 28 628 628 HOH HOH . +C 3 HOH A 29 629 629 HOH HOH . +C 3 HOH A 30 630 630 HOH HOH . +C 3 HOH A 31 631 631 HOH HOH . +C 3 HOH A 32 632 632 HOH HOH . +C 3 HOH A 33 633 633 HOH HOH . +C 3 HOH A 34 634 634 HOH HOH . +C 3 HOH A 35 635 635 HOH HOH . +C 3 HOH A 36 636 636 HOH HOH . +C 3 HOH A 37 637 637 HOH HOH . +C 3 HOH A 38 638 638 HOH HOH . +C 3 HOH A 39 639 639 HOH HOH . +C 3 HOH A 40 640 640 HOH HOH . +C 3 HOH A 41 641 641 HOH HOH . +C 3 HOH A 42 642 642 HOH HOH . +C 3 HOH A 43 643 643 HOH HOH . +C 3 HOH A 44 644 644 HOH HOH . +C 3 HOH A 45 645 645 HOH HOH . +C 3 HOH A 46 646 646 HOH HOH . +C 3 HOH A 47 647 647 HOH HOH . +C 3 HOH A 48 648 648 HOH HOH . +C 3 HOH A 49 649 649 HOH HOH . +C 3 HOH A 50 650 650 HOH HOH . +C 3 HOH A 51 651 651 HOH HOH . +C 3 HOH A 52 652 652 HOH HOH . +C 3 HOH A 53 653 653 HOH HOH . +C 3 HOH A 54 654 654 HOH HOH . +C 3 HOH A 55 655 655 HOH HOH . +C 3 HOH A 56 656 656 HOH HOH . +C 3 HOH A 57 657 657 HOH HOH . +C 3 HOH A 58 658 658 HOH HOH . +C 3 HOH A 59 659 659 HOH HOH . +C 3 HOH A 60 660 660 HOH HOH . +C 3 HOH A 61 661 661 HOH HOH . +C 3 HOH A 62 662 662 HOH HOH . +C 3 HOH A 63 663 663 HOH HOH . +C 3 HOH A 64 664 664 HOH HOH . +C 3 HOH A 65 665 665 HOH HOH . +C 3 HOH A 66 666 666 HOH HOH . +C 3 HOH A 67 667 667 HOH HOH . +C 3 HOH A 68 668 668 HOH HOH . +C 3 HOH A 69 669 669 HOH HOH . +C 3 HOH A 70 670 670 HOH HOH . +C 3 HOH A 71 671 671 HOH HOH . +C 3 HOH A 72 672 672 HOH HOH . +C 3 HOH A 73 673 673 HOH HOH . +C 3 HOH A 74 674 674 HOH HOH . +C 3 HOH A 75 675 675 HOH HOH . +C 3 HOH A 76 676 676 HOH HOH . +C 3 HOH A 77 677 677 HOH HOH . +C 3 HOH A 78 678 678 HOH HOH . +C 3 HOH A 79 679 679 HOH HOH . +C 3 HOH A 80 680 680 HOH HOH . +C 3 HOH A 81 681 681 HOH HOH . +C 3 HOH A 82 682 682 HOH HOH . +# +_pdbx_struct_assembly.method_details PISA +_pdbx_struct_assembly.oligomeric_details dimeric +_pdbx_struct_assembly.oligomeric_count 2 +_pdbx_struct_assembly.details author_and_software_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B,C +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1,2 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 2940 . +1 MORE -12 . +1 'SSA (A^2)' 35930 . +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1 0 0 0 1 0 0 0 1 0 0 0 +2 'crystal symmetry operation' 4_556 y,x,-z+1 -0.5 0.866025 0 0.866025 0.5 0 0 0 -1 0 0 138.1 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1994-08-31 +2 'Structure model' 1 1 2008-03-03 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2016-06-29 +5 'Structure model' 1 4 2021-08-25 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +_pdbx_audit_revision_details.details . +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Derived calculations' +4 5 'Structure model' 'Database references' +5 5 'Structure model' 'Derived calculations' +6 5 'Structure model' Other +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 5 'Structure model' database_2 +2 5 'Structure model' pdbx_database_status +3 5 'Structure model' struct_site +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 5 'Structure model' '_database_2.pdbx_DOI' +2 5 'Structure model' '_database_2.pdbx_database_accession' +3 5 'Structure model' '_pdbx_database_status.process_site' +4 5 'Structure model' '_struct_site.pdbx_auth_asym_id' +5 5 'Structure model' '_struct_site.pdbx_auth_comp_id' +6 5 'Structure model' '_struct_site.pdbx_auth_seq_id' +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +'model building' . . X-PLOR . . 1 +refinement . . X-PLOR . . 2 +phasing . . X-PLOR . . 3 +# +_pdbx_entry_details.entry_id 1ACJ +_pdbx_entry_details.compound_details . +_pdbx_entry_details.source_details . +_pdbx_entry_details.nonpolymer_details 'RESIDUE THA 999 IS BOUND NON-COVALENTLY IN THE ACTIVE SITE.' +_pdbx_entry_details.sequence_details . +_pdbx_entry_details.has_ligand_of_interest . +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 CE2 A TRP 54 . . CD2 A TRP 54 . . 1.485 1.409 0.076 0.012 N +2 1 CG A HIS 159 . . CD2 A HIS 159 . . 1.414 1.354 0.06 0.009 N +3 1 CE2 A TRP 179 . . CD2 A TRP 179 . . 1.488 1.409 0.079 0.012 N +4 1 CG A HIS 181 . . CD2 A HIS 181 . . 1.42 1.354 0.066 0.009 N +5 1 CG A HIS 209 . . CD2 A HIS 209 . . 1.418 1.354 0.064 0.009 N +6 1 CE2 A TRP 233 . . CD2 A TRP 233 . . 1.486 1.409 0.077 0.012 N +7 1 CG A HIS 264 . . CD2 A HIS 264 . . 1.422 1.354 0.068 0.009 N +8 1 CE2 A TRP 279 . . CD2 A TRP 279 . . 1.488 1.409 0.079 0.012 N +9 1 CG A HIS 362 . . CD2 A HIS 362 . . 1.411 1.354 0.057 0.009 N +10 1 CG A HIS 398 . . CD2 A HIS 398 . . 1.42 1.354 0.066 0.009 N +11 1 CG A HIS 406 . . CD2 A HIS 406 . . 1.414 1.354 0.06 0.009 N +12 1 CG A HIS 425 . . CD2 A HIS 425 . . 1.414 1.354 0.06 0.009 N +13 1 CE2 A TRP 432 . . CD2 A TRP 432 . . 1.483 1.409 0.074 0.012 N +14 1 CE2 A TRP 435 . . CD2 A TRP 435 . . 1.484 1.409 0.075 0.012 N +15 1 CG A HIS 440 . . CD2 A HIS 440 . . 1.418 1.354 0.064 0.009 N +16 1 CG A HIS 471 . . CD2 A HIS 471 . . 1.415 1.354 0.061 0.009 N +17 1 CE2 A TRP 473 . . CD2 A TRP 473 . . 1.481 1.409 0.072 0.012 N +18 1 CG A HIS 513 . . CD2 A HIS 513 . . 1.417 1.354 0.063 0.009 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 NE A ARG 47 . . CZ A ARG 47 . . NH1 A ARG 47 . . 124.59 120.3 4.29 0.5 N +2 1 NE A ARG 47 . . CZ A ARG 47 . . NH2 A ARG 47 . . 112.62 120.3 -7.68 0.5 N +3 1 NE A ARG 216 . . CZ A ARG 216 . . NH2 A ARG 216 . . 116.98 120.3 -3.32 0.5 N +4 1 NE A ARG 267 . . CZ A ARG 267 . . NH1 A ARG 267 . . 123.38 120.3 3.08 0.5 N +5 1 N A SER 343 . . CA A SER 343 . . CB A SER 343 . . 101.02 110.5 -9.48 1.5 N +6 1 CB A PHE 414 . . CG A PHE 414 . . CD2 A PHE 414 . . 114.47 120.8 -6.33 0.7 N +7 1 CB A PHE 414 . . CG A PHE 414 . . CD1 A PHE 414 . . 128.77 120.8 7.97 0.7 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 GLU A 5 . . 82.74 -54.44 +2 1 LEU A 23 . . 58.24 -117.52 +3 1 SER A 25 . . -130.9 -148.71 +4 1 PHE A 45 . . 77.9 -13 +5 1 ALA A 60 . . -114.64 54.33 +6 1 CYS A 94 . . -140.13 10.02 +7 1 PHE A 120 . . 71.73 -7.55 +8 1 HIS A 159 . . -18.74 -71.17 +9 1 ASN A 167 . . 45.27 18.23 +10 1 ASN A 183 . . -150.41 -2.07 +11 1 THR A 193 . . -142.72 51.16 +12 1 SER A 200 . . 61.05 -122.35 +13 1 ARG A 220 . . -99.61 -67.37 +14 1 GLU A 299 . . -107.66 -76.18 +15 1 ASP A 326 . . -116.39 78.45 +16 1 SER A 329 . . -24.13 -63.42 +17 1 SER A 345 . . 30.02 69.41 +18 1 VAL A 360 . . -118.47 65.15 +19 1 ASP A 380 . . -162.16 30.81 +20 1 ASP A 381 . . -23.32 -55.24 +21 1 VAL A 400 . . -133.32 -54.2 +22 1 ASN A 416 . . -109.87 40.81 +23 1 LYS A 498 . . -69.78 -73.98 +24 1 GLN A 500 . . -63.7 73.98 +# +loop_ +_pdbx_validate_planes.id +_pdbx_validate_planes.PDB_model_num +_pdbx_validate_planes.auth_comp_id +_pdbx_validate_planes.auth_asym_id +_pdbx_validate_planes.auth_seq_id +_pdbx_validate_planes.PDB_ins_code +_pdbx_validate_planes.label_alt_id +_pdbx_validate_planes.rmsd +_pdbx_validate_planes.type +1 1 TYR A 442 . . 0.063 'SIDE CHAIN' +2 1 TYR A 458 . . 0.07 'SIDE CHAIN' +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 A ARG 19 . NE . A ARG 19 NE +2 1 Y 1 A ARG 19 . CZ . A ARG 19 CZ +3 1 Y 1 A ARG 19 . NH1 . A ARG 19 NH1 +4 1 Y 1 A ARG 19 . NH2 . A ARG 19 NH2 +5 1 Y 1 A HIS 26 . CG . A HIS 26 CG +6 1 Y 1 A HIS 26 . ND1 . A HIS 26 ND1 +7 1 Y 1 A HIS 26 . CD2 . A HIS 26 CD2 +8 1 Y 1 A HIS 26 . CE1 . A HIS 26 CE1 +9 1 Y 1 A HIS 26 . NE2 . A HIS 26 NE2 +10 1 Y 1 A ASN 42 . CG . A ASN 42 CG +11 1 Y 1 A ASN 42 . OD1 . A ASN 42 OD1 +12 1 Y 1 A ASN 42 . ND2 . A ASN 42 ND2 +13 1 Y 1 A ARG 46 . CZ . A ARG 46 CZ +14 1 Y 1 A ARG 46 . NH1 . A ARG 46 NH1 +15 1 Y 1 A ARG 46 . NH2 . A ARG 46 NH2 +16 1 Y 1 A GLN 74 . OE1 . A GLN 74 OE1 +17 1 Y 1 A GLN 74 . NE2 . A GLN 74 NE2 +18 1 Y 1 A ARG 88 . NH1 . A ARG 88 NH1 +19 1 Y 1 A ARG 88 . NH2 . A ARG 88 NH2 +20 1 Y 1 A GLU 89 . CD . A GLU 89 CD +21 1 Y 1 A GLU 89 . OE1 . A GLU 89 OE1 +22 1 Y 1 A GLU 89 . OE2 . A GLU 89 OE2 +23 1 Y 1 A LYS 107 . CG . A LYS 107 CG +24 1 Y 1 A LYS 107 . CD . A LYS 107 CD +25 1 Y 1 A LYS 107 . CE . A LYS 107 CE +26 1 Y 1 A LYS 107 . NZ . A LYS 107 NZ +27 1 Y 1 A GLN 162 . CD . A GLN 162 CD +28 1 Y 1 A GLN 162 . OE1 . A GLN 162 OE1 +29 1 Y 1 A GLN 162 . NE2 . A GLN 162 NE2 +30 1 Y 1 A GLU 163 . OE1 . A GLU 163 OE1 +31 1 Y 1 A GLU 163 . OE2 . A GLU 163 OE2 +32 1 Y 1 A ASN 253 . OD1 . A ASN 253 OD1 +33 1 Y 1 A ASN 253 . ND2 . A ASN 253 ND2 +34 1 Y 1 A ASN 257 . CG . A ASN 257 CG +35 1 Y 1 A ASN 257 . OD1 . A ASN 257 OD1 +36 1 Y 1 A ASN 257 . ND2 . A ASN 257 ND2 +37 1 Y 1 A GLU 260 . CG . A GLU 260 CG +38 1 Y 1 A GLU 260 . CD . A GLU 260 CD +39 1 Y 1 A GLU 260 . OE1 . A GLU 260 OE1 +40 1 Y 1 A GLU 260 . OE2 . A GLU 260 OE2 +41 1 Y 1 A GLU 261 . CD . A GLU 261 CD +42 1 Y 1 A GLU 261 . OE1 . A GLU 261 OE1 +43 1 Y 1 A GLU 261 . OE2 . A GLU 261 OE2 +44 1 Y 1 A GLU 268 . CD . A GLU 268 CD +45 1 Y 1 A GLU 268 . OE1 . A GLU 268 OE1 +46 1 Y 1 A GLU 268 . OE2 . A GLU 268 OE2 +47 1 Y 1 A LYS 270 . CD . A LYS 270 CD +48 1 Y 1 A LYS 270 . CE . A LYS 270 CE +49 1 Y 1 A LYS 270 . NZ . A LYS 270 NZ +50 1 Y 1 A PHE 284 . CD1 . A PHE 284 CD1 +51 1 Y 1 A PHE 284 . CD2 . A PHE 284 CD2 +52 1 Y 1 A PHE 284 . CE1 . A PHE 284 CE1 +53 1 Y 1 A PHE 284 . CE2 . A PHE 284 CE2 +54 1 Y 1 A PHE 284 . CZ . A PHE 284 CZ +55 1 Y 1 A SER 286 . OG . A SER 286 OG +56 1 Y 1 A GLU 299 . CD . A GLU 299 CD +57 1 Y 1 A GLU 299 . OE1 . A GLU 299 OE1 +58 1 Y 1 A GLU 299 . OE2 . A GLU 299 OE2 +59 1 Y 1 A ASN 310 . CG . A ASN 310 CG +60 1 Y 1 A ASN 310 . OD1 . A ASN 310 OD1 +61 1 Y 1 A ASN 310 . ND2 . A ASN 310 ND2 +62 1 Y 1 A LYS 325 . NZ . A LYS 325 NZ +63 1 Y 1 A GLU 344 . CD . A GLU 344 CD +64 1 Y 1 A GLU 344 . OE1 . A GLU 344 OE1 +65 1 Y 1 A GLU 344 . OE2 . A GLU 344 OE2 +66 1 Y 1 A GLU 350 . CD . A GLU 350 CD +67 1 Y 1 A GLU 350 . OE1 . A GLU 350 OE1 +68 1 Y 1 A GLU 350 . OE2 . A GLU 350 OE2 +69 1 Y 1 A MET 353 . SD . A MET 353 SD +70 1 Y 1 A MET 353 . CE . A MET 353 CE +71 1 Y 1 A ASP 365 . CG . A ASP 365 CG +72 1 Y 1 A ASP 365 . OD1 . A ASP 365 OD1 +73 1 Y 1 A ASP 365 . OD2 . A ASP 365 OD2 +74 1 Y 1 A ASN 382 . CG . A ASN 382 CG +75 1 Y 1 A ASN 382 . OD1 . A ASN 382 OD1 +76 1 Y 1 A ASN 382 . ND2 . A ASN 382 ND2 +77 1 Y 1 A LYS 413 . CE . A LYS 413 CE +78 1 Y 1 A LYS 413 . NZ . A LYS 413 NZ +79 1 Y 1 A GLU 434 . CD . A GLU 434 CD +80 1 Y 1 A GLU 434 . OE1 . A GLU 434 OE1 +81 1 Y 1 A GLU 434 . OE2 . A GLU 434 OE2 +82 1 Y 1 A GLU 455 . CG . A GLU 455 CG +83 1 Y 1 A GLU 455 . CD . A GLU 455 CD +84 1 Y 1 A GLU 455 . OE1 . A GLU 455 OE1 +85 1 Y 1 A GLU 455 . OE2 . A GLU 455 OE2 +86 1 Y 1 A GLU 461 . CD . A GLU 461 CD +87 1 Y 1 A GLU 461 . OE1 . A GLU 461 OE1 +88 1 Y 1 A GLU 461 . OE2 . A GLU 461 OE2 +89 1 Y 1 A LYS 478 . CE . A LYS 478 CE +90 1 Y 1 A LYS 478 . NZ . A LYS 478 NZ +91 1 Y 1 A GLU 484 . CD . A GLU 484 CD +92 1 Y 1 A GLU 484 . OE1 . A GLU 484 OE1 +93 1 Y 1 A GLU 484 . OE2 . A GLU 484 OE2 +94 1 Y 1 A LYS 498 . CG . A LYS 498 CG +95 1 Y 1 A LYS 498 . CD . A LYS 498 CD +96 1 Y 1 A LYS 498 . CE . A LYS 498 CE +97 1 Y 1 A LYS 498 . NZ . A LYS 498 NZ +98 1 Y 1 A GLU 499 . CD . A GLU 499 CD +99 1 Y 1 A GLU 499 . OE1 . A GLU 499 OE1 +100 1 Y 1 A GLU 499 . OE2 . A GLU 499 OE2 +101 1 Y 1 A GLU 508 . CD . A GLU 508 CD +102 1 Y 1 A GLU 508 . OE1 . A GLU 508 OE1 +103 1 Y 1 A GLU 508 . OE2 . A GLU 508 OE2 +104 1 Y 1 A LYS 511 . CD . A LYS 511 CD +105 1 Y 1 A LYS 511 . CE . A LYS 511 CE +106 1 Y 1 A LYS 511 . NZ . A LYS 511 NZ +107 1 Y 1 A ARG 515 . CZ . A ARG 515 CZ +108 1 Y 1 A ARG 515 . NH1 . A ARG 515 NH1 +109 1 Y 1 A ARG 515 . NH2 . A ARG 515 NH2 +110 1 Y 1 A GLN 526 . CD . A GLN 526 CD +111 1 Y 1 A GLN 526 . OE1 . A GLN 526 OE1 +112 1 Y 1 A GLN 526 . NE2 . A GLN 526 NE2 +113 1 Y 1 A ASN 533 . CG . A ASN 533 CG +114 1 Y 1 A ASN 533 . OD1 . A ASN 533 OD1 +115 1 Y 1 A ASN 533 . ND2 . A ASN 533 ND2 +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 y 1 1 A ASP 1 ? A ASP 1 +2 y 1 1 A ASP 2 ? A ASP 2 +3 y 1 1 A HIS 3 ? A HIS 3 +4 y 1 1 A HIS 486 ? A HIS 486 +5 y 1 1 A SER 487 ? A SER 487 +6 y 1 1 A GLN 488 ? A GLN 488 +7 y 1 1 A GLU 489 ? A GLU 489 +8 y 1 1 A GLU 536 ? A GLU 536 +9 y 1 1 A THR 537 ? A THR 537 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.name +2 THA TACRINE +3 HOH water # -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 36 +_model_server_stats.io_time_ms 5 +_model_server_stats.parse_time_ms 54 +_model_server_stats.create_model_time_ms 37 +_model_server_stats.query_time_ms 234 +_model_server_stats.encode_time_ms 110 +_model_server_stats.element_count 4192 # diff --git a/src/test/resources/snapshot/1acj.cif.gz b/src/test/resources/snapshot/1acj.cif.gz index 11f3eccee..ce8783fdc 100644 Binary files a/src/test/resources/snapshot/1acj.cif.gz and b/src/test/resources/snapshot/1acj.cif.gz differ diff --git a/src/test/resources/snapshot/1j59.bcif b/src/test/resources/snapshot/1j59.bcif index 765146ec6..eb7616e71 100644 Binary files a/src/test/resources/snapshot/1j59.bcif and b/src/test/resources/snapshot/1j59.bcif differ diff --git a/src/test/resources/snapshot/1j59.bcif.gz b/src/test/resources/snapshot/1j59.bcif.gz index 1d2dcd100..68e2795a9 100644 Binary files a/src/test/resources/snapshot/1j59.bcif.gz and b/src/test/resources/snapshot/1j59.bcif.gz differ diff --git a/src/test/resources/snapshot/1j59.cif b/src/test/resources/snapshot/1j59.cif index cfdc6da5b..b22dc5f39 100644 --- a/src/test/resources/snapshot/1j59.cif +++ b/src/test/resources/snapshot/1j59.cif @@ -1,168 +1,126 @@ data_1J59 # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:40:47' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id dkWGW_i5doR8jGjpmdxTBw +_model_server_result.datetime_utc '2022-06-14 23:43:44' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 1j59 # _entry.id 1J59 # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.2860000000000005 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer syn "5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)-3'" ? ? . ? ? ? -2 polymer syn "5'-D(*AP*TP*AP*TP*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G )-3'" ? ? . ? ? ? -3 polymer man 'CATABOLITE GENE ACTIVATOR PROTEIN (CAP)' ? ? . ? ? ? -4 non-polymer syn "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" ? ? . ? ? ? -5 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 1J59 +ndb PD0299 +rcsb RCSB001694 +wwpdb D_1000001694 # -_exptl.entry_id 1J59 -_exptl.method 'X-ray diffraction' +_pdbx_database_PDB_obs_spr.id SPRSDE +_pdbx_database_PDB_obs_spr.pdb_id 1J59 +_pdbx_database_PDB_obs_spr.replace_pdb_id 1BER +_pdbx_database_PDB_obs_spr.date 2002-03-01 +_pdbx_database_PDB_obs_spr.details . # -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 THR E 10 . HIS E 17 . THR A 10 HIS A 17 1 ? 8 -HELX_P HELX_P2 2 TYR E 99 . ILE E 106 . TYR A 99 ILE A 106 1 ? 8 -HELX_P HELX_P3 3 PRO E 110 . PHE E 136 . PRO A 110 PHE A 136 5 ? 27 -HELX_P HELX_P4 4 VAL E 139 . LYS E 152 . VAL A 139 LYS A 152 1 ? 14 -HELX_P HELX_P5 5 ARG E 169 . VAL E 176 . ARG A 169 VAL A 176 1 ? 8 -HELX_P HELX_P6 6 ARG E 180 . ASP E 192 . ARG A 180 ASP A 192 1 ? 13 -HELX_P HELX_P7 7 THR F 10 . SER F 16 . THR B 10 SER B 16 1 ? 7 -HELX_P HELX_P8 8 GLY F 74 . PHE F 76 . GLY B 74 PHE B 76 5 ? 3 -HELX_P HELX_P9 9 TYR F 99 . VAL F 108 . TYR B 99 VAL B 108 1 ? 10 -HELX_P HELX_P10 10 PRO F 110 . PHE F 136 . PRO B 110 PHE B 136 1 ? 27 -HELX_P HELX_P11 11 VAL F 139 . LEU F 150 . VAL B 139 LEU B 150 1 ? 12 -HELX_P HELX_P12 12 ARG F 169 . VAL F 176 . ARG B 169 VAL B 176 1 ? 8 -HELX_P HELX_P13 13 ARG F 180 . GLU F 191 . ARG B 180 GLU B 191 1 ? 12 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 1J59 +_pdbx_database_status.recvd_initial_deposition_date 2002-03-01 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # loop_ -_struct_sheet_range.sheet_id -_struct_sheet_range.id -_struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id -_struct_sheet_range.beg_label_seq_id -_struct_sheet_range.pdbx_beg_PDB_ins_code -_struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id -_struct_sheet_range.end_label_seq_id -_struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id -_struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id -_struct_sheet_range.end_auth_seq_id -F 1 THR E 38 . LYS E 44 . ? THR A 38 LYS A 44 -A 2 VAL E 47 . LYS E 52 . ? VAL A 47 LYS A 52 -A 3 GLU E 58 . LEU E 64 . ? GLU A 58 LEU A 64 -A 1 TRP E 85 . ALA E 88 . ? TRP A 85 ALA A 88 -F 2 GLU E 93 . SER E 98 . ? GLU A 93 SER A 98 -B 1 MET E 163 . LYS E 166 . ? MET A 163 LYS A 166 -B 3 ILE E 196 . ALA E 198 . ? ILE A 196 ALA A 198 -B 2 LYS E 201 . VAL E 204 . ? LYS A 201 VAL A 204 -C 1 HIS F 19 . TYR F 23 . ? HIS B 19 TYR B 23 -C 3 THR F 38 . LYS F 44 . ? THR B 38 LYS B 44 -D 2 SER F 46 . LYS F 52 . ? SER B 46 LYS B 52 -D 3 GLU F 58 . ASN F 65 . ? GLU B 58 ASN B 65 -D 1 TRP F 85 . ALA F 88 . ? TRP B 85 ALA B 88 -C 2 CYS F 92 . SER F 98 . ? CYS B 92 SER B 98 -E 1 ILE F 196 . HIS F 199 . ? ILE B 196 HIS B 199 -E 2 LYS F 201 . VAL F 204 . ? LYS B 201 VAL B 204 +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Parkinson, G.' 1 . +'Wilson, C.' 2 . +'Gunasekera, A.' 3 . +'Ebright, Y.W.' 4 . +'Ebright, R.H.' 5 . +'Berman, H.M.' 6 . # -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details hexameric -_pdbx_struct_assembly.oligomeric_count 6 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N +_citation.book_publisher ? +_citation.country UK +_citation.id primary +_citation.journal_abbrev J.Mol.Biol. +_citation.journal_id_ASTM JMOBAK +_citation.journal_id_CSD 70 +_citation.journal_id_ISSN 0022-2836 +_citation.journal_volume 260 +_citation.page_first 395 +_citation.page_last 408 +_citation.title 'Structure of the CAP-DNA complex at 2.5 angstroms resolution: a complete picture of the protein-DNA interface.' +_citation.year 1996 +_citation.pdbx_database_id_DOI 10.1006/jmbi.1996.0409 +_citation.pdbx_database_id_PubMed 8757802 # -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1 -_pdbx_struct_oper_list.matrix[1][2] 0 -_pdbx_struct_oper_list.matrix[1][3] 0 -_pdbx_struct_oper_list.vector[1] 0 -_pdbx_struct_oper_list.matrix[2][1] 0 -_pdbx_struct_oper_list.matrix[2][2] 1 -_pdbx_struct_oper_list.matrix[2][3] 0 -_pdbx_struct_oper_list.vector[2] 0 -_pdbx_struct_oper_list.matrix[3][1] 0 -_pdbx_struct_oper_list.matrix[3][2] 0 -_pdbx_struct_oper_list.matrix[3][3] 1 -_pdbx_struct_oper_list.vector[3] 0 +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Parkinson, G.' 1 +primary 'Wilson, C.' 2 +primary 'Gunasekera, A.' 3 +primary 'Ebright, Y.W.' 4 +primary 'Ebright, R.E.' 5 +primary 'Berman, H.M.' 6 # +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 90 _cell.entry_id 1J59 _cell.length_a 136.99 _cell.length_b 152.8 _cell.length_c 76.06 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 90 _cell.Z_PDB 16 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 1J59 -_symmetry.space_group_name_H-M 'C 2 2 21' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 20 -_symmetry.space_group_name_Hall . +_symmetry.entry_id 1J59 +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 20 +_symmetry.space_group_name_Hall . +_symmetry.space_group_name_H-M 'C 2 2 21' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 4353.854 1 syn polymer "5'-D(*GP*CP*GP*AP*AP*AP*AP*GP*TP*GP*TP*GP*AP*C)-3'" 2 ? ? ? +? 5152.358 2 syn polymer "5'-D(*AP*TP*AP*TP*GP*TP*CP*AP*CP*AP*CP*TP*TP*TP*TP*CP*G )-3'" 2 ? ? ? +? 23541.242 3 man polymer 'CATABOLITE GENE ACTIVATOR PROTEIN (CAP)' 2 ? ? ? +? 329.206 4 syn non-polymer "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" 2 ? ? ? +? 18.015 5 nat water water 286 ? ? ? # loop_ _entity_poly.entity_id -_entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer +_entity_poly.type +_entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -1 polydeoxyribonucleotide no no (DG)(DC)(DG)(DA)(DA)(DA)(DA)(DG)(DT)(DG)(DT)(DG)(DA)(DC) GCGAAAAGTGTGAC C,E -2 polydeoxyribonucleotide no no (DA)(DT)(DA)(DT)(DG)(DT)(DC)(DA)(DC)(DA)(DC)(DT)(DT)(DT)(DT)(DC)(DG) ATATGTCACACTTTTCG D,F -3 polypeptide(L) no no +_entity_poly.pdbx_target_identifier +1 no no polydeoxyribonucleotide C,E (DG)(DC)(DG)(DA)(DA)(DA)(DA)(DG)(DT)(DG)(DT)(DG)(DA)(DC) GCGAAAAGTGTGAC ? +2 no no polydeoxyribonucleotide D,F (DA)(DT)(DA)(DT)(DG)(DT)(DC)(DA)(DC)(DA)(DC)(DT)(DT)(DT)(DT)(DC)(DG) ATATGTCACACTTTTCG ? +3 no no polypeptide(L) A,B ;VLGKPQTDPTLEWFLSHCHIHKYPSKSTLIHQGEKAETLYYIVKGSVAVLIKDEEGKEMILSYLNQGDFIGELGLFEEGQ ERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHP DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYGTR @@ -172,1286 +130,890 @@ DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYGTR ERSAWVRAKTACEVAEISYKKFRQLIQVNPDILMRLSAQMARRLQVTSEKVGNLAFLDVTGRIAQTLLNLAKQPDAMTHP DGMQIKITRQEIGQIVGCSRETVGRILKMLEDQNLISAHGKTIVVYGTR ; -A,B +? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 DG n -1 2 DC n -1 3 DG n -1 4 DA n -1 5 DA n -1 6 DA n -1 7 DA n -1 8 DG n -1 9 DT n -1 10 DG n -1 11 DT n -1 12 DG n -1 13 DA n -1 14 DC n -2 1 DA n -2 2 DT n -2 3 DA n -2 4 DT n -2 5 DG n -2 6 DT n -2 7 DC n -2 8 DA n -2 9 DC n -2 10 DA n -2 11 DC n -2 12 DT n -2 13 DT n -2 14 DT n -2 15 DT n -2 16 DC n -2 17 DG n -3 1 VAL n -3 2 LEU n -3 3 GLY n -3 4 LYS n -3 5 PRO n -3 6 GLN n -3 7 THR n -3 8 ASP n -3 9 PRO n -3 10 THR n -3 11 LEU n -3 12 GLU n -3 13 TRP n -3 14 PHE n -3 15 LEU n -3 16 SER n -3 17 HIS n -3 18 CYS n -3 19 HIS n -3 20 ILE n -3 21 HIS n -3 22 LYS n -3 23 TYR n -3 24 PRO n -3 25 SER n -3 26 LYS n -3 27 SER n -3 28 THR n -3 29 LEU n -3 30 ILE n -3 31 HIS n -3 32 GLN n -3 33 GLY n -3 34 GLU n -3 35 LYS n -3 36 ALA n -3 37 GLU n -3 38 THR n -3 39 LEU n -3 40 TYR n -3 41 TYR n -3 42 ILE n -3 43 VAL n -3 44 LYS n -3 45 GLY n -3 46 SER n -3 47 VAL n -3 48 ALA n -3 49 VAL n -3 50 LEU n -3 51 ILE n -3 52 LYS n -3 53 ASP n -3 54 GLU n -3 55 GLU n -3 56 GLY n -3 57 LYS n -3 58 GLU n -3 59 MET n -3 60 ILE n -3 61 LEU n -3 62 SER n -3 63 TYR n -3 64 LEU n -3 65 ASN n -3 66 GLN n -3 67 GLY n -3 68 ASP n -3 69 PHE n -3 70 ILE n -3 71 GLY n -3 72 GLU n -3 73 LEU n -3 74 GLY n -3 75 LEU n -3 76 PHE n -3 77 GLU n -3 78 GLU n -3 79 GLY n -3 80 GLN n -3 81 GLU n -3 82 ARG n -3 83 SER n -3 84 ALA n -3 85 TRP n -3 86 VAL n -3 87 ARG n -3 88 ALA n -3 89 LYS n -3 90 THR n -3 91 ALA n -3 92 CYS n -3 93 GLU n -3 94 VAL n -3 95 ALA n -3 96 GLU n -3 97 ILE n -3 98 SER n -3 99 TYR n -3 100 LYS n -3 101 LYS n -3 102 PHE n -3 103 ARG n -3 104 GLN n -3 105 LEU n -3 106 ILE n -3 107 GLN n -3 108 VAL n -3 109 ASN n -3 110 PRO n -3 111 ASP n -3 112 ILE n -3 113 LEU n -3 114 MET n -3 115 ARG n -3 116 LEU n -3 117 SER n -3 118 ALA n -3 119 GLN n -3 120 MET n -3 121 ALA n -3 122 ARG n -3 123 ARG n -3 124 LEU n -3 125 GLN n -3 126 VAL n -3 127 THR n -3 128 SER n -3 129 GLU n -3 130 LYS n -3 131 VAL n -3 132 GLY n -3 133 ASN n -3 134 LEU n -3 135 ALA n -3 136 PHE n -3 137 LEU n -3 138 ASP n -3 139 VAL n -3 140 THR n -3 141 GLY n -3 142 ARG n -3 143 ILE n -3 144 ALA n -3 145 GLN n -3 146 THR n -3 147 LEU n -3 148 LEU n -3 149 ASN n -3 150 LEU n -3 151 ALA n -3 152 LYS n -3 153 GLN n -3 154 PRO n -3 155 ASP n -3 156 ALA n -3 157 MET n -3 158 THR n -3 159 HIS n -3 160 PRO n -3 161 ASP n -3 162 GLY n -3 163 MET n -3 164 GLN n -3 165 ILE n -3 166 LYS n -3 167 ILE n -3 168 THR n -3 169 ARG n -3 170 GLN n -3 171 GLU n -3 172 ILE n -3 173 GLY n -3 174 GLN n -3 175 ILE n -3 176 VAL n -3 177 GLY n -3 178 CYS n -3 179 SER n -3 180 ARG n -3 181 GLU n -3 182 THR n -3 183 VAL n -3 184 GLY n -3 185 ARG n -3 186 ILE n -3 187 LEU n -3 188 LYS n -3 189 MET n -3 190 LEU n -3 191 GLU n -3 192 ASP n -3 193 GLN n -3 194 ASN n -3 195 LEU n -3 196 ILE n -3 197 SER n -3 198 ALA n -3 199 HIS n -3 200 GLY n -3 201 LYS n -3 202 THR n -3 203 ILE n -3 204 VAL n -3 205 VAL n -3 206 TYR n -3 207 GLY n -3 208 THR n -3 209 ARG n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n DG 1 +1 n DC 2 +1 n DG 3 +1 n DA 4 +1 n DA 5 +1 n DA 6 +1 n DA 7 +1 n DG 8 +1 n DT 9 +1 n DG 10 +1 n DT 11 +1 n DG 12 +1 n DA 13 +1 n DC 14 +2 n DA 1 +2 n DT 2 +2 n DA 3 +2 n DT 4 +2 n DG 5 +2 n DT 6 +2 n DC 7 +2 n DA 8 +2 n DC 9 +2 n DA 10 +2 n DC 11 +2 n DT 12 +2 n DT 13 +2 n DT 14 +2 n DT 15 +2 n DC 16 +2 n DG 17 +3 n VAL 1 +3 n LEU 2 +3 n GLY 3 +3 n LYS 4 +3 n PRO 5 +3 n GLN 6 +3 n THR 7 +3 n ASP 8 +3 n PRO 9 +3 n THR 10 +3 n LEU 11 +3 n GLU 12 +3 n TRP 13 +3 n PHE 14 +3 n LEU 15 +3 n SER 16 +3 n HIS 17 +3 n CYS 18 +3 n HIS 19 +3 n ILE 20 +3 n HIS 21 +3 n LYS 22 +3 n TYR 23 +3 n PRO 24 +3 n SER 25 +3 n LYS 26 +3 n SER 27 +3 n THR 28 +3 n LEU 29 +3 n ILE 30 +3 n HIS 31 +3 n GLN 32 +3 n GLY 33 +3 n GLU 34 +3 n LYS 35 +3 n ALA 36 +3 n GLU 37 +3 n THR 38 +3 n LEU 39 +3 n TYR 40 +3 n TYR 41 +3 n ILE 42 +3 n VAL 43 +3 n LYS 44 +3 n GLY 45 +3 n SER 46 +3 n VAL 47 +3 n ALA 48 +3 n VAL 49 +3 n LEU 50 +3 n ILE 51 +3 n LYS 52 +3 n ASP 53 +3 n GLU 54 +3 n GLU 55 +3 n GLY 56 +3 n LYS 57 +3 n GLU 58 +3 n MET 59 +3 n ILE 60 +3 n LEU 61 +3 n SER 62 +3 n TYR 63 +3 n LEU 64 +3 n ASN 65 +3 n GLN 66 +3 n GLY 67 +3 n ASP 68 +3 n PHE 69 +3 n ILE 70 +3 n GLY 71 +3 n GLU 72 +3 n LEU 73 +3 n GLY 74 +3 n LEU 75 +3 n PHE 76 +3 n GLU 77 +3 n GLU 78 +3 n GLY 79 +3 n GLN 80 +3 n GLU 81 +3 n ARG 82 +3 n SER 83 +3 n ALA 84 +3 n TRP 85 +3 n VAL 86 +3 n ARG 87 +3 n ALA 88 +3 n LYS 89 +3 n THR 90 +3 n ALA 91 +3 n CYS 92 +3 n GLU 93 +3 n VAL 94 +3 n ALA 95 +3 n GLU 96 +3 n ILE 97 +3 n SER 98 +3 n TYR 99 +3 n LYS 100 +3 n LYS 101 +3 n PHE 102 +3 n ARG 103 +3 n GLN 104 +3 n LEU 105 +3 n ILE 106 +3 n GLN 107 +3 n VAL 108 +3 n ASN 109 +3 n PRO 110 +3 n ASP 111 +3 n ILE 112 +3 n LEU 113 +3 n MET 114 +3 n ARG 115 +3 n LEU 116 +3 n SER 117 +3 n ALA 118 +3 n GLN 119 +3 n MET 120 +3 n ALA 121 +3 n ARG 122 +3 n ARG 123 +3 n LEU 124 +3 n GLN 125 +3 n VAL 126 +3 n THR 127 +3 n SER 128 +3 n GLU 129 +3 n LYS 130 +3 n VAL 131 +3 n GLY 132 +3 n ASN 133 +3 n LEU 134 +3 n ALA 135 +3 n PHE 136 +3 n LEU 137 +3 n ASP 138 +3 n VAL 139 +3 n THR 140 +3 n GLY 141 +3 n ARG 142 +3 n ILE 143 +3 n ALA 144 +3 n GLN 145 +3 n THR 146 +3 n LEU 147 +3 n LEU 148 +3 n ASN 149 +3 n LEU 150 +3 n ALA 151 +3 n LYS 152 +3 n GLN 153 +3 n PRO 154 +3 n ASP 155 +3 n ALA 156 +3 n MET 157 +3 n THR 158 +3 n HIS 159 +3 n PRO 160 +3 n ASP 161 +3 n GLY 162 +3 n MET 163 +3 n GLN 164 +3 n ILE 165 +3 n LYS 166 +3 n ILE 167 +3 n THR 168 +3 n ARG 169 +3 n GLN 170 +3 n GLU 171 +3 n ILE 172 +3 n GLY 173 +3 n GLN 174 +3 n ILE 175 +3 n VAL 176 +3 n GLY 177 +3 n CYS 178 +3 n SER 179 +3 n ARG 180 +3 n GLU 181 +3 n THR 182 +3 n VAL 183 +3 n GLY 184 +3 n ARG 185 +3 n ILE 186 +3 n LEU 187 +3 n LYS 188 +3 n MET 189 +3 n LEU 190 +3 n GLU 191 +3 n ASP 192 +3 n GLN 193 +3 n ASN 194 +3 n LEU 195 +3 n ILE 196 +3 n SER 197 +3 n ALA 198 +3 n HIS 199 +3 n GLY 200 +3 n LYS 201 +3 n THR 202 +3 n ILE 203 +3 n VAL 204 +3 n VAL 205 +3 n TYR 206 +3 n GLY 207 +3 n THR 208 +3 n ARG 209 +# +_entity_src_gen.entity_id 3 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Escherichia coli' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? # loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +1 UNP CRP_ECOLI 3 . . P0ACJ8 . +2 PDB 1J59 1 . . 1J59 . +3 PDB 1J59 2 . . 1J59 . +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 1J59 A 1 . 209 . P0ACJ8 2 . 210 . 1 209 +2 1 1J59 B 1 . 209 . P0ACJ8 2 . 210 . 1 209 +3 2 1J59 C 1 . 14 . 1J59 -5 . 9 . -5 9 +4 3 1J59 D 1 . 17 . 1J59 10 . 26 . 10 26 +5 2 1J59 E 1 . 14 . 1J59 27 . 14 . 27 14 +6 3 1J59 F 1 . 17 . 1J59 13 . -4 . 13 -4 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? +'C10 H12 N5 O6 P' 329.206 CMP . "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" non-polymer 'CYCLIC AMP;CAMP' +'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? +'C10 H14 N5 O6 P' 331.222 DA y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" 'dna linking' ? +'C9 H14 N3 O7 P' 307.197 DC y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" 'dna linking' ? +'C10 H14 N5 O7 P' 347.221 DG y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" 'dna linking' ? +'C10 H15 N2 O8 P' 322.208 DT y "THYMIDINE-5'-MONOPHOSPHATE" 'dna linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? +'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? +# +_exptl.entry_id 1J59 +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 3.5 +_exptl_crystal.density_percent_sol 58.71 +_exptl_crystal.description . +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method . +_exptl_crystal_grow.temp . +_exptl_crystal_grow.temp_details . +_exptl_crystal_grow.pH 6.5 +_exptl_crystal_grow.pdbx_details 'pH 6.50' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.id 1 +_diffrn.ambient_temp . +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector 'IMAGE PLATE' +_diffrn_detector.type FUJI +_diffrn_detector.pdbx_collection_date 1992-11-01 +_diffrn_detector.details . +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.91 +_diffrn_radiation_wavelength.wt 1 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'CHESS BEAMLINE F1' +_diffrn_source.pdbx_synchrotron_site CHESS +_diffrn_source.pdbx_synchrotron_beamline F1 +_diffrn_source.pdbx_wavelength 0.91 +_diffrn_source.pdbx_wavelength_list . +# +_reflns.entry_id 1J59 +_reflns.observed_criterion_sigma_I . +_reflns.observed_criterion_sigma_F . +_reflns.d_resolution_low 30 +_reflns.d_resolution_high 2.5 +_reflns.number_obs 23876 +_reflns.number_all . +_reflns.percent_possible_obs 85.4 +_reflns.pdbx_Rmerge_I_obs 0.1147 +_reflns.pdbx_Rsym_value . +_reflns.pdbx_netI_over_sigmaI 2 +_reflns.B_iso_Wilson_estimate . +_reflns.pdbx_redundancy . +_reflns.R_free_details . +_reflns.limit_h_max . +_reflns.limit_h_min . +_reflns.limit_k_max . +_reflns.limit_k_min . +_reflns.limit_l_max . +_reflns.limit_l_min . +_reflns.observed_criterion_F_max . +_reflns.observed_criterion_F_min . +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +# +_refine.entry_id 1J59 +_refine.ls_number_reflns_obs 23644 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F 2 +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 10 +_refine.ls_d_res_high 2.5 +_refine.ls_percent_reflns_obs 86 +_refine.ls_R_factor_obs 0.199 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work 0.199 +_refine.ls_R_factor_R_free 0.279 +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free . +_refine.ls_number_reflns_R_free . +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.B_iso_mean 30.9 +_refine.aniso_B[1][1] . +_refine.aniso_B[2][2] . +_refine.aniso_B[3][3] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][3] . +_refine.solvent_model_details . +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_solvent_vdw_probe_radii . +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii . +_refine.pdbx_ls_cross_valid_method . +_refine.details . +_refine.pdbx_starting_model . +_refine.pdbx_method_to_determine_struct . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.overall_SU_ML . +_refine.overall_SU_B . +_refine.ls_redundancy_reflns_obs . +_refine.overall_SU_R_Cruickshank_DPI . +_refine.overall_SU_R_free . +_refine.B_iso_min . +_refine.B_iso_max . +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag . +_refine.pdbx_overall_phase_error . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 3128 +_refine_hist.pdbx_number_atoms_nucleic_acid 1262 +_refine_hist.pdbx_number_atoms_ligand 42 +_refine_hist.number_atoms_solvent 286 +_refine_hist.number_atoms_total 4718 +_refine_hist.d_res_high 2.5 +_refine_hist.d_res_low 10 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +x_bond_d 0.017 . . . 'X-RAY DIFFRACTION' . +x_bond_d_na . . . . 'X-RAY DIFFRACTION' . +x_bond_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_d . . . . 'X-RAY DIFFRACTION' . +x_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_angle_deg 2.27 . . . 'X-RAY DIFFRACTION' . +x_angle_deg_na . . . . 'X-RAY DIFFRACTION' . +x_angle_deg_prot . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d 22.9 . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_dihedral_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d 1.4 . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_na . . . . 'X-RAY DIFFRACTION' . +x_improper_angle_d_prot . . . . 'X-RAY DIFFRACTION' . +x_mcbond_it . . . . 'X-RAY DIFFRACTION' . +x_mcangle_it . . . . 'X-RAY DIFFRACTION' . +x_scbond_it . . . . 'X-RAY DIFFRACTION' . +x_scangle_it . . . . 'X-RAY DIFFRACTION' . +# +_struct.entry_id 1J59 +_struct.title "CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA COMPLEX + ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" +_struct.pdbx_descriptor "CATABOLITE GENE ACTIVATOR PROTEIN (CAP)/DNA Complex, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" +# +_struct_keywords.entry_id 1J59 +_struct_keywords.text 'PROTEIN-DNA COMPLEX,GENE-REGULATORY,GENE REGULATION-DNA COMPLEX' +_struct_keywords.pdbx_keywords 'GENE REGULATION/DNA' +# +loop_ +_struct_asym.details +_struct_asym.entity_id _struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' -C N Y 1 'Might not contain all original atoms depending on the query used' -D N Y 2 'Might not contain all original atoms depending on the query used' -E N Y 3 'Might not contain all original atoms depending on the query used' -F N Y 3 'Might not contain all original atoms depending on the query used' -G N Y 4 'Might not contain all original atoms depending on the query used' -H N Y 4 'Might not contain all original atoms depending on the query used' -I N Y 5 'Might not contain all original atoms depending on the query used' -J N Y 5 'Might not contain all original atoms depending on the query used' -K N Y 5 'Might not contain all original atoms depending on the query used' -L N Y 5 'Might not contain all original atoms depending on the query used' -M N Y 5 'Might not contain all original atoms depending on the query used' -N N Y 5 'Might not contain all original atoms depending on the query used' +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +? 1 C N N +? 2 D N N +? 3 E N N +? 3 F N N +? 4 G N N +? 4 H N N +? 5 I N N +? 5 J N N +? 5 K N N +? 5 L N N +? 5 M N N +? 5 N N N +# +_struct_biol.id 1 +_struct_biol.pdbx_parent_biol_id . +_struct_biol.details . +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_entity_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_auth_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.end_label_asym_id +_struct_conf.end_label_entity_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_auth_asym_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +helx_p helx_p1 THR 10 . E 3 THR 10 A HIS 17 . E 3 HIS 17 A 1 ? 8 +helx_p helx_p2 TYR 99 . E 3 TYR 99 A ILE 106 . E 3 ILE 106 A 1 ? 8 +helx_p helx_p3 PRO 110 . E 3 PRO 110 A PHE 136 . E 3 PHE 136 A 5 ? 27 +helx_p helx_p4 VAL 139 . E 3 VAL 139 A LYS 152 . E 3 LYS 152 A 1 ? 14 +helx_p helx_p5 ARG 169 . E 3 ARG 169 A VAL 176 . E 3 VAL 176 A 1 ? 8 +helx_p helx_p6 ARG 180 . E 3 ARG 180 A ASP 192 . E 3 ASP 192 A 1 ? 13 +helx_p helx_p7 THR 10 . F 3 THR 10 B SER 16 . F 3 SER 16 B 1 ? 7 +helx_p helx_p8 GLY 74 . F 3 GLY 74 B PHE 76 . F 3 PHE 76 B 5 ? 3 +helx_p helx_p9 TYR 99 . F 3 TYR 99 B VAL 108 . F 3 VAL 108 B 1 ? 10 +helx_p helx_p10 PRO 110 . F 3 PRO 110 B PHE 136 . F 3 PHE 136 B 1 ? 27 +helx_p helx_p11 VAL 139 . F 3 VAL 139 B LEU 150 . F 3 LEU 150 B 1 ? 12 +helx_p helx_p12 ARG 169 . F 3 ARG 169 B VAL 176 . F 3 VAL 176 B 1 ? 8 +helx_p helx_p13 ARG 180 . F 3 ARG 180 B GLU 191 . F 3 GLU 191 B 1 ? 12 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . # loop_ -_struct_conn.id _struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id +_struct_conn.details +_struct_conn.id _struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details +_struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order -hydrog1 hydrog ? A DC 2 N3 ? ? ? 1_555 D DG 17 N1 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog2 hydrog ? A DC 2 N4 ? ? ? 1_555 D DG 17 O6 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog3 hydrog ? A DC 2 O2 ? ? ? 1_555 D DG 17 N2 ? ? C DC -4 F DG -4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog4 hydrog ? A DG 3 N1 ? ? ? 1_555 D DC 16 N3 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog5 hydrog ? A DG 3 N2 ? ? ? 1_555 D DC 16 O2 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog6 hydrog ? A DG 3 O6 ? ? ? 1_555 D DC 16 N4 ? ? C DG -3 F DC -3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog7 hydrog ? A DA 4 N1 ? ? ? 1_555 D DT 15 N3 ? ? C DA -2 F DT -2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog8 hydrog ? A DA 4 N6 ? ? ? 1_555 D DT 15 O4 ? ? C DA -2 F DT -2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog9 hydrog ? A DA 5 N1 ? ? ? 1_555 D DT 14 N3 ? ? C DA -1 F DT -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog10 hydrog ? A DA 5 N6 ? ? ? 1_555 D DT 14 O4 ? ? C DA -1 F DT -1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog11 hydrog ? A DA 6 N1 ? ? ? 1_555 D DT 13 N3 ? ? C DA 1 F DT 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog12 hydrog ? A DA 6 N6 ? ? ? 1_555 D DT 13 O4 ? ? C DA 1 F DT 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog13 hydrog ? A DA 7 N1 ? ? ? 1_555 D DT 12 N3 ? ? C DA 2 F DT 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog14 hydrog ? A DA 7 N6 ? ? ? 1_555 D DT 12 O4 ? ? C DA 2 F DT 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog15 hydrog ? A DG 8 N1 ? ? ? 1_555 D DC 11 N3 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog16 hydrog ? A DG 8 N2 ? ? ? 1_555 D DC 11 O2 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog17 hydrog ? A DG 8 O6 ? ? ? 1_555 D DC 11 N4 ? ? C DG 3 F DC 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog18 hydrog ? A DT 9 N3 ? ? ? 1_555 D DA 10 N1 ? ? C DT 4 F DA 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog19 hydrog ? A DT 9 O4 ? ? ? 1_555 D DA 10 N6 ? ? C DT 4 F DA 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog20 hydrog ? A DG 10 N1 ? ? ? 1_555 D DC 9 N3 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog21 hydrog ? A DG 10 N2 ? ? ? 1_555 D DC 9 O2 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog22 hydrog ? A DG 10 O6 ? ? ? 1_555 D DC 9 N4 ? ? C DG 5 F DC 5 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog23 hydrog ? A DT 11 N3 ? ? ? 1_555 D DA 8 N1 ? ? C DT 6 F DA 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog24 hydrog ? A DT 11 O4 ? ? ? 1_555 D DA 8 N6 ? ? C DT 6 F DA 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog25 hydrog ? A DG 12 N1 ? ? ? 1_555 D DC 7 N3 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog26 hydrog ? A DG 12 N2 ? ? ? 1_555 D DC 7 O2 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog27 hydrog ? A DG 12 O6 ? ? ? 1_555 D DC 7 N4 ? ? C DG 7 F DC 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog28 hydrog ? A DA 13 N1 ? ? ? 1_555 D DT 6 N3 ? ? C DA 8 F DT 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog29 hydrog ? A DA 13 N6 ? ? ? 1_555 D DT 6 O4 ? ? C DA 8 F DT 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog30 hydrog ? A DC 14 N3 ? ? ? 1_555 D DG 5 N1 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog31 hydrog ? A DC 14 N4 ? ? ? 1_555 D DG 5 O6 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog32 hydrog ? A DC 14 O2 ? ? ? 1_555 D DG 5 N2 ? ? C DC 9 F DG 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog33 hydrog ? B DA 1 N1 ? ? ? 1_555 D DT 4 N3 ? ? D DA 10 F DT 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog34 hydrog ? B DA 1 N6 ? ? ? 1_555 D DT 4 O4 ? ? D DA 10 F DT 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog35 hydrog ? B DT 2 N3 ? ? ? 1_555 D DA 3 N1 ? ? D DT 11 F DA 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog36 hydrog ? B DT 2 O4 ? ? ? 1_555 D DA 3 N6 ? ? D DT 11 F DA 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog37 hydrog ? B DA 3 N6 ? ? ? 1_555 D DA 1 N1 ? ? D DA 12 F DA 13 1_555 ? ? ? ? ? ? 'DA-DA MISPAIR' ? ? -hydrog38 hydrog ? B DA 3 N1 ? ? ? 1_555 D DT 2 N3 ? ? D DA 12 F DT 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog39 hydrog ? B DA 3 N6 ? ? ? 1_555 D DT 2 O4 ? ? D DA 12 F DT 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog40 hydrog ? B DT 4 N3 ? ? ? 1_555 D DA 1 N1 ? ? D DT 13 F DA 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog41 hydrog ? B DT 4 O4 ? ? ? 1_555 D DA 1 N6 ? ? D DT 13 F DA 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog42 hydrog ? B DG 5 N1 ? ? ? 1_555 C DC 14 N3 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog43 hydrog ? B DG 5 N2 ? ? ? 1_555 C DC 14 O2 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog44 hydrog ? B DG 5 O6 ? ? ? 1_555 C DC 14 N4 ? ? D DG 14 E DC 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog45 hydrog ? B DT 6 N3 ? ? ? 1_555 C DA 13 N1 ? ? D DT 15 E DA 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog46 hydrog ? B DT 6 O4 ? ? ? 1_555 C DA 13 N6 ? ? D DT 15 E DA 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog47 hydrog ? B DC 7 N3 ? ? ? 1_555 C DG 12 N1 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog48 hydrog ? B DC 7 N4 ? ? ? 1_555 C DG 12 O6 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog49 hydrog ? B DC 7 O2 ? ? ? 1_555 C DG 12 N2 ? ? D DC 16 E DG 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog50 hydrog ? B DA 8 N1 ? ? ? 1_555 C DT 11 N3 ? ? D DA 17 E DT 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog51 hydrog ? B DA 8 N6 ? ? ? 1_555 C DT 11 O4 ? ? D DA 17 E DT 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog52 hydrog ? B DC 9 N4 ? ? ? 1_555 C DT 9 O4 ? ? D DC 18 E DT 19 1_555 ? ? ? ? ? ? 'DC-DT MISPAIR' ? ? -hydrog53 hydrog ? B DC 9 N3 ? ? ? 1_555 C DG 10 N1 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog54 hydrog ? B DC 9 N4 ? ? ? 1_555 C DG 10 O6 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog55 hydrog ? B DC 9 O2 ? ? ? 1_555 C DG 10 N2 ? ? D DC 18 E DG 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog56 hydrog ? B DA 10 N1 ? ? ? 1_555 C DT 9 N3 ? ? D DA 19 E DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog57 hydrog ? B DA 10 N6 ? ? ? 1_555 C DT 9 O4 ? ? D DA 19 E DT 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog58 hydrog ? B DC 11 N3 ? ? ? 1_555 C DA 7 N6 ? ? D DC 20 E DA 21 1_555 ? ? ? ? ? ? 'DC-DA MISPAIR' ? ? -hydrog59 hydrog ? B DC 11 N3 ? ? ? 1_555 C DG 8 N1 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog60 hydrog ? B DC 11 N4 ? ? ? 1_555 C DG 8 O6 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog61 hydrog ? B DC 11 O2 ? ? ? 1_555 C DG 8 N2 ? ? D DC 20 E DG 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog62 hydrog ? B DT 12 O4 ? ? ? 1_555 C DA 6 N6 ? ? D DT 21 E DA 22 1_555 ? ? ? ? ? ? 'DT-DA PAIR' ? ? -hydrog63 hydrog ? B DT 12 N3 ? ? ? 1_555 C DA 7 N1 ? ? D DT 21 E DA 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog64 hydrog ? B DT 12 O4 ? ? ? 1_555 C DA 7 N6 ? ? D DT 21 E DA 21 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog65 hydrog ? B DT 13 O4 ? ? ? 1_555 C DA 5 N6 ? ? D DT 22 E DA 23 1_555 ? ? ? ? ? ? 'DT-DA PAIR' ? ? -hydrog66 hydrog ? B DT 13 N3 ? ? ? 1_555 C DA 6 N1 ? ? D DT 22 E DA 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog67 hydrog ? B DT 13 O4 ? ? ? 1_555 C DA 6 N6 ? ? D DT 22 E DA 22 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog68 hydrog ? B DT 14 N3 ? ? ? 1_555 C DA 5 N1 ? ? D DT 23 E DA 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog69 hydrog ? B DT 14 O4 ? ? ? 1_555 C DA 5 N6 ? ? D DT 23 E DA 23 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog70 hydrog ? B DT 15 N3 ? ? ? 1_555 C DA 4 N1 ? ? D DT 24 E DA 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog71 hydrog ? B DT 15 O4 ? ? ? 1_555 C DA 4 N6 ? ? D DT 24 E DA 24 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog72 hydrog ? B DC 16 N3 ? ? ? 1_555 C DG 3 N1 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog73 hydrog ? B DC 16 N4 ? ? ? 1_555 C DG 3 O6 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog74 hydrog ? B DC 16 O2 ? ? ? 1_555 C DG 3 N2 ? ? D DC 25 E DG 25 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog75 hydrog ? B DG 17 N1 ? ? ? 1_555 C DC 2 N3 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog76 hydrog ? B DG 17 N2 ? ? ? 1_555 C DC 2 O2 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? -hydrog77 hydrog ? B DG 17 O6 ? ? ? 1_555 C DC 2 N4 ? ? D DG 26 E DC 26 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? +hydrog WATSON-CRICK hydrog1 A N3 DC 2 C DC -4 1_555 D N1 DG 17 F DG -4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog2 A N4 DC 2 C DC -4 1_555 D O6 DG 17 F DG -4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog3 A O2 DC 2 C DC -4 1_555 D N2 DG 17 F DG -4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog4 A N1 DG 3 C DG -3 1_555 D N3 DC 16 F DC -3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog5 A N2 DG 3 C DG -3 1_555 D O2 DC 16 F DC -3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog6 A O6 DG 3 C DG -3 1_555 D N4 DC 16 F DC -3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog7 A N1 DA 4 C DA -2 1_555 D N3 DT 15 F DT -2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog8 A N6 DA 4 C DA -2 1_555 D O4 DT 15 F DT -2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog9 A N1 DA 5 C DA -1 1_555 D N3 DT 14 F DT -1 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog10 A N6 DA 5 C DA -1 1_555 D O4 DT 14 F DT -1 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog11 A N1 DA 6 C DA 1 1_555 D N3 DT 13 F DT 1 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog12 A N6 DA 6 C DA 1 1_555 D O4 DT 13 F DT 1 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog13 A N1 DA 7 C DA 2 1_555 D N3 DT 12 F DT 2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog14 A N6 DA 7 C DA 2 1_555 D O4 DT 12 F DT 2 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog15 A N1 DG 8 C DG 3 1_555 D N3 DC 11 F DC 3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog16 A N2 DG 8 C DG 3 1_555 D O2 DC 11 F DC 3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog17 A O6 DG 8 C DG 3 1_555 D N4 DC 11 F DC 3 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog18 A N3 DT 9 C DT 4 1_555 D N1 DA 10 F DA 4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog19 A O4 DT 9 C DT 4 1_555 D N6 DA 10 F DA 4 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog20 A N1 DG 10 C DG 5 1_555 D N3 DC 9 F DC 5 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog21 A N2 DG 10 C DG 5 1_555 D O2 DC 9 F DC 5 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog22 A O6 DG 10 C DG 5 1_555 D N4 DC 9 F DC 5 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog23 A N3 DT 11 C DT 6 1_555 D N1 DA 8 F DA 6 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog24 A O4 DT 11 C DT 6 1_555 D N6 DA 8 F DA 6 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog25 A N1 DG 12 C DG 7 1_555 D N3 DC 7 F DC 7 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog26 A N2 DG 12 C DG 7 1_555 D O2 DC 7 F DC 7 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog27 A O6 DG 12 C DG 7 1_555 D N4 DC 7 F DC 7 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog28 A N1 DA 13 C DA 8 1_555 D N3 DT 6 F DT 8 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog29 A N6 DA 13 C DA 8 1_555 D O4 DT 6 F DT 8 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog30 A N3 DC 14 C DC 9 1_555 D N1 DG 5 F DG 9 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog31 A N4 DC 14 C DC 9 1_555 D O6 DG 5 F DG 9 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog32 A O2 DC 14 C DC 9 1_555 D N2 DG 5 F DG 9 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog33 B N1 DA 1 D DA 10 1_555 D N3 DT 4 F DT 10 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog34 B N6 DA 1 D DA 10 1_555 D O4 DT 4 F DT 10 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog35 B N3 DT 2 D DT 11 1_555 D N1 DA 3 F DA 11 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog36 B O4 DT 2 D DT 11 1_555 D N6 DA 3 F DA 11 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DA-DA MISPAIR' hydrog37 B N6 DA 3 D DA 12 1_555 D N1 DA 1 F DA 13 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog38 B N1 DA 3 D DA 12 1_555 D N3 DT 2 F DT 12 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog39 B N6 DA 3 D DA 12 1_555 D O4 DT 2 F DT 12 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog40 B N3 DT 4 D DT 13 1_555 D N1 DA 1 F DA 13 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog41 B O4 DT 4 D DT 13 1_555 D N6 DA 1 F DA 13 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog42 B N1 DG 5 D DG 14 1_555 C N3 DC 14 E DC 14 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog43 B N2 DG 5 D DG 14 1_555 C O2 DC 14 E DC 14 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog44 B O6 DG 5 D DG 14 1_555 C N4 DC 14 E DC 14 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog45 B N3 DT 6 D DT 15 1_555 C N1 DA 13 E DA 15 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog46 B O4 DT 6 D DT 15 1_555 C N6 DA 13 E DA 15 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog47 B N3 DC 7 D DC 16 1_555 C N1 DG 12 E DG 16 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog48 B N4 DC 7 D DC 16 1_555 C O6 DG 12 E DG 16 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog49 B O2 DC 7 D DC 16 1_555 C N2 DG 12 E DG 16 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog50 B N1 DA 8 D DA 17 1_555 C N3 DT 11 E DT 17 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog51 B N6 DA 8 D DA 17 1_555 C O4 DT 11 E DT 17 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DC-DT MISPAIR' hydrog52 B N4 DC 9 D DC 18 1_555 C O4 DT 9 E DT 19 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog53 B N3 DC 9 D DC 18 1_555 C N1 DG 10 E DG 18 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog54 B N4 DC 9 D DC 18 1_555 C O6 DG 10 E DG 18 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog55 B O2 DC 9 D DC 18 1_555 C N2 DG 10 E DG 18 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog56 B N1 DA 10 D DA 19 1_555 C N3 DT 9 E DT 19 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog57 B N6 DA 10 D DA 19 1_555 C O4 DT 9 E DT 19 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DC-DA MISPAIR' hydrog58 B N3 DC 11 D DC 20 1_555 C N6 DA 7 E DA 21 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog59 B N3 DC 11 D DC 20 1_555 C N1 DG 8 E DG 20 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog60 B N4 DC 11 D DC 20 1_555 C O6 DG 8 E DG 20 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog61 B O2 DC 11 D DC 20 1_555 C N2 DG 8 E DG 20 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DT-DA PAIR' hydrog62 B O4 DT 12 D DT 21 1_555 C N6 DA 6 E DA 22 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog63 B N3 DT 12 D DT 21 1_555 C N1 DA 7 E DA 21 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog64 B O4 DT 12 D DT 21 1_555 C N6 DA 7 E DA 21 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog 'DT-DA PAIR' hydrog65 B O4 DT 13 D DT 22 1_555 C N6 DA 5 E DA 23 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog66 B N3 DT 13 D DT 22 1_555 C N1 DA 6 E DA 22 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog67 B O4 DT 13 D DT 22 1_555 C N6 DA 6 E DA 22 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog68 B N3 DT 14 D DT 23 1_555 C N1 DA 5 E DA 23 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog69 B O4 DT 14 D DT 23 1_555 C N6 DA 5 E DA 23 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog70 B N3 DT 15 D DT 24 1_555 C N1 DA 4 E DA 24 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog71 B O4 DT 15 D DT 24 1_555 C N6 DA 4 E DA 24 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog72 B N3 DC 16 D DC 25 1_555 C N1 DG 3 E DG 25 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog73 B N4 DC 16 D DC 25 1_555 C O6 DG 3 E DG 25 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog74 B O2 DC 16 D DC 25 1_555 C N2 DG 3 E DG 25 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog75 B N1 DG 17 D DG 26 1_555 C N3 DC 2 E DC 26 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog76 B N2 DG 17 D DG 26 1_555 C O2 DC 2 E DC 26 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? +hydrog WATSON-CRICK hydrog77 B O6 DG 17 D DG 26 1_555 C N4 DC 2 E DC 26 1_555 ? ? ? ? ? ? ? ? ? ? ? ? ? ? # -_struct_conn_type.id hydrog _struct_conn_type.criteria ? +_struct_conn_type.id hydrog _struct_conn_type.reference ? # loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ARG N 1 N N CA SING -ARG N 2 N N H SING -ARG N 3 N N H2 SING -ARG N 4 N CA C SING -ARG N 5 N CA CB SING -ARG N 6 N CA HA SING -ARG N 7 N C O DOUB -ARG N 8 N C OXT SING -ARG N 9 N CB CG SING -ARG N 10 N CB HB2 SING -ARG N 11 N CB HB3 SING -ARG N 12 N CG CD SING -ARG N 13 N CG HG2 SING -ARG N 14 N CG HG3 SING -ARG N 15 N CD NE SING -ARG N 16 N CD HD2 SING -ARG N 17 N CD HD3 SING -ARG N 18 N NE CZ SING -ARG N 19 N NE HE SING -ARG N 20 N CZ NH1 SING -ARG N 21 N CZ NH2 DOUB -ARG N 22 N NH1 HH11 SING -ARG N 23 N NH1 HH12 SING -ARG N 24 N NH2 HH21 SING -ARG N 25 N NH2 HH22 SING -ARG N 26 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -ASP N 1 N N CA SING -ASP N 2 N N H SING -ASP N 3 N N H2 SING -ASP N 4 N CA C SING -ASP N 5 N CA CB SING -ASP N 6 N CA HA SING -ASP N 7 N C O DOUB -ASP N 8 N C OXT SING -ASP N 9 N CB CG SING -ASP N 10 N CB HB2 SING -ASP N 11 N CB HB3 SING -ASP N 12 N CG OD1 DOUB -ASP N 13 N CG OD2 SING -ASP N 14 N OD2 HD2 SING -ASP N 15 N OXT HXT SING -CMP N 1 N P O1P DOUB -CMP N 2 N P O2P SING -CMP N 3 N P "O5'" SING -CMP N 4 N P "O3'" SING -CMP N 5 N O2P HOP2 SING -CMP N 6 N "O5'" "C5'" SING -CMP N 7 N "C5'" "C4'" SING -CMP N 8 N "C5'" "H5'1" SING -CMP N 9 N "C5'" "H5'2" SING -CMP N 10 N "C4'" "O4'" SING -CMP N 11 N "C4'" "C3'" SING -CMP N 12 N "C4'" "H4'" SING -CMP N 13 N "O4'" "C1'" SING -CMP N 14 N "C3'" "O3'" SING -CMP N 15 N "C3'" "C2'" SING -CMP N 16 N "C3'" "H3'" SING -CMP N 17 N "C2'" "O2'" SING -CMP N 18 N "C2'" "C1'" SING -CMP N 19 N "C2'" "H2'" SING -CMP N 20 N "O2'" "HO2'" SING -CMP N 21 N "C1'" N9 SING -CMP N 22 N "C1'" "H1'" SING -CMP N 23 Y N9 C8 SING -CMP N 24 Y N9 C4 SING -CMP N 25 Y C8 N7 DOUB -CMP N 26 N C8 H8 SING -CMP N 27 Y N7 C5 SING -CMP N 28 Y C5 C6 SING -CMP N 29 Y C5 C4 DOUB -CMP N 30 N C6 N6 SING -CMP N 31 Y C6 N1 DOUB -CMP N 32 N N6 HN61 SING -CMP N 33 N N6 HN62 SING -CMP N 34 Y N1 C2 SING -CMP N 35 Y C2 N3 DOUB -CMP N 36 N C2 H2 SING -CMP N 37 Y N3 C4 SING -CYS N 1 N N CA SING -CYS N 2 N N H SING -CYS N 3 N N H2 SING -CYS N 4 N CA C SING -CYS N 5 N CA CB SING -CYS N 6 N CA HA SING -CYS N 7 N C O DOUB -CYS N 8 N C OXT SING -CYS N 9 N CB SG SING -CYS N 10 N CB HB2 SING -CYS N 11 N CB HB3 SING -CYS N 12 N SG HG SING -CYS N 13 N OXT HXT SING -DA N 1 N OP3 P SING -DA N 2 N OP3 HOP3 SING -DA N 3 N P OP1 DOUB -DA N 4 N P OP2 SING -DA N 5 N P "O5'" SING -DA N 6 N OP2 HOP2 SING -DA N 7 N "O5'" "C5'" SING -DA N 8 N "C5'" "C4'" SING -DA N 9 N "C5'" "H5'" SING -DA N 10 N "C5'" "H5''" SING -DA N 11 N "C4'" "O4'" SING -DA N 12 N "C4'" "C3'" SING -DA N 13 N "C4'" "H4'" SING -DA N 14 N "O4'" "C1'" SING -DA N 15 N "C3'" "O3'" SING -DA N 16 N "C3'" "C2'" SING -DA N 17 N "C3'" "H3'" SING -DA N 18 N "O3'" "HO3'" SING -DA N 19 N "C2'" "C1'" SING -DA N 20 N "C2'" "H2'" SING -DA N 21 N "C2'" "H2''" SING -DA N 22 N "C1'" N9 SING -DA N 23 N "C1'" "H1'" SING -DA N 24 Y N9 C8 SING -DA N 25 Y N9 C4 SING -DA N 26 Y C8 N7 DOUB -DA N 27 N C8 H8 SING -DA N 28 Y N7 C5 SING -DA N 29 Y C5 C6 SING -DA N 30 Y C5 C4 DOUB -DA N 31 N C6 N6 SING -DA N 32 Y C6 N1 DOUB -DA N 33 N N6 H61 SING -DA N 34 N N6 H62 SING -DA N 35 Y N1 C2 SING -DA N 36 Y C2 N3 DOUB -DA N 37 N C2 H2 SING -DA N 38 Y N3 C4 SING -DC N 1 N OP3 P SING -DC N 2 N OP3 HOP3 SING -DC N 3 N P OP1 DOUB -DC N 4 N P OP2 SING -DC N 5 N P "O5'" SING -DC N 6 N OP2 HOP2 SING -DC N 7 N "O5'" "C5'" SING -DC N 8 N "C5'" "C4'" SING -DC N 9 N "C5'" "H5'" SING -DC N 10 N "C5'" "H5''" SING -DC N 11 N "C4'" "O4'" SING -DC N 12 N "C4'" "C3'" SING -DC N 13 N "C4'" "H4'" SING -DC N 14 N "O4'" "C1'" SING -DC N 15 N "C3'" "O3'" SING -DC N 16 N "C3'" "C2'" SING -DC N 17 N "C3'" "H3'" SING -DC N 18 N "O3'" "HO3'" SING -DC N 19 N "C2'" "C1'" SING -DC N 20 N "C2'" "H2'" SING -DC N 21 N "C2'" "H2''" SING -DC N 22 N "C1'" N1 SING -DC N 23 N "C1'" "H1'" SING -DC N 24 N N1 C2 SING -DC N 25 N N1 C6 SING -DC N 26 N C2 O2 DOUB -DC N 27 N C2 N3 SING -DC N 28 N N3 C4 DOUB -DC N 29 N C4 N4 SING -DC N 30 N C4 C5 SING -DC N 31 N N4 H41 SING -DC N 32 N N4 H42 SING -DC N 33 N C5 C6 DOUB -DC N 34 N C5 H5 SING -DC N 35 N C6 H6 SING -DG N 1 N OP3 P SING -DG N 2 N OP3 HOP3 SING -DG N 3 N P OP1 DOUB -DG N 4 N P OP2 SING -DG N 5 N P "O5'" SING -DG N 6 N OP2 HOP2 SING -DG N 7 N "O5'" "C5'" SING -DG N 8 N "C5'" "C4'" SING -DG N 9 N "C5'" "H5'" SING -DG N 10 N "C5'" "H5''" SING -DG N 11 N "C4'" "O4'" SING -DG N 12 N "C4'" "C3'" SING -DG N 13 N "C4'" "H4'" SING -DG N 14 N "O4'" "C1'" SING -DG N 15 N "C3'" "O3'" SING -DG N 16 N "C3'" "C2'" SING -DG N 17 N "C3'" "H3'" SING -DG N 18 N "O3'" "HO3'" SING -DG N 19 N "C2'" "C1'" SING -DG N 20 N "C2'" "H2'" SING -DG N 21 N "C2'" "H2''" SING -DG N 22 N "C1'" N9 SING -DG N 23 N "C1'" "H1'" SING -DG N 24 Y N9 C8 SING -DG N 25 Y N9 C4 SING -DG N 26 Y C8 N7 DOUB -DG N 27 N C8 H8 SING -DG N 28 Y N7 C5 SING -DG N 29 N C5 C6 SING -DG N 30 Y C5 C4 DOUB -DG N 31 N C6 O6 DOUB -DG N 32 N C6 N1 SING -DG N 33 N N1 C2 SING -DG N 34 N N1 H1 SING -DG N 35 N C2 N2 SING -DG N 36 N C2 N3 DOUB -DG N 37 N N2 H21 SING -DG N 38 N N2 H22 SING -DG N 39 N N3 C4 SING -DT N 1 N OP3 P SING -DT N 2 N OP3 HOP3 SING -DT N 3 N P OP1 DOUB -DT N 4 N P OP2 SING -DT N 5 N P "O5'" SING -DT N 6 N OP2 HOP2 SING -DT N 7 N "O5'" "C5'" SING -DT N 8 N "C5'" "C4'" SING -DT N 9 N "C5'" "H5'" SING -DT N 10 N "C5'" "H5''" SING -DT N 11 N "C4'" "O4'" SING -DT N 12 N "C4'" "C3'" SING -DT N 13 N "C4'" "H4'" SING -DT N 14 N "O4'" "C1'" SING -DT N 15 N "C3'" "O3'" SING -DT N 16 N "C3'" "C2'" SING -DT N 17 N "C3'" "H3'" SING -DT N 18 N "O3'" "HO3'" SING -DT N 19 N "C2'" "C1'" SING -DT N 20 N "C2'" "H2'" SING -DT N 21 N "C2'" "H2''" SING -DT N 22 N "C1'" N1 SING -DT N 23 N "C1'" "H1'" SING -DT N 24 N N1 C2 SING -DT N 25 N N1 C6 SING -DT N 26 N C2 O2 DOUB -DT N 27 N C2 N3 SING -DT N 28 N N3 C4 SING -DT N 29 N N3 H3 SING -DT N 30 N C4 O4 DOUB -DT N 31 N C4 C5 SING -DT N 32 N C5 C7 SING -DT N 33 N C5 C6 DOUB -DT N 34 N C7 H71 SING -DT N 35 N C7 H72 SING -DT N 36 N C7 H73 SING -DT N 37 N C6 H6 SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HIS N 1 N N CA SING -HIS N 2 N N H SING -HIS N 3 N N H2 SING -HIS N 4 N CA C SING -HIS N 5 N CA CB SING -HIS N 6 N CA HA SING -HIS N 7 N C O DOUB -HIS N 8 N C OXT SING -HIS N 9 N CB CG SING -HIS N 10 N CB HB2 SING -HIS N 11 N CB HB3 SING -HIS N 12 Y CG ND1 SING -HIS N 13 Y CG CD2 DOUB -HIS N 14 Y ND1 CE1 DOUB -HIS N 15 N ND1 HD1 SING -HIS N 16 Y CD2 NE2 SING -HIS N 17 N CD2 HD2 SING -HIS N 18 Y CE1 NE2 SING -HIS N 19 N CE1 HE1 SING -HIS N 20 N NE2 HE2 SING -HIS N 21 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -MET N 1 N N CA SING -MET N 2 N N H SING -MET N 3 N N H2 SING -MET N 4 N CA C SING -MET N 5 N CA CB SING -MET N 6 N CA HA SING -MET N 7 N C O DOUB -MET N 8 N C OXT SING -MET N 9 N CB CG SING -MET N 10 N CB HB2 SING -MET N 11 N CB HB3 SING -MET N 12 N CG SD SING -MET N 13 N CG HG2 SING -MET N 14 N CG HG3 SING -MET N 15 N SD CE SING -MET N 16 N CE HE1 SING -MET N 17 N CE HE2 SING -MET N 18 N CE HE3 SING -MET N 19 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -PRO N 1 N N CA SING -PRO N 2 N N CD SING -PRO N 3 N N H SING -PRO N 4 N CA C SING -PRO N 5 N CA CB SING -PRO N 6 N CA HA SING -PRO N 7 N C O DOUB -PRO N 8 N C OXT SING -PRO N 9 N CB CG SING -PRO N 10 N CB HB2 SING -PRO N 11 N CB HB3 SING -PRO N 12 N CG CD SING -PRO N 13 N CG HG2 SING -PRO N 14 N CG HG3 SING -PRO N 15 N CD HD2 SING -PRO N 16 N CD HD3 SING -PRO N 17 N OXT HXT SING -SER N 1 N N CA SING -SER N 2 N N H SING -SER N 3 N N H2 SING -SER N 4 N CA C SING -SER N 5 N CA CB SING -SER N 6 N CA HA SING -SER N 7 N C O DOUB -SER N 8 N C OXT SING -SER N 9 N CB OG SING -SER N 10 N CB HB2 SING -SER N 11 N CB HB3 SING -SER N 12 N OG HG SING -SER N 13 N OXT HXT SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TRP N 1 N N CA SING -TRP N 2 N N H SING -TRP N 3 N N H2 SING -TRP N 4 N CA C SING -TRP N 5 N CA CB SING -TRP N 6 N CA HA SING -TRP N 7 N C O DOUB -TRP N 8 N C OXT SING -TRP N 9 N CB CG SING -TRP N 10 N CB HB2 SING -TRP N 11 N CB HB3 SING -TRP N 12 Y CG CD1 DOUB -TRP N 13 Y CG CD2 SING -TRP N 14 Y CD1 NE1 SING -TRP N 15 N CD1 HD1 SING -TRP N 16 Y CD2 CE2 DOUB -TRP N 17 Y CD2 CE3 SING -TRP N 18 Y NE1 CE2 SING -TRP N 19 N NE1 HE1 SING -TRP N 20 Y CE2 CZ2 SING -TRP N 21 Y CE3 CZ3 DOUB -TRP N 22 N CE3 HE3 SING -TRP N 23 Y CZ2 CH2 DOUB -TRP N 24 N CZ2 HZ2 SING -TRP N 25 Y CZ3 CH2 SING -TRP N 26 N CZ3 HZ3 SING -TRP N 27 N CH2 HH2 SING -TRP N 28 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_struct_sheet.id +_struct_sheet.type +_struct_sheet.number_strands +_struct_sheet.details +A . 3 . +B . 3 . +C . 3 . +D . 3 . +E . 2 . +F . 2 . +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +A 1 2 . anti-parallel +A 2 3 . anti-parallel +B 1 2 . anti-parallel +B 2 3 . anti-parallel +C 1 2 . anti-parallel +C 2 3 . anti-parallel +D 1 2 . anti-parallel +D 2 3 . anti-parallel +E 1 2 . anti-parallel +F 1 2 . anti-parallel +# +loop_ +_struct_sheet_range.sheet_id +_struct_sheet_range.id +_struct_sheet_range.beg_label_comp_id +_struct_sheet_range.beg_label_seq_id +_struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_entity_id +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.beg_auth_asym_id +_struct_sheet_range.end_label_comp_id +_struct_sheet_range.end_label_seq_id +_struct_sheet_range.pdbx_end_PDB_ins_code +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_entity_id +_struct_sheet_range.end_auth_comp_id +_struct_sheet_range.end_auth_seq_id +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.symmetry +A 1 VAL 47 . E 3 VAL 47 A LYS 52 . E 3 LYS 52 A ? +A 2 GLU 58 . E 3 GLU 58 A LEU 64 . E 3 LEU 64 A ? +A 3 TRP 85 . E 3 TRP 85 A ALA 88 . E 3 ALA 88 A ? +B 4 MET 163 . E 3 MET 163 A LYS 166 . E 3 LYS 166 A ? +B 5 ILE 196 . E 3 ILE 196 A ALA 198 . E 3 ALA 198 A ? +B 6 LYS 201 . E 3 LYS 201 A VAL 204 . E 3 VAL 204 A ? +C 7 HIS 19 . F 3 HIS 19 B TYR 23 . F 3 TYR 23 B ? +C 8 THR 38 . F 3 THR 38 B LYS 44 . F 3 LYS 44 B ? +C 9 CYS 92 . F 3 CYS 92 B SER 98 . F 3 SER 98 B ? +D 10 SER 46 . F 3 SER 46 B LYS 52 . F 3 LYS 52 B ? +D 11 GLU 58 . F 3 GLU 58 B ASN 65 . F 3 ASN 65 B ? +D 12 TRP 85 . F 3 TRP 85 B ALA 88 . F 3 ALA 88 B ? +E 13 ILE 196 . F 3 ILE 196 B HIS 199 . F 3 HIS 199 B ? +E 14 LYS 201 . F 3 LYS 201 B VAL 204 . F 3 VAL 204 B ? +F 15 THR 38 . E 3 THR 38 A LYS 44 . E 3 LYS 44 A ? +F 16 GLU 93 . E 3 GLU 93 A SER 98 . E 3 SER 98 A ? +# +loop_ +_pdbx_struct_sheet_hbond.sheet_id +_pdbx_struct_sheet_hbond.range_id_1 +_pdbx_struct_sheet_hbond.range_id_2 +_pdbx_struct_sheet_hbond.range_1_label_atom_id +_pdbx_struct_sheet_hbond.range_1_label_comp_id +_pdbx_struct_sheet_hbond.range_1_label_asym_id +_pdbx_struct_sheet_hbond.range_1_label_seq_id +_pdbx_struct_sheet_hbond.range_1_PDB_ins_code +_pdbx_struct_sheet_hbond.range_1_auth_atom_id +_pdbx_struct_sheet_hbond.range_1_auth_comp_id +_pdbx_struct_sheet_hbond.range_1_auth_asym_id +_pdbx_struct_sheet_hbond.range_1_auth_seq_id +_pdbx_struct_sheet_hbond.range_2_label_atom_id +_pdbx_struct_sheet_hbond.range_2_label_comp_id +_pdbx_struct_sheet_hbond.range_2_label_asym_id +_pdbx_struct_sheet_hbond.range_2_label_seq_id +_pdbx_struct_sheet_hbond.range_2_PDB_ins_code +_pdbx_struct_sheet_hbond.range_2_auth_atom_id +_pdbx_struct_sheet_hbond.range_2_auth_comp_id +_pdbx_struct_sheet_hbond.range_2_auth_asym_id +_pdbx_struct_sheet_hbond.range_2_auth_seq_id +A 1 2 O TRP E 85 . O TRP A 85 N LEU E 50 . N LEU A 50 +A 2 3 O VAL E 47 . O VAL A 47 N LEU E 64 . N LEU A 64 +B 1 2 O MET E 163 . O MET A 163 N VAL E 204 . N VAL A 204 +B 2 3 O ILE E 203 . O ILE A 203 N SER E 197 . N SER A 197 +C 1 2 O HIS F 19 . O HIS B 19 N GLU F 96 . N GLU B 96 +C 2 3 O GLU F 93 . O GLU B 93 N LYS F 44 . N LYS B 44 +D 1 2 O TRP F 85 . O TRP B 85 N LEU F 50 . N LEU B 50 +D 2 3 O VAL F 47 . O VAL B 47 N LEU F 64 . N LEU B 64 +E 1 2 O SER F 197 . O SER B 197 N ILE F 203 . N ILE B 203 +F 1 2 O LEU E 39 . O LEU A 39 N ILE E 97 . N ILE A 97 +# +loop_ +_struct_site.details +_struct_site.id +_struct_site.pdbx_num_residues +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +'BINDING SITE FOR RESIDUE CMP B 761' AC1 10 Software ? ? ? ? +'BINDING SITE FOR RESIDUE CMP A 762' AC2 11 Software ? ? ? ? +# +loop_ +_struct_site_gen.details +_struct_site_gen.id +_struct_site_gen.label_alt_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_comp_id +_struct_site_gen.label_seq_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_seq_id +_struct_site_gen.site_id +_struct_site_gen.symmetry +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.pdbx_num_res +? 1 ? E . LEU 124 A LEU 124 AC1 1_555 ? 10 +? 2 ? E . SER 128 A SER 128 AC1 1_555 ? 10 +? 3 ? F . VAL 49 B VAL 49 AC1 1_555 ? 10 +? 4 ? F . GLY 71 B GLY 71 AC1 1_555 ? 10 +? 5 ? F . GLU 72 B GLU 72 AC1 1_555 ? 10 +? 6 ? F . LEU 73 B LEU 73 AC1 1_555 ? 10 +? 7 ? F . ARG 82 B ARG 82 AC1 1_555 ? 10 +? 8 ? F . SER 83 B SER 83 AC1 1_555 ? 10 +? 9 ? F . ALA 84 B ALA 84 AC1 1_555 ? 10 +? 10 ? F . THR 127 B THR 127 AC1 1_555 ? 10 +? 11 ? E . ILE 30 A ILE 30 AC2 1_555 ? 11 +? 12 ? E . VAL 49 A VAL 49 AC2 1_555 ? 11 +? 13 ? E . LEU 61 A LEU 61 AC2 1_555 ? 11 +? 14 ? E . GLY 71 A GLY 71 AC2 1_555 ? 11 +? 15 ? E . GLU 72 A GLU 72 AC2 1_555 ? 11 +? 16 ? E . LEU 73 A LEU 73 AC2 1_555 ? 11 +? 17 ? E . ARG 82 A ARG 82 AC2 1_555 ? 11 +? 18 ? E . SER 83 A SER 83 AC2 1_555 ? 11 +? 19 ? E . THR 127 A THR 127 AC2 1_555 ? 11 +? 20 ? F . LEU 124 B LEU 124 AC2 1_555 ? 11 +? 21 ? F . SER 128 B SER 128 AC2 1_555 ? 11 +# +_database_PDB_matrix.entry_id 1J59 +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 1J59 _atom_sites.fract_transf_matrix[1][1] 0.007299 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.006544 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.013147 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -G 4 CMP 1 762 762 CMP CMP A . -H 4 CMP 1 761 761 CMP CMP B . -I 5 HOH 1 497 497 HOH HOH C . -I 5 HOH 2 498 498 HOH HOH C . -I 5 HOH 3 499 499 HOH HOH C . -I 5 HOH 4 500 500 HOH HOH C . -I 5 HOH 5 502 502 HOH HOH C . -I 5 HOH 6 505 505 HOH HOH C . -I 5 HOH 7 506 506 HOH HOH C . -I 5 HOH 8 511 511 HOH HOH C . -I 5 HOH 9 545 545 HOH HOH C . -I 5 HOH 10 546 546 HOH HOH C . -I 5 HOH 11 561 561 HOH HOH C . -I 5 HOH 12 562 562 HOH HOH C . -I 5 HOH 13 565 565 HOH HOH C . -I 5 HOH 14 568 568 HOH HOH C . -I 5 HOH 15 569 569 HOH HOH C . -I 5 HOH 16 572 572 HOH HOH C . -I 5 HOH 17 573 573 HOH HOH C . -I 5 HOH 18 574 574 HOH HOH C . -I 5 HOH 19 576 576 HOH HOH C . -I 5 HOH 20 593 593 HOH HOH C . -I 5 HOH 21 594 594 HOH HOH C . -I 5 HOH 22 595 595 HOH HOH C . -I 5 HOH 23 597 597 HOH HOH C . -I 5 HOH 24 598 598 HOH HOH C . -I 5 HOH 25 600 600 HOH HOH C . -I 5 HOH 26 609 609 HOH HOH C . -I 5 HOH 27 612 612 HOH HOH C . -I 5 HOH 28 631 631 HOH HOH C . -I 5 HOH 29 635 635 HOH HOH C . -I 5 HOH 30 636 636 HOH HOH C . -I 5 HOH 31 645 645 HOH HOH C . -I 5 HOH 32 652 652 HOH HOH C . -I 5 HOH 33 655 655 HOH HOH C . -I 5 HOH 34 656 656 HOH HOH C . -I 5 HOH 35 659 659 HOH HOH C . -I 5 HOH 36 660 660 HOH HOH C . -I 5 HOH 37 672 672 HOH HOH C . -I 5 HOH 38 677 677 HOH HOH C . -I 5 HOH 39 692 692 HOH HOH C . -I 5 HOH 40 699 699 HOH HOH C . -I 5 HOH 41 700 700 HOH HOH C . -I 5 HOH 42 701 701 HOH HOH C . -I 5 HOH 43 702 702 HOH HOH C . -I 5 HOH 44 706 706 HOH HOH C . -I 5 HOH 45 707 707 HOH HOH C . -I 5 HOH 46 708 708 HOH HOH C . -I 5 HOH 47 709 709 HOH HOH C . -I 5 HOH 48 710 710 HOH HOH C . -I 5 HOH 49 715 715 HOH HOH C . -I 5 HOH 50 724 724 HOH HOH C . -J 5 HOH 1 475 475 HOH HOH D . -J 5 HOH 2 476 476 HOH HOH D . -J 5 HOH 3 477 477 HOH HOH D . -J 5 HOH 4 478 478 HOH HOH D . -J 5 HOH 5 479 479 HOH HOH D . -J 5 HOH 6 480 480 HOH HOH D . -J 5 HOH 7 481 481 HOH HOH D . -J 5 HOH 8 482 482 HOH HOH D . -J 5 HOH 9 485 485 HOH HOH D . -J 5 HOH 10 486 486 HOH HOH D . -J 5 HOH 11 489 489 HOH HOH D . -J 5 HOH 12 490 490 HOH HOH D . -J 5 HOH 13 493 493 HOH HOH D . -J 5 HOH 14 512 512 HOH HOH D . -J 5 HOH 15 517 517 HOH HOH D . -J 5 HOH 16 518 518 HOH HOH D . -J 5 HOH 17 524 524 HOH HOH D . -J 5 HOH 18 525 525 HOH HOH D . -J 5 HOH 19 529 529 HOH HOH D . -J 5 HOH 20 530 530 HOH HOH D . -J 5 HOH 21 533 533 HOH HOH D . -J 5 HOH 22 534 534 HOH HOH D . -J 5 HOH 23 535 535 HOH HOH D . -J 5 HOH 24 538 538 HOH HOH D . -J 5 HOH 25 539 539 HOH HOH D . -J 5 HOH 26 540 540 HOH HOH D . -J 5 HOH 27 547 547 HOH HOH D . -J 5 HOH 28 548 548 HOH HOH D . -J 5 HOH 29 549 549 HOH HOH D . -J 5 HOH 30 550 550 HOH HOH D . -J 5 HOH 31 551 551 HOH HOH D . -J 5 HOH 32 552 552 HOH HOH D . -J 5 HOH 33 553 553 HOH HOH D . -J 5 HOH 34 554 554 HOH HOH D . -J 5 HOH 35 556 556 HOH HOH D . -J 5 HOH 36 557 557 HOH HOH D . -J 5 HOH 37 558 558 HOH HOH D . -J 5 HOH 38 567 567 HOH HOH D . -J 5 HOH 39 582 582 HOH HOH D . -J 5 HOH 40 584 584 HOH HOH D . -J 5 HOH 41 585 585 HOH HOH D . -J 5 HOH 42 586 586 HOH HOH D . -J 5 HOH 43 587 587 HOH HOH D . -J 5 HOH 44 588 588 HOH HOH D . -J 5 HOH 45 591 591 HOH HOH D . -J 5 HOH 46 601 601 HOH HOH D . -J 5 HOH 47 607 607 HOH HOH D . -J 5 HOH 48 617 617 HOH HOH D . -J 5 HOH 49 621 621 HOH HOH D . -J 5 HOH 50 622 622 HOH HOH D . -J 5 HOH 51 624 624 HOH HOH D . -J 5 HOH 52 626 626 HOH HOH D . -J 5 HOH 53 633 633 HOH HOH D . -J 5 HOH 54 642 642 HOH HOH D . -J 5 HOH 55 643 643 HOH HOH D . -J 5 HOH 56 644 644 HOH HOH D . -J 5 HOH 57 666 666 HOH HOH D . -J 5 HOH 58 667 667 HOH HOH D . -J 5 HOH 59 668 668 HOH HOH D . -J 5 HOH 60 669 669 HOH HOH D . -J 5 HOH 61 683 683 HOH HOH D . -J 5 HOH 62 695 695 HOH HOH D . -J 5 HOH 63 696 696 HOH HOH D . -J 5 HOH 64 697 697 HOH HOH D . -J 5 HOH 65 713 713 HOH HOH D . -J 5 HOH 66 714 714 HOH HOH D . -J 5 HOH 67 742 742 HOH HOH D . -J 5 HOH 68 749 749 HOH HOH D . -J 5 HOH 69 752 752 HOH HOH D . -J 5 HOH 70 753 753 HOH HOH D . -J 5 HOH 71 755 755 HOH HOH D . -K 5 HOH 1 483 483 HOH HOH E . -K 5 HOH 2 484 484 HOH HOH E . -K 5 HOH 3 487 487 HOH HOH E . -K 5 HOH 4 488 488 HOH HOH E . -K 5 HOH 5 515 515 HOH HOH E . -K 5 HOH 6 516 516 HOH HOH E . -K 5 HOH 7 519 519 HOH HOH E . -K 5 HOH 8 520 520 HOH HOH E . -K 5 HOH 9 521 521 HOH HOH E . -K 5 HOH 10 531 531 HOH HOH E . -K 5 HOH 11 536 536 HOH HOH E . -K 5 HOH 12 537 537 HOH HOH E . -K 5 HOH 13 543 543 HOH HOH E . -K 5 HOH 14 544 544 HOH HOH E . -K 5 HOH 15 566 566 HOH HOH E . -K 5 HOH 16 570 570 HOH HOH E . -K 5 HOH 17 571 571 HOH HOH E . -K 5 HOH 18 577 577 HOH HOH E . -K 5 HOH 19 578 578 HOH HOH E . -K 5 HOH 20 579 579 HOH HOH E . -K 5 HOH 21 580 580 HOH HOH E . -K 5 HOH 22 581 581 HOH HOH E . -K 5 HOH 23 583 583 HOH HOH E . -K 5 HOH 24 590 590 HOH HOH E . -K 5 HOH 25 604 604 HOH HOH E . -K 5 HOH 26 605 605 HOH HOH E . -K 5 HOH 27 606 606 HOH HOH E . -K 5 HOH 28 618 618 HOH HOH E . -K 5 HOH 29 619 619 HOH HOH E . -K 5 HOH 30 620 620 HOH HOH E . -K 5 HOH 31 623 623 HOH HOH E . -K 5 HOH 32 625 625 HOH HOH E . -K 5 HOH 33 639 639 HOH HOH E . -K 5 HOH 34 640 640 HOH HOH E . -K 5 HOH 35 641 641 HOH HOH E . -K 5 HOH 36 646 646 HOH HOH E . -K 5 HOH 37 647 647 HOH HOH E . -K 5 HOH 38 684 684 HOH HOH E . -K 5 HOH 39 685 685 HOH HOH E . -K 5 HOH 40 686 686 HOH HOH E . -K 5 HOH 41 687 687 HOH HOH E . -K 5 HOH 42 688 688 HOH HOH E . -K 5 HOH 43 743 743 HOH HOH E . -K 5 HOH 44 750 750 HOH HOH E . -K 5 HOH 45 751 751 HOH HOH E . -K 5 HOH 46 754 754 HOH HOH E . -K 5 HOH 47 756 756 HOH HOH E . -L 5 HOH 1 491 491 HOH HOH F . -L 5 HOH 2 492 492 HOH HOH F . -L 5 HOH 3 494 494 HOH HOH F . -L 5 HOH 4 495 495 HOH HOH F . -L 5 HOH 5 496 496 HOH HOH F . -L 5 HOH 6 501 501 HOH HOH F . -L 5 HOH 7 503 503 HOH HOH F . -L 5 HOH 8 504 504 HOH HOH F . -L 5 HOH 9 507 507 HOH HOH F . -L 5 HOH 10 508 508 HOH HOH F . -L 5 HOH 11 509 509 HOH HOH F . -L 5 HOH 12 510 510 HOH HOH F . -L 5 HOH 13 513 513 HOH HOH F . -L 5 HOH 14 514 514 HOH HOH F . -L 5 HOH 15 522 522 HOH HOH F . -L 5 HOH 16 523 523 HOH HOH F . -L 5 HOH 17 526 526 HOH HOH F . -L 5 HOH 18 527 527 HOH HOH F . -L 5 HOH 19 528 528 HOH HOH F . -L 5 HOH 20 541 541 HOH HOH F . -L 5 HOH 21 542 542 HOH HOH F . -L 5 HOH 22 559 559 HOH HOH F . -L 5 HOH 23 560 560 HOH HOH F . -L 5 HOH 24 563 563 HOH HOH F . -L 5 HOH 25 564 564 HOH HOH F . -L 5 HOH 26 575 575 HOH HOH F . -L 5 HOH 27 589 589 HOH HOH F . -L 5 HOH 28 592 592 HOH HOH F . -L 5 HOH 29 596 596 HOH HOH F . -L 5 HOH 30 599 599 HOH HOH F . -L 5 HOH 31 602 602 HOH HOH F . -L 5 HOH 32 603 603 HOH HOH F . -L 5 HOH 33 608 608 HOH HOH F . -L 5 HOH 34 610 610 HOH HOH F . -L 5 HOH 35 613 613 HOH HOH F . -L 5 HOH 36 614 614 HOH HOH F . -L 5 HOH 37 615 615 HOH HOH F . -L 5 HOH 38 616 616 HOH HOH F . -L 5 HOH 39 627 627 HOH HOH F . -L 5 HOH 40 628 628 HOH HOH F . -L 5 HOH 41 629 629 HOH HOH F . -L 5 HOH 42 630 630 HOH HOH F . -L 5 HOH 43 632 632 HOH HOH F . -L 5 HOH 44 634 634 HOH HOH F . -L 5 HOH 45 637 637 HOH HOH F . -L 5 HOH 46 648 648 HOH HOH F . -L 5 HOH 47 649 649 HOH HOH F . -L 5 HOH 48 650 650 HOH HOH F . -L 5 HOH 49 651 651 HOH HOH F . -L 5 HOH 50 653 653 HOH HOH F . -L 5 HOH 51 658 658 HOH HOH F . -L 5 HOH 52 661 661 HOH HOH F . -L 5 HOH 53 662 662 HOH HOH F . -L 5 HOH 54 663 663 HOH HOH F . -L 5 HOH 55 670 670 HOH HOH F . -L 5 HOH 56 671 671 HOH HOH F . -L 5 HOH 57 673 673 HOH HOH F . -L 5 HOH 58 674 674 HOH HOH F . -L 5 HOH 59 675 675 HOH HOH F . -L 5 HOH 60 676 676 HOH HOH F . -L 5 HOH 61 678 678 HOH HOH F . -L 5 HOH 62 679 679 HOH HOH F . -L 5 HOH 63 681 681 HOH HOH F . -L 5 HOH 64 682 682 HOH HOH F . -L 5 HOH 65 689 689 HOH HOH F . -L 5 HOH 66 690 690 HOH HOH F . -L 5 HOH 67 691 691 HOH HOH F . -L 5 HOH 68 693 693 HOH HOH F . -L 5 HOH 69 703 703 HOH HOH F . -L 5 HOH 70 704 704 HOH HOH F . -L 5 HOH 71 711 711 HOH HOH F . -L 5 HOH 72 712 712 HOH HOH F . -L 5 HOH 73 716 716 HOH HOH F . -L 5 HOH 74 718 718 HOH HOH F . -L 5 HOH 75 748 748 HOH HOH F . -M 5 HOH 1 611 611 HOH HOH A . -M 5 HOH 2 654 654 HOH HOH A . -M 5 HOH 3 657 657 HOH HOH A . -M 5 HOH 4 705 705 HOH HOH A . -M 5 HOH 5 717 717 HOH HOH A . -M 5 HOH 6 719 719 HOH HOH A . -M 5 HOH 7 720 720 HOH HOH A . -M 5 HOH 8 721 721 HOH HOH A . -M 5 HOH 9 722 722 HOH HOH A . -M 5 HOH 10 723 723 HOH HOH A . -M 5 HOH 11 725 725 HOH HOH A . -M 5 HOH 12 726 726 HOH HOH A . -M 5 HOH 13 734 734 HOH HOH A . -M 5 HOH 14 735 735 HOH HOH A . -M 5 HOH 15 736 736 HOH HOH A . -M 5 HOH 16 737 737 HOH HOH A . -M 5 HOH 17 738 738 HOH HOH A . -M 5 HOH 18 744 744 HOH HOH A . -M 5 HOH 19 745 745 HOH HOH A . -M 5 HOH 20 746 746 HOH HOH A . -M 5 HOH 21 747 747 HOH HOH A . -N 5 HOH 1 532 532 HOH HOH B . -N 5 HOH 2 555 555 HOH HOH B . -N 5 HOH 3 638 638 HOH HOH B . -N 5 HOH 4 664 664 HOH HOH B . -N 5 HOH 5 665 665 HOH HOH B . -N 5 HOH 6 680 680 HOH HOH B . -N 5 HOH 7 694 694 HOH HOH B . -N 5 HOH 8 698 698 HOH HOH B . -N 5 HOH 9 727 727 HOH HOH B . -N 5 HOH 10 728 728 HOH HOH B . -N 5 HOH 11 729 729 HOH HOH B . -N 5 HOH 12 730 730 HOH HOH B . -N 5 HOH 13 731 731 HOH HOH B . -N 5 HOH 14 732 732 HOH HOH B . -N 5 HOH 15 733 733 HOH HOH B . -N 5 HOH 16 739 739 HOH HOH B . -N 5 HOH 17 740 740 HOH HOH B . -N 5 HOH 18 741 741 HOH HOH B . -N 5 HOH 19 757 757 HOH HOH B . -N 5 HOH 20 758 758 HOH HOH B . -N 5 HOH 21 759 759 HOH HOH B . -N 5 HOH 22 760 760 HOH HOH B . +_atom_type.symbol +C +N +O +P +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -1460,4731 +1022,5925 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 O "O5'" . DG A 1 1 . -5.513 61.883 -25.680 1.00 38.64 ? "O5'" DG C -5 1 -ATOM 2 C "C5'" . DG A 1 1 . -4.320 62.508 -25.164 1.00 41.72 ? "C5'" DG C -5 1 -ATOM 3 C "C4'" . DG A 1 1 . -4.328 63.985 -25.475 1.00 38.99 ? "C4'" DG C -5 1 -ATOM 4 O "O4'" . DG A 1 1 . -4.443 64.782 -24.264 1.00 30.81 ? "O4'" DG C -5 1 -ATOM 5 C "C3'" . DG A 1 1 . -3.102 64.474 -26.247 1.00 36.45 ? "C3'" DG C -5 1 -ATOM 6 O "O3'" . DG A 1 1 . -3.629 65.218 -27.360 1.00 46.52 ? "O3'" DG C -5 1 -ATOM 7 C "C2'" . DG A 1 1 . -2.320 65.297 -25.223 1.00 36.24 ? "C2'" DG C -5 1 -ATOM 8 C "C1'" . DG A 1 1 . -3.319 65.650 -24.112 1.00 38.95 ? "C1'" DG C -5 1 -ATOM 9 N N9 . DG A 1 1 . -2.861 65.541 -22.717 1.00 36.28 ? N9 DG C -5 1 -ATOM 10 C C8 . DG A 1 1 . -2.739 64.397 -21.970 1.00 33.98 ? C8 DG C -5 1 -ATOM 11 N N7 . DG A 1 1 . -2.338 64.624 -20.741 1.00 39.95 ? N7 DG C -5 1 -ATOM 12 C C5 . DG A 1 1 . -2.185 66.002 -20.669 1.00 35.4 ? C5 DG C -5 1 -ATOM 13 C C6 . DG A 1 1 . -1.775 66.862 -19.573 1.00 38.15 ? C6 DG C -5 1 -ATOM 14 O O6 . DG A 1 1 . -1.507 66.565 -18.403 1.00 32.94 ? O6 DG C -5 1 -ATOM 15 N N1 . DG A 1 1 . -1.712 68.193 -19.962 1.00 38.66 ? N1 DG C -5 1 -ATOM 16 C C2 . DG A 1 1 . -2.019 68.662 -21.202 1.00 43.52 ? C2 DG C -5 1 -ATOM 17 N N2 . DG A 1 1 . -1.892 69.982 -21.387 1.00 40.44 ? N2 DG C -5 1 -ATOM 18 N N3 . DG A 1 1 . -2.423 67.893 -22.212 1.00 46.07 ? N3 DG C -5 1 -ATOM 19 C C4 . DG A 1 1 . -2.482 66.586 -21.881 1.00 37.8 ? C4 DG C -5 1 -ATOM 20 P P . DC A 1 2 . -2.672 65.800 -28.514 1.00 43.99 ? P DC C -4 1 -ATOM 21 O OP1 . DC A 1 2 . -3.635 66.486 -29.432 1.00 41.89 ? OP1 DC C -4 1 -ATOM 22 O OP2 . DC A 1 2 . -1.774 64.742 -29.034 1.00 42.54 ? OP2 DC C -4 1 -ATOM 23 O "O5'" . DC A 1 2 . -1.839 66.949 -27.763 1.00 49.52 ? "O5'" DC C -4 1 -ATOM 24 C "C5'" . DC A 1 2 . -2.502 68.023 -27.042 1.00 39.42 ? "C5'" DC C -4 1 -ATOM 25 C "C4'" . DC A 1 2 . -2.448 69.314 -27.835 1.00 45.05 ? "C4'" DC C -4 1 -ATOM 26 O "O4'" . DC A 1 2 . -2.052 70.421 -26.997 1.00 38.1 ? "O4'" DC C -4 1 -ATOM 27 C "C3'" . DC A 1 2 . -1.383 69.287 -28.922 1.00 48.1 ? "C3'" DC C -4 1 -ATOM 28 O "O3'" . DC A 1 2 . -1.717 70.209 -29.944 1.00 53.24 ? "O3'" DC C -4 1 -ATOM 29 C "C2'" . DC A 1 2 . -0.129 69.756 -28.208 1.00 50.54 ? "C2'" DC C -4 1 -ATOM 30 C "C1'" . DC A 1 2 . -0.629 70.414 -26.930 1.00 46.09 ? "C1'" DC C -4 1 -ATOM 31 N N1 . DC A 1 2 . -0.270 69.624 -25.759 1.00 45.78 ? N1 DC C -4 1 -ATOM 32 C C2 . DC A 1 2 . -0.169 70.270 -24.535 1.00 49.94 ? C2 DC C -4 1 -ATOM 33 O O2 . DC A 1 2 . -0.365 71.498 -24.495 1.00 55 ? O2 DC C -4 1 -ATOM 34 N N3 . DC A 1 2 . 0.137 69.555 -23.425 1.00 45.26 ? N3 DC C -4 1 -ATOM 35 C C4 . DC A 1 2 . 0.342 68.242 -23.523 1.00 45.88 ? C4 DC C -4 1 -ATOM 36 N N4 . DC A 1 2 . 0.631 67.562 -22.396 1.00 39.63 ? N4 DC C -4 1 -ATOM 37 C C5 . DC A 1 2 . 0.257 67.561 -24.780 1.00 47.94 ? C5 DC C -4 1 -ATOM 38 C C6 . DC A 1 2 . -0.046 68.283 -25.858 1.00 38.54 ? C6 DC C -4 1 -ATOM 39 P P . DG A 1 3 . -1.047 70.066 -31.388 1.00 48.45 ? P DG C -3 1 -ATOM 40 O OP1 . DG A 1 3 . -2.067 70.399 -32.445 1.00 50.01 ? OP1 DG C -3 1 -ATOM 41 O OP2 . DG A 1 3 . -0.415 68.728 -31.365 1.00 51.07 ? OP2 DG C -3 1 -ATOM 42 O "O5'" . DG A 1 3 . 0.050 71.208 -31.389 1.00 45.6 ? "O5'" DG C -3 1 -ATOM 43 C "C5'" . DG A 1 3 . 1.345 70.968 -30.881 1.00 45.65 ? "C5'" DG C -3 1 -ATOM 44 C "C4'" . DG A 1 3 . 1.892 72.247 -30.307 1.00 48.82 ? "C4'" DG C -3 1 -ATOM 45 O "O4'" . DG A 1 3 . 2.096 72.061 -28.896 1.00 49.02 ? "O4'" DG C -3 1 -ATOM 46 C "C3'" . DG A 1 3 . 3.254 72.610 -30.848 1.00 49.88 ? "C3'" DG C -3 1 -ATOM 47 O "O3'" . DG A 1 3 . 3.435 74.032 -30.679 1.00 50.46 ? "O3'" DG C -3 1 -ATOM 48 C "C2'" . DG A 1 3 . 4.171 71.762 -29.973 1.00 48.77 ? "C2'" DG C -3 1 -ATOM 49 C "C1'" . DG A 1 3 . 3.481 71.831 -28.626 1.00 53.28 ? "C1'" DG C -3 1 -ATOM 50 N N9 . DG A 1 3 . 3.584 70.642 -27.768 1.00 54.83 ? N9 DG C -3 1 -ATOM 51 C C8 . DG A 1 3 . 3.540 69.321 -28.143 1.00 49.73 ? C8 DG C -3 1 -ATOM 52 N N7 . DG A 1 3 . 3.646 68.501 -27.130 1.00 48.47 ? N7 DG C -3 1 -ATOM 53 C C5 . DG A 1 3 . 3.773 69.325 -26.023 1.00 44.64 ? C5 DG C -3 1 -ATOM 54 C C6 . DG A 1 3 . 3.926 69.011 -24.665 1.00 40.91 ? C6 DG C -3 1 -ATOM 55 O O6 . DG A 1 3 . 4.003 67.922 -24.135 1.00 39.8 ? O6 DG C -3 1 -ATOM 56 N N1 . DG A 1 3 . 4.003 70.138 -23.890 1.00 45.45 ? N1 DG C -3 1 -ATOM 57 C C2 . DG A 1 3 . 3.958 71.419 -24.353 1.00 43.65 ? C2 DG C -3 1 -ATOM 58 N N2 . DG A 1 3 . 4.056 72.375 -23.425 1.00 47.81 ? N2 DG C -3 1 -ATOM 59 N N3 . DG A 1 3 . 3.827 71.741 -25.613 1.00 45.65 ? N3 DG C -3 1 -ATOM 60 C C4 . DG A 1 3 . 3.738 70.649 -26.393 1.00 49.55 ? C4 DG C -3 1 -ATOM 61 P P . DA A 1 4 . 4.300 74.860 -31.757 1.00 52.22 ? P DA C -2 1 -ATOM 62 O OP1 . DA A 1 4 . 3.369 75.612 -32.671 1.00 48.13 ? OP1 DA C -2 1 -ATOM 63 O OP2 . DA A 1 4 . 5.338 73.940 -32.351 1.00 46.12 ? OP2 DA C -2 1 -ATOM 64 O "O5'" . DA A 1 4 . 5.135 75.903 -30.884 1.00 51.19 ? "O5'" DA C -2 1 -ATOM 65 C "C5'" . DA A 1 4 . 4.504 76.780 -29.973 1.00 42.96 ? "C5'" DA C -2 1 -ATOM 66 C "C4'" . DA A 1 4 . 5.313 76.844 -28.701 1.00 51.9 ? "C4'" DA C -2 1 -ATOM 67 O "O4'" . DA A 1 4 . 5.377 75.524 -28.094 1.00 55 ? "O4'" DA C -2 1 -ATOM 68 C "C3'" . DA A 1 4 . 6.766 77.289 -28.867 1.00 49.76 ? "C3'" DA C -2 1 -ATOM 69 O "O3'" . DA A 1 4 . 7.103 78.034 -27.673 1.00 45.65 ? "O3'" DA C -2 1 -ATOM 70 C "C2'" . DA A 1 4 . 7.501 75.950 -28.920 1.00 50.32 ? "C2'" DA C -2 1 -ATOM 71 C "C1'" . DA A 1 4 . 6.726 75.133 -27.892 1.00 51.61 ? "C1'" DA C -2 1 -ATOM 72 N N9 . DA A 1 4 . 6.781 73.667 -28.011 1.00 54.31 ? N9 DA C -2 1 -ATOM 73 C C8 . DA A 1 4 . 6.819 72.889 -29.157 1.00 54.67 ? C8 DA C -2 1 -ATOM 74 N N7 . DA A 1 4 . 6.846 71.590 -28.921 1.00 47.83 ? N7 DA C -2 1 -ATOM 75 C C5 . DA A 1 4 . 6.833 71.505 -27.533 1.00 46.09 ? C5 DA C -2 1 -ATOM 76 C C6 . DA A 1 4 . 6.857 70.400 -26.641 1.00 40.88 ? C6 DA C -2 1 -ATOM 77 N N6 . DA A 1 4 . 6.890 69.123 -27.018 1.00 40.41 ? N6 DA C -2 1 -ATOM 78 N N1 . DA A 1 4 . 6.842 70.664 -25.328 1.00 42.95 ? N1 DA C -2 1 -ATOM 79 C C2 . DA A 1 4 . 6.801 71.942 -24.937 1.00 45.27 ? C2 DA C -2 1 -ATOM 80 N N3 . DA A 1 4 . 6.775 73.060 -25.664 1.00 40.58 ? N3 DA C -2 1 -ATOM 81 C C4 . DA A 1 4 . 6.794 72.775 -26.963 1.00 47.4 ? C4 DA C -2 1 -ATOM 82 P P . DA A 1 5 . 8.207 79.196 -27.713 1.00 46.03 ? P DA C -1 1 -ATOM 83 O OP1 . DA A 1 5 . 7.595 80.446 -27.189 1.00 40.78 ? OP1 DA C -1 1 -ATOM 84 O OP2 . DA A 1 5 . 8.770 79.127 -29.092 1.00 45.36 ? OP2 DA C -1 1 -ATOM 85 O "O5'" . DA A 1 5 . 9.336 78.745 -26.679 1.00 46.41 ? "O5'" DA C -1 1 -ATOM 86 C "C5'" . DA A 1 5 . 9.090 78.817 -25.270 1.00 52.5 ? "C5'" DA C -1 1 -ATOM 87 C "C4'" . DA A 1 5 . 9.985 77.875 -24.475 1.00 47.09 ? "C4'" DA C -1 1 -ATOM 88 O "O4'" . DA A 1 5 . 9.776 76.472 -24.743 1.00 51.83 ? "O4'" DA C -1 1 -ATOM 89 C "C3'" . DA A 1 5 . 11.483 78.094 -24.532 1.00 37.18 ? "C3'" DA C -1 1 -ATOM 90 O "O3'" . DA A 1 5 . 11.827 78.105 -23.191 1.00 39.85 ? "O3'" DA C -1 1 -ATOM 91 C "C2'" . DA A 1 5 . 12.035 76.871 -25.245 1.00 38.58 ? "C2'" DA C -1 1 -ATOM 92 C "C1'" . DA A 1 5 . 11.022 75.795 -24.899 1.00 48.8 ? "C1'" DA C -1 1 -ATOM 93 N N9 . DA A 1 5 . 10.780 74.723 -25.877 1.00 46.32 ? N9 DA C -1 1 -ATOM 94 C C8 . DA A 1 5 . 10.462 74.789 -27.210 1.00 51.01 ? C8 DA C -1 1 -ATOM 95 N N7 . DA A 1 5 . 10.279 73.613 -27.776 1.00 48.57 ? N7 DA C -1 1 -ATOM 96 C C5 . DA A 1 5 . 10.499 72.718 -26.751 1.00 48.85 ? C5 DA C -1 1 -ATOM 97 C C6 . DA A 1 5 . 10.431 71.323 -26.688 1.00 48.01 ? C6 DA C -1 1 -ATOM 98 N N6 . DA A 1 5 . 10.155 70.530 -27.723 1.00 53.37 ? N6 DA C -1 1 -ATOM 99 N N1 . DA A 1 5 . 10.668 70.748 -25.506 1.00 49.06 ? N1 DA C -1 1 -ATOM 100 C C2 . DA A 1 5 . 10.966 71.521 -24.456 1.00 51.75 ? C2 DA C -1 1 -ATOM 101 N N3 . DA A 1 5 . 11.071 72.840 -24.381 1.00 51.23 ? N3 DA C -1 1 -ATOM 102 C C4 . DA A 1 5 . 10.815 73.385 -25.577 1.00 50.45 ? C4 DA C -1 1 -ATOM 103 P P . DA A 1 6 . 13.350 78.050 -22.773 1.00 47.45 ? P DA C 1 1 -ATOM 104 O OP1 . DA A 1 6 . 13.469 78.954 -21.582 1.00 45.49 ? OP1 DA C 1 1 -ATOM 105 O OP2 . DA A 1 6 . 14.274 78.193 -23.934 1.00 42.5 ? OP2 DA C 1 1 -ATOM 106 O "O5'" . DA A 1 6 . 13.498 76.545 -22.326 1.00 48.52 ? "O5'" DA C 1 1 -ATOM 107 C "C5'" . DA A 1 6 . 12.567 75.958 -21.444 1.00 43.66 ? "C5'" DA C 1 1 -ATOM 108 C "C4'" . DA A 1 6 . 13.127 74.642 -20.987 1.00 45.75 ? "C4'" DA C 1 1 -ATOM 109 O "O4'" . DA A 1 6 . 13.034 73.740 -22.116 1.00 39.86 ? "O4'" DA C 1 1 -ATOM 110 C "C3'" . DA A 1 6 . 14.615 74.720 -20.604 1.00 45.3 ? "C3'" DA C 1 1 -ATOM 111 O "O3'" . DA A 1 6 . 14.788 74.066 -19.312 1.00 47.29 ? "O3'" DA C 1 1 -ATOM 112 C "C2'" . DA A 1 6 . 15.331 74.106 -21.803 1.00 40.69 ? "C2'" DA C 1 1 -ATOM 113 C "C1'" . DA A 1 6 . 14.294 73.152 -22.379 1.00 40.17 ? "C1'" DA C 1 1 -ATOM 114 N N9 . DA A 1 6 . 14.311 72.882 -23.814 1.00 43.03 ? N9 DA C 1 1 -ATOM 115 C C8 . DA A 1 6 . 14.560 73.738 -24.843 1.00 47.38 ? C8 DA C 1 1 -ATOM 116 N N7 . DA A 1 6 . 14.454 73.186 -26.030 1.00 46.14 ? N7 DA C 1 1 -ATOM 117 C C5 . DA A 1 6 . 14.118 71.871 -25.758 1.00 42.97 ? C5 DA C 1 1 -ATOM 118 C C6 . DA A 1 6 . 13.824 70.756 -26.604 1.00 47.73 ? C6 DA C 1 1 -ATOM 119 N N6 . DA A 1 6 . 13.851 70.790 -27.945 1.00 44.81 ? N6 DA C 1 1 -ATOM 120 N N1 . DA A 1 6 . 13.494 69.592 -26.006 1.00 51.72 ? N1 DA C 1 1 -ATOM 121 C C2 . DA A 1 6 . 13.464 69.553 -24.654 1.00 55 ? C2 DA C 1 1 -ATOM 122 N N3 . DA A 1 6 . 13.717 70.525 -23.768 1.00 45.64 ? N3 DA C 1 1 -ATOM 123 C C4 . DA A 1 6 . 14.039 71.668 -24.393 1.00 43.59 ? C4 DA C 1 1 -ATOM 124 P P . DA A 1 7 . 16.253 73.696 -18.748 1.00 45.8 ? P DA C 2 1 -ATOM 125 O OP1 . DA A 1 7 . 16.183 73.492 -17.271 1.00 44.06 ? OP1 DA C 2 1 -ATOM 126 O OP2 . DA A 1 7 . 17.314 74.543 -19.344 1.00 42.72 ? OP2 DA C 2 1 -ATOM 127 O "O5'" . DA A 1 7 . 16.478 72.240 -19.326 1.00 51.3 ? "O5'" DA C 2 1 -ATOM 128 C "C5'" . DA A 1 7 . 15.493 71.236 -19.112 1.00 47.61 ? "C5'" DA C 2 1 -ATOM 129 C "C4'" . DA A 1 7 . 15.922 69.943 -19.763 1.00 42.19 ? "C4'" DA C 2 1 -ATOM 130 O "O4'" . DA A 1 7 . 15.790 70.056 -21.196 1.00 39.05 ? "O4'" DA C 2 1 -ATOM 131 C "C3'" . DA A 1 7 . 17.371 69.560 -19.486 1.00 34.23 ? "C3'" DA C 2 1 -ATOM 132 O "O3'" . DA A 1 7 . 17.340 68.254 -18.878 1.00 29.13 ? "O3'" DA C 2 1 -ATOM 133 C "C2'" . DA A 1 7 . 18.022 69.640 -20.861 1.00 30.35 ? "C2'" DA C 2 1 -ATOM 134 C "C1'" . DA A 1 7 . 16.863 69.442 -21.807 1.00 30.17 ? "C1'" DA C 2 1 -ATOM 135 N N9 . DA A 1 7 . 17.041 70.086 -23.087 1.00 28.16 ? N9 DA C 2 1 -ATOM 136 C C8 . DA A 1 7 . 17.331 71.391 -23.351 1.00 37.58 ? C8 DA C 2 1 -ATOM 137 N N7 . DA A 1 7 . 17.451 71.662 -24.618 1.00 35.88 ? N7 DA C 2 1 -ATOM 138 C C5 . DA A 1 7 . 17.221 70.435 -25.233 1.00 39.4 ? C5 DA C 2 1 -ATOM 139 C C6 . DA A 1 7 . 17.271 70.012 -26.579 1.00 38.39 ? C6 DA C 2 1 -ATOM 140 N N6 . DA A 1 7 . 17.514 70.816 -27.604 1.00 42.42 ? N6 DA C 2 1 -ATOM 141 N N1 . DA A 1 7 . 17.058 68.710 -26.831 1.00 37.24 ? N1 DA C 2 1 -ATOM 142 C C2 . DA A 1 7 . 16.808 67.890 -25.803 1.00 38.7 ? C2 DA C 2 1 -ATOM 143 N N3 . DA A 1 7 . 16.734 68.161 -24.520 1.00 34.87 ? N3 DA C 2 1 -ATOM 144 C C4 . DA A 1 7 . 16.957 69.467 -24.293 1.00 34.26 ? C4 DA C 2 1 -ATOM 145 P P . DG A 1 8 . 18.711 67.431 -18.615 1.00 18.93 ? P DG C 3 1 -ATOM 146 O OP1 . DG A 1 8 . 18.258 66.503 -17.501 1.00 17.51 ? OP1 DG C 3 1 -ATOM 147 O OP2 . DG A 1 8 . 19.981 68.214 -18.499 1.00 15.92 ? OP2 DG C 3 1 -ATOM 148 O "O5'" . DG A 1 8 . 18.863 66.613 -19.967 1.00 22.62 ? "O5'" DG C 3 1 -ATOM 149 C "C5'" . DG A 1 8 . 17.817 65.715 -20.388 1.00 19.89 ? "C5'" DG C 3 1 -ATOM 150 C "C4'" . DG A 1 8 . 18.278 64.931 -21.585 1.00 10.77 ? "C4'" DG C 3 1 -ATOM 151 O "O4'" . DG A 1 8 . 18.382 65.896 -22.634 1.00 13.32 ? "O4'" DG C 3 1 -ATOM 152 C "C3'" . DG A 1 8 . 19.678 64.313 -21.451 1.00 12.75 ? "C3'" DG C 3 1 -ATOM 153 O "O3'" . DG A 1 8 . 19.583 62.928 -21.708 1.00 14.83 ? "O3'" DG C 3 1 -ATOM 154 C "C2'" . DG A 1 8 . 20.508 65.046 -22.477 1.00 6 ? "C2'" DG C 3 1 -ATOM 155 C "C1'" . DG A 1 8 . 19.427 65.526 -23.434 1.00 14.49 ? "C1'" DG C 3 1 -ATOM 156 N N9 . DG A 1 8 . 19.855 66.655 -24.243 1.00 21.27 ? N9 DG C 3 1 -ATOM 157 C C8 . DG A 1 8 . 20.562 67.748 -23.802 1.00 30.68 ? C8 DG C 3 1 -ATOM 158 N N7 . DG A 1 8 . 20.895 68.569 -24.760 1.00 31.53 ? N7 DG C 3 1 -ATOM 159 C C5 . DG A 1 8 . 20.359 67.993 -25.906 1.00 32.34 ? C5 DG C 3 1 -ATOM 160 C C6 . DG A 1 8 . 20.455 68.399 -27.280 1.00 31.35 ? C6 DG C 3 1 -ATOM 161 O O6 . DG A 1 8 . 21.035 69.435 -27.791 1.00 26.87 ? O6 DG C 3 1 -ATOM 162 N N1 . DG A 1 8 . 19.800 67.489 -28.115 1.00 33.43 ? N1 DG C 3 1 -ATOM 163 C C2 . DG A 1 8 . 19.146 66.362 -27.705 1.00 35.48 ? C2 DG C 3 1 -ATOM 164 N N2 . DG A 1 8 . 18.574 65.651 -28.702 1.00 34.59 ? N2 DG C 3 1 -ATOM 165 N N3 . DG A 1 8 . 19.058 65.967 -26.430 1.00 28.62 ? N3 DG C 3 1 -ATOM 166 C C4 . DG A 1 8 . 19.686 66.821 -25.596 1.00 23.64 ? C4 DG C 3 1 -ATOM 167 P P . DT A 1 9 . 20.899 62.044 -21.929 1.00 17.48 ? P DT C 4 1 -ATOM 168 O OP1 . DT A 1 9 . 20.504 60.642 -21.676 1.00 28.44 ? OP1 DT C 4 1 -ATOM 169 O OP2 . DT A 1 9 . 22.214 62.555 -21.389 1.00 21.5 ? OP2 DT C 4 1 -ATOM 170 O "O5'" . DT A 1 9 . 21.133 62.257 -23.491 1.00 28.24 ? "O5'" DT C 4 1 -ATOM 171 C "C5'" . DT A 1 9 . 20.299 61.671 -24.463 1.00 17.17 ? "C5'" DT C 4 1 -ATOM 172 C "C4'" . DT A 1 9 . 21.077 61.568 -25.744 1.00 21.82 ? "C4'" DT C 4 1 -ATOM 173 O "O4'" . DT A 1 9 . 21.197 62.933 -26.189 1.00 25.33 ? "O4'" DT C 4 1 -ATOM 174 C "C3'" . DT A 1 9 . 22.517 61.030 -25.571 1.00 24.78 ? "C3'" DT C 4 1 -ATOM 175 O "O3'" . DT A 1 9 . 22.744 59.961 -26.509 1.00 19.15 ? "O3'" DT C 4 1 -ATOM 176 C "C2'" . DT A 1 9 . 23.425 62.234 -25.783 1.00 22.8 ? "C2'" DT C 4 1 -ATOM 177 C "C1'" . DT A 1 9 . 22.531 63.164 -26.598 1.00 26.79 ? "C1'" DT C 4 1 -ATOM 178 N N1 . DT A 1 9 . 22.802 64.613 -26.484 1.00 27.98 ? N1 DT C 4 1 -ATOM 179 C C2 . DT A 1 9 . 22.857 65.297 -27.679 1.00 23.63 ? C2 DT C 4 1 -ATOM 180 O O2 . DT A 1 9 . 22.666 64.738 -28.745 1.00 29.11 ? O2 DT C 4 1 -ATOM 181 N N3 . DT A 1 9 . 23.139 66.653 -27.586 1.00 18.52 ? N3 DT C 4 1 -ATOM 182 C C4 . DT A 1 9 . 23.365 67.368 -26.418 1.00 26.6 ? C4 DT C 4 1 -ATOM 183 O O4 . DT A 1 9 . 23.613 68.594 -26.490 1.00 18.4 ? O4 DT C 4 1 -ATOM 184 C C5 . DT A 1 9 . 23.281 66.557 -25.168 1.00 15.09 ? C5 DT C 4 1 -ATOM 185 C C7 . DT A 1 9 . 23.523 67.217 -23.857 1.00 17.01 ? C7 DT C 4 1 -ATOM 186 C C6 . DT A 1 9 . 23.003 65.249 -25.272 1.00 21.89 ? C6 DT C 4 1 -ATOM 187 P P . DG A 1 10 . 24.220 59.323 -26.711 1.00 25.35 ? P DG C 5 1 -ATOM 188 O OP1 . DG A 1 10 . 23.806 57.932 -26.932 1.00 24.62 ? OP1 DG C 5 1 -ATOM 189 O OP2 . DG A 1 10 . 25.315 59.649 -25.757 1.00 23.48 ? OP2 DG C 5 1 -ATOM 190 O "O5'" . DG A 1 10 . 24.653 59.869 -28.138 1.00 32.8 ? "O5'" DG C 5 1 -ATOM 191 C "C5'" . DG A 1 10 . 23.752 59.614 -29.225 1.00 36.5 ? "C5'" DG C 5 1 -ATOM 192 C "C4'" . DG A 1 10 . 24.415 59.818 -30.556 1.00 25.94 ? "C4'" DG C 5 1 -ATOM 193 O "O4'" . DG A 1 10 . 24.753 61.197 -30.595 1.00 28.89 ? "O4'" DG C 5 1 -ATOM 194 C "C3'" . DG A 1 10 . 25.685 59.022 -30.785 1.00 34.63 ? "C3'" DG C 5 1 -ATOM 195 O "O3'" . DG A 1 10 . 25.620 58.394 -32.092 1.00 32.43 ? "O3'" DG C 5 1 -ATOM 196 C "C2'" . DG A 1 10 . 26.799 60.023 -30.503 1.00 33.78 ? "C2'" DG C 5 1 -ATOM 197 C "C1'" . DG A 1 10 . 26.143 61.394 -30.612 1.00 35.99 ? "C1'" DG C 5 1 -ATOM 198 N N9 . DG A 1 10 . 26.408 62.369 -29.558 1.00 40.06 ? N9 DG C 5 1 -ATOM 199 C C8 . DG A 1 10 . 26.645 62.115 -28.231 1.00 35.11 ? C8 DG C 5 1 -ATOM 200 N N7 . DG A 1 10 . 26.819 63.202 -27.521 1.00 33.83 ? N7 DG C 5 1 -ATOM 201 C C5 . DG A 1 10 . 26.690 64.246 -28.429 1.00 37.23 ? C5 DG C 5 1 -ATOM 202 C C6 . DG A 1 10 . 26.781 65.665 -28.231 1.00 33.12 ? C6 DG C 5 1 -ATOM 203 O O6 . DG A 1 10 . 26.979 66.277 -27.196 1.00 36.14 ? O6 DG C 5 1 -ATOM 204 N N1 . DG A 1 10 . 26.610 66.365 -29.415 1.00 35.63 ? N1 DG C 5 1 -ATOM 205 C C2 . DG A 1 10 . 26.384 65.789 -30.646 1.00 38.08 ? C2 DG C 5 1 -ATOM 206 N N2 . DG A 1 10 . 26.275 66.639 -31.649 1.00 35.21 ? N2 DG C 5 1 -ATOM 207 N N3 . DG A 1 10 . 26.281 64.466 -30.863 1.00 37.93 ? N3 DG C 5 1 -ATOM 208 C C4 . DG A 1 10 . 26.445 63.757 -29.704 1.00 41.91 ? C4 DG C 5 1 -ATOM 209 P P . DT A 1 11 . 26.965 58.071 -32.910 1.00 40.56 ? P DT C 6 1 -ATOM 210 O OP1 . DT A 1 11 . 26.564 57.966 -34.310 1.00 35.2 ? OP1 DT C 6 1 -ATOM 211 O OP2 . DT A 1 11 . 27.790 56.985 -32.319 1.00 36 ? OP2 DT C 6 1 -ATOM 212 O "O5'" . DT A 1 11 . 27.764 59.412 -32.739 1.00 33.05 ? "O5'" DT C 6 1 -ATOM 213 C "C5'" . DT A 1 11 . 27.400 60.519 -33.495 1.00 25.39 ? "C5'" DT C 6 1 -ATOM 214 C "C4'" . DT A 1 11 . 28.601 60.978 -34.243 1.00 33.42 ? "C4'" DT C 6 1 -ATOM 215 O "O4'" . DT A 1 11 . 29.078 62.130 -33.549 1.00 33.86 ? "O4'" DT C 6 1 -ATOM 216 C "C3'" . DT A 1 11 . 29.747 59.969 -34.226 1.00 43.29 ? "C3'" DT C 6 1 -ATOM 217 O "O3'" . DT A 1 11 . 30.483 60.179 -35.440 1.00 54.14 ? "O3'" DT C 6 1 -ATOM 218 C "C2'" . DT A 1 11 . 30.549 60.369 -32.992 1.00 37.21 ? "C2'" DT C 6 1 -ATOM 219 C "C1'" . DT A 1 11 . 30.302 61.878 -32.866 1.00 37.56 ? "C1'" DT C 6 1 -ATOM 220 N N1 . DT A 1 11 . 30.084 62.366 -31.495 1.00 38.76 ? N1 DT C 6 1 -ATOM 221 C C2 . DT A 1 11 . 29.879 63.727 -31.286 1.00 38.07 ? C2 DT C 6 1 -ATOM 222 O O2 . DT A 1 11 . 29.906 64.568 -32.164 1.00 37.79 ? O2 DT C 6 1 -ATOM 223 N N3 . DT A 1 11 . 29.643 64.073 -29.991 1.00 42.06 ? N3 DT C 6 1 -ATOM 224 C C4 . DT A 1 11 . 29.600 63.230 -28.901 1.00 43.79 ? C4 DT C 6 1 -ATOM 225 O O4 . DT A 1 11 . 29.371 63.699 -27.790 1.00 42.64 ? O4 DT C 6 1 -ATOM 226 C C5 . DT A 1 11 . 29.841 61.814 -29.195 1.00 42.21 ? C5 DT C 6 1 -ATOM 227 C C7 . DT A 1 11 . 29.822 60.814 -28.086 1.00 42.65 ? C7 DT C 6 1 -ATOM 228 C C6 . DT A 1 11 . 30.069 61.470 -30.457 1.00 37.01 ? C6 DT C 6 1 -ATOM 229 P P . DG A 1 12 . 31.343 59.002 -36.098 1.00 53.86 ? P DG C 7 1 -ATOM 230 O OP1 . DG A 1 12 . 31.126 59.181 -37.584 1.00 47.74 ? OP1 DG C 7 1 -ATOM 231 O OP2 . DG A 1 12 . 31.029 57.678 -35.465 1.00 55 ? OP2 DG C 7 1 -ATOM 232 O "O5'" . DG A 1 12 . 32.825 59.451 -35.688 1.00 52.23 ? "O5'" DG C 7 1 -ATOM 233 C "C5'" . DG A 1 12 . 33.372 60.676 -36.214 1.00 51.25 ? "C5'" DG C 7 1 -ATOM 234 C "C4'" . DG A 1 12 . 34.721 61.016 -35.603 1.00 50.7 ? "C4'" DG C 7 1 -ATOM 235 O "O4'" . DG A 1 12 . 34.534 61.717 -34.355 1.00 49.07 ? "O4'" DG C 7 1 -ATOM 236 C "C3'" . DG A 1 12 . 35.666 59.854 -35.291 1.00 53.77 ? "C3'" DG C 7 1 -ATOM 237 O "O3'" . DG A 1 12 . 37.034 60.280 -35.526 1.00 50.25 ? "O3'" DG C 7 1 -ATOM 238 C "C2'" . DG A 1 12 . 35.403 59.617 -33.808 1.00 54.16 ? "C2'" DG C 7 1 -ATOM 239 C "C1'" . DG A 1 12 . 35.221 61.043 -33.315 1.00 52.84 ? "C1'" DG C 7 1 -ATOM 240 N N9 . DG A 1 12 . 34.427 61.208 -32.107 1.00 49.18 ? N9 DG C 7 1 -ATOM 241 C C8 . DG A 1 12 . 33.357 60.460 -31.688 1.00 49.23 ? C8 DG C 7 1 -ATOM 242 N N7 . DG A 1 12 . 32.859 60.885 -30.559 1.00 49.36 ? N7 DG C 7 1 -ATOM 243 C C5 . DG A 1 12 . 33.658 61.972 -30.223 1.00 45.61 ? C5 DG C 7 1 -ATOM 244 C C6 . DG A 1 12 . 33.595 62.855 -29.120 1.00 43.93 ? C6 DG C 7 1 -ATOM 245 O O6 . DG A 1 12 . 32.817 62.849 -28.181 1.00 48.29 ? O6 DG C 7 1 -ATOM 246 N N1 . DG A 1 12 . 34.572 63.828 -29.184 1.00 48.24 ? N1 DG C 7 1 -ATOM 247 C C2 . DG A 1 12 . 35.501 63.943 -30.187 1.00 51.08 ? C2 DG C 7 1 -ATOM 248 N N2 . DG A 1 12 . 36.385 64.954 -30.084 1.00 48.89 ? N2 DG C 7 1 -ATOM 249 N N3 . DG A 1 12 . 35.566 63.129 -31.218 1.00 51.58 ? N3 DG C 7 1 -ATOM 250 C C4 . DG A 1 12 . 34.622 62.174 -31.171 1.00 45.71 ? C4 DG C 7 1 -ATOM 251 P P . DA A 1 13 . 38.033 59.370 -36.407 1.00 50.53 ? P DA C 8 1 -ATOM 252 O OP1 . DA A 1 13 . 37.594 59.400 -37.818 1.00 54.92 ? OP1 DA C 8 1 -ATOM 253 O OP2 . DA A 1 13 . 38.282 58.052 -35.740 1.00 48.74 ? OP2 DA C 8 1 -ATOM 254 O "O5'" . DA A 1 13 . 39.371 60.212 -36.338 1.00 53.18 ? "O5'" DA C 8 1 -ATOM 255 C "C5'" . DA A 1 13 . 39.365 61.593 -36.705 1.00 48.77 ? "C5'" DA C 8 1 -ATOM 256 C "C4'" . DA A 1 13 . 40.338 62.376 -35.849 1.00 50.89 ? "C4'" DA C 8 1 -ATOM 257 O "O4'" . DA A 1 13 . 39.680 62.759 -34.612 1.00 54 ? "O4'" DA C 8 1 -ATOM 258 C "C3'" . DA A 1 13 . 41.610 61.600 -35.469 1.00 49.06 ? "C3'" DA C 8 1 -ATOM 259 O "O3'" . DA A 1 13 . 42.807 62.293 -35.881 1.00 50.06 ? "O3'" DA C 8 1 -ATOM 260 C "C2'" . DA A 1 13 . 41.509 61.350 -33.967 1.00 49.82 ? "C2'" DA C 8 1 -ATOM 261 C "C1'" . DA A 1 13 . 40.409 62.289 -33.477 1.00 49.02 ? "C1'" DA C 8 1 -ATOM 262 N N9 . DA A 1 13 . 39.451 61.633 -32.614 1.00 42.96 ? N9 DA C 8 1 -ATOM 263 C C8 . DA A 1 13 . 38.713 60.510 -32.851 1.00 44.89 ? C8 DA C 8 1 -ATOM 264 N N7 . DA A 1 13 . 37.921 60.181 -31.860 1.00 46.16 ? N7 DA C 8 1 -ATOM 265 C C5 . DA A 1 13 . 38.160 61.165 -30.899 1.00 47.1 ? C5 DA C 8 1 -ATOM 266 C C6 . DA A 1 13 . 37.648 61.391 -29.589 1.00 41.87 ? C6 DA C 8 1 -ATOM 267 N N6 . DA A 1 13 . 36.742 60.623 -28.960 1.00 44.15 ? N6 DA C 8 1 -ATOM 268 N N1 . DA A 1 13 . 38.122 62.460 -28.929 1.00 47.7 ? N1 DA C 8 1 -ATOM 269 C C2 . DA A 1 13 . 39.055 63.243 -29.525 1.00 49.8 ? C2 DA C 8 1 -ATOM 270 N N3 . DA A 1 13 . 39.609 63.127 -30.722 1.00 43.83 ? N3 DA C 8 1 -ATOM 271 C C4 . DA A 1 13 . 39.109 62.061 -31.364 1.00 44.77 ? C4 DA C 8 1 -ATOM 272 P P . DC A 1 14 . 43.209 63.711 -35.215 1.00 55 ? P DC C 9 1 -ATOM 273 O OP1 . DC A 1 14 . 42.187 64.272 -34.220 1.00 45.38 ? OP1 DC C 9 1 -ATOM 274 O OP2 . DC A 1 14 . 43.640 64.570 -36.356 1.00 55 ? OP2 DC C 9 1 -ATOM 275 O "O5'" . DC A 1 14 . 44.591 63.333 -34.488 1.00 55 ? "O5'" DC C 9 1 -ATOM 276 C "C5'" . DC A 1 14 . 44.629 62.522 -33.292 1.00 55 ? "C5'" DC C 9 1 -ATOM 277 C "C4'" . DC A 1 14 . 44.806 63.399 -32.071 1.00 55 ? "C4'" DC C 9 1 -ATOM 278 O "O4'" . DC A 1 14 . 43.485 63.682 -31.530 1.00 55 ? "O4'" DC C 9 1 -ATOM 279 C "C3'" . DC A 1 14 . 45.575 62.759 -30.908 1.00 55 ? "C3'" DC C 9 1 -ATOM 280 O "O3'" . DC A 1 14 . 47.034 62.836 -30.939 1.00 51.34 ? "O3'" DC C 9 1 -ATOM 281 C "C2'" . DC A 1 14 . 45.014 63.518 -29.719 1.00 53.94 ? "C2'" DC C 9 1 -ATOM 282 C "C1'" . DC A 1 14 . 43.543 63.632 -30.101 1.00 55 ? "C1'" DC C 9 1 -ATOM 283 N N1 . DC A 1 14 . 42.749 62.473 -29.677 1.00 53.8 ? N1 DC C 9 1 -ATOM 284 C C2 . DC A 1 14 . 41.948 62.577 -28.531 1.00 55 ? C2 DC C 9 1 -ATOM 285 O O2 . DC A 1 14 . 41.933 63.659 -27.875 1.00 51.65 ? O2 DC C 9 1 -ATOM 286 N N3 . DC A 1 14 . 41.209 61.505 -28.160 1.00 55 ? N3 DC C 9 1 -ATOM 287 C C4 . DC A 1 14 . 41.251 60.373 -28.874 1.00 51.33 ? C4 DC C 9 1 -ATOM 288 N N4 . DC A 1 14 . 40.490 59.342 -28.467 1.00 50.82 ? N4 DC C 9 1 -ATOM 289 C C5 . DC A 1 14 . 42.063 60.246 -30.030 1.00 47.38 ? C5 DC C 9 1 -ATOM 290 C C6 . DC A 1 14 . 42.788 61.309 -30.393 1.00 50.58 ? C6 DC C 9 1 -ATOM 291 O "O5'" . DA B 2 1 . 47.624 63.612 -28.260 1.00 40.15 ? "O5'" DA D 10 1 -ATOM 292 C "C5'" . DA B 2 1 . 47.713 64.975 -27.773 1.00 41.23 ? "C5'" DA D 10 1 -ATOM 293 C "C4'" . DA B 2 1 . 46.511 65.414 -26.963 1.00 41.91 ? "C4'" DA D 10 1 -ATOM 294 O "O4'" . DA B 2 1 . 45.415 64.503 -27.278 1.00 34.07 ? "O4'" DA D 10 1 -ATOM 295 C "C3'" . DA B 2 1 . 46.730 65.371 -25.439 1.00 41.1 ? "C3'" DA D 10 1 -ATOM 296 O "O3'" . DA B 2 1 . 46.210 66.592 -24.792 1.00 47.1 ? "O3'" DA D 10 1 -ATOM 297 C "C2'" . DA B 2 1 . 45.982 64.101 -25.023 1.00 41.97 ? "C2'" DA D 10 1 -ATOM 298 C "C1'" . DA B 2 1 . 44.923 63.855 -26.101 1.00 38.41 ? "C1'" DA D 10 1 -ATOM 299 N N9 . DA B 2 1 . 44.675 62.435 -26.414 1.00 38.72 ? N9 DA D 10 1 -ATOM 300 C C8 . DA B 2 1 . 45.173 61.679 -27.472 1.00 40.02 ? C8 DA D 10 1 -ATOM 301 N N7 . DA B 2 1 . 44.754 60.422 -27.482 1.00 39.04 ? N7 DA D 10 1 -ATOM 302 C C5 . DA B 2 1 . 43.933 60.329 -26.356 1.00 40.81 ? C5 DA D 10 1 -ATOM 303 C C6 . DA B 2 1 . 43.157 59.246 -25.793 1.00 40.05 ? C6 DA D 10 1 -ATOM 304 N N6 . DA B 2 1 . 43.119 58.008 -26.271 1.00 40.66 ? N6 DA D 10 1 -ATOM 305 N N1 . DA B 2 1 . 42.421 59.506 -24.697 1.00 40.43 ? N1 DA D 10 1 -ATOM 306 C C2 . DA B 2 1 . 42.460 60.760 -24.175 1.00 41.52 ? C2 DA D 10 1 -ATOM 307 N N3 . DA B 2 1 . 43.150 61.851 -24.587 1.00 42.57 ? N3 DA D 10 1 -ATOM 308 C C4 . DA B 2 1 . 43.872 61.570 -25.689 1.00 42.7 ? C4 DA D 10 1 -ATOM 309 P P . DT B 2 2 . 46.893 67.211 -23.404 1.00 55 ? P DT D 11 1 -ATOM 310 O OP1 . DT B 2 2 . 46.017 68.337 -22.865 1.00 42.8 ? OP1 DT D 11 1 -ATOM 311 O OP2 . DT B 2 2 . 48.380 67.461 -23.583 1.00 51.84 ? OP2 DT D 11 1 -ATOM 312 O "O5'" . DT B 2 2 . 46.747 66.066 -22.299 1.00 53.94 ? "O5'" DT D 11 1 -ATOM 313 C "C5'" . DT B 2 2 . 45.460 65.552 -21.952 1.00 52.33 ? "C5'" DT D 11 1 -ATOM 314 C "C4'" . DT B 2 2 . 45.559 64.731 -20.697 1.00 44.09 ? "C4'" DT D 11 1 -ATOM 315 O "O4'" . DT B 2 2 . 45.421 63.329 -20.962 1.00 45.97 ? "O4'" DT D 11 1 -ATOM 316 C "C3'" . DT B 2 2 . 46.866 64.880 -19.959 1.00 46.39 ? "C3'" DT D 11 1 -ATOM 317 O "O3'" . DT B 2 2 . 46.407 64.961 -18.616 1.00 41.22 ? "O3'" DT D 11 1 -ATOM 318 C "C2'" . DT B 2 2 . 47.680 63.644 -20.388 1.00 40.78 ? "C2'" DT D 11 1 -ATOM 319 C "C1'" . DT B 2 2 . 46.633 62.582 -20.733 1.00 43.45 ? "C1'" DT D 11 1 -ATOM 320 N N1 . DT B 2 2 . 46.771 61.687 -21.943 1.00 38.73 ? N1 DT D 11 1 -ATOM 321 C C2 . DT B 2 2 . 45.775 60.732 -22.043 1.00 40.38 ? C2 DT D 11 1 -ATOM 322 O O2 . DT B 2 2 . 44.912 60.601 -21.210 1.00 45.18 ? O2 DT D 11 1 -ATOM 323 N N3 . DT B 2 2 . 45.812 59.921 -23.163 1.00 44.88 ? N3 DT D 11 1 -ATOM 324 C C4 . DT B 2 2 . 46.732 59.959 -24.189 1.00 48.9 ? C4 DT D 11 1 -ATOM 325 O O4 . DT B 2 2 . 46.609 59.153 -25.135 1.00 51.75 ? O4 DT D 11 1 -ATOM 326 C C5 . DT B 2 2 . 47.782 60.975 -24.031 1.00 50.82 ? C5 DT D 11 1 -ATOM 327 C C7 . DT B 2 2 . 48.832 61.097 -25.085 1.00 46.89 ? C7 DT D 11 1 -ATOM 328 C C6 . DT B 2 2 . 47.752 61.775 -22.920 1.00 48.86 ? C6 DT D 11 1 -ATOM 329 P P . DA B 2 3 . 47.427 65.166 -17.409 1.00 44.05 ? P DA D 12 1 -ATOM 330 O OP1 . DA B 2 3 . 46.773 66.296 -16.675 1.00 51.19 ? OP1 DA D 12 1 -ATOM 331 O OP2 . DA B 2 3 . 48.846 65.290 -17.819 1.00 39.32 ? OP2 DA D 12 1 -ATOM 332 O "O5'" . DA B 2 3 . 47.222 63.798 -16.631 1.00 41.66 ? "O5'" DA D 12 1 -ATOM 333 C "C5'" . DA B 2 3 . 45.897 63.395 -16.308 1.00 42.93 ? "C5'" DA D 12 1 -ATOM 334 C "C4'" . DA B 2 3 . 45.846 61.943 -15.907 1.00 40.3 ? "C4'" DA D 12 1 -ATOM 335 O "O4'" . DA B 2 3 . 46.015 61.104 -17.065 1.00 38.86 ? "O4'" DA D 12 1 -ATOM 336 C "C3'" . DA B 2 3 . 46.886 61.483 -14.878 1.00 36.09 ? "C3'" DA D 12 1 -ATOM 337 O "O3'" . DA B 2 3 . 46.159 60.565 -14.029 1.00 39.85 ? "O3'" DA D 12 1 -ATOM 338 C "C2'" . DA B 2 3 . 47.912 60.794 -15.755 1.00 29.38 ? "C2'" DA D 12 1 -ATOM 339 C "C1'" . DA B 2 3 . 46.982 60.146 -16.754 1.00 33.47 ? "C1'" DA D 12 1 -ATOM 340 N N9 . DA B 2 3 . 47.602 59.720 -17.989 1.00 37.85 ? N9 DA D 12 1 -ATOM 341 C C8 . DA B 2 3 . 48.522 60.341 -18.785 1.00 43.89 ? C8 DA D 12 1 -ATOM 342 N N7 . DA B 2 3 . 48.875 59.629 -19.823 1.00 41.94 ? N7 DA D 12 1 -ATOM 343 C C5 . DA B 2 3 . 48.122 58.462 -19.688 1.00 44.73 ? C5 DA D 12 1 -ATOM 344 C C6 . DA B 2 3 . 48.045 57.276 -20.442 1.00 50.44 ? C6 DA D 12 1 -ATOM 345 N N6 . DA B 2 3 . 48.771 57.045 -21.548 1.00 55 ? N6 DA D 12 1 -ATOM 346 N N1 . DA B 2 3 . 47.195 56.316 -20.021 1.00 43.24 ? N1 DA D 12 1 -ATOM 347 C C2 . DA B 2 3 . 46.503 56.525 -18.937 1.00 46.08 ? C2 DA D 12 1 -ATOM 348 N N3 . DA B 2 3 . 46.498 57.577 -18.141 1.00 48.18 ? N3 DA D 12 1 -ATOM 349 C C4 . DA B 2 3 . 47.339 58.519 -18.579 1.00 37.62 ? C4 DA D 12 1 -ATOM 350 P P . DT B 2 4 . 46.630 60.215 -12.517 1.00 37.63 ? P DT D 13 1 -ATOM 351 O OP1 . DT B 2 4 . 45.320 60.118 -11.796 1.00 40.97 ? OP1 DT D 13 1 -ATOM 352 O OP2 . DT B 2 4 . 47.701 61.144 -11.966 1.00 22.15 ? OP2 DT D 13 1 -ATOM 353 O "O5'" . DT B 2 4 . 47.057 58.681 -12.665 1.00 29.87 ? "O5'" DT D 13 1 -ATOM 354 C "C5'" . DT B 2 4 . 46.044 57.752 -13.089 1.00 23.04 ? "C5'" DT D 13 1 -ATOM 355 C "C4'" . DT B 2 4 . 46.589 56.352 -13.196 1.00 33.54 ? "C4'" DT D 13 1 -ATOM 356 O "O4'" . DT B 2 4 . 46.901 56.124 -14.582 1.00 27.11 ? "O4'" DT D 13 1 -ATOM 357 C "C3'" . DT B 2 4 . 47.851 56.097 -12.374 1.00 31.73 ? "C3'" DT D 13 1 -ATOM 358 O "O3'" . DT B 2 4 . 47.609 55.118 -11.307 1.00 32.77 ? "O3'" DT D 13 1 -ATOM 359 C "C2'" . DT B 2 4 . 48.917 55.748 -13.394 1.00 26.91 ? "C2'" DT D 13 1 -ATOM 360 C "C1'" . DT B 2 4 . 48.162 55.533 -14.709 1.00 37.09 ? "C1'" DT D 13 1 -ATOM 361 N N1 . DT B 2 4 . 48.866 56.080 -15.935 1.00 37.48 ? N1 DT D 13 1 -ATOM 362 C C2 . DT B 2 4 . 48.681 55.389 -17.089 1.00 36.31 ? C2 DT D 13 1 -ATOM 363 O O2 . DT B 2 4 . 47.917 54.437 -17.143 1.00 29.73 ? O2 DT D 13 1 -ATOM 364 N N3 . DT B 2 4 . 49.412 55.865 -18.187 1.00 39.84 ? N3 DT D 13 1 -ATOM 365 C C4 . DT B 2 4 . 50.278 56.982 -18.213 1.00 33.61 ? C4 DT D 13 1 -ATOM 366 O O4 . DT B 2 4 . 50.897 57.290 -19.284 1.00 29.75 ? O4 DT D 13 1 -ATOM 367 C C5 . DT B 2 4 . 50.371 57.686 -16.944 1.00 32.94 ? C5 DT D 13 1 -ATOM 368 C C7 . DT B 2 4 . 51.219 58.911 -16.841 1.00 30.73 ? C7 DT D 13 1 -ATOM 369 C C6 . DT B 2 4 . 49.678 57.204 -15.897 1.00 32.29 ? C6 DT D 13 1 -ATOM 370 P P . DG B 2 5 . 48.141 53.580 -11.406 1.00 34.52 ? P DG D 14 1 -ATOM 371 O OP1 . DG B 2 5 . 47.664 52.986 -10.144 1.00 43.03 ? OP1 DG D 14 1 -ATOM 372 O OP2 . DG B 2 5 . 49.567 53.367 -11.832 1.00 34.75 ? OP2 DG D 14 1 -ATOM 373 O "O5'" . DG B 2 5 . 47.186 52.961 -12.492 1.00 34.22 ? "O5'" DG D 14 1 -ATOM 374 C "C5'" . DG B 2 5 . 46.685 51.656 -12.361 1.00 20.6 ? "C5'" DG D 14 1 -ATOM 375 C "C4'" . DG B 2 5 . 47.259 50.790 -13.454 1.00 33.01 ? "C4'" DG D 14 1 -ATOM 376 O "O4'" . DG B 2 5 . 47.979 51.564 -14.462 1.00 35.41 ? "O4'" DG D 14 1 -ATOM 377 C "C3'" . DG B 2 5 . 48.234 49.764 -12.908 1.00 29.23 ? "C3'" DG D 14 1 -ATOM 378 O "O3'" . DG B 2 5 . 47.763 48.513 -13.393 1.00 35.76 ? "O3'" DG D 14 1 -ATOM 379 C "C2'" . DG B 2 5 . 49.564 50.178 -13.524 1.00 25.97 ? "C2'" DG D 14 1 -ATOM 380 C "C1'" . DG B 2 5 . 49.192 50.926 -14.789 1.00 28.17 ? "C1'" DG D 14 1 -ATOM 381 N N9 . DG B 2 5 . 50.184 51.952 -15.100 1.00 34.28 ? N9 DG D 14 1 -ATOM 382 C C8 . DG B 2 5 . 50.616 52.906 -14.226 1.00 34.34 ? C8 DG D 14 1 -ATOM 383 N N7 . DG B 2 5 . 51.520 53.693 -14.740 1.00 39.87 ? N7 DG D 14 1 -ATOM 384 C C5 . DG B 2 5 . 51.701 53.232 -16.042 1.00 35.52 ? C5 DG D 14 1 -ATOM 385 C C6 . DG B 2 5 . 52.591 53.677 -17.075 1.00 39.91 ? C6 DG D 14 1 -ATOM 386 O O6 . DG B 2 5 . 53.418 54.608 -17.053 1.00 55 ? O6 DG D 14 1 -ATOM 387 N N1 . DG B 2 5 . 52.481 52.928 -18.241 1.00 39.09 ? N1 DG D 14 1 -ATOM 388 C C2 . DG B 2 5 . 51.646 51.909 -18.417 1.00 44.38 ? C2 DG D 14 1 -ATOM 389 N N2 . DG B 2 5 . 51.727 51.366 -19.660 1.00 29.85 ? N2 DG D 14 1 -ATOM 390 N N3 . DG B 2 5 . 50.800 51.453 -17.458 1.00 45.72 ? N3 DG D 14 1 -ATOM 391 C C4 . DG B 2 5 . 50.888 52.170 -16.300 1.00 35.9 ? C4 DG D 14 1 -ATOM 392 P P . DT B 2 6 . 48.194 47.114 -12.700 1.00 35.88 ? P DT D 15 1 -ATOM 393 O OP1 . DT B 2 6 . 46.932 46.335 -12.890 1.00 37.64 ? OP1 DT D 15 1 -ATOM 394 O OP2 . DT B 2 6 . 48.824 47.131 -11.354 1.00 25.79 ? OP2 DT D 15 1 -ATOM 395 O "O5'" . DT B 2 6 . 49.325 46.567 -13.699 1.00 32.23 ? "O5'" DT D 15 1 -ATOM 396 C "C5'" . DT B 2 6 . 49.189 46.644 -15.134 1.00 31.46 ? "C5'" DT D 15 1 -ATOM 397 C "C4'" . DT B 2 6 . 50.328 45.904 -15.799 1.00 34.61 ? "C4'" DT D 15 1 -ATOM 398 O "O4'" . DT B 2 6 . 51.295 46.824 -16.398 1.00 25.68 ? "O4'" DT D 15 1 -ATOM 399 C "C3'" . DT B 2 6 . 51.103 45.072 -14.788 1.00 31.64 ? "C3'" DT D 15 1 -ATOM 400 O "O3'" . DT B 2 6 . 51.522 43.854 -15.422 1.00 40.68 ? "O3'" DT D 15 1 -ATOM 401 C "C2'" . DT B 2 6 . 52.257 45.992 -14.432 1.00 32.75 ? "C2'" DT D 15 1 -ATOM 402 C "C1'" . DT B 2 6 . 52.526 46.775 -15.722 1.00 28.85 ? "C1'" DT D 15 1 -ATOM 403 N N1 . DT B 2 6 . 53.037 48.171 -15.524 1.00 30.96 ? N1 DT D 15 1 -ATOM 404 C C2 . DT B 2 6 . 53.943 48.681 -16.421 1.00 32.87 ? C2 DT D 15 1 -ATOM 405 O O2 . DT B 2 6 . 54.319 48.061 -17.399 1.00 35.12 ? O2 DT D 15 1 -ATOM 406 N N3 . DT B 2 6 . 54.391 49.968 -16.132 1.00 30.06 ? N3 DT D 15 1 -ATOM 407 C C4 . DT B 2 6 . 54.000 50.779 -15.053 1.00 34.39 ? C4 DT D 15 1 -ATOM 408 O O4 . DT B 2 6 . 54.480 51.930 -14.885 1.00 32.34 ? O4 DT D 15 1 -ATOM 409 C C5 . DT B 2 6 . 53.046 50.202 -14.198 1.00 29.25 ? C5 DT D 15 1 -ATOM 410 C C7 . DT B 2 6 . 52.557 51.028 -13.072 1.00 23.55 ? C7 DT D 15 1 -ATOM 411 C C6 . DT B 2 6 . 52.619 48.941 -14.450 1.00 36.88 ? C6 DT D 15 1 -ATOM 412 P P . DC B 2 7 . 51.886 42.548 -14.537 1.00 47.56 ? P DC D 16 1 -ATOM 413 O OP1 . DC B 2 7 . 50.930 41.546 -15.049 1.00 52.01 ? OP1 DC D 16 1 -ATOM 414 O OP2 . DC B 2 7 . 51.911 42.850 -13.066 1.00 39.57 ? OP2 DC D 16 1 -ATOM 415 O "O5'" . DC B 2 7 . 53.354 42.173 -15.069 1.00 43.85 ? "O5'" DC D 16 1 -ATOM 416 C "C5'" . DC B 2 7 . 53.968 43.038 -16.048 1.00 45.5 ? "C5'" DC D 16 1 -ATOM 417 C "C4'" . DC B 2 7 . 55.329 42.566 -16.521 1.00 41.4 ? "C4'" DC D 16 1 -ATOM 418 O "O4'" . DC B 2 7 . 55.842 43.779 -17.142 1.00 40.11 ? "O4'" DC D 16 1 -ATOM 419 C "C3'" . DC B 2 7 . 56.379 42.159 -15.469 1.00 42.83 ? "C3'" DC D 16 1 -ATOM 420 O "O3'" . DC B 2 7 . 56.617 40.705 -15.443 1.00 50.5 ? "O3'" DC D 16 1 -ATOM 421 C "C2'" . DC B 2 7 . 57.626 42.945 -15.872 1.00 43.83 ? "C2'" DC D 16 1 -ATOM 422 C "C1'" . DC B 2 7 . 57.063 44.199 -16.542 1.00 43.62 ? "C1'" DC D 16 1 -ATOM 423 N N1 . DC B 2 7 . 56.781 45.377 -15.651 1.00 48.11 ? N1 DC D 16 1 -ATOM 424 C C2 . DC B 2 7 . 56.961 46.695 -16.157 1.00 49.75 ? C2 DC D 16 1 -ATOM 425 O O2 . DC B 2 7 . 57.343 46.843 -17.334 1.00 52.85 ? O2 DC D 16 1 -ATOM 426 N N3 . DC B 2 7 . 56.705 47.765 -15.344 1.00 47.43 ? N3 DC D 16 1 -ATOM 427 C C4 . DC B 2 7 . 56.288 47.569 -14.094 1.00 47.79 ? C4 DC D 16 1 -ATOM 428 N N4 . DC B 2 7 . 56.049 48.633 -13.353 1.00 48.62 ? N4 DC D 16 1 -ATOM 429 C C5 . DC B 2 7 . 56.097 46.262 -13.551 1.00 48.58 ? C5 DC D 16 1 -ATOM 430 C C6 . DC B 2 7 . 56.351 45.207 -14.352 1.00 47.19 ? C6 DC D 16 1 -ATOM 431 P P . DA B 2 8 . 57.265 39.990 -14.116 1.00 50.88 ? P DA D 17 1 -ATOM 432 O OP1 . DA B 2 8 . 57.140 38.503 -14.120 1.00 52.42 ? OP1 DA D 17 1 -ATOM 433 O OP2 . DA B 2 8 . 56.800 40.755 -12.911 1.00 53.33 ? OP2 DA D 17 1 -ATOM 434 O "O5'" . DA B 2 8 . 58.823 40.250 -14.254 1.00 47.97 ? "O5'" DA D 17 1 -ATOM 435 C "C5'" . DA B 2 8 . 59.486 40.108 -15.506 1.00 50.6 ? "C5'" DA D 17 1 -ATOM 436 C "C4'" . DA B 2 8 . 60.971 40.244 -15.279 1.00 54.94 ? "C4'" DA D 17 1 -ATOM 437 O "O4'" . DA B 2 8 . 61.309 41.644 -15.121 1.00 53.71 ? "O4'" DA D 17 1 -ATOM 438 C "C3'" . DA B 2 8 . 61.360 39.544 -13.981 1.00 51.07 ? "C3'" DA D 17 1 -ATOM 439 O "O3'" . DA B 2 8 . 62.073 38.361 -14.358 1.00 55 ? "O3'" DA D 17 1 -ATOM 440 C "C2'" . DA B 2 8 . 62.175 40.569 -13.204 1.00 47.55 ? "C2'" DA D 17 1 -ATOM 441 C "C1'" . DA B 2 8 . 61.807 41.915 -13.816 1.00 50.35 ? "C1'" DA D 17 1 -ATOM 442 N N9 . DA B 2 8 . 60.813 42.765 -13.133 1.00 53.31 ? N9 DA D 17 1 -ATOM 443 C C8 . DA B 2 8 . 59.602 42.451 -12.564 1.00 51.71 ? C8 DA D 17 1 -ATOM 444 N N7 . DA B 2 8 . 58.974 43.490 -12.051 1.00 48.2 ? N7 DA D 17 1 -ATOM 445 C C5 . DA B 2 8 . 59.828 44.558 -12.296 1.00 49.79 ? C5 DA D 17 1 -ATOM 446 C C6 . DA B 2 8 . 59.745 45.973 -12.026 1.00 48.14 ? C6 DA D 17 1 -ATOM 447 N N6 . DA B 2 8 . 58.717 46.617 -11.406 1.00 53.16 ? N6 DA D 17 1 -ATOM 448 N N1 . DA B 2 8 . 60.784 46.730 -12.432 1.00 50.75 ? N1 DA D 17 1 -ATOM 449 C C2 . DA B 2 8 . 61.818 46.140 -13.058 1.00 55 ? C2 DA D 17 1 -ATOM 450 N N3 . DA B 2 8 . 62.003 44.864 -13.366 1.00 55 ? N3 DA D 17 1 -ATOM 451 C C4 . DA B 2 8 . 60.967 44.120 -12.956 1.00 53.56 ? C4 DA D 17 1 -ATOM 452 P P . DC B 2 9 . 62.881 37.531 -13.257 1.00 55 ? P DC D 18 1 -ATOM 453 O OP1 . DC B 2 9 . 63.806 36.569 -13.918 1.00 55 ? OP1 DC D 18 1 -ATOM 454 O OP2 . DC B 2 9 . 61.792 37.023 -12.363 1.00 55 ? OP2 DC D 18 1 -ATOM 455 O "O5'" . DC B 2 9 . 63.725 38.668 -12.481 1.00 55 ? "O5'" DC D 18 1 -ATOM 456 C "C5'" . DC B 2 9 . 64.720 39.484 -13.160 1.00 55 ? "C5'" DC D 18 1 -ATOM 457 C "C4'" . DC B 2 9 . 65.301 40.571 -12.257 1.00 55 ? "C4'" DC D 18 1 -ATOM 458 O "O4'" . DC B 2 9 . 64.345 41.579 -11.831 1.00 55 ? "O4'" DC D 18 1 -ATOM 459 C "C3'" . DC B 2 9 . 66.076 40.169 -10.994 1.00 55 ? "C3'" DC D 18 1 -ATOM 460 O "O3'" . DC B 2 9 . 67.376 40.771 -11.129 1.00 55 ? "O3'" DC D 18 1 -ATOM 461 C "C2'" . DC B 2 9 . 65.303 40.845 -9.857 1.00 51.99 ? "C2'" DC D 18 1 -ATOM 462 C "C1'" . DC B 2 9 . 64.743 42.076 -10.550 1.00 55 ? "C1'" DC D 18 1 -ATOM 463 N N1 . DC B 2 9 . 63.562 42.707 -9.910 1.00 55 ? N1 DC D 18 1 -ATOM 464 C C2 . DC B 2 9 . 63.568 44.106 -9.608 1.00 51.8 ? C2 DC D 18 1 -ATOM 465 O O2 . DC B 2 9 . 64.563 44.800 -9.870 1.00 52.18 ? O2 DC D 18 1 -ATOM 466 N N3 . DC B 2 9 . 62.487 44.665 -9.035 1.00 49.03 ? N3 DC D 18 1 -ATOM 467 C C4 . DC B 2 9 . 61.425 43.911 -8.750 1.00 55 ? C4 DC D 18 1 -ATOM 468 N N4 . DC B 2 9 . 60.380 44.507 -8.169 1.00 55 ? N4 DC D 18 1 -ATOM 469 C C5 . DC B 2 9 . 61.388 42.509 -9.043 1.00 54.12 ? C5 DC D 18 1 -ATOM 470 C C6 . DC B 2 9 . 62.465 41.955 -9.613 1.00 53.62 ? C6 DC D 18 1 -ATOM 471 P P . DA B 2 10 . 68.687 40.114 -10.431 1.00 55 ? P DA D 19 1 -ATOM 472 O OP1 . DA B 2 10 . 69.500 39.617 -11.583 1.00 55 ? OP1 DA D 19 1 -ATOM 473 O OP2 . DA B 2 10 . 68.295 39.146 -9.339 1.00 55 ? OP2 DA D 19 1 -ATOM 474 O "O5'" . DA B 2 10 . 69.436 41.395 -9.753 1.00 55 ? "O5'" DA D 19 1 -ATOM 475 C "C5'" . DA B 2 10 . 70.018 42.508 -10.539 1.00 55 ? "C5'" DA D 19 1 -ATOM 476 C "C4'" . DA B 2 10 . 70.291 43.743 -9.682 1.00 51.18 ? "C4'" DA D 19 1 -ATOM 477 O "O4'" . DA B 2 10 . 69.052 44.281 -9.155 1.00 50.47 ? "O4'" DA D 19 1 -ATOM 478 C "C3'" . DA B 2 10 . 71.180 43.592 -8.442 1.00 53.79 ? "C3'" DA D 19 1 -ATOM 479 O "O3'" . DA B 2 10 . 71.855 44.860 -8.195 1.00 50.52 ? "O3'" DA D 19 1 -ATOM 480 C "C2'" . DA B 2 10 . 70.168 43.222 -7.356 1.00 45.35 ? "C2'" DA D 19 1 -ATOM 481 C "C1'" . DA B 2 10 . 68.963 44.086 -7.718 1.00 47.95 ? "C1'" DA D 19 1 -ATOM 482 N N9 . DA B 2 10 . 67.600 43.579 -7.403 1.00 47.99 ? N9 DA D 19 1 -ATOM 483 C C8 . DA B 2 10 . 67.112 42.280 -7.331 1.00 43.37 ? C8 DA D 19 1 -ATOM 484 N N7 . DA B 2 10 . 65.819 42.211 -7.053 1.00 42.86 ? N7 DA D 19 1 -ATOM 485 C C5 . DA B 2 10 . 65.434 43.543 -6.932 1.00 46.5 ? C5 DA D 19 1 -ATOM 486 C C6 . DA B 2 10 . 64.194 44.152 -6.688 1.00 43.94 ? C6 DA D 19 1 -ATOM 487 N N6 . DA B 2 10 . 63.060 43.485 -6.494 1.00 46 ? N6 DA D 19 1 -ATOM 488 N N1 . DA B 2 10 . 64.149 45.503 -6.651 1.00 47.67 ? N1 DA D 19 1 -ATOM 489 C C2 . DA B 2 10 . 65.282 46.199 -6.845 1.00 46.77 ? C2 DA D 19 1 -ATOM 490 N N3 . DA B 2 10 . 66.496 45.750 -7.088 1.00 55 ? N3 DA D 19 1 -ATOM 491 C C4 . DA B 2 10 . 66.513 44.396 -7.127 1.00 51 ? C4 DA D 19 1 -ATOM 492 P P . DC B 2 11 . 71.782 45.583 -6.725 1.00 55 ? P DC D 20 1 -ATOM 493 O OP1 . DC B 2 11 . 72.849 46.633 -6.709 1.00 50.91 ? OP1 DC D 20 1 -ATOM 494 O OP2 . DC B 2 11 . 71.733 44.569 -5.607 1.00 54.46 ? OP2 DC D 20 1 -ATOM 495 O "O5'" . DC B 2 11 . 70.374 46.362 -6.683 1.00 54.73 ? "O5'" DC D 20 1 -ATOM 496 C "C5'" . DC B 2 11 . 70.238 47.710 -7.197 1.00 54.18 ? "C5'" DC D 20 1 -ATOM 497 C "C4'" . DC B 2 11 . 69.470 48.622 -6.247 1.00 55 ? "C4'" DC D 20 1 -ATOM 498 O "O4'" . DC B 2 11 . 68.151 48.087 -5.925 1.00 55 ? "O4'" DC D 20 1 -ATOM 499 C "C3'" . DC B 2 11 . 70.163 48.947 -4.917 1.00 55 ? "C3'" DC D 20 1 -ATOM 500 O "O3'" . DC B 2 11 . 70.024 50.339 -4.587 1.00 55 ? "O3'" DC D 20 1 -ATOM 501 C "C2'" . DC B 2 11 . 69.410 48.117 -3.899 1.00 55 ? "C2'" DC D 20 1 -ATOM 502 C "C1'" . DC B 2 11 . 68.015 47.916 -4.509 1.00 55 ? "C1'" DC D 20 1 -ATOM 503 N N1 . DC B 2 11 . 67.541 46.535 -4.230 1.00 55 ? N1 DC D 20 1 -ATOM 504 C C2 . DC B 2 11 . 66.580 46.357 -3.257 1.00 54.91 ? C2 DC D 20 1 -ATOM 505 O O2 . DC B 2 11 . 66.142 47.354 -2.675 1.00 54.11 ? O2 DC D 20 1 -ATOM 506 N N3 . DC B 2 11 . 66.146 45.093 -2.962 1.00 53.87 ? N3 DC D 20 1 -ATOM 507 C C4 . DC B 2 11 . 66.654 44.033 -3.611 1.00 52.79 ? C4 DC D 20 1 -ATOM 508 N N4 . DC B 2 11 . 66.201 42.805 -3.284 1.00 46.47 ? N4 DC D 20 1 -ATOM 509 C C5 . DC B 2 11 . 67.639 44.185 -4.619 1.00 53.77 ? C5 DC D 20 1 -ATOM 510 C C6 . DC B 2 11 . 68.050 45.443 -4.900 1.00 55 ? C6 DC D 20 1 -ATOM 511 P P . DT B 2 12 . 71.349 51.237 -4.340 1.00 55 ? P DT D 21 1 -ATOM 512 O OP1 . DT B 2 12 . 71.080 52.675 -4.656 1.00 55 ? OP1 DT D 21 1 -ATOM 513 O OP2 . DT B 2 12 . 72.436 50.523 -5.060 1.00 55 ? OP2 DT D 21 1 -ATOM 514 O "O5'" . DT B 2 12 . 71.581 51.181 -2.754 1.00 55 ? "O5'" DT D 21 1 -ATOM 515 C "C5'" . DT B 2 12 . 70.648 50.509 -1.877 1.00 55 ? "C5'" DT D 21 1 -ATOM 516 C "C4'" . DT B 2 12 . 69.353 51.288 -1.725 1.00 53.47 ? "C4'" DT D 21 1 -ATOM 517 O "O4'" . DT B 2 12 . 68.269 50.356 -1.985 1.00 45.29 ? "O4'" DT D 21 1 -ATOM 518 C "C3'" . DT B 2 12 . 69.132 51.821 -0.294 1.00 50.57 ? "C3'" DT D 21 1 -ATOM 519 O "O3'" . DT B 2 12 . 68.418 53.056 -0.162 1.00 48.03 ? "O3'" DT D 21 1 -ATOM 520 C "C2'" . DT B 2 12 . 68.217 50.815 0.360 1.00 44.89 ? "C2'" DT D 21 1 -ATOM 521 C "C1'" . DT B 2 12 . 67.470 50.164 -0.793 1.00 52.73 ? "C1'" DT D 21 1 -ATOM 522 N N1 . DT B 2 12 . 67.497 48.771 -0.422 1.00 51.45 ? N1 DT D 21 1 -ATOM 523 C C2 . DT B 2 12 . 66.672 48.363 0.611 1.00 54.31 ? C2 DT D 21 1 -ATOM 524 O O2 . DT B 2 12 . 65.925 49.113 1.192 1.00 52.35 ? O2 DT D 21 1 -ATOM 525 N N3 . DT B 2 12 . 66.763 47.051 0.943 1.00 53.29 ? N3 DT D 21 1 -ATOM 526 C C4 . DT B 2 12 . 67.578 46.118 0.362 1.00 55 ? C4 DT D 21 1 -ATOM 527 O O4 . DT B 2 12 . 67.545 44.972 0.776 1.00 52.9 ? O4 DT D 21 1 -ATOM 528 C C5 . DT B 2 12 . 68.436 46.620 -0.742 1.00 55 ? C5 DT D 21 1 -ATOM 529 C C7 . DT B 2 12 . 69.384 45.692 -1.451 1.00 55 ? C7 DT D 21 1 -ATOM 530 C C6 . DT B 2 12 . 68.333 47.908 -1.067 1.00 55 ? C6 DT D 21 1 -ATOM 531 P P . DT B 2 13 . 68.253 53.679 1.316 1.00 49.59 ? P DT D 22 1 -ATOM 532 O OP1 . DT B 2 13 . 68.957 54.996 1.229 1.00 53.2 ? OP1 DT D 22 1 -ATOM 533 O OP2 . DT B 2 13 . 68.737 52.641 2.294 1.00 52.51 ? OP2 DT D 22 1 -ATOM 534 O "O5'" . DT B 2 13 . 66.702 53.944 1.661 1.00 45.11 ? "O5'" DT D 22 1 -ATOM 535 C "C5'" . DT B 2 13 . 65.685 52.982 1.408 1.00 43.34 ? "C5'" DT D 22 1 -ATOM 536 C "C4'" . DT B 2 13 . 65.109 52.358 2.669 1.00 37.37 ? "C4'" DT D 22 1 -ATOM 537 O "O4'" . DT B 2 13 . 65.516 50.978 2.621 1.00 47.19 ? "O4'" DT D 22 1 -ATOM 538 C "C3'" . DT B 2 13 . 65.387 52.816 4.118 1.00 36.43 ? "C3'" DT D 22 1 -ATOM 539 O "O3'" . DT B 2 13 . 64.163 52.776 4.859 1.00 28.16 ? "O3'" DT D 22 1 -ATOM 540 C "C2'" . DT B 2 13 . 66.218 51.675 4.691 1.00 41.19 ? "C2'" DT D 22 1 -ATOM 541 C "C1'" . DT B 2 13 . 65.635 50.506 3.941 1.00 46.69 ? "C1'" DT D 22 1 -ATOM 542 N N1 . DT B 2 13 . 66.456 49.288 3.912 1.00 47.59 ? N1 DT D 22 1 -ATOM 543 C C2 . DT B 2 13 . 65.896 48.140 4.438 1.00 45.6 ? C2 DT D 22 1 -ATOM 544 O O2 . DT B 2 13 . 64.774 48.110 4.905 1.00 41.73 ? O2 DT D 22 1 -ATOM 545 N N3 . DT B 2 13 . 66.697 47.032 4.397 1.00 41.54 ? N3 DT D 22 1 -ATOM 546 C C4 . DT B 2 13 . 67.978 46.954 3.893 1.00 44.41 ? C4 DT D 22 1 -ATOM 547 O O4 . DT B 2 13 . 68.587 45.869 3.937 1.00 37.35 ? O4 DT D 22 1 -ATOM 548 C C5 . DT B 2 13 . 68.506 48.214 3.342 1.00 49.96 ? C5 DT D 22 1 -ATOM 549 C C7 . DT B 2 13 . 69.886 48.243 2.759 1.00 44.67 ? C7 DT D 22 1 -ATOM 550 C C6 . DT B 2 13 . 67.723 49.298 3.384 1.00 46.06 ? C6 DT D 22 1 -ATOM 551 P P . DT B 2 14 . 64.136 53.102 6.438 1.00 30.14 ? P DT D 23 1 -ATOM 552 O OP1 . DT B 2 14 . 63.002 53.996 6.721 1.00 33.73 ? OP1 DT D 23 1 -ATOM 553 O OP2 . DT B 2 14 . 65.479 53.374 7.043 1.00 26.43 ? OP2 DT D 23 1 -ATOM 554 O "O5'" . DT B 2 14 . 63.574 51.803 7.119 1.00 32.66 ? "O5'" DT D 23 1 -ATOM 555 C "C5'" . DT B 2 14 . 62.265 51.408 6.852 1.00 27.71 ? "C5'" DT D 23 1 -ATOM 556 C "C4'" . DT B 2 14 . 62.073 50.019 7.381 1.00 29.7 ? "C4'" DT D 23 1 -ATOM 557 O "O4'" . DT B 2 14 . 63.121 49.183 6.843 1.00 27.87 ? "O4'" DT D 23 1 -ATOM 558 C "C3'" . DT B 2 14 . 62.231 49.961 8.896 1.00 29.01 ? "C3'" DT D 23 1 -ATOM 559 O "O3'" . DT B 2 14 . 61.095 49.263 9.374 1.00 28.89 ? "O3'" DT D 23 1 -ATOM 560 C "C2'" . DT B 2 14 . 63.515 49.178 9.113 1.00 25.76 ? "C2'" DT D 23 1 -ATOM 561 C "C1'" . DT B 2 14 . 63.553 48.330 7.869 1.00 28.79 ? "C1'" DT D 23 1 -ATOM 562 N N1 . DT B 2 14 . 64.885 47.842 7.529 1.00 23.69 ? N1 DT D 23 1 -ATOM 563 C C2 . DT B 2 14 . 65.082 46.487 7.441 1.00 25.02 ? C2 DT D 23 1 -ATOM 564 O O2 . DT B 2 14 . 64.187 45.652 7.618 1.00 21.8 ? O2 DT D 23 1 -ATOM 565 N N3 . DT B 2 14 . 66.342 46.121 7.152 1.00 13.78 ? N3 DT D 23 1 -ATOM 566 C C4 . DT B 2 14 . 67.397 46.933 6.966 1.00 25.71 ? C4 DT D 23 1 -ATOM 567 O O4 . DT B 2 14 . 68.498 46.449 6.756 1.00 21.25 ? O4 DT D 23 1 -ATOM 568 C C5 . DT B 2 14 . 67.123 48.343 7.050 1.00 29.34 ? C5 DT D 23 1 -ATOM 569 C C7 . DT B 2 14 . 68.238 49.322 6.829 1.00 27.25 ? C7 DT D 23 1 -ATOM 570 C C6 . DT B 2 14 . 65.889 48.719 7.324 1.00 27.44 ? C6 DT D 23 1 -ATOM 571 P P . DT B 2 15 . 60.906 48.976 10.950 1.00 45.19 ? P DT D 24 1 -ATOM 572 O OP1 . DT B 2 15 . 59.441 49.265 11.231 1.00 39.14 ? OP1 DT D 24 1 -ATOM 573 O OP2 . DT B 2 15 . 61.973 49.682 11.755 1.00 35.46 ? OP2 DT D 24 1 -ATOM 574 O "O5'" . DT B 2 15 . 61.155 47.400 11.043 1.00 41.5 ? "O5'" DT D 24 1 -ATOM 575 C "C5'" . DT B 2 15 . 60.261 46.509 10.396 1.00 47.88 ? "C5'" DT D 24 1 -ATOM 576 C "C4'" . DT B 2 15 . 60.825 45.111 10.372 1.00 47.86 ? "C4'" DT D 24 1 -ATOM 577 O "O4'" . DT B 2 15 . 62.109 45.167 9.716 1.00 52.37 ? "O4'" DT D 24 1 -ATOM 578 C "C3'" . DT B 2 15 . 61.119 44.541 11.751 1.00 46.21 ? "C3'" DT D 24 1 -ATOM 579 O "O3'" . DT B 2 15 . 59.989 43.851 12.280 1.00 40.45 ? "O3'" DT D 24 1 -ATOM 580 C "C2'" . DT B 2 15 . 62.247 43.566 11.481 1.00 48.38 ? "C2'" DT D 24 1 -ATOM 581 C "C1'" . DT B 2 15 . 62.933 44.136 10.258 1.00 48.35 ? "C1'" DT D 24 1 -ATOM 582 N N1 . DT B 2 15 . 64.276 44.682 10.479 1.00 44.35 ? N1 DT D 24 1 -ATOM 583 C C2 . DT B 2 15 . 65.343 43.799 10.361 1.00 46.14 ? C2 DT D 24 1 -ATOM 584 O O2 . DT B 2 15 . 65.233 42.588 10.132 1.00 43.07 ? O2 DT D 24 1 -ATOM 585 N N3 . DT B 2 15 . 66.555 44.381 10.526 1.00 49.95 ? N3 DT D 24 1 -ATOM 586 C C4 . DT B 2 15 . 66.807 45.733 10.814 1.00 42.83 ? C4 DT D 24 1 -ATOM 587 O O4 . DT B 2 15 . 67.958 46.144 10.939 1.00 37.01 ? O4 DT D 24 1 -ATOM 588 C C5 . DT B 2 15 . 65.681 46.569 10.948 1.00 50.44 ? C5 DT D 24 1 -ATOM 589 C C7 . DT B 2 15 . 65.917 48.008 11.275 1.00 46.54 ? C7 DT D 24 1 -ATOM 590 C C6 . DT B 2 15 . 64.472 46.018 10.774 1.00 55 ? C6 DT D 24 1 -ATOM 591 P P . DC B 2 16 . 59.823 43.757 13.862 1.00 45.23 ? P DC D 25 1 -ATOM 592 O OP1 . DC B 2 16 . 58.552 43.027 14.152 1.00 51.17 ? OP1 DC D 25 1 -ATOM 593 O OP2 . DC B 2 16 . 60.052 45.094 14.466 1.00 55 ? OP2 DC D 25 1 -ATOM 594 O "O5'" . DC B 2 16 . 61.082 42.915 14.316 1.00 43.4 ? "O5'" DC D 25 1 -ATOM 595 C "C5'" . DC B 2 16 . 61.259 41.597 13.863 1.00 44.9 ? "C5'" DC D 25 1 -ATOM 596 C "C4'" . DC B 2 16 . 62.596 41.073 14.327 1.00 48.98 ? "C4'" DC D 25 1 -ATOM 597 O "O4'" . DC B 2 16 . 63.644 41.993 13.944 1.00 49.36 ? "O4'" DC D 25 1 -ATOM 598 C "C3'" . DC B 2 16 . 62.752 40.851 15.838 1.00 55 ? "C3'" DC D 25 1 -ATOM 599 O "O3'" . DC B 2 16 . 63.248 39.495 16.003 1.00 55 ? "O3'" DC D 25 1 -ATOM 600 C "C2'" . DC B 2 16 . 63.778 41.910 16.252 1.00 49 ? "C2'" DC D 25 1 -ATOM 601 C "C1'" . DC B 2 16 . 64.600 42.047 14.978 1.00 48.81 ? "C1'" DC D 25 1 -ATOM 602 N N1 . DC B 2 16 . 65.363 43.291 14.797 1.00 48.4 ? N1 DC D 25 1 -ATOM 603 C C2 . DC B 2 16 . 66.620 43.227 14.136 1.00 46.96 ? C2 DC D 25 1 -ATOM 604 O O2 . DC B 2 16 . 67.067 42.118 13.721 1.00 41.01 ? O2 DC D 25 1 -ATOM 605 N N3 . DC B 2 16 . 67.318 44.357 13.966 1.00 45.61 ? N3 DC D 25 1 -ATOM 606 C C4 . DC B 2 16 . 66.806 45.518 14.418 1.00 45.62 ? C4 DC D 25 1 -ATOM 607 N N4 . DC B 2 16 . 67.531 46.619 14.210 1.00 40.43 ? N4 DC D 25 1 -ATOM 608 C C5 . DC B 2 16 . 65.551 45.599 15.087 1.00 45.76 ? C5 DC D 25 1 -ATOM 609 C C6 . DC B 2 16 . 64.873 44.484 15.253 1.00 42.16 ? C6 DC D 25 1 -ATOM 610 P P . DG B 2 17 . 62.654 38.505 17.163 1.00 49.77 ? P DG D 26 1 -ATOM 611 O OP1 . DG B 2 17 . 61.433 37.732 16.764 1.00 52.71 ? OP1 DG D 26 1 -ATOM 612 O OP2 . DG B 2 17 . 62.610 39.303 18.437 1.00 55 ? OP2 DG D 26 1 -ATOM 613 O "O5'" . DG B 2 17 . 63.794 37.398 17.153 1.00 47.44 ? "O5'" DG D 26 1 -ATOM 614 C "C5'" . DG B 2 17 . 64.187 36.792 15.925 1.00 42.09 ? "C5'" DG D 26 1 -ATOM 615 C "C4'" . DG B 2 17 . 65.614 36.362 16.046 1.00 43.6 ? "C4'" DG D 26 1 -ATOM 616 O "O4'" . DG B 2 17 . 66.473 37.546 16.005 1.00 51.4 ? "O4'" DG D 26 1 -ATOM 617 C "C3'" . DG B 2 17 . 65.827 35.763 17.424 1.00 43.5 ? "C3'" DG D 26 1 -ATOM 618 O "O3'" . DG B 2 17 . 66.828 34.741 17.320 1.00 52.09 ? "O3'" DG D 26 1 -ATOM 619 C "C2'" . DG B 2 17 . 66.255 36.976 18.265 1.00 47.87 ? "C2'" DG D 26 1 -ATOM 620 C "C1'" . DG B 2 17 . 67.109 37.773 17.286 1.00 48.54 ? "C1'" DG D 26 1 -ATOM 621 N N9 . DG B 2 17 . 67.250 39.228 17.427 1.00 38.12 ? N9 DG D 26 1 -ATOM 622 C C8 . DG B 2 17 . 66.246 40.140 17.640 1.00 43.8 ? C8 DG D 26 1 -ATOM 623 N N7 . DG B 2 17 . 66.661 41.380 17.642 1.00 36.92 ? N7 DG D 26 1 -ATOM 624 C C5 . DG B 2 17 . 68.033 41.284 17.435 1.00 41.01 ? C5 DG D 26 1 -ATOM 625 C C6 . DG B 2 17 . 69.063 42.328 17.270 1.00 44.75 ? C6 DG D 26 1 -ATOM 626 O O6 . DG B 2 17 . 68.950 43.573 17.314 1.00 47.53 ? O6 DG D 26 1 -ATOM 627 N N1 . DG B 2 17 . 70.312 41.778 17.032 1.00 43.5 ? N1 DG D 26 1 -ATOM 628 C C2 . DG B 2 17 . 70.570 40.445 16.958 1.00 42.91 ? C2 DG D 26 1 -ATOM 629 N N2 . DG B 2 17 . 71.853 40.155 16.729 1.00 53.81 ? N2 DG D 26 1 -ATOM 630 N N3 . DG B 2 17 . 69.652 39.471 17.097 1.00 35.37 ? N3 DG D 26 1 -ATOM 631 C C4 . DG B 2 17 . 68.418 39.958 17.325 1.00 36.11 ? C4 DG D 26 1 -ATOM 632 O "O5'" . DG C 1 1 . 76.815 50.937 20.413 1.00 52.03 ? "O5'" DG E 27 1 -ATOM 633 C "C5'" . DG C 1 1 . 76.054 50.947 19.139 1.00 53.94 ? "C5'" DG E 27 1 -ATOM 634 C "C4'" . DG C 1 1 . 75.889 49.574 18.513 1.00 51.38 ? "C4'" DG E 27 1 -ATOM 635 O "O4'" . DG C 1 1 . 74.911 48.814 19.274 1.00 46.86 ? "O4'" DG E 27 1 -ATOM 636 C "C3'" . DG C 1 1 . 75.394 49.567 17.056 1.00 51.37 ? "C3'" DG E 27 1 -ATOM 637 O "O3'" . DG C 1 1 . 75.926 48.411 16.350 1.00 50.51 ? "O3'" DG E 27 1 -ATOM 638 C "C2'" . DG C 1 1 . 73.899 49.383 17.243 1.00 43.52 ? "C2'" DG E 27 1 -ATOM 639 C "C1'" . DG C 1 1 . 73.922 48.381 18.380 1.00 44.32 ? "C1'" DG E 27 1 -ATOM 640 N N9 . DG C 1 1 . 72.671 48.258 19.097 1.00 45.59 ? N9 DG E 27 1 -ATOM 641 C C8 . DG C 1 1 . 71.886 49.247 19.620 1.00 44.53 ? C8 DG E 27 1 -ATOM 642 N N7 . DG C 1 1 . 70.800 48.789 20.181 1.00 42.86 ? N7 DG E 27 1 -ATOM 643 C C5 . DG C 1 1 . 70.888 47.416 20.018 1.00 44.9 ? C5 DG E 27 1 -ATOM 644 C C6 . DG C 1 1 . 69.997 46.398 20.364 1.00 40.74 ? C6 DG E 27 1 -ATOM 645 O O6 . DG C 1 1 . 68.912 46.488 20.927 1.00 37.4 ? O6 DG E 27 1 -ATOM 646 N N1 . DG C 1 1 . 70.472 45.144 19.975 1.00 48.9 ? N1 DG E 27 1 -ATOM 647 C C2 . DG C 1 1 . 71.645 44.910 19.330 1.00 43.29 ? C2 DG E 27 1 -ATOM 648 N N2 . DG C 1 1 . 71.934 43.644 19.044 1.00 46.92 ? N2 DG E 27 1 -ATOM 649 N N3 . DG C 1 1 . 72.481 45.855 18.991 1.00 48.53 ? N3 DG E 27 1 -ATOM 650 C C4 . DG C 1 1 . 72.041 47.079 19.362 1.00 48.5 ? C4 DG E 27 1 -ATOM 651 P P . DC C 1 2 . 77.243 48.546 15.372 1.00 55 ? P DC E 26 1 -ATOM 652 O OP1 . DC C 1 2 . 78.447 49.313 15.988 1.00 49.85 ? OP1 DC E 26 1 -ATOM 653 O OP2 . DC C 1 2 . 76.668 48.997 14.044 1.00 51.68 ? OP2 DC E 26 1 -ATOM 654 O "O5'" . DC C 1 2 . 77.710 47.015 15.131 1.00 55 ? "O5'" DC E 26 1 -ATOM 655 C "C5'" . DC C 1 2 . 77.827 46.054 16.232 1.00 55 ? "C5'" DC E 26 1 -ATOM 656 C "C4'" . DC C 1 2 . 77.505 44.639 15.778 1.00 51.81 ? "C4'" DC E 26 1 -ATOM 657 O "O4'" . DC C 1 2 . 76.285 44.147 16.368 1.00 51.44 ? "O4'" DC E 26 1 -ATOM 658 C "C3'" . DC C 1 2 . 77.301 44.546 14.290 1.00 49.35 ? "C3'" DC E 26 1 -ATOM 659 O "O3'" . DC C 1 2 . 78.538 44.108 13.821 1.00 54.36 ? "O3'" DC E 26 1 -ATOM 660 C "C2'" . DC C 1 2 . 76.171 43.547 14.091 1.00 48.19 ? "C2'" DC E 26 1 -ATOM 661 C "C1'" . DC C 1 2 . 75.409 43.551 15.403 1.00 49.02 ? "C1'" DC E 26 1 -ATOM 662 N N1 . DC C 1 2 . 74.121 44.276 15.515 1.00 51.88 ? N1 DC E 26 1 -ATOM 663 C C2 . DC C 1 2 . 73.000 43.598 16.103 1.00 53.04 ? C2 DC E 26 1 -ATOM 664 O O2 . DC C 1 2 . 73.110 42.407 16.459 1.00 47.84 ? O2 DC E 26 1 -ATOM 665 N N3 . DC C 1 2 . 71.828 44.278 16.261 1.00 52.98 ? N3 DC E 26 1 -ATOM 666 C C4 . DC C 1 2 . 71.730 45.558 15.859 1.00 51.67 ? C4 DC E 26 1 -ATOM 667 N N4 . DC C 1 2 . 70.567 46.165 16.047 1.00 43.98 ? N4 DC E 26 1 -ATOM 668 C C5 . DC C 1 2 . 72.830 46.257 15.249 1.00 49.23 ? C5 DC E 26 1 -ATOM 669 C C6 . DC C 1 2 . 73.993 45.583 15.094 1.00 50.39 ? C6 DC E 26 1 -ATOM 670 P P . DG C 1 3 . 79.173 44.843 12.573 1.00 55 ? P DG E 25 1 -ATOM 671 O OP1 . DG C 1 3 . 80.584 44.328 12.444 1.00 55 ? OP1 DG E 25 1 -ATOM 672 O OP2 . DG C 1 3 . 78.966 46.306 12.897 1.00 55 ? OP2 DG E 25 1 -ATOM 673 O "O5'" . DG C 1 3 . 78.196 44.364 11.359 1.00 55 ? "O5'" DG E 25 1 -ATOM 674 C "C5'" . DG C 1 3 . 78.478 43.209 10.495 1.00 52.26 ? "C5'" DG E 25 1 -ATOM 675 C "C4'" . DG C 1 3 . 77.452 42.082 10.656 1.00 54.91 ? "C4'" DG E 25 1 -ATOM 676 O "O4'" . DG C 1 3 . 76.352 42.332 11.592 1.00 52.47 ? "O4'" DG E 25 1 -ATOM 677 C "C3'" . DG C 1 3 . 76.787 41.631 9.357 1.00 52.97 ? "C3'" DG E 25 1 -ATOM 678 O "O3'" . DG C 1 3 . 76.872 40.204 9.195 1.00 55 ? "O3'" DG E 25 1 -ATOM 679 C "C2'" . DG C 1 3 . 75.325 42.029 9.526 1.00 46.88 ? "C2'" DG E 25 1 -ATOM 680 C "C1'" . DG C 1 3 . 75.059 42.062 11.019 1.00 45.56 ? "C1'" DG E 25 1 -ATOM 681 N N9 . DG C 1 3 . 74.155 43.181 11.354 1.00 49.9 ? N9 DG E 25 1 -ATOM 682 C C8 . DG C 1 3 . 74.374 44.512 10.982 1.00 48.23 ? C8 DG E 25 1 -ATOM 683 N N7 . DG C 1 3 . 73.428 45.341 11.395 1.00 54.11 ? N7 DG E 25 1 -ATOM 684 C C5 . DG C 1 3 . 72.508 44.523 12.092 1.00 53.48 ? C5 DG E 25 1 -ATOM 685 C C6 . DG C 1 3 . 71.237 44.842 12.755 1.00 51.42 ? C6 DG E 25 1 -ATOM 686 O O6 . DG C 1 3 . 70.631 45.910 12.948 1.00 54.79 ? O6 DG E 25 1 -ATOM 687 N N1 . DG C 1 3 . 70.590 43.717 13.342 1.00 51.03 ? N1 DG E 25 1 -ATOM 688 C C2 . DG C 1 3 . 71.130 42.430 13.246 1.00 48.33 ? C2 DG E 25 1 -ATOM 689 N N2 . DG C 1 3 . 70.361 41.479 13.843 1.00 51.08 ? N2 DG E 25 1 -ATOM 690 N N3 . DG C 1 3 . 72.305 42.100 12.630 1.00 55 ? N3 DG E 25 1 -ATOM 691 C C4 . DG C 1 3 . 72.933 43.175 12.079 1.00 55 ? C4 DG E 25 1 -ATOM 692 P P . DA C 1 4 . 75.959 39.437 8.054 1.00 55 ? P DA E 24 1 -ATOM 693 O OP1 . DA C 1 4 . 76.876 38.575 7.240 1.00 55 ? OP1 DA E 24 1 -ATOM 694 O OP2 . DA C 1 4 . 74.999 40.347 7.343 1.00 55 ? OP2 DA E 24 1 -ATOM 695 O "O5'" . DA C 1 4 . 74.998 38.491 8.907 1.00 55 ? "O5'" DA E 24 1 -ATOM 696 C "C5'" . DA C 1 4 . 74.545 37.267 8.371 1.00 49.21 ? "C5'" DA E 24 1 -ATOM 697 C "C4'" . DA C 1 4 . 73.080 37.354 8.023 1.00 53.41 ? "C4'" DA E 24 1 -ATOM 698 O "O4'" . DA C 1 4 . 72.543 38.610 8.503 1.00 55 ? "O4'" DA E 24 1 -ATOM 699 C "C3'" . DA C 1 4 . 72.777 37.314 6.525 1.00 53.84 ? "C3'" DA E 24 1 -ATOM 700 O "O3'" . DA C 1 4 . 72.005 36.138 6.223 1.00 55 ? "O3'" DA E 24 1 -ATOM 701 C "C2'" . DA C 1 4 . 71.991 38.601 6.269 1.00 51.21 ? "C2'" DA E 24 1 -ATOM 702 C "C1'" . DA C 1 4 . 71.495 39.001 7.641 1.00 53.09 ? "C1'" DA E 24 1 -ATOM 703 N N9 . DA C 1 4 . 71.258 40.434 7.851 1.00 51.31 ? N9 DA E 24 1 -ATOM 704 C C8 . DA C 1 4 . 71.943 41.479 7.286 1.00 50.95 ? C8 DA E 24 1 -ATOM 705 N N7 . DA C 1 4 . 71.514 42.663 7.669 1.00 50.11 ? N7 DA E 24 1 -ATOM 706 C C5 . DA C 1 4 . 70.476 42.382 8.549 1.00 49.64 ? C5 DA E 24 1 -ATOM 707 C C6 . DA C 1 4 . 69.595 43.218 9.293 1.00 46.44 ? C6 DA E 24 1 -ATOM 708 N N6 . DA C 1 4 . 69.656 44.541 9.291 1.00 45.03 ? N6 DA E 24 1 -ATOM 709 N N1 . DA C 1 4 . 68.649 42.627 10.048 1.00 45.59 ? N1 DA E 24 1 -ATOM 710 C C2 . DA C 1 4 . 68.590 41.290 10.062 1.00 47.74 ? C2 DA E 24 1 -ATOM 711 N N3 . DA C 1 4 . 69.356 40.395 9.419 1.00 50.88 ? N3 DA E 24 1 -ATOM 712 C C4 . DA C 1 4 . 70.296 41.013 8.669 1.00 52.45 ? C4 DA E 24 1 -ATOM 713 P P . DA C 1 5 . 71.714 35.715 4.677 1.00 54.54 ? P DA E 23 1 -ATOM 714 O OP1 . DA C 1 5 . 72.718 34.754 4.100 1.00 49.35 ? OP1 DA E 23 1 -ATOM 715 O OP2 . DA C 1 5 . 71.403 36.956 3.919 1.00 55 ? OP2 DA E 23 1 -ATOM 716 O "O5'" . DA C 1 5 . 70.316 34.963 4.838 1.00 55 ? "O5'" DA E 23 1 -ATOM 717 C "C5'" . DA C 1 5 . 69.127 35.548 4.284 1.00 55 ? "C5'" DA E 23 1 -ATOM 718 C "C4'" . DA C 1 5 . 68.169 35.984 5.370 1.00 55 ? "C4'" DA E 23 1 -ATOM 719 O "O4'" . DA C 1 5 . 68.656 37.171 6.062 1.00 55 ? "O4'" DA E 23 1 -ATOM 720 C "C3'" . DA C 1 5 . 66.821 36.393 4.764 1.00 55 ? "C3'" DA E 23 1 -ATOM 721 O "O3'" . DA C 1 5 . 65.731 36.062 5.641 1.00 53.81 ? "O3'" DA E 23 1 -ATOM 722 C "C2'" . DA C 1 5 . 66.940 37.894 4.704 1.00 51.47 ? "C2'" DA E 23 1 -ATOM 723 C "C1'" . DA C 1 5 . 67.585 38.100 6.055 1.00 55 ? "C1'" DA E 23 1 -ATOM 724 N N9 . DA C 1 5 . 68.118 39.441 6.145 1.00 52.72 ? N9 DA E 23 1 -ATOM 725 C C8 . DA C 1 5 . 69.365 39.874 5.813 1.00 54.03 ? C8 DA E 23 1 -ATOM 726 N N7 . DA C 1 5 . 69.536 41.161 5.982 1.00 53.57 ? N7 DA E 23 1 -ATOM 727 C C5 . DA C 1 5 . 68.306 41.601 6.463 1.00 54.44 ? C5 DA E 23 1 -ATOM 728 C C6 . DA C 1 5 . 67.842 42.879 6.823 1.00 53.98 ? C6 DA E 23 1 -ATOM 729 N N6 . DA C 1 5 . 68.618 43.955 6.763 1.00 45.51 ? N6 DA E 23 1 -ATOM 730 N N1 . DA C 1 5 . 66.557 43.000 7.249 1.00 53.5 ? N1 DA E 23 1 -ATOM 731 C C2 . DA C 1 5 . 65.801 41.870 7.314 1.00 50.02 ? C2 DA E 23 1 -ATOM 732 N N3 . DA C 1 5 . 66.139 40.608 7.005 1.00 47.55 ? N3 DA E 23 1 -ATOM 733 C C4 . DA C 1 5 . 67.423 40.547 6.576 1.00 51.14 ? C4 DA E 23 1 -ATOM 734 P P . DA C 1 6 . 64.302 35.689 5.007 1.00 53.92 ? P DA E 22 1 -ATOM 735 O OP1 . DA C 1 6 . 63.736 34.474 5.679 1.00 49.17 ? OP1 DA E 22 1 -ATOM 736 O OP2 . DA C 1 6 . 64.476 35.720 3.504 1.00 51.84 ? OP2 DA E 22 1 -ATOM 737 O "O5'" . DA C 1 6 . 63.365 36.935 5.359 1.00 55 ? "O5'" DA E 22 1 -ATOM 738 C "C5'" . DA C 1 6 . 63.127 37.367 6.715 1.00 46.95 ? "C5'" DA E 22 1 -ATOM 739 C "C4'" . DA C 1 6 . 62.418 38.710 6.735 1.00 45.04 ? "C4'" DA E 22 1 -ATOM 740 O "O4'" . DA C 1 6 . 63.347 39.798 6.439 1.00 47.43 ? "O4'" DA E 22 1 -ATOM 741 C "C3'" . DA C 1 6 . 61.279 38.817 5.729 1.00 38.46 ? "C3'" DA E 22 1 -ATOM 742 O "O3'" . DA C 1 6 . 60.065 39.212 6.372 1.00 38.57 ? "O3'" DA E 22 1 -ATOM 743 C "C2'" . DA C 1 6 . 61.767 39.813 4.677 1.00 47.54 ? "C2'" DA E 22 1 -ATOM 744 C "C1'" . DA C 1 6 . 62.889 40.611 5.347 1.00 47.32 ? "C1'" DA E 22 1 -ATOM 745 N N9 . DA C 1 6 . 64.064 40.975 4.511 1.00 44.09 ? N9 DA E 22 1 -ATOM 746 C C8 . DA C 1 6 . 64.814 40.206 3.639 1.00 43.81 ? C8 DA E 22 1 -ATOM 747 N N7 . DA C 1 6 . 65.809 40.852 3.078 1.00 34.03 ? N7 DA E 22 1 -ATOM 748 C C5 . DA C 1 6 . 65.714 42.126 3.599 1.00 35.7 ? C5 DA E 22 1 -ATOM 749 C C6 . DA C 1 6 . 66.490 43.303 3.408 1.00 42.53 ? C6 DA E 22 1 -ATOM 750 N N6 . DA C 1 6 . 67.561 43.378 2.626 1.00 31.47 ? N6 DA E 22 1 -ATOM 751 N N1 . DA C 1 6 . 66.115 44.416 4.078 1.00 45.66 ? N1 DA E 22 1 -ATOM 752 C C2 . DA C 1 6 . 65.041 44.339 4.896 1.00 49.43 ? C2 DA E 22 1 -ATOM 753 N N3 . DA C 1 6 . 64.248 43.300 5.167 1.00 41.35 ? N3 DA E 22 1 -ATOM 754 C C4 . DA C 1 6 . 64.640 42.221 4.480 1.00 42.45 ? C4 DA E 22 1 -ATOM 755 P P . DA C 1 7 . 58.670 39.179 5.549 1.00 44.62 ? P DA E 21 1 -ATOM 756 O OP1 . DA C 1 7 . 57.556 38.836 6.486 1.00 32.06 ? OP1 DA E 21 1 -ATOM 757 O OP2 . DA C 1 7 . 58.857 38.382 4.286 1.00 46.37 ? OP2 DA E 21 1 -ATOM 758 O "O5'" . DA C 1 7 . 58.475 40.712 5.107 1.00 42.28 ? "O5'" DA E 21 1 -ATOM 759 C "C5'" . DA C 1 7 . 59.597 41.523 4.708 1.00 38.93 ? "C5'" DA E 21 1 -ATOM 760 C "C4'" . DA C 1 7 . 59.318 42.993 4.955 1.00 41.83 ? "C4'" DA E 21 1 -ATOM 761 O "O4'" . DA C 1 7 . 60.555 43.697 4.734 1.00 32.73 ? "O4'" DA E 21 1 -ATOM 762 C "C3'" . DA C 1 7 . 58.295 43.629 3.997 1.00 41.75 ? "C3'" DA E 21 1 -ATOM 763 O "O3'" . DA C 1 7 . 57.548 44.734 4.575 1.00 39.58 ? "O3'" DA E 21 1 -ATOM 764 C "C2'" . DA C 1 7 . 59.157 44.133 2.869 1.00 39.3 ? "C2'" DA E 21 1 -ATOM 765 C "C1'" . DA C 1 7 . 60.468 44.469 3.546 1.00 39.63 ? "C1'" DA E 21 1 -ATOM 766 N N9 . DA C 1 7 . 61.565 44.068 2.695 1.00 38.52 ? N9 DA E 21 1 -ATOM 767 C C8 . DA C 1 7 . 61.926 42.789 2.346 1.00 38.92 ? C8 DA E 21 1 -ATOM 768 N N7 . DA C 1 7 . 62.978 42.730 1.564 1.00 43.3 ? N7 DA E 21 1 -ATOM 769 C C5 . DA C 1 7 . 63.326 44.063 1.383 1.00 38.01 ? C5 DA E 21 1 -ATOM 770 C C6 . DA C 1 7 . 64.335 44.671 0.640 1.00 38.24 ? C6 DA E 21 1 -ATOM 771 N N6 . DA C 1 7 . 65.220 43.983 -0.069 1.00 37.92 ? N6 DA E 21 1 -ATOM 772 N N1 . DA C 1 7 . 64.398 46.027 0.648 1.00 37.53 ? N1 DA E 21 1 -ATOM 773 C C2 . DA C 1 7 . 63.490 46.703 1.367 1.00 42.33 ? C2 DA E 21 1 -ATOM 774 N N3 . DA C 1 7 . 62.477 46.234 2.116 1.00 41.43 ? N3 DA E 21 1 -ATOM 775 C C4 . DA C 1 7 . 62.456 44.894 2.077 1.00 41.22 ? C4 DA E 21 1 -ATOM 776 P P . DG C 1 8 . 56.496 45.563 3.651 1.00 35.88 ? P DG E 20 1 -ATOM 777 O OP1 . DG C 1 8 . 55.614 46.437 4.478 1.00 31.43 ? OP1 DG E 20 1 -ATOM 778 O OP2 . DG C 1 8 . 55.882 44.663 2.625 1.00 35.43 ? OP2 DG E 20 1 -ATOM 779 O "O5'" . DG C 1 8 . 57.478 46.525 2.901 1.00 29.98 ? "O5'" DG E 20 1 -ATOM 780 C "C5'" . DG C 1 8 . 58.003 47.636 3.583 1.00 34.54 ? "C5'" DG E 20 1 -ATOM 781 C "C4'" . DG C 1 8 . 58.814 48.442 2.615 1.00 33.02 ? "C4'" DG E 20 1 -ATOM 782 O "O4'" . DG C 1 8 . 59.779 47.534 2.041 1.00 34.59 ? "O4'" DG E 20 1 -ATOM 783 C "C3'" . DG C 1 8 . 58.001 48.962 1.445 1.00 28.18 ? "C3'" DG E 20 1 -ATOM 784 O "O3'" . DG C 1 8 . 58.368 50.304 1.267 1.00 31.84 ? "O3'" DG E 20 1 -ATOM 785 C "C2'" . DG C 1 8 . 58.427 48.090 0.274 1.00 24.01 ? "C2'" DG E 20 1 -ATOM 786 C "C1'" . DG C 1 8 . 59.843 47.766 0.673 1.00 33.7 ? "C1'" DG E 20 1 -ATOM 787 N N9 . DG C 1 8 . 60.511 46.625 0.038 1.00 39.7 ? N9 DG E 20 1 -ATOM 788 C C8 . DG C 1 8 . 60.160 45.310 0.064 1.00 41.86 ? C8 DG E 20 1 -ATOM 789 N N7 . DG C 1 8 . 60.971 44.562 -0.622 1.00 40.21 ? N7 DG E 20 1 -ATOM 790 C C5 . DG C 1 8 . 61.912 45.439 -1.129 1.00 39.46 ? C5 DG E 20 1 -ATOM 791 C C6 . DG C 1 8 . 63.023 45.219 -1.978 1.00 42.77 ? C6 DG E 20 1 -ATOM 792 O O6 . DG C 1 8 . 63.435 44.136 -2.462 1.00 48.02 ? O6 DG E 20 1 -ATOM 793 N N1 . DG C 1 8 . 63.694 46.413 -2.267 1.00 47.66 ? N1 DG E 20 1 -ATOM 794 C C2 . DG C 1 8 . 63.346 47.647 -1.798 1.00 43.49 ? C2 DG E 20 1 -ATOM 795 N N2 . DG C 1 8 . 64.090 48.708 -2.155 1.00 41.39 ? N2 DG E 20 1 -ATOM 796 N N3 . DG C 1 8 . 62.322 47.846 -1.018 1.00 51.55 ? N3 DG E 20 1 -ATOM 797 C C4 . DG C 1 8 . 61.650 46.708 -0.727 1.00 43.3 ? C4 DG E 20 1 -ATOM 798 P P . DT C 1 9 . 57.518 51.213 0.287 1.00 37.34 ? P DT E 19 1 -ATOM 799 O OP1 . DT C 1 9 . 57.389 52.564 0.903 1.00 34.68 ? OP1 DT E 19 1 -ATOM 800 O OP2 . DT C 1 9 . 56.285 50.421 -0.010 1.00 32.52 ? OP2 DT E 19 1 -ATOM 801 O "O5'" . DT C 1 9 . 58.517 51.354 -0.946 1.00 35.58 ? "O5'" DT E 19 1 -ATOM 802 C "C5'" . DT C 1 9 . 59.918 51.272 -0.690 1.00 37.61 ? "C5'" DT E 19 1 -ATOM 803 C "C4'" . DT C 1 9 . 60.731 51.616 -1.914 1.00 36.56 ? "C4'" DT E 19 1 -ATOM 804 O "O4'" . DT C 1 9 . 61.488 50.495 -2.457 1.00 36.16 ? "O4'" DT E 19 1 -ATOM 805 C "C3'" . DT C 1 9 . 59.941 52.190 -3.054 1.00 31.27 ? "C3'" DT E 19 1 -ATOM 806 O "O3'" . DT C 1 9 . 60.782 53.199 -3.511 1.00 35.91 ? "O3'" DT E 19 1 -ATOM 807 C "C2'" . DT C 1 9 . 59.875 51.040 -4.044 1.00 32.28 ? "C2'" DT E 19 1 -ATOM 808 C "C1'" . DT C 1 9 . 61.204 50.309 -3.831 1.00 34.74 ? "C1'" DT E 19 1 -ATOM 809 N N1 . DT C 1 9 . 61.139 48.823 -4.108 1.00 39.24 ? N1 DT E 19 1 -ATOM 810 C C2 . DT C 1 9 . 62.056 48.231 -4.969 1.00 39.34 ? C2 DT E 19 1 -ATOM 811 O O2 . DT C 1 9 . 62.968 48.836 -5.511 1.00 33.32 ? O2 DT E 19 1 -ATOM 812 N N3 . DT C 1 9 . 61.864 46.875 -5.172 1.00 39.91 ? N3 DT E 19 1 -ATOM 813 C C4 . DT C 1 9 . 60.905 46.074 -4.622 1.00 37.4 ? C4 DT E 19 1 -ATOM 814 O O4 . DT C 1 9 . 60.866 44.887 -4.925 1.00 38.1 ? O4 DT E 19 1 -ATOM 815 C C5 . DT C 1 9 . 59.999 46.742 -3.713 1.00 35.96 ? C5 DT E 19 1 -ATOM 816 C C7 . DT C 1 9 . 58.931 45.956 -3.036 1.00 41.93 ? C7 DT E 19 1 -ATOM 817 C C6 . DT C 1 9 . 60.158 48.058 -3.510 1.00 34.58 ? C6 DT E 19 1 -ATOM 818 P P . DG C 1 10 . 60.270 54.206 -4.605 1.00 42.65 ? P DG E 18 1 -ATOM 819 O OP1 . DG C 1 10 . 60.467 55.571 -4.029 1.00 41.97 ? OP1 DG E 18 1 -ATOM 820 O OP2 . DG C 1 10 . 58.901 53.746 -4.944 1.00 47.76 ? OP2 DG E 18 1 -ATOM 821 O "O5'" . DG C 1 10 . 61.246 53.943 -5.856 1.00 38.01 ? "O5'" DG E 18 1 -ATOM 822 C "C5'" . DG C 1 10 . 62.638 54.190 -5.723 1.00 38.48 ? "C5'" DG E 18 1 -ATOM 823 C "C4'" . DG C 1 10 . 63.356 54.187 -7.058 1.00 46.55 ? "C4'" DG E 18 1 -ATOM 824 O "O4'" . DG C 1 10 . 63.450 52.866 -7.644 1.00 48.23 ? "O4'" DG E 18 1 -ATOM 825 C "C3'" . DG C 1 10 . 62.878 55.078 -8.196 1.00 45.63 ? "C3'" DG E 18 1 -ATOM 826 O "O3'" . DG C 1 10 . 64.092 55.339 -8.943 1.00 50.8 ? "O3'" DG E 18 1 -ATOM 827 C "C2'" . DG C 1 10 . 61.938 54.136 -8.937 1.00 49.45 ? "C2'" DG E 18 1 -ATOM 828 C "C1'" . DG C 1 10 . 62.673 52.795 -8.845 1.00 48.5 ? "C1'" DG E 18 1 -ATOM 829 N N9 . DG C 1 10 . 61.814 51.654 -8.633 1.00 44.58 ? N9 DG E 18 1 -ATOM 830 C C8 . DG C 1 10 . 60.501 51.661 -8.245 1.00 46.93 ? C8 DG E 18 1 -ATOM 831 N N7 . DG C 1 10 . 60.013 50.466 -8.078 1.00 48.45 ? N7 DG E 18 1 -ATOM 832 C C5 . DG C 1 10 . 61.073 49.631 -8.385 1.00 42.07 ? C5 DG E 18 1 -ATOM 833 C C6 . DG C 1 10 . 61.136 48.247 -8.372 1.00 44.13 ? C6 DG E 18 1 -ATOM 834 O O6 . DG C 1 10 . 60.232 47.444 -8.068 1.00 52.69 ? O6 DG E 18 1 -ATOM 835 N N1 . DG C 1 10 . 62.394 47.786 -8.759 1.00 44.83 ? N1 DG E 18 1 -ATOM 836 C C2 . DG C 1 10 . 63.453 48.598 -9.117 1.00 45.97 ? C2 DG E 18 1 -ATOM 837 N N2 . DG C 1 10 . 64.607 47.959 -9.477 1.00 51.61 ? N2 DG E 18 1 -ATOM 838 N N3 . DG C 1 10 . 63.390 49.917 -9.125 1.00 40.76 ? N3 DG E 18 1 -ATOM 839 C C4 . DG C 1 10 . 62.179 50.356 -8.746 1.00 39.81 ? C4 DG E 18 1 -ATOM 840 P P . DT C 1 11 . 64.052 55.714 -10.514 1.00 47.33 ? P DT E 17 1 -ATOM 841 O OP1 . DT C 1 11 . 65.460 55.897 -10.979 1.00 48.13 ? OP1 DT E 17 1 -ATOM 842 O OP2 . DT C 1 11 . 63.021 56.776 -10.740 1.00 44.36 ? OP2 DT E 17 1 -ATOM 843 O "O5'" . DT C 1 11 . 63.540 54.442 -11.307 1.00 48.33 ? "O5'" DT E 17 1 -ATOM 844 C "C5'" . DT C 1 11 . 63.404 54.526 -12.733 1.00 50.22 ? "C5'" DT E 17 1 -ATOM 845 C "C4'" . DT C 1 11 . 64.334 53.542 -13.396 1.00 46.62 ? "C4'" DT E 17 1 -ATOM 846 O "O4'" . DT C 1 11 . 64.194 52.341 -12.610 1.00 45.1 ? "O4'" DT E 17 1 -ATOM 847 C "C3'" . DT C 1 11 . 64.002 53.192 -14.862 1.00 49.85 ? "C3'" DT E 17 1 -ATOM 848 O "O3'" . DT C 1 11 . 65.184 53.012 -15.661 1.00 52.17 ? "O3'" DT E 17 1 -ATOM 849 C "C2'" . DT C 1 11 . 63.278 51.860 -14.784 1.00 45.71 ? "C2'" DT E 17 1 -ATOM 850 C "C1'" . DT C 1 11 . 63.541 51.335 -13.356 1.00 47.17 ? "C1'" DT E 17 1 -ATOM 851 N N1 . DT C 1 11 . 62.264 50.996 -12.698 1.00 47.14 ? N1 DT E 17 1 -ATOM 852 C C2 . DT C 1 11 . 62.100 49.681 -12.303 1.00 51.28 ? C2 DT E 17 1 -ATOM 853 O O2 . DT C 1 11 . 63.003 48.825 -12.412 1.00 48.33 ? O2 DT E 17 1 -ATOM 854 N N3 . DT C 1 11 . 60.846 49.399 -11.771 1.00 43.49 ? N3 DT E 17 1 -ATOM 855 C C4 . DT C 1 11 . 59.774 50.291 -11.592 1.00 46.51 ? C4 DT E 17 1 -ATOM 856 O O4 . DT C 1 11 . 58.658 49.863 -11.140 1.00 39.29 ? O4 DT E 17 1 -ATOM 857 C C5 . DT C 1 11 . 60.068 51.671 -11.981 1.00 42.35 ? C5 DT E 17 1 -ATOM 858 C C7 . DT C 1 11 . 59.032 52.728 -11.773 1.00 44.19 ? C7 DT E 17 1 -ATOM 859 C C6 . DT C 1 11 . 61.268 51.940 -12.510 1.00 40.37 ? C6 DT E 17 1 -ATOM 860 P P . DG C 1 12 . 66.107 54.281 -16.042 1.00 55 ? P DG E 16 1 -ATOM 861 O OP1 . DG C 1 12 . 67.342 53.808 -16.739 1.00 53.75 ? OP1 DG E 16 1 -ATOM 862 O OP2 . DG C 1 12 . 66.211 55.250 -14.921 1.00 48.58 ? OP2 DG E 16 1 -ATOM 863 O "O5'" . DG C 1 12 . 65.200 55.084 -17.037 1.00 49.31 ? "O5'" DG E 16 1 -ATOM 864 C "C5'" . DG C 1 12 . 63.824 54.899 -16.964 1.00 46.94 ? "C5'" DG E 16 1 -ATOM 865 C "C4'" . DG C 1 12 . 63.473 53.775 -17.889 1.00 47.78 ? "C4'" DG E 16 1 -ATOM 866 O "O4'" . DG C 1 12 . 62.696 52.796 -17.186 1.00 46.1 ? "O4'" DG E 16 1 -ATOM 867 C "C3'" . DG C 1 12 . 62.662 54.272 -19.081 1.00 47.58 ? "C3'" DG E 16 1 -ATOM 868 O "O3'" . DG C 1 12 . 63.271 53.787 -20.284 1.00 51.79 ? "O3'" DG E 16 1 -ATOM 869 C "C2'" . DG C 1 12 . 61.261 53.740 -18.844 1.00 38.47 ? "C2'" DG E 16 1 -ATOM 870 C "C1'" . DG C 1 12 . 61.452 52.636 -17.824 1.00 45.43 ? "C1'" DG E 16 1 -ATOM 871 N N9 . DG C 1 12 . 60.446 52.622 -16.785 1.00 42.31 ? N9 DG E 16 1 -ATOM 872 C C8 . DG C 1 12 . 59.905 53.658 -16.070 1.00 40.73 ? C8 DG E 16 1 -ATOM 873 N N7 . DG C 1 12 . 59.002 53.254 -15.207 1.00 48.69 ? N7 DG E 16 1 -ATOM 874 C C5 . DG C 1 12 . 58.967 51.862 -15.384 1.00 49.32 ? C5 DG E 16 1 -ATOM 875 C C6 . DG C 1 12 . 58.199 50.811 -14.717 1.00 48.44 ? C6 DG E 16 1 -ATOM 876 O O6 . DG C 1 12 . 57.352 50.905 -13.824 1.00 55 ? O6 DG E 16 1 -ATOM 877 N N1 . DG C 1 12 . 58.528 49.552 -15.211 1.00 42.76 ? N1 DG E 16 1 -ATOM 878 C C2 . DG C 1 12 . 59.468 49.308 -16.187 1.00 45.9 ? C2 DG E 16 1 -ATOM 879 N N2 . DG C 1 12 . 59.707 47.991 -16.545 1.00 48.7 ? N2 DG E 16 1 -ATOM 880 N N3 . DG C 1 12 . 60.156 50.259 -16.794 1.00 44.2 ? N3 DG E 16 1 -ATOM 881 C C4 . DG C 1 12 . 59.858 51.484 -16.350 1.00 46.58 ? C4 DG E 16 1 -ATOM 882 P P . DA C 1 13 . 63.219 54.667 -21.630 1.00 48.78 ? P DA E 15 1 -ATOM 883 O OP1 . DA C 1 13 . 64.491 54.334 -22.319 1.00 49.49 ? OP1 DA E 15 1 -ATOM 884 O OP2 . DA C 1 13 . 62.900 56.072 -21.368 1.00 47.04 ? OP2 DA E 15 1 -ATOM 885 O "O5'" . DA C 1 13 . 62.003 53.956 -22.388 1.00 50.35 ? "O5'" DA E 15 1 -ATOM 886 C "C5'" . DA C 1 13 . 62.193 52.587 -22.847 1.00 55 ? "C5'" DA E 15 1 -ATOM 887 C "C4'" . DA C 1 13 . 60.884 51.882 -23.146 1.00 54.07 ? "C4'" DA E 15 1 -ATOM 888 O "O4'" . DA C 1 13 . 60.057 51.856 -21.951 1.00 55 ? "O4'" DA E 15 1 -ATOM 889 C "C3'" . DA C 1 13 . 60.030 52.506 -24.249 1.00 55 ? "C3'" DA E 15 1 -ATOM 890 O "O3'" . DA C 1 13 . 59.366 51.441 -24.985 1.00 54.15 ? "O3'" DA E 15 1 -ATOM 891 C "C2'" . DA C 1 13 . 59.060 53.372 -23.439 1.00 55 ? "C2'" DA E 15 1 -ATOM 892 C "C1'" . DA C 1 13 . 58.828 52.537 -22.177 1.00 55 ? "C1'" DA E 15 1 -ATOM 893 N N9 . DA C 1 13 . 58.442 53.214 -20.916 1.00 55 ? N9 DA E 15 1 -ATOM 894 C C8 . DA C 1 13 . 58.819 54.415 -20.354 1.00 55 ? C8 DA E 15 1 -ATOM 895 N N7 . DA C 1 13 . 58.245 54.659 -19.183 1.00 55 ? N7 DA E 15 1 -ATOM 896 C C5 . DA C 1 13 . 57.441 53.549 -18.966 1.00 55 ? C5 DA E 15 1 -ATOM 897 C C6 . DA C 1 13 . 56.567 53.166 -17.897 1.00 55 ? C6 DA E 15 1 -ATOM 898 N N6 . DA C 1 13 . 56.336 53.876 -16.772 1.00 55 ? N6 DA E 15 1 -ATOM 899 N N1 . DA C 1 13 . 55.919 51.984 -18.024 1.00 51.06 ? N1 DA E 15 1 -ATOM 900 C C2 . DA C 1 13 . 56.134 51.243 -19.125 1.00 52.9 ? C2 DA E 15 1 -ATOM 901 N N3 . DA C 1 13 . 56.918 51.484 -20.170 1.00 54.93 ? N3 DA E 15 1 -ATOM 902 C C4 . DA C 1 13 . 57.548 52.658 -20.028 1.00 55 ? C4 DA E 15 1 -ATOM 903 P P . DC C 1 14 . 59.195 51.524 -26.604 1.00 55 ? P DC E 14 1 -ATOM 904 O OP1 . DC C 1 14 . 60.535 51.396 -27.248 1.00 55 ? OP1 DC E 14 1 -ATOM 905 O OP2 . DC C 1 14 . 58.305 52.667 -26.991 1.00 47.13 ? OP2 DC E 14 1 -ATOM 906 O "O5'" . DC C 1 14 . 58.337 50.217 -26.930 1.00 55 ? "O5'" DC E 14 1 -ATOM 907 C "C5'" . DC C 1 14 . 56.944 50.331 -27.221 1.00 55 ? "C5'" DC E 14 1 -ATOM 908 C "C4'" . DC C 1 14 . 56.087 49.951 -26.023 1.00 55 ? "C4'" DC E 14 1 -ATOM 909 O "O4'" . DC C 1 14 . 56.365 50.736 -24.811 1.00 55 ? "O4'" DC E 14 1 -ATOM 910 C "C3'" . DC C 1 14 . 54.592 50.189 -26.301 1.00 55 ? "C3'" DC E 14 1 -ATOM 911 O "O3'" . DC C 1 14 . 53.817 49.077 -26.830 1.00 55 ? "O3'" DC E 14 1 -ATOM 912 C "C2'" . DC C 1 14 . 54.029 50.720 -24.984 1.00 55 ? "C2'" DC E 14 1 -ATOM 913 C "C1'" . DC C 1 14 . 55.192 50.605 -23.992 1.00 55 ? "C1'" DC E 14 1 -ATOM 914 N N1 . DC C 1 14 . 55.148 51.659 -22.944 1.00 55 ? N1 DC E 14 1 -ATOM 915 C C2 . DC C 1 14 . 54.368 51.408 -21.780 1.00 52.47 ? C2 DC E 14 1 -ATOM 916 O O2 . DC C 1 14 . 53.796 50.317 -21.678 1.00 52.63 ? O2 DC E 14 1 -ATOM 917 N N3 . DC C 1 14 . 54.268 52.375 -20.795 1.00 55 ? N3 DC E 14 1 -ATOM 918 C C4 . DC C 1 14 . 54.927 53.543 -20.939 1.00 55 ? C4 DC E 14 1 -ATOM 919 N N4 . DC C 1 14 . 54.818 54.470 -19.936 1.00 54.4 ? N4 DC E 14 1 -ATOM 920 C C5 . DC C 1 14 . 55.733 53.817 -22.108 1.00 52.28 ? C5 DC E 14 1 -ATOM 921 C C6 . DC C 1 14 . 55.815 52.856 -23.074 1.00 51.39 ? C6 DC E 14 1 -ATOM 922 O "O5'" . DA D 2 1 . 52.196 46.541 -24.451 1.00 31.3 ? "O5'" DA F 13 1 -ATOM 923 C "C5'" . DA D 2 1 . 51.581 46.001 -23.228 1.00 41.3 ? "C5'" DA F 13 1 -ATOM 924 C "C4'" . DA D 2 1 . 50.321 46.697 -22.750 1.00 42.45 ? "C4'" DA F 13 1 -ATOM 925 O "O4'" . DA D 2 1 . 50.662 47.980 -22.131 1.00 45.17 ? "O4'" DA F 13 1 -ATOM 926 C "C3'" . DA D 2 1 . 49.321 47.004 -23.875 1.00 44.98 ? "C3'" DA F 13 1 -ATOM 927 O "O3'" . DA D 2 1 . 48.046 46.436 -23.524 1.00 46.35 ? "O3'" DA F 13 1 -ATOM 928 C "C2'" . DA D 2 1 . 49.338 48.533 -23.993 1.00 35.4 ? "C2'" DA F 13 1 -ATOM 929 C "C1'" . DA D 2 1 . 49.751 48.987 -22.598 1.00 38.85 ? "C1'" DA F 13 1 -ATOM 930 N N9 . DA D 2 1 . 50.387 50.318 -22.455 1.00 38.98 ? N9 DA F 13 1 -ATOM 931 C C8 . DA D 2 1 . 51.613 50.722 -22.895 1.00 40.38 ? C8 DA F 13 1 -ATOM 932 N N7 . DA D 2 1 . 51.899 51.977 -22.596 1.00 42.52 ? N7 DA F 13 1 -ATOM 933 C C5 . DA D 2 1 . 50.785 52.437 -21.920 1.00 40.69 ? C5 DA F 13 1 -ATOM 934 C C6 . DA D 2 1 . 50.474 53.682 -21.298 1.00 37.34 ? C6 DA F 13 1 -ATOM 935 N N6 . DA D 2 1 . 51.265 54.771 -21.281 1.00 31.64 ? N6 DA F 13 1 -ATOM 936 N N1 . DA D 2 1 . 49.295 53.785 -20.671 1.00 36.19 ? N1 DA F 13 1 -ATOM 937 C C2 . DA D 2 1 . 48.483 52.726 -20.664 1.00 31.26 ? C2 DA F 13 1 -ATOM 938 N N3 . DA D 2 1 . 48.648 51.525 -21.195 1.00 36.31 ? N3 DA F 13 1 -ATOM 939 C C4 . DA D 2 1 . 49.837 51.433 -21.821 1.00 42.68 ? C4 DA F 13 1 -ATOM 940 P P . DT D 2 2 . 46.728 46.691 -24.460 1.00 55 ? P DT F 12 1 -ATOM 941 O OP1 . DT D 2 2 . 45.971 45.420 -24.764 1.00 53.9 ? OP1 DT F 12 1 -ATOM 942 O OP2 . DT D 2 2 . 47.107 47.604 -25.590 1.00 52.04 ? OP2 DT F 12 1 -ATOM 943 O "O5'" . DT D 2 2 . 45.732 47.449 -23.461 1.00 55 ? "O5'" DT F 12 1 -ATOM 944 C "C5'" . DT D 2 2 . 46.145 47.837 -22.120 1.00 55 ? "C5'" DT F 12 1 -ATOM 945 C "C4'" . DT D 2 2 . 45.278 48.980 -21.632 1.00 52.68 ? "C4'" DT F 12 1 -ATOM 946 O "O4'" . DT D 2 2 . 46.029 50.159 -21.256 1.00 49.1 ? "O4'" DT F 12 1 -ATOM 947 C "C3'" . DT D 2 2 . 44.387 49.439 -22.765 1.00 51.1 ? "C3'" DT F 12 1 -ATOM 948 O "O3'" . DT D 2 2 . 43.335 48.484 -22.774 1.00 45.01 ? "O3'" DT F 12 1 -ATOM 949 C "C2'" . DT D 2 2 . 44.076 50.889 -22.424 1.00 46.07 ? "C2'" DT F 12 1 -ATOM 950 C "C1'" . DT D 2 2 . 45.256 51.319 -21.546 1.00 47.38 ? "C1'" DT F 12 1 -ATOM 951 N N1 . DT D 2 2 . 46.145 52.344 -22.134 1.00 52.18 ? N1 DT F 12 1 -ATOM 952 C C2 . DT D 2 2 . 46.130 53.608 -21.549 1.00 50.13 ? C2 DT F 12 1 -ATOM 953 O O2 . DT D 2 2 . 45.438 53.903 -20.582 1.00 51.28 ? O2 DT F 12 1 -ATOM 954 N N3 . DT D 2 2 . 46.956 54.519 -22.132 1.00 46.57 ? N3 DT F 12 1 -ATOM 955 C C4 . DT D 2 2 . 47.789 54.326 -23.192 1.00 55 ? C4 DT F 12 1 -ATOM 956 O O4 . DT D 2 2 . 48.458 55.256 -23.575 1.00 55 ? O4 DT F 12 1 -ATOM 957 C C5 . DT D 2 2 . 47.783 52.971 -23.769 1.00 55 ? C5 DT F 12 1 -ATOM 958 C C7 . DT D 2 2 . 48.680 52.654 -24.930 1.00 50.79 ? C7 DT F 12 1 -ATOM 959 C C6 . DT D 2 2 . 46.960 52.063 -23.214 1.00 54.47 ? C6 DT F 12 1 -ATOM 960 P P . DA D 2 3 . 41.836 48.933 -22.564 1.00 46.55 ? P DA F 11 1 -ATOM 961 O OP1 . DA D 2 3 . 41.275 47.776 -21.806 1.00 55 ? OP1 DA F 11 1 -ATOM 962 O OP2 . DA D 2 3 . 41.274 49.315 -23.894 1.00 39.55 ? OP2 DA F 11 1 -ATOM 963 O "O5'" . DA D 2 3 . 41.856 50.207 -21.604 1.00 48.88 ? "O5'" DA F 11 1 -ATOM 964 C "C5'" . DA D 2 3 . 41.417 50.113 -20.250 1.00 42.78 ? "C5'" DA F 11 1 -ATOM 965 C "C4'" . DA D 2 3 . 40.939 51.457 -19.738 1.00 35.19 ? "C4'" DA F 11 1 -ATOM 966 O "O4'" . DA D 2 3 . 41.801 52.552 -20.135 1.00 29.52 ? "O4'" DA F 11 1 -ATOM 967 C "C3'" . DA D 2 3 . 39.522 51.866 -20.110 1.00 23.23 ? "C3'" DA F 11 1 -ATOM 968 O "O3'" . DA D 2 3 . 39.007 52.433 -18.920 1.00 21.96 ? "O3'" DA F 11 1 -ATOM 969 C "C2'" . DA D 2 3 . 39.746 52.907 -21.207 1.00 33.06 ? "C2'" DA F 11 1 -ATOM 970 C "C1'" . DA D 2 3 . 41.085 53.558 -20.853 1.00 34.91 ? "C1'" DA F 11 1 -ATOM 971 N N9 . DA D 2 3 . 41.957 53.988 -21.964 1.00 40.51 ? N9 DA F 11 1 -ATOM 972 C C8 . DA D 2 3 . 42.041 53.474 -23.229 1.00 40.12 ? C8 DA F 11 1 -ATOM 973 N N7 . DA D 2 3 . 42.957 54.053 -23.979 1.00 33.1 ? N7 DA F 11 1 -ATOM 974 C C5 . DA D 2 3 . 43.511 55.022 -23.157 1.00 32.05 ? C5 DA F 11 1 -ATOM 975 C C6 . DA D 2 3 . 44.559 55.998 -23.355 1.00 30.22 ? C6 DA F 11 1 -ATOM 976 N N6 . DA D 2 3 . 45.285 56.170 -24.469 1.00 32.82 ? N6 DA F 11 1 -ATOM 977 N N1 . DA D 2 3 . 44.841 56.817 -22.320 1.00 37.16 ? N1 DA F 11 1 -ATOM 978 C C2 . DA D 2 3 . 44.136 56.665 -21.167 1.00 40.96 ? C2 DA F 11 1 -ATOM 979 N N3 . DA D 2 3 . 43.164 55.802 -20.872 1.00 38.91 ? N3 DA F 11 1 -ATOM 980 C C4 . DA D 2 3 . 42.894 55.004 -21.914 1.00 34.63 ? C4 DA F 11 1 -ATOM 981 P P . DT D 2 4 . 37.444 52.492 -18.639 1.00 25.31 ? P DT F 10 1 -ATOM 982 O OP1 . DT D 2 4 . 37.439 52.255 -17.212 1.00 21.49 ? OP1 DT F 10 1 -ATOM 983 O OP2 . DT D 2 4 . 36.623 51.611 -19.507 1.00 24.13 ? OP2 DT F 10 1 -ATOM 984 O "O5'" . DT D 2 4 . 37.177 54.041 -18.904 1.00 29.28 ? "O5'" DT F 10 1 -ATOM 985 C "C5'" . DT D 2 4 . 38.141 54.937 -18.368 1.00 27.46 ? "C5'" DT F 10 1 -ATOM 986 C "C4'" . DT D 2 4 . 37.919 56.362 -18.795 1.00 23.29 ? "C4'" DT F 10 1 -ATOM 987 O "O4'" . DT D 2 4 . 38.799 56.730 -19.866 1.00 30.99 ? "O4'" DT F 10 1 -ATOM 988 C "C3'" . DT D 2 4 . 36.546 56.885 -19.166 1.00 29.2 ? "C3'" DT F 10 1 -ATOM 989 O "O3'" . DT D 2 4 . 36.486 58.027 -18.260 1.00 28.19 ? "O3'" DT F 10 1 -ATOM 990 C "C2'" . DT D 2 4 . 36.656 57.130 -20.684 1.00 26.83 ? "C2'" DT F 10 1 -ATOM 991 C "C1'" . DT D 2 4 . 38.122 57.472 -20.906 1.00 27.54 ? "C1'" DT F 10 1 -ATOM 992 N N1 . DT D 2 4 . 38.894 57.151 -22.187 1.00 38.03 ? N1 DT F 10 1 -ATOM 993 C C2 . DT D 2 4 . 39.951 58.016 -22.554 1.00 41.72 ? C2 DT F 10 1 -ATOM 994 O O2 . DT D 2 4 . 40.216 59.054 -21.967 1.00 43.8 ? O2 DT F 10 1 -ATOM 995 N N3 . DT D 2 4 . 40.686 57.607 -23.641 1.00 38.13 ? N3 DT F 10 1 -ATOM 996 C C4 . DT D 2 4 . 40.495 56.485 -24.393 1.00 27.21 ? C4 DT F 10 1 -ATOM 997 O O4 . DT D 2 4 . 41.268 56.252 -25.297 1.00 34.86 ? O4 DT F 10 1 -ATOM 998 C C5 . DT D 2 4 . 39.364 55.656 -24.018 1.00 28.27 ? C5 DT F 10 1 -ATOM 999 C C7 . DT D 2 4 . 39.060 54.429 -24.814 1.00 28.01 ? C7 DT F 10 1 -ATOM 1000 C C6 . DT D 2 4 . 38.624 56.027 -22.956 1.00 34.11 ? C6 DT F 10 1 -ATOM 1001 P P . DG D 2 5 . 35.672 59.367 -18.605 1.00 19.85 ? P DG F 9 1 -ATOM 1002 O OP1 . DG D 2 5 . 35.538 59.937 -17.258 1.00 29.14 ? OP1 DG F 9 1 -ATOM 1003 O OP2 . DG D 2 5 . 34.423 59.200 -19.435 1.00 19.55 ? OP2 DG F 9 1 -ATOM 1004 O "O5'" . DG D 2 5 . 36.811 60.228 -19.246 1.00 22.89 ? "O5'" DG F 9 1 -ATOM 1005 C "C5'" . DG D 2 5 . 37.757 60.811 -18.379 1.00 29.57 ? "C5'" DG F 9 1 -ATOM 1006 C "C4'" . DG D 2 5 . 38.074 62.225 -18.806 1.00 25.07 ? "C4'" DG F 9 1 -ATOM 1007 O "O4'" . DG D 2 5 . 38.736 62.193 -20.087 1.00 20.95 ? "O4'" DG F 9 1 -ATOM 1008 C "C3'" . DG D 2 5 . 36.879 63.148 -18.993 1.00 23.23 ? "C3'" DG F 9 1 -ATOM 1009 O "O3'" . DG D 2 5 . 37.364 64.488 -18.898 1.00 34.69 ? "O3'" DG F 9 1 -ATOM 1010 C "C2'" . DG D 2 5 . 36.502 62.869 -20.419 1.00 21.51 ? "C2'" DG F 9 1 -ATOM 1011 C "C1'" . DG D 2 5 . 37.871 62.686 -21.036 1.00 21.86 ? "C1'" DG F 9 1 -ATOM 1012 N N9 . DG D 2 5 . 37.826 61.772 -22.142 1.00 22.16 ? N9 DG F 9 1 -ATOM 1013 C C8 . DG D 2 5 . 37.060 60.675 -22.294 1.00 18.22 ? C8 DG F 9 1 -ATOM 1014 N N7 . DG D 2 5 . 37.229 60.095 -23.444 1.00 29.66 ? N7 DG F 9 1 -ATOM 1015 C C5 . DG D 2 5 . 38.179 60.875 -24.077 1.00 32.74 ? C5 DG F 9 1 -ATOM 1016 C C6 . DG D 2 5 . 38.746 60.773 -25.351 1.00 36.61 ? C6 DG F 9 1 -ATOM 1017 O O6 . DG D 2 5 . 38.503 59.939 -26.236 1.00 37.57 ? O6 DG F 9 1 -ATOM 1018 N N1 . DG D 2 5 . 39.686 61.780 -25.580 1.00 33.84 ? N1 DG F 9 1 -ATOM 1019 C C2 . DG D 2 5 . 40.027 62.770 -24.680 1.00 39.28 ? C2 DG F 9 1 -ATOM 1020 N N2 . DG D 2 5 . 40.984 63.670 -25.035 1.00 37.76 ? N2 DG F 9 1 -ATOM 1021 N N3 . DG D 2 5 . 39.474 62.877 -23.500 1.00 37.04 ? N3 DG F 9 1 -ATOM 1022 C C4 . DG D 2 5 . 38.566 61.899 -23.271 1.00 33.89 ? C4 DG F 9 1 -ATOM 1023 P P . DT D 2 6 . 36.400 65.721 -19.210 1.00 36.67 ? P DT F 8 1 -ATOM 1024 O OP1 . DT D 2 6 . 36.894 66.806 -18.292 1.00 36.61 ? OP1 DT F 8 1 -ATOM 1025 O OP2 . DT D 2 6 . 34.989 65.228 -19.094 1.00 27.67 ? OP2 DT F 8 1 -ATOM 1026 O "O5'" . DT D 2 6 . 36.698 66.089 -20.755 1.00 39.41 ? "O5'" DT F 8 1 -ATOM 1027 C "C5'" . DT D 2 6 . 38.050 66.099 -21.274 1.00 39.26 ? "C5'" DT F 8 1 -ATOM 1028 C "C4'" . DT D 2 6 . 38.192 67.018 -22.471 1.00 33.08 ? "C4'" DT F 8 1 -ATOM 1029 O "O4'" . DT D 2 6 . 38.414 66.244 -23.683 1.00 31.25 ? "O4'" DT F 8 1 -ATOM 1030 C "C3'" . DT D 2 6 . 36.968 67.883 -22.727 1.00 32.96 ? "C3'" DT F 8 1 -ATOM 1031 O "O3'" . DT D 2 6 . 37.319 69.115 -23.352 1.00 34.95 ? "O3'" DT F 8 1 -ATOM 1032 C "C2'" . DT D 2 6 . 36.193 67.060 -23.714 1.00 32.42 ? "C2'" DT F 8 1 -ATOM 1033 C "C1'" . DT D 2 6 . 37.288 66.371 -24.525 1.00 33.16 ? "C1'" DT F 8 1 -ATOM 1034 N N1 . DT D 2 6 . 36.805 65.033 -24.971 1.00 28.95 ? N1 DT F 8 1 -ATOM 1035 C C2 . DT D 2 6 . 37.477 64.342 -25.924 1.00 29.83 ? C2 DT F 8 1 -ATOM 1036 O O2 . DT D 2 6 . 38.498 64.732 -26.403 1.00 40.47 ? O2 DT F 8 1 -ATOM 1037 N N3 . DT D 2 6 . 36.910 63.171 -26.298 1.00 28.22 ? N3 DT F 8 1 -ATOM 1038 C C4 . DT D 2 6 . 35.758 62.623 -25.816 1.00 26.31 ? C4 DT F 8 1 -ATOM 1039 O O4 . DT D 2 6 . 35.362 61.579 -26.263 1.00 33.65 ? O4 DT F 8 1 -ATOM 1040 C C5 . DT D 2 6 . 35.100 63.369 -24.793 1.00 28.16 ? C5 DT F 8 1 -ATOM 1041 C C7 . DT D 2 6 . 33.830 62.824 -24.188 1.00 24.72 ? C7 DT F 8 1 -ATOM 1042 C C6 . DT D 2 6 . 35.652 64.527 -24.420 1.00 27.42 ? C6 DT F 8 1 -ATOM 1043 P P . DC D 2 7 . 36.433 70.448 -23.065 1.00 41.78 ? P DC F 7 1 -ATOM 1044 O OP1 . DC D 2 7 . 37.409 71.404 -22.521 1.00 42.03 ? OP1 DC F 7 1 -ATOM 1045 O OP2 . DC D 2 7 . 35.115 70.273 -22.361 1.00 33.42 ? OP2 DC F 7 1 -ATOM 1046 O "O5'" . DC D 2 7 . 36.070 70.940 -24.525 1.00 36.89 ? "O5'" DC F 7 1 -ATOM 1047 C "C5'" . DC D 2 7 . 37.074 71.156 -25.522 1.00 28.88 ? "C5'" DC F 7 1 -ATOM 1048 C "C4'" . DC D 2 7 . 36.363 71.298 -26.830 1.00 30.64 ? "C4'" DC F 7 1 -ATOM 1049 O "O4'" . DC D 2 7 . 36.028 69.937 -27.246 1.00 25.93 ? "O4'" DC F 7 1 -ATOM 1050 C "C3'" . DC D 2 7 . 35.039 72.004 -26.488 1.00 38.23 ? "C3'" DC F 7 1 -ATOM 1051 O "O3'" . DC D 2 7 . 34.697 73.146 -27.282 1.00 43.55 ? "O3'" DC F 7 1 -ATOM 1052 C "C2'" . DC D 2 7 . 33.981 70.932 -26.586 1.00 38.97 ? "C2'" DC F 7 1 -ATOM 1053 C "C1'" . DC D 2 7 . 34.618 69.853 -27.453 1.00 40.17 ? "C1'" DC F 7 1 -ATOM 1054 N N1 . DC D 2 7 . 34.074 68.496 -27.113 1.00 38.99 ? N1 DC F 7 1 -ATOM 1055 C C2 . DC D 2 7 . 34.634 67.312 -27.657 1.00 39.07 ? C2 DC F 7 1 -ATOM 1056 O O2 . DC D 2 7 . 35.623 67.386 -28.434 1.00 45.21 ? O2 DC F 7 1 -ATOM 1057 N N3 . DC D 2 7 . 34.066 66.115 -27.324 1.00 27.67 ? N3 DC F 7 1 -ATOM 1058 C C4 . DC D 2 7 . 33.017 66.081 -26.524 1.00 29.36 ? C4 DC F 7 1 -ATOM 1059 N N4 . DC D 2 7 . 32.503 64.931 -26.254 1.00 28.91 ? N4 DC F 7 1 -ATOM 1060 C C5 . DC D 2 7 . 32.447 67.243 -25.967 1.00 40.15 ? C5 DC F 7 1 -ATOM 1061 C C6 . DC D 2 7 . 32.994 68.410 -26.273 1.00 40.85 ? C6 DC F 7 1 -ATOM 1062 P P . DA D 2 8 . 33.414 74.059 -26.862 1.00 53.93 ? P DA F 6 1 -ATOM 1063 O OP1 . DA D 2 8 . 34.057 75.392 -26.618 1.00 55 ? OP1 DA F 6 1 -ATOM 1064 O OP2 . DA D 2 8 . 32.496 73.443 -25.823 1.00 39.57 ? OP2 DA F 6 1 -ATOM 1065 O "O5'" . DA D 2 8 . 32.554 74.101 -28.196 1.00 46.92 ? "O5'" DA F 6 1 -ATOM 1066 C "C5'" . DA D 2 8 . 33.167 73.698 -29.403 1.00 42.42 ? "C5'" DA F 6 1 -ATOM 1067 C "C4'" . DA D 2 8 . 32.126 73.396 -30.447 1.00 50.7 ? "C4'" DA F 6 1 -ATOM 1068 O "O4'" . DA D 2 8 . 31.749 72.009 -30.415 1.00 49.45 ? "O4'" DA F 6 1 -ATOM 1069 C "C3'" . DA D 2 8 . 30.829 74.166 -30.296 1.00 47.93 ? "C3'" DA F 6 1 -ATOM 1070 O "O3'" . DA D 2 8 . 30.318 74.255 -31.642 1.00 53.68 ? "O3'" DA F 6 1 -ATOM 1071 C "C2'" . DA D 2 8 . 30.033 73.228 -29.398 1.00 47.48 ? "C2'" DA F 6 1 -ATOM 1072 C "C1'" . DA D 2 8 . 30.399 71.884 -29.994 1.00 53.11 ? "C1'" DA F 6 1 -ATOM 1073 N N9 . DA D 2 8 . 30.361 70.722 -29.116 1.00 51.97 ? N9 DA F 6 1 -ATOM 1074 C C8 . DA D 2 8 . 30.682 70.603 -27.790 1.00 42.75 ? C8 DA F 6 1 -ATOM 1075 N N7 . DA D 2 8 . 30.560 69.386 -27.331 1.00 47.98 ? N7 DA F 6 1 -ATOM 1076 C C5 . DA D 2 8 . 30.124 68.657 -28.434 1.00 53.16 ? C5 DA F 6 1 -ATOM 1077 C C6 . DA D 2 8 . 29.817 67.295 -28.615 1.00 55 ? C6 DA F 6 1 -ATOM 1078 N N6 . DA D 2 8 . 29.913 66.396 -27.634 1.00 55 ? N6 DA F 6 1 -ATOM 1079 N N1 . DA D 2 8 . 29.407 66.886 -29.851 1.00 52.93 ? N1 DA F 6 1 -ATOM 1080 C C2 . DA D 2 8 . 29.322 67.794 -30.821 1.00 44.78 ? C2 DA F 6 1 -ATOM 1081 N N3 . DA D 2 8 . 29.590 69.102 -30.771 1.00 54.97 ? N3 DA F 6 1 -ATOM 1082 C C4 . DA D 2 8 . 29.990 69.469 -29.533 1.00 53.44 ? C4 DA F 6 1 -ATOM 1083 P P . DC D 2 9 . 29.468 75.536 -32.143 1.00 46.67 ? P DC F 5 1 -ATOM 1084 O OP1 . DC D 2 9 . 30.257 75.987 -33.325 1.00 50.45 ? OP1 DC F 5 1 -ATOM 1085 O OP2 . DC D 2 9 . 29.119 76.521 -31.047 1.00 49.02 ? OP2 DC F 5 1 -ATOM 1086 O "O5'" . DC D 2 9 . 28.130 74.833 -32.651 1.00 41.87 ? "O5'" DC F 5 1 -ATOM 1087 C "C5'" . DC D 2 9 . 28.210 73.631 -33.429 1.00 45.32 ? "C5'" DC F 5 1 -ATOM 1088 C "C4'" . DC D 2 9 . 26.855 72.979 -33.548 1.00 42.97 ? "C4'" DC F 5 1 -ATOM 1089 O "O4'" . DC D 2 9 . 26.819 71.829 -32.685 1.00 49.2 ? "O4'" DC F 5 1 -ATOM 1090 C "C3'" . DC D 2 9 . 25.672 73.850 -33.143 1.00 42.69 ? "C3'" DC F 5 1 -ATOM 1091 O "O3'" . DC D 2 9 . 24.552 73.544 -34.010 1.00 50.45 ? "O3'" DC F 5 1 -ATOM 1092 C "C2'" . DC D 2 9 . 25.412 73.420 -31.696 1.00 44.72 ? "C2'" DC F 5 1 -ATOM 1093 C "C1'" . DC D 2 9 . 25.736 71.926 -31.738 1.00 50.94 ? "C1'" DC F 5 1 -ATOM 1094 N N1 . DC D 2 9 . 26.172 71.245 -30.469 1.00 46.13 ? N1 DC F 5 1 -ATOM 1095 C C2 . DC D 2 9 . 26.309 69.818 -30.451 1.00 51.37 ? C2 DC F 5 1 -ATOM 1096 O O2 . DC D 2 9 . 26.042 69.165 -31.466 1.00 53.46 ? O2 DC F 5 1 -ATOM 1097 N N3 . DC D 2 9 . 26.727 69.192 -29.320 1.00 54.36 ? N3 DC F 5 1 -ATOM 1098 C C4 . DC D 2 9 . 27.000 69.907 -28.228 1.00 54.99 ? C4 DC F 5 1 -ATOM 1099 N N4 . DC D 2 9 . 27.414 69.243 -27.139 1.00 46.19 ? N4 DC F 5 1 -ATOM 1100 C C5 . DC D 2 9 . 26.863 71.338 -28.204 1.00 52.13 ? C5 DC F 5 1 -ATOM 1101 C C6 . DC D 2 9 . 26.449 71.958 -29.335 1.00 49.39 ? C6 DC F 5 1 -ATOM 1102 P P . DA D 2 10 . 24.433 74.190 -35.511 1.00 45.95 ? P DA F 4 1 -ATOM 1103 O OP1 . DA D 2 10 . 25.683 74.053 -36.303 1.00 34.48 ? OP1 DA F 4 1 -ATOM 1104 O OP2 . DA D 2 10 . 23.812 75.534 -35.333 1.00 39.41 ? OP2 DA F 4 1 -ATOM 1105 O "O5'" . DA D 2 10 . 23.388 73.213 -36.229 1.00 42.5 ? "O5'" DA F 4 1 -ATOM 1106 C "C5'" . DA D 2 10 . 23.835 72.267 -37.213 1.00 38.52 ? "C5'" DA F 4 1 -ATOM 1107 C "C4'" . DA D 2 10 . 23.231 70.892 -36.991 1.00 35.99 ? "C4'" DA F 4 1 -ATOM 1108 O "O4'" . DA D 2 10 . 23.530 70.482 -35.643 1.00 37.73 ? "O4'" DA F 4 1 -ATOM 1109 C "C3'" . DA D 2 10 . 21.723 70.673 -37.200 1.00 35.99 ? "C3'" DA F 4 1 -ATOM 1110 O "O3'" . DA D 2 10 . 21.567 69.482 -38.026 1.00 35.44 ? "O3'" DA F 4 1 -ATOM 1111 C "C2'" . DA D 2 10 . 21.180 70.516 -35.785 1.00 33.37 ? "C2'" DA F 4 1 -ATOM 1112 C "C1'" . DA D 2 10 . 22.375 70.004 -34.966 1.00 38.01 ? "C1'" DA F 4 1 -ATOM 1113 N N9 . DA D 2 10 . 22.524 70.426 -33.556 1.00 38.99 ? N9 DA F 4 1 -ATOM 1114 C C8 . DA D 2 10 . 22.369 71.682 -33.021 1.00 43.06 ? C8 DA F 4 1 -ATOM 1115 N N7 . DA D 2 10 . 22.607 71.748 -31.718 1.00 42.94 ? N7 DA F 4 1 -ATOM 1116 C C5 . DA D 2 10 . 22.936 70.456 -31.370 1.00 44.85 ? C5 DA F 4 1 -ATOM 1117 C C6 . DA D 2 10 . 23.314 69.859 -30.120 1.00 47.21 ? C6 DA F 4 1 -ATOM 1118 N N6 . DA D 2 10 . 23.425 70.512 -28.951 1.00 39.79 ? N6 DA F 4 1 -ATOM 1119 N N1 . DA D 2 10 . 23.580 68.533 -30.121 1.00 47.12 ? N1 DA F 4 1 -ATOM 1120 C C2 . DA D 2 10 . 23.469 67.861 -31.305 1.00 47.74 ? C2 DA F 4 1 -ATOM 1121 N N3 . DA D 2 10 . 23.130 68.307 -32.522 1.00 40.17 ? N3 DA F 4 1 -ATOM 1122 C C4 . DA D 2 10 . 22.878 69.620 -32.491 1.00 44.31 ? C4 DA F 4 1 -ATOM 1123 P P . DC D 2 11 . 20.095 68.958 -38.513 1.00 47.89 ? P DC F 3 1 -ATOM 1124 O OP1 . DC D 2 11 . 20.241 68.290 -39.818 1.00 36.78 ? OP1 DC F 3 1 -ATOM 1125 O OP2 . DC D 2 11 . 19.014 69.985 -38.333 1.00 39.32 ? OP2 DC F 3 1 -ATOM 1126 O "O5'" . DC D 2 11 . 19.816 67.764 -37.506 1.00 45.4 ? "O5'" DC F 3 1 -ATOM 1127 C "C5'" . DC D 2 11 . 20.904 67.079 -36.902 1.00 41.57 ? "C5'" DC F 3 1 -ATOM 1128 C "C4'" . DC D 2 11 . 20.377 66.265 -35.761 1.00 39.86 ? "C4'" DC F 3 1 -ATOM 1129 O "O4'" . DC D 2 11 . 20.571 67.009 -34.539 1.00 38.8 ? "O4'" DC F 3 1 -ATOM 1130 C "C3'" . DC D 2 11 . 18.867 66.061 -35.924 1.00 38.18 ? "C3'" DC F 3 1 -ATOM 1131 O "O3'" . DC D 2 11 . 18.538 64.677 -35.799 1.00 41.93 ? "O3'" DC F 3 1 -ATOM 1132 C "C2'" . DC D 2 11 . 18.252 66.909 -34.824 1.00 34.44 ? "C2'" DC F 3 1 -ATOM 1133 C "C1'" . DC D 2 11 . 19.360 66.955 -33.780 1.00 44.33 ? "C1'" DC F 3 1 -ATOM 1134 N N1 . DC D 2 11 . 19.335 68.103 -32.828 1.00 44.31 ? N1 DC F 3 1 -ATOM 1135 C C2 . DC D 2 11 . 19.130 67.874 -31.472 1.00 36.7 ? C2 DC F 3 1 -ATOM 1136 O O2 . DC D 2 11 . 18.968 66.738 -31.036 1.00 32.6 ? O2 DC F 3 1 -ATOM 1137 N N3 . DC D 2 11 . 19.122 68.905 -30.647 1.00 37.26 ? N3 DC F 3 1 -ATOM 1138 C C4 . DC D 2 11 . 19.315 70.137 -31.089 1.00 35.75 ? C4 DC F 3 1 -ATOM 1139 N N4 . DC D 2 11 . 19.324 71.093 -30.184 1.00 38.64 ? N4 DC F 3 1 -ATOM 1140 C C5 . DC D 2 11 . 19.512 70.419 -32.437 1.00 37.1 ? C5 DC F 3 1 -ATOM 1141 C C6 . DC D 2 11 . 19.516 69.381 -33.275 1.00 46.31 ? C6 DC F 3 1 -ATOM 1142 P P . DT D 2 12 . 16.998 64.236 -35.654 1.00 50.71 ? P DT F 2 1 -ATOM 1143 O OP1 . DT D 2 12 . 16.766 62.963 -36.394 1.00 53.39 ? OP1 DT F 2 1 -ATOM 1144 O OP2 . DT D 2 12 . 16.169 65.423 -35.958 1.00 48.71 ? OP2 DT F 2 1 -ATOM 1145 O "O5'" . DT D 2 12 . 16.793 63.922 -34.088 1.00 55 ? "O5'" DT F 2 1 -ATOM 1146 C "C5'" . DT D 2 12 . 17.625 62.959 -33.412 1.00 45.84 ? "C5'" DT F 2 1 -ATOM 1147 C "C4'" . DT D 2 12 . 17.117 62.673 -32.016 1.00 42.4 ? "C4'" DT F 2 1 -ATOM 1148 O "O4'" . DT D 2 12 . 17.342 63.812 -31.161 1.00 41.36 ? "O4'" DT F 2 1 -ATOM 1149 C "C3'" . DT D 2 12 . 15.640 62.293 -31.869 1.00 43.22 ? "C3'" DT F 2 1 -ATOM 1150 O "O3'" . DT D 2 12 . 15.595 61.140 -30.989 1.00 31.01 ? "O3'" DT F 2 1 -ATOM 1151 C "C2'" . DT D 2 12 . 15.006 63.560 -31.304 1.00 37.22 ? "C2'" DT F 2 1 -ATOM 1152 C "C1'" . DT D 2 12 . 16.144 64.164 -30.494 1.00 42.95 ? "C1'" DT F 2 1 -ATOM 1153 N N1 . DT D 2 12 . 16.141 65.626 -30.366 1.00 40.49 ? N1 DT F 2 1 -ATOM 1154 C C2 . DT D 2 12 . 16.151 66.163 -29.115 1.00 43.06 ? C2 DT F 2 1 -ATOM 1155 O O2 . DT D 2 12 . 16.173 65.484 -28.112 1.00 47.23 ? O2 DT F 2 1 -ATOM 1156 N N3 . DT D 2 12 . 16.142 67.531 -29.071 1.00 46.85 ? N3 DT F 2 1 -ATOM 1157 C C4 . DT D 2 12 . 16.132 68.391 -30.137 1.00 48.2 ? C4 DT F 2 1 -ATOM 1158 O O4 . DT D 2 12 . 16.113 69.595 -29.945 1.00 43.15 ? O4 DT F 2 1 -ATOM 1159 C C5 . DT D 2 12 . 16.141 67.755 -31.433 1.00 48.16 ? C5 DT F 2 1 -ATOM 1160 C C7 . DT D 2 12 . 16.164 68.603 -32.665 1.00 53.06 ? C7 DT F 2 1 -ATOM 1161 C C6 . DT D 2 12 . 16.134 66.420 -31.478 1.00 43.85 ? C6 DT F 2 1 -ATOM 1162 P P . DT D 2 13 . 14.211 60.367 -30.683 1.00 37.37 ? P DT F 1 1 -ATOM 1163 O OP1 . DT D 2 13 . 14.670 58.976 -30.506 1.00 37.79 ? OP1 DT F 1 1 -ATOM 1164 O OP2 . DT D 2 13 . 13.087 60.673 -31.585 1.00 41.13 ? OP2 DT F 1 1 -ATOM 1165 O "O5'" . DT D 2 13 . 13.816 60.894 -29.251 1.00 39.3 ? "O5'" DT F 1 1 -ATOM 1166 C "C5'" . DT D 2 13 . 14.780 60.741 -28.217 1.00 44.59 ? "C5'" DT F 1 1 -ATOM 1167 C "C4'" . DT D 2 13 . 14.428 61.566 -27.007 1.00 43.29 ? "C4'" DT F 1 1 -ATOM 1168 O "O4'" . DT D 2 13 . 14.473 62.950 -27.389 1.00 40.87 ? "O4'" DT F 1 1 -ATOM 1169 C "C3'" . DT D 2 13 . 13.051 61.303 -26.387 1.00 35.48 ? "C3'" DT F 1 1 -ATOM 1170 O "O3'" . DT D 2 13 . 13.270 60.727 -25.087 1.00 27.2 ? "O3'" DT F 1 1 -ATOM 1171 C "C2'" . DT D 2 13 . 12.371 62.674 -26.395 1.00 38.9 ? "C2'" DT F 1 1 -ATOM 1172 C "C1'" . DT D 2 13 . 13.505 63.655 -26.648 1.00 39.45 ? "C1'" DT F 1 1 -ATOM 1173 N N1 . DT D 2 13 . 13.227 64.908 -27.390 1.00 45.13 ? N1 DT F 1 1 -ATOM 1174 C C2 . DT D 2 13 . 12.983 66.063 -26.645 1.00 47.04 ? C2 DT F 1 1 -ATOM 1175 O O2 . DT D 2 13 . 12.954 66.077 -25.422 1.00 45.09 ? O2 DT F 1 1 -ATOM 1176 N N3 . DT D 2 13 . 12.777 67.215 -27.393 1.00 48.66 ? N3 DT F 1 1 -ATOM 1177 C C4 . DT D 2 13 . 12.788 67.338 -28.778 1.00 45.61 ? C4 DT F 1 1 -ATOM 1178 O O4 . DT D 2 13 . 12.612 68.462 -29.282 1.00 42.66 ? O4 DT F 1 1 -ATOM 1179 C C5 . DT D 2 13 . 13.029 66.055 -29.519 1.00 46.36 ? C5 DT F 1 1 -ATOM 1180 C C7 . DT D 2 13 . 13.038 66.047 -31.023 1.00 32.8 ? C7 DT F 1 1 -ATOM 1181 C C6 . DT D 2 13 . 13.230 64.933 -28.786 1.00 42.1 ? C6 DT F 1 1 -ATOM 1182 P P . DT D 2 14 . 12.041 60.373 -24.103 1.00 29.86 ? P DT F -1 1 -ATOM 1183 O OP1 . DT D 2 14 . 12.653 59.369 -23.228 1.00 32.32 ? OP1 DT F -1 1 -ATOM 1184 O OP2 . DT D 2 14 . 10.742 60.052 -24.723 1.00 26.97 ? OP2 DT F -1 1 -ATOM 1185 O "O5'" . DT D 2 14 . 11.836 61.724 -23.286 1.00 29.26 ? "O5'" DT F -1 1 -ATOM 1186 C "C5'" . DT D 2 14 . 12.940 62.296 -22.597 1.00 26.87 ? "C5'" DT F -1 1 -ATOM 1187 C "C4'" . DT D 2 14 . 12.530 63.513 -21.795 1.00 34.36 ? "C4'" DT F -1 1 -ATOM 1188 O "O4'" . DT D 2 14 . 12.483 64.727 -22.577 1.00 33.07 ? "O4'" DT F -1 1 -ATOM 1189 C "C3'" . DT D 2 14 . 11.238 63.454 -20.975 1.00 25.9 ? "C3'" DT F -1 1 -ATOM 1190 O "O3'" . DT D 2 14 . 11.638 63.910 -19.689 1.00 29.62 ? "O3'" DT F -1 1 -ATOM 1191 C "C2'" . DT D 2 14 . 10.336 64.462 -21.654 1.00 26.94 ? "C2'" DT F -1 1 -ATOM 1192 C "C1'" . DT D 2 14 . 11.327 65.492 -22.217 1.00 37 ? "C1'" DT F -1 1 -ATOM 1193 N N1 . DT D 2 14 . 10.823 66.158 -23.458 1.00 39.62 ? N1 DT F -1 1 -ATOM 1194 C C2 . DT D 2 14 . 10.977 67.524 -23.720 1.00 31.97 ? C2 DT F -1 1 -ATOM 1195 O O2 . DT D 2 14 . 11.529 68.329 -23.004 1.00 23.3 ? O2 DT F -1 1 -ATOM 1196 N N3 . DT D 2 14 . 10.440 67.908 -24.903 1.00 38.09 ? N3 DT F -1 1 -ATOM 1197 C C4 . DT D 2 14 . 9.791 67.126 -25.835 1.00 36.94 ? C4 DT F -1 1 -ATOM 1198 O O4 . DT D 2 14 . 9.379 67.645 -26.859 1.00 43.13 ? O4 DT F -1 1 -ATOM 1199 C C5 . DT D 2 14 . 9.666 65.742 -25.503 1.00 33.31 ? C5 DT F -1 1 -ATOM 1200 C C7 . DT D 2 14 . 8.969 64.811 -26.435 1.00 33.24 ? C7 DT F -1 1 -ATOM 1201 C C6 . DT D 2 14 . 10.180 65.338 -24.359 1.00 39.53 ? C6 DT F -1 1 -ATOM 1202 P P . DT D 2 15 . 10.635 63.887 -18.449 1.00 33.08 ? P DT F -2 1 -ATOM 1203 O OP1 . DT D 2 15 . 11.466 63.544 -17.268 1.00 35.7 ? OP1 DT F -2 1 -ATOM 1204 O OP2 . DT D 2 15 . 9.448 63.059 -18.777 1.00 22.39 ? OP2 DT F -2 1 -ATOM 1205 O "O5'" . DT D 2 15 . 10.324 65.440 -18.320 1.00 39.52 ? "O5'" DT F -2 1 -ATOM 1206 C "C5'" . DT D 2 15 . 11.407 66.369 -18.330 1.00 37.29 ? "C5'" DT F -2 1 -ATOM 1207 C "C4'" . DT D 2 15 . 10.894 67.779 -18.480 1.00 38.91 ? "C4'" DT F -2 1 -ATOM 1208 O "O4'" . DT D 2 15 . 10.477 68.026 -19.835 1.00 37.89 ? "O4'" DT F -2 1 -ATOM 1209 C "C3'" . DT D 2 15 . 9.705 68.158 -17.602 1.00 35.31 ? "C3'" DT F -2 1 -ATOM 1210 O "O3'" . DT D 2 15 . 10.103 69.353 -16.945 1.00 37.19 ? "O3'" DT F -2 1 -ATOM 1211 C "C2'" . DT D 2 15 . 8.556 68.387 -18.593 1.00 32.7 ? "C2'" DT F -2 1 -ATOM 1212 C "C1'" . DT D 2 15 . 9.260 68.790 -19.870 1.00 29.02 ? "C1'" DT F -2 1 -ATOM 1213 N N1 . DT D 2 15 . 8.613 68.484 -21.196 1.00 33.93 ? N1 DT F -2 1 -ATOM 1214 C C2 . DT D 2 15 . 8.593 69.436 -22.228 1.00 26.19 ? C2 DT F -2 1 -ATOM 1215 O O2 . DT D 2 15 . 9.008 70.557 -22.115 1.00 19.7 ? O2 DT F -2 1 -ATOM 1216 N N3 . DT D 2 15 . 8.041 68.994 -23.399 1.00 28.92 ? N3 DT F -2 1 -ATOM 1217 C C4 . DT D 2 15 . 7.494 67.749 -23.642 1.00 35.65 ? C4 DT F -2 1 -ATOM 1218 O O4 . DT D 2 15 . 7.040 67.503 -24.734 1.00 36.13 ? O4 DT F -2 1 -ATOM 1219 C C5 . DT D 2 15 . 7.518 66.826 -22.522 1.00 39.74 ? C5 DT F -2 1 -ATOM 1220 C C7 . DT D 2 15 . 6.937 65.459 -22.670 1.00 41.57 ? C7 DT F -2 1 -ATOM 1221 C C6 . DT D 2 15 . 8.067 67.234 -21.381 1.00 40.75 ? C6 DT F -2 1 -ATOM 1222 P P . DC D 2 16 . 9.409 69.808 -15.583 1.00 39.34 ? P DC F -3 1 -ATOM 1223 O OP1 . DC D 2 16 . 10.513 70.651 -15.056 1.00 35.77 ? OP1 DC F -3 1 -ATOM 1224 O OP2 . DC D 2 16 . 8.834 68.721 -14.741 1.00 37.47 ? OP2 DC F -3 1 -ATOM 1225 O "O5'" . DC D 2 16 . 8.205 70.704 -16.113 1.00 41.02 ? "O5'" DC F -3 1 -ATOM 1226 C "C5'" . DC D 2 16 . 8.456 71.848 -16.926 1.00 42.31 ? "C5'" DC F -3 1 -ATOM 1227 C "C4'" . DC D 2 16 . 7.165 72.565 -17.188 1.00 40.83 ? "C4'" DC F -3 1 -ATOM 1228 O "O4'" . DC D 2 16 . 6.615 71.941 -18.376 1.00 45.26 ? "O4'" DC F -3 1 -ATOM 1229 C "C3'" . DC D 2 16 . 6.163 72.309 -16.059 1.00 44.39 ? "C3'" DC F -3 1 -ATOM 1230 O "O3'" . DC D 2 16 . 5.201 73.377 -15.861 1.00 50.43 ? "O3'" DC F -3 1 -ATOM 1231 C "C2'" . DC D 2 16 . 5.394 71.111 -16.600 1.00 48.55 ? "C2'" DC F -3 1 -ATOM 1232 C "C1'" . DC D 2 16 . 5.306 71.474 -18.084 1.00 44.37 ? "C1'" DC F -3 1 -ATOM 1233 N N1 . DC D 2 16 . 4.941 70.361 -19.023 1.00 45.6 ? N1 DC F -3 1 -ATOM 1234 C C2 . DC D 2 16 . 4.582 70.630 -20.387 1.00 40.09 ? C2 DC F -3 1 -ATOM 1235 O O2 . DC D 2 16 . 4.556 71.800 -20.817 1.00 41.42 ? O2 DC F -3 1 -ATOM 1236 N N3 . DC D 2 16 . 4.266 69.590 -21.190 1.00 40.43 ? N3 DC F -3 1 -ATOM 1237 C C4 . DC D 2 16 . 4.284 68.349 -20.717 1.00 36.71 ? C4 DC F -3 1 -ATOM 1238 N N4 . DC D 2 16 . 3.971 67.366 -21.539 1.00 43.96 ? N4 DC F -3 1 -ATOM 1239 C C5 . DC D 2 16 . 4.626 68.055 -19.382 1.00 42.37 ? C5 DC F -3 1 -ATOM 1240 C C6 . DC D 2 16 . 4.945 69.071 -18.575 1.00 45.7 ? C6 DC F -3 1 -ATOM 1241 P P . DG D 2 17 . 5.671 74.894 -15.672 1.00 43.19 ? P DG F -4 1 -ATOM 1242 O OP1 . DG D 2 17 . 6.963 75.115 -16.350 1.00 40.81 ? OP1 DG F -4 1 -ATOM 1243 O OP2 . DG D 2 17 . 5.511 75.198 -14.236 1.00 39.21 ? OP2 DG F -4 1 -ATOM 1244 O "O5'" . DG D 2 17 . 4.607 75.755 -16.475 1.00 38.47 ? "O5'" DG F -4 1 -ATOM 1245 C "C5'" . DG D 2 17 . 5.040 76.541 -17.577 1.00 43.61 ? "C5'" DG F -4 1 -ATOM 1246 C "C4'" . DG D 2 17 . 3.874 76.885 -18.474 1.00 38.71 ? "C4'" DG F -4 1 -ATOM 1247 O "O4'" . DG D 2 17 . 3.402 75.699 -19.149 1.00 44.69 ? "O4'" DG F -4 1 -ATOM 1248 C "C3'" . DG D 2 17 . 2.662 77.369 -17.700 1.00 37.32 ? "C3'" DG F -4 1 -ATOM 1249 O "O3'" . DG D 2 17 . 1.877 77.912 -18.773 1.00 24.26 ? "O3'" DG F -4 1 -ATOM 1250 C "C2'" . DG D 2 17 . 2.082 76.041 -17.251 1.00 37.46 ? "C2'" DG F -4 1 -ATOM 1251 C "C1'" . DG D 2 17 . 2.116 75.375 -18.604 1.00 41.04 ? "C1'" DG F -4 1 -ATOM 1252 N N9 . DG D 2 17 . 1.925 73.926 -18.685 1.00 40.79 ? N9 DG F -4 1 -ATOM 1253 C C8 . DG D 2 17 . 2.100 72.965 -17.731 1.00 36.59 ? C8 DG F -4 1 -ATOM 1254 N N7 . DG D 2 17 . 1.858 71.766 -18.176 1.00 36.33 ? N7 DG F -4 1 -ATOM 1255 C C5 . DG D 2 17 . 1.494 71.953 -19.497 1.00 41.94 ? C5 DG F -4 1 -ATOM 1256 C C6 . DG D 2 17 . 1.145 71.023 -20.505 1.00 45.23 ? C6 DG F -4 1 -ATOM 1257 O O6 . DG D 2 17 . 1.038 69.800 -20.420 1.00 51.56 ? O6 DG F -4 1 -ATOM 1258 N N1 . DG D 2 17 . 0.898 71.652 -21.726 1.00 44.14 ? N1 DG F -4 1 -ATOM 1259 C C2 . DG D 2 17 . 0.961 73.005 -21.946 1.00 44.21 ? C2 DG F -4 1 -ATOM 1260 N N2 . DG D 2 17 . 0.703 73.449 -23.193 1.00 43.56 ? N2 DG F -4 1 -ATOM 1261 N N3 . DG D 2 17 . 1.263 73.871 -21.012 1.00 48.86 ? N3 DG F -4 1 -ATOM 1262 C C4 . DG D 2 17 . 1.523 73.279 -19.822 1.00 43.52 ? C4 DG F -4 1 -ATOM 1263 N N . PRO E 3 9 . 2.133 51.592 15.835 1.00 51.36 ? N PRO A 9 1 -ATOM 1264 C CA . PRO E 3 9 . 3.600 51.747 16.013 1.00 51.53 ? CA PRO A 9 1 -ATOM 1265 C C . PRO E 3 9 . 3.942 53.171 16.474 1.00 47.65 ? C PRO A 9 1 -ATOM 1266 O O . PRO E 3 9 . 3.141 54.090 16.286 1.00 45.67 ? O PRO A 9 1 -ATOM 1267 C CB . PRO E 3 9 . 4.208 51.395 14.660 1.00 53.62 ? CB PRO A 9 1 -ATOM 1268 C CG . PRO E 3 9 . 3.317 50.225 14.266 1.00 46.46 ? CG PRO A 9 1 -ATOM 1269 C CD . PRO E 3 9 . 1.908 50.764 14.615 1.00 51.33 ? CD PRO A 9 1 -ATOM 1270 N N . THR E 3 10 . 5.127 53.369 17.041 1.00 46.94 ? N THR A 10 1 -ATOM 1271 C CA . THR E 3 10 . 5.474 54.683 17.538 1.00 45.64 ? CA THR A 10 1 -ATOM 1272 C C . THR E 3 10 . 6.099 55.589 16.500 1.00 47.57 ? C THR A 10 1 -ATOM 1273 O O . THR E 3 10 . 6.521 56.700 16.842 1.00 50.08 ? O THR A 10 1 -ATOM 1274 C CB . THR E 3 10 . 6.426 54.574 18.733 1.00 44.04 ? CB THR A 10 1 -ATOM 1275 O OG1 . THR E 3 10 . 7.592 53.820 18.382 1.00 49.75 ? OG1 THR A 10 1 -ATOM 1276 C CG2 . THR E 3 10 . 5.694 53.904 19.886 1.00 50.67 ? CG2 THR A 10 1 -ATOM 1277 N N . LEU E 3 11 . 6.175 55.148 15.243 1.00 46.46 ? N LEU A 11 1 -ATOM 1278 C CA . LEU E 3 11 . 6.693 56.060 14.236 1.00 45.92 ? CA LEU A 11 1 -ATOM 1279 C C . LEU E 3 11 . 5.674 57.172 14.210 1.00 48.19 ? C LEU A 11 1 -ATOM 1280 O O . LEU E 3 11 . 6.018 58.334 14.108 1.00 53.63 ? O LEU A 11 1 -ATOM 1281 C CB . LEU E 3 11 . 6.748 55.448 12.848 1.00 40.81 ? CB LEU A 11 1 -ATOM 1282 C CG . LEU E 3 11 . 7.149 53.988 12.770 1.00 49.49 ? CG LEU A 11 1 -ATOM 1283 C CD1 . LEU E 3 11 . 5.858 53.214 12.714 1.00 48.62 ? CD1 LEU A 11 1 -ATOM 1284 C CD2 . LEU E 3 11 . 7.965 53.656 11.529 1.00 41.29 ? CD2 LEU A 11 1 -ATOM 1285 N N . GLU E 3 12 . 4.400 56.798 14.329 1.00 50.85 ? N GLU A 12 1 -ATOM 1286 C CA . GLU E 3 12 . 3.323 57.779 14.333 1.00 49.39 ? CA GLU A 12 1 -ATOM 1287 C C . GLU E 3 12 . 3.464 58.617 15.594 1.00 48.42 ? C GLU A 12 1 -ATOM 1288 O O . GLU E 3 12 . 3.225 59.827 15.559 1.00 49.37 ? O GLU A 12 1 -ATOM 1289 C CB . GLU E 3 12 . 1.938 57.119 14.341 1.00 45.68 ? CB GLU A 12 1 -ATOM 1290 C CG . GLU E 3 12 . 1.673 56.066 13.283 1.00 50.07 ? CG GLU A 12 1 -ATOM 1291 C CD . GLU E 3 12 . 2.090 54.670 13.730 1.00 53.41 ? CD GLU A 12 1 -ATOM 1292 O OE1 . GLU E 3 12 . 1.184 53.844 14.003 1.00 55 ? OE1 GLU A 12 1 -ATOM 1293 O OE2 . GLU E 3 12 . 3.310 54.397 13.809 1.00 44.63 ? OE2 GLU A 12 1 -ATOM 1294 N N . TRP E 3 13 . 3.839 57.968 16.704 1.00 45.38 ? N TRP A 13 1 -ATOM 1295 C CA . TRP E 3 13 . 4.074 58.684 17.957 1.00 43.86 ? CA TRP A 13 1 -ATOM 1296 C C . TRP E 3 13 . 5.007 59.848 17.597 1.00 45.13 ? C TRP A 13 1 -ATOM 1297 O O . TRP E 3 13 . 4.818 61.022 17.981 1.00 39.27 ? O TRP A 13 1 -ATOM 1298 C CB . TRP E 3 13 . 4.753 57.763 18.998 1.00 39.96 ? CB TRP A 13 1 -ATOM 1299 C CG . TRP E 3 13 . 5.078 58.541 20.211 1.00 36.61 ? CG TRP A 13 1 -ATOM 1300 C CD1 . TRP E 3 13 . 4.186 59.088 21.082 1.00 29.86 ? CD1 TRP A 13 1 -ATOM 1301 C CD2 . TRP E 3 13 . 6.380 58.964 20.640 1.00 32.23 ? CD2 TRP A 13 1 -ATOM 1302 N NE1 . TRP E 3 13 . 4.851 59.837 22.007 1.00 36.47 ? NE1 TRP A 13 1 -ATOM 1303 C CE2 . TRP E 3 13 . 6.199 59.778 21.758 1.00 33.72 ? CE2 TRP A 13 1 -ATOM 1304 C CE3 . TRP E 3 13 . 7.681 58.740 20.173 1.00 36.93 ? CE3 TRP A 13 1 -ATOM 1305 C CZ2 . TRP E 3 13 . 7.274 60.372 22.430 1.00 38.16 ? CZ2 TRP A 13 1 -ATOM 1306 C CZ3 . TRP E 3 13 . 8.750 59.329 20.837 1.00 34.21 ? CZ3 TRP A 13 1 -ATOM 1307 C CH2 . TRP E 3 13 . 8.538 60.134 21.948 1.00 37.51 ? CH2 TRP A 13 1 -ATOM 1308 N N . PHE E 3 14 . 6.008 59.469 16.811 1.00 45.34 ? N PHE A 14 1 -ATOM 1309 C CA . PHE E 3 14 . 7.007 60.371 16.256 1.00 46.89 ? CA PHE A 14 1 -ATOM 1310 C C . PHE E 3 14 . 6.349 61.489 15.381 1.00 43.87 ? C PHE A 14 1 -ATOM 1311 O O . PHE E 3 14 . 6.315 62.645 15.809 1.00 42.96 ? O PHE A 14 1 -ATOM 1312 C CB . PHE E 3 14 . 8.006 59.501 15.447 1.00 43.26 ? CB PHE A 14 1 -ATOM 1313 C CG . PHE E 3 14 . 8.946 60.270 14.577 1.00 37.28 ? CG PHE A 14 1 -ATOM 1314 C CD1 . PHE E 3 14 . 10.274 60.392 14.922 1.00 33.31 ? CD1 PHE A 14 1 -ATOM 1315 C CD2 . PHE E 3 14 . 8.497 60.868 13.413 1.00 34.21 ? CD2 PHE A 14 1 -ATOM 1316 C CE1 . PHE E 3 14 . 11.139 61.105 14.117 1.00 35.28 ? CE1 PHE A 14 1 -ATOM 1317 C CE2 . PHE E 3 14 . 9.363 61.582 12.610 1.00 36.36 ? CE2 PHE A 14 1 -ATOM 1318 C CZ . PHE E 3 14 . 10.688 61.701 12.967 1.00 28.58 ? CZ PHE A 14 1 -ATOM 1319 N N . LEU E 3 15 . 5.818 61.161 14.197 1.00 36.46 ? N LEU A 15 1 -ATOM 1320 C CA . LEU E 3 15 . 5.219 62.180 13.324 1.00 40.53 ? CA LEU A 15 1 -ATOM 1321 C C . LEU E 3 15 . 4.239 63.082 14.101 1.00 39.5 ? C LEU A 15 1 -ATOM 1322 O O . LEU E 3 15 . 4.209 64.303 13.927 1.00 35.01 ? O LEU A 15 1 -ATOM 1323 C CB . LEU E 3 15 . 4.453 61.535 12.142 1.00 38.33 ? CB LEU A 15 1 -ATOM 1324 C CG . LEU E 3 15 . 5.128 61.048 10.828 1.00 39.33 ? CG LEU A 15 1 -ATOM 1325 C CD1 . LEU E 3 15 . 6.073 59.848 11.004 1.00 34.09 ? CD1 LEU A 15 1 -ATOM 1326 C CD2 . LEU E 3 15 . 3.956 60.627 9.910 1.00 30 ? CD2 LEU A 15 1 -ATOM 1327 N N . SER E 3 16 . 3.448 62.505 14.987 1.00 39.44 ? N SER A 16 1 -ATOM 1328 C CA . SER E 3 16 . 2.518 63.328 15.727 1.00 41.31 ? CA SER A 16 1 -ATOM 1329 C C . SER E 3 16 . 3.234 64.413 16.568 1.00 39.87 ? C SER A 16 1 -ATOM 1330 O O . SER E 3 16 . 2.585 65.272 17.150 1.00 45.16 ? O SER A 16 1 -ATOM 1331 C CB . SER E 3 16 . 1.662 62.395 16.601 1.00 46.58 ? CB SER A 16 1 -ATOM 1332 O OG . SER E 3 16 . 2.422 61.481 17.397 1.00 49.64 ? OG SER A 16 1 -ATOM 1333 N N . HIS E 3 17 . 4.567 64.357 16.612 1.00 39.83 ? N HIS A 17 1 -ATOM 1334 C CA . HIS E 3 17 . 5.494 65.281 17.319 1.00 40.97 ? CA HIS A 17 1 -ATOM 1335 C C . HIS E 3 17 . 6.246 66.135 16.299 1.00 41.79 ? C HIS A 17 1 -ATOM 1336 O O . HIS E 3 17 . 6.967 67.087 16.627 1.00 35.53 ? O HIS A 17 1 -ATOM 1337 C CB . HIS E 3 17 . 6.595 64.549 18.101 1.00 50.69 ? CB HIS A 17 1 -ATOM 1338 C CG . HIS E 3 17 . 6.293 64.266 19.539 1.00 48.46 ? CG HIS A 17 1 -ATOM 1339 N ND1 . HIS E 3 17 . 6.935 64.927 20.565 1.00 44.43 ? ND1 HIS A 17 1 -ATOM 1340 C CD2 . HIS E 3 17 . 5.466 63.368 20.124 1.00 43.77 ? CD2 HIS A 17 1 -ATOM 1341 C CE1 . HIS E 3 17 . 6.520 64.445 21.724 1.00 51.84 ? CE1 HIS A 17 1 -ATOM 1342 N NE2 . HIS E 3 17 . 5.630 63.498 21.484 1.00 48.72 ? NE2 HIS A 17 1 -ATOM 1343 N N . CYS E 3 18 . 6.161 65.677 15.068 1.00 40.25 ? N CYS A 18 1 -ATOM 1344 C CA . CYS E 3 18 . 6.811 66.297 13.953 1.00 42.07 ? CA CYS A 18 1 -ATOM 1345 C C . CYS E 3 18 . 5.923 67.302 13.279 1.00 45.28 ? C CYS A 18 1 -ATOM 1346 O O . CYS E 3 18 . 4.756 67.489 13.635 1.00 47.68 ? O CYS A 18 1 -ATOM 1347 C CB . CYS E 3 18 . 7.204 65.250 12.944 1.00 35.09 ? CB CYS A 18 1 -ATOM 1348 S SG . CYS E 3 18 . 8.937 65.027 12.939 1.00 43.22 ? SG CYS A 18 1 -ATOM 1349 N N . HIS E 3 19 . 6.508 67.928 12.268 1.00 48.59 ? N HIS A 19 1 -ATOM 1350 C CA . HIS E 3 19 . 5.824 68.896 11.447 1.00 48.73 ? CA HIS A 19 1 -ATOM 1351 C C . HIS E 3 19 . 6.272 68.764 9.993 1.00 46.16 ? C HIS A 19 1 -ATOM 1352 O O . HIS E 3 19 . 7.434 69.021 9.612 1.00 34.73 ? O HIS A 19 1 -ATOM 1353 C CB . HIS E 3 19 . 6.095 70.312 11.978 1.00 50.3 ? CB HIS A 19 1 -ATOM 1354 C CG . HIS E 3 19 . 7.468 70.517 12.543 1.00 53.51 ? CG HIS A 19 1 -ATOM 1355 N ND1 . HIS E 3 19 . 8.552 70.886 11.773 1.00 55 ? ND1 HIS A 19 1 -ATOM 1356 C CD2 . HIS E 3 19 . 7.919 70.438 13.819 1.00 50.77 ? CD2 HIS A 19 1 -ATOM 1357 C CE1 . HIS E 3 19 . 9.611 71.032 12.556 1.00 52.85 ? CE1 HIS A 19 1 -ATOM 1358 N NE2 . HIS E 3 19 . 9.254 70.765 13.798 1.00 48.71 ? NE2 HIS A 19 1 -ATOM 1359 N N . ILE E 3 20 . 5.290 68.311 9.220 1.00 37.32 ? N ILE A 20 1 -ATOM 1360 C CA . ILE E 3 20 . 5.394 68.061 7.795 1.00 39.29 ? CA ILE A 20 1 -ATOM 1361 C C . ILE E 3 20 . 5.763 69.335 7.001 1.00 41.39 ? C ILE A 20 1 -ATOM 1362 O O . ILE E 3 20 . 5.781 70.441 7.549 1.00 37.73 ? O ILE A 20 1 -ATOM 1363 C CB . ILE E 3 20 . 4.026 67.474 7.300 1.00 34.82 ? CB ILE A 20 1 -ATOM 1364 C CG1 . ILE E 3 20 . 3.897 66.043 7.802 1.00 31.81 ? CG1 ILE A 20 1 -ATOM 1365 C CG2 . ILE E 3 20 . 3.923 67.486 5.809 1.00 30.47 ? CG2 ILE A 20 1 -ATOM 1366 C CD1 . ILE E 3 20 . 3.842 65.955 9.295 1.00 34.02 ? CD1 ILE A 20 1 -ATOM 1367 N N . HIS E 3 21 . 6.095 69.137 5.726 1.00 43.94 ? N HIS A 21 1 -ATOM 1368 C CA . HIS E 3 21 . 6.392 70.178 4.740 1.00 46.4 ? CA HIS A 21 1 -ATOM 1369 C C . HIS E 3 21 . 6.383 69.559 3.345 1.00 43.38 ? C HIS A 21 1 -ATOM 1370 O O . HIS E 3 21 . 6.986 68.518 3.103 1.00 48.89 ? O HIS A 21 1 -ATOM 1371 C CB . HIS E 3 21 . 7.764 70.824 4.993 1.00 41.6 ? CB HIS A 21 1 -ATOM 1372 C CG . HIS E 3 21 . 7.742 71.921 6.017 1.00 47.02 ? CG HIS A 21 1 -ATOM 1373 N ND1 . HIS E 3 21 . 6.572 72.492 6.475 1.00 55 ? ND1 HIS A 21 1 -ATOM 1374 C CD2 . HIS E 3 21 . 8.746 72.571 6.650 1.00 51.14 ? CD2 HIS A 21 1 -ATOM 1375 C CE1 . HIS E 3 21 . 6.854 73.448 7.342 1.00 53.19 ? CE1 HIS A 21 1 -ATOM 1376 N NE2 . HIS E 3 21 . 8.167 73.515 7.467 1.00 55 ? NE2 HIS A 21 1 -ATOM 1377 N N . LYS E 3 22 . 5.636 70.198 2.454 1.00 42.96 ? N LYS A 22 1 -ATOM 1378 C CA . LYS E 3 22 . 5.471 69.786 1.065 1.00 41.6 ? CA LYS A 22 1 -ATOM 1379 C C . LYS E 3 22 . 6.516 70.492 0.188 1.00 40.47 ? C LYS A 22 1 -ATOM 1380 O O . LYS E 3 22 . 6.629 71.729 0.228 1.00 39.52 ? O LYS A 22 1 -ATOM 1381 C CB . LYS E 3 22 . 4.061 70.155 0.609 1.00 45.46 ? CB LYS A 22 1 -ATOM 1382 C CG . LYS E 3 22 . 3.714 69.847 -0.848 1.00 46.46 ? CG LYS A 22 1 -ATOM 1383 C CD . LYS E 3 22 . 2.393 70.536 -1.238 1.00 45.44 ? CD LYS A 22 1 -ATOM 1384 C CE . LYS E 3 22 . 2.526 72.064 -1.438 1.00 44.76 ? CE LYS A 22 1 -ATOM 1385 N NZ . LYS E 3 22 . 1.169 72.693 -1.504 1.00 48.13 ? NZ LYS A 22 1 -ATOM 1386 N N . TYR E 3 23 . 7.281 69.698 -0.566 1.00 32.15 ? N TYR A 23 1 -ATOM 1387 C CA . TYR E 3 23 . 8.305 70.188 -1.475 1.00 26.93 ? CA TYR A 23 1 -ATOM 1388 C C . TYR E 3 23 . 7.986 69.795 -2.898 1.00 29.4 ? C TYR A 23 1 -ATOM 1389 O O . TYR E 3 23 . 7.261 68.849 -3.110 1.00 40.19 ? O TYR A 23 1 -ATOM 1390 C CB . TYR E 3 23 . 9.636 69.600 -1.147 1.00 35.11 ? CB TYR A 23 1 -ATOM 1391 C CG . TYR E 3 23 . 10.246 70.141 0.081 1.00 46.49 ? CG TYR A 23 1 -ATOM 1392 C CD1 . TYR E 3 23 . 10.549 69.297 1.133 1.00 48.26 ? CD1 TYR A 23 1 -ATOM 1393 C CD2 . TYR E 3 23 . 10.575 71.487 0.178 1.00 41.35 ? CD2 TYR A 23 1 -ATOM 1394 C CE1 . TYR E 3 23 . 11.173 69.768 2.253 1.00 47.73 ? CE1 TYR A 23 1 -ATOM 1395 C CE2 . TYR E 3 23 . 11.198 71.970 1.293 1.00 45.86 ? CE2 TYR A 23 1 -ATOM 1396 C CZ . TYR E 3 23 . 11.499 71.100 2.328 1.00 45.09 ? CZ TYR A 23 1 -ATOM 1397 O OH . TYR E 3 23 . 12.158 71.538 3.447 1.00 54.73 ? OH TYR A 23 1 -ATOM 1398 N N . PRO E 3 24 . 8.519 70.505 -3.892 1.00 28.77 ? N PRO A 24 1 -ATOM 1399 C CA . PRO E 3 24 . 8.359 70.105 -5.284 1.00 32.12 ? CA PRO A 24 1 -ATOM 1400 C C . PRO E 3 24 . 9.661 69.524 -5.850 1.00 37.05 ? C PRO A 24 1 -ATOM 1401 O O . PRO E 3 24 . 10.722 69.687 -5.251 1.00 35.29 ? O PRO A 24 1 -ATOM 1402 C CB . PRO E 3 24 . 7.907 71.396 -5.955 1.00 29.14 ? CB PRO A 24 1 -ATOM 1403 C CG . PRO E 3 24 . 7.927 72.443 -4.811 1.00 25.38 ? CG PRO A 24 1 -ATOM 1404 C CD . PRO E 3 24 . 8.971 71.906 -3.896 1.00 34.82 ? CD PRO A 24 1 -ATOM 1405 N N . SER E 3 25 . 9.580 68.888 -7.023 1.00 35.44 ? N SER A 25 1 -ATOM 1406 C CA . SER E 3 25 . 10.746 68.289 -7.690 1.00 36.35 ? CA SER A 25 1 -ATOM 1407 C C . SER E 3 25 . 11.931 69.226 -7.728 1.00 34.98 ? C SER A 25 1 -ATOM 1408 O O . SER E 3 25 . 11.780 70.419 -7.594 1.00 40.3 ? O SER A 25 1 -ATOM 1409 C CB . SER E 3 25 . 10.446 67.919 -9.149 1.00 36.05 ? CB SER A 25 1 -ATOM 1410 O OG . SER E 3 25 . 9.524 66.849 -9.298 1.00 38.54 ? OG SER A 25 1 -ATOM 1411 N N . LYS E 3 26 . 13.110 68.652 -7.898 1.00 38.91 ? N LYS A 26 1 -ATOM 1412 C CA . LYS E 3 26 . 14.361 69.379 -8.066 1.00 43.4 ? CA LYS A 26 1 -ATOM 1413 C C . LYS E 3 26 . 14.684 70.381 -6.960 1.00 42.65 ? C LYS A 26 1 -ATOM 1414 O O . LYS E 3 26 . 15.727 71.030 -7.032 1.00 44.39 ? O LYS A 26 1 -ATOM 1415 C CB . LYS E 3 26 . 14.326 70.102 -9.419 1.00 48.32 ? CB LYS A 26 1 -ATOM 1416 C CG . LYS E 3 26 . 13.773 69.185 -10.538 1.00 55 ? CG LYS A 26 1 -ATOM 1417 C CD . LYS E 3 26 . 13.659 69.842 -11.912 1.00 55 ? CD LYS A 26 1 -ATOM 1418 C CE . LYS E 3 26 . 12.983 68.907 -12.927 1.00 52.54 ? CE LYS A 26 1 -ATOM 1419 N NZ . LYS E 3 26 . 11.515 68.689 -12.681 1.00 50.27 ? NZ LYS A 26 1 -ATOM 1420 N N . SER E 3 27 . 13.842 70.518 -5.938 1.00 44.08 ? N SER A 27 1 -ATOM 1421 C CA . SER E 3 27 . 14.147 71.491 -4.890 1.00 45.04 ? CA SER A 27 1 -ATOM 1422 C C . SER E 3 27 . 15.132 70.934 -3.855 1.00 42.88 ? C SER A 27 1 -ATOM 1423 O O . SER E 3 27 . 14.901 69.883 -3.271 1.00 48.86 ? O SER A 27 1 -ATOM 1424 C CB . SER E 3 27 . 12.841 71.941 -4.193 1.00 48.09 ? CB SER A 27 1 -ATOM 1425 O OG . SER E 3 27 . 12.187 70.914 -3.474 1.00 50.03 ? OG SER A 27 1 -ATOM 1426 N N . THR E 3 28 . 16.234 71.652 -3.646 1.00 38.52 ? N THR A 28 1 -ATOM 1427 C CA . THR E 3 28 . 17.302 71.277 -2.717 1.00 33.94 ? CA THR A 28 1 -ATOM 1428 C C . THR E 3 28 . 16.951 71.447 -1.231 1.00 33.13 ? C THR A 28 1 -ATOM 1429 O O . THR E 3 28 . 17.212 72.513 -0.654 1.00 25.29 ? O THR A 28 1 -ATOM 1430 C CB . THR E 3 28 . 18.520 72.094 -3.033 1.00 24.84 ? CB THR A 28 1 -ATOM 1431 O OG1 . THR E 3 28 . 18.094 73.307 -3.655 1.00 25.04 ? OG1 THR A 28 1 -ATOM 1432 C CG2 . THR E 3 28 . 19.459 71.330 -3.988 1.00 36.26 ? CG2 THR A 28 1 -ATOM 1433 N N . LEU E 3 29 . 16.406 70.376 -0.637 1.00 19.29 ? N LEU A 29 1 -ATOM 1434 C CA . LEU E 3 29 . 15.966 70.320 0.747 1.00 13.31 ? CA LEU A 29 1 -ATOM 1435 C C . LEU E 3 29 . 17.042 70.645 1.806 1.00 14.48 ? C LEU A 29 1 -ATOM 1436 O O . LEU E 3 29 . 16.647 71.213 2.819 1.00 17.2 ? O LEU A 29 1 -ATOM 1437 C CB . LEU E 3 29 . 15.390 68.945 1.007 1.00 10.9 ? CB LEU A 29 1 -ATOM 1438 C CG . LEU E 3 29 . 14.463 68.503 -0.145 1.00 15.99 ? CG LEU A 29 1 -ATOM 1439 C CD1 . LEU E 3 29 . 13.659 67.337 0.302 1.00 16.93 ? CD1 LEU A 29 1 -ATOM 1440 C CD2 . LEU E 3 29 . 13.484 69.552 -0.501 1.00 21.7 ? CD2 LEU A 29 1 -ATOM 1441 N N . ILE E 3 30 . 18.350 70.363 1.580 1.00 6.4 ? N ILE A 30 1 -ATOM 1442 C CA . ILE E 3 30 . 19.481 70.651 2.529 1.00 6 ? CA ILE A 30 1 -ATOM 1443 C C . ILE E 3 30 . 20.685 71.177 1.727 1.00 7.34 ? C ILE A 30 1 -ATOM 1444 O O . ILE E 3 30 . 20.682 70.918 0.536 1.00 20.38 ? O ILE A 30 1 -ATOM 1445 C CB . ILE E 3 30 . 19.889 69.335 3.292 1.00 7.78 ? CB ILE A 30 1 -ATOM 1446 C CG1 . ILE E 3 30 . 18.765 68.949 4.218 1.00 6 ? CG1 ILE A 30 1 -ATOM 1447 C CG2 . ILE E 3 30 . 21.148 69.512 4.092 1.00 6 ? CG2 ILE A 30 1 -ATOM 1448 C CD1 . ILE E 3 30 . 18.970 67.594 4.806 1.00 18.06 ? CD1 ILE A 30 1 -ATOM 1449 N N . HIS E 3 31 . 21.712 71.863 2.261 1.00 6 ? N HIS A 31 1 -ATOM 1450 C CA . HIS E 3 31 . 22.828 72.336 1.367 1.00 6 ? CA HIS A 31 1 -ATOM 1451 C C . HIS E 3 31 . 24.172 72.194 2.035 1.00 7.49 ? C HIS A 31 1 -ATOM 1452 O O . HIS E 3 31 . 24.260 72.538 3.182 1.00 26.83 ? O HIS A 31 1 -ATOM 1453 C CB . HIS E 3 31 . 22.624 73.788 1.009 1.00 23.36 ? CB HIS A 31 1 -ATOM 1454 C CG . HIS E 3 31 . 21.309 74.073 0.361 1.00 28.04 ? CG HIS A 31 1 -ATOM 1455 N ND1 . HIS E 3 31 . 20.107 73.878 1.006 1.00 29.13 ? ND1 HIS A 31 1 -ATOM 1456 C CD2 . HIS E 3 31 . 21.007 74.543 -0.871 1.00 24.71 ? CD2 HIS A 31 1 -ATOM 1457 C CE1 . HIS E 3 31 . 19.116 74.215 0.199 1.00 32.34 ? CE1 HIS A 31 1 -ATOM 1458 N NE2 . HIS E 3 31 . 19.637 74.621 -0.947 1.00 33.23 ? NE2 HIS A 31 1 -ATOM 1459 N N . GLN E 3 32 . 25.231 71.811 1.329 1.00 17.63 ? N GLN A 32 1 -ATOM 1460 C CA . GLN E 3 32 . 26.532 71.427 1.956 1.00 25.34 ? CA GLN A 32 1 -ATOM 1461 C C . GLN E 3 32 . 27.324 72.622 2.574 1.00 33.05 ? C GLN A 32 1 -ATOM 1462 O O . GLN E 3 32 . 28.359 73.073 2.017 1.00 36.48 ? O GLN A 32 1 -ATOM 1463 C CB . GLN E 3 32 . 27.485 70.752 0.948 1.00 22.58 ? CB GLN A 32 1 -ATOM 1464 C CG . GLN E 3 32 . 28.828 70.391 1.590 1.00 19.58 ? CG GLN A 32 1 -ATOM 1465 C CD . GLN E 3 32 . 29.864 69.858 0.642 1.00 33.4 ? CD GLN A 32 1 -ATOM 1466 O OE1 . GLN E 3 32 . 29.568 69.203 -0.371 1.00 30.23 ? OE1 GLN A 32 1 -ATOM 1467 N NE2 . GLN E 3 32 . 31.118 70.132 0.973 1.00 34.65 ? NE2 GLN A 32 1 -ATOM 1468 N N . GLY E 3 33 . 26.924 73.052 3.775 1.00 43.34 ? N GLY A 33 1 -ATOM 1469 C CA . GLY E 3 33 . 27.665 74.087 4.511 1.00 40.74 ? CA GLY A 33 1 -ATOM 1470 C C . GLY E 3 33 . 26.950 74.577 5.773 1.00 36.94 ? C GLY A 33 1 -ATOM 1471 O O . GLY E 3 33 . 27.582 74.917 6.789 1.00 38.11 ? O GLY A 33 1 -ATOM 1472 N N . GLU E 3 34 . 25.622 74.583 5.685 1.00 30.01 ? N GLU A 34 1 -ATOM 1473 C CA . GLU E 3 34 . 24.758 75.094 6.719 1.00 30.03 ? CA GLU A 34 1 -ATOM 1474 C C . GLU E 3 34 . 24.793 74.245 7.942 1.00 35.11 ? C GLU A 34 1 -ATOM 1475 O O . GLU E 3 34 . 25.306 73.137 7.881 1.00 39.63 ? O GLU A 34 1 -ATOM 1476 C CB . GLU E 3 34 . 23.369 75.199 6.143 1.00 28.77 ? CB GLU A 34 1 -ATOM 1477 C CG . GLU E 3 34 . 23.443 76.116 4.917 1.00 36.46 ? CG GLU A 34 1 -ATOM 1478 C CD . GLU E 3 34 . 22.106 76.575 4.396 1.00 42.77 ? CD GLU A 34 1 -ATOM 1479 O OE1 . GLU E 3 34 . 22.088 77.175 3.295 1.00 37.62 ? OE1 GLU A 34 1 -ATOM 1480 O OE2 . GLU E 3 34 . 21.089 76.341 5.091 1.00 43.2 ? OE2 GLU A 34 1 -ATOM 1481 N N . LYS E 3 35 . 24.295 74.786 9.056 1.00 26.7 ? N LYS A 35 1 -ATOM 1482 C CA . LYS E 3 35 . 24.335 74.085 10.336 1.00 26.96 ? CA LYS A 35 1 -ATOM 1483 C C . LYS E 3 35 . 23.241 73.049 10.512 1.00 32.69 ? C LYS A 35 1 -ATOM 1484 O O . LYS E 3 35 . 22.077 73.331 10.240 1.00 37 ? O LYS A 35 1 -ATOM 1485 C CB . LYS E 3 35 . 24.244 75.089 11.485 1.00 42.35 ? CB LYS A 35 1 -ATOM 1486 C CG . LYS E 3 35 . 25.571 75.562 12.101 1.00 42.72 ? CG LYS A 35 1 -ATOM 1487 C CD . LYS E 3 35 . 26.516 76.176 11.096 1.00 46.67 ? CD LYS A 35 1 -ATOM 1488 C CE . LYS E 3 35 . 27.373 75.155 10.344 1.00 52.49 ? CE LYS A 35 1 -ATOM 1489 N NZ . LYS E 3 35 . 28.418 74.537 11.250 1.00 55 ? NZ LYS A 35 1 -ATOM 1490 N N . ALA E 3 36 . 23.628 71.851 10.964 1.00 33.84 ? N ALA A 36 1 -ATOM 1491 C CA . ALA E 3 36 . 22.678 70.757 11.186 1.00 27.47 ? CA ALA A 36 1 -ATOM 1492 C C . ALA E 3 36 . 22.014 70.968 12.555 1.00 24.01 ? C ALA A 36 1 -ATOM 1493 O O . ALA E 3 36 . 22.718 71.151 13.551 1.00 6.55 ? O ALA A 36 1 -ATOM 1494 C CB . ALA E 3 36 . 23.432 69.445 11.131 1.00 6 ? CB ALA A 36 1 -ATOM 1495 N N . GLU E 3 37 . 20.676 70.898 12.601 1.00 24.57 ? N GLU A 37 1 -ATOM 1496 C CA . GLU E 3 37 . 19.877 71.172 13.806 1.00 27.42 ? CA GLU A 37 1 -ATOM 1497 C C . GLU E 3 37 . 18.461 70.570 13.745 1.00 31.32 ? C GLU A 37 1 -ATOM 1498 O O . GLU E 3 37 . 17.750 70.582 14.751 1.00 37 ? O GLU A 37 1 -ATOM 1499 C CB . GLU E 3 37 . 19.762 72.674 13.982 1.00 32.59 ? CB GLU A 37 1 -ATOM 1500 C CG . GLU E 3 37 . 18.775 73.254 12.954 1.00 36.79 ? CG GLU A 37 1 -ATOM 1501 C CD . GLU E 3 37 . 18.909 72.639 11.550 1.00 34.96 ? CD GLU A 37 1 -ATOM 1502 O OE1 . GLU E 3 37 . 20.009 72.580 10.957 1.00 34.45 ? OE1 GLU A 37 1 -ATOM 1503 O OE2 . GLU E 3 37 . 17.891 72.185 11.022 1.00 34.02 ? OE2 GLU A 37 1 -ATOM 1504 N N . THR E 3 38 . 18.061 70.099 12.561 1.00 31.87 ? N THR A 38 1 -ATOM 1505 C CA . THR E 3 38 . 16.763 69.450 12.254 1.00 27.46 ? CA THR A 38 1 -ATOM 1506 C C . THR E 3 38 . 17.103 68.080 11.662 1.00 21.46 ? C THR A 38 1 -ATOM 1507 O O . THR E 3 38 . 18.174 67.900 11.109 1.00 20.91 ? O THR A 38 1 -ATOM 1508 C CB . THR E 3 38 . 15.916 70.235 11.170 1.00 33.31 ? CB THR A 38 1 -ATOM 1509 O OG1 . THR E 3 38 . 15.691 71.560 11.632 1.00 36.18 ? OG1 THR A 38 1 -ATOM 1510 C CG2 . THR E 3 38 . 14.556 69.610 10.933 1.00 39.15 ? CG2 THR A 38 1 -ATOM 1511 N N . LEU E 3 39 . 16.175 67.149 11.736 1.00 14.76 ? N LEU A 39 1 -ATOM 1512 C CA . LEU E 3 39 . 16.364 65.794 11.292 1.00 18.37 ? CA LEU A 39 1 -ATOM 1513 C C . LEU E 3 39 . 15.127 65.494 10.543 1.00 23.98 ? C LEU A 39 1 -ATOM 1514 O O . LEU E 3 39 . 14.094 65.347 11.161 1.00 30.72 ? O LEU A 39 1 -ATOM 1515 C CB . LEU E 3 39 . 16.504 64.852 12.500 1.00 24.33 ? CB LEU A 39 1 -ATOM 1516 C CG . LEU E 3 39 . 16.183 63.373 12.289 1.00 27.54 ? CG LEU A 39 1 -ATOM 1517 C CD1 . LEU E 3 39 . 17.306 62.675 11.568 1.00 32.63 ? CD1 LEU A 39 1 -ATOM 1518 C CD2 . LEU E 3 39 . 15.996 62.735 13.609 1.00 30.74 ? CD2 LEU A 39 1 -ATOM 1519 N N . TYR E 3 40 . 15.208 65.437 9.218 1.00 26.1 ? N TYR A 40 1 -ATOM 1520 C CA . TYR E 3 40 . 14.026 65.199 8.385 1.00 26.88 ? CA TYR A 40 1 -ATOM 1521 C C . TYR E 3 40 . 13.616 63.740 8.387 1.00 25.83 ? C TYR A 40 1 -ATOM 1522 O O . TYR E 3 40 . 14.320 62.856 8.866 1.00 35.53 ? O TYR A 40 1 -ATOM 1523 C CB . TYR E 3 40 . 14.307 65.668 6.927 1.00 25.89 ? CB TYR A 40 1 -ATOM 1524 C CG . TYR E 3 40 . 14.768 67.120 6.856 1.00 31.74 ? CG TYR A 40 1 -ATOM 1525 C CD1 . TYR E 3 40 . 16.084 67.444 7.176 1.00 33.19 ? CD1 TYR A 40 1 -ATOM 1526 C CD2 . TYR E 3 40 . 13.894 68.166 6.501 1.00 23.12 ? CD2 TYR A 40 1 -ATOM 1527 C CE1 . TYR E 3 40 . 16.543 68.754 7.157 1.00 40.13 ? CE1 TYR A 40 1 -ATOM 1528 C CE2 . TYR E 3 40 . 14.347 69.497 6.481 1.00 30.05 ? CE2 TYR A 40 1 -ATOM 1529 C CZ . TYR E 3 40 . 15.688 69.784 6.814 1.00 39.57 ? CZ TYR A 40 1 -ATOM 1530 O OH . TYR E 3 40 . 16.232 71.069 6.805 1.00 43.94 ? OH TYR A 40 1 -ATOM 1531 N N . TYR E 3 41 . 12.473 63.512 7.783 1.00 18.85 ? N TYR A 41 1 -ATOM 1532 C CA . TYR E 3 41 . 11.884 62.195 7.647 1.00 17.23 ? CA TYR A 41 1 -ATOM 1533 C C . TYR E 3 41 . 11.000 62.260 6.388 1.00 20.33 ? C TYR A 41 1 -ATOM 1534 O O . TYR E 3 41 . 10.108 63.108 6.332 1.00 29.73 ? O TYR A 41 1 -ATOM 1535 C CB . TYR E 3 41 . 11.053 61.899 8.885 1.00 22.54 ? CB TYR A 41 1 -ATOM 1536 C CG . TYR E 3 41 . 10.404 60.566 8.775 1.00 23.25 ? CG TYR A 41 1 -ATOM 1537 C CD1 . TYR E 3 41 . 9.041 60.461 8.544 1.00 30.43 ? CD1 TYR A 41 1 -ATOM 1538 C CD2 . TYR E 3 41 . 11.149 59.405 8.846 1.00 28.35 ? CD2 TYR A 41 1 -ATOM 1539 C CE1 . TYR E 3 41 . 8.448 59.246 8.383 1.00 28.16 ? CE1 TYR A 41 1 -ATOM 1540 C CE2 . TYR E 3 41 . 10.558 58.182 8.685 1.00 26.29 ? CE2 TYR A 41 1 -ATOM 1541 C CZ . TYR E 3 41 . 9.214 58.115 8.451 1.00 26.78 ? CZ TYR A 41 1 -ATOM 1542 O OH . TYR E 3 41 . 8.613 56.899 8.245 1.00 40.04 ? OH TYR A 41 1 -ATOM 1543 N N . ILE E 3 42 . 11.223 61.384 5.407 1.00 25.22 ? N ILE A 42 1 -ATOM 1544 C CA . ILE E 3 42 . 10.508 61.418 4.113 1.00 29.55 ? CA ILE A 42 1 -ATOM 1545 C C . ILE E 3 42 . 9.097 60.766 4.072 1.00 30.5 ? C ILE A 42 1 -ATOM 1546 O O . ILE E 3 42 . 8.937 59.570 3.787 1.00 33.7 ? O ILE A 42 1 -ATOM 1547 C CB . ILE E 3 42 . 11.399 60.756 3.008 1.00 25.15 ? CB ILE A 42 1 -ATOM 1548 C CG1 . ILE E 3 42 . 12.791 61.393 2.982 1.00 27.91 ? CG1 ILE A 42 1 -ATOM 1549 C CG2 . ILE E 3 42 . 10.815 61.014 1.643 1.00 33.96 ? CG2 ILE A 42 1 -ATOM 1550 C CD1 . ILE E 3 42 . 13.620 60.983 1.766 1.00 21.39 ? CD1 ILE A 42 1 -ATOM 1551 N N . VAL E 3 43 . 8.067 61.573 4.305 1.00 25.63 ? N VAL A 43 1 -ATOM 1552 C CA . VAL E 3 43 . 6.711 61.072 4.319 1.00 24.7 ? CA VAL A 43 1 -ATOM 1553 C C . VAL E 3 43 . 6.400 60.453 2.991 1.00 26.36 ? C VAL A 43 1 -ATOM 1554 O O . VAL E 3 43 . 6.246 59.249 2.908 1.00 30.84 ? O VAL A 43 1 -ATOM 1555 C CB . VAL E 3 43 . 5.727 62.168 4.555 1.00 25.96 ? CB VAL A 43 1 -ATOM 1556 C CG1 . VAL E 3 43 . 4.342 61.560 4.745 1.00 31.89 ? CG1 VAL A 43 1 -ATOM 1557 C CG2 . VAL E 3 43 . 6.151 62.972 5.763 1.00 37.01 ? CG2 VAL A 43 1 -ATOM 1558 N N . LYS E 3 44 . 6.334 61.276 1.948 1.00 30.92 ? N LYS A 44 1 -ATOM 1559 C CA . LYS E 3 44 . 6.056 60.831 0.574 1.00 27.91 ? CA LYS A 44 1 -ATOM 1560 C C . LYS E 3 44 . 7.105 61.394 -0.353 1.00 31.55 ? C LYS A 44 1 -ATOM 1561 O O . LYS E 3 44 . 7.423 62.577 -0.232 1.00 37.24 ? O LYS A 44 1 -ATOM 1562 C CB . LYS E 3 44 . 4.689 61.324 0.116 1.00 33.1 ? CB LYS A 44 1 -ATOM 1563 C CG . LYS E 3 44 . 4.479 61.470 -1.403 1.00 39.56 ? CG LYS A 44 1 -ATOM 1564 C CD . LYS E 3 44 . 3.076 62.049 -1.709 1.00 43.2 ? CD LYS A 44 1 -ATOM 1565 C CE . LYS E 3 44 . 2.888 63.449 -1.052 1.00 51.21 ? CE LYS A 44 1 -ATOM 1566 N NZ . LYS E 3 44 . 1.512 64.075 -1.019 1.00 40.62 ? NZ LYS A 44 1 -ATOM 1567 N N . GLY E 3 45 . 7.669 60.545 -1.225 1.00 33.47 ? N GLY A 45 1 -ATOM 1568 C CA . GLY E 3 45 . 8.641 60.985 -2.223 1.00 33.84 ? CA GLY A 45 1 -ATOM 1569 C C . GLY E 3 45 . 10.026 60.354 -2.156 1.00 29.69 ? C GLY A 45 1 -ATOM 1570 O O . GLY E 3 45 . 10.291 59.471 -1.346 1.00 32.11 ? O GLY A 45 1 -ATOM 1571 N N . SER E 3 46 . 10.899 60.826 -3.043 1.00 16.92 ? N SER A 46 1 -ATOM 1572 C CA . SER E 3 46 . 12.294 60.422 -3.136 1.00 17.1 ? CA SER A 46 1 -ATOM 1573 C C . SER E 3 46 . 13.149 61.689 -3.264 1.00 15.96 ? C SER A 46 1 -ATOM 1574 O O . SER E 3 46 . 12.738 62.687 -3.893 1.00 20.03 ? O SER A 46 1 -ATOM 1575 C CB . SER E 3 46 . 12.548 59.564 -4.373 1.00 21.99 ? CB SER A 46 1 -ATOM 1576 O OG . SER E 3 46 . 11.518 58.611 -4.519 1.00 36 ? OG SER A 46 1 -ATOM 1577 N N . VAL E 3 47 . 14.357 61.602 -2.742 1.00 7.03 ? N VAL A 47 1 -ATOM 1578 C CA . VAL E 3 47 . 15.281 62.700 -2.706 1.00 6 ? CA VAL A 47 1 -ATOM 1579 C C . VAL E 3 47 . 16.665 62.189 -3.107 1.00 7.63 ? C VAL A 47 1 -ATOM 1580 O O . VAL E 3 47 . 16.897 60.989 -3.058 1.00 23.7 ? O VAL A 47 1 -ATOM 1581 C CB . VAL E 3 47 . 15.257 63.259 -1.282 1.00 17.01 ? CB VAL A 47 1 -ATOM 1582 C CG1 . VAL E 3 47 . 16.310 62.573 -0.442 1.00 18.43 ? CG1 VAL A 47 1 -ATOM 1583 C CG2 . VAL E 3 47 . 15.422 64.734 -1.334 1.00 27.34 ? CG2 VAL A 47 1 -ATOM 1584 N N . ALA E 3 48 . 17.598 63.039 -3.509 1.00 6.41 ? N ALA A 48 1 -ATOM 1585 C CA . ALA E 3 48 . 18.915 62.499 -3.868 1.00 7.21 ? CA ALA A 48 1 -ATOM 1586 C C . ALA E 3 48 . 20.034 63.166 -3.057 1.00 7.1 ? C ALA A 48 1 -ATOM 1587 O O . ALA E 3 48 . 20.008 64.340 -2.819 1.00 15.44 ? O ALA A 48 1 -ATOM 1588 C CB . ALA E 3 48 . 19.162 62.704 -5.362 1.00 9.69 ? CB ALA A 48 1 -ATOM 1589 N N . VAL E 3 49 . 21.006 62.412 -2.592 1.00 7.28 ? N VAL A 49 1 -ATOM 1590 C CA . VAL E 3 49 . 22.082 62.992 -1.825 1.00 6 ? CA VAL A 49 1 -ATOM 1591 C C . VAL E 3 49 . 23.231 63.077 -2.761 1.00 6 ? C VAL A 49 1 -ATOM 1592 O O . VAL E 3 49 . 23.531 62.076 -3.408 1.00 15.08 ? O VAL A 49 1 -ATOM 1593 C CB . VAL E 3 49 . 22.529 62.100 -0.605 1.00 6 ? CB VAL A 49 1 -ATOM 1594 C CG1 . VAL E 3 49 . 23.614 62.837 0.275 1.00 6.77 ? CG1 VAL A 49 1 -ATOM 1595 C CG2 . VAL E 3 49 . 21.350 61.778 0.210 1.00 6 ? CG2 VAL A 49 1 -ATOM 1596 N N . LEU E 3 50 . 23.882 64.231 -2.830 1.00 8.56 ? N LEU A 50 1 -ATOM 1597 C CA . LEU E 3 50 . 25.047 64.424 -3.708 1.00 9.23 ? CA LEU A 50 1 -ATOM 1598 C C . LEU E 3 50 . 25.957 65.530 -3.153 1.00 9.79 ? C LEU A 50 1 -ATOM 1599 O O . LEU E 3 50 . 25.537 66.375 -2.357 1.00 15.61 ? O LEU A 50 1 -ATOM 1600 C CB . LEU E 3 50 . 24.551 64.786 -5.113 1.00 12.64 ? CB LEU A 50 1 -ATOM 1601 C CG . LEU E 3 50 . 23.551 65.951 -5.265 1.00 13.96 ? CG LEU A 50 1 -ATOM 1602 C CD1 . LEU E 3 50 . 24.253 67.224 -5.680 1.00 15.34 ? CD1 LEU A 50 1 -ATOM 1603 C CD2 . LEU E 3 50 . 22.586 65.625 -6.337 1.00 11.99 ? CD2 LEU A 50 1 -ATOM 1604 N N . ILE E 3 51 . 27.212 65.472 -3.537 1.00 6 ? N ILE A 51 1 -ATOM 1605 C CA . ILE E 3 51 . 28.216 66.427 -3.141 1.00 11.11 ? CA ILE A 51 1 -ATOM 1606 C C . ILE E 3 51 . 28.655 67.136 -4.420 1.00 15.65 ? C ILE A 51 1 -ATOM 1607 O O . ILE E 3 51 . 28.068 66.920 -5.475 1.00 15.27 ? O ILE A 51 1 -ATOM 1608 C CB . ILE E 3 51 . 29.476 65.728 -2.475 1.00 17.15 ? CB ILE A 51 1 -ATOM 1609 C CG1 . ILE E 3 51 . 29.656 64.289 -3.023 1.00 14.36 ? CG1 ILE A 51 1 -ATOM 1610 C CG2 . ILE E 3 51 . 29.323 65.764 -0.992 1.00 23.73 ? CG2 ILE A 51 1 -ATOM 1611 C CD1 . ILE E 3 51 . 30.974 63.599 -2.695 1.00 6 ? CD1 ILE A 51 1 -ATOM 1612 N N . LYS E 3 52 . 29.693 67.959 -4.369 1.00 22.44 ? N LYS A 52 1 -ATOM 1613 C CA . LYS E 3 52 . 30.108 68.628 -5.596 1.00 20.38 ? CA LYS A 52 1 -ATOM 1614 C C . LYS E 3 52 . 31.587 68.725 -5.688 1.00 22.43 ? C LYS A 52 1 -ATOM 1615 O O . LYS E 3 52 . 32.302 68.658 -4.689 1.00 21.19 ? O LYS A 52 1 -ATOM 1616 C CB . LYS E 3 52 . 29.522 70.046 -5.682 1.00 28.41 ? CB LYS A 52 1 -ATOM 1617 C CG . LYS E 3 52 . 28.058 70.080 -6.134 1.00 31.04 ? CG LYS A 52 1 -ATOM 1618 C CD . LYS E 3 52 . 27.343 71.403 -5.920 1.00 36.18 ? CD LYS A 52 1 -ATOM 1619 C CE . LYS E 3 52 . 27.987 72.582 -6.629 1.00 41.84 ? CE LYS A 52 1 -ATOM 1620 N NZ . LYS E 3 52 . 27.030 73.730 -6.488 1.00 41.22 ? NZ LYS A 52 1 -ATOM 1621 N N . ASP E 3 53 . 32.008 68.837 -6.937 1.00 34.02 ? N ASP A 53 1 -ATOM 1622 C CA . ASP E 3 53 . 33.384 69.003 -7.350 1.00 40.67 ? CA ASP A 53 1 -ATOM 1623 C C . ASP E 3 53 . 33.751 70.462 -7.129 1.00 41.31 ? C ASP A 53 1 -ATOM 1624 O O . ASP E 3 53 . 32.881 71.326 -7.115 1.00 43.84 ? O ASP A 53 1 -ATOM 1625 C CB . ASP E 3 53 . 33.477 68.581 -8.823 1.00 47.56 ? CB ASP A 53 1 -ATOM 1626 C CG . ASP E 3 53 . 34.229 69.556 -9.693 1.00 51.22 ? CG ASP A 53 1 -ATOM 1627 O OD1 . ASP E 3 53 . 35.353 69.966 -9.336 1.00 55 ? OD1 ASP A 53 1 -ATOM 1628 O OD2 . ASP E 3 53 . 33.685 69.900 -10.761 1.00 52.6 ? OD2 ASP A 53 1 -ATOM 1629 N N . GLU E 3 54 . 35.036 70.744 -7.006 1.00 39.04 ? N GLU A 54 1 -ATOM 1630 C CA . GLU E 3 54 . 35.502 72.093 -6.731 1.00 43.86 ? CA GLU A 54 1 -ATOM 1631 C C . GLU E 3 54 . 34.884 73.156 -7.653 1.00 46.87 ? C GLU A 54 1 -ATOM 1632 O O . GLU E 3 54 . 34.958 74.366 -7.361 1.00 47.75 ? O GLU A 54 1 -ATOM 1633 C CB . GLU E 3 54 . 37.016 72.107 -6.852 1.00 45.27 ? CB GLU A 54 1 -ATOM 1634 C CG . GLU E 3 54 . 37.712 71.097 -5.923 1.00 50.95 ? CG GLU A 54 1 -ATOM 1635 C CD . GLU E 3 54 . 37.478 69.623 -6.307 1.00 51.54 ? CD GLU A 54 1 -ATOM 1636 O OE1 . GLU E 3 54 . 37.701 69.268 -7.490 1.00 48.23 ? OE1 GLU A 54 1 -ATOM 1637 O OE2 . GLU E 3 54 . 37.074 68.825 -5.427 1.00 54.62 ? OE2 GLU A 54 1 -ATOM 1638 N N . GLU E 3 55 . 34.269 72.694 -8.747 1.00 45.46 ? N GLU A 55 1 -ATOM 1639 C CA . GLU E 3 55 . 33.633 73.572 -9.719 1.00 42.78 ? CA GLU A 55 1 -ATOM 1640 C C . GLU E 3 55 . 32.198 73.153 -10.124 1.00 37.52 ? C GLU A 55 1 -ATOM 1641 O O . GLU E 3 55 . 31.670 73.617 -11.145 1.00 38.04 ? O GLU A 55 1 -ATOM 1642 C CB . GLU E 3 55 . 34.511 73.651 -10.982 1.00 45.25 ? CB GLU A 55 1 -ATOM 1643 C CG . GLU E 3 55 . 35.959 74.135 -10.752 1.00 53.87 ? CG GLU A 55 1 -ATOM 1644 C CD . GLU E 3 55 . 36.046 75.472 -10.019 1.00 49.85 ? CD GLU A 55 1 -ATOM 1645 O OE1 . GLU E 3 55 . 35.313 76.426 -10.387 1.00 48.93 ? OE1 GLU A 55 1 -ATOM 1646 O OE2 . GLU E 3 55 . 36.857 75.546 -9.068 1.00 51.97 ? OE2 GLU A 55 1 -ATOM 1647 N N . GLY E 3 56 . 31.555 72.273 -9.375 1.00 24.83 ? N GLY A 56 1 -ATOM 1648 C CA . GLY E 3 56 . 30.199 71.989 -9.762 1.00 24.43 ? CA GLY A 56 1 -ATOM 1649 C C . GLY E 3 56 . 29.922 70.586 -10.196 1.00 21.38 ? C GLY A 56 1 -ATOM 1650 O O . GLY E 3 56 . 28.780 70.191 -10.114 1.00 35.28 ? O GLY A 56 1 -ATOM 1651 N N . LYS E 3 57 . 30.884 69.822 -10.679 1.00 17.1 ? N LYS A 57 1 -ATOM 1652 C CA . LYS E 3 57 . 30.536 68.465 -11.059 1.00 12.63 ? CA LYS A 57 1 -ATOM 1653 C C . LYS E 3 57 . 29.951 67.777 -9.837 1.00 13.37 ? C LYS A 57 1 -ATOM 1654 O O . LYS E 3 57 . 30.558 67.721 -8.781 1.00 18.45 ? O LYS A 57 1 -ATOM 1655 C CB . LYS E 3 57 . 31.775 67.708 -11.537 1.00 25.65 ? CB LYS A 57 1 -ATOM 1656 C CG . LYS E 3 57 . 31.671 66.192 -11.770 1.00 37.17 ? CG LYS A 57 1 -ATOM 1657 C CD . LYS E 3 57 . 30.701 65.785 -12.899 1.00 49.62 ? CD LYS A 57 1 -ATOM 1658 C CE . LYS E 3 57 . 30.905 64.308 -13.371 1.00 47.06 ? CE LYS A 57 1 -ATOM 1659 N NZ . LYS E 3 57 . 30.004 63.900 -14.522 1.00 39.56 ? NZ LYS A 57 1 -ATOM 1660 N N . GLU E 3 58 . 28.727 67.311 -10.000 1.00 10.43 ? N GLU A 58 1 -ATOM 1661 C CA . GLU E 3 58 . 28.072 66.576 -8.966 1.00 11.37 ? CA GLU A 58 1 -ATOM 1662 C C . GLU E 3 58 . 28.541 65.125 -9.032 1.00 14.73 ? C GLU A 58 1 -ATOM 1663 O O . GLU E 3 58 . 29.151 64.735 -10.011 1.00 24.78 ? O GLU A 58 1 -ATOM 1664 C CB . GLU E 3 58 . 26.559 66.683 -9.166 1.00 25.3 ? CB GLU A 58 1 -ATOM 1665 C CG . GLU E 3 58 . 26.072 68.127 -9.195 1.00 29.25 ? CG GLU A 58 1 -ATOM 1666 C CD . GLU E 3 58 . 24.557 68.268 -9.137 1.00 36.69 ? CD GLU A 58 1 -ATOM 1667 O OE1 . GLU E 3 58 . 24.073 69.418 -9.133 1.00 36.06 ? OE1 GLU A 58 1 -ATOM 1668 O OE2 . GLU E 3 58 . 23.838 67.245 -9.077 1.00 40.91 ? OE2 GLU A 58 1 -ATOM 1669 N N . MET E 3 59 . 28.250 64.365 -7.981 1.00 9.85 ? N MET A 59 1 -ATOM 1670 C CA . MET E 3 59 . 28.563 62.946 -7.777 1.00 6 ? CA MET A 59 1 -ATOM 1671 C C . MET E 3 59 . 27.441 62.518 -6.871 1.00 7.8 ? C MET A 59 1 -ATOM 1672 O O . MET E 3 59 . 27.509 62.757 -5.683 1.00 27.55 ? O MET A 59 1 -ATOM 1673 C CB . MET E 3 59 . 29.885 62.741 -7.026 1.00 17.09 ? CB MET A 59 1 -ATOM 1674 C CG . MET E 3 59 . 30.725 61.395 -7.180 1.00 24.34 ? CG MET A 59 1 -ATOM 1675 S SD . MET E 3 59 . 29.955 59.781 -6.747 1.00 32.69 ? SD MET A 59 1 -ATOM 1676 C CE . MET E 3 59 . 30.903 58.743 -7.804 1.00 24.75 ? CE MET A 59 1 -ATOM 1677 N N . ILE E 3 60 . 26.345 61.996 -7.405 1.00 11.68 ? N ILE A 60 1 -ATOM 1678 C CA . ILE E 3 60 . 25.287 61.537 -6.520 1.00 8.06 ? CA ILE A 60 1 -ATOM 1679 C C . ILE E 3 60 . 25.776 60.408 -5.584 1.00 12.64 ? C ILE A 60 1 -ATOM 1680 O O . ILE E 3 60 . 26.314 59.405 -6.055 1.00 10.42 ? O ILE A 60 1 -ATOM 1681 C CB . ILE E 3 60 . 24.162 60.992 -7.290 1.00 7.69 ? CB ILE A 60 1 -ATOM 1682 C CG1 . ILE E 3 60 . 23.555 62.080 -8.158 1.00 6 ? CG1 ILE A 60 1 -ATOM 1683 C CG2 . ILE E 3 60 . 23.200 60.391 -6.325 1.00 8.49 ? CG2 ILE A 60 1 -ATOM 1684 C CD1 . ILE E 3 60 . 22.294 61.637 -8.806 1.00 6 ? CD1 ILE A 60 1 -ATOM 1685 N N . LEU E 3 61 . 25.606 60.576 -4.274 1.00 17.04 ? N LEU A 61 1 -ATOM 1686 C CA . LEU E 3 61 . 26.032 59.558 -3.287 1.00 14.85 ? CA LEU A 61 1 -ATOM 1687 C C . LEU E 3 61 . 25.047 58.442 -3.116 1.00 15.71 ? C LEU A 61 1 -ATOM 1688 O O . LEU E 3 61 . 25.488 57.314 -2.943 1.00 13.65 ? O LEU A 61 1 -ATOM 1689 C CB . LEU E 3 61 . 26.231 60.106 -1.869 1.00 7.01 ? CB LEU A 61 1 -ATOM 1690 C CG . LEU E 3 61 . 27.579 60.698 -1.564 1.00 9.87 ? CG LEU A 61 1 -ATOM 1691 C CD1 . LEU E 3 61 . 27.713 60.911 -0.077 1.00 6.62 ? CD1 LEU A 61 1 -ATOM 1692 C CD2 . LEU E 3 61 . 28.637 59.762 -2.054 1.00 11.64 ? CD2 LEU A 61 1 -ATOM 1693 N N . SER E 3 62 . 23.748 58.781 -3.081 1.00 13.52 ? N SER A 62 1 -ATOM 1694 C CA . SER E 3 62 . 22.621 57.837 -2.913 1.00 12.7 ? CA SER A 62 1 -ATOM 1695 C C . SER E 3 62 . 21.274 58.536 -3.104 1.00 14.27 ? C SER A 62 1 -ATOM 1696 O O . SER E 3 62 . 21.203 59.749 -3.002 1.00 21.89 ? O SER A 62 1 -ATOM 1697 C CB . SER E 3 62 . 22.678 57.216 -1.495 1.00 18.25 ? CB SER A 62 1 -ATOM 1698 O OG . SER E 3 62 . 21.555 56.392 -1.167 1.00 22.32 ? OG SER A 62 1 -ATOM 1699 N N . TYR E 3 63 . 20.211 57.803 -3.427 1.00 16.66 ? N TYR A 63 1 -ATOM 1700 C CA . TYR E 3 63 . 18.880 58.425 -3.463 1.00 17.17 ? CA TYR A 63 1 -ATOM 1701 C C . TYR E 3 63 . 18.262 57.974 -2.158 1.00 22.08 ? C TYR A 63 1 -ATOM 1702 O O . TYR E 3 63 . 18.661 56.939 -1.620 1.00 26.67 ? O TYR A 63 1 -ATOM 1703 C CB . TYR E 3 63 . 17.972 57.917 -4.611 1.00 25.46 ? CB TYR A 63 1 -ATOM 1704 C CG . TYR E 3 63 . 18.406 58.316 -6.006 1.00 26.6 ? CG TYR A 63 1 -ATOM 1705 C CD1 . TYR E 3 63 . 18.601 59.643 -6.354 1.00 27.88 ? CD1 TYR A 63 1 -ATOM 1706 C CD2 . TYR E 3 63 . 18.650 57.354 -6.977 1.00 29.79 ? CD2 TYR A 63 1 -ATOM 1707 C CE1 . TYR E 3 63 . 19.040 59.994 -7.643 1.00 30.6 ? CE1 TYR A 63 1 -ATOM 1708 C CE2 . TYR E 3 63 . 19.084 57.694 -8.262 1.00 30.5 ? CE2 TYR A 63 1 -ATOM 1709 C CZ . TYR E 3 63 . 19.280 59.008 -8.589 1.00 31.72 ? CZ TYR A 63 1 -ATOM 1710 O OH . TYR E 3 63 . 19.732 59.312 -9.854 1.00 23.33 ? OH TYR A 63 1 -ATOM 1711 N N . LEU E 3 64 . 17.295 58.717 -1.641 1.00 27.35 ? N LEU A 64 1 -ATOM 1712 C CA . LEU E 3 64 . 16.679 58.380 -0.365 1.00 26.74 ? CA LEU A 64 1 -ATOM 1713 C C . LEU E 3 64 . 15.184 58.367 -0.605 1.00 30.54 ? C LEU A 64 1 -ATOM 1714 O O . LEU E 3 64 . 14.690 59.340 -1.158 1.00 25.17 ? O LEU A 64 1 -ATOM 1715 C CB . LEU E 3 64 . 17.076 59.438 0.652 1.00 6.73 ? CB LEU A 64 1 -ATOM 1716 C CG . LEU E 3 64 . 17.895 59.013 1.845 1.00 6 ? CG LEU A 64 1 -ATOM 1717 C CD1 . LEU E 3 64 . 19.095 58.273 1.438 1.00 8.98 ? CD1 LEU A 64 1 -ATOM 1718 C CD2 . LEU E 3 64 . 18.322 60.189 2.555 1.00 6 ? CD2 LEU A 64 1 -ATOM 1719 N N . ASN E 3 65 . 14.477 57.292 -0.226 1.00 35.25 ? N ASN A 65 1 -ATOM 1720 C CA . ASN E 3 65 . 13.029 57.160 -0.498 1.00 30.63 ? CA ASN A 65 1 -ATOM 1721 C C . ASN E 3 65 . 12.106 57.385 0.730 1.00 28.38 ? C ASN A 65 1 -ATOM 1722 O O . ASN E 3 65 . 12.578 57.708 1.833 1.00 23.29 ? O ASN A 65 1 -ATOM 1723 C CB . ASN E 3 65 . 12.768 55.764 -1.093 1.00 29.39 ? CB ASN A 65 1 -ATOM 1724 C CG . ASN E 3 65 . 13.589 55.492 -2.353 1.00 22.64 ? CG ASN A 65 1 -ATOM 1725 O OD1 . ASN E 3 65 . 14.793 55.230 -2.286 1.00 22.55 ? OD1 ASN A 65 1 -ATOM 1726 N ND2 . ASN E 3 65 . 12.927 55.540 -3.508 1.00 21.44 ? ND2 ASN A 65 1 -ATOM 1727 N N . GLN E 3 66 . 10.794 57.196 0.562 1.00 22.94 ? N GLN A 66 1 -ATOM 1728 C CA . GLN E 3 66 . 9.914 57.467 1.680 1.00 22.12 ? CA GLN A 66 1 -ATOM 1729 C C . GLN E 3 66 . 10.164 56.488 2.766 1.00 27.93 ? C GLN A 66 1 -ATOM 1730 O O . GLN E 3 66 . 10.397 55.305 2.536 1.00 35.38 ? O GLN A 66 1 -ATOM 1731 C CB . GLN E 3 66 . 8.425 57.405 1.288 1.00 24.81 ? CB GLN A 66 1 -ATOM 1732 C CG . GLN E 3 66 . 7.767 56.099 0.817 1.00 23.84 ? CG GLN A 66 1 -ATOM 1733 C CD . GLN E 3 66 . 6.221 56.271 0.708 1.00 34.69 ? CD GLN A 66 1 -ATOM 1734 O OE1 . GLN E 3 66 . 5.548 55.659 -0.126 1.00 39.05 ? OE1 GLN A 66 1 -ATOM 1735 N NE2 . GLN E 3 66 . 5.667 57.121 1.563 1.00 31 ? NE2 GLN A 66 1 -ATOM 1736 N N . GLY E 3 67 . 10.133 56.997 3.977 1.00 28.63 ? N GLY A 67 1 -ATOM 1737 C CA . GLY E 3 67 . 10.386 56.138 5.090 1.00 26.95 ? CA GLY A 67 1 -ATOM 1738 C C . GLY E 3 67 . 11.853 56.192 5.355 1.00 27.89 ? C GLY A 67 1 -ATOM 1739 O O . GLY E 3 67 . 12.395 55.242 5.878 1.00 37.41 ? O GLY A 67 1 -ATOM 1740 N N . ASP E 3 68 . 12.517 57.280 4.983 1.00 24.35 ? N ASP A 68 1 -ATOM 1741 C CA . ASP E 3 68 . 13.945 57.400 5.301 1.00 26.61 ? CA ASP A 68 1 -ATOM 1742 C C . ASP E 3 68 . 14.165 58.634 6.184 1.00 23.54 ? C ASP A 68 1 -ATOM 1743 O O . ASP E 3 68 . 13.338 59.517 6.172 1.00 26.06 ? O ASP A 68 1 -ATOM 1744 C CB . ASP E 3 68 . 14.763 57.521 4.001 1.00 22.95 ? CB ASP A 68 1 -ATOM 1745 C CG . ASP E 3 68 . 15.496 56.224 3.626 1.00 24.75 ? CG ASP A 68 1 -ATOM 1746 O OD1 . ASP E 3 68 . 15.106 55.504 2.676 1.00 13.07 ? OD1 ASP A 68 1 -ATOM 1747 O OD2 . ASP E 3 68 . 16.500 55.935 4.305 1.00 30.67 ? OD2 ASP A 68 1 -ATOM 1748 N N . PHE E 3 69 . 15.213 58.681 6.998 1.00 20.68 ? N PHE A 69 1 -ATOM 1749 C CA . PHE E 3 69 . 15.493 59.879 7.797 1.00 19.92 ? CA PHE A 69 1 -ATOM 1750 C C . PHE E 3 69 . 16.525 60.739 7.053 1.00 20.69 ? C PHE A 69 1 -ATOM 1751 O O . PHE E 3 69 . 17.391 60.174 6.396 1.00 26.1 ? O PHE A 69 1 -ATOM 1752 C CB . PHE E 3 69 . 16.095 59.522 9.149 1.00 28.8 ? CB PHE A 69 1 -ATOM 1753 C CG . PHE E 3 69 . 15.138 58.927 10.137 1.00 34.08 ? CG PHE A 69 1 -ATOM 1754 C CD1 . PHE E 3 69 . 14.123 59.702 10.695 1.00 28.93 ? CD1 PHE A 69 1 -ATOM 1755 C CD2 . PHE E 3 69 . 15.277 57.587 10.539 1.00 38.04 ? CD2 PHE A 69 1 -ATOM 1756 C CE1 . PHE E 3 69 . 13.255 59.150 11.641 1.00 32.17 ? CE1 PHE A 69 1 -ATOM 1757 C CE2 . PHE E 3 69 . 14.425 57.023 11.476 1.00 30.56 ? CE2 PHE A 69 1 -ATOM 1758 C CZ . PHE E 3 69 . 13.403 57.810 12.031 1.00 32.26 ? CZ PHE A 69 1 -ATOM 1759 N N . ILE E 3 70 . 16.490 62.072 7.157 1.00 18.58 ? N ILE A 70 1 -ATOM 1760 C CA . ILE E 3 70 . 17.498 62.892 6.454 1.00 26.28 ? CA ILE A 70 1 -ATOM 1761 C C . ILE E 3 70 . 18.234 63.861 7.380 1.00 30.93 ? C ILE A 70 1 -ATOM 1762 O O . ILE E 3 70 . 17.638 64.501 8.238 1.00 43.35 ? O ILE A 70 1 -ATOM 1763 C CB . ILE E 3 70 . 16.920 63.804 5.355 1.00 34.75 ? CB ILE A 70 1 -ATOM 1764 C CG1 . ILE E 3 70 . 16.022 63.039 4.387 1.00 38.94 ? CG1 ILE A 70 1 -ATOM 1765 C CG2 . ILE E 3 70 . 18.074 64.350 4.546 1.00 37.06 ? CG2 ILE A 70 1 -ATOM 1766 C CD1 . ILE E 3 70 . 15.300 63.970 3.381 1.00 44.51 ? CD1 ILE A 70 1 -ATOM 1767 N N . GLY E 3 71 . 19.535 64.015 7.178 1.00 33.69 ? N GLY A 71 1 -ATOM 1768 C CA . GLY E 3 71 . 20.282 64.937 8.009 1.00 25.56 ? CA GLY A 71 1 -ATOM 1769 C C . GLY E 3 71 . 20.388 64.425 9.431 1.00 24.7 ? C GLY A 71 1 -ATOM 1770 O O . GLY E 3 71 . 20.198 65.192 10.371 1.00 29.91 ? O GLY A 71 1 -ATOM 1771 N N . GLU E 3 72 . 20.710 63.141 9.601 1.00 13.93 ? N GLU A 72 1 -ATOM 1772 C CA . GLU E 3 72 . 20.832 62.623 10.936 1.00 12.48 ? CA GLU A 72 1 -ATOM 1773 C C . GLU E 3 72 . 22.274 62.670 11.391 1.00 11.3 ? C GLU A 72 1 -ATOM 1774 O O . GLU E 3 72 . 22.589 62.200 12.474 1.00 17.78 ? O GLU A 72 1 -ATOM 1775 C CB . GLU E 3 72 . 20.317 61.171 11.013 1.00 13.01 ? CB GLU A 72 1 -ATOM 1776 C CG . GLU E 3 72 . 21.236 60.065 10.399 1.00 18.25 ? CG GLU A 72 1 -ATOM 1777 C CD . GLU E 3 72 . 21.276 60.043 8.866 1.00 16.76 ? CD GLU A 72 1 -ATOM 1778 O OE1 . GLU E 3 72 . 20.306 60.513 8.239 1.00 11.12 ? OE1 GLU A 72 1 -ATOM 1779 O OE2 . GLU E 3 72 . 22.277 59.551 8.294 1.00 15.76 ? OE2 GLU A 72 1 -ATOM 1780 N N . LEU E 3 73 . 23.179 63.230 10.607 1.00 9.81 ? N LEU A 73 1 -ATOM 1781 C CA . LEU E 3 73 . 24.587 63.222 11.057 1.00 13.82 ? CA LEU A 73 1 -ATOM 1782 C C . LEU E 3 73 . 24.964 64.320 12.050 1.00 17.22 ? C LEU A 73 1 -ATOM 1783 O O . LEU E 3 73 . 26.076 64.349 12.539 1.00 14.89 ? O LEU A 73 1 -ATOM 1784 C CB . LEU E 3 73 . 25.527 63.298 9.836 1.00 14.15 ? CB LEU A 73 1 -ATOM 1785 C CG . LEU E 3 73 . 25.782 61.937 9.125 1.00 14.99 ? CG LEU A 73 1 -ATOM 1786 C CD1 . LEU E 3 73 . 24.860 60.857 9.671 1.00 21.16 ? CD1 LEU A 73 1 -ATOM 1787 C CD2 . LEU E 3 73 . 25.495 62.078 7.629 1.00 8.97 ? CD2 LEU A 73 1 -ATOM 1788 N N . GLY E 3 74 . 24.038 65.217 12.375 1.00 30.27 ? N GLY A 74 1 -ATOM 1789 C CA . GLY E 3 74 . 24.353 66.270 13.328 1.00 33.67 ? CA GLY A 74 1 -ATOM 1790 C C . GLY E 3 74 . 23.872 65.896 14.713 1.00 34.03 ? C GLY A 74 1 -ATOM 1791 O O . GLY E 3 74 . 24.427 66.303 15.737 1.00 39.53 ? O GLY A 74 1 -ATOM 1792 N N . LEU E 3 75 . 22.829 65.080 14.708 1.00 26.27 ? N LEU A 75 1 -ATOM 1793 C CA . LEU E 3 75 . 22.162 64.571 15.881 1.00 23.17 ? CA LEU A 75 1 -ATOM 1794 C C . LEU E 3 75 . 23.062 64.115 17.022 1.00 25.64 ? C LEU A 75 1 -ATOM 1795 O O . LEU E 3 75 . 22.563 63.981 18.131 1.00 34.35 ? O LEU A 75 1 -ATOM 1796 C CB . LEU E 3 75 . 21.299 63.421 15.455 1.00 29.9 ? CB LEU A 75 1 -ATOM 1797 C CG . LEU E 3 75 . 20.410 62.799 16.499 1.00 40.14 ? CG LEU A 75 1 -ATOM 1798 C CD1 . LEU E 3 75 . 19.480 63.847 17.131 1.00 35.25 ? CD1 LEU A 75 1 -ATOM 1799 C CD2 . LEU E 3 75 . 19.632 61.691 15.802 1.00 46.55 ? CD2 LEU A 75 1 -ATOM 1800 N N . PHE E 3 76 . 24.351 63.863 16.776 1.00 29.39 ? N PHE A 76 1 -ATOM 1801 C CA . PHE E 3 76 . 25.232 63.328 17.823 1.00 30.43 ? CA PHE A 76 1 -ATOM 1802 C C . PHE E 3 76 . 26.430 64.224 18.119 1.00 33.08 ? C PHE A 76 1 -ATOM 1803 O O . PHE E 3 76 . 27.470 63.721 18.556 1.00 39.56 ? O PHE A 76 1 -ATOM 1804 C CB . PHE E 3 76 . 25.825 61.946 17.450 1.00 36.92 ? CB PHE A 76 1 -ATOM 1805 C CG . PHE E 3 76 . 24.898 61.037 16.711 1.00 38.34 ? CG PHE A 76 1 -ATOM 1806 C CD1 . PHE E 3 76 . 24.024 60.212 17.377 1.00 39.9 ? CD1 PHE A 76 1 -ATOM 1807 C CD2 . PHE E 3 76 . 24.899 61.026 15.330 1.00 38.51 ? CD2 PHE A 76 1 -ATOM 1808 C CE1 . PHE E 3 76 . 23.163 59.392 16.668 1.00 39.12 ? CE1 PHE A 76 1 -ATOM 1809 C CE2 . PHE E 3 76 . 24.045 60.211 14.625 1.00 34.14 ? CE2 PHE A 76 1 -ATOM 1810 C CZ . PHE E 3 76 . 23.179 59.400 15.298 1.00 25.35 ? CZ PHE A 76 1 -ATOM 1811 N N . GLU E 3 77 . 26.336 65.522 17.878 1.00 31.61 ? N GLU A 77 1 -ATOM 1812 C CA . GLU E 3 77 . 27.451 66.404 18.189 1.00 33.42 ? CA GLU A 77 1 -ATOM 1813 C C . GLU E 3 77 . 26.985 67.802 17.924 1.00 35.76 ? C GLU A 77 1 -ATOM 1814 O O . GLU E 3 77 . 25.972 67.976 17.278 1.00 46.52 ? O GLU A 77 1 -ATOM 1815 C CB . GLU E 3 77 . 28.675 66.042 17.322 1.00 34.97 ? CB GLU A 77 1 -ATOM 1816 C CG . GLU E 3 77 . 29.904 66.925 17.598 1.00 51.06 ? CG GLU A 77 1 -ATOM 1817 C CD . GLU E 3 77 . 31.263 66.279 17.279 1.00 55 ? CD GLU A 77 1 -ATOM 1818 O OE1 . GLU E 3 77 . 31.515 65.160 17.790 1.00 55 ? OE1 GLU A 77 1 -ATOM 1819 O OE2 . GLU E 3 77 . 32.085 66.893 16.549 1.00 54.67 ? OE2 GLU A 77 1 -ATOM 1820 N N . GLU E 3 78 . 27.679 68.809 18.420 1.00 41.85 ? N GLU A 78 1 -ATOM 1821 C CA . GLU E 3 78 . 27.189 70.174 18.243 1.00 44.81 ? CA GLU A 78 1 -ATOM 1822 C C . GLU E 3 78 . 27.858 70.930 17.107 1.00 45.88 ? C GLU A 78 1 -ATOM 1823 O O . GLU E 3 78 . 29.008 70.645 16.770 1.00 47.34 ? O GLU A 78 1 -ATOM 1824 C CB . GLU E 3 78 . 27.391 70.971 19.536 1.00 45.21 ? CB GLU A 78 1 -ATOM 1825 C CG . GLU E 3 78 . 26.689 70.419 20.792 1.00 45.88 ? CG GLU A 78 1 -ATOM 1826 C CD . GLU E 3 78 . 25.188 70.692 20.848 1.00 43.78 ? CD GLU A 78 1 -ATOM 1827 O OE1 . GLU E 3 78 . 24.748 71.674 20.201 1.00 43.55 ? OE1 GLU A 78 1 -ATOM 1828 O OE2 . GLU E 3 78 . 24.475 69.923 21.551 1.00 37.15 ? OE2 GLU A 78 1 -ATOM 1829 N N . GLY E 3 79 . 27.102 71.872 16.529 1.00 46.22 ? N GLY A 79 1 -ATOM 1830 C CA . GLY E 3 79 . 27.586 72.776 15.489 1.00 48.69 ? CA GLY A 79 1 -ATOM 1831 C C . GLY E 3 79 . 28.298 72.166 14.276 1.00 42.68 ? C GLY A 79 1 -ATOM 1832 O O . GLY E 3 79 . 29.325 72.698 13.778 1.00 30.47 ? O GLY A 79 1 -ATOM 1833 N N . GLN E 3 80 . 27.772 71.053 13.783 1.00 45.11 ? N GLN A 80 1 -ATOM 1834 C CA . GLN E 3 80 . 28.360 70.473 12.601 1.00 42.89 ? CA GLN A 80 1 -ATOM 1835 C C . GLN E 3 80 . 27.525 70.938 11.420 1.00 41.23 ? C GLN A 80 1 -ATOM 1836 O O . GLN E 3 80 . 26.302 71.124 11.541 1.00 39.58 ? O GLN A 80 1 -ATOM 1837 C CB . GLN E 3 80 . 28.359 68.940 12.715 1.00 46.42 ? CB GLN A 80 1 -ATOM 1838 C CG . GLN E 3 80 . 29.252 68.388 13.832 1.00 43.16 ? CG GLN A 80 1 -ATOM 1839 C CD . GLN E 3 80 . 29.474 66.891 13.706 1.00 48.16 ? CD GLN A 80 1 -ATOM 1840 O OE1 . GLN E 3 80 . 30.557 66.429 13.310 1.00 42.62 ? OE1 GLN A 80 1 -ATOM 1841 N NE2 . GLN E 3 80 . 28.443 66.121 14.028 1.00 46.28 ? NE2 GLN A 80 1 -ATOM 1842 N N . GLU E 3 81 . 28.186 71.163 10.293 1.00 36.87 ? N GLU A 81 1 -ATOM 1843 C CA . GLU E 3 81 . 27.487 71.603 9.083 1.00 35.83 ? CA GLU A 81 1 -ATOM 1844 C C . GLU E 3 81 . 26.672 70.453 8.445 1.00 36.6 ? C GLU A 81 1 -ATOM 1845 O O . GLU E 3 81 . 26.724 69.319 8.936 1.00 35.61 ? O GLU A 81 1 -ATOM 1846 C CB . GLU E 3 81 . 28.524 72.129 8.107 1.00 41.66 ? CB GLU A 81 1 -ATOM 1847 C CG . GLU E 3 81 . 29.510 73.051 8.809 1.00 44.03 ? CG GLU A 81 1 -ATOM 1848 C CD . GLU E 3 81 . 30.367 73.852 7.879 1.00 49.44 ? CD GLU A 81 1 -ATOM 1849 O OE1 . GLU E 3 81 . 30.417 75.076 8.086 1.00 55 ? OE1 GLU A 81 1 -ATOM 1850 O OE2 . GLU E 3 81 . 30.989 73.283 6.958 1.00 48.69 ? OE2 GLU A 81 1 -ATOM 1851 N N . ARG E 3 82 . 25.895 70.748 7.396 1.00 27.15 ? N ARG A 82 1 -ATOM 1852 C CA . ARG E 3 82 . 25.130 69.725 6.672 1.00 23.9 ? CA ARG A 82 1 -ATOM 1853 C C . ARG E 3 82 . 26.166 69.218 5.662 1.00 20.67 ? C ARG A 82 1 -ATOM 1854 O O . ARG E 3 82 . 26.767 70.046 4.983 1.00 27.73 ? O ARG A 82 1 -ATOM 1855 C CB . ARG E 3 82 . 23.936 70.359 5.960 1.00 20.29 ? CB ARG A 82 1 -ATOM 1856 C CG . ARG E 3 82 . 22.982 71.156 6.834 1.00 26.02 ? CG ARG A 82 1 -ATOM 1857 C CD . ARG E 3 82 . 21.699 70.447 7.165 1.00 18.92 ? CD ARG A 82 1 -ATOM 1858 N NE . ARG E 3 82 . 21.919 69.244 7.969 1.00 41.63 ? NE ARG A 82 1 -ATOM 1859 C CZ . ARG E 3 82 . 20.977 68.632 8.691 1.00 38.51 ? CZ ARG A 82 1 -ATOM 1860 N NH1 . ARG E 3 82 . 19.715 69.089 8.731 1.00 33.68 ? NH1 ARG A 82 1 -ATOM 1861 N NH2 . ARG E 3 82 . 21.307 67.555 9.387 1.00 38.07 ? NH2 ARG A 82 1 -ATOM 1862 N N . SER E 3 83 . 26.376 67.905 5.537 1.00 10.76 ? N SER A 83 1 -ATOM 1863 C CA . SER E 3 83 . 27.491 67.424 4.701 1.00 11.3 ? CA SER A 83 1 -ATOM 1864 C C . SER E 3 83 . 27.305 67.181 3.208 1.00 6.17 ? C SER A 83 1 -ATOM 1865 O O . SER E 3 83 . 28.297 66.884 2.547 1.00 8.1 ? O SER A 83 1 -ATOM 1866 C CB . SER E 3 83 . 28.080 66.115 5.275 1.00 6 ? CB SER A 83 1 -ATOM 1867 O OG . SER E 3 83 . 27.145 65.043 5.227 1.00 10.48 ? OG SER A 83 1 -ATOM 1868 N N . ALA E 3 84 . 26.112 67.312 2.666 1.00 6 ? N ALA A 84 1 -ATOM 1869 C CA . ALA E 3 84 . 25.907 67.047 1.234 1.00 13.33 ? CA ALA A 84 1 -ATOM 1870 C C . ALA E 3 84 . 24.703 67.799 0.768 1.00 14.8 ? C ALA A 84 1 -ATOM 1871 O O . ALA E 3 84 . 24.214 68.695 1.449 1.00 19.43 ? O ALA A 84 1 -ATOM 1872 C CB . ALA E 3 84 . 25.678 65.541 0.972 1.00 22.03 ? CB ALA A 84 1 -ATOM 1873 N N . TRP E 3 85 . 24.214 67.430 -0.394 1.00 11.47 ? N TRP A 85 1 -ATOM 1874 C CA . TRP E 3 85 . 23.019 68.068 -0.873 1.00 11.4 ? CA TRP A 85 1 -ATOM 1875 C C . TRP E 3 85 . 21.912 67.055 -1.014 1.00 10.37 ? C TRP A 85 1 -ATOM 1876 O O . TRP E 3 85 . 22.139 65.862 -1.158 1.00 20.14 ? O TRP A 85 1 -ATOM 1877 C CB . TRP E 3 85 . 23.300 68.713 -2.199 1.00 21.53 ? CB TRP A 85 1 -ATOM 1878 C CG . TRP E 3 85 . 23.682 70.120 -2.147 1.00 21.1 ? CG TRP A 85 1 -ATOM 1879 C CD1 . TRP E 3 85 . 22.833 71.166 -2.150 1.00 21.65 ? CD1 TRP A 85 1 -ATOM 1880 C CD2 . TRP E 3 85 . 24.991 70.665 -2.223 1.00 12.05 ? CD2 TRP A 85 1 -ATOM 1881 N NE1 . TRP E 3 85 . 23.526 72.342 -2.251 1.00 13.68 ? NE1 TRP A 85 1 -ATOM 1882 C CE2 . TRP E 3 85 . 24.856 72.063 -2.303 1.00 15.41 ? CE2 TRP A 85 1 -ATOM 1883 C CE3 . TRP E 3 85 . 26.257 70.115 -2.251 1.00 13.77 ? CE3 TRP A 85 1 -ATOM 1884 C CZ2 . TRP E 3 85 . 25.934 72.918 -2.411 1.00 6.21 ? CZ2 TRP A 85 1 -ATOM 1885 C CZ3 . TRP E 3 85 . 27.344 70.964 -2.357 1.00 15.3 ? CZ3 TRP A 85 1 -ATOM 1886 C CH2 . TRP E 3 85 . 27.172 72.349 -2.442 1.00 18.9 ? CH2 TRP A 85 1 -ATOM 1887 N N . VAL E 3 86 . 20.703 67.544 -1.041 1.00 6 ? N VAL A 86 1 -ATOM 1888 C CA . VAL E 3 86 . 19.566 66.691 -1.097 1.00 6 ? CA VAL A 86 1 -ATOM 1889 C C . VAL E 3 86 . 18.480 67.505 -1.788 1.00 13.05 ? C VAL A 86 1 -ATOM 1890 O O . VAL E 3 86 . 18.044 68.556 -1.278 1.00 19.1 ? O VAL A 86 1 -ATOM 1891 C CB . VAL E 3 86 . 19.164 66.285 0.351 1.00 6 ? CB VAL A 86 1 -ATOM 1892 C CG1 . VAL E 3 86 . 17.905 65.475 0.357 1.00 7.7 ? CG1 VAL A 86 1 -ATOM 1893 C CG2 . VAL E 3 86 . 20.252 65.488 0.952 1.00 6 ? CG2 VAL A 86 1 -ATOM 1894 N N . ARG E 3 87 . 18.078 67.020 -2.960 1.00 17.12 ? N ARG A 87 1 -ATOM 1895 C CA . ARG E 3 87 . 17.091 67.633 -3.828 1.00 19.39 ? CA ARG A 87 1 -ATOM 1896 C C . ARG E 3 87 . 15.949 66.657 -4.071 1.00 23.02 ? C ARG A 87 1 -ATOM 1897 O O . ARG E 3 87 . 16.187 65.500 -4.343 1.00 27.12 ? O ARG A 87 1 -ATOM 1898 C CB . ARG E 3 87 . 17.784 68.008 -5.140 1.00 14.28 ? CB ARG A 87 1 -ATOM 1899 C CG . ARG E 3 87 . 16.849 68.186 -6.314 1.00 29.5 ? CG ARG A 87 1 -ATOM 1900 C CD . ARG E 3 87 . 17.570 68.425 -7.657 1.00 30.53 ? CD ARG A 87 1 -ATOM 1901 N NE . ARG E 3 87 . 18.262 67.287 -8.268 1.00 37.35 ? NE ARG A 87 1 -ATOM 1902 C CZ . ARG E 3 87 . 19.565 67.275 -8.582 1.00 42.86 ? CZ ARG A 87 1 -ATOM 1903 N NH1 . ARG E 3 87 . 20.323 68.349 -8.330 1.00 35.93 ? NH1 ARG A 87 1 -ATOM 1904 N NH2 . ARG E 3 87 . 20.115 66.203 -9.179 1.00 27.91 ? NH2 ARG A 87 1 -ATOM 1905 N N . ALA E 3 88 . 14.710 67.110 -3.974 1.00 30.45 ? N ALA A 88 1 -ATOM 1906 C CA . ALA E 3 88 . 13.575 66.227 -4.192 1.00 32.4 ? CA ALA A 88 1 -ATOM 1907 C C . ALA E 3 88 . 13.623 65.688 -5.590 1.00 33.41 ? C ALA A 88 1 -ATOM 1908 O O . ALA E 3 88 . 13.683 66.465 -6.532 1.00 42.77 ? O ALA A 88 1 -ATOM 1909 C CB . ALA E 3 88 . 12.311 66.975 -4.006 1.00 31.17 ? CB ALA A 88 1 -ATOM 1910 N N . LYS E 3 89 . 13.631 64.370 -5.734 1.00 32.75 ? N LYS A 89 1 -ATOM 1911 C CA . LYS E 3 89 . 13.653 63.750 -7.061 1.00 34.42 ? CA LYS A 89 1 -ATOM 1912 C C . LYS E 3 89 . 12.225 63.831 -7.615 1.00 30.9 ? C LYS A 89 1 -ATOM 1913 O O . LYS E 3 89 . 11.980 63.888 -8.825 1.00 32.55 ? O LYS A 89 1 -ATOM 1914 C CB . LYS E 3 89 . 14.120 62.293 -6.930 1.00 35.68 ? CB LYS A 89 1 -ATOM 1915 C CG . LYS E 3 89 . 14.923 61.824 -8.113 1.00 36.56 ? CG LYS A 89 1 -ATOM 1916 C CD . LYS E 3 89 . 15.513 60.411 -7.969 1.00 34.14 ? CD LYS A 89 1 -ATOM 1917 C CE . LYS E 3 89 . 14.535 59.261 -8.223 1.00 36.64 ? CE LYS A 89 1 -ATOM 1918 N NZ . LYS E 3 89 . 13.699 58.787 -7.090 1.00 31.48 ? NZ LYS A 89 1 -ATOM 1919 N N . THR E 3 90 . 11.295 63.843 -6.665 1.00 30.89 ? N THR A 90 1 -ATOM 1920 C CA . THR E 3 90 . 9.860 63.965 -6.886 1.00 32.73 ? CA THR A 90 1 -ATOM 1921 C C . THR E 3 90 . 9.328 64.859 -5.788 1.00 33.54 ? C THR A 90 1 -ATOM 1922 O O . THR E 3 90 . 10.102 65.461 -5.047 1.00 40.04 ? O THR A 90 1 -ATOM 1923 C CB . THR E 3 90 . 9.112 62.620 -6.779 1.00 34.98 ? CB THR A 90 1 -ATOM 1924 O OG1 . THR E 3 90 . 9.450 62.011 -5.531 1.00 39.57 ? OG1 THR A 90 1 -ATOM 1925 C CG2 . THR E 3 90 . 9.454 61.702 -7.948 1.00 40.12 ? CG2 THR A 90 1 -ATOM 1926 N N . ALA E 3 91 . 8.018 64.961 -5.675 1.00 25.85 ? N ALA A 91 1 -ATOM 1927 C CA . ALA E 3 91 . 7.469 65.797 -4.633 1.00 27.82 ? CA ALA A 91 1 -ATOM 1928 C C . ALA E 3 91 . 7.696 65.150 -3.272 1.00 33.09 ? C ALA A 91 1 -ATOM 1929 O O . ALA E 3 91 . 7.710 63.934 -3.167 1.00 40.41 ? O ALA A 91 1 -ATOM 1930 C CB . ALA E 3 91 . 6.001 65.988 -4.906 1.00 33.09 ? CB ALA A 91 1 -ATOM 1931 N N . CYS E 3 92 . 7.856 65.918 -2.207 1.00 36.14 ? N CYS A 92 1 -ATOM 1932 C CA . CYS E 3 92 . 8.078 65.220 -0.961 1.00 44.77 ? CA CYS A 92 1 -ATOM 1933 C C . CYS E 3 92 . 7.499 65.844 0.302 1.00 51.16 ? C CYS A 92 1 -ATOM 1934 O O . CYS E 3 92 . 7.872 66.968 0.679 1.00 55 ? O CYS A 92 1 -ATOM 1935 C CB . CYS E 3 92 . 9.562 65.046 -0.727 1.00 45.43 ? CB CYS A 92 1 -ATOM 1936 S SG . CYS E 3 92 . 10.418 64.677 -2.190 1.00 41.87 ? SG CYS A 92 1 -ATOM 1937 N N . GLU E 3 93 . 6.573 65.131 0.942 1.00 45.15 ? N GLU A 93 1 -ATOM 1938 C CA . GLU E 3 93 . 6.115 65.568 2.247 1.00 40.07 ? CA GLU A 93 1 -ATOM 1939 C C . GLU E 3 93 . 7.268 65.124 3.163 1.00 38.57 ? C GLU A 93 1 -ATOM 1940 O O . GLU E 3 93 . 7.531 63.930 3.290 1.00 46 ? O GLU A 93 1 -ATOM 1941 C CB . GLU E 3 93 . 4.852 64.846 2.683 1.00 40.37 ? CB GLU A 93 1 -ATOM 1942 C CG . GLU E 3 93 . 3.622 65.062 1.879 1.00 43.07 ? CG GLU A 93 1 -ATOM 1943 C CD . GLU E 3 93 . 2.458 64.267 2.448 1.00 46.73 ? CD GLU A 93 1 -ATOM 1944 O OE1 . GLU E 3 93 . 2.482 63.886 3.656 1.00 45.91 ? OE1 GLU A 93 1 -ATOM 1945 O OE2 . GLU E 3 93 . 1.512 64.026 1.669 1.00 50.53 ? OE2 GLU A 93 1 -ATOM 1946 N N . VAL E 3 94 . 7.953 66.063 3.784 1.00 25.26 ? N VAL A 94 1 -ATOM 1947 C CA . VAL E 3 94 . 9.118 65.773 4.592 1.00 19.52 ? CA VAL A 94 1 -ATOM 1948 C C . VAL E 3 94 . 8.897 66.290 5.995 1.00 22.16 ? C VAL A 94 1 -ATOM 1949 O O . VAL E 3 94 . 8.955 67.495 6.223 1.00 27.41 ? O VAL A 94 1 -ATOM 1950 C CB . VAL E 3 94 . 10.345 66.451 3.948 1.00 27.22 ? CB VAL A 94 1 -ATOM 1951 C CG1 . VAL E 3 94 . 11.586 66.291 4.798 1.00 34.77 ? CG1 VAL A 94 1 -ATOM 1952 C CG2 . VAL E 3 94 . 10.571 65.836 2.611 1.00 34.72 ? CG2 VAL A 94 1 -ATOM 1953 N N . ALA E 3 95 . 8.633 65.384 6.932 1.00 21.55 ? N ALA A 95 1 -ATOM 1954 C CA . ALA E 3 95 . 8.413 65.749 8.331 1.00 19.89 ? CA ALA A 95 1 -ATOM 1955 C C . ALA E 3 95 . 9.648 66.317 8.977 1.00 17.88 ? C ALA A 95 1 -ATOM 1956 O O . ALA E 3 95 . 10.783 66.018 8.599 1.00 20.23 ? O ALA A 95 1 -ATOM 1957 C CB . ALA E 3 95 . 7.982 64.536 9.155 1.00 23.5 ? CB ALA A 95 1 -ATOM 1958 N N . GLU E 3 96 . 9.410 67.107 10.005 1.00 25.98 ? N GLU A 96 1 -ATOM 1959 C CA . GLU E 3 96 . 10.490 67.661 10.767 1.00 29.5 ? CA GLU A 96 1 -ATOM 1960 C C . GLU E 3 96 . 10.201 67.791 12.252 1.00 33.73 ? C GLU A 96 1 -ATOM 1961 O O . GLU E 3 96 . 9.084 68.046 12.689 1.00 35.78 ? O GLU A 96 1 -ATOM 1962 C CB . GLU E 3 96 . 10.866 69.051 10.274 1.00 27.63 ? CB GLU A 96 1 -ATOM 1963 C CG . GLU E 3 96 . 11.637 69.106 9.007 1.00 32.63 ? CG GLU A 96 1 -ATOM 1964 C CD . GLU E 3 96 . 10.858 69.759 7.912 1.00 44.18 ? CD GLU A 96 1 -ATOM 1965 O OE1 . GLU E 3 96 . 11.466 70.476 7.088 1.00 45.71 ? OE1 GLU A 96 1 -ATOM 1966 O OE2 . GLU E 3 96 . 9.629 69.551 7.882 1.00 53.2 ? OE2 GLU A 96 1 -ATOM 1967 N N . ILE E 3 97 . 11.291 67.564 12.971 1.00 36.22 ? N ILE A 97 1 -ATOM 1968 C CA . ILE E 3 97 . 11.520 67.749 14.392 1.00 37.13 ? CA ILE A 97 1 -ATOM 1969 C C . ILE E 3 97 . 12.756 68.579 14.553 1.00 35.72 ? C ILE A 97 1 -ATOM 1970 O O . ILE E 3 97 . 13.247 69.075 13.552 1.00 32.79 ? O ILE A 97 1 -ATOM 1971 C CB . ILE E 3 97 . 11.823 66.431 15.203 1.00 36.02 ? CB ILE A 97 1 -ATOM 1972 C CG1 . ILE E 3 97 . 11.163 65.223 14.564 1.00 35.7 ? CG1 ILE A 97 1 -ATOM 1973 C CG2 . ILE E 3 97 . 11.213 66.545 16.624 1.00 24.59 ? CG2 ILE A 97 1 -ATOM 1974 C CD1 . ILE E 3 97 . 11.442 63.942 15.305 1.00 39.9 ? CD1 ILE A 97 1 -ATOM 1975 N N . SER E 3 98 . 13.287 68.758 15.749 1.00 40.49 ? N SER A 98 1 -ATOM 1976 C CA . SER E 3 98 . 14.551 69.491 15.807 1.00 43.85 ? CA SER A 98 1 -ATOM 1977 C C . SER E 3 98 . 15.480 68.575 16.566 1.00 42.09 ? C SER A 98 1 -ATOM 1978 O O . SER E 3 98 . 15.022 67.554 17.113 1.00 41.2 ? O SER A 98 1 -ATOM 1979 C CB . SER E 3 98 . 14.391 70.858 16.548 1.00 42.58 ? CB SER A 98 1 -ATOM 1980 O OG . SER E 3 98 . 14.027 70.740 17.910 1.00 44.95 ? OG SER A 98 1 -ATOM 1981 N N . TYR E 3 99 . 16.764 68.873 16.614 1.00 35.58 ? N TYR A 99 1 -ATOM 1982 C CA . TYR E 3 99 . 17.617 67.921 17.281 1.00 38.18 ? CA TYR A 99 1 -ATOM 1983 C C . TYR E 3 99 . 17.200 67.637 18.724 1.00 41.1 ? C TYR A 99 1 -ATOM 1984 O O . TYR E 3 99 . 17.006 66.472 19.136 1.00 35.74 ? O TYR A 99 1 -ATOM 1985 C CB . TYR E 3 99 . 19.056 68.436 17.217 1.00 32.98 ? CB TYR A 99 1 -ATOM 1986 C CG . TYR E 3 99 . 19.697 68.180 15.859 1.00 25.49 ? CG TYR A 99 1 -ATOM 1987 C CD1 . TYR E 3 99 . 18.969 67.607 14.814 1.00 29.95 ? CD1 TYR A 99 1 -ATOM 1988 C CD2 . TYR E 3 99 . 21.021 68.488 15.627 1.00 22.03 ? CD2 TYR A 99 1 -ATOM 1989 C CE1 . TYR E 3 99 . 19.544 67.349 13.585 1.00 23.04 ? CE1 TYR A 99 1 -ATOM 1990 C CE2 . TYR E 3 99 . 21.607 68.239 14.409 1.00 19.43 ? CE2 TYR A 99 1 -ATOM 1991 C CZ . TYR E 3 99 . 20.866 67.666 13.384 1.00 22.99 ? CZ TYR A 99 1 -ATOM 1992 O OH . TYR E 3 99 . 21.449 67.402 12.167 1.00 22.8 ? OH TYR A 99 1 -ATOM 1993 N N . LYS E 3 100 . 16.998 68.708 19.480 1.00 45.21 ? N LYS A 100 1 -ATOM 1994 C CA . LYS E 3 100 . 16.676 68.561 20.889 1.00 43 ? CA LYS A 100 1 -ATOM 1995 C C . LYS E 3 100 . 15.340 67.917 21.120 1.00 40.2 ? C LYS A 100 1 -ATOM 1996 O O . LYS E 3 100 . 15.254 67.016 21.960 1.00 41.22 ? O LYS A 100 1 -ATOM 1997 C CB . LYS E 3 100 . 16.724 69.934 21.591 1.00 35.73 ? CB LYS A 100 1 -ATOM 1998 C CG . LYS E 3 100 . 18.161 70.482 21.720 1.00 29.76 ? CG LYS A 100 1 -ATOM 1999 C CD . LYS E 3 100 . 18.414 71.768 20.923 1.00 33.34 ? CD LYS A 100 1 -ATOM 2000 C CE . LYS E 3 100 . 18.210 71.711 19.371 1.00 32.98 ? CE LYS A 100 1 -ATOM 2001 N NZ . LYS E 3 100 . 16.791 71.664 18.855 1.00 32.31 ? NZ LYS A 100 1 -ATOM 2002 N N . LYS E 3 101 . 14.299 68.313 20.396 1.00 24.97 ? N LYS A 101 1 -ATOM 2003 C CA . LYS E 3 101 . 13.056 67.660 20.732 1.00 29.84 ? CA LYS A 101 1 -ATOM 2004 C C . LYS E 3 101 . 13.182 66.176 20.428 1.00 37.14 ? C LYS A 101 1 -ATOM 2005 O O . LYS E 3 101 . 12.539 65.330 21.077 1.00 41.51 ? O LYS A 101 1 -ATOM 2006 C CB . LYS E 3 101 . 11.893 68.258 19.947 1.00 37.74 ? CB LYS A 101 1 -ATOM 2007 C CG . LYS E 3 101 . 10.519 67.818 20.523 1.00 43.67 ? CG LYS A 101 1 -ATOM 2008 C CD . LYS E 3 101 . 10.494 68.057 22.042 1.00 43.49 ? CD LYS A 101 1 -ATOM 2009 C CE . LYS E 3 101 . 9.179 67.691 22.696 1.00 50.32 ? CE LYS A 101 1 -ATOM 2010 N NZ . LYS E 3 101 . 9.374 67.623 24.180 1.00 43.61 ? NZ LYS A 101 1 -ATOM 2011 N N . PHE E 3 102 . 14.044 65.860 19.463 1.00 45.97 ? N PHE A 102 1 -ATOM 2012 C CA . PHE E 3 102 . 14.285 64.473 19.109 1.00 40.49 ? CA PHE A 102 1 -ATOM 2013 C C . PHE E 3 102 . 14.964 63.738 20.278 1.00 33.92 ? C PHE A 102 1 -ATOM 2014 O O . PHE E 3 102 . 14.473 62.698 20.702 1.00 35.16 ? O PHE A 102 1 -ATOM 2015 C CB . PHE E 3 102 . 15.173 64.382 17.859 1.00 30.78 ? CB PHE A 102 1 -ATOM 2016 C CG . PHE E 3 102 . 15.397 62.981 17.421 1.00 19.48 ? CG PHE A 102 1 -ATOM 2017 C CD1 . PHE E 3 102 . 14.377 62.268 16.870 1.00 21.14 ? CD1 PHE A 102 1 -ATOM 2018 C CD2 . PHE E 3 102 . 16.623 62.382 17.582 1.00 26.31 ? CD2 PHE A 102 1 -ATOM 2019 C CE1 . PHE E 3 102 . 14.565 60.979 16.484 1.00 25.78 ? CE1 PHE A 102 1 -ATOM 2020 C CE2 . PHE E 3 102 . 16.836 61.075 17.197 1.00 28.19 ? CE2 PHE A 102 1 -ATOM 2021 C CZ . PHE E 3 102 . 15.816 60.372 16.646 1.00 25.6 ? CZ PHE A 102 1 -ATOM 2022 N N . ARG E 3 103 . 16.073 64.260 20.806 1.00 33.19 ? N ARG A 103 1 -ATOM 2023 C CA . ARG E 3 103 . 16.729 63.605 21.947 1.00 37.05 ? CA ARG A 103 1 -ATOM 2024 C C . ARG E 3 103 . 15.728 63.449 23.119 1.00 43.35 ? C ARG A 103 1 -ATOM 2025 O O . ARG E 3 103 . 15.731 62.435 23.839 1.00 43.03 ? O ARG A 103 1 -ATOM 2026 C CB . ARG E 3 103 . 17.916 64.432 22.421 1.00 33 ? CB ARG A 103 1 -ATOM 2027 C CG . ARG E 3 103 . 18.814 64.818 21.332 1.00 24.18 ? CG ARG A 103 1 -ATOM 2028 C CD . ARG E 3 103 . 19.932 65.615 21.893 1.00 28.95 ? CD ARG A 103 1 -ATOM 2029 N NE . ARG E 3 103 . 20.518 66.415 20.820 1.00 35.23 ? NE ARG A 103 1 -ATOM 2030 C CZ . ARG E 3 103 . 21.816 66.637 20.659 1.00 29.7 ? CZ ARG A 103 1 -ATOM 2031 N NH1 . ARG E 3 103 . 22.710 66.122 21.495 1.00 30.43 ? NH1 ARG A 103 1 -ATOM 2032 N NH2 . ARG E 3 103 . 22.221 67.395 19.658 1.00 38.48 ? NH2 ARG A 103 1 -ATOM 2033 N N . GLN E 3 104 . 14.892 64.474 23.302 1.00 36.81 ? N GLN A 104 1 -ATOM 2034 C CA . GLN E 3 104 . 13.846 64.470 24.308 1.00 35.02 ? CA GLN A 104 1 -ATOM 2035 C C . GLN E 3 104 . 12.879 63.373 23.940 1.00 32.89 ? C GLN A 104 1 -ATOM 2036 O O . GLN E 3 104 . 12.262 62.769 24.786 1.00 36.28 ? O GLN A 104 1 -ATOM 2037 C CB . GLN E 3 104 . 13.140 65.842 24.331 1.00 45.28 ? CB GLN A 104 1 -ATOM 2038 C CG . GLN E 3 104 . 13.956 66.951 25.042 1.00 47.48 ? CG GLN A 104 1 -ATOM 2039 C CD . GLN E 3 104 . 13.487 68.386 24.755 1.00 53.21 ? CD GLN A 104 1 -ATOM 2040 O OE1 . GLN E 3 104 . 12.301 68.727 24.868 1.00 48.25 ? OE1 GLN A 104 1 -ATOM 2041 N NE2 . GLN E 3 104 . 14.444 69.236 24.383 1.00 52.3 ? NE2 GLN A 104 1 -ATOM 2042 N N . LEU E 3 105 . 12.758 63.127 22.649 1.00 33.82 ? N LEU A 105 1 -ATOM 2043 C CA . LEU E 3 105 . 11.908 62.077 22.132 1.00 34.59 ? CA LEU A 105 1 -ATOM 2044 C C . LEU E 3 105 . 12.575 60.723 22.230 1.00 37.42 ? C LEU A 105 1 -ATOM 2045 O O . LEU E 3 105 . 11.919 59.709 21.962 1.00 42.68 ? O LEU A 105 1 -ATOM 2046 C CB . LEU E 3 105 . 11.579 62.342 20.677 1.00 45.85 ? CB LEU A 105 1 -ATOM 2047 C CG . LEU E 3 105 . 10.730 63.542 20.304 1.00 43.79 ? CG LEU A 105 1 -ATOM 2048 C CD1 . LEU E 3 105 . 10.920 63.884 18.835 1.00 50.06 ? CD1 LEU A 105 1 -ATOM 2049 C CD2 . LEU E 3 105 . 9.304 63.229 20.645 1.00 43.91 ? CD2 LEU A 105 1 -ATOM 2050 N N . ILE E 3 106 . 13.868 60.699 22.563 1.00 40.48 ? N ILE A 106 1 -ATOM 2051 C CA . ILE E 3 106 . 14.614 59.434 22.677 1.00 42.64 ? CA ILE A 106 1 -ATOM 2052 C C . ILE E 3 106 . 14.595 58.810 24.083 1.00 47.81 ? C ILE A 106 1 -ATOM 2053 O O . ILE E 3 106 . 14.244 57.625 24.228 1.00 51.24 ? O ILE A 106 1 -ATOM 2054 C CB . ILE E 3 106 . 16.105 59.544 22.372 1.00 36.82 ? CB ILE A 106 1 -ATOM 2055 C CG1 . ILE E 3 106 . 16.359 60.281 21.078 1.00 41.93 ? CG1 ILE A 106 1 -ATOM 2056 C CG2 . ILE E 3 106 . 16.661 58.133 22.176 1.00 42.11 ? CG2 ILE A 106 1 -ATOM 2057 C CD1 . ILE E 3 106 . 17.837 60.397 20.805 1.00 39.03 ? CD1 ILE A 106 1 -ATOM 2058 N N . GLN E 3 107 . 15.003 59.590 25.098 1.00 47.45 ? N GLN A 107 1 -ATOM 2059 C CA . GLN E 3 107 . 15.083 59.127 26.491 1.00 44.95 ? CA GLN A 107 1 -ATOM 2060 C C . GLN E 3 107 . 13.720 58.642 27.008 1.00 41.91 ? C GLN A 107 1 -ATOM 2061 O O . GLN E 3 107 . 13.572 58.302 28.181 1.00 47.41 ? O GLN A 107 1 -ATOM 2062 C CB . GLN E 3 107 . 15.637 60.284 27.346 1.00 52.08 ? CB GLN A 107 1 -ATOM 2063 C CG . GLN E 3 107 . 16.568 59.913 28.541 1.00 52.32 ? CG GLN A 107 1 -ATOM 2064 C CD . GLN E 3 107 . 15.862 59.661 29.885 1.00 55 ? CD GLN A 107 1 -ATOM 2065 O OE1 . GLN E 3 107 . 16.185 58.702 30.591 1.00 52.6 ? OE1 GLN A 107 1 -ATOM 2066 N NE2 . GLN E 3 107 . 14.917 60.537 30.251 1.00 52.61 ? NE2 GLN A 107 1 -ATOM 2067 N N . VAL E 3 108 . 12.712 58.676 26.142 1.00 38.72 ? N VAL A 108 1 -ATOM 2068 C CA . VAL E 3 108 . 11.360 58.338 26.538 1.00 41.32 ? CA VAL A 108 1 -ATOM 2069 C C . VAL E 3 108 . 11.091 56.989 25.817 1.00 48.15 ? C VAL A 108 1 -ATOM 2070 O O . VAL E 3 108 . 11.154 55.962 26.480 1.00 52.87 ? O VAL A 108 1 -ATOM 2071 C CB . VAL E 3 108 . 10.315 59.411 26.071 1.00 47.46 ? CB VAL A 108 1 -ATOM 2072 C CG1 . VAL E 3 108 . 8.914 59.040 26.584 1.00 52.09 ? CG1 VAL A 108 1 -ATOM 2073 C CG2 . VAL E 3 108 . 10.692 60.777 26.618 1.00 50.35 ? CG2 VAL A 108 1 -ATOM 2074 N N . ASN E 3 109 . 10.869 56.931 24.496 1.00 51.35 ? N ASN A 109 1 -ATOM 2075 C CA . ASN E 3 109 . 10.745 55.637 23.727 1.00 50.46 ? CA ASN A 109 1 -ATOM 2076 C C . ASN E 3 109 . 11.969 55.350 22.877 1.00 46.8 ? C ASN A 109 1 -ATOM 2077 O O . ASN E 3 109 . 12.034 55.776 21.729 1.00 52.04 ? O ASN A 109 1 -ATOM 2078 C CB . ASN E 3 109 . 9.546 55.532 22.769 1.00 54.74 ? CB ASN A 109 1 -ATOM 2079 C CG . ASN E 3 109 . 9.575 54.228 21.942 1.00 55 ? CG ASN A 109 1 -ATOM 2080 O OD1 . ASN E 3 109 . 10.471 53.395 22.102 1.00 50.39 ? OD1 ASN A 109 1 -ATOM 2081 N ND2 . ASN E 3 109 . 8.596 54.056 21.062 1.00 55 ? ND2 ASN A 109 1 -ATOM 2082 N N . PRO E 3 110 . 12.902 54.537 23.380 1.00 47.69 ? N PRO A 110 1 -ATOM 2083 C CA . PRO E 3 110 . 14.184 54.312 22.696 1.00 45.67 ? CA PRO A 110 1 -ATOM 2084 C C . PRO E 3 110 . 14.043 53.766 21.261 1.00 43.39 ? C PRO A 110 1 -ATOM 2085 O O . PRO E 3 110 . 14.993 53.821 20.470 1.00 38.25 ? O PRO A 110 1 -ATOM 2086 C CB . PRO E 3 110 . 14.914 53.371 23.652 1.00 44.78 ? CB PRO A 110 1 -ATOM 2087 C CG . PRO E 3 110 . 13.754 52.501 24.152 1.00 43.86 ? CG PRO A 110 1 -ATOM 2088 C CD . PRO E 3 110 . 12.804 53.626 24.564 1.00 46.08 ? CD PRO A 110 1 -ATOM 2089 N N . ASP E 3 111 . 12.848 53.311 20.904 1.00 37.97 ? N ASP A 111 1 -ATOM 2090 C CA . ASP E 3 111 . 12.653 52.671 19.625 1.00 39.63 ? CA ASP A 111 1 -ATOM 2091 C C . ASP E 3 111 . 13.221 53.406 18.418 1.00 44.48 ? C ASP A 111 1 -ATOM 2092 O O . ASP E 3 111 . 14.062 52.808 17.717 1.00 39.4 ? O ASP A 111 1 -ATOM 2093 C CB . ASP E 3 111 . 11.161 52.423 19.393 1.00 48.25 ? CB ASP A 111 1 -ATOM 2094 C CG . ASP E 3 111 . 10.895 51.126 18.591 1.00 48.08 ? CG ASP A 111 1 -ATOM 2095 O OD1 . ASP E 3 111 . 11.851 50.322 18.419 1.00 43.79 ? OD1 ASP A 111 1 -ATOM 2096 O OD2 . ASP E 3 111 . 9.738 50.901 18.145 1.00 47.39 ? OD2 ASP A 111 1 -ATOM 2097 N N . ILE E 3 112 . 12.816 54.667 18.167 1.00 48.35 ? N ILE A 112 1 -ATOM 2098 C CA . ILE E 3 112 . 13.295 55.373 16.956 1.00 44.75 ? CA ILE A 112 1 -ATOM 2099 C C . ILE E 3 112 . 14.773 55.701 16.961 1.00 41.87 ? C ILE A 112 1 -ATOM 2100 O O . ILE E 3 112 . 15.311 55.940 15.867 1.00 48.94 ? O ILE A 112 1 -ATOM 2101 C CB . ILE E 3 112 . 12.531 56.748 16.647 1.00 36.77 ? CB ILE A 112 1 -ATOM 2102 C CG1 . ILE E 3 112 . 12.367 57.586 17.918 1.00 37.3 ? CG1 ILE A 112 1 -ATOM 2103 C CG2 . ILE E 3 112 . 11.223 56.426 15.958 1.00 34.08 ? CG2 ILE A 112 1 -ATOM 2104 C CD1 . ILE E 3 112 . 13.649 58.261 18.423 1.00 36.8 ? CD1 ILE A 112 1 -ATOM 2105 N N . LEU E 3 113 . 15.446 55.745 18.113 1.00 31.61 ? N LEU A 113 1 -ATOM 2106 C CA . LEU E 3 113 . 16.881 55.939 17.971 1.00 27.12 ? CA LEU A 113 1 -ATOM 2107 C C . LEU E 3 113 . 17.323 54.705 17.234 1.00 27.97 ? C LEU A 113 1 -ATOM 2108 O O . LEU E 3 113 . 18.153 54.775 16.328 1.00 25.44 ? O LEU A 113 1 -ATOM 2109 C CB . LEU E 3 113 . 17.656 55.983 19.294 1.00 22.58 ? CB LEU A 113 1 -ATOM 2110 C CG . LEU E 3 113 . 19.141 56.235 18.988 1.00 18.06 ? CG LEU A 113 1 -ATOM 2111 C CD1 . LEU E 3 113 . 19.228 57.151 17.782 1.00 19.08 ? CD1 LEU A 113 1 -ATOM 2112 C CD2 . LEU E 3 113 . 19.853 56.889 20.172 1.00 20.1 ? CD2 LEU A 113 1 -ATOM 2113 N N . MET E 3 114 . 16.709 53.581 17.605 1.00 26.77 ? N MET A 114 1 -ATOM 2114 C CA . MET E 3 114 . 17.028 52.332 16.953 1.00 30.66 ? CA MET A 114 1 -ATOM 2115 C C . MET E 3 114 . 16.657 52.385 15.517 1.00 32.97 ? C MET A 114 1 -ATOM 2116 O O . MET E 3 114 . 17.494 52.024 14.703 1.00 45.97 ? O MET A 114 1 -ATOM 2117 C CB . MET E 3 114 . 16.300 51.130 17.575 1.00 33.3 ? CB MET A 114 1 -ATOM 2118 C CG . MET E 3 114 . 17.002 50.465 18.783 1.00 37.71 ? CG MET A 114 1 -ATOM 2119 S SD . MET E 3 114 . 18.657 49.730 18.472 1.00 45.94 ? SD MET A 114 1 -ATOM 2120 C CE . MET E 3 114 . 18.267 48.085 17.927 1.00 48.02 ? CE MET A 114 1 -ATOM 2121 N N . ARG E 3 115 . 15.449 52.827 15.170 1.00 34.44 ? N ARG A 115 1 -ATOM 2122 C CA . ARG E 3 115 . 15.096 52.839 13.735 1.00 34.05 ? CA ARG A 115 1 -ATOM 2123 C C . ARG E 3 115 . 15.974 53.780 12.918 1.00 25.98 ? C ARG A 115 1 -ATOM 2124 O O . ARG E 3 115 . 16.183 53.550 11.743 1.00 28.7 ? O ARG A 115 1 -ATOM 2125 C CB . ARG E 3 115 . 13.595 53.211 13.520 1.00 28.57 ? CB ARG A 115 1 -ATOM 2126 C CG . ARG E 3 115 . 12.626 51.996 13.837 1.00 24.98 ? CG ARG A 115 1 -ATOM 2127 C CD . ARG E 3 115 . 11.093 52.206 13.574 1.00 27.12 ? CD ARG A 115 1 -ATOM 2128 N NE . ARG E 3 115 . 10.280 51.531 14.598 1.00 28.89 ? NE ARG A 115 1 -ATOM 2129 C CZ . ARG E 3 115 . 8.998 51.138 14.498 1.00 35.35 ? CZ ARG A 115 1 -ATOM 2130 N NH1 . ARG E 3 115 . 8.269 51.314 13.393 1.00 27.17 ? NH1 ARG A 115 1 -ATOM 2131 N NH2 . ARG E 3 115 . 8.405 50.582 15.559 1.00 34.01 ? NH2 ARG A 115 1 -ATOM 2132 N N . LEU E 3 116 . 16.528 54.815 13.517 1.00 25.4 ? N LEU A 116 1 -ATOM 2133 C CA . LEU E 3 116 . 17.410 55.673 12.750 1.00 20.29 ? CA LEU A 116 1 -ATOM 2134 C C . LEU E 3 116 . 18.768 54.960 12.568 1.00 27.21 ? C LEU A 116 1 -ATOM 2135 O O . LEU E 3 116 . 19.220 54.727 11.451 1.00 37.2 ? O LEU A 116 1 -ATOM 2136 C CB . LEU E 3 116 . 17.569 56.990 13.497 1.00 24.72 ? CB LEU A 116 1 -ATOM 2137 C CG . LEU E 3 116 . 18.483 58.072 12.934 1.00 27.81 ? CG LEU A 116 1 -ATOM 2138 C CD1 . LEU E 3 116 . 17.667 59.205 12.381 1.00 33.13 ? CD1 LEU A 116 1 -ATOM 2139 C CD2 . LEU E 3 116 . 19.365 58.610 14.058 1.00 30.23 ? CD2 LEU A 116 1 -ATOM 2140 N N . SER E 3 117 . 19.415 54.578 13.662 1.00 38.07 ? N SER A 117 1 -ATOM 2141 C CA . SER E 3 117 . 20.719 53.884 13.625 1.00 36.79 ? CA SER A 117 1 -ATOM 2142 C C . SER E 3 117 . 20.775 52.740 12.617 1.00 37.19 ? C SER A 117 1 -ATOM 2143 O O . SER E 3 117 . 21.813 52.478 11.992 1.00 42.34 ? O SER A 117 1 -ATOM 2144 C CB . SER E 3 117 . 21.069 53.295 14.996 1.00 38.67 ? CB SER A 117 1 -ATOM 2145 O OG . SER E 3 117 . 21.440 54.306 15.913 1.00 36.02 ? OG SER A 117 1 -ATOM 2146 N N . ALA E 3 118 . 19.663 52.040 12.476 1.00 22.6 ? N ALA A 118 1 -ATOM 2147 C CA . ALA E 3 118 . 19.629 50.945 11.554 1.00 19.84 ? CA ALA A 118 1 -ATOM 2148 C C . ALA E 3 118 . 19.901 51.440 10.131 1.00 22.4 ? C ALA A 118 1 -ATOM 2149 O O . ALA E 3 118 . 20.735 50.855 9.421 1.00 27.22 ? O ALA A 118 1 -ATOM 2150 C CB . ALA E 3 118 . 18.265 50.268 11.648 1.00 24.15 ? CB ALA A 118 1 -ATOM 2151 N N . GLN E 3 119 . 19.221 52.526 9.727 1.00 28.22 ? N GLN A 119 1 -ATOM 2152 C CA . GLN E 3 119 . 19.362 53.105 8.372 1.00 24.21 ? CA GLN A 119 1 -ATOM 2153 C C . GLN E 3 119 . 20.757 53.580 8.133 1.00 23.19 ? C GLN A 119 1 -ATOM 2154 O O . GLN E 3 119 . 21.231 53.510 7.012 1.00 30.33 ? O GLN A 119 1 -ATOM 2155 C CB . GLN E 3 119 . 18.427 54.288 8.166 1.00 18.3 ? CB GLN A 119 1 -ATOM 2156 C CG . GLN E 3 119 . 16.947 53.888 8.132 1.00 17.35 ? CG GLN A 119 1 -ATOM 2157 C CD . GLN E 3 119 . 16.015 55.084 8.034 1.00 14.29 ? CD GLN A 119 1 -ATOM 2158 O OE1 . GLN E 3 119 . 16.451 56.249 7.981 1.00 17.8 ? OE1 GLN A 119 1 -ATOM 2159 N NE2 . GLN E 3 119 . 14.723 54.806 7.998 1.00 7.09 ? NE2 GLN A 119 1 -ATOM 2160 N N . MET E 3 120 . 21.414 54.052 9.186 1.00 19.53 ? N MET A 120 1 -ATOM 2161 C CA . MET E 3 120 . 22.786 54.523 9.091 1.00 14.14 ? CA MET A 120 1 -ATOM 2162 C C . MET E 3 120 . 23.732 53.344 9.010 1.00 14.33 ? C MET A 120 1 -ATOM 2163 O O . MET E 3 120 . 24.902 53.517 8.733 1.00 24.43 ? O MET A 120 1 -ATOM 2164 C CB . MET E 3 120 . 23.191 55.363 10.317 1.00 19.81 ? CB MET A 120 1 -ATOM 2165 C CG . MET E 3 120 . 22.223 56.439 10.763 1.00 19.08 ? CG MET A 120 1 -ATOM 2166 S SD . MET E 3 120 . 23.222 57.697 11.506 1.00 23.1 ? SD MET A 120 1 -ATOM 2167 C CE . MET E 3 120 . 23.537 57.081 13.075 1.00 10.79 ? CE MET A 120 1 -ATOM 2168 N N . ALA E 3 121 . 23.259 52.145 9.311 1.00 20.5 ? N ALA A 121 1 -ATOM 2169 C CA . ALA E 3 121 . 24.121 50.970 9.204 1.00 18.62 ? CA ALA A 121 1 -ATOM 2170 C C . ALA E 3 121 . 24.156 50.560 7.731 1.00 18.96 ? C ALA A 121 1 -ATOM 2171 O O . ALA E 3 121 . 25.211 50.337 7.152 1.00 15.12 ? O ALA A 121 1 -ATOM 2172 C CB . ALA E 3 121 . 23.560 49.851 10.061 1.00 17.1 ? CB ALA A 121 1 -ATOM 2173 N N . ARG E 3 122 . 22.987 50.464 7.119 1.00 20.5 ? N ARG A 122 1 -ATOM 2174 C CA . ARG E 3 122 . 22.920 50.153 5.698 1.00 18.16 ? CA ARG A 122 1 -ATOM 2175 C C . ARG E 3 122 . 23.799 51.131 4.940 1.00 21.1 ? C ARG A 122 1 -ATOM 2176 O O . ARG E 3 122 . 24.712 50.739 4.200 1.00 27.08 ? O ARG A 122 1 -ATOM 2177 C CB . ARG E 3 122 . 21.519 50.315 5.131 1.00 26.23 ? CB ARG A 122 1 -ATOM 2178 C CG . ARG E 3 122 . 20.632 49.118 4.997 1.00 32.55 ? CG ARG A 122 1 -ATOM 2179 C CD . ARG E 3 122 . 21.245 48.032 4.128 1.00 36.45 ? CD ARG A 122 1 -ATOM 2180 N NE . ARG E 3 122 . 22.133 47.193 4.924 1.00 29.17 ? NE ARG A 122 1 -ATOM 2181 C CZ . ARG E 3 122 . 21.705 46.407 5.904 1.00 31.31 ? CZ ARG A 122 1 -ATOM 2182 N NH1 . ARG E 3 122 . 20.404 46.360 6.189 1.00 15.69 ? NH1 ARG A 122 1 -ATOM 2183 N NH2 . ARG E 3 122 . 22.574 45.687 6.608 1.00 34.39 ? NH2 ARG A 122 1 -ATOM 2184 N N . ARG E 3 123 . 23.537 52.422 5.137 1.00 13.99 ? N ARG A 123 1 -ATOM 2185 C CA . ARG E 3 123 . 24.270 53.428 4.383 1.00 6 ? CA ARG A 123 1 -ATOM 2186 C C . ARG E 3 123 . 25.763 53.258 4.407 1.00 6 ? C ARG A 123 1 -ATOM 2187 O O . ARG E 3 123 . 26.442 53.500 3.420 1.00 15.85 ? O ARG A 123 1 -ATOM 2188 C CB . ARG E 3 123 . 23.933 54.805 4.895 1.00 6 ? CB ARG A 123 1 -ATOM 2189 C CG . ARG E 3 123 . 22.506 55.089 4.676 1.00 6 ? CG ARG A 123 1 -ATOM 2190 C CD . ARG E 3 123 . 22.106 56.403 5.197 1.00 10.26 ? CD ARG A 123 1 -ATOM 2191 N NE . ARG E 3 123 . 20.651 56.496 5.193 1.00 13.27 ? NE ARG A 123 1 -ATOM 2192 C CZ . ARG E 3 123 . 20.015 57.592 5.590 1.00 13.62 ? CZ ARG A 123 1 -ATOM 2193 N NH1 . ARG E 3 123 . 20.722 58.637 6.011 1.00 14.69 ? NH1 ARG A 123 1 -ATOM 2194 N NH2 . ARG E 3 123 . 18.689 57.658 5.531 1.00 16.88 ? NH2 ARG A 123 1 -ATOM 2195 N N . LEU E 3 124 . 26.319 52.814 5.505 1.00 9.91 ? N LEU A 124 1 -ATOM 2196 C CA . LEU E 3 124 . 27.761 52.718 5.489 1.00 11.28 ? CA LEU A 124 1 -ATOM 2197 C C . LEU E 3 124 . 28.113 51.476 4.713 1.00 10.41 ? C LEU A 124 1 -ATOM 2198 O O . LEU E 3 124 . 29.233 51.355 4.194 1.00 16.33 ? O LEU A 124 1 -ATOM 2199 C CB . LEU E 3 124 . 28.307 52.645 6.931 1.00 6.34 ? CB LEU A 124 1 -ATOM 2200 C CG . LEU E 3 124 . 29.815 52.737 7.161 1.00 12.65 ? CG LEU A 124 1 -ATOM 2201 C CD1 . LEU E 3 124 . 30.422 54.077 6.678 1.00 6 ? CD1 LEU A 124 1 -ATOM 2202 C CD2 . LEU E 3 124 . 30.005 52.537 8.664 1.00 16 ? CD2 LEU A 124 1 -ATOM 2203 N N . GLN E 3 125 . 27.190 50.518 4.660 1.00 7.92 ? N GLN A 125 1 -ATOM 2204 C CA . GLN E 3 125 . 27.510 49.324 3.878 1.00 8.94 ? CA GLN A 125 1 -ATOM 2205 C C . GLN E 3 125 . 27.444 49.722 2.431 1.00 8.42 ? C GLN A 125 1 -ATOM 2206 O O . GLN E 3 125 . 28.398 49.513 1.683 1.00 17.44 ? O GLN A 125 1 -ATOM 2207 C CB . GLN E 3 125 . 26.517 48.203 4.105 1.00 15.87 ? CB GLN A 125 1 -ATOM 2208 C CG . GLN E 3 125 . 26.741 47.346 5.288 1.00 16.47 ? CG GLN A 125 1 -ATOM 2209 C CD . GLN E 3 125 . 25.516 46.564 5.541 1.00 15.39 ? CD GLN A 125 1 -ATOM 2210 O OE1 . GLN E 3 125 . 24.528 47.149 5.871 1.00 21.61 ? OE1 GLN A 125 1 -ATOM 2211 N NE2 . GLN E 3 125 . 25.545 45.247 5.346 1.00 28.19 ? NE2 GLN A 125 1 -ATOM 2212 N N . VAL E 3 126 . 26.347 50.346 2.042 1.00 6 ? N VAL A 126 1 -ATOM 2213 C CA . VAL E 3 126 . 26.253 50.702 0.670 1.00 6 ? CA VAL A 126 1 -ATOM 2214 C C . VAL E 3 126 . 27.383 51.622 0.227 1.00 8.1 ? C VAL A 126 1 -ATOM 2215 O O . VAL E 3 126 . 27.978 51.406 -0.846 1.00 17.67 ? O VAL A 126 1 -ATOM 2216 C CB . VAL E 3 126 . 24.928 51.357 0.416 1.00 6 ? CB VAL A 126 1 -ATOM 2217 C CG1 . VAL E 3 126 . 24.803 51.780 -1.051 1.00 13.12 ? CG1 VAL A 126 1 -ATOM 2218 C CG2 . VAL E 3 126 . 23.849 50.360 0.749 1.00 7.74 ? CG2 VAL A 126 1 -ATOM 2219 N N . THR E 3 127 . 27.721 52.604 1.052 1.00 6 ? N THR A 127 1 -ATOM 2220 C CA . THR E 3 127 . 28.733 53.532 0.690 1.00 6 ? CA THR A 127 1 -ATOM 2221 C C . THR E 3 127 . 30.055 52.911 0.657 1.00 6 ? C THR A 127 1 -ATOM 2222 O O . THR E 3 127 . 30.918 53.374 -0.087 1.00 13.11 ? O THR A 127 1 -ATOM 2223 C CB . THR E 3 127 . 28.745 54.701 1.657 1.00 11.39 ? CB THR A 127 1 -ATOM 2224 O OG1 . THR E 3 127 . 27.427 55.255 1.683 1.00 13.01 ? OG1 THR A 127 1 -ATOM 2225 C CG2 . THR E 3 127 . 29.694 55.832 1.192 1.00 6 ? CG2 THR A 127 1 -ATOM 2226 N N . SER E 3 128 . 30.259 51.878 1.462 1.00 12.31 ? N SER A 128 1 -ATOM 2227 C CA . SER E 3 128 . 31.563 51.178 1.477 1.00 14.09 ? CA SER A 128 1 -ATOM 2228 C C . SER E 3 128 . 31.762 50.427 0.187 1.00 10.53 ? C SER A 128 1 -ATOM 2229 O O . SER E 3 128 . 32.861 50.334 -0.308 1.00 6 ? O SER A 128 1 -ATOM 2230 C CB . SER E 3 128 . 31.655 50.170 2.631 1.00 10.98 ? CB SER A 128 1 -ATOM 2231 O OG . SER E 3 128 . 31.974 50.830 3.844 1.00 14.25 ? OG SER A 128 1 -ATOM 2232 N N . GLU E 3 129 . 30.650 49.883 -0.309 1.00 20.35 ? N GLU A 129 1 -ATOM 2233 C CA . GLU E 3 129 . 30.589 49.141 -1.543 1.00 23.84 ? CA GLU A 129 1 -ATOM 2234 C C . GLU E 3 129 . 30.949 50.110 -2.668 1.00 22.94 ? C GLU A 129 1 -ATOM 2235 O O . GLU E 3 129 . 31.856 49.806 -3.488 1.00 22.27 ? O GLU A 129 1 -ATOM 2236 C CB . GLU E 3 129 . 29.173 48.588 -1.726 1.00 23.35 ? CB GLU A 129 1 -ATOM 2237 C CG . GLU E 3 129 . 28.958 47.628 -2.886 1.00 25.33 ? CG GLU A 129 1 -ATOM 2238 C CD . GLU E 3 129 . 27.500 47.672 -3.411 1.00 40.56 ? CD GLU A 129 1 -ATOM 2239 O OE1 . GLU E 3 129 . 26.597 48.146 -2.682 1.00 38.47 ? OE1 GLU A 129 1 -ATOM 2240 O OE2 . GLU E 3 129 . 27.238 47.256 -4.573 1.00 47.9 ? OE2 GLU A 129 1 -ATOM 2241 N N . LYS E 3 130 . 30.272 51.270 -2.686 1.00 9.38 ? N LYS A 130 1 -ATOM 2242 C CA . LYS E 3 130 . 30.550 52.281 -3.708 1.00 7.04 ? CA LYS A 130 1 -ATOM 2243 C C . LYS E 3 130 . 32.003 52.608 -3.794 1.00 7.28 ? C LYS A 130 1 -ATOM 2244 O O . LYS E 3 130 . 32.503 52.849 -4.882 1.00 13.23 ? O LYS A 130 1 -ATOM 2245 C CB . LYS E 3 130 . 29.827 53.602 -3.455 1.00 8.63 ? CB LYS A 130 1 -ATOM 2246 C CG . LYS E 3 130 . 30.187 54.652 -4.516 1.00 12.81 ? CG LYS A 130 1 -ATOM 2247 C CD . LYS E 3 130 . 29.368 55.948 -4.450 1.00 16.18 ? CD LYS A 130 1 -ATOM 2248 C CE . LYS E 3 130 . 27.935 55.780 -4.926 1.00 12.95 ? CE LYS A 130 1 -ATOM 2249 N NZ . LYS E 3 130 . 27.781 56.616 -6.148 1.00 22.3 ? NZ LYS A 130 1 -ATOM 2250 N N . VAL E 3 131 . 32.684 52.656 -2.652 1.00 8.09 ? N VAL A 131 1 -ATOM 2251 C CA . VAL E 3 131 . 34.114 52.926 -2.690 1.00 7.49 ? CA VAL A 131 1 -ATOM 2252 C C . VAL E 3 131 . 34.848 51.662 -3.126 1.00 8.99 ? C VAL A 131 1 -ATOM 2253 O O . VAL E 3 131 . 36.014 51.685 -3.466 1.00 19.06 ? O VAL A 131 1 -ATOM 2254 C CB . VAL E 3 131 . 34.600 53.392 -1.305 1.00 6 ? CB VAL A 131 1 -ATOM 2255 C CG1 . VAL E 3 131 . 36.077 53.814 -1.366 1.00 6 ? CG1 VAL A 131 1 -ATOM 2256 C CG2 . VAL E 3 131 . 33.742 54.559 -0.858 1.00 6 ? CG2 VAL A 131 1 -ATOM 2257 N N . GLY E 3 132 . 34.178 50.519 -3.073 1.00 11.39 ? N GLY A 132 1 -ATOM 2258 C CA . GLY E 3 132 . 34.810 49.342 -3.623 1.00 6.63 ? CA GLY A 132 1 -ATOM 2259 C C . GLY E 3 132 . 34.719 49.479 -5.150 1.00 13.79 ? C GLY A 132 1 -ATOM 2260 O O . GLY E 3 132 . 35.727 49.433 -5.891 1.00 6 ? O GLY A 132 1 -ATOM 2261 N N . ASN E 3 133 . 33.493 49.698 -5.632 1.00 13.46 ? N ASN A 133 1 -ATOM 2262 C CA . ASN E 3 133 . 33.268 49.866 -7.061 1.00 15.82 ? CA ASN A 133 1 -ATOM 2263 C C . ASN E 3 133 . 34.171 50.944 -7.692 1.00 15.49 ? C ASN A 133 1 -ATOM 2264 O O . ASN E 3 133 . 34.839 50.661 -8.681 1.00 23.4 ? O ASN A 133 1 -ATOM 2265 C CB . ASN E 3 133 . 31.793 50.185 -7.281 1.00 16.61 ? CB ASN A 133 1 -ATOM 2266 C CG . ASN E 3 133 . 30.907 49.006 -6.889 1.00 28 ? CG ASN A 133 1 -ATOM 2267 O OD1 . ASN E 3 133 . 31.415 47.957 -6.479 1.00 32.39 ? OD1 ASN A 133 1 -ATOM 2268 N ND2 . ASN E 3 133 . 29.592 49.165 -7.004 1.00 21.42 ? ND2 ASN A 133 1 -ATOM 2269 N N . LEU E 3 134 . 34.261 52.142 -7.130 1.00 14.32 ? N LEU A 134 1 -ATOM 2270 C CA . LEU E 3 134 . 35.111 53.170 -7.727 1.00 6 ? CA LEU A 134 1 -ATOM 2271 C C . LEU E 3 134 . 36.531 52.736 -7.784 1.00 6 ? C LEU A 134 1 -ATOM 2272 O O . LEU E 3 134 . 37.214 52.973 -8.747 1.00 6 ? O LEU A 134 1 -ATOM 2273 C CB . LEU E 3 134 . 35.015 54.456 -6.923 1.00 6.52 ? CB LEU A 134 1 -ATOM 2274 C CG . LEU E 3 134 . 33.641 55.101 -7.002 1.00 6 ? CG LEU A 134 1 -ATOM 2275 C CD1 . LEU E 3 134 . 33.357 56.084 -5.916 1.00 6 ? CD1 LEU A 134 1 -ATOM 2276 C CD2 . LEU E 3 134 . 33.643 55.812 -8.335 1.00 8.39 ? CD2 LEU A 134 1 -ATOM 2277 N N . ALA E 3 135 . 36.988 52.081 -6.744 1.00 6 ? N ALA A 135 1 -ATOM 2278 C CA . ALA E 3 135 . 38.371 51.661 -6.713 1.00 7.49 ? CA ALA A 135 1 -ATOM 2279 C C . ALA E 3 135 . 38.695 50.369 -7.487 1.00 13.28 ? C ALA A 135 1 -ATOM 2280 O O . ALA E 3 135 . 39.851 50.177 -7.925 1.00 10.07 ? O ALA A 135 1 -ATOM 2281 C CB . ALA E 3 135 . 38.788 51.493 -5.287 1.00 8.22 ? CB ALA A 135 1 -ATOM 2282 N N . PHE E 3 136 . 37.733 49.463 -7.644 1.00 11.22 ? N PHE A 136 1 -ATOM 2283 C CA . PHE E 3 136 . 38.050 48.207 -8.336 1.00 12.27 ? CA PHE A 136 1 -ATOM 2284 C C . PHE E 3 136 . 37.510 48.069 -9.758 1.00 18.15 ? C PHE A 136 1 -ATOM 2285 O O . PHE E 3 136 . 38.240 47.615 -10.625 1.00 20.61 ? O PHE A 136 1 -ATOM 2286 C CB . PHE E 3 136 . 37.527 47.002 -7.554 1.00 15.98 ? CB PHE A 136 1 -ATOM 2287 C CG . PHE E 3 136 . 38.115 46.833 -6.169 1.00 9.7 ? CG PHE A 136 1 -ATOM 2288 C CD1 . PHE E 3 136 . 39.408 47.235 -5.890 1.00 6 ? CD1 PHE A 136 1 -ATOM 2289 C CD2 . PHE E 3 136 . 37.351 46.237 -5.170 1.00 8.62 ? CD2 PHE A 136 1 -ATOM 2290 C CE1 . PHE E 3 136 . 39.936 47.057 -4.674 1.00 10.48 ? CE1 PHE A 136 1 -ATOM 2291 C CE2 . PHE E 3 136 . 37.867 46.050 -3.940 1.00 15.19 ? CE2 PHE A 136 1 -ATOM 2292 C CZ . PHE E 3 136 . 39.170 46.463 -3.679 1.00 7.26 ? CZ PHE A 136 1 -ATOM 2293 N N . LEU E 3 137 . 36.246 48.412 -10.001 1.00 14.88 ? N LEU A 137 1 -ATOM 2294 C CA . LEU E 3 137 . 35.623 48.245 -11.330 1.00 14.02 ? CA LEU A 137 1 -ATOM 2295 C C . LEU E 3 137 . 36.005 49.277 -12.358 1.00 16.69 ? C LEU A 137 1 -ATOM 2296 O O . LEU E 3 137 . 36.425 50.377 -12.007 1.00 18.42 ? O LEU A 137 1 -ATOM 2297 C CB . LEU E 3 137 . 34.095 48.285 -11.246 1.00 13.92 ? CB LEU A 137 1 -ATOM 2298 C CG . LEU E 3 137 . 33.285 46.992 -11.118 1.00 18.52 ? CG LEU A 137 1 -ATOM 2299 C CD1 . LEU E 3 137 . 34.235 45.819 -11.204 1.00 13.9 ? CD1 LEU A 137 1 -ATOM 2300 C CD2 . LEU E 3 137 . 32.528 46.974 -9.862 1.00 10.79 ? CD2 LEU A 137 1 -ATOM 2301 N N . ASP E 3 138 . 35.892 48.909 -13.638 1.00 18.47 ? N ASP A 138 1 -ATOM 2302 C CA . ASP E 3 138 . 36.075 49.900 -14.701 1.00 20.43 ? CA ASP A 138 1 -ATOM 2303 C C . ASP E 3 138 . 34.683 50.375 -15.058 1.00 15.8 ? C ASP A 138 1 -ATOM 2304 O O . ASP E 3 138 . 33.692 49.779 -14.642 1.00 21.43 ? O ASP A 138 1 -ATOM 2305 C CB . ASP E 3 138 . 36.789 49.316 -15.979 1.00 24.22 ? CB ASP A 138 1 -ATOM 2306 C CG . ASP E 3 138 . 36.089 48.116 -16.621 1.00 26.66 ? CG ASP A 138 1 -ATOM 2307 O OD1 . ASP E 3 138 . 34.874 47.871 -16.389 1.00 28.12 ? OD1 ASP A 138 1 -ATOM 2308 O OD2 . ASP E 3 138 . 36.802 47.410 -17.380 1.00 19.3 ? OD2 ASP A 138 1 -ATOM 2309 N N . VAL E 3 139 . 34.597 51.415 -15.863 1.00 11.09 ? N VAL A 139 1 -ATOM 2310 C CA . VAL E 3 139 . 33.297 51.997 -16.168 1.00 10.6 ? CA VAL A 139 1 -ATOM 2311 C C . VAL E 3 139 . 32.211 50.990 -16.565 1.00 8.76 ? C VAL A 139 1 -ATOM 2312 O O . VAL E 3 139 . 31.141 50.991 -15.947 1.00 19.97 ? O VAL A 139 1 -ATOM 2313 C CB . VAL E 3 139 . 33.421 53.060 -17.306 1.00 23.65 ? CB VAL A 139 1 -ATOM 2314 C CG1 . VAL E 3 139 . 32.126 53.838 -17.415 1.00 27.54 ? CG1 VAL A 139 1 -ATOM 2315 C CG2 . VAL E 3 139 . 34.571 54.013 -17.013 1.00 27.6 ? CG2 VAL A 139 1 -ATOM 2316 N N . THR E 3 140 . 32.412 50.135 -17.554 1.00 6.9 ? N THR A 140 1 -ATOM 2317 C CA . THR E 3 140 . 31.315 49.225 -17.879 1.00 6 ? CA THR A 140 1 -ATOM 2318 C C . THR E 3 140 . 30.966 48.455 -16.624 1.00 6 ? C THR A 140 1 -ATOM 2319 O O . THR E 3 140 . 29.806 48.228 -16.340 1.00 11.3 ? O THR A 140 1 -ATOM 2320 C CB . THR E 3 140 . 31.727 48.261 -19.009 1.00 9.97 ? CB THR A 140 1 -ATOM 2321 O OG1 . THR E 3 140 . 32.537 48.964 -19.966 1.00 14.22 ? OG1 THR A 140 1 -ATOM 2322 C CG2 . THR E 3 140 . 30.481 47.773 -19.787 1.00 8.92 ? CG2 THR A 140 1 -ATOM 2323 N N . GLY E 3 141 . 31.974 48.094 -15.842 1.00 6 ? N GLY A 141 1 -ATOM 2324 C CA . GLY E 3 141 . 31.715 47.429 -14.582 1.00 6 ? CA GLY A 141 1 -ATOM 2325 C C . GLY E 3 141 . 30.776 48.280 -13.774 1.00 6 ? C GLY A 141 1 -ATOM 2326 O O . GLY E 3 141 . 29.593 47.947 -13.632 1.00 6 ? O GLY A 141 1 -ATOM 2327 N N . ARG E 3 142 . 31.269 49.410 -13.275 1.00 8.33 ? N ARG A 142 1 -ATOM 2328 C CA . ARG E 3 142 . 30.418 50.321 -12.491 1.00 8.67 ? CA ARG A 142 1 -ATOM 2329 C C . ARG E 3 142 . 29.060 50.640 -13.185 1.00 14.33 ? C ARG A 142 1 -ATOM 2330 O O . ARG E 3 142 . 28.063 50.771 -12.491 1.00 24.43 ? O ARG A 142 1 -ATOM 2331 C CB . ARG E 3 142 . 31.098 51.673 -12.239 1.00 14.77 ? CB ARG A 142 1 -ATOM 2332 C CG . ARG E 3 142 . 32.577 51.727 -11.785 1.00 15.47 ? CG ARG A 142 1 -ATOM 2333 C CD . ARG E 3 142 . 32.890 53.245 -11.747 1.00 12.12 ? CD ARG A 142 1 -ATOM 2334 N NE . ARG E 3 142 . 34.264 53.647 -12.052 1.00 17.85 ? NE ARG A 142 1 -ATOM 2335 C CZ . ARG E 3 142 . 34.586 54.785 -12.682 1.00 28.81 ? CZ ARG A 142 1 -ATOM 2336 N NH1 . ARG E 3 142 . 33.637 55.641 -13.081 1.00 17.92 ? NH1 ARG A 142 1 -ATOM 2337 N NH2 . ARG E 3 142 . 35.862 55.074 -12.932 1.00 30.01 ? NH2 ARG A 142 1 -ATOM 2338 N N . ILE E 3 143 . 28.963 50.798 -14.504 1.00 9.1 ? N ILE A 143 1 -ATOM 2339 C CA . ILE E 3 143 . 27.638 51.093 -15.077 1.00 13.32 ? CA ILE A 143 1 -ATOM 2340 C C . ILE E 3 143 . 26.683 49.885 -15.028 1.00 9.08 ? C ILE A 143 1 -ATOM 2341 O O . ILE E 3 143 . 25.474 50.048 -14.825 1.00 9.51 ? O ILE A 143 1 -ATOM 2342 C CB . ILE E 3 143 . 27.719 51.531 -16.546 1.00 7.25 ? CB ILE A 143 1 -ATOM 2343 C CG1 . ILE E 3 143 . 28.510 52.823 -16.666 1.00 11.11 ? CG1 ILE A 143 1 -ATOM 2344 C CG2 . ILE E 3 143 . 26.347 51.820 -17.057 1.00 6 ? CG2 ILE A 143 1 -ATOM 2345 C CD1 . ILE E 3 143 . 28.858 53.219 -18.070 1.00 9.93 ? CD1 ILE A 143 1 -ATOM 2346 N N . ALA E 3 144 . 27.199 48.677 -15.211 1.00 16 ? N ALA A 144 1 -ATOM 2347 C CA . ALA E 3 144 . 26.341 47.473 -15.131 1.00 18.2 ? CA ALA A 144 1 -ATOM 2348 C C . ALA E 3 144 . 25.727 47.342 -13.740 1.00 17.06 ? C ALA A 144 1 -ATOM 2349 O O . ALA E 3 144 . 24.539 47.038 -13.595 1.00 6.15 ? O ALA A 144 1 -ATOM 2350 C CB . ALA E 3 144 . 27.159 46.196 -15.427 1.00 6 ? CB ALA A 144 1 -ATOM 2351 N N . GLN E 3 145 . 26.591 47.540 -12.736 1.00 23.1 ? N GLN A 145 1 -ATOM 2352 C CA . GLN E 3 145 . 26.270 47.467 -11.307 1.00 18.67 ? CA GLN A 145 1 -ATOM 2353 C C . GLN E 3 145 . 25.226 48.538 -10.963 1.00 21.12 ? C GLN A 145 1 -ATOM 2354 O O . GLN E 3 145 . 24.215 48.214 -10.337 1.00 28.84 ? O GLN A 145 1 -ATOM 2355 C CB . GLN E 3 145 . 27.546 47.684 -10.501 1.00 21.31 ? CB GLN A 145 1 -ATOM 2356 C CG . GLN E 3 145 . 27.602 47.047 -9.123 1.00 33.02 ? CG GLN A 145 1 -ATOM 2357 C CD . GLN E 3 145 . 27.873 45.537 -9.172 1.00 45.71 ? CD GLN A 145 1 -ATOM 2358 O OE1 . GLN E 3 145 . 28.954 45.073 -9.599 1.00 34.24 ? OE1 GLN A 145 1 -ATOM 2359 N NE2 . GLN E 3 145 . 26.888 44.761 -8.726 1.00 43.32 ? NE2 GLN A 145 1 -ATOM 2360 N N . THR E 3 146 . 25.450 49.793 -11.370 1.00 14.14 ? N THR A 146 1 -ATOM 2361 C CA . THR E 3 146 . 24.469 50.865 -11.143 1.00 9.07 ? CA THR A 146 1 -ATOM 2362 C C . THR E 3 146 . 23.115 50.371 -11.656 1.00 8.49 ? C THR A 146 1 -ATOM 2363 O O . THR E 3 146 . 22.087 50.515 -10.993 1.00 7.65 ? O THR A 146 1 -ATOM 2364 C CB . THR E 3 146 . 24.770 52.174 -11.927 1.00 8.96 ? CB THR A 146 1 -ATOM 2365 O OG1 . THR E 3 146 . 26.026 52.756 -11.558 1.00 6 ? OG1 THR A 146 1 -ATOM 2366 C CG2 . THR E 3 146 . 23.716 53.151 -11.619 1.00 16.6 ? CG2 THR A 146 1 -ATOM 2367 N N . LEU E 3 147 . 23.125 49.787 -12.849 1.00 13.2 ? N LEU A 147 1 -ATOM 2368 C CA . LEU E 3 147 . 21.901 49.257 -13.455 1.00 17.02 ? CA LEU A 147 1 -ATOM 2369 C C . LEU E 3 147 . 21.290 48.048 -12.687 1.00 15.91 ? C LEU A 147 1 -ATOM 2370 O O . LEU E 3 147 . 20.046 47.900 -12.646 1.00 10.13 ? O LEU A 147 1 -ATOM 2371 C CB . LEU E 3 147 . 22.231 48.902 -14.895 1.00 13.49 ? CB LEU A 147 1 -ATOM 2372 C CG . LEU E 3 147 . 21.718 49.766 -16.043 1.00 12.52 ? CG LEU A 147 1 -ATOM 2373 C CD1 . LEU E 3 147 . 21.682 51.205 -15.746 1.00 13.58 ? CD1 LEU A 147 1 -ATOM 2374 C CD2 . LEU E 3 147 . 22.642 49.481 -17.183 1.00 16.72 ? CD2 LEU A 147 1 -ATOM 2375 N N . LEU E 3 148 . 22.136 47.188 -12.108 1.00 13.52 ? N LEU A 148 1 -ATOM 2376 C CA . LEU E 3 148 . 21.672 46.093 -11.237 1.00 12.77 ? CA LEU A 148 1 -ATOM 2377 C C . LEU E 3 148 . 20.957 46.716 -10.029 1.00 9.33 ? C LEU A 148 1 -ATOM 2378 O O . LEU E 3 148 . 19.821 46.363 -9.705 1.00 20.82 ? O LEU A 148 1 -ATOM 2379 C CB . LEU E 3 148 . 22.859 45.255 -10.757 1.00 11.31 ? CB LEU A 148 1 -ATOM 2380 C CG . LEU E 3 148 . 23.119 43.965 -11.554 1.00 16.51 ? CG LEU A 148 1 -ATOM 2381 C CD1 . LEU E 3 148 . 22.838 44.243 -13.038 1.00 18.44 ? CD1 LEU A 148 1 -ATOM 2382 C CD2 . LEU E 3 148 . 24.571 43.473 -11.311 1.00 6 ? CD2 LEU A 148 1 -ATOM 2383 N N . ASN E 3 149 . 21.613 47.675 -9.387 1.00 12.17 ? N ASN A 149 1 -ATOM 2384 C CA . ASN E 3 149 . 21.030 48.421 -8.256 1.00 15.27 ? CA ASN A 149 1 -ATOM 2385 C C . ASN E 3 149 . 19.686 49.181 -8.610 1.00 15.38 ? C ASN A 149 1 -ATOM 2386 O O . ASN E 3 149 . 18.649 48.909 -7.995 1.00 24.01 ? O ASN A 149 1 -ATOM 2387 C CB . ASN E 3 149 . 22.006 49.486 -7.725 1.00 20.01 ? CB ASN A 149 1 -ATOM 2388 C CG . ASN E 3 149 . 23.327 48.925 -7.208 1.00 31.03 ? CG ASN A 149 1 -ATOM 2389 O OD1 . ASN E 3 149 . 23.435 47.759 -6.833 1.00 28.47 ? OD1 ASN A 149 1 -ATOM 2390 N ND2 . ASN E 3 149 . 24.351 49.781 -7.180 1.00 21.92 ? ND2 ASN A 149 1 -ATOM 2391 N N . LEU E 3 150 . 19.669 50.091 -9.597 1.00 14.5 ? N LEU A 150 1 -ATOM 2392 C CA . LEU E 3 150 . 18.467 50.916 -9.836 1.00 16.03 ? CA LEU A 150 1 -ATOM 2393 C C . LEU E 3 150 . 17.331 50.046 -10.313 1.00 17.72 ? C LEU A 150 1 -ATOM 2394 O O . LEU E 3 150 . 16.128 50.367 -10.134 1.00 14.96 ? O LEU A 150 1 -ATOM 2395 C CB . LEU E 3 150 . 18.674 52.014 -10.919 1.00 13.33 ? CB LEU A 150 1 -ATOM 2396 C CG . LEU E 3 150 . 19.932 52.906 -10.985 1.00 21.26 ? CG LEU A 150 1 -ATOM 2397 C CD1 . LEU E 3 150 . 19.700 53.854 -12.196 1.00 9.1 ? CD1 LEU A 150 1 -ATOM 2398 C CD2 . LEU E 3 150 . 20.161 53.729 -9.728 1.00 22.84 ? CD2 LEU A 150 1 -ATOM 2399 N N . ALA E 3 151 . 17.713 48.954 -10.969 1.00 23.61 ? N ALA A 151 1 -ATOM 2400 C CA . ALA E 3 151 . 16.698 48.047 -11.455 1.00 28.38 ? CA ALA A 151 1 -ATOM 2401 C C . ALA E 3 151 . 15.988 47.598 -10.199 1.00 26.24 ? C ALA A 151 1 -ATOM 2402 O O . ALA E 3 151 . 14.784 47.459 -10.219 1.00 31.44 ? O ALA A 151 1 -ATOM 2403 C CB . ALA E 3 151 . 17.352 46.835 -12.232 1.00 14.51 ? CB ALA A 151 1 -ATOM 2404 N N . LYS E 3 152 . 16.765 47.445 -9.116 1.00 30.18 ? N LYS A 152 1 -ATOM 2405 C CA . LYS E 3 152 . 16.331 47.036 -7.767 1.00 30.07 ? CA LYS A 152 1 -ATOM 2406 C C . LYS E 3 152 . 15.688 48.124 -6.893 1.00 30.25 ? C LYS A 152 1 -ATOM 2407 O O . LYS E 3 152 . 15.044 47.825 -5.885 1.00 27.85 ? O LYS A 152 1 -ATOM 2408 C CB . LYS E 3 152 . 17.525 46.454 -6.989 1.00 24.86 ? CB LYS A 152 1 -ATOM 2409 C CG . LYS E 3 152 . 17.171 46.071 -5.542 1.00 44.06 ? CG LYS A 152 1 -ATOM 2410 C CD . LYS E 3 152 . 17.858 44.767 -5.062 1.00 51.19 ? CD LYS A 152 1 -ATOM 2411 C CE . LYS E 3 152 . 17.170 44.156 -3.808 1.00 43.95 ? CE LYS A 152 1 -ATOM 2412 N NZ . LYS E 3 152 . 17.643 42.742 -3.588 1.00 33.99 ? NZ LYS A 152 1 -ATOM 2413 N N . GLN E 3 153 . 15.851 49.388 -7.228 1.00 31.71 ? N GLN A 153 1 -ATOM 2414 C CA . GLN E 3 153 . 15.254 50.417 -6.382 1.00 32.74 ? CA GLN A 153 1 -ATOM 2415 C C . GLN E 3 153 . 13.736 50.301 -6.292 1.00 33.6 ? C GLN A 153 1 -ATOM 2416 O O . GLN E 3 153 . 13.156 49.477 -6.977 1.00 30.37 ? O GLN A 153 1 -ATOM 2417 C CB . GLN E 3 153 . 15.621 51.804 -6.912 1.00 35.66 ? CB GLN A 153 1 -ATOM 2418 C CG . GLN E 3 153 . 16.853 52.369 -6.243 1.00 31.76 ? CG GLN A 153 1 -ATOM 2419 C CD . GLN E 3 153 . 16.565 53.664 -5.498 1.00 24.89 ? CD GLN A 153 1 -ATOM 2420 O OE1 . GLN E 3 153 . 15.467 54.219 -5.549 1.00 26.83 ? OE1 GLN A 153 1 -ATOM 2421 N NE2 . GLN E 3 153 . 17.564 54.154 -4.810 1.00 28.09 ? NE2 GLN A 153 1 -ATOM 2422 N N . PRO E 3 154 . 13.095 51.092 -5.396 1.00 33.92 ? N PRO A 154 1 -ATOM 2423 C CA . PRO E 3 154 . 11.671 51.387 -5.229 1.00 29.65 ? CA PRO A 154 1 -ATOM 2424 C C . PRO E 3 154 . 11.008 52.117 -6.387 1.00 29.84 ? C PRO A 154 1 -ATOM 2425 O O . PRO E 3 154 . 9.803 52.012 -6.542 1.00 33.82 ? O PRO A 154 1 -ATOM 2426 C CB . PRO E 3 154 . 11.627 52.170 -3.918 1.00 29.58 ? CB PRO A 154 1 -ATOM 2427 C CG . PRO E 3 154 . 12.696 51.506 -3.145 1.00 30.55 ? CG PRO A 154 1 -ATOM 2428 C CD . PRO E 3 154 . 13.790 51.602 -4.181 1.00 32.15 ? CD PRO A 154 1 -ATOM 2429 N N . ASP E 3 155 . 11.743 52.894 -7.172 1.00 36.54 ? N ASP A 155 1 -ATOM 2430 C CA . ASP E 3 155 . 11.108 53.607 -8.278 1.00 39.41 ? CA ASP A 155 1 -ATOM 2431 C C . ASP E 3 155 . 11.312 52.905 -9.594 1.00 44.65 ? C ASP A 155 1 -ATOM 2432 O O . ASP E 3 155 . 11.794 53.532 -10.532 1.00 55 ? O ASP A 155 1 -ATOM 2433 C CB . ASP E 3 155 . 11.651 55.057 -8.394 1.00 35.23 ? CB ASP A 155 1 -ATOM 2434 C CG . ASP E 3 155 . 13.199 55.157 -8.440 1.00 45.04 ? CG ASP A 155 1 -ATOM 2435 O OD1 . ASP E 3 155 . 13.799 55.325 -9.534 1.00 49.19 ? OD1 ASP A 155 1 -ATOM 2436 O OD2 . ASP E 3 155 . 13.836 55.108 -7.363 1.00 54.84 ? OD2 ASP A 155 1 -ATOM 2437 N N . ALA E 3 156 . 10.932 51.633 -9.698 1.00 41.2 ? N ALA A 156 1 -ATOM 2438 C CA . ALA E 3 156 . 11.144 50.906 -10.952 1.00 33.19 ? CA ALA A 156 1 -ATOM 2439 C C . ALA E 3 156 . 9.897 50.144 -11.417 1.00 36.82 ? C ALA A 156 1 -ATOM 2440 O O . ALA E 3 156 . 9.431 49.203 -10.750 1.00 32.92 ? O ALA A 156 1 -ATOM 2441 C CB . ALA E 3 156 . 12.297 49.952 -10.765 1.00 33.34 ? CB ALA A 156 1 -ATOM 2442 N N . MET E 3 157 . 9.358 50.572 -12.569 1.00 41.66 ? N MET A 157 1 -ATOM 2443 C CA . MET E 3 157 . 8.133 50.009 -13.170 1.00 40.32 ? CA MET A 157 1 -ATOM 2444 C C . MET E 3 157 . 8.401 48.578 -13.624 1.00 39.27 ? C MET A 157 1 -ATOM 2445 O O . MET E 3 157 . 9.527 48.197 -13.989 1.00 32.56 ? O MET A 157 1 -ATOM 2446 C CB . MET E 3 157 . 7.686 50.841 -14.392 1.00 42.76 ? CB MET A 157 1 -ATOM 2447 C CG . MET E 3 157 . 7.654 52.369 -14.203 1.00 49.14 ? CG MET A 157 1 -ATOM 2448 S SD . MET E 3 157 . 9.253 53.227 -13.703 1.00 55 ? SD MET A 157 1 -ATOM 2449 C CE . MET E 3 157 . 10.081 53.570 -15.281 1.00 48.56 ? CE MET A 157 1 -ATOM 2450 N N . THR E 3 158 . 7.368 47.763 -13.602 1.00 39.62 ? N THR A 158 1 -ATOM 2451 C CA . THR E 3 158 . 7.580 46.393 -14.006 1.00 39.36 ? CA THR A 158 1 -ATOM 2452 C C . THR E 3 158 . 7.528 46.378 -15.523 1.00 40.49 ? C THR A 158 1 -ATOM 2453 O O . THR E 3 158 . 6.862 47.235 -16.122 1.00 36.16 ? O THR A 158 1 -ATOM 2454 C CB . THR E 3 158 . 6.476 45.490 -13.373 1.00 44.49 ? CB THR A 158 1 -ATOM 2455 O OG1 . THR E 3 158 . 6.953 44.144 -13.317 1.00 51.36 ? OG1 THR A 158 1 -ATOM 2456 C CG2 . THR E 3 158 . 5.173 45.534 -14.194 1.00 41.81 ? CG2 THR A 158 1 -ATOM 2457 N N . HIS E 3 159 . 8.253 45.437 -16.127 1.00 42.96 ? N HIS A 159 1 -ATOM 2458 C CA . HIS E 3 159 . 8.304 45.249 -17.589 1.00 48.59 ? CA HIS A 159 1 -ATOM 2459 C C . HIS E 3 159 . 8.278 43.738 -17.818 1.00 49.13 ? C HIS A 159 1 -ATOM 2460 O O . HIS E 3 159 . 8.929 43.018 -17.059 1.00 50.14 ? O HIS A 159 1 -ATOM 2461 C CB . HIS E 3 159 . 9.610 45.841 -18.175 1.00 46.54 ? CB HIS A 159 1 -ATOM 2462 C CG . HIS E 3 159 . 9.583 46.039 -19.665 1.00 46.42 ? CG HIS A 159 1 -ATOM 2463 N ND1 . HIS E 3 159 . 9.799 45.015 -20.563 1.00 46.94 ? ND1 HIS A 159 1 -ATOM 2464 C CD2 . HIS E 3 159 . 9.355 47.150 -20.409 1.00 48.3 ? CD2 HIS A 159 1 -ATOM 2465 C CE1 . HIS E 3 159 . 9.704 45.486 -21.797 1.00 46.22 ? CE1 HIS A 159 1 -ATOM 2466 N NE2 . HIS E 3 159 . 9.436 46.778 -21.731 1.00 43.6 ? NE2 HIS A 159 1 -ATOM 2467 N N . PRO E 3 160 . 7.556 43.235 -18.860 1.00 53.19 ? N PRO A 160 1 -ATOM 2468 C CA . PRO E 3 160 . 7.371 41.790 -19.096 1.00 50.53 ? CA PRO A 160 1 -ATOM 2469 C C . PRO E 3 160 . 8.668 41.047 -18.814 1.00 51.69 ? C PRO A 160 1 -ATOM 2470 O O . PRO E 3 160 . 8.765 40.152 -17.962 1.00 51.73 ? O PRO A 160 1 -ATOM 2471 C CB . PRO E 3 160 . 6.896 41.746 -20.546 1.00 44.13 ? CB PRO A 160 1 -ATOM 2472 C CG . PRO E 3 160 . 7.443 43.047 -21.118 1.00 48.96 ? CG PRO A 160 1 -ATOM 2473 C CD . PRO E 3 160 . 6.998 43.964 -20.022 1.00 53.47 ? CD PRO A 160 1 -ATOM 2474 N N . ASP E 3 161 . 9.671 41.470 -19.554 1.00 48.49 ? N ASP A 161 1 -ATOM 2475 C CA . ASP E 3 161 . 11.005 40.991 -19.361 1.00 45.43 ? CA ASP A 161 1 -ATOM 2476 C C . ASP E 3 161 . 11.787 42.201 -18.837 1.00 42.13 ? C ASP A 161 1 -ATOM 2477 O O . ASP E 3 161 . 11.593 43.309 -19.356 1.00 48.74 ? O ASP A 161 1 -ATOM 2478 C CB . ASP E 3 161 . 11.536 40.472 -20.705 1.00 48.5 ? CB ASP A 161 1 -ATOM 2479 C CG . ASP E 3 161 . 11.129 41.336 -21.885 1.00 48.94 ? CG ASP A 161 1 -ATOM 2480 O OD1 . ASP E 3 161 . 12.014 41.980 -22.472 1.00 42.36 ? OD1 ASP A 161 1 -ATOM 2481 O OD2 . ASP E 3 161 . 9.929 41.360 -22.224 1.00 41.52 ? OD2 ASP A 161 1 -ATOM 2482 N N . GLY E 3 162 . 12.581 41.987 -17.778 1.00 32.44 ? N GLY A 162 1 -ATOM 2483 C CA . GLY E 3 162 . 13.418 43.000 -17.144 1.00 21.4 ? CA GLY A 162 1 -ATOM 2484 C C . GLY E 3 162 . 12.679 44.103 -16.395 1.00 25.06 ? C GLY A 162 1 -ATOM 2485 O O . GLY E 3 162 . 11.441 44.187 -16.350 1.00 15.57 ? O GLY A 162 1 -ATOM 2486 N N . MET E 3 163 . 13.472 44.972 -15.776 1.00 31.59 ? N MET A 163 1 -ATOM 2487 C CA . MET E 3 163 . 12.937 46.121 -15.049 1.00 34.03 ? CA MET A 163 1 -ATOM 2488 C C . MET E 3 163 . 13.191 47.389 -15.817 1.00 35.97 ? C MET A 163 1 -ATOM 2489 O O . MET E 3 163 . 14.298 47.638 -16.326 1.00 40.8 ? O MET A 163 1 -ATOM 2490 C CB . MET E 3 163 . 13.581 46.312 -13.682 1.00 36.34 ? CB MET A 163 1 -ATOM 2491 C CG . MET E 3 163 . 12.606 46.170 -12.539 1.00 42.75 ? CG MET A 163 1 -ATOM 2492 S SD . MET E 3 163 . 11.898 44.511 -12.485 1.00 44.85 ? SD MET A 163 1 -ATOM 2493 C CE . MET E 3 163 . 10.341 44.723 -13.380 1.00 44.59 ? CE MET A 163 1 -ATOM 2494 N N . GLN E 3 164 . 12.135 48.191 -15.877 1.00 32.34 ? N GLN A 164 1 -ATOM 2495 C CA . GLN E 3 164 . 12.163 49.466 -16.548 1.00 30 ? CA GLN A 164 1 -ATOM 2496 C C . GLN E 3 164 . 12.568 50.514 -15.541 1.00 30.25 ? C GLN A 164 1 -ATOM 2497 O O . GLN E 3 164 . 11.862 50.836 -14.598 1.00 27.76 ? O GLN A 164 1 -ATOM 2498 C CB . GLN E 3 164 . 10.777 49.784 -17.144 1.00 26.97 ? CB GLN A 164 1 -ATOM 2499 C CG . GLN E 3 164 . 10.654 51.089 -17.914 1.00 24.46 ? CG GLN A 164 1 -ATOM 2500 C CD . GLN E 3 164 . 9.316 51.223 -18.661 1.00 26.88 ? CD GLN A 164 1 -ATOM 2501 O OE1 . GLN E 3 164 . 9.285 51.679 -19.789 1.00 36.11 ? OE1 GLN A 164 1 -ATOM 2502 N NE2 . GLN E 3 164 . 8.218 50.827 -18.035 1.00 26.58 ? NE2 GLN A 164 1 -ATOM 2503 N N . ILE E 3 165 . 13.817 50.891 -15.707 1.00 33.93 ? N ILE A 165 1 -ATOM 2504 C CA . ILE E 3 165 . 14.460 51.984 -15.027 1.00 30.01 ? CA ILE A 165 1 -ATOM 2505 C C . ILE E 3 165 . 14.209 53.253 -15.814 1.00 26.17 ? C ILE A 165 1 -ATOM 2506 O O . ILE E 3 165 . 14.069 53.159 -17.027 1.00 30.02 ? O ILE A 165 1 -ATOM 2507 C CB . ILE E 3 165 . 16.008 51.637 -14.897 1.00 16.21 ? CB ILE A 165 1 -ATOM 2508 C CG1 . ILE E 3 165 . 16.215 50.655 -13.739 1.00 17.72 ? CG1 ILE A 165 1 -ATOM 2509 C CG2 . ILE E 3 165 . 16.807 52.840 -14.690 1.00 25.39 ? CG2 ILE A 165 1 -ATOM 2510 C CD1 . ILE E 3 165 . 14.924 50.331 -12.907 1.00 23.56 ? CD1 ILE A 165 1 -ATOM 2511 N N . LYS E 3 166 . 14.064 54.407 -15.200 1.00 25.27 ? N LYS A 166 1 -ATOM 2512 C CA . LYS E 3 166 . 13.856 55.574 -16.030 1.00 25.89 ? CA LYS A 166 1 -ATOM 2513 C C . LYS E 3 166 . 14.990 56.446 -15.713 1.00 25.73 ? C LYS A 166 1 -ATOM 2514 O O . LYS E 3 166 . 15.130 56.806 -14.551 1.00 26.84 ? O LYS A 166 1 -ATOM 2515 C CB . LYS E 3 166 . 12.573 56.348 -15.697 1.00 34.33 ? CB LYS A 166 1 -ATOM 2516 C CG . LYS E 3 166 . 12.441 57.678 -16.513 1.00 43.24 ? CG LYS A 166 1 -ATOM 2517 C CD . LYS E 3 166 . 11.118 58.451 -16.277 1.00 52.65 ? CD LYS A 166 1 -ATOM 2518 C CE . LYS E 3 166 . 10.915 59.594 -17.296 1.00 55 ? CE LYS A 166 1 -ATOM 2519 N NZ . LYS E 3 166 . 9.512 60.135 -17.322 1.00 51.57 ? NZ LYS A 166 1 -ATOM 2520 N N . ILE E 3 167 . 15.814 56.785 -16.694 1.00 20.18 ? N ILE A 167 1 -ATOM 2521 C CA . ILE E 3 167 . 16.939 57.579 -16.312 1.00 18.34 ? CA ILE A 167 1 -ATOM 2522 C C . ILE E 3 167 . 17.691 58.175 -17.487 1.00 20.7 ? C ILE A 167 1 -ATOM 2523 O O . ILE E 3 167 . 17.674 57.689 -18.616 1.00 17.89 ? O ILE A 167 1 -ATOM 2524 C CB . ILE E 3 167 . 17.896 56.712 -15.454 1.00 14.35 ? CB ILE A 167 1 -ATOM 2525 C CG1 . ILE E 3 167 . 18.695 57.618 -14.517 1.00 16.17 ? CG1 ILE A 167 1 -ATOM 2526 C CG2 . ILE E 3 167 . 18.846 55.904 -16.370 1.00 22.46 ? CG2 ILE A 167 1 -ATOM 2527 C CD1 . ILE E 3 167 . 19.575 56.889 -13.562 1.00 13.78 ? CD1 ILE A 167 1 -ATOM 2528 N N . THR E 3 168 . 18.331 59.265 -17.107 1.00 18.13 ? N THR A 168 1 -ATOM 2529 C CA . THR E 3 168 . 19.185 60.155 -17.833 1.00 13.26 ? CA THR A 168 1 -ATOM 2530 C C . THR E 3 168 . 20.614 59.707 -17.835 1.00 14.87 ? C THR A 168 1 -ATOM 2531 O O . THR E 3 168 . 21.246 59.703 -16.796 1.00 23.81 ? O THR A 168 1 -ATOM 2532 C CB . THR E 3 168 . 19.086 61.540 -17.203 1.00 23.16 ? CB THR A 168 1 -ATOM 2533 O OG1 . THR E 3 168 . 17.949 62.214 -17.762 1.00 38.01 ? OG1 THR A 168 1 -ATOM 2534 C CG2 . THR E 3 168 . 20.348 62.314 -17.392 1.00 20.68 ? CG2 THR A 168 1 -ATOM 2535 N N . ARG E 3 169 . 21.141 59.389 -19.008 1.00 21.98 ? N ARG A 169 1 -ATOM 2536 C CA . ARG E 3 169 . 22.540 59.005 -19.140 1.00 18.04 ? CA ARG A 169 1 -ATOM 2537 C C . ARG E 3 169 . 23.434 60.011 -18.443 1.00 16.36 ? C ARG A 169 1 -ATOM 2538 O O . ARG E 3 169 . 24.587 59.706 -18.117 1.00 14.61 ? O ARG A 169 1 -ATOM 2539 C CB . ARG E 3 169 . 23.004 58.962 -20.595 1.00 8.74 ? CB ARG A 169 1 -ATOM 2540 C CG . ARG E 3 169 . 22.433 57.919 -21.479 1.00 6 ? CG ARG A 169 1 -ATOM 2541 C CD . ARG E 3 169 . 22.715 58.307 -22.951 1.00 6 ? CD ARG A 169 1 -ATOM 2542 N NE . ARG E 3 169 . 21.892 57.468 -23.816 1.00 7.77 ? NE ARG A 169 1 -ATOM 2543 C CZ . ARG E 3 169 . 20.588 57.338 -23.642 1.00 6 ? CZ ARG A 169 1 -ATOM 2544 N NH1 . ARG E 3 169 . 20.031 58.007 -22.661 1.00 6 ? NH1 ARG A 169 1 -ATOM 2545 N NH2 . ARG E 3 169 . 19.859 56.504 -24.385 1.00 6 ? NH2 ARG A 169 1 -ATOM 2546 N N . GLN E 3 170 . 22.950 61.232 -18.271 1.00 18.66 ? N GLN A 170 1 -ATOM 2547 C CA . GLN E 3 170 . 23.787 62.216 -17.617 1.00 19.32 ? CA GLN A 170 1 -ATOM 2548 C C . GLN E 3 170 . 23.887 61.825 -16.170 1.00 16.04 ? C GLN A 170 1 -ATOM 2549 O O . GLN E 3 170 . 24.968 61.869 -15.605 1.00 7.96 ? O GLN A 170 1 -ATOM 2550 C CB . GLN E 3 170 . 23.174 63.605 -17.785 1.00 17.52 ? CB GLN A 170 1 -ATOM 2551 C CG . GLN E 3 170 . 24.185 64.624 -18.259 1.00 26.55 ? CG GLN A 170 1 -ATOM 2552 C CD . GLN E 3 170 . 23.535 65.750 -19.049 1.00 26.12 ? CD GLN A 170 1 -ATOM 2553 O OE1 . GLN E 3 170 . 24.015 66.129 -20.120 1.00 36.57 ? OE1 GLN A 170 1 -ATOM 2554 N NE2 . GLN E 3 170 . 22.432 66.280 -18.539 1.00 26.93 ? NE2 GLN A 170 1 -ATOM 2555 N N . GLU E 3 171 . 22.761 61.372 -15.622 1.00 7.44 ? N GLU A 171 1 -ATOM 2556 C CA . GLU E 3 171 . 22.693 60.893 -14.221 1.00 18.12 ? CA GLU A 171 1 -ATOM 2557 C C . GLU E 3 171 . 23.642 59.718 -13.941 1.00 12.67 ? C GLU A 171 1 -ATOM 2558 O O . GLU E 3 171 . 24.474 59.795 -13.012 1.00 13.4 ? O GLU A 171 1 -ATOM 2559 C CB . GLU E 3 171 . 21.271 60.455 -13.865 1.00 20.27 ? CB GLU A 171 1 -ATOM 2560 C CG . GLU E 3 171 . 20.401 61.583 -13.325 1.00 23.57 ? CG GLU A 171 1 -ATOM 2561 C CD . GLU E 3 171 . 19.830 61.251 -11.946 1.00 26.74 ? CD GLU A 171 1 -ATOM 2562 O OE1 . GLU E 3 171 . 20.507 61.484 -10.910 1.00 13.87 ? OE1 GLU A 171 1 -ATOM 2563 O OE2 . GLU E 3 171 . 18.688 60.746 -11.920 1.00 18.2 ? OE2 GLU A 171 1 -ATOM 2564 N N . ILE E 3 172 . 23.545 58.663 -14.761 1.00 12.53 ? N ILE A 172 1 -ATOM 2565 C CA . ILE E 3 172 . 24.439 57.511 -14.631 1.00 8.09 ? CA ILE A 172 1 -ATOM 2566 C C . ILE E 3 172 . 25.876 58.025 -14.643 1.00 6.83 ? C ILE A 172 1 -ATOM 2567 O O . ILE E 3 172 . 26.688 57.567 -13.846 1.00 12.67 ? O ILE A 172 1 -ATOM 2568 C CB . ILE E 3 172 . 24.195 56.509 -15.807 1.00 10.79 ? CB ILE A 172 1 -ATOM 2569 C CG1 . ILE E 3 172 . 22.734 56.026 -15.754 1.00 7.15 ? CG1 ILE A 172 1 -ATOM 2570 C CG2 . ILE E 3 172 . 25.138 55.344 -15.714 1.00 9.56 ? CG2 ILE A 172 1 -ATOM 2571 C CD1 . ILE E 3 172 . 22.290 55.160 -16.904 1.00 13.88 ? CD1 ILE A 172 1 -ATOM 2572 N N . GLY E 3 173 . 26.196 58.987 -15.510 1.00 6 ? N GLY A 173 1 -ATOM 2573 C CA . GLY E 3 173 . 27.541 59.524 -15.515 1.00 10.97 ? CA GLY A 173 1 -ATOM 2574 C C . GLY E 3 173 . 27.888 60.109 -14.136 1.00 19.7 ? C GLY A 173 1 -ATOM 2575 O O . GLY E 3 173 . 29.047 60.044 -13.711 1.00 32.24 ? O GLY A 173 1 -ATOM 2576 N N . GLN E 3 174 . 26.907 60.666 -13.418 1.00 22.34 ? N GLN A 174 1 -ATOM 2577 C CA . GLN E 3 174 . 27.147 61.287 -12.097 1.00 21.92 ? CA GLN A 174 1 -ATOM 2578 C C . GLN E 3 174 . 27.317 60.271 -10.966 1.00 15.93 ? C GLN A 174 1 -ATOM 2579 O O . GLN E 3 174 . 28.267 60.352 -10.178 1.00 14.99 ? O GLN A 174 1 -ATOM 2580 C CB . GLN E 3 174 . 25.989 62.236 -11.786 1.00 24.14 ? CB GLN A 174 1 -ATOM 2581 C CG . GLN E 3 174 . 26.065 63.553 -12.562 1.00 13.84 ? CG GLN A 174 1 -ATOM 2582 C CD . GLN E 3 174 . 24.789 64.325 -12.500 1.00 15.12 ? CD GLN A 174 1 -ATOM 2583 O OE1 . GLN E 3 174 . 24.589 65.205 -13.309 1.00 15.5 ? OE1 GLN A 174 1 -ATOM 2584 N NE2 . GLN E 3 174 . 23.899 63.993 -11.546 1.00 15 ? NE2 GLN A 174 1 -ATOM 2585 N N . ILE E 3 175 . 26.350 59.371 -10.883 1.00 6 ? N ILE A 175 1 -ATOM 2586 C CA . ILE E 3 175 . 26.363 58.226 -10.007 1.00 7.48 ? CA ILE A 175 1 -ATOM 2587 C C . ILE E 3 175 . 27.693 57.493 -10.048 1.00 9.42 ? C ILE A 175 1 -ATOM 2588 O O . ILE E 3 175 . 28.284 57.182 -9.018 1.00 12.89 ? O ILE A 175 1 -ATOM 2589 C CB . ILE E 3 175 . 25.309 57.227 -10.428 1.00 6 ? CB ILE A 175 1 -ATOM 2590 C CG1 . ILE E 3 175 . 23.966 57.855 -10.167 1.00 6 ? CG1 ILE A 175 1 -ATOM 2591 C CG2 . ILE E 3 175 . 25.572 55.894 -9.797 1.00 6 ? CG2 ILE A 175 1 -ATOM 2592 C CD1 . ILE E 3 175 . 22.901 56.851 -10.203 1.00 6 ? CD1 ILE A 175 1 -ATOM 2593 N N . VAL E 3 176 . 28.158 57.244 -11.274 1.00 12.72 ? N VAL A 176 1 -ATOM 2594 C CA . VAL E 3 176 . 29.333 56.405 -11.608 1.00 6 ? CA VAL A 176 1 -ATOM 2595 C C . VAL E 3 176 . 30.667 57.046 -11.707 1.00 7.4 ? C VAL A 176 1 -ATOM 2596 O O . VAL E 3 176 . 31.679 56.356 -11.648 1.00 6.81 ? O VAL A 176 1 -ATOM 2597 C CB . VAL E 3 176 . 29.042 55.674 -12.925 1.00 10.22 ? CB VAL A 176 1 -ATOM 2598 C CG1 . VAL E 3 176 . 30.227 55.831 -13.922 1.00 6.14 ? CG1 VAL A 176 1 -ATOM 2599 C CG2 . VAL E 3 176 . 28.682 54.230 -12.573 1.00 6 ? CG2 VAL A 176 1 -ATOM 2600 N N . GLY E 3 177 . 30.711 58.337 -11.921 1.00 8.35 ? N GLY A 177 1 -ATOM 2601 C CA . GLY E 3 177 . 32.028 58.929 -12.011 1.00 11.15 ? CA GLY A 177 1 -ATOM 2602 C C . GLY E 3 177 . 32.599 58.900 -13.408 1.00 6.33 ? C GLY A 177 1 -ATOM 2603 O O . GLY E 3 177 . 33.790 58.760 -13.603 1.00 7.01 ? O GLY A 177 1 -ATOM 2604 N N . CYS E 3 178 . 31.772 59.020 -14.412 1.00 8.26 ? N CYS A 178 1 -ATOM 2605 C CA . CYS E 3 178 . 32.358 59.093 -15.751 1.00 15.38 ? CA CYS A 178 1 -ATOM 2606 C C . CYS E 3 178 . 31.576 60.203 -16.464 1.00 12.9 ? C CYS A 178 1 -ATOM 2607 O O . CYS E 3 178 . 30.608 60.673 -15.900 1.00 6 ? O CYS A 178 1 -ATOM 2608 C CB . CYS E 3 178 . 32.236 57.715 -16.523 1.00 6 ? CB CYS A 178 1 -ATOM 2609 S SG . CYS E 3 178 . 30.650 56.957 -16.996 1.00 19.1 ? SG CYS A 178 1 -ATOM 2610 N N . SER E 3 179 . 32.003 60.628 -17.648 1.00 8 ? N SER A 179 1 -ATOM 2611 C CA . SER E 3 179 . 31.352 61.671 -18.396 1.00 6 ? CA SER A 179 1 -ATOM 2612 C C . SER E 3 179 . 30.185 61.112 -19.151 1.00 6.6 ? C SER A 179 1 -ATOM 2613 O O . SER E 3 179 . 30.175 59.918 -19.426 1.00 17.73 ? O SER A 179 1 -ATOM 2614 C CB . SER E 3 179 . 32.303 62.264 -19.390 1.00 18.18 ? CB SER A 179 1 -ATOM 2615 O OG . SER E 3 179 . 32.516 61.277 -20.386 1.00 23.24 ? OG SER A 179 1 -ATOM 2616 N N . ARG E 3 180 . 29.269 61.998 -19.557 1.00 13.27 ? N ARG A 180 1 -ATOM 2617 C CA . ARG E 3 180 . 28.047 61.669 -20.303 1.00 15.09 ? CA ARG A 180 1 -ATOM 2618 C C . ARG E 3 180 . 28.262 60.753 -21.518 1.00 19.25 ? C ARG A 180 1 -ATOM 2619 O O . ARG E 3 180 . 27.488 59.826 -21.723 1.00 16.65 ? O ARG A 180 1 -ATOM 2620 C CB . ARG E 3 180 . 27.356 62.934 -20.844 1.00 19.5 ? CB ARG A 180 1 -ATOM 2621 C CG . ARG E 3 180 . 25.945 62.634 -21.470 1.00 32.19 ? CG ARG A 180 1 -ATOM 2622 C CD . ARG E 3 180 . 25.124 63.771 -22.233 1.00 14.42 ? CD ARG A 180 1 -ATOM 2623 N NE . ARG E 3 180 . 25.696 64.147 -23.519 1.00 15.89 ? NE ARG A 180 1 -ATOM 2624 C CZ . ARG E 3 180 . 26.712 64.998 -23.669 1.00 21.82 ? CZ ARG A 180 1 -ATOM 2625 N NH1 . ARG E 3 180 . 27.274 65.576 -22.605 1.00 21.19 ? NH1 ARG A 180 1 -ATOM 2626 N NH2 . ARG E 3 180 . 27.198 65.242 -24.891 1.00 11.64 ? NH2 ARG A 180 1 -ATOM 2627 N N . GLU E 3 181 . 29.302 61.006 -22.316 1.00 12.92 ? N GLU A 181 1 -ATOM 2628 C CA . GLU E 3 181 . 29.468 60.245 -23.554 1.00 19.53 ? CA GLU A 181 1 -ATOM 2629 C C . GLU E 3 181 . 29.836 58.822 -23.324 1.00 20.2 ? C GLU A 181 1 -ATOM 2630 O O . GLU E 3 181 . 29.337 57.940 -24.058 1.00 15.29 ? O GLU A 181 1 -ATOM 2631 C CB . GLU E 3 181 . 30.547 60.829 -24.466 1.00 7.71 ? CB GLU A 181 1 -ATOM 2632 C CG . GLU E 3 181 . 30.299 62.225 -24.954 1.00 19.11 ? CG GLU A 181 1 -ATOM 2633 C CD . GLU E 3 181 . 30.716 63.312 -23.973 1.00 19.51 ? CD GLU A 181 1 -ATOM 2634 O OE1 . GLU E 3 181 . 31.178 63.065 -22.842 1.00 18.05 ? OE1 GLU A 181 1 -ATOM 2635 O OE2 . GLU E 3 181 . 30.564 64.468 -24.373 1.00 15.9 ? OE2 GLU A 181 1 -ATOM 2636 N N . THR E 3 182 . 30.745 58.608 -22.368 1.00 16.75 ? N THR A 182 1 -ATOM 2637 C CA . THR E 3 182 . 31.155 57.277 -22.011 1.00 11.14 ? CA THR A 182 1 -ATOM 2638 C C . THR E 3 182 . 29.892 56.470 -21.708 1.00 6.71 ? C THR A 182 1 -ATOM 2639 O O . THR E 3 182 . 29.692 55.371 -22.213 1.00 17.8 ? O THR A 182 1 -ATOM 2640 C CB . THR E 3 182 . 32.061 57.319 -20.783 1.00 20.51 ? CB THR A 182 1 -ATOM 2641 O OG1 . THR E 3 182 . 33.305 57.900 -21.163 1.00 16.04 ? OG1 THR A 182 1 -ATOM 2642 C CG2 . THR E 3 182 . 32.362 55.907 -20.251 1.00 20.78 ? CG2 THR A 182 1 -ATOM 2643 N N . VAL E 3 183 . 28.990 56.996 -20.908 1.00 8.47 ? N VAL A 183 1 -ATOM 2644 C CA . VAL E 3 183 . 27.783 56.212 -20.644 1.00 8.53 ? CA VAL A 183 1 -ATOM 2645 C C . VAL E 3 183 . 27.047 55.836 -21.945 1.00 12.75 ? C VAL A 183 1 -ATOM 2646 O O . VAL E 3 183 . 26.710 54.681 -22.146 1.00 24.82 ? O VAL A 183 1 -ATOM 2647 C CB . VAL E 3 183 . 26.863 57.027 -19.717 1.00 16.54 ? CB VAL A 183 1 -ATOM 2648 C CG1 . VAL E 3 183 . 25.521 56.350 -19.529 1.00 9.01 ? CG1 VAL A 183 1 -ATOM 2649 C CG2 . VAL E 3 183 . 27.594 57.204 -18.384 1.00 12.77 ? CG2 VAL A 183 1 -ATOM 2650 N N . GLY E 3 184 . 26.854 56.800 -22.840 1.00 10.94 ? N GLY A 184 1 -ATOM 2651 C CA . GLY E 3 184 . 26.093 56.595 -24.060 1.00 12.64 ? CA GLY A 184 1 -ATOM 2652 C C . GLY E 3 184 . 26.602 55.435 -24.863 1.00 15.65 ? C GLY A 184 1 -ATOM 2653 O O . GLY E 3 184 . 25.821 54.604 -25.353 1.00 21.22 ? O GLY A 184 1 -ATOM 2654 N N . ARG E 3 185 . 27.924 55.399 -24.981 1.00 18.79 ? N ARG A 185 1 -ATOM 2655 C CA . ARG E 3 185 . 28.606 54.355 -25.706 1.00 20.58 ? CA ARG A 185 1 -ATOM 2656 C C . ARG E 3 185 . 28.425 53.024 -25.095 1.00 20.32 ? C ARG A 185 1 -ATOM 2657 O O . ARG E 3 185 . 28.023 52.119 -25.791 1.00 24.49 ? O ARG A 185 1 -ATOM 2658 C CB . ARG E 3 185 . 30.093 54.642 -25.786 1.00 26.61 ? CB ARG A 185 1 -ATOM 2659 C CG . ARG E 3 185 . 30.390 55.638 -26.883 1.00 30.04 ? CG ARG A 185 1 -ATOM 2660 C CD . ARG E 3 185 . 31.542 56.448 -26.507 1.00 31.45 ? CD ARG A 185 1 -ATOM 2661 N NE . ARG E 3 185 . 31.848 57.444 -27.510 1.00 36.34 ? NE ARG A 185 1 -ATOM 2662 C CZ . ARG E 3 185 . 32.635 58.474 -27.234 1.00 36.77 ? CZ ARG A 185 1 -ATOM 2663 N NH1 . ARG E 3 185 . 32.902 59.354 -28.179 1.00 38.7 ? NH1 ARG A 185 1 -ATOM 2664 N NH2 . ARG E 3 185 . 33.123 58.633 -25.998 1.00 33.17 ? NH2 ARG A 185 1 -ATOM 2665 N N . ILE E 3 186 . 28.725 52.916 -23.800 1.00 15.33 ? N ILE A 186 1 -ATOM 2666 C CA . ILE E 3 186 . 28.659 51.645 -23.090 1.00 10.88 ? CA ILE A 186 1 -ATOM 2667 C C . ILE E 3 186 . 27.267 51.119 -23.198 1.00 7.58 ? C ILE A 186 1 -ATOM 2668 O O . ILE E 3 186 . 27.046 49.959 -23.476 1.00 11.08 ? O ILE A 186 1 -ATOM 2669 C CB . ILE E 3 186 . 28.965 51.761 -21.573 1.00 16.96 ? CB ILE A 186 1 -ATOM 2670 C CG1 . ILE E 3 186 . 30.354 52.376 -21.298 1.00 14.97 ? CG1 ILE A 186 1 -ATOM 2671 C CG2 . ILE E 3 186 . 28.878 50.371 -20.991 1.00 14.06 ? CG2 ILE A 186 1 -ATOM 2672 C CD1 . ILE E 3 186 . 31.581 51.511 -21.684 1.00 25.24 ? CD1 ILE A 186 1 -ATOM 2673 N N . LEU E 3 187 . 26.318 52.007 -22.979 1.00 8.42 ? N LEU A 187 1 -ATOM 2674 C CA . LEU E 3 187 . 24.919 51.654 -23.011 1.00 11.91 ? CA LEU A 187 1 -ATOM 2675 C C . LEU E 3 187 . 24.584 51.006 -24.336 1.00 16.01 ? C LEU A 187 1 -ATOM 2676 O O . LEU E 3 187 . 23.778 50.071 -24.383 1.00 19.51 ? O LEU A 187 1 -ATOM 2677 C CB . LEU E 3 187 . 24.068 52.916 -22.807 1.00 15.79 ? CB LEU A 187 1 -ATOM 2678 C CG . LEU E 3 187 . 23.109 53.002 -21.630 1.00 13.01 ? CG LEU A 187 1 -ATOM 2679 C CD1 . LEU E 3 187 . 23.912 53.154 -20.395 1.00 11.11 ? CD1 LEU A 187 1 -ATOM 2680 C CD2 . LEU E 3 187 . 22.138 54.159 -21.812 1.00 7.64 ? CD2 LEU A 187 1 -ATOM 2681 N N . LYS E 3 188 . 25.187 51.543 -25.409 1.00 30.17 ? N LYS A 188 1 -ATOM 2682 C CA . LYS E 3 188 . 25.034 51.061 -26.791 1.00 34.6 ? CA LYS A 188 1 -ATOM 2683 C C . LYS E 3 188 . 25.583 49.621 -26.887 1.00 33.97 ? C LYS A 188 1 -ATOM 2684 O O . LYS E 3 188 . 24.856 48.695 -27.266 1.00 34.67 ? O LYS A 188 1 -ATOM 2685 C CB . LYS E 3 188 . 25.810 51.985 -27.730 1.00 37.75 ? CB LYS A 188 1 -ATOM 2686 C CG . LYS E 3 188 . 25.101 52.351 -29.020 1.00 48.7 ? CG LYS A 188 1 -ATOM 2687 C CD . LYS E 3 188 . 25.928 53.400 -29.790 1.00 55 ? CD LYS A 188 1 -ATOM 2688 C CE . LYS E 3 188 . 26.118 54.709 -28.991 1.00 52.68 ? CE LYS A 188 1 -ATOM 2689 N NZ . LYS E 3 188 . 26.995 55.698 -29.680 1.00 47.03 ? NZ LYS A 188 1 -ATOM 2690 N N . MET E 3 189 . 26.856 49.456 -26.522 1.00 22.9 ? N MET A 189 1 -ATOM 2691 C CA . MET E 3 189 . 27.534 48.157 -26.483 1.00 22.26 ? CA MET A 189 1 -ATOM 2692 C C . MET E 3 189 . 26.643 47.093 -25.810 1.00 25.82 ? C MET A 189 1 -ATOM 2693 O O . MET E 3 189 . 26.380 46.045 -26.406 1.00 31.82 ? O MET A 189 1 -ATOM 2694 C CB . MET E 3 189 . 28.843 48.326 -25.720 1.00 18.51 ? CB MET A 189 1 -ATOM 2695 C CG . MET E 3 189 . 30.031 47.529 -26.237 1.00 21.59 ? CG MET A 189 1 -ATOM 2696 S SD . MET E 3 189 . 31.599 48.175 -25.520 1.00 32.16 ? SD MET A 189 1 -ATOM 2697 C CE . MET E 3 189 . 32.785 47.038 -26.205 1.00 27.39 ? CE MET A 189 1 -ATOM 2698 N N . LEU E 3 190 . 26.143 47.379 -24.604 1.00 22.69 ? N LEU A 190 1 -ATOM 2699 C CA . LEU E 3 190 . 25.262 46.472 -23.852 1.00 18.5 ? CA LEU A 190 1 -ATOM 2700 C C . LEU E 3 190 . 24.003 46.110 -24.597 1.00 19.01 ? C LEU A 190 1 -ATOM 2701 O O . LEU E 3 190 . 23.480 45.016 -24.464 1.00 20.28 ? O LEU A 190 1 -ATOM 2702 C CB . LEU E 3 190 . 24.901 47.119 -22.522 1.00 12.97 ? CB LEU A 190 1 -ATOM 2703 C CG . LEU E 3 190 . 26.079 47.008 -21.562 1.00 14.05 ? CG LEU A 190 1 -ATOM 2704 C CD1 . LEU E 3 190 . 26.399 48.283 -20.799 1.00 11.88 ? CD1 LEU A 190 1 -ATOM 2705 C CD2 . LEU E 3 190 . 25.707 45.862 -20.684 1.00 19.02 ? CD2 LEU A 190 1 -ATOM 2706 N N . GLU E 3 191 . 23.485 47.040 -25.369 1.00 27.73 ? N GLU A 191 1 -ATOM 2707 C CA . GLU E 3 191 . 22.298 46.729 -26.135 1.00 30.4 ? CA GLU A 191 1 -ATOM 2708 C C . GLU E 3 191 . 22.707 45.788 -27.271 1.00 28.65 ? C GLU A 191 1 -ATOM 2709 O O . GLU E 3 191 . 22.086 44.765 -27.474 1.00 33.58 ? O GLU A 191 1 -ATOM 2710 C CB . GLU E 3 191 . 21.686 48.020 -26.691 1.00 25.77 ? CB GLU A 191 1 -ATOM 2711 C CG . GLU E 3 191 . 20.186 47.905 -26.960 1.00 19.87 ? CG GLU A 191 1 -ATOM 2712 C CD . GLU E 3 191 . 19.535 49.247 -27.251 1.00 28.45 ? CD GLU A 191 1 -ATOM 2713 O OE1 . GLU E 3 191 . 18.290 49.252 -27.321 1.00 28.93 ? OE1 GLU A 191 1 -ATOM 2714 O OE2 . GLU E 3 191 . 20.251 50.279 -27.403 1.00 32.26 ? OE2 GLU A 191 1 -ATOM 2715 N N . ASP E 3 192 . 23.761 46.117 -27.999 1.00 15.74 ? N ASP A 192 1 -ATOM 2716 C CA . ASP E 3 192 . 24.233 45.236 -29.046 1.00 15.17 ? CA ASP A 192 1 -ATOM 2717 C C . ASP E 3 192 . 24.372 43.808 -28.520 1.00 21.74 ? C ASP A 192 1 -ATOM 2718 O O . ASP E 3 192 . 24.078 42.866 -29.249 1.00 30.73 ? O ASP A 192 1 -ATOM 2719 C CB . ASP E 3 192 . 25.594 45.687 -29.566 1.00 24.25 ? CB ASP A 192 1 -ATOM 2720 C CG . ASP E 3 192 . 25.538 47.034 -30.254 1.00 36.14 ? CG ASP A 192 1 -ATOM 2721 O OD1 . ASP E 3 192 . 24.445 47.423 -30.713 1.00 36.88 ? OD1 ASP A 192 1 -ATOM 2722 O OD2 . ASP E 3 192 . 26.593 47.706 -30.346 1.00 44.01 ? OD2 ASP A 192 1 -ATOM 2723 N N . GLN E 3 193 . 24.844 43.632 -27.280 1.00 19.56 ? N GLN A 193 1 -ATOM 2724 C CA . GLN E 3 193 . 24.984 42.279 -26.712 1.00 10.28 ? CA GLN A 193 1 -ATOM 2725 C C . GLN E 3 193 . 23.640 41.714 -26.327 1.00 11.96 ? C GLN A 193 1 -ATOM 2726 O O . GLN E 3 193 . 23.527 40.537 -26.021 1.00 16.64 ? O GLN A 193 1 -ATOM 2727 C CB . GLN E 3 193 . 25.870 42.284 -25.476 1.00 9.3 ? CB GLN A 193 1 -ATOM 2728 C CG . GLN E 3 193 . 27.345 42.580 -25.736 1.00 10.66 ? CG GLN A 193 1 -ATOM 2729 C CD . GLN E 3 193 . 28.131 42.582 -24.419 1.00 24.5 ? CD GLN A 193 1 -ATOM 2730 O OE1 . GLN E 3 193 . 28.675 43.604 -24.022 1.00 30.4 ? OE1 GLN A 193 1 -ATOM 2731 N NE2 . GLN E 3 193 . 28.181 41.446 -23.739 1.00 25.74 ? NE2 GLN A 193 1 -ATOM 2732 N N . ASN E 3 194 . 22.641 42.582 -26.326 1.00 6 ? N ASN A 194 1 -ATOM 2733 C CA . ASN E 3 194 . 21.233 42.279 -26.054 1.00 13.25 ? CA ASN A 194 1 -ATOM 2734 C C . ASN E 3 194 . 20.955 42.179 -24.560 1.00 18.36 ? C ASN A 194 1 -ATOM 2735 O O . ASN E 3 194 . 20.029 41.482 -24.131 1.00 32.17 ? O ASN A 194 1 -ATOM 2736 C CB . ASN E 3 194 . 20.818 40.954 -26.727 1.00 27.73 ? CB ASN A 194 1 -ATOM 2737 C CG . ASN E 3 194 . 21.199 40.871 -28.230 1.00 44.19 ? CG ASN A 194 1 -ATOM 2738 O OD1 . ASN E 3 194 . 20.868 41.744 -29.030 1.00 50.76 ? OD1 ASN A 194 1 -ATOM 2739 N ND2 . ASN E 3 194 . 21.889 39.786 -28.609 1.00 55 ? ND2 ASN A 194 1 -ATOM 2740 N N . LEU E 3 195 . 21.744 42.887 -23.755 1.00 13.17 ? N LEU A 195 1 -ATOM 2741 C CA . LEU E 3 195 . 21.591 42.850 -22.302 1.00 14.94 ? CA LEU A 195 1 -ATOM 2742 C C . LEU E 3 195 . 20.598 43.877 -21.746 1.00 18.36 ? C LEU A 195 1 -ATOM 2743 O O . LEU E 3 195 . 20.198 43.770 -20.601 1.00 14.45 ? O LEU A 195 1 -ATOM 2744 C CB . LEU E 3 195 . 22.973 43.045 -21.640 1.00 11.28 ? CB LEU A 195 1 -ATOM 2745 C CG . LEU E 3 195 . 23.847 41.776 -21.746 1.00 9.83 ? CG LEU A 195 1 -ATOM 2746 C CD1 . LEU E 3 195 . 25.158 42.059 -21.127 1.00 6 ? CD1 LEU A 195 1 -ATOM 2747 C CD2 . LEU E 3 195 . 23.211 40.584 -21.027 1.00 7.24 ? CD2 LEU A 195 1 -ATOM 2748 N N . ILE E 3 196 . 20.193 44.862 -22.543 1.00 31.48 ? N ILE A 196 1 -ATOM 2749 C CA . ILE E 3 196 . 19.250 45.918 -22.120 1.00 27.12 ? CA ILE A 196 1 -ATOM 2750 C C . ILE E 3 196 . 18.582 46.506 -23.365 1.00 26.51 ? C ILE A 196 1 -ATOM 2751 O O . ILE E 3 196 . 18.933 46.125 -24.472 1.00 20.22 ? O ILE A 196 1 -ATOM 2752 C CB . ILE E 3 196 . 19.975 47.111 -21.381 1.00 19.68 ? CB ILE A 196 1 -ATOM 2753 C CG1 . ILE E 3 196 . 20.829 47.921 -22.363 1.00 13.37 ? CG1 ILE A 196 1 -ATOM 2754 C CG2 . ILE E 3 196 . 20.928 46.580 -20.332 1.00 18.05 ? CG2 ILE A 196 1 -ATOM 2755 C CD1 . ILE E 3 196 . 21.673 49.028 -21.682 1.00 11.77 ? CD1 ILE A 196 1 -ATOM 2756 N N . SER E 3 197 . 17.603 47.382 -23.206 1.00 24.29 ? N SER A 197 1 -ATOM 2757 C CA . SER E 3 197 . 17.077 48.100 -24.354 1.00 20.89 ? CA SER A 197 1 -ATOM 2758 C C . SER E 3 197 . 16.804 49.468 -23.793 1.00 24.85 ? C SER A 197 1 -ATOM 2759 O O . SER E 3 197 . 16.241 49.606 -22.705 1.00 23.41 ? O SER A 197 1 -ATOM 2760 C CB . SER E 3 197 . 15.795 47.473 -24.885 1.00 12.72 ? CB SER A 197 1 -ATOM 2761 O OG . SER E 3 197 . 14.734 47.643 -23.993 1.00 16.09 ? OG SER A 197 1 -ATOM 2762 N N . ALA E 3 198 . 17.239 50.475 -24.526 1.00 31.93 ? N ALA A 198 1 -ATOM 2763 C CA . ALA E 3 198 . 17.156 51.854 -24.072 1.00 30.93 ? CA ALA A 198 1 -ATOM 2764 C C . ALA E 3 198 . 16.503 52.786 -25.069 1.00 29.93 ? C ALA A 198 1 -ATOM 2765 O O . ALA E 3 198 . 16.359 52.447 -26.216 1.00 33.61 ? O ALA A 198 1 -ATOM 2766 C CB . ALA E 3 198 . 18.545 52.337 -23.776 1.00 30.54 ? CB ALA A 198 1 -ATOM 2767 N N . HIS E 3 199 . 16.159 53.990 -24.624 1.00 38.11 ? N HIS A 199 1 -ATOM 2768 C CA . HIS E 3 199 . 15.483 55.008 -25.451 1.00 36.12 ? CA HIS A 199 1 -ATOM 2769 C C . HIS E 3 199 . 14.906 56.079 -24.477 1.00 35.84 ? C HIS A 199 1 -ATOM 2770 O O . HIS E 3 199 . 13.855 56.647 -24.726 1.00 34.63 ? O HIS A 199 1 -ATOM 2771 C CB . HIS E 3 199 . 14.393 54.274 -26.239 1.00 38.64 ? CB HIS A 199 1 -ATOM 2772 C CG . HIS E 3 199 . 13.387 55.160 -26.881 1.00 50.54 ? CG HIS A 199 1 -ATOM 2773 N ND1 . HIS E 3 199 . 12.048 55.106 -26.558 1.00 47.44 ? ND1 HIS A 199 1 -ATOM 2774 C CD2 . HIS E 3 199 . 13.516 56.141 -27.809 1.00 50.46 ? CD2 HIS A 199 1 -ATOM 2775 C CE1 . HIS E 3 199 . 11.387 56.013 -27.252 1.00 50.9 ? CE1 HIS A 199 1 -ATOM 2776 N NE2 . HIS E 3 199 . 12.257 56.653 -28.018 1.00 53.55 ? NE2 HIS A 199 1 -ATOM 2777 N N . GLY E 3 200 . 15.633 56.361 -23.393 1.00 40.6 ? N GLY A 200 1 -ATOM 2778 C CA . GLY E 3 200 . 15.180 57.237 -22.306 1.00 38.26 ? CA GLY A 200 1 -ATOM 2779 C C . GLY E 3 200 . 14.804 56.313 -21.127 1.00 39.05 ? C GLY A 200 1 -ATOM 2780 O O . GLY E 3 200 . 15.325 56.376 -19.982 1.00 22.5 ? O GLY A 200 1 -ATOM 2781 N N . LYS E 3 201 . 13.834 55.449 -21.403 1.00 40.63 ? N LYS A 201 1 -ATOM 2782 C CA . LYS E 3 201 . 13.513 54.431 -20.435 1.00 39.59 ? CA LYS A 201 1 -ATOM 2783 C C . LYS E 3 201 . 14.408 53.265 -20.819 1.00 36.65 ? C LYS A 201 1 -ATOM 2784 O O . LYS E 3 201 . 14.655 53.040 -21.996 1.00 41.86 ? O LYS A 201 1 -ATOM 2785 C CB . LYS E 3 201 . 12.014 54.072 -20.514 1.00 37.87 ? CB LYS A 201 1 -ATOM 2786 C CG . LYS E 3 201 . 11.402 53.850 -21.875 1.00 38.9 ? CG LYS A 201 1 -ATOM 2787 C CD . LYS E 3 201 . 11.902 52.585 -22.569 1.00 43.23 ? CD LYS A 201 1 -ATOM 2788 C CE . LYS E 3 201 . 11.087 52.226 -23.844 1.00 44.23 ? CE LYS A 201 1 -ATOM 2789 N NZ . LYS E 3 201 . 11.620 50.970 -24.482 1.00 41.29 ? NZ LYS A 201 1 -ATOM 2790 N N . THR E 3 202 . 14.944 52.558 -19.840 1.00 28.72 ? N THR A 202 1 -ATOM 2791 C CA . THR E 3 202 . 15.822 51.453 -20.150 1.00 19.94 ? CA THR A 202 1 -ATOM 2792 C C . THR E 3 202 . 15.253 50.205 -19.575 1.00 18.34 ? C THR A 202 1 -ATOM 2793 O O . THR E 3 202 . 14.516 50.265 -18.598 1.00 18.19 ? O THR A 202 1 -ATOM 2794 C CB . THR E 3 202 . 17.185 51.635 -19.551 1.00 18.1 ? CB THR A 202 1 -ATOM 2795 O OG1 . THR E 3 202 . 17.719 52.896 -19.955 1.00 22.06 ? OG1 THR A 202 1 -ATOM 2796 C CG2 . THR E 3 202 . 18.123 50.582 -20.051 1.00 16.92 ? CG2 THR A 202 1 -ATOM 2797 N N . ILE E 3 203 . 15.571 49.082 -20.193 1.00 12.33 ? N ILE A 203 1 -ATOM 2798 C CA . ILE E 3 203 . 15.131 47.801 -19.689 1.00 17.49 ? CA ILE A 203 1 -ATOM 2799 C C . ILE E 3 203 . 16.394 47.051 -19.385 1.00 20.87 ? C ILE A 203 1 -ATOM 2800 O O . ILE E 3 203 . 17.320 47.026 -20.205 1.00 25.38 ? O ILE A 203 1 -ATOM 2801 C CB . ILE E 3 203 . 14.324 46.957 -20.731 1.00 30.93 ? CB ILE A 203 1 -ATOM 2802 C CG1 . ILE E 3 203 . 12.945 47.573 -20.950 1.00 29.56 ? CG1 ILE A 203 1 -ATOM 2803 C CG2 . ILE E 3 203 . 14.214 45.513 -20.253 1.00 29.31 ? CG2 ILE A 203 1 -ATOM 2804 C CD1 . ILE E 3 203 . 12.963 48.788 -21.845 1.00 39.12 ? CD1 ILE A 203 1 -ATOM 2805 N N . VAL E 3 204 . 16.475 46.493 -18.189 1.00 22.88 ? N VAL A 204 1 -ATOM 2806 C CA . VAL E 3 204 . 17.632 45.693 -17.845 1.00 19.38 ? CA VAL A 204 1 -ATOM 2807 C C . VAL E 3 204 . 17.099 44.261 -18.011 1.00 24.35 ? C VAL A 204 1 -ATOM 2808 O O . VAL E 3 204 . 15.936 43.974 -17.640 1.00 14.54 ? O VAL A 204 1 -ATOM 2809 C CB . VAL E 3 204 . 18.048 45.966 -16.394 1.00 18.13 ? CB VAL A 204 1 -ATOM 2810 C CG1 . VAL E 3 204 . 19.384 45.296 -16.098 1.00 21.2 ? CG1 VAL A 204 1 -ATOM 2811 C CG2 . VAL E 3 204 . 18.130 47.463 -16.174 1.00 29.06 ? CG2 VAL A 204 1 -ATOM 2812 N N . VAL E 3 205 . 17.949 43.395 -18.564 1.00 26.57 ? N VAL A 205 1 -ATOM 2813 C CA . VAL E 3 205 . 17.664 41.974 -18.886 1.00 29.35 ? CA VAL A 205 1 -ATOM 2814 C C . VAL E 3 205 . 17.006 41.936 -20.263 1.00 30.49 ? C VAL A 205 1 -ATOM 2815 O O . VAL E 3 205 . 15.794 42.006 -20.424 1.00 24.27 ? O VAL A 205 1 -ATOM 2816 C CB . VAL E 3 205 . 16.729 41.301 -17.811 1.00 27.54 ? CB VAL A 205 1 -ATOM 2817 C CG1 . VAL E 3 205 . 16.268 39.902 -18.225 1.00 28.28 ? CG1 VAL A 205 1 -ATOM 2818 C CG2 . VAL E 3 205 . 17.522 41.095 -16.563 1.00 34.11 ? CG2 VAL A 205 1 -ATOM 2819 N N . TYR E 3 206 . 17.893 41.873 -21.254 1.00 37.63 ? N TYR A 206 1 -ATOM 2820 C CA . TYR E 3 206 . 17.576 41.828 -22.675 1.00 43.47 ? CA TYR A 206 1 -ATOM 2821 C C . TYR E 3 206 . 16.423 42.716 -23.135 1.00 48.68 ? C TYR A 206 1 -ATOM 2822 O O . TYR E 3 206 . 15.748 43.405 -22.345 1.00 48.78 ? O TYR A 206 1 -ATOM 2823 C CB . TYR E 3 206 . 17.299 40.342 -23.109 1.00 55 ? CB TYR A 206 1 -ATOM 2824 C CG . TYR E 3 206 . 15.950 39.653 -22.778 1.00 55 ? CG TYR A 206 1 -ATOM 2825 C CD1 . TYR E 3 206 . 15.838 38.702 -21.750 1.00 55 ? CD1 TYR A 206 1 -ATOM 2826 C CD2 . TYR E 3 206 . 14.797 39.941 -23.516 1.00 55 ? CD2 TYR A 206 1 -ATOM 2827 C CE1 . TYR E 3 206 . 14.603 38.048 -21.479 1.00 54.5 ? CE1 TYR A 206 1 -ATOM 2828 C CE2 . TYR E 3 206 . 13.568 39.302 -23.258 1.00 55 ? CE2 TYR A 206 1 -ATOM 2829 C CZ . TYR E 3 206 . 13.467 38.360 -22.242 1.00 55 ? CZ TYR A 206 1 -ATOM 2830 O OH . TYR E 3 206 . 12.219 37.750 -22.026 1.00 55 ? OH TYR A 206 1 -ATOM 2831 N N . GLY E 3 207 . 16.218 42.703 -24.439 1.00 50.28 ? N GLY A 207 1 -ATOM 2832 C CA . GLY E 3 207 . 15.171 43.510 -25.023 1.00 48.38 ? CA GLY A 207 1 -ATOM 2833 C C . GLY E 3 207 . 15.777 44.266 -26.180 1.00 48.9 ? C GLY A 207 1 -ATOM 2834 O O . GLY E 3 207 . 15.061 45.093 -26.801 1.00 48.99 ? O GLY A 207 1 -ATOM 2835 N N . PRO F 3 9 . 32.458 55.919 32.757 1.00 37.76 ? N PRO B 9 1 -ATOM 2836 C CA . PRO F 3 9 . 31.061 56.308 33.040 1.00 42.32 ? CA PRO B 9 1 -ATOM 2837 C C . PRO F 3 9 . 30.110 55.175 32.674 1.00 42.87 ? C PRO B 9 1 -ATOM 2838 O O . PRO F 3 9 . 29.905 54.235 33.456 1.00 39.62 ? O PRO B 9 1 -ATOM 2839 C CB . PRO F 3 9 . 30.821 57.571 32.223 1.00 40.69 ? CB PRO B 9 1 -ATOM 2840 C CG . PRO F 3 9 . 31.619 57.247 30.946 1.00 41.95 ? CG PRO B 9 1 -ATOM 2841 C CD . PRO F 3 9 . 32.907 56.647 31.525 1.00 43.1 ? CD PRO B 9 1 -ATOM 2842 N N . THR F 3 10 . 29.529 55.270 31.484 1.00 43.95 ? N THR B 10 1 -ATOM 2843 C CA . THR F 3 10 . 28.632 54.234 30.999 1.00 40.86 ? CA THR B 10 1 -ATOM 2844 C C . THR F 3 10 . 29.481 53.006 30.641 1.00 36.55 ? C THR B 10 1 -ATOM 2845 O O . THR F 3 10 . 29.137 51.878 30.967 1.00 34.19 ? O THR B 10 1 -ATOM 2846 C CB . THR F 3 10 . 27.857 54.711 29.715 1.00 40.48 ? CB THR B 10 1 -ATOM 2847 O OG1 . THR F 3 10 . 27.258 55.990 29.938 1.00 35.33 ? OG1 THR B 10 1 -ATOM 2848 C CG2 . THR F 3 10 . 26.755 53.755 29.376 1.00 34.81 ? CG2 THR B 10 1 -ATOM 2849 N N . LEU F 3 11 . 30.621 53.270 30.002 1.00 33.11 ? N LEU B 11 1 -ATOM 2850 C CA . LEU F 3 11 . 31.501 52.225 29.469 1.00 36.38 ? CA LEU B 11 1 -ATOM 2851 C C . LEU F 3 11 . 31.904 51.108 30.418 1.00 38.94 ? C LEU B 11 1 -ATOM 2852 O O . LEU F 3 11 . 32.097 49.996 29.943 1.00 33.94 ? O LEU B 11 1 -ATOM 2853 C CB . LEU F 3 11 . 32.805 52.824 28.912 1.00 27.13 ? CB LEU B 11 1 -ATOM 2854 C CG . LEU F 3 11 . 32.748 53.835 27.772 1.00 23.02 ? CG LEU B 11 1 -ATOM 2855 C CD1 . LEU F 3 11 . 34.161 53.918 27.222 1.00 27.23 ? CD1 LEU B 11 1 -ATOM 2856 C CD2 . LEU F 3 11 . 31.807 53.430 26.663 1.00 6.56 ? CD2 LEU B 11 1 -ATOM 2857 N N . GLU F 3 12 . 32.042 51.370 31.723 1.00 44.43 ? N GLU B 12 1 -ATOM 2858 C CA . GLU F 3 12 . 32.478 50.310 32.626 1.00 40.52 ? CA GLU B 12 1 -ATOM 2859 C C . GLU F 3 12 . 31.400 49.304 32.887 1.00 33.49 ? C GLU B 12 1 -ATOM 2860 O O . GLU F 3 12 . 31.705 48.116 32.899 1.00 36.19 ? O GLU B 12 1 -ATOM 2861 C CB . GLU F 3 12 . 32.976 50.894 33.965 1.00 46.7 ? CB GLU B 12 1 -ATOM 2862 C CG . GLU F 3 12 . 34.478 51.375 33.932 1.00 47.64 ? CG GLU B 12 1 -ATOM 2863 C CD . GLU F 3 12 . 35.526 50.240 33.665 1.00 51.36 ? CD GLU B 12 1 -ATOM 2864 O OE1 . GLU F 3 12 . 35.124 49.076 33.400 1.00 52.48 ? OE1 GLU B 12 1 -ATOM 2865 O OE2 . GLU F 3 12 . 36.759 50.496 33.726 1.00 50.54 ? OE2 GLU B 12 1 -ATOM 2866 N N . TRP F 3 13 . 30.156 49.725 33.083 1.00 25.07 ? N TRP B 13 1 -ATOM 2867 C CA . TRP F 3 13 . 29.129 48.710 33.260 1.00 27.05 ? CA TRP B 13 1 -ATOM 2868 C C . TRP F 3 13 . 29.084 47.877 31.964 1.00 31.78 ? C TRP B 13 1 -ATOM 2869 O O . TRP F 3 13 . 28.862 46.654 31.996 1.00 37.55 ? O TRP B 13 1 -ATOM 2870 C CB . TRP F 3 13 . 27.762 49.348 33.511 1.00 26.56 ? CB TRP B 13 1 -ATOM 2871 C CG . TRP F 3 13 . 26.905 49.489 32.315 1.00 29.3 ? CG TRP B 13 1 -ATOM 2872 C CD1 . TRP F 3 13 . 27.130 50.276 31.229 1.00 27.96 ? CD1 TRP B 13 1 -ATOM 2873 C CD2 . TRP F 3 13 . 25.660 48.824 32.077 1.00 30.19 ? CD2 TRP B 13 1 -ATOM 2874 N NE1 . TRP F 3 13 . 26.103 50.154 30.317 1.00 27.93 ? NE1 TRP B 13 1 -ATOM 2875 C CE2 . TRP F 3 13 . 25.183 49.269 30.810 1.00 39.66 ? CE2 TRP B 13 1 -ATOM 2876 C CE3 . TRP F 3 13 . 24.896 47.899 32.806 1.00 27.46 ? CE3 TRP B 13 1 -ATOM 2877 C CZ2 . TRP F 3 13 . 23.972 48.819 30.253 1.00 42.68 ? CZ2 TRP B 13 1 -ATOM 2878 C CZ3 . TRP F 3 13 . 23.690 47.449 32.256 1.00 35.1 ? CZ3 TRP B 13 1 -ATOM 2879 C CH2 . TRP F 3 13 . 23.243 47.913 30.988 1.00 43.87 ? CH2 TRP B 13 1 -ATOM 2880 N N . PHE F 3 14 . 29.297 48.558 30.826 1.00 38.54 ? N PHE B 14 1 -ATOM 2881 C CA . PHE F 3 14 . 29.356 47.941 29.480 1.00 28.83 ? CA PHE B 14 1 -ATOM 2882 C C . PHE F 3 14 . 30.544 47.004 29.408 1.00 27.84 ? C PHE B 14 1 -ATOM 2883 O O . PHE F 3 14 . 30.401 45.804 29.175 1.00 28.9 ? O PHE B 14 1 -ATOM 2884 C CB . PHE F 3 14 . 29.518 49.032 28.378 1.00 30.58 ? CB PHE B 14 1 -ATOM 2885 C CG . PHE F 3 14 . 29.981 48.524 26.987 1.00 19.41 ? CG PHE B 14 1 -ATOM 2886 C CD1 . PHE F 3 14 . 29.073 48.013 26.063 1.00 17.79 ? CD1 PHE B 14 1 -ATOM 2887 C CD2 . PHE F 3 14 . 31.321 48.543 26.652 1.00 13.08 ? CD2 PHE B 14 1 -ATOM 2888 C CE1 . PHE F 3 14 . 29.489 47.537 24.866 1.00 14.72 ? CE1 PHE B 14 1 -ATOM 2889 C CE2 . PHE F 3 14 . 31.736 48.073 25.472 1.00 13.06 ? CE2 PHE B 14 1 -ATOM 2890 C CZ . PHE F 3 14 . 30.811 47.558 24.566 1.00 16.63 ? CZ PHE B 14 1 -ATOM 2891 N N . LEU F 3 15 . 31.710 47.570 29.681 1.00 17.39 ? N LEU B 15 1 -ATOM 2892 C CA . LEU F 3 15 . 32.948 46.865 29.526 1.00 22.6 ? CA LEU B 15 1 -ATOM 2893 C C . LEU F 3 15 . 33.068 45.781 30.536 1.00 24.82 ? C LEU B 15 1 -ATOM 2894 O O . LEU F 3 15 . 34.022 45.025 30.483 1.00 33.6 ? O LEU B 15 1 -ATOM 2895 C CB . LEU F 3 15 . 34.126 47.861 29.642 1.00 39.7 ? CB LEU B 15 1 -ATOM 2896 C CG . LEU F 3 15 . 35.397 47.719 28.729 1.00 53.9 ? CG LEU B 15 1 -ATOM 2897 C CD1 . LEU F 3 15 . 36.286 48.993 28.907 1.00 50.82 ? CD1 LEU B 15 1 -ATOM 2898 C CD2 . LEU F 3 15 . 36.197 46.417 29.087 1.00 54.49 ? CD2 LEU B 15 1 -ATOM 2899 N N . SER F 3 16 . 32.118 45.699 31.465 1.00 37.79 ? N SER B 16 1 -ATOM 2900 C CA . SER F 3 16 . 32.175 44.635 32.463 1.00 39.52 ? CA SER B 16 1 -ATOM 2901 C C . SER F 3 16 . 31.641 43.343 31.842 1.00 37.51 ? C SER B 16 1 -ATOM 2902 O O . SER F 3 16 . 32.288 42.302 31.899 1.00 39.32 ? O SER B 16 1 -ATOM 2903 C CB . SER F 3 16 . 31.343 45.027 33.740 1.00 41.54 ? CB SER B 16 1 -ATOM 2904 O OG . SER F 3 16 . 29.903 45.029 33.661 1.00 27.56 ? OG SER B 16 1 -ATOM 2905 N N . HIS F 3 17 . 30.493 43.437 31.192 1.00 34.03 ? N HIS B 17 1 -ATOM 2906 C CA . HIS F 3 17 . 29.834 42.292 30.577 1.00 34.83 ? CA HIS B 17 1 -ATOM 2907 C C . HIS F 3 17 . 30.555 41.664 29.381 1.00 35.6 ? C HIS B 17 1 -ATOM 2908 O O . HIS F 3 17 . 30.018 40.742 28.757 1.00 36.69 ? O HIS B 17 1 -ATOM 2909 C CB . HIS F 3 17 . 28.434 42.704 30.129 1.00 37.55 ? CB HIS B 17 1 -ATOM 2910 C CG . HIS F 3 17 . 27.521 43.070 31.257 1.00 47.45 ? CG HIS B 17 1 -ATOM 2911 N ND1 . HIS F 3 17 . 27.926 43.843 32.328 1.00 41.72 ? ND1 HIS B 17 1 -ATOM 2912 C CD2 . HIS F 3 17 . 26.220 42.758 31.484 1.00 47.41 ? CD2 HIS B 17 1 -ATOM 2913 C CE1 . HIS F 3 17 . 26.913 43.988 33.165 1.00 44.66 ? CE1 HIS B 17 1 -ATOM 2914 N NE2 . HIS F 3 17 . 25.867 43.340 32.677 1.00 36.89 ? NE2 HIS B 17 1 -ATOM 2915 N N . CYS F 3 18 . 31.743 42.135 29.029 1.00 35.27 ? N CYS B 18 1 -ATOM 2916 C CA . CYS F 3 18 . 32.412 41.573 27.848 1.00 41.77 ? CA CYS B 18 1 -ATOM 2917 C C . CYS F 3 18 . 33.527 40.563 28.133 1.00 36.56 ? C CYS B 18 1 -ATOM 2918 O O . CYS F 3 18 . 34.124 40.568 29.207 1.00 37.26 ? O CYS B 18 1 -ATOM 2919 C CB . CYS F 3 18 . 33.034 42.693 26.979 1.00 49.42 ? CB CYS B 18 1 -ATOM 2920 S SG . CYS F 3 18 . 31.923 43.822 26.055 1.00 41.66 ? SG CYS B 18 1 -ATOM 2921 N N . HIS F 3 19 . 33.803 39.694 27.162 1.00 25.23 ? N HIS B 19 1 -ATOM 2922 C CA . HIS F 3 19 . 34.932 38.799 27.287 1.00 22.22 ? CA HIS B 19 1 -ATOM 2923 C C . HIS F 3 19 . 36.066 39.503 26.587 1.00 21.14 ? C HIS B 19 1 -ATOM 2924 O O . HIS F 3 19 . 35.923 39.970 25.462 1.00 34.45 ? O HIS B 19 1 -ATOM 2925 C CB . HIS F 3 19 . 34.524 37.484 26.671 1.00 16.66 ? CB HIS B 19 1 -ATOM 2926 C CG . HIS F 3 19 . 33.458 36.834 27.491 1.00 31.62 ? CG HIS B 19 1 -ATOM 2927 N ND1 . HIS F 3 19 . 32.145 37.253 27.463 1.00 34.38 ? ND1 HIS B 19 1 -ATOM 2928 C CD2 . HIS F 3 19 . 33.520 35.863 28.430 1.00 27.12 ? CD2 HIS B 19 1 -ATOM 2929 C CE1 . HIS F 3 19 . 31.444 36.573 28.356 1.00 27.9 ? CE1 HIS B 19 1 -ATOM 2930 N NE2 . HIS F 3 19 . 32.255 35.726 28.954 1.00 23.94 ? NE2 HIS B 19 1 -ATOM 2931 N N . ILE F 3 20 . 37.188 39.622 27.257 1.00 13.35 ? N ILE B 20 1 -ATOM 2932 C CA . ILE F 3 20 . 38.245 40.424 26.695 1.00 10.09 ? CA ILE B 20 1 -ATOM 2933 C C . ILE F 3 20 . 39.350 39.611 26.046 1.00 15.22 ? C ILE B 20 1 -ATOM 2934 O O . ILE F 3 20 . 39.764 38.631 26.663 1.00 20.27 ? O ILE B 20 1 -ATOM 2935 C CB . ILE F 3 20 . 38.849 41.299 27.802 1.00 14.23 ? CB ILE B 20 1 -ATOM 2936 C CG1 . ILE F 3 20 . 37.699 41.896 28.659 1.00 16.48 ? CG1 ILE B 20 1 -ATOM 2937 C CG2 . ILE F 3 20 . 39.787 42.345 27.166 1.00 12.88 ? CG2 ILE B 20 1 -ATOM 2938 C CD1 . ILE F 3 20 . 36.555 42.638 27.965 1.00 16.05 ? CD1 ILE B 20 1 -ATOM 2939 N N . HIS F 3 21 . 39.869 40.024 24.862 1.00 14.39 ? N HIS B 21 1 -ATOM 2940 C CA . HIS F 3 21 . 40.975 39.276 24.215 1.00 9.36 ? CA HIS B 21 1 -ATOM 2941 C C . HIS F 3 21 . 42.106 40.157 23.700 1.00 10.34 ? C HIS B 21 1 -ATOM 2942 O O . HIS F 3 21 . 41.943 41.314 23.339 1.00 15.95 ? O HIS B 21 1 -ATOM 2943 C CB . HIS F 3 21 . 40.477 38.436 23.008 1.00 22.76 ? CB HIS B 21 1 -ATOM 2944 C CG . HIS F 3 21 . 39.189 37.702 23.244 1.00 26.39 ? CG HIS B 21 1 -ATOM 2945 N ND1 . HIS F 3 21 . 37.955 38.266 22.981 1.00 33.2 ? ND1 HIS B 21 1 -ATOM 2946 C CD2 . HIS F 3 21 . 38.940 36.453 23.705 1.00 34.96 ? CD2 HIS B 21 1 -ATOM 2947 C CE1 . HIS F 3 21 . 37.003 37.395 23.264 1.00 32.45 ? CE1 HIS B 21 1 -ATOM 2948 N NE2 . HIS F 3 21 . 37.573 36.287 23.706 1.00 35.08 ? NE2 HIS B 21 1 -ATOM 2949 N N . LYS F 3 22 . 43.274 39.567 23.662 1.00 6 ? N LYS B 22 1 -ATOM 2950 C CA . LYS F 3 22 . 44.432 40.253 23.210 1.00 14.86 ? CA LYS B 22 1 -ATOM 2951 C C . LYS F 3 22 . 44.866 39.660 21.838 1.00 22.98 ? C LYS B 22 1 -ATOM 2952 O O . LYS F 3 22 . 45.241 38.490 21.754 1.00 38.29 ? O LYS B 22 1 -ATOM 2953 C CB . LYS F 3 22 . 45.559 40.098 24.248 1.00 21.82 ? CB LYS B 22 1 -ATOM 2954 C CG . LYS F 3 22 . 45.213 40.498 25.686 1.00 34.06 ? CG LYS B 22 1 -ATOM 2955 C CD . LYS F 3 22 . 46.432 40.936 26.557 1.00 36.98 ? CD LYS B 22 1 -ATOM 2956 C CE . LYS F 3 22 . 47.552 39.891 26.815 1.00 43.07 ? CE LYS B 22 1 -ATOM 2957 N NZ . LYS F 3 22 . 48.615 39.675 25.751 1.00 44.52 ? NZ LYS B 22 1 -ATOM 2958 N N . TYR F 3 23 . 44.788 40.435 20.760 1.00 18 ? N TYR B 23 1 -ATOM 2959 C CA . TYR F 3 23 . 45.190 39.969 19.449 1.00 14.94 ? CA TYR B 23 1 -ATOM 2960 C C . TYR F 3 23 . 46.593 40.414 19.156 1.00 14.27 ? C TYR B 23 1 -ATOM 2961 O O . TYR F 3 23 . 46.896 41.585 19.308 1.00 19.55 ? O TYR B 23 1 -ATOM 2962 C CB . TYR F 3 23 . 44.263 40.534 18.400 1.00 21.04 ? CB TYR B 23 1 -ATOM 2963 C CG . TYR F 3 23 . 42.893 39.944 18.419 1.00 16.74 ? CG TYR B 23 1 -ATOM 2964 C CD1 . TYR F 3 23 . 42.608 38.779 17.694 1.00 21.43 ? CD1 TYR B 23 1 -ATOM 2965 C CD2 . TYR F 3 23 . 41.878 40.534 19.128 1.00 18.4 ? CD2 TYR B 23 1 -ATOM 2966 C CE1 . TYR F 3 23 . 41.326 38.222 17.683 1.00 14.61 ? CE1 TYR B 23 1 -ATOM 2967 C CE2 . TYR F 3 23 . 40.593 39.977 19.118 1.00 18.09 ? CE2 TYR B 23 1 -ATOM 2968 C CZ . TYR F 3 23 . 40.344 38.828 18.390 1.00 6 ? CZ TYR B 23 1 -ATOM 2969 O OH . TYR F 3 23 . 39.087 38.327 18.342 1.00 14.48 ? OH TYR B 23 1 -ATOM 2970 N N . PRO F 3 24 . 47.478 39.502 18.755 1.00 6.77 ? N PRO B 24 1 -ATOM 2971 C CA . PRO F 3 24 . 48.831 39.891 18.326 1.00 8.53 ? CA PRO B 24 1 -ATOM 2972 C C . PRO F 3 24 . 48.743 40.735 17.073 1.00 11.19 ? C PRO B 24 1 -ATOM 2973 O O . PRO F 3 24 . 47.733 40.685 16.377 1.00 9.24 ? O PRO B 24 1 -ATOM 2974 C CB . PRO F 3 24 . 49.538 38.553 18.130 1.00 6 ? CB PRO B 24 1 -ATOM 2975 C CG . PRO F 3 24 . 48.407 37.704 17.602 1.00 9.82 ? CG PRO B 24 1 -ATOM 2976 C CD . PRO F 3 24 . 47.328 38.035 18.651 1.00 8.28 ? CD PRO B 24 1 -ATOM 2977 N N . SER F 3 25 . 49.771 41.501 16.770 1.00 13.72 ? N SER B 25 1 -ATOM 2978 C CA . SER F 3 25 . 49.722 42.307 15.561 1.00 21.63 ? CA SER B 25 1 -ATOM 2979 C C . SER F 3 25 . 49.718 41.439 14.294 1.00 17.59 ? C SER B 25 1 -ATOM 2980 O O . SER F 3 25 . 50.435 40.447 14.196 1.00 23.55 ? O SER B 25 1 -ATOM 2981 C CB . SER F 3 25 . 50.914 43.246 15.524 1.00 19.72 ? CB SER B 25 1 -ATOM 2982 O OG . SER F 3 25 . 52.113 42.521 15.645 1.00 31.54 ? OG SER B 25 1 -ATOM 2983 N N . LYS F 3 26 . 48.887 41.871 13.352 1.00 19.23 ? N LYS B 26 1 -ATOM 2984 C CA . LYS F 3 26 . 48.616 41.300 12.024 1.00 20.75 ? CA LYS B 26 1 -ATOM 2985 C C . LYS F 3 26 . 47.551 40.231 12.078 1.00 16.14 ? C LYS B 26 1 -ATOM 2986 O O . LYS F 3 26 . 47.210 39.642 11.055 1.00 18.18 ? O LYS B 26 1 -ATOM 2987 C CB . LYS F 3 26 . 49.895 40.709 11.407 1.00 25.5 ? CB LYS B 26 1 -ATOM 2988 C CG . LYS F 3 26 . 49.710 39.829 10.156 1.00 40.29 ? CG LYS B 26 1 -ATOM 2989 C CD . LYS F 3 26 . 49.004 40.462 8.917 1.00 34.06 ? CD LYS B 26 1 -ATOM 2990 C CE . LYS F 3 26 . 49.688 41.738 8.396 1.00 33.9 ? CE LYS B 26 1 -ATOM 2991 N NZ . LYS F 3 26 . 51.180 41.653 8.255 1.00 31.77 ? NZ LYS B 26 1 -ATOM 2992 N N . SER F 3 27 . 46.969 39.987 13.248 1.00 17.89 ? N SER B 27 1 -ATOM 2993 C CA . SER F 3 27 . 45.950 38.946 13.231 1.00 16.83 ? CA SER B 27 1 -ATOM 2994 C C . SER F 3 27 . 44.657 39.424 12.561 1.00 19.61 ? C SER B 27 1 -ATOM 2995 O O . SER F 3 27 . 44.398 40.603 12.302 1.00 9.87 ? O SER B 27 1 -ATOM 2996 C CB . SER F 3 27 . 45.651 38.421 14.676 1.00 15.62 ? CB SER B 27 1 -ATOM 2997 O OG . SER F 3 27 . 45.285 39.360 15.681 1.00 13.75 ? OG SER B 27 1 -ATOM 2998 N N . THR F 3 28 . 43.825 38.462 12.260 1.00 21.25 ? N THR B 28 1 -ATOM 2999 C CA . THR F 3 28 . 42.620 38.758 11.555 1.00 20.93 ? CA THR B 28 1 -ATOM 3000 C C . THR F 3 28 . 41.431 38.665 12.505 1.00 25.98 ? C THR B 28 1 -ATOM 3001 O O . THR F 3 28 . 40.951 37.562 12.795 1.00 31.52 ? O THR B 28 1 -ATOM 3002 C CB . THR F 3 28 . 42.567 37.767 10.385 1.00 15.71 ? CB THR B 28 1 -ATOM 3003 O OG1 . THR F 3 28 . 43.717 37.982 9.540 1.00 13.94 ? OG1 THR B 28 1 -ATOM 3004 C CG2 . THR F 3 28 . 41.322 37.932 9.610 1.00 9.93 ? CG2 THR B 28 1 -ATOM 3005 N N . LEU F 3 29 . 40.975 39.817 13.011 1.00 18.06 ? N LEU B 29 1 -ATOM 3006 C CA . LEU F 3 29 . 39.830 39.864 13.918 1.00 9.45 ? CA LEU B 29 1 -ATOM 3007 C C . LEU F 3 29 . 38.568 39.478 13.247 1.00 6 ? C LEU B 29 1 -ATOM 3008 O O . LEU F 3 29 . 37.780 38.767 13.826 1.00 7.91 ? O LEU B 29 1 -ATOM 3009 C CB . LEU F 3 29 . 39.578 41.250 14.484 1.00 10.97 ? CB LEU B 29 1 -ATOM 3010 C CG . LEU F 3 29 . 40.511 42.023 15.422 1.00 22.39 ? CG LEU B 29 1 -ATOM 3011 C CD1 . LEU F 3 29 . 39.795 42.264 16.788 1.00 13.4 ? CD1 LEU B 29 1 -ATOM 3012 C CD2 . LEU F 3 29 . 41.848 41.277 15.479 1.00 6 ? CD2 LEU B 29 1 -ATOM 3013 N N . ILE F 3 30 . 38.361 39.981 12.031 1.00 8.21 ? N ILE B 30 1 -ATOM 3014 C CA . ILE F 3 30 . 37.118 39.760 11.280 1.00 6.64 ? CA ILE B 30 1 -ATOM 3015 C C . ILE F 3 30 . 37.375 39.366 9.802 1.00 14.5 ? C ILE B 30 1 -ATOM 3016 O O . ILE F 3 30 . 38.346 39.835 9.198 1.00 8.89 ? O ILE B 30 1 -ATOM 3017 C CB . ILE F 3 30 . 36.272 41.042 11.312 1.00 12.51 ? CB ILE B 30 1 -ATOM 3018 C CG1 . ILE F 3 30 . 35.933 41.408 12.752 1.00 12.57 ? CG1 ILE B 30 1 -ATOM 3019 C CG2 . ILE F 3 30 . 35.016 40.842 10.538 1.00 10.78 ? CG2 ILE B 30 1 -ATOM 3020 C CD1 . ILE F 3 30 . 34.920 42.511 12.843 1.00 6 ? CD1 ILE B 30 1 -ATOM 3021 N N . HIS F 3 31 . 36.509 38.514 9.235 1.00 7.83 ? N HIS B 31 1 -ATOM 3022 C CA . HIS F 3 31 . 36.632 38.072 7.842 1.00 14.58 ? CA HIS B 31 1 -ATOM 3023 C C . HIS F 3 31 . 35.425 38.523 7.030 1.00 17.66 ? C HIS B 31 1 -ATOM 3024 O O . HIS F 3 31 . 34.288 38.497 7.512 1.00 24.15 ? O HIS B 31 1 -ATOM 3025 C CB . HIS F 3 31 . 36.697 36.523 7.700 1.00 31.78 ? CB HIS B 31 1 -ATOM 3026 C CG . HIS F 3 31 . 38.009 35.895 8.074 1.00 37.88 ? CG HIS B 31 1 -ATOM 3027 N ND1 . HIS F 3 31 . 38.341 35.561 9.372 1.00 39.86 ? ND1 HIS B 31 1 -ATOM 3028 C CD2 . HIS F 3 31 . 39.070 35.531 7.310 1.00 46.34 ? CD2 HIS B 31 1 -ATOM 3029 C CE1 . HIS F 3 31 . 39.549 35.021 9.390 1.00 41.14 ? CE1 HIS B 31 1 -ATOM 3030 N NE2 . HIS F 3 31 . 40.015 34.991 8.154 1.00 37.98 ? NE2 HIS B 31 1 -ATOM 3031 N N . GLN F 3 32 . 35.636 38.909 5.781 1.00 23.12 ? N GLN B 32 1 -ATOM 3032 C CA . GLN F 3 32 . 34.471 39.302 5.006 1.00 27.47 ? CA GLN B 32 1 -ATOM 3033 C C . GLN F 3 32 . 33.542 38.136 4.834 1.00 27.1 ? C GLN B 32 1 -ATOM 3034 O O . GLN F 3 32 . 34.002 37.025 4.604 1.00 38.08 ? O GLN B 32 1 -ATOM 3035 C CB . GLN F 3 32 . 34.827 39.783 3.605 1.00 32.49 ? CB GLN B 32 1 -ATOM 3036 C CG . GLN F 3 32 . 35.245 41.228 3.504 1.00 39.62 ? CG GLN B 32 1 -ATOM 3037 C CD . GLN F 3 32 . 34.943 41.821 2.134 1.00 38.88 ? CD GLN B 32 1 -ATOM 3038 O OE1 . GLN F 3 32 . 33.786 41.847 1.705 1.00 35.87 ? OE1 GLN B 32 1 -ATOM 3039 N NE2 . GLN F 3 32 . 35.977 42.309 1.445 1.00 43.99 ? NE2 GLN B 32 1 -ATOM 3040 N N . GLY F 3 33 . 32.251 38.383 4.985 1.00 19.84 ? N GLY B 33 1 -ATOM 3041 C CA . GLY F 3 33 . 31.256 37.359 4.727 1.00 14.69 ? CA GLY B 33 1 -ATOM 3042 C C . GLY F 3 33 . 30.890 36.465 5.891 1.00 18.41 ? C GLY B 33 1 -ATOM 3043 O O . GLY F 3 33 . 29.826 35.823 5.820 1.00 21.7 ? O GLY B 33 1 -ATOM 3044 N N . GLU F 3 34 . 31.728 36.395 6.927 1.00 11.4 ? N GLU B 34 1 -ATOM 3045 C CA . GLU F 3 34 . 31.463 35.538 8.085 1.00 11.02 ? CA GLU B 34 1 -ATOM 3046 C C . GLU F 3 34 . 30.179 36.038 8.678 1.00 11.2 ? C GLU B 34 1 -ATOM 3047 O O . GLU F 3 34 . 29.910 37.206 8.539 1.00 24.91 ? O GLU B 34 1 -ATOM 3048 C CB . GLU F 3 34 . 32.698 35.651 9.006 1.00 20.14 ? CB GLU B 34 1 -ATOM 3049 C CG . GLU F 3 34 . 32.679 35.007 10.403 1.00 37.34 ? CG GLU B 34 1 -ATOM 3050 C CD . GLU F 3 34 . 32.150 35.977 11.461 1.00 41.39 ? CD GLU B 34 1 -ATOM 3051 O OE1 . GLU F 3 34 . 30.928 35.972 11.661 1.00 36.54 ? OE1 GLU B 34 1 -ATOM 3052 O OE2 . GLU F 3 34 . 32.944 36.754 12.073 1.00 37.97 ? OE2 GLU B 34 1 -ATOM 3053 N N . LYS F 3 35 . 29.359 35.184 9.294 1.00 29.11 ? N LYS B 35 1 -ATOM 3054 C CA . LYS F 3 35 . 28.042 35.638 9.800 1.00 34.78 ? CA LYS B 35 1 -ATOM 3055 C C . LYS F 3 35 . 28.166 36.400 11.121 1.00 35.6 ? C LYS B 35 1 -ATOM 3056 O O . LYS F 3 35 . 28.685 35.915 12.129 1.00 29.45 ? O LYS B 35 1 -ATOM 3057 C CB . LYS F 3 35 . 27.069 34.423 9.962 1.00 33.41 ? CB LYS B 35 1 -ATOM 3058 C CG . LYS F 3 35 . 27.248 33.480 11.157 1.00 26.13 ? CG LYS B 35 1 -ATOM 3059 C CD . LYS F 3 35 . 28.690 32.949 11.277 1.00 41.93 ? CD LYS B 35 1 -ATOM 3060 C CE . LYS F 3 35 . 29.021 31.600 10.585 1.00 46.62 ? CE LYS B 35 1 -ATOM 3061 N NZ . LYS F 3 35 . 28.726 30.406 11.477 1.00 44.71 ? NZ LYS B 35 1 -ATOM 3062 N N . ALA F 3 36 . 27.643 37.619 11.074 1.00 37.64 ? N ALA B 36 1 -ATOM 3063 C CA . ALA F 3 36 . 27.747 38.576 12.148 1.00 33.6 ? CA ALA B 36 1 -ATOM 3064 C C . ALA F 3 36 . 26.949 38.271 13.383 1.00 29.25 ? C ALA B 36 1 -ATOM 3065 O O . ALA F 3 36 . 25.741 38.420 13.363 1.00 26.96 ? O ALA B 36 1 -ATOM 3066 C CB . ALA F 3 36 . 27.347 39.900 11.624 1.00 27.74 ? CB ALA B 36 1 -ATOM 3067 N N . GLU F 3 37 . 27.636 37.904 14.467 1.00 37.26 ? N GLU B 37 1 -ATOM 3068 C CA . GLU F 3 37 . 26.992 37.622 15.753 1.00 37.4 ? CA GLU B 37 1 -ATOM 3069 C C . GLU F 3 37 . 27.598 38.398 16.951 1.00 35.41 ? C GLU B 37 1 -ATOM 3070 O O . GLU F 3 37 . 26.900 38.592 17.954 1.00 34.05 ? O GLU B 37 1 -ATOM 3071 C CB . GLU F 3 37 . 27.069 36.124 16.067 1.00 34.07 ? CB GLU B 37 1 -ATOM 3072 C CG . GLU F 3 37 . 25.950 35.680 16.987 1.00 44.03 ? CG GLU B 37 1 -ATOM 3073 C CD . GLU F 3 37 . 24.600 35.877 16.308 1.00 50.13 ? CD GLU B 37 1 -ATOM 3074 O OE1 . GLU F 3 37 . 24.542 35.590 15.087 1.00 53.63 ? OE1 GLU B 37 1 -ATOM 3075 O OE2 . GLU F 3 37 . 23.613 36.313 16.957 1.00 45.09 ? OE2 GLU B 37 1 -ATOM 3076 N N . THR F 3 38 . 28.856 38.842 16.861 1.00 27.87 ? N THR B 38 1 -ATOM 3077 C CA . THR F 3 38 . 29.537 39.546 17.968 1.00 26.76 ? CA THR B 38 1 -ATOM 3078 C C . THR F 3 38 . 29.883 41.022 17.769 1.00 25.94 ? C THR B 38 1 -ATOM 3079 O O . THR F 3 38 . 30.399 41.380 16.714 1.00 25.29 ? O THR B 38 1 -ATOM 3080 C CB . THR F 3 38 . 30.837 38.899 18.285 1.00 29.73 ? CB THR B 38 1 -ATOM 3081 O OG1 . THR F 3 38 . 31.516 38.660 17.043 1.00 36.73 ? OG1 THR B 38 1 -ATOM 3082 C CG2 . THR F 3 38 . 30.638 37.596 19.036 1.00 46.43 ? CG2 THR B 38 1 -ATOM 3083 N N . LEU F 3 39 . 29.636 41.875 18.766 1.00 20.3 ? N LEU B 39 1 -ATOM 3084 C CA . LEU F 3 39 . 30.067 43.285 18.663 1.00 19.19 ? CA LEU B 39 1 -ATOM 3085 C C . LEU F 3 39 . 31.437 43.296 19.303 1.00 19.01 ? C LEU B 39 1 -ATOM 3086 O O . LEU F 3 39 . 31.714 42.361 20.046 1.00 30.91 ? O LEU B 39 1 -ATOM 3087 C CB . LEU F 3 39 . 29.139 44.271 19.445 1.00 18.04 ? CB LEU B 39 1 -ATOM 3088 C CG . LEU F 3 39 . 29.412 45.805 19.280 1.00 29.51 ? CG LEU B 39 1 -ATOM 3089 C CD1 . LEU F 3 39 . 29.040 46.325 17.857 1.00 18.65 ? CD1 LEU B 39 1 -ATOM 3090 C CD2 . LEU F 3 39 . 28.502 46.573 20.236 1.00 24.87 ? CD2 LEU B 39 1 -ATOM 3091 N N . TYR F 3 40 . 32.296 44.277 19.021 1.00 13.99 ? N TYR B 40 1 -ATOM 3092 C CA . TYR F 3 40 . 33.615 44.346 19.666 1.00 12.21 ? CA TYR B 40 1 -ATOM 3093 C C . TYR F 3 40 . 33.865 45.747 20.132 1.00 18.07 ? C TYR B 40 1 -ATOM 3094 O O . TYR F 3 40 . 33.082 46.648 19.864 1.00 23.15 ? O TYR B 40 1 -ATOM 3095 C CB . TYR F 3 40 . 34.808 44.036 18.761 1.00 12.84 ? CB TYR B 40 1 -ATOM 3096 C CG . TYR F 3 40 . 34.866 42.655 18.160 1.00 25.14 ? CG TYR B 40 1 -ATOM 3097 C CD1 . TYR F 3 40 . 33.798 42.141 17.429 1.00 23.5 ? CD1 TYR B 40 1 -ATOM 3098 C CD2 . TYR F 3 40 . 36.007 41.873 18.281 1.00 21.33 ? CD2 TYR B 40 1 -ATOM 3099 C CE1 . TYR F 3 40 . 33.876 40.888 16.835 1.00 27.68 ? CE1 TYR B 40 1 -ATOM 3100 C CE2 . TYR F 3 40 . 36.095 40.638 17.696 1.00 17.24 ? CE2 TYR B 40 1 -ATOM 3101 C CZ . TYR F 3 40 . 35.035 40.148 16.974 1.00 25.99 ? CZ TYR B 40 1 -ATOM 3102 O OH . TYR F 3 40 . 35.131 38.920 16.360 1.00 37.56 ? OH TYR B 40 1 -ATOM 3103 N N . TYR F 3 41 . 34.989 45.912 20.810 1.00 17.64 ? N TYR B 41 1 -ATOM 3104 C CA . TYR F 3 41 . 35.390 47.188 21.323 1.00 18.09 ? CA TYR B 41 1 -ATOM 3105 C C . TYR F 3 41 . 36.905 47.137 21.464 1.00 19.55 ? C TYR B 41 1 -ATOM 3106 O O . TYR F 3 41 . 37.493 46.182 21.980 1.00 20.17 ? O TYR B 41 1 -ATOM 3107 C CB . TYR F 3 41 . 34.744 47.478 22.709 1.00 16.69 ? CB TYR B 41 1 -ATOM 3108 C CG . TYR F 3 41 . 34.989 48.923 23.223 1.00 21.47 ? CG TYR B 41 1 -ATOM 3109 C CD1 . TYR F 3 41 . 36.216 49.298 23.795 1.00 24.01 ? CD1 TYR B 41 1 -ATOM 3110 C CD2 . TYR F 3 41 . 34.019 49.924 23.067 1.00 24.72 ? CD2 TYR B 41 1 -ATOM 3111 C CE1 . TYR F 3 41 . 36.472 50.630 24.190 1.00 28.2 ? CE1 TYR B 41 1 -ATOM 3112 C CE2 . TYR F 3 41 . 34.257 51.251 23.454 1.00 18.88 ? CE2 TYR B 41 1 -ATOM 3113 C CZ . TYR F 3 41 . 35.489 51.603 24.008 1.00 26.14 ? CZ TYR B 41 1 -ATOM 3114 O OH . TYR F 3 41 . 35.754 52.921 24.322 1.00 18.15 ? OH TYR B 41 1 -ATOM 3115 N N . ILE F 3 42 . 37.535 48.178 20.951 1.00 24.33 ? N ILE B 42 1 -ATOM 3116 C CA . ILE F 3 42 . 38.950 48.292 21.024 1.00 15.99 ? CA ILE B 42 1 -ATOM 3117 C C . ILE F 3 42 . 39.316 48.925 22.347 1.00 24.16 ? C ILE B 42 1 -ATOM 3118 O O . ILE F 3 42 . 39.129 50.143 22.565 1.00 13.38 ? O ILE B 42 1 -ATOM 3119 C CB . ILE F 3 42 . 39.462 49.144 19.929 1.00 6 ? CB ILE B 42 1 -ATOM 3120 C CG1 . ILE F 3 42 . 39.118 48.519 18.601 1.00 8.63 ? CG1 ILE B 42 1 -ATOM 3121 C CG2 . ILE F 3 42 . 40.947 49.253 20.044 1.00 9.34 ? CG2 ILE B 42 1 -ATOM 3122 C CD1 . ILE F 3 42 . 39.994 49.009 17.549 1.00 6 ? CD1 ILE B 42 1 -ATOM 3123 N N . VAL F 3 43 . 39.803 48.083 23.245 1.00 23.12 ? N VAL B 43 1 -ATOM 3124 C CA . VAL F 3 43 . 40.201 48.557 24.536 1.00 24.99 ? CA VAL B 43 1 -ATOM 3125 C C . VAL F 3 43 . 41.634 49.036 24.471 1.00 26.85 ? C VAL B 43 1 -ATOM 3126 O O . VAL F 3 43 . 42.006 49.966 25.172 1.00 28.87 ? O VAL B 43 1 -ATOM 3127 C CB . VAL F 3 43 . 40.041 47.448 25.551 1.00 27.06 ? CB VAL B 43 1 -ATOM 3128 C CG1 . VAL F 3 43 . 40.319 47.980 26.911 1.00 38.37 ? CG1 VAL B 43 1 -ATOM 3129 C CG2 . VAL F 3 43 . 38.607 46.937 25.538 1.00 32.14 ? CG2 VAL B 43 1 -ATOM 3130 N N . LYS F 3 44 . 42.458 48.413 23.640 1.00 22.08 ? N LYS B 44 1 -ATOM 3131 C CA . LYS F 3 44 . 43.837 48.902 23.472 1.00 21.38 ? CA LYS B 44 1 -ATOM 3132 C C . LYS F 3 44 . 44.265 48.727 22.008 1.00 27.33 ? C LYS B 44 1 -ATOM 3133 O O . LYS F 3 44 . 43.808 47.789 21.329 1.00 23.27 ? O LYS B 44 1 -ATOM 3134 C CB . LYS F 3 44 . 44.825 48.125 24.338 1.00 25.14 ? CB LYS B 44 1 -ATOM 3135 C CG . LYS F 3 44 . 46.302 48.428 23.980 1.00 26.68 ? CG LYS B 44 1 -ATOM 3136 C CD . LYS F 3 44 . 47.344 47.413 24.540 1.00 38.05 ? CD LYS B 44 1 -ATOM 3137 C CE . LYS F 3 44 . 48.782 47.559 23.908 1.00 28.9 ? CE LYS B 44 1 -ATOM 3138 N NZ . LYS F 3 44 . 48.791 47.436 22.399 1.00 32.56 ? NZ LYS B 44 1 -ATOM 3139 N N . GLY F 3 45 . 45.093 49.643 21.511 1.00 27.69 ? N GLY B 45 1 -ATOM 3140 C CA . GLY F 3 45 . 45.607 49.486 20.163 1.00 28.58 ? CA GLY B 45 1 -ATOM 3141 C C . GLY F 3 45 . 44.734 49.986 19.007 1.00 31.4 ? C GLY B 45 1 -ATOM 3142 O O . GLY F 3 45 . 43.730 50.707 19.200 1.00 26.3 ? O GLY B 45 1 -ATOM 3143 N N . SER F 3 46 . 45.123 49.522 17.808 1.00 25.84 ? N SER B 46 1 -ATOM 3144 C CA . SER F 3 46 . 44.548 49.916 16.525 1.00 23.41 ? CA SER B 46 1 -ATOM 3145 C C . SER F 3 46 . 44.401 48.786 15.488 1.00 23.3 ? C SER B 46 1 -ATOM 3146 O O . SER F 3 46 . 45.203 47.852 15.370 1.00 15.38 ? O SER B 46 1 -ATOM 3147 C CB . SER F 3 46 . 45.411 50.998 15.954 1.00 25.29 ? CB SER B 46 1 -ATOM 3148 O OG . SER F 3 46 . 46.747 50.559 16.103 1.00 30.58 ? OG SER B 46 1 -ATOM 3149 N N . VAL F 3 47 . 43.436 48.972 14.617 1.00 23.91 ? N VAL B 47 1 -ATOM 3150 C CA . VAL F 3 47 . 43.111 47.928 13.707 1.00 18.4 ? CA VAL B 47 1 -ATOM 3151 C C . VAL F 3 47 . 42.934 48.530 12.282 1.00 21.5 ? C VAL B 47 1 -ATOM 3152 O O . VAL F 3 47 . 42.908 49.768 12.099 1.00 12.27 ? O VAL B 47 1 -ATOM 3153 C CB . VAL F 3 47 . 41.877 47.332 14.356 1.00 12.57 ? CB VAL B 47 1 -ATOM 3154 C CG1 . VAL F 3 47 . 40.662 48.133 13.908 1.00 6 ? CG1 VAL B 47 1 -ATOM 3155 C CG2 . VAL F 3 47 . 41.812 45.873 14.090 1.00 11.73 ? CG2 VAL B 47 1 -ATOM 3156 N N . ALA F 3 48 . 42.815 47.689 11.254 1.00 19.58 ? N ALA B 48 1 -ATOM 3157 C CA . ALA F 3 48 . 42.620 48.224 9.889 1.00 18.16 ? CA ALA B 48 1 -ATOM 3158 C C . ALA F 3 48 . 41.416 47.591 9.235 1.00 12.82 ? C ALA B 48 1 -ATOM 3159 O O . ALA F 3 48 . 41.222 46.393 9.357 1.00 18.01 ? O ALA B 48 1 -ATOM 3160 C CB . ALA F 3 48 . 43.837 47.953 9.035 1.00 18.92 ? CB ALA B 48 1 -ATOM 3161 N N . VAL F 3 49 . 40.584 48.406 8.594 1.00 12.15 ? N VAL B 49 1 -ATOM 3162 C CA . VAL F 3 49 . 39.412 47.930 7.854 1.00 13.55 ? CA VAL B 49 1 -ATOM 3163 C C . VAL F 3 49 . 39.791 48.031 6.377 1.00 11.33 ? C VAL B 49 1 -ATOM 3164 O O . VAL F 3 49 . 40.300 49.070 5.937 1.00 13.71 ? O VAL B 49 1 -ATOM 3165 C CB . VAL F 3 49 . 38.162 48.806 8.098 1.00 6 ? CB VAL B 49 1 -ATOM 3166 C CG1 . VAL F 3 49 . 36.940 48.068 7.601 1.00 11.71 ? CG1 VAL B 49 1 -ATOM 3167 C CG2 . VAL F 3 49 . 37.996 49.093 9.569 1.00 6 ? CG2 VAL B 49 1 -ATOM 3168 N N . LEU F 3 50 . 39.586 46.948 5.636 1.00 10.77 ? N LEU B 50 1 -ATOM 3169 C CA . LEU F 3 50 . 39.945 46.858 4.214 1.00 6.94 ? CA LEU B 50 1 -ATOM 3170 C C . LEU F 3 50 . 39.058 45.828 3.537 1.00 11.14 ? C LEU B 50 1 -ATOM 3171 O O . LEU F 3 50 . 38.560 44.909 4.166 1.00 9.61 ? O LEU B 50 1 -ATOM 3172 C CB . LEU F 3 50 . 41.453 46.480 4.074 1.00 6.19 ? CB LEU B 50 1 -ATOM 3173 C CG . LEU F 3 50 . 42.077 45.452 5.035 1.00 6.38 ? CG LEU B 50 1 -ATOM 3174 C CD1 . LEU F 3 50 . 41.565 44.092 4.679 1.00 12.15 ? CD1 LEU B 50 1 -ATOM 3175 C CD2 . LEU F 3 50 . 43.557 45.502 4.971 1.00 6 ? CD2 LEU B 50 1 -ATOM 3176 N N . ILE F 3 51 . 38.791 46.027 2.256 1.00 11.74 ? N ILE B 51 1 -ATOM 3177 C CA . ILE F 3 51 . 37.966 45.095 1.516 1.00 7.46 ? CA ILE B 51 1 -ATOM 3178 C C . ILE F 3 51 . 38.721 44.506 0.358 1.00 12.57 ? C ILE B 51 1 -ATOM 3179 O O . ILE F 3 51 . 39.834 44.945 0.050 1.00 11.22 ? O ILE B 51 1 -ATOM 3180 C CB . ILE F 3 51 . 36.791 45.783 1.017 1.00 13.08 ? CB ILE B 51 1 -ATOM 3181 C CG1 . ILE F 3 51 . 37.187 46.733 -0.105 1.00 18.13 ? CG1 ILE B 51 1 -ATOM 3182 C CG2 . ILE F 3 51 . 36.134 46.418 2.205 1.00 6.59 ? CG2 ILE B 51 1 -ATOM 3183 C CD1 . ILE F 3 51 . 36.053 47.630 -0.512 1.00 15.17 ? CD1 ILE B 51 1 -ATOM 3184 N N . LYS F 3 52 . 38.078 43.546 -0.310 1.00 19.11 ? N LYS B 52 1 -ATOM 3185 C CA . LYS F 3 52 . 38.785 42.744 -1.317 1.00 19.34 ? CA LYS B 52 1 -ATOM 3186 C C . LYS F 3 52 . 37.980 42.220 -2.478 1.00 21.18 ? C LYS B 52 1 -ATOM 3187 O O . LYS F 3 52 . 36.924 41.604 -2.316 1.00 21.23 ? O LYS B 52 1 -ATOM 3188 C CB . LYS F 3 52 . 39.454 41.535 -0.634 1.00 19.36 ? CB LYS B 52 1 -ATOM 3189 C CG . LYS F 3 52 . 40.643 41.901 0.251 1.00 25.77 ? CG LYS B 52 1 -ATOM 3190 C CD . LYS F 3 52 . 41.416 40.680 0.788 1.00 37.87 ? CD LYS B 52 1 -ATOM 3191 C CE . LYS F 3 52 . 42.042 39.749 -0.291 1.00 40.35 ? CE LYS B 52 1 -ATOM 3192 N NZ . LYS F 3 52 . 41.070 38.875 -1.051 1.00 39.02 ? NZ LYS B 52 1 -ATOM 3193 N N . ASP F 3 53 . 38.570 42.455 -3.640 1.00 26.2 ? N ASP B 53 1 -ATOM 3194 C CA . ASP F 3 53 . 38.104 42.053 -4.959 1.00 30.19 ? CA ASP B 53 1 -ATOM 3195 C C . ASP F 3 53 . 38.496 40.589 -5.179 1.00 30.81 ? C ASP B 53 1 -ATOM 3196 O O . ASP F 3 53 . 39.640 40.220 -4.873 1.00 27.23 ? O ASP B 53 1 -ATOM 3197 C CB . ASP F 3 53 . 38.762 42.942 -6.005 1.00 25.68 ? CB ASP B 53 1 -ATOM 3198 C CG . ASP F 3 53 . 38.228 42.693 -7.384 1.00 36.79 ? CG ASP B 53 1 -ATOM 3199 O OD1 . ASP F 3 53 . 37.026 42.975 -7.605 1.00 42.51 ? OD1 ASP B 53 1 -ATOM 3200 O OD2 . ASP F 3 53 . 39.002 42.230 -8.249 1.00 45.65 ? OD2 ASP B 53 1 -ATOM 3201 N N . GLU F 3 54 . 37.597 39.776 -5.756 1.00 33.39 ? N GLU B 54 1 -ATOM 3202 C CA . GLU F 3 54 . 37.875 38.341 -5.909 1.00 27.12 ? CA GLU B 54 1 -ATOM 3203 C C . GLU F 3 54 . 39.200 38.062 -6.520 1.00 23.49 ? C GLU B 54 1 -ATOM 3204 O O . GLU F 3 54 . 39.760 37.039 -6.234 1.00 28.23 ? O GLU B 54 1 -ATOM 3205 C CB . GLU F 3 54 . 36.845 37.643 -6.755 1.00 16.71 ? CB GLU B 54 1 -ATOM 3206 C CG . GLU F 3 54 . 35.473 37.551 -6.065 1.00 29.08 ? CG GLU B 54 1 -ATOM 3207 C CD . GLU F 3 54 . 34.559 38.772 -6.287 1.00 32.03 ? CD GLU B 54 1 -ATOM 3208 O OE1 . GLU F 3 54 . 35.049 39.793 -6.812 1.00 41.53 ? OE1 GLU B 54 1 -ATOM 3209 O OE2 . GLU F 3 54 . 33.345 38.709 -5.948 1.00 40.23 ? OE2 GLU B 54 1 -ATOM 3210 N N . GLU F 3 55 . 39.717 38.944 -7.357 1.00 29.88 ? N GLU B 55 1 -ATOM 3211 C CA . GLU F 3 55 . 41.053 38.716 -7.898 1.00 27.36 ? CA GLU B 55 1 -ATOM 3212 C C . GLU F 3 55 . 42.194 39.327 -6.987 1.00 33.84 ? C GLU B 55 1 -ATOM 3213 O O . GLU F 3 55 . 43.204 39.895 -7.454 1.00 34.61 ? O GLU B 55 1 -ATOM 3214 C CB . GLU F 3 55 . 41.048 39.272 -9.365 1.00 31.87 ? CB GLU B 55 1 -ATOM 3215 C CG . GLU F 3 55 . 40.299 38.286 -10.351 1.00 34.09 ? CG GLU B 55 1 -ATOM 3216 C CD . GLU F 3 55 . 40.226 38.613 -11.906 1.00 22.81 ? CD GLU B 55 1 -ATOM 3217 O OE1 . GLU F 3 55 . 39.095 38.553 -12.481 1.00 11.57 ? OE1 GLU B 55 1 -ATOM 3218 O OE2 . GLU F 3 55 . 41.263 38.889 -12.549 1.00 20.61 ? OE2 GLU B 55 1 -ATOM 3219 N N . GLY F 3 56 . 41.924 39.262 -5.670 1.00 34.34 ? N GLY B 56 1 -ATOM 3220 C CA . GLY F 3 56 . 42.846 39.548 -4.563 1.00 34.74 ? CA GLY B 56 1 -ATOM 3221 C C . GLY F 3 56 . 43.178 41.041 -4.316 1.00 32.65 ? C GLY B 56 1 -ATOM 3222 O O . GLY F 3 56 . 43.756 41.264 -3.217 1.00 32.52 ? O GLY B 56 1 -ATOM 3223 N N . LYS F 3 57 . 42.911 42.066 -5.137 1.00 26.26 ? N LYS B 57 1 -ATOM 3224 C CA . LYS F 3 57 . 43.391 43.403 -4.706 1.00 25.49 ? CA LYS B 57 1 -ATOM 3225 C C . LYS F 3 57 . 42.632 43.931 -3.493 1.00 27.11 ? C LYS B 57 1 -ATOM 3226 O O . LYS F 3 57 . 41.417 43.775 -3.419 1.00 35.63 ? O LYS B 57 1 -ATOM 3227 C CB . LYS F 3 57 . 43.238 44.455 -5.817 1.00 34.4 ? CB LYS B 57 1 -ATOM 3228 C CG . LYS F 3 57 . 44.010 45.775 -5.492 1.00 45.06 ? CG LYS B 57 1 -ATOM 3229 C CD . LYS F 3 57 . 43.682 46.962 -6.443 1.00 49.96 ? CD LYS B 57 1 -ATOM 3230 C CE . LYS F 3 57 . 44.602 48.204 -6.222 1.00 50.3 ? CE LYS B 57 1 -ATOM 3231 N NZ . LYS F 3 57 . 44.754 48.758 -4.816 1.00 53.01 ? NZ LYS B 57 1 -ATOM 3232 N N . GLU F 3 58 . 43.325 44.588 -2.573 1.00 19.02 ? N GLU B 58 1 -ATOM 3233 C CA . GLU F 3 58 . 42.678 45.111 -1.361 1.00 23.13 ? CA GLU B 58 1 -ATOM 3234 C C . GLU F 3 58 . 42.848 46.653 -1.155 1.00 21.01 ? C GLU B 58 1 -ATOM 3235 O O . GLU F 3 58 . 43.859 47.242 -1.523 1.00 27.24 ? O GLU B 58 1 -ATOM 3236 C CB . GLU F 3 58 . 43.229 44.336 -0.119 1.00 19.43 ? CB GLU B 58 1 -ATOM 3237 C CG . GLU F 3 58 . 44.756 44.184 -0.022 1.00 25.1 ? CG GLU B 58 1 -ATOM 3238 C CD . GLU F 3 58 . 45.286 43.756 1.376 1.00 39.64 ? CD GLU B 58 1 -ATOM 3239 O OE1 . GLU F 3 58 . 46.506 43.430 1.495 1.00 27.81 ? OE1 GLU B 58 1 -ATOM 3240 O OE2 . GLU F 3 58 . 44.501 43.765 2.363 1.00 37.17 ? OE2 GLU B 58 1 -ATOM 3241 N N . MET F 3 59 . 41.838 47.291 -0.570 1.00 17.17 ? N MET B 59 1 -ATOM 3242 C CA . MET F 3 59 . 41.868 48.719 -0.284 1.00 22.52 ? CA MET B 59 1 -ATOM 3243 C C . MET F 3 59 . 41.525 49.025 1.176 1.00 19.46 ? C MET B 59 1 -ATOM 3244 O O . MET F 3 59 . 40.489 48.568 1.669 1.00 25.81 ? O MET B 59 1 -ATOM 3245 C CB . MET F 3 59 . 40.865 49.486 -1.148 1.00 18.54 ? CB MET B 59 1 -ATOM 3246 C CG . MET F 3 59 . 40.577 50.888 -0.552 1.00 16.58 ? CG MET B 59 1 -ATOM 3247 S SD . MET F 3 59 . 39.765 51.973 -1.660 1.00 24.4 ? SD MET B 59 1 -ATOM 3248 C CE . MET F 3 59 . 41.098 52.317 -2.718 1.00 12.75 ? CE MET B 59 1 -ATOM 3249 N N . ILE F 3 60 . 42.371 49.780 1.869 1.00 7.29 ? N ILE B 60 1 -ATOM 3250 C CA . ILE F 3 60 . 42.077 50.161 3.238 1.00 6.04 ? CA ILE B 60 1 -ATOM 3251 C C . ILE F 3 60 . 40.940 51.210 3.259 1.00 10.95 ? C ILE B 60 1 -ATOM 3252 O O . ILE F 3 60 . 40.985 52.216 2.551 1.00 11.67 ? O ILE B 60 1 -ATOM 3253 C CB . ILE F 3 60 . 43.300 50.794 3.925 1.00 13.66 ? CB ILE B 60 1 -ATOM 3254 C CG1 . ILE F 3 60 . 44.463 49.826 3.993 1.00 6 ? CG1 ILE B 60 1 -ATOM 3255 C CG2 . ILE F 3 60 . 42.930 51.157 5.355 1.00 21.06 ? CG2 ILE B 60 1 -ATOM 3256 C CD1 . ILE F 3 60 . 45.696 50.496 4.602 1.00 14.81 ? CD1 ILE B 60 1 -ATOM 3257 N N . LEU F 3 61 . 39.905 50.985 4.051 1.00 17.71 ? N LEU B 61 1 -ATOM 3258 C CA . LEU F 3 61 . 38.808 51.955 4.198 1.00 20.92 ? CA LEU B 61 1 -ATOM 3259 C C . LEU F 3 61 . 39.023 52.858 5.400 1.00 19.76 ? C LEU B 61 1 -ATOM 3260 O O . LEU F 3 61 . 38.563 53.996 5.423 1.00 12.83 ? O LEU B 61 1 -ATOM 3261 C CB . LEU F 3 61 . 37.491 51.278 4.426 1.00 12.38 ? CB LEU B 61 1 -ATOM 3262 C CG . LEU F 3 61 . 36.887 50.646 3.219 1.00 16 ? CG LEU B 61 1 -ATOM 3263 C CD1 . LEU F 3 61 . 35.953 49.541 3.630 1.00 14.17 ? CD1 LEU B 61 1 -ATOM 3264 C CD2 . LEU F 3 61 . 36.229 51.734 2.433 1.00 16.33 ? CD2 LEU B 61 1 -ATOM 3265 N N . SER F 3 62 . 39.683 52.334 6.423 1.00 20.82 ? N SER B 62 1 -ATOM 3266 C CA . SER F 3 62 . 39.967 53.177 7.551 1.00 15.96 ? CA SER B 62 1 -ATOM 3267 C C . SER F 3 62 . 40.767 52.466 8.610 1.00 15.64 ? C SER B 62 1 -ATOM 3268 O O . SER F 3 62 . 40.827 51.255 8.707 1.00 21.79 ? O SER B 62 1 -ATOM 3269 C CB . SER F 3 62 . 38.640 53.662 8.133 1.00 13.8 ? CB SER B 62 1 -ATOM 3270 O OG . SER F 3 62 . 38.821 54.279 9.372 1.00 19.6 ? OG SER B 62 1 -ATOM 3271 N N . TYR F 3 63 . 41.300 53.259 9.484 1.00 18.85 ? N TYR B 63 1 -ATOM 3272 C CA . TYR F 3 63 . 42.024 52.806 10.627 1.00 12.36 ? CA TYR B 63 1 -ATOM 3273 C C . TYR F 3 63 . 41.054 53.069 11.788 1.00 16.68 ? C TYR B 63 1 -ATOM 3274 O O . TYR F 3 63 . 40.289 54.038 11.792 1.00 9.24 ? O TYR B 63 1 -ATOM 3275 C CB . TYR F 3 63 . 43.306 53.621 10.773 1.00 15.22 ? CB TYR B 63 1 -ATOM 3276 C CG . TYR F 3 63 . 44.355 53.374 9.706 1.00 13.93 ? CG TYR B 63 1 -ATOM 3277 C CD1 . TYR F 3 63 . 44.484 52.121 9.111 1.00 15.08 ? CD1 TYR B 63 1 -ATOM 3278 C CD2 . TYR F 3 63 . 45.236 54.372 9.312 1.00 7.17 ? CD2 TYR B 63 1 -ATOM 3279 C CE1 . TYR F 3 63 . 45.481 51.858 8.141 1.00 13.67 ? CE1 TYR B 63 1 -ATOM 3280 C CE2 . TYR F 3 63 . 46.240 54.119 8.340 1.00 17.99 ? CE2 TYR B 63 1 -ATOM 3281 C CZ . TYR F 3 63 . 46.348 52.845 7.765 1.00 13.74 ? CZ TYR B 63 1 -ATOM 3282 O OH . TYR F 3 63 . 47.312 52.533 6.845 1.00 15.67 ? OH TYR B 63 1 -ATOM 3283 N N . LEU F 3 64 . 41.028 52.163 12.742 1.00 13.42 ? N LEU B 64 1 -ATOM 3284 C CA . LEU F 3 64 . 40.173 52.321 13.871 1.00 6 ? CA LEU B 64 1 -ATOM 3285 C C . LEU F 3 64 . 41.118 52.302 15.015 1.00 10.53 ? C LEU B 64 1 -ATOM 3286 O O . LEU F 3 64 . 42.287 51.868 14.834 1.00 6 ? O LEU B 64 1 -ATOM 3287 C CB . LEU F 3 64 . 39.209 51.173 13.889 1.00 6 ? CB LEU B 64 1 -ATOM 3288 C CG . LEU F 3 64 . 37.769 51.605 13.688 1.00 9.4 ? CG LEU B 64 1 -ATOM 3289 C CD1 . LEU F 3 64 . 37.715 52.775 12.673 1.00 8.66 ? CD1 LEU B 64 1 -ATOM 3290 C CD2 . LEU F 3 64 . 36.961 50.387 13.297 1.00 11.27 ? CD2 LEU B 64 1 -ATOM 3291 N N . ASN F 3 65 . 40.662 52.750 16.179 1.00 11.14 ? N ASN B 65 1 -ATOM 3292 C CA . ASN F 3 65 . 41.557 52.792 17.334 1.00 12.99 ? CA ASN B 65 1 -ATOM 3293 C C . ASN F 3 65 . 40.805 52.551 18.649 1.00 19.41 ? C ASN B 65 1 -ATOM 3294 O O . ASN F 3 65 . 39.608 52.241 18.679 1.00 21.12 ? O ASN B 65 1 -ATOM 3295 C CB . ASN F 3 65 . 42.266 54.163 17.454 1.00 18.04 ? CB ASN B 65 1 -ATOM 3296 C CG . ASN F 3 65 . 43.116 54.564 16.218 1.00 14.22 ? CG ASN B 65 1 -ATOM 3297 O OD1 . ASN F 3 65 . 43.085 55.713 15.797 1.00 23.86 ? OD1 ASN B 65 1 -ATOM 3298 N ND2 . ASN F 3 65 . 43.876 53.642 15.667 1.00 26.92 ? ND2 ASN B 65 1 -ATOM 3299 N N . GLN F 3 66 . 41.547 52.687 19.738 1.00 19.41 ? N GLN B 66 1 -ATOM 3300 C CA . GLN F 3 66 . 41.035 52.575 21.099 1.00 15.88 ? CA GLN B 66 1 -ATOM 3301 C C . GLN F 3 66 . 39.910 53.540 21.254 1.00 14.7 ? C GLN B 66 1 -ATOM 3302 O O . GLN F 3 66 . 40.063 54.732 20.977 1.00 18.83 ? O GLN B 66 1 -ATOM 3303 C CB . GLN F 3 66 . 42.127 52.923 22.105 1.00 29.78 ? CB GLN B 66 1 -ATOM 3304 C CG . GLN F 3 66 . 41.669 53.195 23.527 1.00 40.62 ? CG GLN B 66 1 -ATOM 3305 C CD . GLN F 3 66 . 42.748 53.916 24.339 1.00 43.47 ? CD GLN B 66 1 -ATOM 3306 O OE1 . GLN F 3 66 . 42.450 54.856 25.083 1.00 42.58 ? OE1 GLN B 66 1 -ATOM 3307 N NE2 . GLN F 3 66 . 44.004 53.494 24.185 1.00 42.99 ? NE2 GLN B 66 1 -ATOM 3308 N N . GLY F 3 67 . 38.780 52.993 21.660 1.00 11.02 ? N GLY B 67 1 -ATOM 3309 C CA . GLY F 3 67 . 37.603 53.792 21.904 1.00 14.29 ? CA GLY B 67 1 -ATOM 3310 C C . GLY F 3 67 . 36.479 53.484 20.960 1.00 14.28 ? C GLY B 67 1 -ATOM 3311 O O . GLY F 3 67 . 35.299 53.633 21.313 1.00 10.03 ? O GLY B 67 1 -ATOM 3312 N N . ASP F 3 68 . 36.848 53.059 19.756 1.00 21.48 ? N ASP B 68 1 -ATOM 3313 C CA . ASP F 3 68 . 35.883 52.767 18.697 1.00 19.79 ? CA ASP B 68 1 -ATOM 3314 C C . ASP F 3 68 . 35.264 51.395 18.795 1.00 16.57 ? C ASP B 68 1 -ATOM 3315 O O . ASP F 3 68 . 35.892 50.481 19.265 1.00 21.37 ? O ASP B 68 1 -ATOM 3316 C CB . ASP F 3 68 . 36.560 52.898 17.338 1.00 21.73 ? CB ASP B 68 1 -ATOM 3317 C CG . ASP F 3 68 . 37.179 54.271 17.116 1.00 15.95 ? CG ASP B 68 1 -ATOM 3318 O OD1 . ASP F 3 68 . 36.657 55.276 17.697 1.00 16.67 ? OD1 ASP B 68 1 -ATOM 3319 O OD2 . ASP F 3 68 . 38.194 54.313 16.370 1.00 8.64 ? OD2 ASP B 68 1 -ATOM 3320 N N . PHE F 3 69 . 34.006 51.279 18.392 1.00 18.99 ? N PHE B 69 1 -ATOM 3321 C CA . PHE F 3 69 . 33.328 50.003 18.322 1.00 17.82 ? CA PHE B 69 1 -ATOM 3322 C C . PHE F 3 69 . 33.670 49.310 17.016 1.00 14.78 ? C PHE B 69 1 -ATOM 3323 O O . PHE F 3 69 . 34.076 49.972 16.079 1.00 19.91 ? O PHE B 69 1 -ATOM 3324 C CB . PHE F 3 69 . 31.865 50.189 18.359 1.00 21.54 ? CB PHE B 69 1 -ATOM 3325 C CG . PHE F 3 69 . 31.352 50.638 19.671 1.00 29.64 ? CG PHE B 69 1 -ATOM 3326 C CD1 . PHE F 3 69 . 31.032 49.705 20.649 1.00 24.31 ? CD1 PHE B 69 1 -ATOM 3327 C CD2 . PHE F 3 69 . 31.111 51.981 19.910 1.00 26.55 ? CD2 PHE B 69 1 -ATOM 3328 C CE1 . PHE F 3 69 . 30.476 50.105 21.827 1.00 24.04 ? CE1 PHE B 69 1 -ATOM 3329 C CE2 . PHE F 3 69 . 30.554 52.381 21.087 1.00 22.61 ? CE2 PHE B 69 1 -ATOM 3330 C CZ . PHE F 3 69 . 30.237 51.439 22.042 1.00 27.87 ? CZ PHE B 69 1 -ATOM 3331 N N . ILE F 3 70 . 33.499 47.992 16.947 1.00 19.16 ? N ILE B 70 1 -ATOM 3332 C CA . ILE F 3 70 . 33.810 47.256 15.708 1.00 22.22 ? CA ILE B 70 1 -ATOM 3333 C C . ILE F 3 70 . 32.724 46.253 15.325 1.00 17.94 ? C ILE B 70 1 -ATOM 3334 O O . ILE F 3 70 . 32.239 45.547 16.160 1.00 18.74 ? O ILE B 70 1 -ATOM 3335 C CB . ILE F 3 70 . 35.102 46.405 15.792 1.00 19.54 ? CB ILE B 70 1 -ATOM 3336 C CG1 . ILE F 3 70 . 36.309 47.236 16.163 1.00 21.44 ? CG1 ILE B 70 1 -ATOM 3337 C CG2 . ILE F 3 70 . 35.435 45.881 14.435 1.00 22.71 ? CG2 ILE B 70 1 -ATOM 3338 C CD1 . ILE F 3 70 . 37.578 46.374 16.210 1.00 17.03 ? CD1 ILE B 70 1 -ATOM 3339 N N . GLY F 3 71 . 32.335 46.173 14.069 1.00 15.7 ? N GLY B 71 1 -ATOM 3340 C CA . GLY F 3 71 . 31.372 45.153 13.719 1.00 12.9 ? CA GLY B 71 1 -ATOM 3341 C C . GLY F 3 71 . 29.995 45.481 14.195 1.00 15.55 ? C GLY B 71 1 -ATOM 3342 O O . GLY F 3 71 . 29.247 44.609 14.638 1.00 9.66 ? O GLY B 71 1 -ATOM 3343 N N . GLU F 3 72 . 29.643 46.753 14.061 1.00 13.06 ? N GLU B 72 1 -ATOM 3344 C CA . GLU F 3 72 . 28.350 47.204 14.506 1.00 9.98 ? CA GLU B 72 1 -ATOM 3345 C C . GLU F 3 72 . 27.288 47.121 13.467 1.00 6.3 ? C GLU B 72 1 -ATOM 3346 O O . GLU F 3 72 . 26.118 47.115 13.811 1.00 16.7 ? O GLU B 72 1 -ATOM 3347 C CB . GLU F 3 72 . 28.465 48.640 15.004 1.00 6.29 ? CB GLU B 72 1 -ATOM 3348 C CG . GLU F 3 72 . 29.806 49.291 14.717 1.00 6 ? CG GLU B 72 1 -ATOM 3349 C CD . GLU F 3 72 . 29.892 49.878 13.370 1.00 6 ? CD GLU B 72 1 -ATOM 3350 O OE1 . GLU F 3 72 . 30.948 49.814 12.732 1.00 6.8 ? OE1 GLU B 72 1 -ATOM 3351 O OE2 . GLU F 3 72 . 28.878 50.440 12.944 1.00 14.92 ? OE2 GLU B 72 1 -ATOM 3352 N N . LEU F 3 73 . 27.671 47.043 12.199 1.00 8.8 ? N LEU B 73 1 -ATOM 3353 C CA . LEU F 3 73 . 26.651 47.057 11.138 1.00 16.62 ? CA LEU B 73 1 -ATOM 3354 C C . LEU F 3 73 . 25.834 45.782 11.069 1.00 17.15 ? C LEU B 73 1 -ATOM 3355 O O . LEU F 3 73 . 24.689 45.783 10.573 1.00 25.19 ? O LEU B 73 1 -ATOM 3356 C CB . LEU F 3 73 . 27.292 47.302 9.757 1.00 14.65 ? CB LEU B 73 1 -ATOM 3357 C CG . LEU F 3 73 . 28.151 48.538 9.421 1.00 7.34 ? CG LEU B 73 1 -ATOM 3358 C CD1 . LEU F 3 73 . 27.485 49.810 9.909 1.00 6 ? CD1 LEU B 73 1 -ATOM 3359 C CD2 . LEU F 3 73 . 29.473 48.393 10.076 1.00 13.59 ? CD2 LEU B 73 1 -ATOM 3360 N N . GLY F 3 74 . 26.418 44.701 11.577 1.00 16.35 ? N GLY B 74 1 -ATOM 3361 C CA . GLY F 3 74 . 25.738 43.418 11.601 1.00 10.26 ? CA GLY B 74 1 -ATOM 3362 C C . GLY F 3 74 . 24.648 43.451 12.624 1.00 11.49 ? C GLY B 74 1 -ATOM 3363 O O . GLY F 3 74 . 23.621 42.826 12.444 1.00 17.33 ? O GLY B 74 1 -ATOM 3364 N N . LEU F 3 75 . 24.875 44.229 13.674 1.00 14.11 ? N LEU B 75 1 -ATOM 3365 C CA . LEU F 3 75 . 23.956 44.353 14.793 1.00 17.74 ? CA LEU B 75 1 -ATOM 3366 C C . LEU F 3 75 . 22.532 44.743 14.481 1.00 17.87 ? C LEU B 75 1 -ATOM 3367 O O . LEU F 3 75 . 21.652 44.306 15.211 1.00 16.33 ? O LEU B 75 1 -ATOM 3368 C CB . LEU F 3 75 . 24.467 45.374 15.804 1.00 21.9 ? CB LEU B 75 1 -ATOM 3369 C CG . LEU F 3 75 . 23.364 45.873 16.760 1.00 27.58 ? CG LEU B 75 1 -ATOM 3370 C CD1 . LEU F 3 75 . 23.023 44.804 17.822 1.00 30.23 ? CD1 LEU B 75 1 -ATOM 3371 C CD2 . LEU F 3 75 . 23.851 47.115 17.446 1.00 24.21 ? CD2 LEU B 75 1 -ATOM 3372 N N . PHE F 3 76 . 22.272 45.521 13.427 1.00 23.44 ? N PHE B 76 1 -ATOM 3373 C CA . PHE F 3 76 . 20.908 46.065 13.230 1.00 26.31 ? CA PHE B 76 1 -ATOM 3374 C C . PHE F 3 76 . 19.887 45.271 12.385 1.00 29.24 ? C PHE B 76 1 -ATOM 3375 O O . PHE F 3 76 . 18.776 45.758 12.248 1.00 20.81 ? O PHE B 76 1 -ATOM 3376 C CB . PHE F 3 76 . 21.059 47.504 12.686 1.00 18.51 ? CB PHE B 76 1 -ATOM 3377 C CG . PHE F 3 76 . 21.648 48.459 13.718 1.00 14.62 ? CG PHE B 76 1 -ATOM 3378 C CD1 . PHE F 3 76 . 20.827 49.156 14.593 1.00 20.69 ? CD1 PHE B 76 1 -ATOM 3379 C CD2 . PHE F 3 76 . 23.022 48.612 13.871 1.00 17.96 ? CD2 PHE B 76 1 -ATOM 3380 C CE1 . PHE F 3 76 . 21.347 49.977 15.599 1.00 9.37 ? CE1 PHE B 76 1 -ATOM 3381 C CE2 . PHE F 3 76 . 23.531 49.425 14.871 1.00 16.67 ? CE2 PHE B 76 1 -ATOM 3382 C CZ . PHE F 3 76 . 22.685 50.103 15.732 1.00 15.64 ? CZ PHE B 76 1 -ATOM 3383 N N . GLU F 3 77 . 20.173 44.074 11.868 1.00 36.81 ? N GLU B 77 1 -ATOM 3384 C CA . GLU F 3 77 . 19.156 43.307 11.109 1.00 39.12 ? CA GLU B 77 1 -ATOM 3385 C C . GLU F 3 77 . 19.249 41.774 11.235 1.00 44.95 ? C GLU B 77 1 -ATOM 3386 O O . GLU F 3 77 . 18.221 41.088 11.202 1.00 45.76 ? O GLU B 77 1 -ATOM 3387 C CB . GLU F 3 77 . 19.208 43.612 9.612 1.00 48.64 ? CB GLU B 77 1 -ATOM 3388 C CG . GLU F 3 77 . 18.552 44.908 9.138 1.00 52.08 ? CG GLU B 77 1 -ATOM 3389 C CD . GLU F 3 77 . 18.171 44.831 7.671 1.00 54.09 ? CD GLU B 77 1 -ATOM 3390 O OE1 . GLU F 3 77 . 18.175 43.704 7.134 1.00 51.05 ? OE1 GLU B 77 1 -ATOM 3391 O OE2 . GLU F 3 77 . 17.857 45.877 7.054 1.00 55 ? OE2 GLU B 77 1 -ATOM 3392 N N . GLU F 3 78 . 20.466 41.241 11.354 1.00 50.83 ? N GLU B 78 1 -ATOM 3393 C CA . GLU F 3 78 . 20.731 39.790 11.461 1.00 52.94 ? CA GLU B 78 1 -ATOM 3394 C C . GLU F 3 78 . 20.285 38.940 10.262 1.00 51.17 ? C GLU B 78 1 -ATOM 3395 O O . GLU F 3 78 . 19.262 39.167 9.591 1.00 50.16 ? O GLU B 78 1 -ATOM 3396 C CB . GLU F 3 78 . 20.077 39.189 12.722 1.00 54.64 ? CB GLU B 78 1 -ATOM 3397 C CG . GLU F 3 78 . 21.044 39.015 13.916 1.00 55 ? CG GLU B 78 1 -ATOM 3398 C CD . GLU F 3 78 . 22.232 38.065 13.635 1.00 55 ? CD GLU B 78 1 -ATOM 3399 O OE1 . GLU F 3 78 . 22.070 36.827 13.770 1.00 55 ? OE1 GLU B 78 1 -ATOM 3400 O OE2 . GLU F 3 78 . 23.330 38.561 13.283 1.00 55 ? OE2 GLU B 78 1 -ATOM 3401 N N . GLY F 3 79 . 21.100 37.907 10.074 1.00 45.38 ? N GLY B 79 1 -ATOM 3402 C CA . GLY F 3 79 . 20.997 36.985 8.969 1.00 40.99 ? CA GLY B 79 1 -ATOM 3403 C C . GLY F 3 79 . 22.317 37.202 8.265 1.00 42.94 ? C GLY B 79 1 -ATOM 3404 O O . GLY F 3 79 . 23.042 36.249 7.951 1.00 49.32 ? O GLY B 79 1 -ATOM 3405 N N . GLN F 3 80 . 22.630 38.501 8.117 1.00 37.62 ? N GLN B 80 1 -ATOM 3406 C CA . GLN F 3 80 . 23.809 39.075 7.439 1.00 31.92 ? CA GLN B 80 1 -ATOM 3407 C C . GLN F 3 80 . 25.230 38.745 7.967 1.00 30.12 ? C GLN B 80 1 -ATOM 3408 O O . GLN F 3 80 . 25.429 38.091 9.007 1.00 32.62 ? O GLN B 80 1 -ATOM 3409 C CB . GLN F 3 80 . 23.641 40.608 7.392 1.00 33.45 ? CB GLN B 80 1 -ATOM 3410 C CG . GLN F 3 80 . 23.357 41.336 8.725 1.00 31.32 ? CG GLN B 80 1 -ATOM 3411 C CD . GLN F 3 80 . 23.089 42.804 8.480 1.00 29.75 ? CD GLN B 80 1 -ATOM 3412 O OE1 . GLN F 3 80 . 23.831 43.469 7.764 1.00 35.74 ? OE1 GLN B 80 1 -ATOM 3413 N NE2 . GLN F 3 80 . 22.016 43.312 9.052 1.00 27.54 ? NE2 GLN B 80 1 -ATOM 3414 N N . GLU F 3 81 . 26.213 39.250 7.217 1.00 24 ? N GLU B 81 1 -ATOM 3415 C CA . GLU F 3 81 . 27.633 39.014 7.458 1.00 22.61 ? CA GLU B 81 1 -ATOM 3416 C C . GLU F 3 81 . 28.568 40.252 7.533 1.00 21.19 ? C GLU B 81 1 -ATOM 3417 O O . GLU F 3 81 . 28.246 41.355 7.136 1.00 27.65 ? O GLU B 81 1 -ATOM 3418 C CB . GLU F 3 81 . 28.112 38.029 6.369 1.00 32.49 ? CB GLU B 81 1 -ATOM 3419 C CG . GLU F 3 81 . 27.521 38.217 4.937 1.00 43.6 ? CG GLU B 81 1 -ATOM 3420 C CD . GLU F 3 81 . 27.644 36.960 4.024 1.00 49.63 ? CD GLU B 81 1 -ATOM 3421 O OE1 . GLU F 3 81 . 28.283 37.044 2.934 1.00 51.23 ? OE1 GLU B 81 1 -ATOM 3422 O OE2 . GLU F 3 81 . 27.082 35.893 4.402 1.00 45.25 ? OE2 GLU B 81 1 -ATOM 3423 N N . ARG F 3 82 . 29.741 40.036 8.098 1.00 18.77 ? N ARG B 82 1 -ATOM 3424 C CA . ARG F 3 82 . 30.745 41.051 8.269 1.00 20.6 ? CA ARG B 82 1 -ATOM 3425 C C . ARG F 3 82 . 30.862 41.707 6.932 1.00 20.92 ? C ARG B 82 1 -ATOM 3426 O O . ARG F 3 82 . 31.053 41.004 5.944 1.00 27.79 ? O ARG B 82 1 -ATOM 3427 C CB . ARG F 3 82 . 32.057 40.406 8.637 1.00 16.57 ? CB ARG B 82 1 -ATOM 3428 C CG . ARG F 3 82 . 31.906 39.311 9.680 1.00 23.83 ? CG ARG B 82 1 -ATOM 3429 C CD . ARG F 3 82 . 31.890 39.738 11.121 1.00 22.31 ? CD ARG B 82 1 -ATOM 3430 N NE . ARG F 3 82 . 30.875 40.691 11.544 1.00 17.44 ? NE ARG B 82 1 -ATOM 3431 C CZ . ARG F 3 82 . 30.657 40.952 12.833 1.00 21.56 ? CZ ARG B 82 1 -ATOM 3432 N NH1 . ARG F 3 82 . 31.364 40.336 13.788 1.00 21.77 ? NH1 ARG B 82 1 -ATOM 3433 N NH2 . ARG F 3 82 . 29.746 41.829 13.185 1.00 9.9 ? NH2 ARG B 82 1 -ATOM 3434 N N . SER F 3 83 . 30.751 43.033 6.900 1.00 29.02 ? N SER B 83 1 -ATOM 3435 C CA . SER F 3 83 . 30.806 43.834 5.654 1.00 19.08 ? CA SER B 83 1 -ATOM 3436 C C . SER F 3 83 . 32.229 44.037 5.112 1.00 12.88 ? C SER B 83 1 -ATOM 3437 O O . SER F 3 83 . 32.389 44.177 3.899 1.00 6 ? O SER B 83 1 -ATOM 3438 C CB . SER F 3 83 . 30.191 45.242 5.871 1.00 6 ? CB SER B 83 1 -ATOM 3439 O OG . SER F 3 83 . 31.173 46.099 6.454 1.00 6.95 ? OG SER B 83 1 -ATOM 3440 N N . ALA F 3 84 . 33.231 44.059 6.001 1.00 6.77 ? N ALA B 84 1 -ATOM 3441 C CA . ALA F 3 84 . 34.635 44.348 5.639 1.00 6 ? CA ALA B 84 1 -ATOM 3442 C C . ALA F 3 84 . 35.613 43.398 6.270 1.00 6 ? C ALA B 84 1 -ATOM 3443 O O . ALA F 3 84 . 35.260 42.407 6.800 1.00 7.62 ? O ALA B 84 1 -ATOM 3444 C CB . ALA F 3 84 . 34.998 45.770 6.074 1.00 7.89 ? CB ALA B 84 1 -ATOM 3445 N N . TRP F 3 85 . 36.876 43.705 6.195 1.00 6 ? N TRP B 85 1 -ATOM 3446 C CA . TRP F 3 85 . 37.862 42.896 6.861 1.00 6 ? CA TRP B 85 1 -ATOM 3447 C C . TRP F 3 85 . 38.463 43.731 8.020 1.00 10.46 ? C TRP B 85 1 -ATOM 3448 O O . TRP F 3 85 . 38.644 44.935 7.870 1.00 23.59 ? O TRP B 85 1 -ATOM 3449 C CB . TRP F 3 85 . 38.928 42.554 5.895 1.00 7.07 ? CB TRP B 85 1 -ATOM 3450 C CG . TRP F 3 85 . 39.386 41.157 5.945 1.00 24.14 ? CG TRP B 85 1 -ATOM 3451 C CD1 . TRP F 3 85 . 40.187 40.593 6.875 1.00 32.33 ? CD1 TRP B 85 1 -ATOM 3452 C CD2 . TRP F 3 85 . 39.087 40.142 4.986 1.00 29.73 ? CD2 TRP B 85 1 -ATOM 3453 N NE1 . TRP F 3 85 . 40.418 39.269 6.565 1.00 33.73 ? NE1 TRP B 85 1 -ATOM 3454 C CE2 . TRP F 3 85 . 39.747 38.963 5.412 1.00 37.12 ? CE2 TRP B 85 1 -ATOM 3455 C CE3 . TRP F 3 85 . 38.320 40.114 3.814 1.00 24.54 ? CE3 TRP B 85 1 -ATOM 3456 C CZ2 . TRP F 3 85 . 39.671 37.761 4.704 1.00 37.7 ? CZ2 TRP B 85 1 -ATOM 3457 C CZ3 . TRP F 3 85 . 38.236 38.939 3.116 1.00 34.03 ? CZ3 TRP B 85 1 -ATOM 3458 C CH2 . TRP F 3 85 . 38.914 37.769 3.561 1.00 36.54 ? CH2 TRP B 85 1 -ATOM 3459 N N . VAL F 3 86 . 38.770 43.133 9.171 1.00 16.12 ? N VAL B 86 1 -ATOM 3460 C CA . VAL F 3 86 . 39.413 43.898 10.244 1.00 12.63 ? CA VAL B 86 1 -ATOM 3461 C C . VAL F 3 86 . 40.687 43.177 10.754 1.00 14.66 ? C VAL B 86 1 -ATOM 3462 O O . VAL F 3 86 . 40.550 42.220 11.482 1.00 17.35 ? O VAL B 86 1 -ATOM 3463 C CB . VAL F 3 86 . 38.485 44.080 11.462 1.00 7.66 ? CB VAL B 86 1 -ATOM 3464 C CG1 . VAL F 3 86 . 39.137 45.006 12.419 1.00 6 ? CG1 VAL B 86 1 -ATOM 3465 C CG2 . VAL F 3 86 . 37.178 44.615 11.065 1.00 6 ? CG2 VAL B 86 1 -ATOM 3466 N N . ARG F 3 87 . 41.887 43.616 10.364 1.00 6.92 ? N ARG B 87 1 -ATOM 3467 C CA . ARG F 3 87 . 43.162 43.049 10.788 1.00 6 ? CA ARG B 87 1 -ATOM 3468 C C . ARG F 3 87 . 43.720 43.908 11.893 1.00 17.11 ? C ARG B 87 1 -ATOM 3469 O O . ARG F 3 87 . 43.380 45.089 12.018 1.00 33.23 ? O ARG B 87 1 -ATOM 3470 C CB . ARG F 3 87 . 44.243 43.046 9.714 1.00 16.01 ? CB ARG B 87 1 -ATOM 3471 C CG . ARG F 3 87 . 43.895 42.297 8.455 1.00 37.49 ? CG ARG B 87 1 -ATOM 3472 C CD . ARG F 3 87 . 45.080 42.197 7.480 1.00 49.03 ? CD ARG B 87 1 -ATOM 3473 N NE . ARG F 3 87 . 44.744 41.681 6.136 1.00 55 ? NE ARG B 87 1 -ATOM 3474 C CZ . ARG F 3 87 . 43.799 40.784 5.827 1.00 50.58 ? CZ ARG B 87 1 -ATOM 3475 N NH1 . ARG F 3 87 . 43.028 40.251 6.777 1.00 42.5 ? NH1 ARG B 87 1 -ATOM 3476 N NH2 . ARG F 3 87 . 43.641 40.410 4.547 1.00 43.58 ? NH2 ARG B 87 1 -ATOM 3477 N N . ALA F 3 88 . 44.626 43.316 12.666 1.00 26.11 ? N ALA B 88 1 -ATOM 3478 C CA . ALA F 3 88 . 45.247 43.954 13.798 1.00 20.18 ? CA ALA B 88 1 -ATOM 3479 C C . ALA F 3 88 . 46.468 44.676 13.343 1.00 16.68 ? C ALA B 88 1 -ATOM 3480 O O . ALA F 3 88 . 47.427 44.031 12.974 1.00 9.84 ? O ALA B 88 1 -ATOM 3481 C CB . ALA F 3 88 . 45.604 42.906 14.804 1.00 12.5 ? CB ALA B 88 1 -ATOM 3482 N N . LYS F 3 89 . 46.452 46.003 13.357 1.00 16.04 ? N LYS B 89 1 -ATOM 3483 C CA . LYS F 3 89 . 47.628 46.791 12.938 1.00 17.4 ? CA LYS B 89 1 -ATOM 3484 C C . LYS F 3 89 . 48.736 46.569 13.968 1.00 20.68 ? C LYS B 89 1 -ATOM 3485 O O . LYS F 3 89 . 49.912 46.681 13.658 1.00 28.02 ? O LYS B 89 1 -ATOM 3486 C CB . LYS F 3 89 . 47.282 48.291 12.880 1.00 20.11 ? CB LYS B 89 1 -ATOM 3487 C CG . LYS F 3 89 . 47.987 49.149 11.791 1.00 21.48 ? CG LYS B 89 1 -ATOM 3488 C CD . LYS F 3 89 . 47.782 50.655 12.018 1.00 13.64 ? CD LYS B 89 1 -ATOM 3489 C CE . LYS F 3 89 . 46.440 50.993 12.682 1.00 21.46 ? CE LYS B 89 1 -ATOM 3490 N NZ . LYS F 3 89 . 45.174 50.561 12.029 1.00 19.98 ? NZ LYS B 89 1 -ATOM 3491 N N . THR F 3 90 . 48.322 46.262 15.198 1.00 29.6 ? N THR B 90 1 -ATOM 3492 C CA . THR F 3 90 . 49.186 45.987 16.366 1.00 30.38 ? CA THR B 90 1 -ATOM 3493 C C . THR F 3 90 . 48.403 45.244 17.506 1.00 30.23 ? C THR B 90 1 -ATOM 3494 O O . THR F 3 90 . 47.251 44.791 17.308 1.00 28.51 ? O THR B 90 1 -ATOM 3495 C CB . THR F 3 90 . 49.770 47.326 16.928 1.00 35.36 ? CB THR B 90 1 -ATOM 3496 O OG1 . THR F 3 90 . 48.716 48.292 17.067 1.00 33.67 ? OG1 THR B 90 1 -ATOM 3497 C CG2 . THR F 3 90 . 50.849 47.885 15.990 1.00 37.99 ? CG2 THR B 90 1 -ATOM 3498 N N . ALA F 3 91 . 49.003 45.109 18.689 1.00 19.33 ? N ALA B 91 1 -ATOM 3499 C CA . ALA F 3 91 . 48.317 44.408 19.764 1.00 12.4 ? CA ALA B 91 1 -ATOM 3500 C C . ALA F 3 91 . 47.097 45.133 20.262 1.00 13.58 ? C ALA B 91 1 -ATOM 3501 O O . ALA F 3 91 . 47.061 46.351 20.409 1.00 20.36 ? O ALA B 91 1 -ATOM 3502 C CB . ALA F 3 91 . 49.257 44.185 20.909 1.00 22.11 ? CB ALA B 91 1 -ATOM 3503 N N . CYS F 3 92 . 46.109 44.341 20.632 1.00 15.53 ? N CYS B 92 1 -ATOM 3504 C CA . CYS F 3 92 . 44.858 44.917 21.019 1.00 17.95 ? CA CYS B 92 1 -ATOM 3505 C C . CYS F 3 92 . 44.111 44.123 22.055 1.00 23.53 ? C CYS B 92 1 -ATOM 3506 O O . CYS F 3 92 . 44.165 42.919 22.105 1.00 26.59 ? O CYS B 92 1 -ATOM 3507 C CB . CYS F 3 92 . 43.913 45.049 19.806 1.00 24.64 ? CB CYS B 92 1 -ATOM 3508 S SG . CYS F 3 92 . 44.491 45.838 18.270 1.00 30.34 ? SG CYS B 92 1 -ATOM 3509 N N . GLU F 3 93 . 43.400 44.823 22.902 1.00 22.27 ? N GLU B 93 1 -ATOM 3510 C CA . GLU F 3 93 . 42.520 44.157 23.799 1.00 24.3 ? CA GLU B 93 1 -ATOM 3511 C C . GLU F 3 93 . 41.149 44.479 23.416 1.00 23.89 ? C GLU B 93 1 -ATOM 3512 O O . GLU F 3 93 . 40.797 45.641 23.353 1.00 23.65 ? O GLU B 93 1 -ATOM 3513 C CB . GLU F 3 93 . 42.816 44.560 25.282 1.00 35.19 ? CB GLU B 93 1 -ATOM 3514 C CG . GLU F 3 93 . 43.674 43.553 26.126 1.00 27.78 ? CG GLU B 93 1 -ATOM 3515 C CD . GLU F 3 93 . 44.121 44.067 27.531 1.00 39.91 ? CD GLU B 93 1 -ATOM 3516 O OE1 . GLU F 3 93 . 45.333 44.380 27.696 1.00 33.18 ? OE1 GLU B 93 1 -ATOM 3517 O OE2 . GLU F 3 93 . 43.273 44.161 28.461 1.00 40.19 ? OE2 GLU B 93 1 -ATOM 3518 N N . VAL F 3 94 . 40.409 43.438 23.128 1.00 20.98 ? N VAL B 94 1 -ATOM 3519 C CA . VAL F 3 94 . 39.140 43.615 22.515 1.00 21.41 ? CA VAL B 94 1 -ATOM 3520 C C . VAL F 3 94 . 38.048 43.008 23.314 1.00 22.8 ? C VAL B 94 1 -ATOM 3521 O O . VAL F 3 94 . 37.997 41.784 23.484 1.00 22.76 ? O VAL B 94 1 -ATOM 3522 C CB . VAL F 3 94 . 39.199 42.997 21.107 1.00 15.89 ? CB VAL B 94 1 -ATOM 3523 C CG1 . VAL F 3 94 . 37.970 43.353 20.344 1.00 18.97 ? CG1 VAL B 94 1 -ATOM 3524 C CG2 . VAL F 3 94 . 40.448 43.490 20.400 1.00 15.61 ? CG2 VAL B 94 1 -ATOM 3525 N N . ALA F 3 95 . 37.167 43.864 23.809 1.00 18.25 ? N ALA B 95 1 -ATOM 3526 C CA . ALA F 3 95 . 36.067 43.364 24.597 1.00 18.99 ? CA ALA B 95 1 -ATOM 3527 C C . ALA F 3 95 . 35.115 42.864 23.560 1.00 17.66 ? C ALA B 95 1 -ATOM 3528 O O . ALA F 3 95 . 34.971 43.573 22.567 1.00 8.82 ? O ALA B 95 1 -ATOM 3529 C CB . ALA F 3 95 . 35.441 44.497 25.437 1.00 21.84 ? CB ALA B 95 1 -ATOM 3530 N N . GLU F 3 96 . 34.514 41.679 23.789 1.00 13.83 ? N GLU B 96 1 -ATOM 3531 C CA . GLU F 3 96 . 33.592 41.030 22.862 1.00 11.93 ? CA GLU B 96 1 -ATOM 3532 C C . GLU F 3 96 . 32.340 40.664 23.612 1.00 14.51 ? C GLU B 96 1 -ATOM 3533 O O . GLU F 3 96 . 32.428 40.087 24.683 1.00 32.79 ? O GLU B 96 1 -ATOM 3534 C CB . GLU F 3 96 . 34.254 39.766 22.265 1.00 20.4 ? CB GLU B 96 1 -ATOM 3535 C CG . GLU F 3 96 . 33.574 39.273 20.935 1.00 28.95 ? CG GLU B 96 1 -ATOM 3536 C CD . GLU F 3 96 . 34.422 38.319 20.052 1.00 35.8 ? CD GLU B 96 1 -ATOM 3537 O OE1 . GLU F 3 96 . 35.673 38.240 20.153 1.00 26.69 ? OE1 GLU B 96 1 -ATOM 3538 O OE2 . GLU F 3 96 . 33.818 37.634 19.215 1.00 40.51 ? OE2 GLU B 96 1 -ATOM 3539 N N . ILE F 3 97 . 31.188 41.012 23.039 1.00 27.77 ? N ILE B 97 1 -ATOM 3540 C CA . ILE F 3 97 . 29.834 40.816 23.603 1.00 25.08 ? CA ILE B 97 1 -ATOM 3541 C C . ILE F 3 97 . 29.009 40.262 22.458 1.00 30.78 ? C ILE B 97 1 -ATOM 3542 O O . ILE F 3 97 . 29.191 40.726 21.325 1.00 31.49 ? O ILE B 97 1 -ATOM 3543 C CB . ILE F 3 97 . 29.055 42.101 23.952 1.00 21.23 ? CB ILE B 97 1 -ATOM 3544 C CG1 . ILE F 3 97 . 30.038 43.172 24.341 1.00 26.71 ? CG1 ILE B 97 1 -ATOM 3545 C CG2 . ILE F 3 97 . 28.044 41.845 25.067 1.00 11.21 ? CG2 ILE B 97 1 -ATOM 3546 C CD1 . ILE F 3 97 . 29.385 44.524 24.558 1.00 35.75 ? CD1 ILE B 97 1 -ATOM 3547 N N . SER F 3 98 . 28.094 39.328 22.711 1.00 26.24 ? N SER B 98 1 -ATOM 3548 C CA . SER F 3 98 . 27.290 38.872 21.596 1.00 21.67 ? CA SER B 98 1 -ATOM 3549 C C . SER F 3 98 . 26.376 40.022 21.281 1.00 25.28 ? C SER B 98 1 -ATOM 3550 O O . SER F 3 98 . 26.097 40.903 22.118 1.00 21.48 ? O SER B 98 1 -ATOM 3551 C CB . SER F 3 98 . 26.394 37.638 21.928 1.00 22.74 ? CB SER B 98 1 -ATOM 3552 O OG . SER F 3 98 . 25.116 37.952 22.500 1.00 14.02 ? OG SER B 98 1 -ATOM 3553 N N . TYR F 3 99 . 25.888 40.018 20.065 1.00 34.58 ? N TYR B 99 1 -ATOM 3554 C CA . TYR F 3 99 . 24.922 41.017 19.717 1.00 34.34 ? CA TYR B 99 1 -ATOM 3555 C C . TYR F 3 99 . 23.836 40.998 20.792 1.00 36.42 ? C TYR B 99 1 -ATOM 3556 O O . TYR F 3 99 . 23.600 42.001 21.489 1.00 22.23 ? O TYR B 99 1 -ATOM 3557 C CB . TYR F 3 99 . 24.379 40.672 18.338 1.00 24.78 ? CB TYR B 99 1 -ATOM 3558 C CG . TYR F 3 99 . 25.244 41.217 17.212 1.00 24.92 ? CG TYR B 99 1 -ATOM 3559 C CD1 . TYR F 3 99 . 26.309 42.092 17.472 1.00 22.72 ? CD1 TYR B 99 1 -ATOM 3560 C CD2 . TYR F 3 99 . 24.941 40.932 15.890 1.00 17.99 ? CD2 TYR B 99 1 -ATOM 3561 C CE1 . TYR F 3 99 . 27.018 42.660 16.435 1.00 20.29 ? CE1 TYR B 99 1 -ATOM 3562 C CE2 . TYR F 3 99 . 25.648 41.500 14.863 1.00 19.77 ? CE2 TYR B 99 1 -ATOM 3563 C CZ . TYR F 3 99 . 26.680 42.368 15.136 1.00 17.87 ? CZ TYR B 99 1 -ATOM 3564 O OH . TYR F 3 99 . 27.328 42.983 14.086 1.00 17.59 ? OH TYR B 99 1 -ATOM 3565 N N . LYS F 3 100 . 23.298 39.789 20.971 1.00 41.39 ? N LYS B 100 1 -ATOM 3566 C CA . LYS F 3 100 . 22.216 39.479 21.898 1.00 45.09 ? CA LYS B 100 1 -ATOM 3567 C C . LYS F 3 100 . 22.383 40.037 23.298 1.00 45.22 ? C LYS B 100 1 -ATOM 3568 O O . LYS F 3 100 . 21.424 40.633 23.821 1.00 45.43 ? O LYS B 100 1 -ATOM 3569 C CB . LYS F 3 100 . 22.038 37.963 21.978 1.00 52.1 ? CB LYS B 100 1 -ATOM 3570 C CG . LYS F 3 100 . 21.205 37.410 20.826 1.00 55 ? CG LYS B 100 1 -ATOM 3571 C CD . LYS F 3 100 . 21.606 35.999 20.449 1.00 46.03 ? CD LYS B 100 1 -ATOM 3572 C CE . LYS F 3 100 . 23.085 36.019 20.072 1.00 55 ? CE LYS B 100 1 -ATOM 3573 N NZ . LYS F 3 100 . 23.471 37.245 19.279 1.00 43.44 ? NZ LYS B 100 1 -ATOM 3574 N N . LYS F 3 101 . 23.517 39.878 23.970 1.00 38.98 ? N LYS B 101 1 -ATOM 3575 C CA . LYS F 3 101 . 23.527 40.494 25.269 1.00 43.3 ? CA LYS B 101 1 -ATOM 3576 C C . LYS F 3 101 . 23.475 42.005 25.053 1.00 43.04 ? C LYS B 101 1 -ATOM 3577 O O . LYS F 3 101 . 22.738 42.702 25.760 1.00 39.45 ? O LYS B 101 1 -ATOM 3578 C CB . LYS F 3 101 . 24.778 40.128 26.076 1.00 47.21 ? CB LYS B 101 1 -ATOM 3579 C CG . LYS F 3 101 . 24.420 39.340 27.371 1.00 49.39 ? CG LYS B 101 1 -ATOM 3580 C CD . LYS F 3 101 . 23.393 40.084 28.264 1.00 55 ? CD LYS B 101 1 -ATOM 3581 C CE . LYS F 3 101 . 22.842 39.294 29.487 1.00 47.16 ? CE LYS B 101 1 -ATOM 3582 N NZ . LYS F 3 101 . 23.739 39.142 30.656 1.00 42.69 ? NZ LYS B 101 1 -ATOM 3583 N N . PHE F 3 102 . 24.178 42.516 24.041 1.00 41.4 ? N PHE B 102 1 -ATOM 3584 C CA . PHE F 3 102 . 24.165 43.961 23.816 1.00 37.49 ? CA PHE B 102 1 -ATOM 3585 C C . PHE F 3 102 . 22.785 44.494 23.454 1.00 35.61 ? C PHE B 102 1 -ATOM 3586 O O . PHE F 3 102 . 22.362 45.545 23.975 1.00 45.48 ? O PHE B 102 1 -ATOM 3587 C CB . PHE F 3 102 . 25.098 44.356 22.707 1.00 33.29 ? CB PHE B 102 1 -ATOM 3588 C CG . PHE F 3 102 . 25.442 45.812 22.725 1.00 34.45 ? CG PHE B 102 1 -ATOM 3589 C CD1 . PHE F 3 102 . 26.388 46.300 23.636 1.00 37 ? CD1 PHE B 102 1 -ATOM 3590 C CD2 . PHE F 3 102 . 24.856 46.700 21.824 1.00 30.26 ? CD2 PHE B 102 1 -ATOM 3591 C CE1 . PHE F 3 102 . 26.752 47.666 23.641 1.00 30.37 ? CE1 PHE B 102 1 -ATOM 3592 C CE2 . PHE F 3 102 . 25.214 48.058 21.822 1.00 28.37 ? CE2 PHE B 102 1 -ATOM 3593 C CZ . PHE F 3 102 . 26.163 48.533 22.731 1.00 33.87 ? CZ PHE B 102 1 -ATOM 3594 N N . ARG F 3 103 . 22.067 43.792 22.590 1.00 28.86 ? N ARG B 103 1 -ATOM 3595 C CA . ARG F 3 103 . 20.728 44.225 22.227 1.00 29.67 ? CA ARG B 103 1 -ATOM 3596 C C . ARG F 3 103 . 19.947 44.491 23.519 1.00 32.28 ? C ARG B 103 1 -ATOM 3597 O O . ARG F 3 103 . 19.036 45.314 23.560 1.00 37.56 ? O ARG B 103 1 -ATOM 3598 C CB . ARG F 3 103 . 20.048 43.129 21.405 1.00 39.46 ? CB ARG B 103 1 -ATOM 3599 C CG . ARG F 3 103 . 18.956 43.610 20.426 1.00 43.95 ? CG ARG B 103 1 -ATOM 3600 C CD . ARG F 3 103 . 18.323 42.440 19.636 1.00 39.97 ? CD ARG B 103 1 -ATOM 3601 N NE . ARG F 3 103 . 19.280 41.520 19.018 1.00 31.23 ? NE ARG B 103 1 -ATOM 3602 C CZ . ARG F 3 103 . 20.363 41.891 18.344 1.00 39.74 ? CZ ARG B 103 1 -ATOM 3603 N NH1 . ARG F 3 103 . 20.653 43.172 18.186 1.00 41.47 ? NH1 ARG B 103 1 -ATOM 3604 N NH2 . ARG F 3 103 . 21.161 40.977 17.818 1.00 40.06 ? NH2 ARG B 103 1 -ATOM 3605 N N . GLN F 3 104 . 20.319 43.766 24.571 1.00 36.68 ? N GLN B 104 1 -ATOM 3606 C CA . GLN F 3 104 . 19.729 43.908 25.893 1.00 36.85 ? CA GLN B 104 1 -ATOM 3607 C C . GLN F 3 104 . 20.252 45.120 26.663 1.00 35.07 ? C GLN B 104 1 -ATOM 3608 O O . GLN F 3 104 . 19.432 45.907 27.118 1.00 43.7 ? O GLN B 104 1 -ATOM 3609 C CB . GLN F 3 104 . 19.995 42.667 26.764 1.00 45.84 ? CB GLN B 104 1 -ATOM 3610 C CG . GLN F 3 104 . 19.316 41.355 26.350 1.00 50.71 ? CG GLN B 104 1 -ATOM 3611 C CD . GLN F 3 104 . 19.618 40.226 27.322 1.00 45.87 ? CD GLN B 104 1 -ATOM 3612 O OE1 . GLN F 3 104 . 20.110 40.452 28.428 1.00 49.19 ? OE1 GLN B 104 1 -ATOM 3613 N NE2 . GLN F 3 104 . 19.331 39.005 26.910 1.00 45.34 ? NE2 GLN B 104 1 -ATOM 3614 N N . LEU F 3 105 . 21.579 45.271 26.824 1.00 21.55 ? N LEU B 105 1 -ATOM 3615 C CA . LEU F 3 105 . 22.144 46.383 27.587 1.00 14.59 ? CA LEU B 105 1 -ATOM 3616 C C . LEU F 3 105 . 21.600 47.704 27.146 1.00 22.7 ? C LEU B 105 1 -ATOM 3617 O O . LEU F 3 105 . 21.640 48.661 27.937 1.00 28.95 ? O LEU B 105 1 -ATOM 3618 C CB . LEU F 3 105 . 23.653 46.479 27.457 1.00 19 ? CB LEU B 105 1 -ATOM 3619 C CG . LEU F 3 105 . 24.525 45.496 28.237 1.00 36.59 ? CG LEU B 105 1 -ATOM 3620 C CD1 . LEU F 3 105 . 24.304 44.076 27.746 1.00 35.92 ? CD1 LEU B 105 1 -ATOM 3621 C CD2 . LEU F 3 105 . 25.997 45.893 28.046 1.00 39.67 ? CD2 LEU B 105 1 -ATOM 3622 N N . ILE F 3 106 . 21.144 47.777 25.889 1.00 22.99 ? N ILE B 106 1 -ATOM 3623 C CA . ILE F 3 106 . 20.510 48.992 25.342 1.00 24.41 ? CA ILE B 106 1 -ATOM 3624 C C . ILE F 3 106 . 19.124 49.295 25.961 1.00 27.47 ? C ILE B 106 1 -ATOM 3625 O O . ILE F 3 106 . 18.757 50.464 26.118 1.00 32.6 ? O ILE B 106 1 -ATOM 3626 C CB . ILE F 3 106 . 20.402 48.840 23.792 1.00 33.4 ? CB ILE B 106 1 -ATOM 3627 C CG1 . ILE F 3 106 . 21.645 49.494 23.169 1.00 26.21 ? CG1 ILE B 106 1 -ATOM 3628 C CG2 . ILE F 3 106 . 19.084 49.410 23.283 1.00 27.21 ? CG2 ILE B 106 1 -ATOM 3629 C CD1 . ILE F 3 106 . 21.859 49.167 21.723 1.00 25.88 ? CD1 ILE B 106 1 -ATOM 3630 N N . GLN F 3 107 . 18.363 48.250 26.292 1.00 36.21 ? N GLN B 107 1 -ATOM 3631 C CA . GLN F 3 107 . 17.030 48.326 26.947 1.00 39.5 ? CA GLN B 107 1 -ATOM 3632 C C . GLN F 3 107 . 17.081 48.867 28.391 1.00 43.18 ? C GLN B 107 1 -ATOM 3633 O O . GLN F 3 107 . 16.069 49.346 28.912 1.00 45.64 ? O GLN B 107 1 -ATOM 3634 C CB . GLN F 3 107 . 16.393 46.950 27.015 1.00 36.51 ? CB GLN B 107 1 -ATOM 3635 C CG . GLN F 3 107 . 16.034 46.394 25.701 1.00 43.78 ? CG GLN B 107 1 -ATOM 3636 C CD . GLN F 3 107 . 14.899 47.152 25.144 1.00 49.1 ? CD GLN B 107 1 -ATOM 3637 O OE1 . GLN F 3 107 . 14.085 47.705 25.894 1.00 55 ? OE1 GLN B 107 1 -ATOM 3638 N NE2 . GLN F 3 107 . 14.819 47.205 23.826 1.00 52.69 ? NE2 GLN B 107 1 -ATOM 3639 N N . VAL F 3 108 . 18.239 48.686 29.035 1.00 45.91 ? N VAL B 108 1 -ATOM 3640 C CA . VAL F 3 108 . 18.577 49.115 30.401 1.00 46.45 ? CA VAL B 108 1 -ATOM 3641 C C . VAL F 3 108 . 19.060 50.571 30.411 1.00 50.06 ? C VAL B 108 1 -ATOM 3642 O O . VAL F 3 108 . 18.607 51.412 31.205 1.00 45.24 ? O VAL B 108 1 -ATOM 3643 C CB . VAL F 3 108 . 19.693 48.194 30.968 1.00 48.78 ? CB VAL B 108 1 -ATOM 3644 C CG1 . VAL F 3 108 . 20.397 48.868 32.132 1.00 49.98 ? CG1 VAL B 108 1 -ATOM 3645 C CG2 . VAL F 3 108 . 19.072 46.866 31.399 1.00 51.07 ? CG2 VAL B 108 1 -ATOM 3646 N N . ASN F 3 109 . 20.003 50.854 29.516 1.00 51.18 ? N ASN B 109 1 -ATOM 3647 C CA . ASN F 3 109 . 20.571 52.186 29.392 1.00 49.47 ? CA ASN B 109 1 -ATOM 3648 C C . ASN F 3 109 . 20.694 52.580 27.909 1.00 49.01 ? C ASN B 109 1 -ATOM 3649 O O . ASN F 3 109 . 21.276 51.836 27.122 1.00 48.13 ? O ASN B 109 1 -ATOM 3650 C CB . ASN F 3 109 . 21.939 52.195 30.066 1.00 42.66 ? CB ASN B 109 1 -ATOM 3651 C CG . ASN F 3 109 . 22.599 53.558 30.019 1.00 45.82 ? CG ASN B 109 1 -ATOM 3652 O OD1 . ASN F 3 109 . 23.819 53.670 29.919 1.00 43.9 ? OD1 ASN B 109 1 -ATOM 3653 N ND2 . ASN F 3 109 . 21.794 54.607 30.097 1.00 37.43 ? ND2 ASN B 109 1 -ATOM 3654 N N . PRO F 3 110 . 20.122 53.735 27.503 1.00 44.84 ? N PRO B 110 1 -ATOM 3655 C CA . PRO F 3 110 . 20.150 54.196 26.114 1.00 44.29 ? CA PRO B 110 1 -ATOM 3656 C C . PRO F 3 110 . 21.492 54.798 25.689 1.00 43.42 ? C PRO B 110 1 -ATOM 3657 O O . PRO F 3 110 . 21.763 54.932 24.499 1.00 45.4 ? O PRO B 110 1 -ATOM 3658 C CB . PRO F 3 110 . 18.997 55.190 26.047 1.00 44.19 ? CB PRO B 110 1 -ATOM 3659 C CG . PRO F 3 110 . 18.143 54.789 27.174 1.00 44.57 ? CG PRO B 110 1 -ATOM 3660 C CD . PRO F 3 110 . 19.197 54.610 28.232 1.00 44.7 ? CD PRO B 110 1 -ATOM 3661 N N . ASP F 3 111 . 22.336 55.156 26.648 1.00 40.76 ? N ASP B 111 1 -ATOM 3662 C CA . ASP F 3 111 . 23.606 55.808 26.337 1.00 35.04 ? CA ASP B 111 1 -ATOM 3663 C C . ASP F 3 111 . 24.596 54.980 25.517 1.00 34.58 ? C ASP B 111 1 -ATOM 3664 O O . ASP F 3 111 . 25.265 55.548 24.647 1.00 35.88 ? O ASP B 111 1 -ATOM 3665 C CB . ASP F 3 111 . 24.286 56.232 27.622 1.00 31.26 ? CB ASP B 111 1 -ATOM 3666 C CG . ASP F 3 111 . 25.304 57.279 27.390 1.00 27.36 ? CG ASP B 111 1 -ATOM 3667 O OD1 . ASP F 3 111 . 24.898 58.459 27.399 1.00 30.57 ? OD1 ASP B 111 1 -ATOM 3668 O OD2 . ASP F 3 111 . 26.490 56.929 27.196 1.00 34.17 ? OD2 ASP B 111 1 -ATOM 3669 N N . ILE F 3 112 . 24.743 53.675 25.755 1.00 35.4 ? N ILE B 112 1 -ATOM 3670 C CA . ILE F 3 112 . 25.715 52.980 24.913 1.00 31.11 ? CA ILE B 112 1 -ATOM 3671 C C . ILE F 3 112 . 25.213 52.937 23.462 1.00 28.23 ? C ILE B 112 1 -ATOM 3672 O O . ILE F 3 112 . 25.987 53.187 22.570 1.00 21.24 ? O ILE B 112 1 -ATOM 3673 C CB . ILE F 3 112 . 26.015 51.495 25.352 1.00 18.78 ? CB ILE B 112 1 -ATOM 3674 C CG1 . ILE F 3 112 . 25.611 51.203 26.785 1.00 16.34 ? CG1 ILE B 112 1 -ATOM 3675 C CG2 . ILE F 3 112 . 27.530 51.316 25.428 1.00 12.73 ? CG2 ILE B 112 1 -ATOM 3676 C CD1 . ILE F 3 112 . 24.152 50.990 26.965 1.00 29.32 ? CD1 ILE B 112 1 -ATOM 3677 N N . LEU F 3 113 . 23.945 52.670 23.196 1.00 21.42 ? N LEU B 113 1 -ATOM 3678 C CA . LEU F 3 113 . 23.496 52.700 21.790 1.00 35.44 ? CA LEU B 113 1 -ATOM 3679 C C . LEU F 3 113 . 23.784 54.058 21.087 1.00 39.01 ? C LEU B 113 1 -ATOM 3680 O O . LEU F 3 113 . 23.894 54.134 19.858 1.00 44.54 ? O LEU B 113 1 -ATOM 3681 C CB . LEU F 3 113 . 21.989 52.451 21.676 1.00 38.71 ? CB LEU B 113 1 -ATOM 3682 C CG . LEU F 3 113 . 21.427 52.726 20.270 1.00 37.54 ? CG LEU B 113 1 -ATOM 3683 C CD1 . LEU F 3 113 . 22.001 51.741 19.230 1.00 36.43 ? CD1 LEU B 113 1 -ATOM 3684 C CD2 . LEU F 3 113 . 19.912 52.617 20.358 1.00 43.65 ? CD2 LEU B 113 1 -ATOM 3685 N N . MET F 3 114 . 23.839 55.140 21.851 1.00 45.57 ? N MET B 114 1 -ATOM 3686 C CA . MET F 3 114 . 24.156 56.429 21.262 1.00 40.81 ? CA MET B 114 1 -ATOM 3687 C C . MET F 3 114 . 25.621 56.408 20.972 1.00 39.44 ? C MET B 114 1 -ATOM 3688 O O . MET F 3 114 . 26.039 56.667 19.842 1.00 46.2 ? O MET B 114 1 -ATOM 3689 C CB . MET F 3 114 . 23.905 57.598 22.209 1.00 32.3 ? CB MET B 114 1 -ATOM 3690 C CG . MET F 3 114 . 22.466 58.001 22.452 1.00 34.46 ? CG MET B 114 1 -ATOM 3691 S SD . MET F 3 114 . 21.836 59.359 21.419 1.00 38.84 ? SD MET B 114 1 -ATOM 3692 C CE . MET F 3 114 . 23.270 60.518 21.406 1.00 30.5 ? CE MET B 114 1 -ATOM 3693 N N . ARG F 3 115 . 26.409 56.083 21.996 1.00 33.43 ? N ARG B 115 1 -ATOM 3694 C CA . ARG F 3 115 . 27.864 56.080 21.820 1.00 35.32 ? CA ARG B 115 1 -ATOM 3695 C C . ARG F 3 115 . 28.296 55.268 20.603 1.00 31 ? C ARG B 115 1 -ATOM 3696 O O . ARG F 3 115 . 29.396 55.449 20.102 1.00 26.39 ? O ARG B 115 1 -ATOM 3697 C CB . ARG F 3 115 . 28.544 55.532 23.073 1.00 37.53 ? CB ARG B 115 1 -ATOM 3698 C CG . ARG F 3 115 . 28.287 56.438 24.238 1.00 34.45 ? CG ARG B 115 1 -ATOM 3699 C CD . ARG F 3 115 . 29.291 56.170 25.323 1.00 42.05 ? CD ARG B 115 1 -ATOM 3700 N NE . ARG F 3 115 . 29.150 57.092 26.448 1.00 39.24 ? NE ARG B 115 1 -ATOM 3701 C CZ . ARG F 3 115 . 30.170 57.471 27.199 1.00 37.47 ? CZ ARG B 115 1 -ATOM 3702 N NH1 . ARG F 3 115 . 31.383 57.002 26.929 1.00 44.91 ? NH1 ARG B 115 1 -ATOM 3703 N NH2 . ARG F 3 115 . 29.984 58.311 28.205 1.00 39.68 ? NH2 ARG B 115 1 -ATOM 3704 N N . LEU F 3 116 . 27.437 54.360 20.156 1.00 26.33 ? N LEU B 116 1 -ATOM 3705 C CA . LEU F 3 116 . 27.684 53.629 18.940 1.00 20.9 ? CA LEU B 116 1 -ATOM 3706 C C . LEU F 3 116 . 27.368 54.581 17.779 1.00 22.04 ? C LEU B 116 1 -ATOM 3707 O O . LEU F 3 116 . 28.260 55.045 17.061 1.00 12.77 ? O LEU B 116 1 -ATOM 3708 C CB . LEU F 3 116 . 26.770 52.418 18.855 1.00 24.96 ? CB LEU B 116 1 -ATOM 3709 C CG . LEU F 3 116 . 26.723 51.829 17.441 1.00 31.68 ? CG LEU B 116 1 -ATOM 3710 C CD1 . LEU F 3 116 . 27.954 50.994 17.288 1.00 33.91 ? CD1 LEU B 116 1 -ATOM 3711 C CD2 . LEU F 3 116 . 25.448 51.011 17.197 1.00 28 ? CD2 LEU B 116 1 -ATOM 3712 N N . SER F 3 117 . 26.078 54.882 17.631 1.00 6 ? N SER B 117 1 -ATOM 3713 C CA . SER F 3 117 . 25.613 55.751 16.564 1.00 9.49 ? CA SER B 117 1 -ATOM 3714 C C . SER F 3 117 . 26.467 57.004 16.351 1.00 8.5 ? C SER B 117 1 -ATOM 3715 O O . SER F 3 117 . 26.702 57.362 15.229 1.00 16.84 ? O SER B 117 1 -ATOM 3716 C CB . SER F 3 117 . 24.186 56.160 16.840 1.00 14.5 ? CB SER B 117 1 -ATOM 3717 O OG . SER F 3 117 . 23.439 54.978 17.029 1.00 27.72 ? OG SER B 117 1 -ATOM 3718 N N . ALA F 3 118 . 26.946 57.680 17.373 1.00 18.16 ? N ALA B 118 1 -ATOM 3719 C CA . ALA F 3 118 . 27.784 58.817 17.061 1.00 25.91 ? CA ALA B 118 1 -ATOM 3720 C C . ALA F 3 118 . 28.911 58.309 16.164 1.00 26.83 ? C ALA B 118 1 -ATOM 3721 O O . ALA F 3 118 . 29.224 58.853 15.083 1.00 17.64 ? O ALA B 118 1 -ATOM 3722 C CB . ALA F 3 118 . 28.364 59.392 18.321 1.00 24.51 ? CB ALA B 118 1 -ATOM 3723 N N . GLN F 3 119 . 29.495 57.208 16.625 1.00 31.09 ? N GLN B 119 1 -ATOM 3724 C CA . GLN F 3 119 . 30.617 56.579 15.943 1.00 32.55 ? CA GLN B 119 1 -ATOM 3725 C C . GLN F 3 119 . 30.248 56.338 14.439 1.00 31.63 ? C GLN B 119 1 -ATOM 3726 O O . GLN F 3 119 . 30.899 56.868 13.533 1.00 30.13 ? O GLN B 119 1 -ATOM 3727 C CB . GLN F 3 119 . 30.941 55.266 16.710 1.00 22.88 ? CB GLN B 119 1 -ATOM 3728 C CG . GLN F 3 119 . 32.426 54.920 16.958 1.00 29.7 ? CG GLN B 119 1 -ATOM 3729 C CD . GLN F 3 119 . 32.907 54.979 18.422 1.00 20.53 ? CD GLN B 119 1 -ATOM 3730 O OE1 . GLN F 3 119 . 34.106 54.935 18.692 1.00 28.26 ? OE1 GLN B 119 1 -ATOM 3731 N NE2 . GLN F 3 119 . 31.989 55.071 19.352 1.00 29.92 ? NE2 GLN B 119 1 -ATOM 3732 N N . MET F 3 120 . 29.182 55.597 14.161 1.00 25.81 ? N MET B 120 1 -ATOM 3733 C CA . MET F 3 120 . 28.810 55.369 12.771 1.00 24 ? CA MET B 120 1 -ATOM 3734 C C . MET F 3 120 . 28.535 56.670 12.010 1.00 22.19 ? C MET B 120 1 -ATOM 3735 O O . MET F 3 120 . 28.673 56.734 10.797 1.00 30.05 ? O MET B 120 1 -ATOM 3736 C CB . MET F 3 120 . 27.564 54.493 12.688 1.00 18.75 ? CB MET B 120 1 -ATOM 3737 C CG . MET F 3 120 . 27.719 53.140 13.321 1.00 14.42 ? CG MET B 120 1 -ATOM 3738 S SD . MET F 3 120 . 26.207 52.193 13.016 1.00 21.76 ? SD MET B 120 1 -ATOM 3739 C CE . MET F 3 120 . 25.128 53.111 14.061 1.00 18.57 ? CE MET B 120 1 -ATOM 3740 N N . ALA F 3 121 . 28.129 57.700 12.726 1.00 14.97 ? N ALA B 121 1 -ATOM 3741 C CA . ALA F 3 121 . 27.829 58.977 12.127 1.00 13.16 ? CA ALA B 121 1 -ATOM 3742 C C . ALA F 3 121 . 29.076 59.622 11.592 1.00 15.04 ? C ALA B 121 1 -ATOM 3743 O O . ALA F 3 121 . 29.053 60.120 10.470 1.00 25.68 ? O ALA B 121 1 -ATOM 3744 C CB . ALA F 3 121 . 27.195 59.893 13.140 1.00 30.92 ? CB ALA B 121 1 -ATOM 3745 N N . ARG F 3 122 . 30.176 59.625 12.319 1.00 6 ? N ARG B 122 1 -ATOM 3746 C CA . ARG F 3 122 . 31.260 60.284 11.666 1.00 12.43 ? CA ARG B 122 1 -ATOM 3747 C C . ARG F 3 122 . 31.847 59.419 10.595 1.00 21.97 ? C ARG B 122 1 -ATOM 3748 O O . ARG F 3 122 . 32.390 59.942 9.596 1.00 32.36 ? O ARG B 122 1 -ATOM 3749 C CB . ARG F 3 122 . 32.334 60.698 12.668 1.00 15.11 ? CB ARG B 122 1 -ATOM 3750 C CG . ARG F 3 122 . 31.812 61.893 13.549 1.00 32.79 ? CG ARG B 122 1 -ATOM 3751 C CD . ARG F 3 122 . 30.726 62.871 12.887 1.00 34.68 ? CD ARG B 122 1 -ATOM 3752 N NE . ARG F 3 122 . 31.056 63.570 11.623 1.00 40.65 ? NE ARG B 122 1 -ATOM 3753 C CZ . ARG F 3 122 . 30.204 64.329 10.910 1.00 35.47 ? CZ ARG B 122 1 -ATOM 3754 N NH1 . ARG F 3 122 . 28.954 64.524 11.289 1.00 35.14 ? NH1 ARG B 122 1 -ATOM 3755 N NH2 . ARG F 3 122 . 30.587 64.922 9.795 1.00 36.21 ? NH2 ARG B 122 1 -ATOM 3756 N N . ARG F 3 123 . 31.721 58.102 10.752 1.00 31.72 ? N ARG B 123 1 -ATOM 3757 C CA . ARG F 3 123 . 32.241 57.213 9.707 1.00 28.48 ? CA ARG B 123 1 -ATOM 3758 C C . ARG F 3 123 . 31.423 57.307 8.437 1.00 22.27 ? C ARG B 123 1 -ATOM 3759 O O . ARG F 3 123 . 31.967 57.063 7.392 1.00 18.23 ? O ARG B 123 1 -ATOM 3760 C CB . ARG F 3 123 . 32.245 55.759 10.162 1.00 22.47 ? CB ARG B 123 1 -ATOM 3761 C CG . ARG F 3 123 . 33.297 55.490 11.184 1.00 20.81 ? CG ARG B 123 1 -ATOM 3762 C CD . ARG F 3 123 . 32.973 54.200 11.837 1.00 20.58 ? CD ARG B 123 1 -ATOM 3763 N NE . ARG F 3 123 . 33.871 53.904 12.936 1.00 21.43 ? NE ARG B 123 1 -ATOM 3764 C CZ . ARG F 3 123 . 33.573 53.029 13.890 1.00 21.5 ? CZ ARG B 123 1 -ATOM 3765 N NH1 . ARG F 3 123 . 32.408 52.379 13.885 1.00 17.9 ? NH1 ARG B 123 1 -ATOM 3766 N NH2 . ARG F 3 123 . 34.455 52.779 14.828 1.00 19.75 ? NH2 ARG B 123 1 -ATOM 3767 N N . LEU F 3 124 . 30.137 57.636 8.492 1.00 12.68 ? N LEU B 124 1 -ATOM 3768 C CA . LEU F 3 124 . 29.429 57.745 7.231 1.00 9.16 ? CA LEU B 124 1 -ATOM 3769 C C . LEU F 3 124 . 29.859 59.048 6.586 1.00 14.29 ? C LEU B 124 1 -ATOM 3770 O O . LEU F 3 124 . 29.702 59.226 5.394 1.00 20.26 ? O LEU B 124 1 -ATOM 3771 C CB . LEU F 3 124 . 27.903 57.731 7.445 1.00 10.6 ? CB LEU B 124 1 -ATOM 3772 C CG . LEU F 3 124 . 26.979 57.641 6.209 1.00 20.56 ? CG LEU B 124 1 -ATOM 3773 C CD1 . LEU F 3 124 . 25.547 57.180 6.558 1.00 17.46 ? CD1 LEU B 124 1 -ATOM 3774 C CD2 . LEU F 3 124 . 26.898 59.032 5.612 1.00 28.61 ? CD2 LEU B 124 1 -ATOM 3775 N N . GLN F 3 125 . 30.432 59.970 7.360 1.00 18.57 ? N GLN B 125 1 -ATOM 3776 C CA . GLN F 3 125 . 30.872 61.227 6.759 1.00 20.3 ? CA GLN B 125 1 -ATOM 3777 C C . GLN F 3 125 . 32.277 61.071 6.209 1.00 16.47 ? C GLN B 125 1 -ATOM 3778 O O . GLN F 3 125 . 32.545 61.484 5.080 1.00 24.07 ? O GLN B 125 1 -ATOM 3779 C CB . GLN F 3 125 . 30.843 62.376 7.787 1.00 19.67 ? CB GLN B 125 1 -ATOM 3780 C CG . GLN F 3 125 . 30.854 63.805 7.135 1.00 37.57 ? CG GLN B 125 1 -ATOM 3781 C CD . GLN F 3 125 . 32.149 64.214 6.380 1.00 39.27 ? CD GLN B 125 1 -ATOM 3782 O OE1 . GLN F 3 125 . 32.143 64.407 5.158 1.00 49.89 ? OE1 GLN B 125 1 -ATOM 3783 N NE2 . GLN F 3 125 . 33.246 64.361 7.114 1.00 35.42 ? NE2 GLN B 125 1 -ATOM 3784 N N . VAL F 3 126 . 33.175 60.504 7.000 1.00 6 ? N VAL B 126 1 -ATOM 3785 C CA . VAL F 3 126 . 34.537 60.277 6.538 1.00 8.95 ? CA VAL B 126 1 -ATOM 3786 C C . VAL F 3 126 . 34.529 59.417 5.202 1.00 15.59 ? C VAL B 126 1 -ATOM 3787 O O . VAL F 3 126 . 35.297 59.712 4.276 1.00 20 ? O VAL B 126 1 -ATOM 3788 C CB . VAL F 3 126 . 35.380 59.550 7.721 1.00 8.3 ? CB VAL B 126 1 -ATOM 3789 C CG1 . VAL F 3 126 . 34.905 58.180 7.894 1.00 15.07 ? CG1 VAL B 126 1 -ATOM 3790 C CG2 . VAL F 3 126 . 36.873 59.493 7.417 1.00 7.72 ? CG2 VAL B 126 1 -ATOM 3791 N N . THR F 3 127 . 33.644 58.404 5.088 1.00 19.23 ? N THR B 127 1 -ATOM 3792 C CA . THR F 3 127 . 33.524 57.507 3.918 1.00 15.4 ? CA THR B 127 1 -ATOM 3793 C C . THR F 3 127 . 32.979 58.201 2.645 1.00 16.94 ? C THR B 127 1 -ATOM 3794 O O . THR F 3 127 . 33.559 58.063 1.576 1.00 19.91 ? O THR B 127 1 -ATOM 3795 C CB . THR F 3 127 . 32.610 56.314 4.253 1.00 24.38 ? CB THR B 127 1 -ATOM 3796 O OG1 . THR F 3 127 . 33.053 55.680 5.450 1.00 31.04 ? OG1 THR B 127 1 -ATOM 3797 C CG2 . THR F 3 127 . 32.682 55.284 3.172 1.00 23.17 ? CG2 THR B 127 1 -ATOM 3798 N N . SER F 3 128 . 31.845 58.894 2.750 1.00 10.8 ? N SER B 128 1 -ATOM 3799 C CA . SER F 3 128 . 31.315 59.674 1.655 1.00 7.58 ? CA SER B 128 1 -ATOM 3800 C C . SER F 3 128 . 32.423 60.618 1.070 1.00 12.15 ? C SER B 128 1 -ATOM 3801 O O . SER F 3 128 . 32.607 60.720 -0.158 1.00 8.04 ? O SER B 128 1 -ATOM 3802 C CB . SER F 3 128 . 30.150 60.476 2.167 1.00 7.96 ? CB SER B 128 1 -ATOM 3803 O OG . SER F 3 128 . 29.043 59.650 2.485 1.00 6 ? OG SER B 128 1 -ATOM 3804 N N . GLU F 3 129 . 33.206 61.266 1.927 1.00 11.45 ? N GLU B 129 1 -ATOM 3805 C CA . GLU F 3 129 . 34.292 62.120 1.433 1.00 11.66 ? CA GLU B 129 1 -ATOM 3806 C C . GLU F 3 129 . 35.148 61.257 0.502 1.00 11.95 ? C GLU B 129 1 -ATOM 3807 O O . GLU F 3 129 . 35.290 61.536 -0.678 1.00 24.96 ? O GLU B 129 1 -ATOM 3808 C CB . GLU F 3 129 . 35.167 62.635 2.591 1.00 6 ? CB GLU B 129 1 -ATOM 3809 C CG . GLU F 3 129 . 35.610 64.074 2.373 1.00 23 ? CG GLU B 129 1 -ATOM 3810 C CD . GLU F 3 129 . 36.908 64.446 3.091 1.00 20.21 ? CD GLU B 129 1 -ATOM 3811 O OE1 . GLU F 3 129 . 36.893 64.789 4.286 1.00 31.85 ? OE1 GLU B 129 1 -ATOM 3812 O OE2 . GLU F 3 129 . 37.975 64.394 2.452 1.00 27.65 ? OE2 GLU B 129 1 -ATOM 3813 N N . LYS F 3 130 . 35.689 60.177 1.048 1.00 16.14 ? N LYS B 130 1 -ATOM 3814 C CA . LYS F 3 130 . 36.500 59.203 0.321 1.00 14.93 ? CA LYS B 130 1 -ATOM 3815 C C . LYS F 3 130 . 35.835 58.836 -1.036 1.00 14.28 ? C LYS B 130 1 -ATOM 3816 O O . LYS F 3 130 . 36.557 58.632 -2.001 1.00 11.83 ? O LYS B 130 1 -ATOM 3817 C CB . LYS F 3 130 . 36.679 57.962 1.231 1.00 16.37 ? CB LYS B 130 1 -ATOM 3818 C CG . LYS F 3 130 . 37.362 56.738 0.607 1.00 19.85 ? CG LYS B 130 1 -ATOM 3819 C CD . LYS F 3 130 . 38.604 56.245 1.372 1.00 21.79 ? CD LYS B 130 1 -ATOM 3820 C CE . LYS F 3 130 . 39.044 54.827 0.869 1.00 21.85 ? CE LYS B 130 1 -ATOM 3821 N NZ . LYS F 3 130 . 40.374 54.326 1.362 1.00 21.02 ? NZ LYS B 130 1 -ATOM 3822 N N . VAL F 3 131 . 34.504 58.722 -1.147 1.00 6 ? N VAL B 131 1 -ATOM 3823 C CA . VAL F 3 131 . 33.939 58.472 -2.470 1.00 11.08 ? CA VAL B 131 1 -ATOM 3824 C C . VAL F 3 131 . 34.271 59.690 -3.361 1.00 10.79 ? C VAL B 131 1 -ATOM 3825 O O . VAL F 3 131 . 34.871 59.550 -4.417 1.00 20.71 ? O VAL B 131 1 -ATOM 3826 C CB . VAL F 3 131 . 32.384 58.300 -2.432 1.00 16.43 ? CB VAL B 131 1 -ATOM 3827 C CG1 . VAL F 3 131 . 31.804 58.196 -3.843 1.00 6 ? CG1 VAL B 131 1 -ATOM 3828 C CG2 . VAL F 3 131 . 32.042 57.038 -1.676 1.00 22.52 ? CG2 VAL B 131 1 -ATOM 3829 N N . GLY F 3 132 . 33.937 60.888 -2.902 1.00 12.82 ? N GLY B 132 1 -ATOM 3830 C CA . GLY F 3 132 . 34.188 62.114 -3.661 1.00 15.93 ? CA GLY B 132 1 -ATOM 3831 C C . GLY F 3 132 . 35.634 62.332 -4.073 1.00 17.35 ? C GLY B 132 1 -ATOM 3832 O O . GLY F 3 132 . 35.883 62.873 -5.145 1.00 25.45 ? O GLY B 132 1 -ATOM 3833 N N . ASN F 3 133 . 36.597 61.971 -3.240 1.00 6 ? N ASN B 133 1 -ATOM 3834 C CA . ASN F 3 133 . 37.972 62.101 -3.636 1.00 6 ? CA ASN B 133 1 -ATOM 3835 C C . ASN F 3 133 . 38.319 61.114 -4.754 1.00 10.86 ? C ASN B 133 1 -ATOM 3836 O O . ASN F 3 133 . 39.092 61.416 -5.648 1.00 26.23 ? O ASN B 133 1 -ATOM 3837 C CB . ASN F 3 133 . 38.888 61.825 -2.467 1.00 15.42 ? CB ASN B 133 1 -ATOM 3838 C CG . ASN F 3 133 . 38.730 62.820 -1.357 1.00 25.45 ? CG ASN B 133 1 -ATOM 3839 O OD1 . ASN F 3 133 . 37.754 63.590 -1.328 1.00 34.73 ? OD1 ASN B 133 1 -ATOM 3840 N ND2 . ASN F 3 133 . 39.691 62.820 -0.424 1.00 20.65 ? ND2 ASN B 133 1 -ATOM 3841 N N . LEU F 3 134 . 37.789 59.904 -4.678 1.00 14.24 ? N LEU B 134 1 -ATOM 3842 C CA . LEU F 3 134 . 38.072 58.891 -5.658 1.00 8.73 ? CA LEU B 134 1 -ATOM 3843 C C . LEU F 3 134 . 37.540 59.307 -6.984 1.00 15.86 ? C LEU B 134 1 -ATOM 3844 O O . LEU F 3 134 . 38.081 58.944 -8.014 1.00 17.35 ? O LEU B 134 1 -ATOM 3845 C CB . LEU F 3 134 . 37.429 57.578 -5.255 1.00 17.51 ? CB LEU B 134 1 -ATOM 3846 C CG . LEU F 3 134 . 38.083 56.840 -4.100 1.00 8.07 ? CG LEU B 134 1 -ATOM 3847 C CD1 . LEU F 3 134 . 37.243 55.649 -3.672 1.00 11.18 ? CD1 LEU B 134 1 -ATOM 3848 C CD2 . LEU F 3 134 . 39.427 56.402 -4.546 1.00 12.76 ? CD2 LEU B 134 1 -ATOM 3849 N N . ALA F 3 135 . 36.486 60.101 -6.965 1.00 6.03 ? N ALA B 135 1 -ATOM 3850 C CA . ALA F 3 135 . 35.852 60.491 -8.198 1.00 12.61 ? CA ALA B 135 1 -ATOM 3851 C C . ALA F 3 135 . 36.146 61.897 -8.755 1.00 14.83 ? C ALA B 135 1 -ATOM 3852 O O . ALA F 3 135 . 35.803 62.150 -9.922 1.00 11.33 ? O ALA B 135 1 -ATOM 3853 C CB . ALA F 3 135 . 34.377 60.337 -8.022 1.00 12.38 ? CB ALA B 135 1 -ATOM 3854 N N . PHE F 3 136 . 36.716 62.801 -7.957 1.00 11.8 ? N PHE B 136 1 -ATOM 3855 C CA . PHE F 3 136 . 36.961 64.184 -8.384 1.00 18.03 ? CA PHE B 136 1 -ATOM 3856 C C . PHE F 3 136 . 38.460 64.559 -8.507 1.00 20.12 ? C PHE B 136 1 -ATOM 3857 O O . PHE F 3 136 . 38.845 65.383 -9.340 1.00 26.36 ? O PHE B 136 1 -ATOM 3858 C CB . PHE F 3 136 . 36.297 65.172 -7.390 1.00 10.56 ? CB PHE B 136 1 -ATOM 3859 C CG . PHE F 3 136 . 34.769 65.186 -7.404 1.00 19.16 ? CG PHE B 136 1 -ATOM 3860 C CD1 . PHE F 3 136 . 34.038 64.808 -8.531 1.00 15.55 ? CD1 PHE B 136 1 -ATOM 3861 C CD2 . PHE F 3 136 . 34.069 65.603 -6.278 1.00 8.01 ? CD2 PHE B 136 1 -ATOM 3862 C CE1 . PHE F 3 136 . 32.633 64.847 -8.532 1.00 21.46 ? CE1 PHE B 136 1 -ATOM 3863 C CE2 . PHE F 3 136 . 32.700 65.641 -6.278 1.00 16.09 ? CE2 PHE B 136 1 -ATOM 3864 C CZ . PHE F 3 136 . 31.968 65.261 -7.416 1.00 15.36 ? CZ PHE B 136 1 -ATOM 3865 N N . LEU F 3 137 . 39.276 63.989 -7.634 1.00 12.22 ? N LEU B 137 1 -ATOM 3866 C CA . LEU F 3 137 . 40.702 64.241 -7.543 1.00 15.52 ? CA LEU B 137 1 -ATOM 3867 C C . LEU F 3 137 . 41.508 63.185 -8.305 1.00 18.41 ? C LEU B 137 1 -ATOM 3868 O O . LEU F 3 137 . 41.146 62.006 -8.312 1.00 23.05 ? O LEU B 137 1 -ATOM 3869 C CB . LEU F 3 137 . 41.104 64.244 -6.055 1.00 18 ? CB LEU B 137 1 -ATOM 3870 C CG . LEU F 3 137 . 40.643 65.305 -5.042 1.00 13.34 ? CG LEU B 137 1 -ATOM 3871 C CD1 . LEU F 3 137 . 39.145 65.354 -4.903 1.00 20.49 ? CD1 LEU B 137 1 -ATOM 3872 C CD2 . LEU F 3 137 . 41.215 64.948 -3.727 1.00 16.84 ? CD2 LEU B 137 1 -ATOM 3873 N N . ASP F 3 138 . 42.584 63.577 -8.970 1.00 22.68 ? N ASP B 138 1 -ATOM 3874 C CA . ASP F 3 138 . 43.387 62.577 -9.636 1.00 22.09 ? CA ASP B 138 1 -ATOM 3875 C C . ASP F 3 138 . 44.246 61.970 -8.544 1.00 25.28 ? C ASP B 138 1 -ATOM 3876 O O . ASP F 3 138 . 44.199 62.453 -7.414 1.00 36.18 ? O ASP B 138 1 -ATOM 3877 C CB . ASP F 3 138 . 44.219 63.250 -10.731 1.00 28.7 ? CB ASP B 138 1 -ATOM 3878 C CG . ASP F 3 138 . 45.076 64.429 -10.232 1.00 37.04 ? CG ASP B 138 1 -ATOM 3879 O OD1 . ASP F 3 138 . 45.119 64.716 -8.994 1.00 34.49 ? OD1 ASP B 138 1 -ATOM 3880 O OD2 . ASP F 3 138 . 45.714 65.068 -11.122 1.00 29.88 ? OD2 ASP B 138 1 -ATOM 3881 N N . VAL F 3 139 . 45.057 60.958 -8.811 1.00 24.71 ? N VAL B 139 1 -ATOM 3882 C CA . VAL F 3 139 . 45.800 60.372 -7.694 1.00 21.17 ? CA VAL B 139 1 -ATOM 3883 C C . VAL F 3 139 . 46.641 61.350 -6.907 1.00 19.93 ? C VAL B 139 1 -ATOM 3884 O O . VAL F 3 139 . 46.610 61.356 -5.677 1.00 24.54 ? O VAL B 139 1 -ATOM 3885 C CB . VAL F 3 139 . 46.744 59.261 -8.151 1.00 17.54 ? CB VAL B 139 1 -ATOM 3886 C CG1 . VAL F 3 139 . 47.612 59.765 -9.247 1.00 20.87 ? CG1 VAL B 139 1 -ATOM 3887 C CG2 . VAL F 3 139 . 47.635 58.818 -6.997 1.00 21.72 ? CG2 VAL B 139 1 -ATOM 3888 N N . THR F 3 140 . 47.378 62.182 -7.606 1.00 15.47 ? N THR B 140 1 -ATOM 3889 C CA . THR F 3 140 . 48.290 63.094 -6.948 1.00 23.09 ? CA THR B 140 1 -ATOM 3890 C C . THR F 3 140 . 47.601 63.827 -5.830 1.00 23.55 ? C THR B 140 1 -ATOM 3891 O O . THR F 3 140 . 48.171 64.024 -4.763 1.00 32.52 ? O THR B 140 1 -ATOM 3892 C CB . THR F 3 140 . 48.830 64.122 -7.930 1.00 36.35 ? CB THR B 140 1 -ATOM 3893 O OG1 . THR F 3 140 . 49.309 63.447 -9.099 1.00 49.26 ? OG1 THR B 140 1 -ATOM 3894 C CG2 . THR F 3 140 . 49.975 64.901 -7.312 1.00 37.86 ? CG2 THR B 140 1 -ATOM 3895 N N . GLY F 3 141 . 46.350 64.191 -6.075 1.00 28.77 ? N GLY B 141 1 -ATOM 3896 C CA . GLY F 3 141 . 45.581 64.957 -5.103 1.00 31.58 ? CA GLY B 141 1 -ATOM 3897 C C . GLY F 3 141 . 45.141 64.130 -3.924 1.00 31.19 ? C GLY B 141 1 -ATOM 3898 O O . GLY F 3 141 . 45.248 64.560 -2.763 1.00 37.76 ? O GLY B 141 1 -ATOM 3899 N N . ARG F 3 142 . 44.603 62.956 -4.223 1.00 31.85 ? N ARG B 142 1 -ATOM 3900 C CA . ARG F 3 142 . 44.211 62.081 -3.157 1.00 25.46 ? CA ARG B 142 1 -ATOM 3901 C C . ARG F 3 142 . 45.450 61.869 -2.261 1.00 25.68 ? C ARG B 142 1 -ATOM 3902 O O . ARG F 3 142 . 45.363 62.027 -1.069 1.00 27.72 ? O ARG B 142 1 -ATOM 3903 C CB . ARG F 3 142 . 43.722 60.763 -3.742 1.00 22.37 ? CB ARG B 142 1 -ATOM 3904 C CG . ARG F 3 142 . 42.500 60.883 -4.651 1.00 26.83 ? CG ARG B 142 1 -ATOM 3905 C CD . ARG F 3 142 . 41.977 59.512 -5.169 1.00 23.63 ? CD ARG B 142 1 -ATOM 3906 N NE . ARG F 3 142 . 42.940 58.803 -6.021 1.00 25.58 ? NE ARG B 142 1 -ATOM 3907 C CZ . ARG F 3 142 . 42.659 57.742 -6.776 1.00 26.34 ? CZ ARG B 142 1 -ATOM 3908 N NH1 . ARG F 3 142 . 41.441 57.241 -6.792 1.00 34.31 ? NH1 ARG B 142 1 -ATOM 3909 N NH2 . ARG F 3 142 . 43.585 57.196 -7.543 1.00 19.41 ? NH2 ARG B 142 1 -ATOM 3910 N N . ILE F 3 143 . 46.626 61.591 -2.804 1.00 26.2 ? N ILE B 143 1 -ATOM 3911 C CA . ILE F 3 143 . 47.767 61.371 -1.927 1.00 22.59 ? CA ILE B 143 1 -ATOM 3912 C C . ILE F 3 143 . 48.079 62.556 -1.008 1.00 26.27 ? C ILE B 143 1 -ATOM 3913 O O . ILE F 3 143 . 48.538 62.353 0.115 1.00 26.91 ? O ILE B 143 1 -ATOM 3914 C CB . ILE F 3 143 . 49.051 61.046 -2.743 1.00 22.51 ? CB ILE B 143 1 -ATOM 3915 C CG1 . ILE F 3 143 . 48.902 59.687 -3.421 1.00 15.96 ? CG1 ILE B 143 1 -ATOM 3916 C CG2 . ILE F 3 143 . 50.274 60.991 -1.812 1.00 22.73 ? CG2 ILE B 143 1 -ATOM 3917 C CD1 . ILE F 3 143 . 50.195 59.206 -4.005 1.00 22.99 ? CD1 ILE B 143 1 -ATOM 3918 N N . ALA F 3 144 . 47.855 63.789 -1.445 1.00 26.86 ? N ALA B 144 1 -ATOM 3919 C CA . ALA F 3 144 . 48.167 64.906 -0.564 1.00 30.91 ? CA ALA B 144 1 -ATOM 3920 C C . ALA F 3 144 . 47.135 65.015 0.571 1.00 33.44 ? C ALA B 144 1 -ATOM 3921 O O . ALA F 3 144 . 47.458 65.510 1.658 1.00 31.27 ? O ALA B 144 1 -ATOM 3922 C CB . ALA F 3 144 . 48.207 66.195 -1.368 1.00 31.26 ? CB ALA B 144 1 -ATOM 3923 N N . GLN F 3 145 . 45.893 64.597 0.321 1.00 26 ? N GLN B 145 1 -ATOM 3924 C CA . GLN F 3 145 . 44.905 64.565 1.390 1.00 28.49 ? CA GLN B 145 1 -ATOM 3925 C C . GLN F 3 145 . 45.285 63.446 2.373 1.00 32.2 ? C GLN B 145 1 -ATOM 3926 O O . GLN F 3 145 . 45.200 63.601 3.600 1.00 35.21 ? O GLN B 145 1 -ATOM 3927 C CB . GLN F 3 145 . 43.509 64.298 0.828 1.00 33.11 ? CB GLN B 145 1 -ATOM 3928 C CG . GLN F 3 145 . 42.873 65.530 0.117 1.00 39.62 ? CG GLN B 145 1 -ATOM 3929 C CD . GLN F 3 145 . 41.639 66.075 0.844 1.00 39.15 ? CD GLN B 145 1 -ATOM 3930 O OE1 . GLN F 3 145 . 41.691 66.411 2.036 1.00 35.62 ? OE1 GLN B 145 1 -ATOM 3931 N NE2 . GLN F 3 145 . 40.515 66.150 0.123 1.00 48.64 ? NE2 GLN B 145 1 -ATOM 3932 N N . THR F 3 146 . 45.706 62.307 1.838 1.00 31.18 ? N THR B 146 1 -ATOM 3933 C CA . THR F 3 146 . 46.137 61.186 2.663 1.00 25.08 ? CA THR B 146 1 -ATOM 3934 C C . THR F 3 146 . 47.327 61.604 3.537 1.00 24.65 ? C THR B 146 1 -ATOM 3935 O O . THR F 3 146 . 47.277 61.392 4.750 1.00 22.06 ? O THR B 146 1 -ATOM 3936 C CB . THR F 3 146 . 46.500 60.021 1.735 1.00 16.96 ? CB THR B 146 1 -ATOM 3937 O OG1 . THR F 3 146 . 45.279 59.522 1.188 1.00 14.17 ? OG1 THR B 146 1 -ATOM 3938 C CG2 . THR F 3 146 . 47.273 58.931 2.452 1.00 24.2 ? CG2 THR B 146 1 -ATOM 3939 N N . LEU F 3 147 . 48.358 62.221 2.936 1.00 21.29 ? N LEU B 147 1 -ATOM 3940 C CA . LEU F 3 147 . 49.525 62.693 3.678 1.00 23.74 ? CA LEU B 147 1 -ATOM 3941 C C . LEU F 3 147 . 49.137 63.771 4.687 1.00 26.49 ? C LEU B 147 1 -ATOM 3942 O O . LEU F 3 147 . 49.794 63.955 5.719 1.00 32.72 ? O LEU B 147 1 -ATOM 3943 C CB . LEU F 3 147 . 50.582 63.227 2.706 1.00 30.23 ? CB LEU B 147 1 -ATOM 3944 C CG . LEU F 3 147 . 51.070 62.103 1.774 1.00 32.85 ? CG LEU B 147 1 -ATOM 3945 C CD1 . LEU F 3 147 . 52.528 62.339 1.401 1.00 25.47 ? CD1 LEU B 147 1 -ATOM 3946 C CD2 . LEU F 3 147 . 50.994 60.760 2.493 1.00 31.35 ? CD2 LEU B 147 1 -ATOM 3947 N N . LEU F 3 148 . 48.045 64.580 4.591 1.00 30.37 ? N LEU B 148 1 -ATOM 3948 C CA . LEU F 3 148 . 47.562 65.608 5.485 1.00 33.47 ? CA LEU B 148 1 -ATOM 3949 C C . LEU F 3 148 . 46.823 64.850 6.610 1.00 30.49 ? C LEU B 148 1 -ATOM 3950 O O . LEU F 3 148 . 47.376 64.706 7.697 1.00 29.91 ? O LEU B 148 1 -ATOM 3951 C CB . LEU F 3 148 . 46.619 66.555 4.722 1.00 35.58 ? CB LEU B 148 1 -ATOM 3952 C CG . LEU F 3 148 . 47.059 68.031 4.696 1.00 43.84 ? CG LEU B 148 1 -ATOM 3953 C CD1 . LEU F 3 148 . 48.463 68.129 4.098 1.00 43.67 ? CD1 LEU B 148 1 -ATOM 3954 C CD2 . LEU F 3 148 . 46.048 68.862 3.895 1.00 37.67 ? CD2 LEU B 148 1 -ATOM 3955 N N . ASN F 3 149 . 45.649 64.280 6.298 1.00 29.34 ? N ASN B 149 1 -ATOM 3956 C CA . ASN F 3 149 . 44.803 63.477 7.202 1.00 30.43 ? CA ASN B 149 1 -ATOM 3957 C C . ASN F 3 149 . 45.559 62.391 7.989 1.00 36.59 ? C ASN B 149 1 -ATOM 3958 O O . ASN F 3 149 . 45.274 62.183 9.182 1.00 44.05 ? O ASN B 149 1 -ATOM 3959 C CB . ASN F 3 149 . 43.657 62.803 6.404 1.00 43.77 ? CB ASN B 149 1 -ATOM 3960 C CG . ASN F 3 149 . 42.532 63.796 5.972 1.00 50.5 ? CG ASN B 149 1 -ATOM 3961 O OD1 . ASN F 3 149 . 41.773 64.313 6.807 1.00 54.81 ? OD1 ASN B 149 1 -ATOM 3962 N ND2 . ASN F 3 149 . 42.420 64.045 4.665 1.00 44.07 ? ND2 ASN B 149 1 -ATOM 3963 N N . LEU F 3 150 . 46.500 61.686 7.368 1.00 28.2 ? N LEU B 150 1 -ATOM 3964 C CA . LEU F 3 150 . 47.252 60.701 8.124 1.00 29 ? CA LEU B 150 1 -ATOM 3965 C C . LEU F 3 150 . 48.101 61.383 9.160 1.00 30.94 ? C LEU B 150 1 -ATOM 3966 O O . LEU F 3 150 . 48.020 61.119 10.362 1.00 33.3 ? O LEU B 150 1 -ATOM 3967 C CB . LEU F 3 150 . 48.197 59.900 7.237 1.00 30.48 ? CB LEU B 150 1 -ATOM 3968 C CG . LEU F 3 150 . 47.712 58.822 6.268 1.00 32.55 ? CG LEU B 150 1 -ATOM 3969 C CD1 . LEU F 3 150 . 48.860 58.436 5.328 1.00 25.04 ? CD1 LEU B 150 1 -ATOM 3970 C CD2 . LEU F 3 150 . 47.206 57.619 7.068 1.00 33.4 ? CD2 LEU B 150 1 -ATOM 3971 N N . ALA F 3 151 . 48.945 62.260 8.640 1.00 35.89 ? N ALA B 151 1 -ATOM 3972 C CA . ALA F 3 151 . 49.911 62.994 9.425 1.00 38.49 ? CA ALA B 151 1 -ATOM 3973 C C . ALA F 3 151 . 49.263 63.982 10.393 1.00 38.55 ? C ALA B 151 1 -ATOM 3974 O O . ALA F 3 151 . 49.517 65.171 10.334 1.00 35.91 ? O ALA B 151 1 -ATOM 3975 C CB . ALA F 3 151 . 50.849 63.716 8.469 1.00 37.11 ? CB ALA B 151 1 -ATOM 3976 N N . LYS F 3 152 . 48.456 63.474 11.311 1.00 39.55 ? N LYS B 152 1 -ATOM 3977 C CA . LYS F 3 152 . 47.762 64.290 12.310 1.00 39.82 ? CA LYS B 152 1 -ATOM 3978 C C . LYS F 3 152 . 47.097 63.343 13.328 1.00 45.4 ? C LYS B 152 1 -ATOM 3979 O O . LYS F 3 152 . 47.347 63.475 14.534 1.00 50.61 ? O LYS B 152 1 -ATOM 3980 C CB . LYS F 3 152 . 46.696 65.171 11.637 1.00 44.12 ? CB LYS B 152 1 -ATOM 3981 C CG . LYS F 3 152 . 45.904 66.075 12.594 1.00 48.42 ? CG LYS B 152 1 -ATOM 3982 C CD . LYS F 3 152 . 44.689 66.680 11.891 1.00 51.82 ? CD LYS B 152 1 -ATOM 3983 C CE . LYS F 3 152 . 43.669 67.278 12.877 1.00 52.07 ? CE LYS B 152 1 -ATOM 3984 N NZ . LYS F 3 152 . 44.139 68.422 13.702 1.00 40.63 ? NZ LYS B 152 1 -ATOM 3985 N N . GLN F 3 153 . 46.273 62.400 12.850 1.00 45.18 ? N GLN B 153 1 -ATOM 3986 C CA . GLN F 3 153 . 45.621 61.377 13.690 1.00 44.36 ? CA GLN B 153 1 -ATOM 3987 C C . GLN F 3 153 . 46.688 60.682 14.582 1.00 46.16 ? C GLN B 153 1 -ATOM 3988 O O . GLN F 3 153 . 47.806 60.444 14.116 1.00 51.06 ? O GLN B 153 1 -ATOM 3989 C CB . GLN F 3 153 . 44.957 60.339 12.782 1.00 45.12 ? CB GLN B 153 1 -ATOM 3990 C CG . GLN F 3 153 . 44.263 59.139 13.463 1.00 44.46 ? CG GLN B 153 1 -ATOM 3991 C CD . GLN F 3 153 . 43.840 58.040 12.459 1.00 42.69 ? CD GLN B 153 1 -ATOM 3992 O OE1 . GLN F 3 153 . 44.689 57.485 11.756 1.00 36.97 ? OE1 GLN B 153 1 -ATOM 3993 N NE2 . GLN F 3 153 . 42.536 57.732 12.394 1.00 37 ? NE2 GLN B 153 1 -ATOM 3994 N N . PRO F 3 154 . 46.375 60.349 15.856 1.00 44.48 ? N PRO B 154 1 -ATOM 3995 C CA . PRO F 3 154 . 47.330 59.796 16.833 1.00 45.29 ? CA PRO B 154 1 -ATOM 3996 C C . PRO F 3 154 . 48.086 58.512 16.433 1.00 48.4 ? C PRO B 154 1 -ATOM 3997 O O . PRO F 3 154 . 47.643 57.383 16.624 1.00 51.99 ? O PRO B 154 1 -ATOM 3998 C CB . PRO F 3 154 . 46.486 59.655 18.092 1.00 50.13 ? CB PRO B 154 1 -ATOM 3999 C CG . PRO F 3 154 . 45.624 60.875 18.000 1.00 55 ? CG PRO B 154 1 -ATOM 4000 C CD . PRO F 3 154 . 45.092 60.628 16.568 1.00 47.81 ? CD PRO B 154 1 -ATOM 4001 N N . ASP F 3 155 . 49.271 58.836 15.919 1.00 47.86 ? N ASP B 155 1 -ATOM 4002 C CA . ASP F 3 155 . 50.307 57.924 15.422 1.00 48.66 ? CA ASP B 155 1 -ATOM 4003 C C . ASP F 3 155 . 51.511 58.767 15.104 1.00 49.94 ? C ASP B 155 1 -ATOM 4004 O O . ASP F 3 155 . 52.688 58.380 15.158 1.00 45.02 ? O ASP B 155 1 -ATOM 4005 C CB . ASP F 3 155 . 49.861 57.155 14.123 1.00 55 ? CB ASP B 155 1 -ATOM 4006 C CG . ASP F 3 155 . 50.571 57.591 12.799 1.00 54.97 ? CG ASP B 155 1 -ATOM 4007 O OD1 . ASP F 3 155 . 51.786 57.298 12.542 1.00 44.54 ? OD1 ASP B 155 1 -ATOM 4008 O OD2 . ASP F 3 155 . 49.881 58.230 11.960 1.00 44.54 ? OD2 ASP B 155 1 -ATOM 4009 N N . ALA F 3 156 . 51.065 59.955 14.702 1.00 54.47 ? N ALA B 156 1 -ATOM 4010 C CA . ALA F 3 156 . 51.808 61.123 14.319 1.00 55 ? CA ALA B 156 1 -ATOM 4011 C C . ALA F 3 156 . 52.422 61.689 15.583 1.00 55 ? C ALA B 156 1 -ATOM 4012 O O . ALA F 3 156 . 51.773 61.763 16.654 1.00 53.46 ? O ALA B 156 1 -ATOM 4013 C CB . ALA F 3 156 . 50.866 62.140 13.676 1.00 51.25 ? CB ALA B 156 1 -ATOM 4014 N N . MET F 3 157 . 53.699 62.030 15.458 1.00 55 ? N MET B 157 1 -ATOM 4015 C CA . MET F 3 157 . 54.425 62.628 16.543 1.00 55 ? CA MET B 157 1 -ATOM 4016 C C . MET F 3 157 . 55.127 63.893 16.017 1.00 55 ? C MET B 157 1 -ATOM 4017 O O . MET F 3 157 . 55.805 63.932 14.963 1.00 48.49 ? O MET B 157 1 -ATOM 4018 C CB . MET F 3 157 . 55.408 61.583 17.129 1.00 53.29 ? CB MET B 157 1 -ATOM 4019 C CG . MET F 3 157 . 56.129 60.751 16.143 1.00 48.98 ? CG MET B 157 1 -ATOM 4020 S SD . MET F 3 157 . 57.179 61.862 15.329 1.00 51.78 ? SD MET B 157 1 -ATOM 4021 C CE . MET F 3 157 . 58.818 61.278 16.015 1.00 52.5 ? CE MET B 157 1 -ATOM 4022 N N . THR F 3 158 . 54.837 64.933 16.804 1.00 55 ? N THR B 158 1 -ATOM 4023 C CA . THR F 3 158 . 55.202 66.330 16.660 1.00 53.39 ? CA THR B 158 1 -ATOM 4024 C C . THR F 3 158 . 56.591 66.580 16.122 1.00 48.24 ? C THR B 158 1 -ATOM 4025 O O . THR F 3 158 . 57.573 66.618 16.859 1.00 49.13 ? O THR B 158 1 -ATOM 4026 C CB . THR F 3 158 . 55.025 67.036 18.043 1.00 50.88 ? CB THR B 158 1 -ATOM 4027 O OG1 . THR F 3 158 . 55.915 66.474 19.026 1.00 55 ? OG1 THR B 158 1 -ATOM 4028 C CG2 . THR F 3 158 . 53.585 66.830 18.536 1.00 53.52 ? CG2 THR B 158 1 -ATOM 4029 N N . HIS F 3 159 . 56.673 66.718 14.810 1.00 44.88 ? N HIS B 159 1 -ATOM 4030 C CA . HIS F 3 159 . 57.934 67.045 14.200 1.00 43.77 ? CA HIS B 159 1 -ATOM 4031 C C . HIS F 3 159 . 58.139 68.524 14.441 1.00 46.4 ? C HIS B 159 1 -ATOM 4032 O O . HIS F 3 159 . 57.165 69.284 14.555 1.00 40.91 ? O HIS B 159 1 -ATOM 4033 C CB . HIS F 3 159 . 57.866 66.743 12.726 1.00 46.27 ? CB HIS B 159 1 -ATOM 4034 C CG . HIS F 3 159 . 59.066 67.176 11.945 1.00 55 ? CG HIS B 159 1 -ATOM 4035 N ND1 . HIS F 3 159 . 59.009 68.169 10.989 1.00 53.65 ? ND1 HIS B 159 1 -ATOM 4036 C CD2 . HIS F 3 159 . 60.344 66.723 11.944 1.00 55 ? CD2 HIS B 159 1 -ATOM 4037 C CE1 . HIS F 3 159 . 60.197 68.309 10.429 1.00 54.98 ? CE1 HIS B 159 1 -ATOM 4038 N NE2 . HIS F 3 159 . 61.025 67.444 10.990 1.00 55 ? NE2 HIS B 159 1 -ATOM 4039 N N . PRO F 3 160 . 59.399 68.952 14.550 1.00 44.57 ? N PRO B 160 1 -ATOM 4040 C CA . PRO F 3 160 . 59.632 70.383 14.673 1.00 46.27 ? CA PRO B 160 1 -ATOM 4041 C C . PRO F 3 160 . 58.796 71.180 13.693 1.00 47.62 ? C PRO B 160 1 -ATOM 4042 O O . PRO F 3 160 . 57.881 71.903 14.096 1.00 42.67 ? O PRO B 160 1 -ATOM 4043 C CB . PRO F 3 160 . 61.154 70.500 14.484 1.00 49.93 ? CB PRO B 160 1 -ATOM 4044 C CG . PRO F 3 160 . 61.561 69.150 13.850 1.00 44.48 ? CG PRO B 160 1 -ATOM 4045 C CD . PRO F 3 160 . 60.694 68.242 14.655 1.00 45.18 ? CD PRO B 160 1 -ATOM 4046 N N . ASP F 3 161 . 59.066 70.972 12.411 1.00 47.88 ? N ASP B 161 1 -ATOM 4047 C CA . ASP F 3 161 . 58.380 71.698 11.349 1.00 51.76 ? CA ASP B 161 1 -ATOM 4048 C C . ASP F 3 161 . 57.628 70.797 10.384 1.00 48.81 ? C ASP B 161 1 -ATOM 4049 O O . ASP F 3 161 . 58.151 70.392 9.354 1.00 50.04 ? O ASP B 161 1 -ATOM 4050 C CB . ASP F 3 161 . 59.406 72.557 10.585 1.00 53.23 ? CB ASP B 161 1 -ATOM 4051 C CG . ASP F 3 161 . 60.731 71.835 10.313 1.00 54.5 ? CG ASP B 161 1 -ATOM 4052 O OD1 . ASP F 3 161 . 61.110 70.922 11.084 1.00 55 ? OD1 ASP B 161 1 -ATOM 4053 O OD2 . ASP F 3 161 . 61.413 72.204 9.327 1.00 46.76 ? OD2 ASP B 161 1 -ATOM 4054 N N . GLY F 3 162 . 56.383 70.510 10.753 1.00 51.92 ? N GLY B 162 1 -ATOM 4055 C CA . GLY F 3 162 . 55.512 69.638 9.978 1.00 55 ? CA GLY B 162 1 -ATOM 4056 C C . GLY F 3 162 . 55.595 68.232 10.546 1.00 53.21 ? C GLY B 162 1 -ATOM 4057 O O . GLY F 3 162 . 56.650 67.598 10.457 1.00 54.57 ? O GLY B 162 1 -ATOM 4058 N N . MET F 3 163 . 54.503 67.717 11.099 1.00 49.86 ? N MET B 163 1 -ATOM 4059 C CA . MET F 3 163 . 54.551 66.403 11.744 1.00 52.68 ? CA MET B 163 1 -ATOM 4060 C C . MET F 3 163 . 55.250 65.317 10.867 1.00 47.7 ? C MET B 163 1 -ATOM 4061 O O . MET F 3 163 . 55.523 65.524 9.678 1.00 48.63 ? O MET B 163 1 -ATOM 4062 C CB . MET F 3 163 . 53.094 66.005 12.107 1.00 55 ? CB MET B 163 1 -ATOM 4063 C CG . MET F 3 163 . 52.847 65.613 13.614 1.00 55 ? CG MET B 163 1 -ATOM 4064 S SD . MET F 3 163 . 51.658 66.625 14.644 1.00 55 ? SD MET B 163 1 -ATOM 4065 C CE . MET F 3 163 . 50.143 65.568 14.809 1.00 46.43 ? CE MET B 163 1 -ATOM 4066 N N . GLN F 3 164 . 55.587 64.186 11.483 1.00 45.05 ? N GLN B 164 1 -ATOM 4067 C CA . GLN F 3 164 . 56.250 63.059 10.807 1.00 43.95 ? CA GLN B 164 1 -ATOM 4068 C C . GLN F 3 164 . 55.277 61.874 10.714 1.00 38.8 ? C GLN B 164 1 -ATOM 4069 O O . GLN F 3 164 . 54.162 61.981 11.192 1.00 38.75 ? O GLN B 164 1 -ATOM 4070 C CB . GLN F 3 164 . 57.496 62.639 11.615 1.00 48.68 ? CB GLN B 164 1 -ATOM 4071 C CG . GLN F 3 164 . 58.425 61.637 10.902 1.00 53.71 ? CG GLN B 164 1 -ATOM 4072 C CD . GLN F 3 164 . 59.448 60.940 11.809 1.00 55 ? CD GLN B 164 1 -ATOM 4073 O OE1 . GLN F 3 164 . 59.585 59.718 11.753 1.00 55 ? OE1 GLN B 164 1 -ATOM 4074 N NE2 . GLN F 3 164 . 60.168 61.701 12.630 1.00 54.88 ? NE2 GLN B 164 1 -ATOM 4075 N N . ILE F 3 165 . 55.668 60.766 10.087 1.00 39.47 ? N ILE B 165 1 -ATOM 4076 C CA . ILE F 3 165 . 54.848 59.541 10.067 1.00 38.7 ? CA ILE B 165 1 -ATOM 4077 C C . ILE F 3 165 . 55.505 58.363 9.356 1.00 42.11 ? C ILE B 165 1 -ATOM 4078 O O . ILE F 3 165 . 56.317 58.519 8.432 1.00 40.68 ? O ILE B 165 1 -ATOM 4079 C CB . ILE F 3 165 . 53.459 59.695 9.359 1.00 37.04 ? CB ILE B 165 1 -ATOM 4080 C CG1 . ILE F 3 165 . 53.525 60.791 8.302 1.00 38.07 ? CG1 ILE B 165 1 -ATOM 4081 C CG2 . ILE F 3 165 . 52.397 59.929 10.390 1.00 31.08 ? CG2 ILE B 165 1 -ATOM 4082 C CD1 . ILE F 3 165 . 52.279 60.817 7.436 1.00 33.42 ? CD1 ILE B 165 1 -ATOM 4083 N N . LYS F 3 166 . 55.144 57.160 9.798 1.00 43.75 ? N LYS B 166 1 -ATOM 4084 C CA . LYS F 3 166 . 55.686 55.965 9.170 1.00 47.5 ? CA LYS B 166 1 -ATOM 4085 C C . LYS F 3 166 . 54.650 55.228 8.317 1.00 44.84 ? C LYS B 166 1 -ATOM 4086 O O . LYS F 3 166 . 53.716 54.611 8.843 1.00 50.95 ? O LYS B 166 1 -ATOM 4087 C CB . LYS F 3 166 . 56.245 55.005 10.245 1.00 47.59 ? CB LYS B 166 1 -ATOM 4088 C CG . LYS F 3 166 . 57.686 55.344 10.697 1.00 49.51 ? CG LYS B 166 1 -ATOM 4089 C CD . LYS F 3 166 . 58.351 54.263 11.567 1.00 46.92 ? CD LYS B 166 1 -ATOM 4090 C CE . LYS F 3 166 . 59.844 54.562 11.843 1.00 45.09 ? CE LYS B 166 1 -ATOM 4091 N NZ . LYS F 3 166 . 60.114 55.861 12.545 1.00 42.81 ? NZ LYS B 166 1 -ATOM 4092 N N . ILE F 3 167 . 54.787 55.324 6.996 1.00 42.84 ? N ILE B 167 1 -ATOM 4093 C CA . ILE F 3 167 . 53.883 54.597 6.088 1.00 37.44 ? CA ILE B 167 1 -ATOM 4094 C C . ILE F 3 167 . 54.693 54.168 4.864 1.00 33.72 ? C ILE B 167 1 -ATOM 4095 O O . ILE F 3 167 . 55.668 54.814 4.513 1.00 28.89 ? O ILE B 167 1 -ATOM 4096 C CB . ILE F 3 167 . 52.654 55.497 5.634 1.00 28.54 ? CB ILE B 167 1 -ATOM 4097 C CG1 . ILE F 3 167 . 51.650 54.670 4.830 1.00 16.11 ? CG1 ILE B 167 1 -ATOM 4098 C CG2 . ILE F 3 167 . 53.118 56.624 4.818 1.00 23.25 ? CG2 ILE B 167 1 -ATOM 4099 C CD1 . ILE F 3 167 . 50.659 53.871 5.696 1.00 18.41 ? CD1 ILE B 167 1 -ATOM 4100 N N . THR F 3 168 . 54.336 53.032 4.283 1.00 30.38 ? N THR B 168 1 -ATOM 4101 C CA . THR F 3 168 . 55.007 52.518 3.096 1.00 29.2 ? CA THR B 168 1 -ATOM 4102 C C . THR F 3 168 . 54.283 53.040 1.879 1.00 28.14 ? C THR B 168 1 -ATOM 4103 O O . THR F 3 168 . 53.057 53.222 1.946 1.00 29.74 ? O THR B 168 1 -ATOM 4104 C CB . THR F 3 168 . 54.975 50.942 3.031 1.00 34.9 ? CB THR B 168 1 -ATOM 4105 O OG1 . THR F 3 168 . 53.696 50.484 3.520 1.00 38.08 ? OG1 THR B 168 1 -ATOM 4106 C CG2 . THR F 3 168 . 56.127 50.314 3.840 1.00 31.41 ? CG2 THR B 168 1 -ATOM 4107 N N . ARG F 3 169 . 54.996 53.268 0.773 1.00 18.87 ? N ARG B 169 1 -ATOM 4108 C CA . ARG F 3 169 . 54.295 53.668 -0.445 1.00 15.33 ? CA ARG B 169 1 -ATOM 4109 C C . ARG F 3 169 . 53.244 52.570 -0.811 1.00 17.77 ? C ARG B 169 1 -ATOM 4110 O O . ARG F 3 169 . 52.151 52.828 -1.386 1.00 16.18 ? O ARG B 169 1 -ATOM 4111 C CB . ARG F 3 169 . 55.295 53.852 -1.577 1.00 16.77 ? CB ARG B 169 1 -ATOM 4112 C CG . ARG F 3 169 . 56.111 55.106 -1.384 1.00 29.63 ? CG ARG B 169 1 -ATOM 4113 C CD . ARG F 3 169 . 57.513 54.870 -0.805 1.00 36.28 ? CD ARG B 169 1 -ATOM 4114 N NE . ARG F 3 169 . 58.067 56.128 -0.303 1.00 41.15 ? NE ARG B 169 1 -ATOM 4115 C CZ . ARG F 3 169 . 59.200 56.238 0.379 1.00 44.31 ? CZ ARG B 169 1 -ATOM 4116 N NH1 . ARG F 3 169 . 59.920 55.159 0.635 1.00 44.6 ? NH1 ARG B 169 1 -ATOM 4117 N NH2 . ARG F 3 169 . 59.588 57.419 0.850 1.00 43.74 ? NH2 ARG B 169 1 -ATOM 4118 N N . GLN F 3 170 . 53.574 51.340 -0.424 1.00 12.48 ? N GLN B 170 1 -ATOM 4119 C CA . GLN F 3 170 . 52.676 50.217 -0.597 1.00 13.36 ? CA GLN B 170 1 -ATOM 4120 C C . GLN F 3 170 . 51.343 50.597 0.016 1.00 16.41 ? C GLN B 170 1 -ATOM 4121 O O . GLN F 3 170 . 50.290 50.573 -0.660 1.00 29.23 ? O GLN B 170 1 -ATOM 4122 C CB . GLN F 3 170 . 53.182 48.947 0.139 1.00 35.91 ? CB GLN B 170 1 -ATOM 4123 C CG . GLN F 3 170 . 54.393 48.133 -0.400 1.00 43.72 ? CG GLN B 170 1 -ATOM 4124 C CD . GLN F 3 170 . 54.011 47.032 -1.403 1.00 48.2 ? CD GLN B 170 1 -ATOM 4125 O OE1 . GLN F 3 170 . 52.829 46.673 -1.560 1.00 46.41 ? OE1 GLN B 170 1 -ATOM 4126 N NE2 . GLN F 3 170 . 55.022 46.490 -2.083 1.00 40.12 ? NE2 GLN B 170 1 -ATOM 4127 N N . GLU F 3 171 . 51.400 50.979 1.297 1.00 8.46 ? N GLU B 171 1 -ATOM 4128 C CA . GLU F 3 171 . 50.146 51.217 2.005 1.00 15.86 ? CA GLU B 171 1 -ATOM 4129 C C . GLU F 3 171 . 49.494 52.503 1.589 1.00 13.8 ? C GLU B 171 1 -ATOM 4130 O O . GLU F 3 171 . 48.265 52.550 1.483 1.00 13.97 ? O GLU B 171 1 -ATOM 4131 C CB . GLU F 3 171 . 50.369 51.183 3.557 1.00 25.85 ? CB GLU B 171 1 -ATOM 4132 C CG . GLU F 3 171 . 49.887 49.804 4.204 1.00 28.28 ? CG GLU B 171 1 -ATOM 4133 C CD . GLU F 3 171 . 49.919 49.711 5.761 1.00 32.91 ? CD GLU B 171 1 -ATOM 4134 O OE1 . GLU F 3 171 . 51.027 49.557 6.313 1.00 29.09 ? OE1 GLU B 171 1 -ATOM 4135 O OE2 . GLU F 3 171 . 48.854 49.779 6.431 1.00 23.53 ? OE2 GLU B 171 1 -ATOM 4136 N N . ILE F 3 172 . 50.261 53.551 1.341 1.00 12.08 ? N ILE B 172 1 -ATOM 4137 C CA . ILE F 3 172 . 49.581 54.722 0.807 1.00 20.67 ? CA ILE B 172 1 -ATOM 4138 C C . ILE F 3 172 . 48.809 54.228 -0.436 1.00 19.31 ? C ILE B 172 1 -ATOM 4139 O O . ILE F 3 172 . 47.630 54.596 -0.614 1.00 15.43 ? O ILE B 172 1 -ATOM 4140 C CB . ILE F 3 172 . 50.589 55.817 0.411 1.00 12.92 ? CB ILE B 172 1 -ATOM 4141 C CG1 . ILE F 3 172 . 51.058 56.553 1.663 1.00 6 ? CG1 ILE B 172 1 -ATOM 4142 C CG2 . ILE F 3 172 . 49.940 56.812 -0.497 1.00 6 ? CG2 ILE B 172 1 -ATOM 4143 C CD1 . ILE F 3 172 . 52.449 57.085 1.423 1.00 8.92 ? CD1 ILE B 172 1 -ATOM 4144 N N . GLY F 3 173 . 49.462 53.344 -1.213 1.00 11.07 ? N GLY B 173 1 -ATOM 4145 C CA . GLY F 3 173 . 48.878 52.730 -2.393 1.00 9.77 ? CA GLY B 173 1 -ATOM 4146 C C . GLY F 3 173 . 47.495 52.089 -2.152 1.00 12.47 ? C GLY B 173 1 -ATOM 4147 O O . GLY F 3 173 . 46.672 52.043 -3.081 1.00 21.44 ? O GLY B 173 1 -ATOM 4148 N N . GLN F 3 174 . 47.186 51.591 -0.954 1.00 8.06 ? N GLN B 174 1 -ATOM 4149 C CA . GLN F 3 174 . 45.877 50.963 -0.764 1.00 6.47 ? CA GLN B 174 1 -ATOM 4150 C C . GLN F 3 174 . 44.845 51.812 -0.097 1.00 9.09 ? C GLN B 174 1 -ATOM 4151 O O . GLN F 3 174 . 43.764 51.343 0.153 1.00 20.74 ? O GLN B 174 1 -ATOM 4152 C CB . GLN F 3 174 . 46.039 49.695 0.018 1.00 25.19 ? CB GLN B 174 1 -ATOM 4153 C CG . GLN F 3 174 . 46.862 48.735 -0.771 1.00 35.9 ? CG GLN B 174 1 -ATOM 4154 C CD . GLN F 3 174 . 47.447 47.651 0.075 1.00 39.18 ? CD GLN B 174 1 -ATOM 4155 O OE1 . GLN F 3 174 . 47.793 47.877 1.241 1.00 42.67 ? OE1 GLN B 174 1 -ATOM 4156 N NE2 . GLN F 3 174 . 47.576 46.461 -0.501 1.00 39.84 ? NE2 GLN B 174 1 -ATOM 4157 N N . ILE F 3 175 . 45.187 53.061 0.190 1.00 22.9 ? N ILE B 175 1 -ATOM 4158 C CA . ILE F 3 175 . 44.270 54.054 0.761 1.00 23.85 ? CA ILE B 175 1 -ATOM 4159 C C . ILE F 3 175 . 43.796 54.894 -0.417 1.00 18.76 ? C ILE B 175 1 -ATOM 4160 O O . ILE F 3 175 . 42.598 55.052 -0.649 1.00 21.28 ? O ILE B 175 1 -ATOM 4161 C CB . ILE F 3 175 . 44.998 54.997 1.823 1.00 25.26 ? CB ILE B 175 1 -ATOM 4162 C CG1 . ILE F 3 175 . 45.595 54.171 2.949 1.00 19.72 ? CG1 ILE B 175 1 -ATOM 4163 C CG2 . ILE F 3 175 . 43.989 55.933 2.494 1.00 18.98 ? CG2 ILE B 175 1 -ATOM 4164 C CD1 . ILE F 3 175 . 46.489 54.943 3.821 1.00 22.33 ? CD1 ILE B 175 1 -ATOM 4165 N N . VAL F 3 176 . 44.777 55.441 -1.133 1.00 9.21 ? N VAL B 176 1 -ATOM 4166 C CA . VAL F 3 176 . 44.559 56.259 -2.310 1.00 12.86 ? CA VAL B 176 1 -ATOM 4167 C C . VAL F 3 176 . 44.077 55.399 -3.489 1.00 18.75 ? C VAL B 176 1 -ATOM 4168 O O . VAL F 3 176 . 43.288 55.872 -4.328 1.00 28.75 ? O VAL B 176 1 -ATOM 4169 C CB . VAL F 3 176 . 45.888 57.017 -2.672 1.00 26.09 ? CB VAL B 176 1 -ATOM 4170 C CG1 . VAL F 3 176 . 45.826 57.599 -4.060 1.00 33.4 ? CG1 VAL B 176 1 -ATOM 4171 C CG2 . VAL F 3 176 . 46.070 58.211 -1.734 1.00 28.55 ? CG2 VAL B 176 1 -ATOM 4172 N N . GLY F 3 177 . 44.532 54.150 -3.573 1.00 21.8 ? N GLY B 177 1 -ATOM 4173 C CA . GLY F 3 177 . 44.062 53.269 -4.640 1.00 20.39 ? CA GLY B 177 1 -ATOM 4174 C C . GLY F 3 177 . 44.802 53.414 -5.959 1.00 24.52 ? C GLY B 177 1 -ATOM 4175 O O . GLY F 3 177 . 44.238 53.710 -7.033 1.00 28.43 ? O GLY B 177 1 -ATOM 4176 N N . CYS F 3 178 . 46.100 53.196 -5.876 1.00 17.13 ? N CYS B 178 1 -ATOM 4177 C CA . CYS F 3 178 . 46.941 53.247 -7.025 1.00 21.82 ? CA CYS B 178 1 -ATOM 4178 C C . CYS F 3 178 . 48.079 52.322 -6.611 1.00 25.7 ? C CYS B 178 1 -ATOM 4179 O O . CYS F 3 178 . 47.865 51.536 -5.692 1.00 31.95 ? O CYS B 178 1 -ATOM 4180 C CB . CYS F 3 178 . 47.374 54.700 -7.257 1.00 20.48 ? CB CYS B 178 1 -ATOM 4181 S SG . CYS F 3 178 . 48.599 55.276 -6.141 1.00 16.84 ? SG CYS B 178 1 -ATOM 4182 N N . SER F 3 179 . 49.274 52.375 -7.183 1.00 31.13 ? N SER B 179 1 -ATOM 4183 C CA . SER F 3 179 . 50.249 51.371 -6.769 1.00 30.74 ? CA SER B 179 1 -ATOM 4184 C C . SER F 3 179 . 51.648 51.912 -6.408 1.00 31.06 ? C SER B 179 1 -ATOM 4185 O O . SER F 3 179 . 52.104 52.909 -6.958 1.00 33.3 ? O SER B 179 1 -ATOM 4186 C CB . SER F 3 179 . 50.335 50.352 -7.888 1.00 21.67 ? CB SER B 179 1 -ATOM 4187 O OG . SER F 3 179 . 50.587 51.073 -9.080 1.00 22.31 ? OG SER B 179 1 -ATOM 4188 N N . ARG F 3 180 . 52.311 51.200 -5.485 1.00 21.65 ? N ARG B 180 1 -ATOM 4189 C CA . ARG F 3 180 . 53.624 51.517 -4.925 1.00 18.58 ? CA ARG B 180 1 -ATOM 4190 C C . ARG F 3 180 . 54.494 52.367 -5.803 1.00 19.51 ? C ARG B 180 1 -ATOM 4191 O O . ARG F 3 180 . 55.089 53.320 -5.305 1.00 26.75 ? O ARG B 180 1 -ATOM 4192 C CB . ARG F 3 180 . 54.391 50.229 -4.595 1.00 25.48 ? CB ARG B 180 1 -ATOM 4193 C CG . ARG F 3 180 . 55.896 50.358 -4.189 1.00 25.36 ? CG ARG B 180 1 -ATOM 4194 C CD . ARG F 3 180 . 56.785 49.704 -5.263 1.00 28.95 ? CD ARG B 180 1 -ATOM 4195 N NE . ARG F 3 180 . 56.224 48.398 -5.644 1.00 31.11 ? NE ARG B 180 1 -ATOM 4196 C CZ . ARG F 3 180 . 56.695 47.602 -6.603 1.00 36.39 ? CZ ARG B 180 1 -ATOM 4197 N NH1 . ARG F 3 180 . 57.763 47.956 -7.321 1.00 34.17 ? NH1 ARG B 180 1 -ATOM 4198 N NH2 . ARG F 3 180 . 56.097 46.437 -6.831 1.00 26.47 ? NH2 ARG B 180 1 -ATOM 4199 N N . GLU F 3 181 . 54.588 52.048 -7.091 1.00 27.47 ? N GLU B 181 1 -ATOM 4200 C CA . GLU F 3 181 . 55.482 52.837 -7.896 1.00 30.69 ? CA GLU B 181 1 -ATOM 4201 C C . GLU F 3 181 . 54.861 54.168 -8.350 1.00 33.28 ? C GLU B 181 1 -ATOM 4202 O O . GLU F 3 181 . 55.584 55.175 -8.400 1.00 36.38 ? O GLU B 181 1 -ATOM 4203 C CB . GLU F 3 181 . 55.959 51.984 -9.092 1.00 33 ? CB GLU B 181 1 -ATOM 4204 C CG . GLU F 3 181 . 54.976 51.468 -10.089 1.00 37.12 ? CG GLU B 181 1 -ATOM 4205 C CD . GLU F 3 181 . 54.299 50.183 -9.675 1.00 41.4 ? CD GLU B 181 1 -ATOM 4206 O OE1 . GLU F 3 181 . 54.664 49.109 -10.213 1.00 44.2 ? OE1 GLU B 181 1 -ATOM 4207 O OE2 . GLU F 3 181 . 53.381 50.262 -8.835 1.00 40.74 ? OE2 GLU B 181 1 -ATOM 4208 N N . THR F 3 182 . 53.557 54.207 -8.658 1.00 30.41 ? N THR B 182 1 -ATOM 4209 C CA . THR F 3 182 . 52.921 55.478 -9.041 1.00 32.58 ? CA THR B 182 1 -ATOM 4210 C C . THR F 3 182 . 52.899 56.320 -7.775 1.00 34.76 ? C THR B 182 1 -ATOM 4211 O O . THR F 3 182 . 53.149 57.522 -7.789 1.00 33.62 ? O THR B 182 1 -ATOM 4212 C CB . THR F 3 182 . 51.432 55.359 -9.514 1.00 32.86 ? CB THR B 182 1 -ATOM 4213 O OG1 . THR F 3 182 . 51.059 53.995 -9.756 1.00 35.48 ? OG1 THR B 182 1 -ATOM 4214 C CG2 . THR F 3 182 . 51.263 56.138 -10.807 1.00 35.28 ? CG2 THR B 182 1 -ATOM 4215 N N . VAL F 3 183 . 52.569 55.666 -6.669 1.00 41.32 ? N VAL B 183 1 -ATOM 4216 C CA . VAL F 3 183 . 52.654 56.328 -5.382 1.00 43.36 ? CA VAL B 183 1 -ATOM 4217 C C . VAL F 3 183 . 54.082 56.882 -5.294 1.00 39.2 ? C VAL B 183 1 -ATOM 4218 O O . VAL F 3 183 . 54.313 57.985 -4.802 1.00 41.26 ? O VAL B 183 1 -ATOM 4219 C CB . VAL F 3 183 . 52.445 55.343 -4.219 1.00 43.44 ? CB VAL B 183 1 -ATOM 4220 C CG1 . VAL F 3 183 . 52.669 56.085 -2.891 1.00 41.92 ? CG1 VAL B 183 1 -ATOM 4221 C CG2 . VAL F 3 183 . 51.043 54.732 -4.303 1.00 33.99 ? CG2 VAL B 183 1 -ATOM 4222 N N . GLY F 3 184 . 55.011 56.073 -5.800 1.00 27.28 ? N GLY B 184 1 -ATOM 4223 C CA . GLY F 3 184 . 56.416 56.413 -5.845 1.00 25.5 ? CA GLY B 184 1 -ATOM 4224 C C . GLY F 3 184 . 56.670 57.720 -6.566 1.00 31.25 ? C GLY B 184 1 -ATOM 4225 O O . GLY F 3 184 . 56.583 58.783 -5.962 1.00 34.83 ? O GLY B 184 1 -ATOM 4226 N N . ARG F 3 185 . 56.953 57.667 -7.858 1.00 34.77 ? N ARG B 185 1 -ATOM 4227 C CA . ARG F 3 185 . 57.264 58.879 -8.613 1.00 36.7 ? CA ARG B 185 1 -ATOM 4228 C C . ARG F 3 185 . 56.417 60.106 -8.243 1.00 35.62 ? C ARG B 185 1 -ATOM 4229 O O . ARG F 3 185 . 56.922 61.227 -8.269 1.00 34.08 ? O ARG B 185 1 -ATOM 4230 C CB . ARG F 3 185 . 57.136 58.558 -10.107 1.00 36.55 ? CB ARG B 185 1 -ATOM 4231 C CG . ARG F 3 185 . 55.874 57.841 -10.518 1.00 35 ? CG ARG B 185 1 -ATOM 4232 C CD . ARG F 3 185 . 56.056 57.178 -11.868 1.00 39.34 ? CD ARG B 185 1 -ATOM 4233 N NE . ARG F 3 185 . 54.815 56.566 -12.324 1.00 40.91 ? NE ARG B 185 1 -ATOM 4234 C CZ . ARG F 3 185 . 54.744 55.464 -13.065 1.00 37.15 ? CZ ARG B 185 1 -ATOM 4235 N NH1 . ARG F 3 185 . 55.856 54.831 -13.444 1.00 32.13 ? NH1 ARG B 185 1 -ATOM 4236 N NH2 . ARG F 3 185 . 53.546 55.006 -13.425 1.00 29.06 ? NH2 ARG B 185 1 -ATOM 4237 N N . ILE F 3 186 . 55.159 59.922 -7.867 1.00 38.86 ? N ILE B 186 1 -ATOM 4238 C CA . ILE F 3 186 . 54.361 61.075 -7.451 1.00 40.99 ? CA ILE B 186 1 -ATOM 4239 C C . ILE F 3 186 . 54.889 61.692 -6.119 1.00 41.95 ? C ILE B 186 1 -ATOM 4240 O O . ILE F 3 186 . 55.185 62.886 -6.071 1.00 42.2 ? O ILE B 186 1 -ATOM 4241 C CB . ILE F 3 186 . 52.847 60.682 -7.244 1.00 47.45 ? CB ILE B 186 1 -ATOM 4242 C CG1 . ILE F 3 186 . 52.233 60.168 -8.561 1.00 40.4 ? CG1 ILE B 186 1 -ATOM 4243 C CG2 . ILE F 3 186 . 52.073 61.903 -6.740 1.00 49.6 ? CG2 ILE B 186 1 -ATOM 4244 C CD1 . ILE F 3 186 . 52.207 61.141 -9.731 1.00 47.64 ? CD1 ILE B 186 1 -ATOM 4245 N N . LEU F 3 187 . 55.038 60.882 -5.065 1.00 38.26 ? N LEU B 187 1 -ATOM 4246 C CA . LEU F 3 187 . 55.463 61.351 -3.730 1.00 37.04 ? CA LEU B 187 1 -ATOM 4247 C C . LEU F 3 187 . 56.674 62.264 -3.852 1.00 36.26 ? C LEU B 187 1 -ATOM 4248 O O . LEU F 3 187 . 56.738 63.355 -3.270 1.00 32.95 ? O LEU B 187 1 -ATOM 4249 C CB . LEU F 3 187 . 55.833 60.151 -2.819 1.00 31.61 ? CB LEU B 187 1 -ATOM 4250 C CG . LEU F 3 187 . 56.004 60.245 -1.292 1.00 24.23 ? CG LEU B 187 1 -ATOM 4251 C CD1 . LEU F 3 187 . 54.754 59.812 -0.610 1.00 18.62 ? CD1 LEU B 187 1 -ATOM 4252 C CD2 . LEU F 3 187 . 57.038 59.274 -0.814 1.00 29.55 ? CD2 LEU B 187 1 -ATOM 4253 N N . LYS F 3 188 . 57.635 61.779 -4.625 1.00 35.43 ? N LYS B 188 1 -ATOM 4254 C CA . LYS F 3 188 . 58.869 62.496 -4.868 1.00 41.66 ? CA LYS B 188 1 -ATOM 4255 C C . LYS F 3 188 . 58.475 63.858 -5.447 1.00 40.97 ? C LYS B 188 1 -ATOM 4256 O O . LYS F 3 188 . 58.894 64.879 -4.910 1.00 37.09 ? O LYS B 188 1 -ATOM 4257 C CB . LYS F 3 188 . 59.744 61.702 -5.867 1.00 43.86 ? CB LYS B 188 1 -ATOM 4258 C CG . LYS F 3 188 . 61.249 62.046 -5.919 1.00 40.33 ? CG LYS B 188 1 -ATOM 4259 C CD . LYS F 3 188 . 62.052 61.308 -4.862 1.00 37.47 ? CD LYS B 188 1 -ATOM 4260 C CE . LYS F 3 188 . 61.807 59.787 -4.998 1.00 47.66 ? CE LYS B 188 1 -ATOM 4261 N NZ . LYS F 3 188 . 61.869 59.230 -6.412 1.00 36.95 ? NZ LYS B 188 1 -ATOM 4262 N N . MET F 3 189 . 57.638 63.877 -6.492 1.00 40.16 ? N MET B 189 1 -ATOM 4263 C CA . MET F 3 189 . 57.172 65.124 -7.106 1.00 38.35 ? CA MET B 189 1 -ATOM 4264 C C . MET F 3 189 . 56.513 66.071 -6.091 1.00 39.66 ? C MET B 189 1 -ATOM 4265 O O . MET F 3 189 . 55.956 67.104 -6.468 1.00 43.9 ? O MET B 189 1 -ATOM 4266 C CB . MET F 3 189 . 56.161 64.831 -8.198 1.00 43.69 ? CB MET B 189 1 -ATOM 4267 C CG . MET F 3 189 . 56.691 63.989 -9.317 1.00 43.93 ? CG MET B 189 1 -ATOM 4268 S SD . MET F 3 189 . 55.268 63.547 -10.339 1.00 51.99 ? SD MET B 189 1 -ATOM 4269 C CE . MET F 3 189 . 56.100 63.229 -11.881 1.00 46.57 ? CE MET B 189 1 -ATOM 4270 N N . LEU F 3 190 . 56.539 65.681 -4.819 1.00 38.63 ? N LEU B 190 1 -ATOM 4271 C CA . LEU F 3 190 . 56.041 66.456 -3.700 1.00 34.94 ? CA LEU B 190 1 -ATOM 4272 C C . LEU F 3 190 . 57.226 66.995 -2.959 1.00 33.73 ? C LEU B 190 1 -ATOM 4273 O O . LEU F 3 190 . 57.230 68.144 -2.554 1.00 31.32 ? O LEU B 190 1 -ATOM 4274 C CB . LEU F 3 190 . 55.235 65.581 -2.770 1.00 32.64 ? CB LEU B 190 1 -ATOM 4275 C CG . LEU F 3 190 . 54.063 65.045 -3.569 1.00 35.13 ? CG LEU B 190 1 -ATOM 4276 C CD1 . LEU F 3 190 . 53.464 63.856 -2.901 1.00 33.11 ? CD1 LEU B 190 1 -ATOM 4277 C CD2 . LEU F 3 190 . 53.072 66.154 -3.731 1.00 27.12 ? CD2 LEU B 190 1 -ATOM 4278 N N . GLU F 3 191 . 58.217 66.136 -2.755 1.00 38.97 ? N GLU B 191 1 -ATOM 4279 C CA . GLU F 3 191 . 59.443 66.529 -2.076 1.00 45.76 ? CA GLU B 191 1 -ATOM 4280 C C . GLU F 3 191 . 60.012 67.655 -2.931 1.00 48.67 ? C GLU B 191 1 -ATOM 4281 O O . GLU F 3 191 . 60.276 68.753 -2.437 1.00 49.59 ? O GLU B 191 1 -ATOM 4282 C CB . GLU F 3 191 . 60.431 65.318 -1.992 1.00 50.13 ? CB GLU B 191 1 -ATOM 4283 C CG . GLU F 3 191 . 61.186 65.114 -0.604 1.00 53.77 ? CG GLU B 191 1 -ATOM 4284 C CD . GLU F 3 191 . 62.091 63.835 -0.466 1.00 54.77 ? CD GLU B 191 1 -ATOM 4285 O OE1 . GLU F 3 191 . 63.248 63.964 0.016 1.00 46.67 ? OE1 GLU B 191 1 -ATOM 4286 O OE2 . GLU F 3 191 . 61.648 62.703 -0.811 1.00 55 ? OE2 GLU B 191 1 -ATOM 4287 N N . ASP F 3 192 . 60.153 67.379 -4.231 1.00 50.03 ? N ASP B 192 1 -ATOM 4288 C CA . ASP F 3 192 . 60.635 68.362 -5.212 1.00 47.15 ? CA ASP B 192 1 -ATOM 4289 C C . ASP F 3 192 . 59.772 69.611 -5.031 1.00 47.27 ? C ASP B 192 1 -ATOM 4290 O O . ASP F 3 192 . 60.178 70.615 -4.428 1.00 38.77 ? O ASP B 192 1 -ATOM 4291 C CB . ASP F 3 192 . 60.471 67.809 -6.650 1.00 38.43 ? CB ASP B 192 1 -ATOM 4292 C CG . ASP F 3 192 . 61.761 67.826 -7.448 1.00 38.49 ? CG ASP B 192 1 -ATOM 4293 O OD1 . ASP F 3 192 . 61.719 67.575 -8.669 1.00 43.61 ? OD1 ASP B 192 1 -ATOM 4294 O OD2 . ASP F 3 192 . 62.828 68.080 -6.851 1.00 52.1 ? OD2 ASP B 192 1 -ATOM 4295 N N . GLN F 3 193 . 58.535 69.493 -5.502 1.00 46.12 ? N GLN B 193 1 -ATOM 4296 C CA . GLN F 3 193 . 57.569 70.559 -5.404 1.00 40.91 ? CA GLN B 193 1 -ATOM 4297 C C . GLN F 3 193 . 57.729 71.210 -4.028 1.00 41.74 ? C GLN B 193 1 -ATOM 4298 O O . GLN F 3 193 . 57.405 72.373 -3.851 1.00 48.75 ? O GLN B 193 1 -ATOM 4299 C CB . GLN F 3 193 . 56.195 69.958 -5.602 1.00 48.51 ? CB GLN B 193 1 -ATOM 4300 C CG . GLN F 3 193 . 55.114 70.958 -5.956 1.00 55 ? CG GLN B 193 1 -ATOM 4301 C CD . GLN F 3 193 . 53.752 70.303 -5.981 1.00 55 ? CD GLN B 193 1 -ATOM 4302 O OE1 . GLN F 3 193 . 52.772 70.876 -6.472 1.00 55 ? OE1 GLN B 193 1 -ATOM 4303 N NE2 . GLN F 3 193 . 53.684 69.081 -5.450 1.00 55 ? NE2 GLN B 193 1 -ATOM 4304 N N . ASN F 3 194 . 58.198 70.418 -3.059 1.00 43.98 ? N ASN B 194 1 -ATOM 4305 C CA . ASN F 3 194 . 58.579 70.871 -1.718 1.00 47.59 ? CA ASN B 194 1 -ATOM 4306 C C . ASN F 3 194 . 57.457 70.854 -0.669 1.00 47.71 ? C ASN B 194 1 -ATOM 4307 O O . ASN F 3 194 . 57.616 71.614 0.287 1.00 54.83 ? O ASN B 194 1 -ATOM 4308 C CB . ASN F 3 194 . 59.143 72.282 -1.774 1.00 50.86 ? CB ASN B 194 1 -ATOM 4309 C CG . ASN F 3 194 . 60.604 72.282 -2.039 1.00 55 ? CG ASN B 194 1 -ATOM 4310 O OD1 . ASN F 3 194 . 61.114 72.928 -2.971 1.00 55 ? OD1 ASN B 194 1 -ATOM 4311 N ND2 . ASN F 3 194 . 61.313 71.540 -1.198 1.00 51.89 ? ND2 ASN B 194 1 -ATOM 4312 N N . LEU F 3 195 . 56.366 70.091 -0.707 1.00 49.01 ? N LEU B 195 1 -ATOM 4313 C CA . LEU F 3 195 . 55.512 70.215 0.484 1.00 48.13 ? CA LEU B 195 1 -ATOM 4314 C C . LEU F 3 195 . 55.727 69.072 1.525 1.00 48.85 ? C LEU B 195 1 -ATOM 4315 O O . LEU F 3 195 . 55.096 69.051 2.584 1.00 47.31 ? O LEU B 195 1 -ATOM 4316 C CB . LEU F 3 195 . 54.031 70.276 0.061 1.00 46.71 ? CB LEU B 195 1 -ATOM 4317 C CG . LEU F 3 195 . 53.349 69.173 -0.748 1.00 50.73 ? CG LEU B 195 1 -ATOM 4318 C CD1 . LEU F 3 195 . 53.373 67.801 -0.054 1.00 55 ? CD1 LEU B 195 1 -ATOM 4319 C CD2 . LEU F 3 195 . 51.904 69.609 -0.895 1.00 46.79 ? CD2 LEU B 195 1 -ATOM 4320 N N . ILE F 3 196 . 56.634 68.141 1.229 1.00 49.61 ? N ILE B 196 1 -ATOM 4321 C CA . ILE F 3 196 . 56.953 67.025 2.135 1.00 47.78 ? CA ILE B 196 1 -ATOM 4322 C C . ILE F 3 196 . 58.400 66.625 1.910 1.00 49.78 ? C ILE B 196 1 -ATOM 4323 O O . ILE F 3 196 . 58.986 67.026 0.917 1.00 43.69 ? O ILE B 196 1 -ATOM 4324 C CB . ILE F 3 196 . 56.091 65.742 1.865 1.00 46.51 ? CB ILE B 196 1 -ATOM 4325 C CG1 . ILE F 3 196 . 56.503 64.616 2.822 1.00 41.92 ? CG1 ILE B 196 1 -ATOM 4326 C CG2 . ILE F 3 196 . 56.347 65.223 0.446 1.00 43.91 ? CG2 ILE B 196 1 -ATOM 4327 C CD1 . ILE F 3 196 . 55.802 63.289 2.591 1.00 33.72 ? CD1 ILE B 196 1 -ATOM 4328 N N . SER F 3 197 . 58.957 65.851 2.837 1.00 48.99 ? N SER B 197 1 -ATOM 4329 C CA . SER F 3 197 . 60.305 65.270 2.742 1.00 48.63 ? CA SER B 197 1 -ATOM 4330 C C . SER F 3 197 . 60.117 63.795 3.174 1.00 49.79 ? C SER B 197 1 -ATOM 4331 O O . SER F 3 197 . 59.284 63.550 4.059 1.00 53.36 ? O SER B 197 1 -ATOM 4332 C CB . SER F 3 197 . 61.279 66.010 3.697 1.00 50.39 ? CB SER B 197 1 -ATOM 4333 O OG . SER F 3 197 . 61.608 67.334 3.256 1.00 48.61 ? OG SER B 197 1 -ATOM 4334 N N . ALA F 3 198 . 60.828 62.825 2.575 1.00 43.28 ? N ALA B 198 1 -ATOM 4335 C CA . ALA F 3 198 . 60.637 61.415 2.956 1.00 39.32 ? CA ALA B 198 1 -ATOM 4336 C C . ALA F 3 198 . 61.842 60.507 2.692 1.00 43.21 ? C ALA B 198 1 -ATOM 4337 O O . ALA F 3 198 . 62.731 60.797 1.869 1.00 40.26 ? O ALA B 198 1 -ATOM 4338 C CB . ALA F 3 198 . 59.431 60.851 2.225 1.00 29.81 ? CB ALA B 198 1 -ATOM 4339 N N . HIS F 3 199 . 61.817 59.379 3.408 1.00 49.57 ? N HIS B 199 1 -ATOM 4340 C CA . HIS F 3 199 . 62.865 58.335 3.442 1.00 49.87 ? CA HIS B 199 1 -ATOM 4341 C C . HIS F 3 199 . 62.328 57.303 4.517 1.00 46.31 ? C HIS B 199 1 -ATOM 4342 O O . HIS F 3 199 . 62.615 57.443 5.725 1.00 47.21 ? O HIS B 199 1 -ATOM 4343 C CB . HIS F 3 199 . 64.201 59.055 3.858 1.00 49.82 ? CB HIS B 199 1 -ATOM 4344 C CG . HIS F 3 199 . 65.492 58.280 3.690 1.00 49.46 ? CG HIS B 199 1 -ATOM 4345 N ND1 . HIS F 3 199 . 66.223 57.792 4.761 1.00 47.28 ? ND1 HIS B 199 1 -ATOM 4346 C CD2 . HIS F 3 199 . 66.227 57.991 2.586 1.00 49.96 ? CD2 HIS B 199 1 -ATOM 4347 C CE1 . HIS F 3 199 . 67.346 57.247 4.328 1.00 42.58 ? CE1 HIS B 199 1 -ATOM 4348 N NE2 . HIS F 3 199 . 67.374 57.355 3.010 1.00 43.95 ? NE2 HIS B 199 1 -ATOM 4349 N N . GLY F 3 200 . 61.501 56.333 4.075 1.00 40.1 ? N GLY B 200 1 -ATOM 4350 C CA . GLY F 3 200 . 60.906 55.308 4.941 1.00 27.33 ? CA GLY B 200 1 -ATOM 4351 C C . GLY F 3 200 . 59.804 55.903 5.808 1.00 34.99 ? C GLY B 200 1 -ATOM 4352 O O . GLY F 3 200 . 58.694 55.374 5.952 1.00 36.63 ? O GLY B 200 1 -ATOM 4353 N N . LYS F 3 201 . 60.166 56.999 6.460 1.00 42.07 ? N LYS B 201 1 -ATOM 4354 C CA . LYS F 3 201 . 59.255 57.809 7.245 1.00 44.42 ? CA LYS B 201 1 -ATOM 4355 C C . LYS F 3 201 . 58.840 58.965 6.324 1.00 44.63 ? C LYS B 201 1 -ATOM 4356 O O . LYS F 3 201 . 59.532 59.247 5.341 1.00 49.47 ? O LYS B 201 1 -ATOM 4357 C CB . LYS F 3 201 . 59.985 58.344 8.479 1.00 48.26 ? CB LYS B 201 1 -ATOM 4358 C CG . LYS F 3 201 . 61.251 59.136 8.167 1.00 46.18 ? CG LYS B 201 1 -ATOM 4359 C CD . LYS F 3 201 . 61.700 59.966 9.380 1.00 50.97 ? CD LYS B 201 1 -ATOM 4360 C CE . LYS F 3 201 . 62.794 60.968 8.965 1.00 55 ? CE LYS B 201 1 -ATOM 4361 N NZ . LYS F 3 201 . 63.147 62.022 9.974 1.00 46.95 ? NZ LYS B 201 1 -ATOM 4362 N N . THR F 3 202 . 57.756 59.658 6.623 1.00 42.59 ? N THR B 202 1 -ATOM 4363 C CA . THR F 3 202 . 57.340 60.779 5.784 1.00 45.69 ? CA THR B 202 1 -ATOM 4364 C C . THR F 3 202 . 57.162 62.028 6.632 1.00 45.33 ? C THR B 202 1 -ATOM 4365 O O . THR F 3 202 . 56.354 62.056 7.567 1.00 48.13 ? O THR B 202 1 -ATOM 4366 C CB . THR F 3 202 . 56.002 60.461 5.045 1.00 45.9 ? CB THR B 202 1 -ATOM 4367 O OG1 . THR F 3 202 . 55.101 59.797 5.945 1.00 47.06 ? OG1 THR B 202 1 -ATOM 4368 C CG2 . THR F 3 202 . 56.269 59.591 3.815 1.00 45.47 ? CG2 THR B 202 1 -ATOM 4369 N N . ILE F 3 203 . 57.964 63.045 6.337 1.00 38.83 ? N ILE B 203 1 -ATOM 4370 C CA . ILE F 3 203 . 57.878 64.274 7.088 1.00 34.33 ? CA ILE B 203 1 -ATOM 4371 C C . ILE F 3 203 . 57.026 65.299 6.378 1.00 36.07 ? C ILE B 203 1 -ATOM 4372 O O . ILE F 3 203 . 57.440 65.905 5.369 1.00 30.72 ? O ILE B 203 1 -ATOM 4373 C CB . ILE F 3 203 . 59.219 64.928 7.304 1.00 39.32 ? CB ILE B 203 1 -ATOM 4374 C CG1 . ILE F 3 203 . 60.180 63.980 8.028 1.00 39.91 ? CG1 ILE B 203 1 -ATOM 4375 C CG2 . ILE F 3 203 . 58.985 66.201 8.105 1.00 37.86 ? CG2 ILE B 203 1 -ATOM 4376 C CD1 . ILE F 3 203 . 60.711 62.811 7.197 1.00 35.03 ? CD1 ILE B 203 1 -ATOM 4377 N N . VAL F 3 204 . 55.822 65.479 6.898 1.00 36.43 ? N VAL B 204 1 -ATOM 4378 C CA . VAL F 3 204 . 54.939 66.465 6.325 1.00 44.34 ? CA VAL B 204 1 -ATOM 4379 C C . VAL F 3 204 . 55.540 67.795 6.706 1.00 47.25 ? C VAL B 204 1 -ATOM 4380 O O . VAL F 3 204 . 56.210 67.871 7.742 1.00 53.56 ? O VAL B 204 1 -ATOM 4381 C CB . VAL F 3 204 . 53.520 66.440 6.924 1.00 47.34 ? CB VAL B 204 1 -ATOM 4382 C CG1 . VAL F 3 204 . 53.528 67.148 8.292 1.00 38.4 ? CG1 VAL B 204 1 -ATOM 4383 C CG2 . VAL F 3 204 . 52.546 67.137 5.979 1.00 48.02 ? CG2 VAL B 204 1 -ATOM 4384 N N . VAL F 3 205 . 55.358 68.816 5.878 1.00 45.13 ? N VAL B 205 1 -ATOM 4385 C CA . VAL F 3 205 . 55.792 70.158 6.279 1.00 44.73 ? CA VAL B 205 1 -ATOM 4386 C C . VAL F 3 205 . 54.468 70.987 6.231 1.00 44.05 ? C VAL B 205 1 -ATOM 4387 O O . VAL F 3 205 . 53.372 70.375 6.486 1.00 31.19 ? O VAL B 205 1 -ATOM 4388 C CB . VAL F 3 205 . 56.902 70.804 5.278 1.00 33.7 ? CB VAL B 205 1 -ATOM 4389 C CG1 . VAL F 3 205 . 57.437 72.095 5.886 1.00 36.67 ? CG1 VAL B 205 1 -ATOM 4390 C CG2 . VAL F 3 205 . 58.117 69.915 5.115 1.00 27.64 ? CG2 VAL B 205 1 -HETATM 4391 P P . CMP G 4 . . 23.446 66.059 7.025 1.00 21.21 ? P CMP A 762 1 -HETATM 4392 O O1P . CMP G 4 . . 24.861 65.799 6.725 1.00 16.95 ? O1P CMP A 762 1 -HETATM 4393 O O2P . CMP G 4 . . 23.112 66.994 8.149 1.00 26.22 ? O2P CMP A 762 1 -HETATM 4394 O "O5'" . CMP G 4 . . 22.849 66.716 5.697 1.00 26.51 ? "O5'" CMP A 762 1 -HETATM 4395 C "C5'" . CMP G 4 . . 22.696 65.967 4.459 1.00 24.11 ? "C5'" CMP A 762 1 -HETATM 4396 C "C4'" . CMP G 4 . . 22.122 64.593 4.720 1.00 19.73 ? "C4'" CMP A 762 1 -HETATM 4397 O "O4'" . CMP G 4 . . 22.430 63.679 3.642 1.00 19.87 ? "O4'" CMP A 762 1 -HETATM 4398 C "C3'" . CMP G 4 . . 22.777 63.849 5.855 1.00 23.16 ? "C3'" CMP A 762 1 -HETATM 4399 O "O3'" . CMP G 4 . . 22.698 64.643 7.044 1.00 16.35 ? "O3'" CMP A 762 1 -HETATM 4400 C "C2'" . CMP G 4 . . 22.150 62.475 5.657 1.00 15.69 ? "C2'" CMP A 762 1 -HETATM 4401 C "C1'" . CMP G 4 . . 22.386 62.324 4.137 1.00 24.39 ? "C1'" CMP A 762 1 -HETATM 4402 N N9 . CMP G 4 . . 23.619 61.624 3.714 1.00 12.64 ? N9 CMP A 762 1 -HETATM 4403 C C8 . CMP G 4 . . 24.903 62.073 3.841 1.00 22.17 ? C8 CMP A 762 1 -HETATM 4404 N N7 . CMP G 4 . . 25.821 61.231 3.387 1.00 20.71 ? N7 CMP A 762 1 -HETATM 4405 C C5 . CMP G 4 . . 25.086 60.156 2.920 1.00 13.01 ? C5 CMP A 762 1 -HETATM 4406 C C6 . CMP G 4 . . 25.475 58.919 2.309 1.00 14.58 ? C6 CMP A 762 1 -HETATM 4407 N N6 . CMP G 4 . . 26.765 58.591 1.967 1.00 12.19 ? N6 CMP A 762 1 -HETATM 4408 N N1 . CMP G 4 . . 24.497 58.040 2.025 1.00 9.86 ? N1 CMP A 762 1 -HETATM 4409 C C2 . CMP G 4 . . 23.221 58.389 2.273 1.00 10.47 ? C2 CMP A 762 1 -HETATM 4410 N N3 . CMP G 4 . . 22.727 59.528 2.798 1.00 18.21 ? N3 CMP A 762 1 -HETATM 4411 C C4 . CMP G 4 . . 23.721 60.378 3.112 1.00 15.89 ? C4 CMP A 762 1 -HETATM 4412 P P . CMP H 4 . . 30.868 44.322 10.111 1.00 22.81 ? P CMP B 761 1 -HETATM 4413 O O1P . CMP H 4 . . 30.249 44.780 8.824 1.00 17.93 ? O1P CMP B 761 1 -HETATM 4414 O O2P . CMP H 4 . . 30.231 43.185 10.844 1.00 18.79 ? O2P CMP B 761 1 -HETATM 4415 O "O5'" . CMP H 4 . . 32.366 43.895 9.809 1.00 13.33 ? "O5'" CMP B 761 1 -HETATM 4416 C "C5'" . CMP H 4 . . 33.274 44.800 9.251 1.00 17.27 ? "C5'" CMP B 761 1 -HETATM 4417 C "C4'" . CMP H 4 . . 33.284 46.017 10.078 1.00 16.92 ? "C4'" CMP B 761 1 -HETATM 4418 O "O4'" . CMP H 4 . . 34.091 47.063 9.520 1.00 19.03 ? "O4'" CMP B 761 1 -HETATM 4419 C "C3'" . CMP H 4 . . 31.951 46.686 10.283 1.00 16.47 ? "C3'" CMP B 761 1 -HETATM 4420 O "O3'" . CMP H 4 . . 31.094 45.720 10.901 1.00 15.14 ? "O3'" CMP B 761 1 -HETATM 4421 C "C2'" . CMP H 4 . . 32.444 47.944 10.985 1.00 12.11 ? "C2'" CMP B 761 1 -HETATM 4422 C "C1'" . CMP H 4 . . 33.587 48.307 10.004 1.00 20.63 ? "C1'" CMP B 761 1 -HETATM 4423 N N9 . CMP H 4 . . 33.317 49.131 8.805 1.00 18.49 ? N9 CMP B 761 1 -HETATM 4424 C C8 . CMP H 4 . . 32.660 48.826 7.627 1.00 19.25 ? C8 CMP B 761 1 -HETATM 4425 N N7 . CMP H 4 . . 32.732 49.773 6.710 1.00 15.3 ? N7 CMP B 761 1 -HETATM 4426 C C5 . CMP H 4 . . 33.450 50.775 7.339 1.00 22.11 ? C5 CMP B 761 1 -HETATM 4427 C C6 . CMP H 4 . . 33.878 52.048 6.920 1.00 19.56 ? C6 CMP B 761 1 -HETATM 4428 N N6 . CMP H 4 . . 33.651 52.576 5.730 1.00 29.04 ? N6 CMP B 761 1 -HETATM 4429 N N1 . CMP H 4 . . 34.576 52.780 7.802 1.00 25.11 ? N1 CMP B 761 1 -HETATM 4430 C C2 . CMP H 4 . . 34.827 52.273 9.053 1.00 22.25 ? C2 CMP B 761 1 -HETATM 4431 N N3 . CMP H 4 . . 34.479 51.128 9.560 1.00 7.44 ? N3 CMP B 761 1 -HETATM 4432 C C4 . CMP H 4 . . 33.791 50.404 8.646 1.00 22.16 ? C4 CMP B 761 1 -HETATM 4433 O O . HOH I 5 . . 45.092 62.707 -38.052 1.00 40.55 ? O HOH C 497 1 -HETATM 4434 O O . HOH I 5 . . 34.545 54.424 -34.074 1.00 46.59 ? O HOH C 498 1 -HETATM 4435 O O . HOH I 5 . . 32.083 57.720 -40.155 1.00 25.7 ? O HOH C 499 1 -HETATM 4436 O O . HOH I 5 . . 26.669 65.133 -35.452 1.00 33.79 ? O HOH C 500 1 -HETATM 4437 O O . HOH I 5 . . 21.789 72.181 -22.980 1.00 47.12 ? O HOH C 502 1 -HETATM 4438 O O . HOH I 5 . . 15.248 65.765 -18.568 1.00 13.3 ? O HOH C 505 1 -HETATM 4439 O O . HOH I 5 . . 18.102 63.640 -26.184 1.00 10.55 ? O HOH C 506 1 -HETATM 4440 O O . HOH I 5 . . 38.134 67.177 -36.049 1.00 39.67 ? O HOH C 511 1 -HETATM 4441 O O . HOH I 5 . . 6.496 75.445 -24.344 1.00 34.06 ? O HOH C 545 1 -HETATM 4442 O O . HOH I 5 . . 5.915 78.120 -25.570 1.00 50.35 ? O HOH C 546 1 -HETATM 4443 O O . HOH I 5 . . 26.503 57.806 -38.215 1.00 49.33 ? O HOH C 561 1 -HETATM 4444 O O . HOH I 5 . . 34.543 63.954 -34.779 1.00 26.3 ? O HOH C 562 1 -HETATM 4445 O O . HOH I 5 . . 40.503 54.446 -28.868 1.00 44.04 ? O HOH C 565 1 -HETATM 4446 O O . HOH I 5 . . -4.406 63.698 -17.231 1.00 41.56 ? O HOH C 568 1 -HETATM 4447 O O . HOH I 5 . . -3.754 71.074 -24.645 1.00 26.72 ? O HOH C 569 1 -HETATM 4448 O O . HOH I 5 . . 9.518 75.455 -21.479 1.00 41.76 ? O HOH C 572 1 -HETATM 4449 O O . HOH I 5 . . 17.844 76.245 -23.110 1.00 54.25 ? O HOH C 573 1 -HETATM 4450 O O . HOH I 5 . . 10.529 81.336 -25.817 1.00 20.78 ? O HOH C 574 1 -HETATM 4451 O O . HOH I 5 . . 19.103 72.754 -21.738 1.00 37.97 ? O HOH C 576 1 -HETATM 4452 O O . HOH I 5 . . 37.142 57.678 -32.298 1.00 44.28 ? O HOH C 593 1 -HETATM 4453 O O . HOH I 5 . . 28.559 54.589 -35.786 1.00 33.76 ? O HOH C 594 1 -HETATM 4454 O O . HOH I 5 . . 24.818 56.110 -35.105 1.00 38.87 ? O HOH C 595 1 -HETATM 4455 O O . HOH I 5 . . 6.032 71.716 -33.977 1.00 28.94 ? O HOH C 597 1 -HETATM 4456 O O . HOH I 5 . . 6.701 81.328 -24.221 1.00 32.38 ? O HOH C 598 1 -HETATM 4457 O O . HOH I 5 . . 38.755 57.279 -27.498 1.00 23.05 ? O HOH C 600 1 -HETATM 4458 O O . HOH I 5 . . 15.304 73.759 -12.366 1.00 45.91 ? O HOH C 609 1 -HETATM 4459 O O . HOH I 5 . . 19.746 75.497 -20.941 1.00 24.75 ? O HOH C 612 1 -HETATM 4460 O O . HOH I 5 . . 33.850 55.583 -37.595 1.00 38.18 ? O HOH C 631 1 -HETATM 4461 O O . HOH I 5 . . 41.052 57.278 -30.411 1.00 54.37 ? O HOH C 635 1 -HETATM 4462 O O . HOH I 5 . . 23.329 62.494 -35.820 1.00 44.05 ? O HOH C 636 1 -HETATM 4463 O O . HOH I 5 . . 16.739 74.990 -27.635 1.00 34.45 ? O HOH C 645 1 -HETATM 4464 O O . HOH I 5 . . -2.747 62.236 -18.959 1.00 51.72 ? O HOH C 652 1 -HETATM 4465 O O . HOH I 5 . . 21.437 58.130 -27.166 1.00 44.51 ? O HOH C 655 1 -HETATM 4466 O O . HOH I 5 . . 20.214 58.740 -36.056 1.00 47.44 ? O HOH C 656 1 -HETATM 4467 O O . HOH I 5 . . 15.915 66.391 -16.034 1.00 44.96 ? O HOH C 659 1 -HETATM 4468 O O . HOH I 5 . . 16.874 60.354 -21.901 1.00 39.78 ? O HOH C 660 1 -HETATM 4469 O O . HOH I 5 . . -6.306 64.692 -18.758 1.00 14.12 ? O HOH C 672 1 -HETATM 4470 O O . HOH I 5 . . 21.194 62.919 -31.519 1.00 55 ? O HOH C 677 1 -HETATM 4471 O O . HOH I 5 . . 20.660 75.297 -23.813 1.00 41.23 ? O HOH C 692 1 -HETATM 4472 O O . HOH I 5 . . -1.234 68.669 -34.146 1.00 48.42 ? O HOH C 699 1 -HETATM 4473 O O . HOH I 5 . . -4.841 71.213 -27.538 1.00 47.07 ? O HOH C 700 1 -HETATM 4474 O O . HOH I 5 . . -1.095 63.024 -23.484 1.00 43.34 ? O HOH C 701 1 -HETATM 4475 O O . HOH I 5 . . 16.283 79.208 -26.983 1.00 49.4 ? O HOH C 702 1 -HETATM 4476 O O . HOH I 5 . . 19.179 59.427 -27.503 1.00 47.32 ? O HOH C 706 1 -HETATM 4477 O O . HOH I 5 . . 22.551 57.921 -34.154 1.00 55 ? O HOH C 707 1 -HETATM 4478 O O . HOH I 5 . . 22.568 54.840 -35.215 1.00 28.25 ? O HOH C 708 1 -HETATM 4479 O O . HOH I 5 . . 37.110 60.913 -39.945 1.00 20.63 ? O HOH C 709 1 -HETATM 4480 O O . HOH I 5 . . 39.915 65.768 -33.913 1.00 55 ? O HOH C 710 1 -HETATM 4481 O O . HOH I 5 . . 30.547 58.805 -30.327 1.00 32.03 ? O HOH C 715 1 -HETATM 4482 O O . HOH I 5 . . 24.361 53.539 -32.522 1.00 43.87 ? O HOH C 724 1 -HETATM 4483 O O . HOH J 5 . . 70.347 58.185 -8.109 1.00 55 ? O HOH D 475 1 -HETATM 4484 O O . HOH J 5 . . 64.471 44.790 -17.048 1.00 46.14 ? O HOH D 476 1 -HETATM 4485 O O . HOH J 5 . . 51.769 43.366 -8.088 1.00 32.45 ? O HOH D 477 1 -HETATM 4486 O O . HOH J 5 . . 53.137 40.252 -11.712 1.00 55 ? O HOH D 478 1 -HETATM 4487 O O . HOH J 5 . . 60.531 36.463 -9.174 1.00 38.78 ? O HOH D 479 1 -HETATM 4488 O O . HOH J 5 . . 58.862 36.585 -19.509 1.00 54.25 ? O HOH D 480 1 -HETATM 4489 O O . HOH J 5 . . 66.890 46.517 -12.427 1.00 27.96 ? O HOH D 481 1 -HETATM 4490 O O . HOH J 5 . . 73.157 47.205 -13.109 1.00 53.02 ? O HOH D 482 1 -HETATM 4491 O O . HOH J 5 . . 65.406 39.582 13.133 1.00 28.43 ? O HOH D 485 1 -HETATM 4492 O O . HOH J 5 . . 62.621 47.039 14.604 1.00 52.46 ? O HOH D 486 1 -HETATM 4493 O O . HOH J 5 . . 65.155 39.397 -1.228 1.00 20.94 ? O HOH D 489 1 -HETATM 4494 O O . HOH J 5 . . 46.206 49.808 -17.576 1.00 35.36 ? O HOH D 490 1 -HETATM 4495 O O . HOH J 5 . . 42.855 63.733 -22.373 1.00 33.69 ? O HOH D 493 1 -HETATM 4496 O O . HOH J 5 . . 51.508 67.455 -17.121 1.00 37.41 ? O HOH D 512 1 -HETATM 4497 O O . HOH J 5 . . 55.844 44.029 14.113 1.00 40.33 ? O HOH D 517 1 -HETATM 4498 O O . HOH J 5 . . 57.886 44.135 10.476 1.00 41.36 ? O HOH D 518 1 -HETATM 4499 O O . HOH J 5 . . 51.555 62.372 -24.432 1.00 27.58 ? O HOH D 524 1 -HETATM 4500 O O . HOH J 5 . . 43.711 56.235 -28.355 1.00 26.56 ? O HOH D 525 1 -HETATM 4501 O O . HOH J 5 . . 60.736 42.023 8.755 1.00 40.46 ? O HOH D 529 1 -HETATM 4502 O O . HOH J 5 . . 56.046 49.978 8.883 1.00 27.41 ? O HOH D 530 1 -HETATM 4503 O O . HOH J 5 . . 70.091 40.615 -3.930 1.00 22.25 ? O HOH D 533 1 -HETATM 4504 O O . HOH J 5 . . 67.001 53.080 -8.644 1.00 42.15 ? O HOH D 534 1 -HETATM 4505 O O . HOH J 5 . . 70.597 45.672 7.197 1.00 19.93 ? O HOH D 535 1 -HETATM 4506 O O . HOH J 5 . . 56.990 37.442 -11.269 1.00 32.19 ? O HOH D 538 1 -HETATM 4507 O O . HOH J 5 . . 65.265 35.444 -10.170 1.00 34.93 ? O HOH D 539 1 -HETATM 4508 O O . HOH J 5 . . 62.109 37.199 -7.114 1.00 52.71 ? O HOH D 540 1 -HETATM 4509 O O . HOH J 5 . . 42.794 68.731 -22.407 1.00 35.15 ? O HOH D 547 1 -HETATM 4510 O O . HOH J 5 . . 46.123 70.632 -24.405 1.00 35.29 ? O HOH D 548 1 -HETATM 4511 O O . HOH J 5 . . 67.748 49.985 -8.437 1.00 10.22 ? O HOH D 549 1 -HETATM 4512 O O . HOH J 5 . . 74.545 45.447 -9.233 1.00 51.32 ? O HOH D 550 1 -HETATM 4513 O O . HOH J 5 . . 54.585 44.617 -19.064 1.00 26.7 ? O HOH D 551 1 -HETATM 4514 O O . HOH J 5 . . 53.794 42.969 -10.618 1.00 50.8 ? O HOH D 552 1 -HETATM 4515 O O . HOH J 5 . . 49.037 44.429 -18.075 1.00 37.42 ? O HOH D 553 1 -HETATM 4516 O O . HOH J 5 . . 48.762 48.216 -18.826 1.00 27.63 ? O HOH D 554 1 -HETATM 4517 O O . HOH J 5 . . 49.442 65.308 -24.106 1.00 24.91 ? O HOH D 556 1 -HETATM 4518 O O . HOH J 5 . . 49.882 70.093 -21.008 1.00 35.27 ? O HOH D 557 1 -HETATM 4519 O O . HOH J 5 . . 43.056 66.665 -27.299 1.00 47.52 ? O HOH D 558 1 -HETATM 4520 O O . HOH J 5 . . 60.509 38.551 -10.754 1.00 46.62 ? O HOH D 567 1 -HETATM 4521 O O . HOH J 5 . . 58.263 43.649 7.952 1.00 45.35 ? O HOH D 582 1 -HETATM 4522 O O . HOH J 5 . . 68.602 58.415 -1.102 1.00 26.82 ? O HOH D 584 1 -HETATM 4523 O O . HOH J 5 . . 62.961 41.331 -17.673 1.00 36.46 ? O HOH D 585 1 -HETATM 4524 O O . HOH J 5 . . 65.781 42.618 -14.654 1.00 33.9 ? O HOH D 586 1 -HETATM 4525 O O . HOH J 5 . . 57.291 38.952 -20.892 1.00 45.33 ? O HOH D 587 1 -HETATM 4526 O O . HOH J 5 . . 45.117 52.569 -17.172 1.00 30.91 ? O HOH D 588 1 -HETATM 4527 O O . HOH J 5 . . 53.289 60.935 -18.784 1.00 52 ? O HOH D 591 1 -HETATM 4528 O O . HOH J 5 . . 52.176 45.995 -18.770 1.00 38.67 ? O HOH D 601 1 -HETATM 4529 O O . HOH J 5 . . 46.868 43.275 -9.443 1.00 39.72 ? O HOH D 607 1 -HETATM 4530 O O . HOH J 5 . . 43.045 64.995 -15.789 1.00 49.25 ? O HOH D 617 1 -HETATM 4531 O O . HOH J 5 . . 67.269 32.001 17.229 1.00 48.15 ? O HOH D 621 1 -HETATM 4532 O O . HOH J 5 . . 62.211 36.743 13.534 1.00 46.51 ? O HOH D 622 1 -HETATM 4533 O O . HOH J 5 . . 71.630 38.512 -10.357 1.00 46.87 ? O HOH D 624 1 -HETATM 4534 O O . HOH J 5 . . 69.132 49.442 -10.591 1.00 38.27 ? O HOH D 626 1 -HETATM 4535 O O . HOH J 5 . . 42.251 68.919 -19.154 1.00 38.7 ? O HOH D 633 1 -HETATM 4536 O O . HOH J 5 . . 67.973 57.466 -6.149 1.00 33.81 ? O HOH D 642 1 -HETATM 4537 O O . HOH J 5 . . 50.302 66.708 -28.579 1.00 42.56 ? O HOH D 643 1 -HETATM 4538 O O . HOH J 5 . . 49.016 61.067 -28.672 1.00 53.81 ? O HOH D 644 1 -HETATM 4539 O O . HOH J 5 . . 55.217 38.453 -8.585 1.00 51.32 ? O HOH D 666 1 -HETATM 4540 O O . HOH J 5 . . 55.814 43.041 -8.509 1.00 19.14 ? O HOH D 667 1 -HETATM 4541 O O . HOH J 5 . . 62.561 34.808 -12.282 1.00 30.86 ? O HOH D 668 1 -HETATM 4542 O O . HOH J 5 . . 66.797 49.407 15.098 1.00 55 ? O HOH D 669 1 -HETATM 4543 O O . HOH J 5 . . 56.396 41.212 -19.750 1.00 52.13 ? O HOH D 683 1 -HETATM 4544 O O . HOH J 5 . . 50.283 38.631 -15.757 1.00 35.91 ? O HOH D 695 1 -HETATM 4545 O O . HOH J 5 . . 58.305 42.736 -8.090 1.00 44.09 ? O HOH D 696 1 -HETATM 4546 O O . HOH J 5 . . 61.189 39.930 -7.739 1.00 53.41 ? O HOH D 697 1 -HETATM 4547 O O . HOH J 5 . . 68.551 53.858 -6.671 1.00 43.38 ? O HOH D 713 1 -HETATM 4548 O O . HOH J 5 . . 66.847 51.437 8.723 1.00 43.84 ? O HOH D 714 1 -HETATM 4549 O O . HOH J 5 . . 65.905 52.520 14.043 1.00 53.8 ? O HOH D 742 1 -HETATM 4550 O O . HOH J 5 . . 69.799 45.512 1.693 1.00 51.26 ? O HOH D 749 1 -HETATM 4551 O O . HOH J 5 . . 63.835 52.551 11.873 1.00 41.86 ? O HOH D 752 1 -HETATM 4552 O O . HOH J 5 . . 61.683 51.699 14.595 1.00 39.64 ? O HOH D 753 1 -HETATM 4553 O O . HOH J 5 . . 70.864 48.989 -15.635 1.00 55 ? O HOH D 755 1 -HETATM 4554 O O . HOH K 5 . . 67.397 35.573 10.316 1.00 20.55 ? O HOH E 483 1 -HETATM 4555 O O . HOH K 5 . . 67.927 39.018 11.403 1.00 28.29 ? O HOH E 484 1 -HETATM 4556 O O . HOH K 5 . . 63.705 52.517 -0.832 1.00 36.53 ? O HOH E 487 1 -HETATM 4557 O O . HOH K 5 . . 65.354 49.889 -4.492 1.00 49.78 ? O HOH E 488 1 -HETATM 4558 O O . HOH K 5 . . 74.697 45.400 5.860 1.00 44.7 ? O HOH E 515 1 -HETATM 4559 O O . HOH K 5 . . 75.656 39.879 3.425 1.00 32.51 ? O HOH E 516 1 -HETATM 4560 O O . HOH K 5 . . 67.795 33.325 3.865 1.00 46.58 ? O HOH E 519 1 -HETATM 4561 O O . HOH K 5 . . 72.727 49.110 4.087 1.00 29.56 ? O HOH E 520 1 -HETATM 4562 O O . HOH K 5 . . 56.084 57.660 -19.059 1.00 22.64 ? O HOH E 521 1 -HETATM 4563 O O . HOH K 5 . . 76.028 51.424 12.000 1.00 34.44 ? O HOH E 531 1 -HETATM 4564 O O . HOH K 5 . . 72.935 51.041 11.055 1.00 31.9 ? O HOH E 536 1 -HETATM 4565 O O . HOH K 5 . . 72.141 46.460 4.120 1.00 52 ? O HOH E 537 1 -HETATM 4566 O O . HOH K 5 . . 57.218 36.663 5.877 1.00 21.3 ? O HOH E 543 1 -HETATM 4567 O O . HOH K 5 . . 65.310 39.550 9.706 1.00 33.24 ? O HOH E 544 1 -HETATM 4568 O O . HOH K 5 . . 69.997 37.575 10.818 1.00 55 ? O HOH E 566 1 -HETATM 4569 O O . HOH K 5 . . 75.565 35.395 7.040 1.00 33.9 ? O HOH E 570 1 -HETATM 4570 O O . HOH K 5 . . 70.867 49.370 11.889 1.00 35.98 ? O HOH E 571 1 -HETATM 4571 O O . HOH K 5 . . 69.335 38.156 1.355 1.00 38.59 ? O HOH E 577 1 -HETATM 4572 O O . HOH K 5 . . 73.936 49.676 13.646 1.00 47.86 ? O HOH E 578 1 -HETATM 4573 O O . HOH K 5 . . 73.413 46.396 8.669 1.00 43.69 ? O HOH E 579 1 -HETATM 4574 O O . HOH K 5 . . 81.229 50.580 8.324 1.00 37.52 ? O HOH E 580 1 -HETATM 4575 O O . HOH K 5 . . 81.781 42.290 10.185 1.00 25.63 ? O HOH E 581 1 -HETATM 4576 O O . HOH K 5 . . 63.154 49.753 0.787 1.00 20.16 ? O HOH E 583 1 -HETATM 4577 O O . HOH K 5 . . 52.394 48.873 -30.007 1.00 53.55 ? O HOH E 590 1 -HETATM 4578 O O . HOH K 5 . . 61.104 54.976 -26.847 1.00 47.94 ? O HOH E 604 1 -HETATM 4579 O O . HOH K 5 . . 57.666 55.211 -26.018 1.00 50.15 ? O HOH E 605 1 -HETATM 4580 O O . HOH K 5 . . 60.039 55.864 -23.590 1.00 55 ? O HOH E 606 1 -HETATM 4581 O O . HOH K 5 . . 60.100 41.365 -5.201 1.00 45.95 ? O HOH E 618 1 -HETATM 4582 O O . HOH K 5 . . 70.637 38.501 14.290 1.00 46.42 ? O HOH E 619 1 -HETATM 4583 O O . HOH K 5 . . 73.290 40.555 14.035 1.00 41.72 ? O HOH E 620 1 -HETATM 4584 O O . HOH K 5 . . 57.193 39.220 8.721 1.00 37.63 ? O HOH E 623 1 -HETATM 4585 O O . HOH K 5 . . 66.092 50.610 -10.399 1.00 23.91 ? O HOH E 625 1 -HETATM 4586 O O . HOH K 5 . . 77.611 47.325 18.440 1.00 35.78 ? O HOH E 639 1 -HETATM 4587 O O . HOH K 5 . . 71.268 40.221 1.712 1.00 47 ? O HOH E 640 1 -HETATM 4588 O O . HOH K 5 . . 64.841 55.304 -2.212 1.00 38.46 ? O HOH E 641 1 -HETATM 4589 O O . HOH K 5 . . 60.211 47.358 -24.602 1.00 44.79 ? O HOH E 646 1 -HETATM 4590 O O . HOH K 5 . . 57.361 49.302 -22.833 1.00 33.4 ? O HOH E 647 1 -HETATM 4591 O O . HOH K 5 . . 57.900 46.482 -21.158 1.00 49.78 ? O HOH E 684 1 -HETATM 4592 O O . HOH K 5 . . 57.827 43.936 -4.996 1.00 54.36 ? O HOH E 685 1 -HETATM 4593 O O . HOH K 5 . . 80.651 48.325 11.022 1.00 29.52 ? O HOH E 686 1 -HETATM 4594 O O . HOH K 5 . . 79.286 51.604 13.129 1.00 49.66 ? O HOH E 687 1 -HETATM 4595 O O . HOH K 5 . . 80.238 44.021 6.912 1.00 45.95 ? O HOH E 688 1 -HETATM 4596 O O . HOH K 5 . . 60.733 33.245 7.305 1.00 55 ? O HOH E 743 1 -HETATM 4597 O O . HOH K 5 . . 77.556 43.536 6.417 1.00 53.41 ? O HOH E 750 1 -HETATM 4598 O O . HOH K 5 . . 74.125 33.302 1.512 1.00 55 ? O HOH E 751 1 -HETATM 4599 O O . HOH K 5 . . 58.691 40.778 -0.272 1.00 53.41 ? O HOH E 754 1 -HETATM 4600 O O . HOH K 5 . . 65.062 57.859 -15.430 1.00 51.71 ? O HOH E 756 1 -HETATM 4601 O O . HOH L 5 . . 39.601 51.800 -14.163 1.00 48.63 ? O HOH F 491 1 -HETATM 4602 O O . HOH L 5 . . 42.338 57.424 -18.088 1.00 30.52 ? O HOH F 492 1 -HETATM 4603 O O . HOH L 5 . . 40.611 68.254 -26.386 1.00 43.31 ? O HOH F 494 1 -HETATM 4604 O O . HOH L 5 . . 36.111 75.412 -28.364 1.00 44.29 ? O HOH F 495 1 -HETATM 4605 O O . HOH L 5 . . 38.325 74.842 -20.690 1.00 29.66 ? O HOH F 496 1 -HETATM 4606 O O . HOH L 5 . . 28.870 71.233 -37.894 1.00 27.7 ? O HOH F 501 1 -HETATM 4607 O O . HOH L 5 . . 20.912 72.874 -29.010 1.00 44.34 ? O HOH F 503 1 -HETATM 4608 O O . HOH L 5 . . 13.937 66.994 -20.653 1.00 23.17 ? O HOH F 504 1 -HETATM 4609 O O . HOH L 5 . . 10.104 59.707 -27.834 1.00 40.2 ? O HOH F 507 1 -HETATM 4610 O O . HOH L 5 . . 8.864 68.297 -31.113 1.00 39.94 ? O HOH F 508 1 -HETATM 4611 O O . HOH L 5 . . 7.068 68.916 -33.354 1.00 47.65 ? O HOH F 509 1 -HETATM 4612 O O . HOH L 5 . . 11.412 69.749 -31.428 1.00 17.9 ? O HOH F 510 1 -HETATM 4613 O O . HOH L 5 . . 40.640 65.256 -22.789 1.00 23.04 ? O HOH F 513 1 -HETATM 4614 O O . HOH L 5 . . 35.254 72.551 -20.118 1.00 55 ? O HOH F 514 1 -HETATM 4615 O O . HOH L 5 . . 51.575 55.673 -25.930 1.00 33.99 ? O HOH F 522 1 -HETATM 4616 O O . HOH L 5 . . 41.795 46.087 -19.656 1.00 38.63 ? O HOH F 523 1 -HETATM 4617 O O . HOH L 5 . . 15.802 70.478 -35.327 1.00 35.2 ? O HOH F 526 1 -HETATM 4618 O O . HOH L 5 . . 6.392 61.612 -26.066 1.00 23.72 ? O HOH F 527 1 -HETATM 4619 O O . HOH L 5 . . 29.124 79.776 -34.852 1.00 32.63 ? O HOH F 528 1 -HETATM 4620 O O . HOH L 5 . . 37.883 51.549 -24.595 1.00 54.07 ? O HOH F 541 1 -HETATM 4621 O O . HOH L 5 . . 34.835 50.547 -20.628 1.00 30.94 ? O HOH F 542 1 -HETATM 4622 O O . HOH L 5 . . 31.162 76.662 -22.119 1.00 55 ? O HOH F 559 1 -HETATM 4623 O O . HOH L 5 . . 31.060 70.006 -34.200 1.00 16.86 ? O HOH F 560 1 -HETATM 4624 O O . HOH L 5 . . 16.542 71.808 -32.219 1.00 21.1 ? O HOH F 563 1 -HETATM 4625 O O . HOH L 5 . . 14.867 68.245 -36.351 1.00 34.11 ? O HOH F 564 1 -HETATM 4626 O O . HOH L 5 . . 18.549 64.506 -40.441 1.00 32.89 ? O HOH F 575 1 -HETATM 4627 O O . HOH L 5 . . 45.887 44.599 -27.592 1.00 37.29 ? O HOH F 589 1 -HETATM 4628 O O . HOH L 5 . . 35.632 50.257 -23.883 1.00 50.89 ? O HOH F 592 1 -HETATM 4629 O O . HOH L 5 . . 22.784 72.471 -27.076 1.00 42.58 ? O HOH F 596 1 -HETATM 4630 O O . HOH L 5 . . 7.194 58.282 -22.777 1.00 48.95 ? O HOH F 599 1 -HETATM 4631 O O . HOH L 5 . . 2.172 75.065 -25.769 1.00 29.07 ? O HOH F 602 1 -HETATM 4632 O O . HOH L 5 . . 6.522 79.928 -16.010 1.00 25.22 ? O HOH F 603 1 -HETATM 4633 O O . HOH L 5 . . 43.025 43.992 -21.855 1.00 29.25 ? O HOH F 608 1 -HETATM 4634 O O . HOH L 5 . . 7.478 77.422 -10.240 1.00 18.53 ? O HOH F 610 1 -HETATM 4635 O O . HOH L 5 . . 17.066 57.430 -29.734 1.00 29.65 ? O HOH F 613 1 -HETATM 4636 O O . HOH L 5 . . 27.442 72.109 -25.068 1.00 16.67 ? O HOH F 614 1 -HETATM 4637 O O . HOH L 5 . . 29.667 73.505 -25.820 1.00 28.54 ? O HOH F 615 1 -HETATM 4638 O O . HOH L 5 . . 34.311 76.445 -23.875 1.00 49.17 ? O HOH F 616 1 -HETATM 4639 O O . HOH L 5 . . 40.192 64.519 -16.676 1.00 55 ? O HOH F 627 1 -HETATM 4640 O O . HOH L 5 . . 4.897 63.696 -25.327 1.00 38.66 ? O HOH F 628 1 -HETATM 4641 O O . HOH L 5 . . 13.729 70.695 -32.590 1.00 37.63 ? O HOH F 629 1 -HETATM 4642 O O . HOH L 5 . . 40.317 69.089 -23.974 1.00 54.97 ? O HOH F 630 1 -HETATM 4643 O O . HOH L 5 . . 31.852 69.051 -22.413 1.00 36.54 ? O HOH F 632 1 -HETATM 4644 O O . HOH L 5 . . 37.512 63.501 -14.722 1.00 25.25 ? O HOH F 634 1 -HETATM 4645 O O . HOH L 5 . . 25.176 68.661 -35.141 1.00 49.11 ? O HOH F 637 1 -HETATM 4646 O O . HOH L 5 . . 4.653 68.424 -33.675 1.00 22.79 ? O HOH F 648 1 -HETATM 4647 O O . HOH L 5 . . 4.431 77.755 -22.149 1.00 41.86 ? O HOH F 649 1 -HETATM 4648 O O . HOH L 5 . . 7.296 75.601 -12.699 1.00 33.31 ? O HOH F 650 1 -HETATM 4649 O O . HOH L 5 . . 6.998 71.561 -11.947 1.00 37.29 ? O HOH F 651 1 -HETATM 4650 O O . HOH L 5 . . 7.933 58.041 -25.945 1.00 30.99 ? O HOH F 653 1 -HETATM 4651 O O . HOH L 5 . . 13.763 61.040 -18.030 1.00 47.96 ? O HOH F 658 1 -HETATM 4652 O O . HOH L 5 . . 33.756 72.777 -22.367 1.00 46.41 ? O HOH F 661 1 -HETATM 4653 O O . HOH L 5 . . 54.464 46.698 -24.996 1.00 46.73 ? O HOH F 662 1 -HETATM 4654 O O . HOH L 5 . . 36.668 53.614 -22.756 1.00 41.75 ? O HOH F 663 1 -HETATM 4655 O O . HOH L 5 . . 7.813 79.582 -18.457 1.00 37.6 ? O HOH F 670 1 -HETATM 4656 O O . HOH L 5 . . 8.196 65.636 -13.058 1.00 54.25 ? O HOH F 671 1 -HETATM 4657 O O . HOH L 5 . . 9.648 63.288 -15.403 1.00 38.99 ? O HOH F 673 1 -HETATM 4658 O O . HOH L 5 . . 8.696 62.103 -24.916 1.00 50.52 ? O HOH F 674 1 -HETATM 4659 O O . HOH L 5 . . 14.733 66.217 -23.050 1.00 35.25 ? O HOH F 675 1 -HETATM 4660 O O . HOH L 5 . . 11.389 72.474 -31.016 1.00 46.75 ? O HOH F 676 1 -HETATM 4661 O O . HOH L 5 . . 12.114 58.988 -34.210 1.00 53.56 ? O HOH F 678 1 -HETATM 4662 O O . HOH L 5 . . 35.294 69.551 -30.893 1.00 45.99 ? O HOH F 679 1 -HETATM 4663 O O . HOH L 5 . . 41.412 63.169 -19.944 1.00 43.35 ? O HOH F 681 1 -HETATM 4664 O O . HOH L 5 . . 43.289 54.324 -18.513 1.00 55 ? O HOH F 682 1 -HETATM 4665 O O . HOH L 5 . . 9.751 71.706 -11.911 1.00 32.94 ? O HOH F 689 1 -HETATM 4666 O O . HOH L 5 . . 7.616 61.298 -20.989 1.00 38.13 ? O HOH F 690 1 -HETATM 4667 O O . HOH L 5 . . 2.925 75.398 -8.790 1.00 51.05 ? O HOH F 691 1 -HETATM 4668 O O . HOH L 5 . . 25.480 73.849 -27.535 1.00 49.54 ? O HOH F 693 1 -HETATM 4669 O O . HOH L 5 . . 9.405 78.692 -15.849 1.00 48.02 ? O HOH F 703 1 -HETATM 4670 O O . HOH L 5 . . 3.752 75.722 -12.148 1.00 54.69 ? O HOH F 704 1 -HETATM 4671 O O . HOH L 5 . . 38.687 69.451 -28.246 1.00 49.88 ? O HOH F 711 1 -HETATM 4672 O O . HOH L 5 . . 37.106 67.659 -32.437 1.00 39.11 ? O HOH F 712 1 -HETATM 4673 O O . HOH L 5 . . 20.319 73.578 -33.478 1.00 45.67 ? O HOH F 716 1 -HETATM 4674 O O . HOH L 5 . . 6.360 63.920 -15.465 1.00 52.65 ? O HOH F 718 1 -HETATM 4675 O O . HOH L 5 . . 26.865 78.212 -29.056 1.00 55 ? O HOH F 748 1 -HETATM 4676 O O . HOH M 5 . . 10.284 72.559 -8.903 1.00 22.85 ? O HOH A 611 1 -HETATM 4677 O O . HOH M 5 . . 9.255 57.324 -28.987 1.00 55 ? O HOH A 654 1 -HETATM 4678 O O . HOH M 5 . . 21.678 54.651 -24.966 1.00 43.43 ? O HOH A 657 1 -HETATM 4679 O O . HOH M 5 . . 7.400 73.484 -9.214 1.00 47.11 ? O HOH A 705 1 -HETATM 4680 O O . HOH M 5 . . 17.557 61.852 -14.892 1.00 42.94 ? O HOH A 717 1 -HETATM 4681 O O . HOH M 5 . . 11.375 59.500 -14.354 1.00 52.68 ? O HOH A 719 1 -HETATM 4682 O O . HOH M 5 . . 12.614 53.284 -14.492 1.00 51.76 ? O HOH A 720 1 -HETATM 4683 O O . HOH M 5 . . 13.058 60.579 -10.316 1.00 49.73 ? O HOH A 721 1 -HETATM 4684 O O . HOH M 5 . . 28.816 53.412 -29.637 1.00 39.73 ? O HOH A 722 1 -HETATM 4685 O O . HOH M 5 . . 21.255 54.038 -29.711 1.00 41.83 ? O HOH A 723 1 -HETATM 4686 O O . HOH M 5 . . 38.936 47.409 -18.387 1.00 40.91 ? O HOH A 725 1 -HETATM 4687 O O . HOH M 5 . . 41.262 47.175 -17.411 1.00 38.05 ? O HOH A 726 1 -HETATM 4688 O O . HOH M 5 . . 12.478 74.038 6.484 1.00 49.67 ? O HOH A 734 1 -HETATM 4689 O O . HOH M 5 . . 18.509 73.301 5.314 1.00 43.09 ? O HOH A 735 1 -HETATM 4690 O O . HOH M 5 . . 19.750 65.654 -12.399 1.00 25.25 ? O HOH A 736 1 -HETATM 4691 O O . HOH M 5 . . 23.380 68.251 -12.222 1.00 25.18 ? O HOH A 737 1 -HETATM 4692 O O . HOH M 5 . . 14.892 62.388 -11.516 1.00 41.1 ? O HOH A 738 1 -HETATM 4693 O O . HOH M 5 . . 24.435 69.769 -18.274 1.00 48.14 ? O HOH A 744 1 -HETATM 4694 O O . HOH M 5 . . 25.815 69.476 -21.119 1.00 48.69 ? O HOH A 745 1 -HETATM 4695 O O . HOH M 5 . . 27.956 67.774 -19.811 1.00 55 ? O HOH A 746 1 -HETATM 4696 O O . HOH M 5 . . 26.553 66.389 -18.032 1.00 51.67 ? O HOH A 747 1 -HETATM 4697 O O . HOH N 5 . . 59.562 53.896 4.476 1.00 30.56 ? O HOH B 532 1 -HETATM 4698 O O . HOH N 5 . . 55.057 58.699 -15.558 1.00 44.05 ? O HOH B 555 1 -HETATM 4699 O O . HOH N 5 . . 59.004 61.481 -14.106 1.00 55 ? O HOH B 638 1 -HETATM 4700 O O . HOH N 5 . . 40.467 58.019 -13.975 1.00 51.91 ? O HOH B 664 1 -HETATM 4701 O O . HOH N 5 . . 43.433 63.243 -13.179 1.00 53.31 ? O HOH B 665 1 -HETATM 4702 O O . HOH N 5 . . 37.656 60.746 -12.566 1.00 55 ? O HOH B 680 1 -HETATM 4703 O O . HOH N 5 . . 27.051 28.112 9.958 1.00 40.96 ? O HOH B 694 1 -HETATM 4704 O O . HOH N 5 . . 66.350 59.431 7.530 1.00 46.96 ? O HOH B 698 1 -HETATM 4705 O O . HOH N 5 . . 50.447 47.743 -5.108 1.00 51.54 ? O HOH B 727 1 -HETATM 4706 O O . HOH N 5 . . 47.146 45.975 -3.411 1.00 42.22 ? O HOH B 728 1 -HETATM 4707 O O . HOH N 5 . . 46.157 49.437 -7.502 1.00 53.47 ? O HOH B 729 1 -HETATM 4708 O O . HOH N 5 . . 43.808 40.145 -13.034 1.00 30.09 ? O HOH B 730 1 -HETATM 4709 O O . HOH N 5 . . 36.050 55.545 6.786 1.00 37.49 ? O HOH B 731 1 -HETATM 4710 O O . HOH N 5 . . 38.361 59.270 3.275 1.00 53.62 ? O HOH B 732 1 -HETATM 4711 O O . HOH N 5 . . 40.217 64.375 2.797 1.00 44.11 ? O HOH B 733 1 -HETATM 4712 O O . HOH N 5 . . 41.541 53.966 -8.409 1.00 51.18 ? O HOH B 739 1 -HETATM 4713 O O . HOH N 5 . . 39.178 56.148 -9.152 1.00 32.47 ? O HOH B 740 1 -HETATM 4714 O O . HOH N 5 . . 40.084 58.973 -11.133 1.00 51.6 ? O HOH B 741 1 -HETATM 4715 O O . HOH N 5 . . 45.750 42.963 -13.260 1.00 55 ? O HOH B 757 1 -HETATM 4716 O O . HOH N 5 . . 53.894 43.192 17.506 1.00 50.14 ? O HOH B 758 1 -HETATM 4717 O O . HOH N 5 . . 51.308 41.624 18.445 1.00 44.78 ? O HOH B 759 1 -HETATM 4718 O O . HOH N 5 . . 51.831 41.946 22.916 1.00 43.08 ? O HOH B 760 1 +ATOM 1 O "O5'" DG 1 . . A 1 -5.513 61.883 -25.680 1.00 38.64 ? "O5'" DG -5 C 1 +ATOM 2 C "C5'" DG 1 . . A 1 -4.320 62.508 -25.164 1.00 41.72 ? "C5'" DG -5 C 1 +ATOM 3 C "C4'" DG 1 . . A 1 -4.328 63.985 -25.475 1.00 38.99 ? "C4'" DG -5 C 1 +ATOM 4 O "O4'" DG 1 . . A 1 -4.443 64.782 -24.264 1.00 30.81 ? "O4'" DG -5 C 1 +ATOM 5 C "C3'" DG 1 . . A 1 -3.102 64.474 -26.247 1.00 36.45 ? "C3'" DG -5 C 1 +ATOM 6 O "O3'" DG 1 . . A 1 -3.629 65.218 -27.360 1.00 46.52 ? "O3'" DG -5 C 1 +ATOM 7 C "C2'" DG 1 . . A 1 -2.320 65.297 -25.223 1.00 36.24 ? "C2'" DG -5 C 1 +ATOM 8 C "C1'" DG 1 . . A 1 -3.319 65.650 -24.112 1.00 38.95 ? "C1'" DG -5 C 1 +ATOM 9 N N9 DG 1 . . A 1 -2.861 65.541 -22.717 1.00 36.28 ? N9 DG -5 C 1 +ATOM 10 C C8 DG 1 . . A 1 -2.739 64.397 -21.970 1.00 33.98 ? C8 DG -5 C 1 +ATOM 11 N N7 DG 1 . . A 1 -2.338 64.624 -20.741 1.00 39.95 ? N7 DG -5 C 1 +ATOM 12 C C5 DG 1 . . A 1 -2.185 66.002 -20.669 1.00 35.4 ? C5 DG -5 C 1 +ATOM 13 C C6 DG 1 . . A 1 -1.775 66.862 -19.573 1.00 38.15 ? C6 DG -5 C 1 +ATOM 14 O O6 DG 1 . . A 1 -1.507 66.565 -18.403 1.00 32.94 ? O6 DG -5 C 1 +ATOM 15 N N1 DG 1 . . A 1 -1.712 68.193 -19.962 1.00 38.66 ? N1 DG -5 C 1 +ATOM 16 C C2 DG 1 . . A 1 -2.019 68.662 -21.202 1.00 43.52 ? C2 DG -5 C 1 +ATOM 17 N N2 DG 1 . . A 1 -1.892 69.982 -21.387 1.00 40.44 ? N2 DG -5 C 1 +ATOM 18 N N3 DG 1 . . A 1 -2.423 67.893 -22.212 1.00 46.07 ? N3 DG -5 C 1 +ATOM 19 C C4 DG 1 . . A 1 -2.482 66.586 -21.881 1.00 37.8 ? C4 DG -5 C 1 +ATOM 20 P P DC 2 . . A 1 -2.672 65.800 -28.514 1.00 43.99 ? P DC -4 C 1 +ATOM 21 O OP1 DC 2 . . A 1 -3.635 66.486 -29.432 1.00 41.89 ? OP1 DC -4 C 1 +ATOM 22 O OP2 DC 2 . . A 1 -1.774 64.742 -29.034 1.00 42.54 ? OP2 DC -4 C 1 +ATOM 23 O "O5'" DC 2 . . A 1 -1.839 66.949 -27.763 1.00 49.52 ? "O5'" DC -4 C 1 +ATOM 24 C "C5'" DC 2 . . A 1 -2.502 68.023 -27.042 1.00 39.42 ? "C5'" DC -4 C 1 +ATOM 25 C "C4'" DC 2 . . A 1 -2.448 69.314 -27.835 1.00 45.05 ? "C4'" DC -4 C 1 +ATOM 26 O "O4'" DC 2 . . A 1 -2.052 70.421 -26.997 1.00 38.1 ? "O4'" DC -4 C 1 +ATOM 27 C "C3'" DC 2 . . A 1 -1.383 69.287 -28.922 1.00 48.1 ? "C3'" DC -4 C 1 +ATOM 28 O "O3'" DC 2 . . A 1 -1.717 70.209 -29.944 1.00 53.24 ? "O3'" DC -4 C 1 +ATOM 29 C "C2'" DC 2 . . A 1 -0.129 69.756 -28.208 1.00 50.54 ? "C2'" DC -4 C 1 +ATOM 30 C "C1'" DC 2 . . A 1 -0.629 70.414 -26.930 1.00 46.09 ? "C1'" DC -4 C 1 +ATOM 31 N N1 DC 2 . . A 1 -0.270 69.624 -25.759 1.00 45.78 ? N1 DC -4 C 1 +ATOM 32 C C2 DC 2 . . A 1 -0.169 70.270 -24.535 1.00 49.94 ? C2 DC -4 C 1 +ATOM 33 O O2 DC 2 . . A 1 -0.365 71.498 -24.495 1.00 55 ? O2 DC -4 C 1 +ATOM 34 N N3 DC 2 . . A 1 0.137 69.555 -23.425 1.00 45.26 ? N3 DC -4 C 1 +ATOM 35 C C4 DC 2 . . A 1 0.342 68.242 -23.523 1.00 45.88 ? C4 DC -4 C 1 +ATOM 36 N N4 DC 2 . . A 1 0.631 67.562 -22.396 1.00 39.63 ? N4 DC -4 C 1 +ATOM 37 C C5 DC 2 . . A 1 0.257 67.561 -24.780 1.00 47.94 ? C5 DC -4 C 1 +ATOM 38 C C6 DC 2 . . A 1 -0.046 68.283 -25.858 1.00 38.54 ? C6 DC -4 C 1 +ATOM 39 P P DG 3 . . A 1 -1.047 70.066 -31.388 1.00 48.45 ? P DG -3 C 1 +ATOM 40 O OP1 DG 3 . . A 1 -2.067 70.399 -32.445 1.00 50.01 ? OP1 DG -3 C 1 +ATOM 41 O OP2 DG 3 . . A 1 -0.415 68.728 -31.365 1.00 51.07 ? OP2 DG -3 C 1 +ATOM 42 O "O5'" DG 3 . . A 1 0.050 71.208 -31.389 1.00 45.6 ? "O5'" DG -3 C 1 +ATOM 43 C "C5'" DG 3 . . A 1 1.345 70.968 -30.881 1.00 45.65 ? "C5'" DG -3 C 1 +ATOM 44 C "C4'" DG 3 . . A 1 1.892 72.247 -30.307 1.00 48.82 ? "C4'" DG -3 C 1 +ATOM 45 O "O4'" DG 3 . . A 1 2.096 72.061 -28.896 1.00 49.02 ? "O4'" DG -3 C 1 +ATOM 46 C "C3'" DG 3 . . A 1 3.254 72.610 -30.848 1.00 49.88 ? "C3'" DG -3 C 1 +ATOM 47 O "O3'" DG 3 . . A 1 3.435 74.032 -30.679 1.00 50.46 ? "O3'" DG -3 C 1 +ATOM 48 C "C2'" DG 3 . . A 1 4.171 71.762 -29.973 1.00 48.77 ? "C2'" DG -3 C 1 +ATOM 49 C "C1'" DG 3 . . A 1 3.481 71.831 -28.626 1.00 53.28 ? "C1'" DG -3 C 1 +ATOM 50 N N9 DG 3 . . A 1 3.584 70.642 -27.768 1.00 54.83 ? N9 DG -3 C 1 +ATOM 51 C C8 DG 3 . . A 1 3.540 69.321 -28.143 1.00 49.73 ? C8 DG -3 C 1 +ATOM 52 N N7 DG 3 . . A 1 3.646 68.501 -27.130 1.00 48.47 ? N7 DG -3 C 1 +ATOM 53 C C5 DG 3 . . A 1 3.773 69.325 -26.023 1.00 44.64 ? C5 DG -3 C 1 +ATOM 54 C C6 DG 3 . . A 1 3.926 69.011 -24.665 1.00 40.91 ? C6 DG -3 C 1 +ATOM 55 O O6 DG 3 . . A 1 4.003 67.922 -24.135 1.00 39.8 ? O6 DG -3 C 1 +ATOM 56 N N1 DG 3 . . A 1 4.003 70.138 -23.890 1.00 45.45 ? N1 DG -3 C 1 +ATOM 57 C C2 DG 3 . . A 1 3.958 71.419 -24.353 1.00 43.65 ? C2 DG -3 C 1 +ATOM 58 N N2 DG 3 . . A 1 4.056 72.375 -23.425 1.00 47.81 ? N2 DG -3 C 1 +ATOM 59 N N3 DG 3 . . A 1 3.827 71.741 -25.613 1.00 45.65 ? N3 DG -3 C 1 +ATOM 60 C C4 DG 3 . . A 1 3.738 70.649 -26.393 1.00 49.55 ? C4 DG -3 C 1 +ATOM 61 P P DA 4 . . A 1 4.300 74.860 -31.757 1.00 52.22 ? P DA -2 C 1 +ATOM 62 O OP1 DA 4 . . A 1 3.369 75.612 -32.671 1.00 48.13 ? OP1 DA -2 C 1 +ATOM 63 O OP2 DA 4 . . A 1 5.338 73.940 -32.351 1.00 46.12 ? OP2 DA -2 C 1 +ATOM 64 O "O5'" DA 4 . . A 1 5.135 75.903 -30.884 1.00 51.19 ? "O5'" DA -2 C 1 +ATOM 65 C "C5'" DA 4 . . A 1 4.504 76.780 -29.973 1.00 42.96 ? "C5'" DA -2 C 1 +ATOM 66 C "C4'" DA 4 . . A 1 5.313 76.844 -28.701 1.00 51.9 ? "C4'" DA -2 C 1 +ATOM 67 O "O4'" DA 4 . . A 1 5.377 75.524 -28.094 1.00 55 ? "O4'" DA -2 C 1 +ATOM 68 C "C3'" DA 4 . . A 1 6.766 77.289 -28.867 1.00 49.76 ? "C3'" DA -2 C 1 +ATOM 69 O "O3'" DA 4 . . A 1 7.103 78.034 -27.673 1.00 45.65 ? "O3'" DA -2 C 1 +ATOM 70 C "C2'" DA 4 . . A 1 7.501 75.950 -28.920 1.00 50.32 ? "C2'" DA -2 C 1 +ATOM 71 C "C1'" DA 4 . . A 1 6.726 75.133 -27.892 1.00 51.61 ? "C1'" DA -2 C 1 +ATOM 72 N N9 DA 4 . . A 1 6.781 73.667 -28.011 1.00 54.31 ? N9 DA -2 C 1 +ATOM 73 C C8 DA 4 . . A 1 6.819 72.889 -29.157 1.00 54.67 ? C8 DA -2 C 1 +ATOM 74 N N7 DA 4 . . A 1 6.846 71.590 -28.921 1.00 47.83 ? N7 DA -2 C 1 +ATOM 75 C C5 DA 4 . . A 1 6.833 71.505 -27.533 1.00 46.09 ? C5 DA -2 C 1 +ATOM 76 C C6 DA 4 . . A 1 6.857 70.400 -26.641 1.00 40.88 ? C6 DA -2 C 1 +ATOM 77 N N6 DA 4 . . A 1 6.890 69.123 -27.018 1.00 40.41 ? N6 DA -2 C 1 +ATOM 78 N N1 DA 4 . . A 1 6.842 70.664 -25.328 1.00 42.95 ? N1 DA -2 C 1 +ATOM 79 C C2 DA 4 . . A 1 6.801 71.942 -24.937 1.00 45.27 ? C2 DA -2 C 1 +ATOM 80 N N3 DA 4 . . A 1 6.775 73.060 -25.664 1.00 40.58 ? N3 DA -2 C 1 +ATOM 81 C C4 DA 4 . . A 1 6.794 72.775 -26.963 1.00 47.4 ? C4 DA -2 C 1 +ATOM 82 P P DA 5 . . A 1 8.207 79.196 -27.713 1.00 46.03 ? P DA -1 C 1 +ATOM 83 O OP1 DA 5 . . A 1 7.595 80.446 -27.189 1.00 40.78 ? OP1 DA -1 C 1 +ATOM 84 O OP2 DA 5 . . A 1 8.770 79.127 -29.092 1.00 45.36 ? OP2 DA -1 C 1 +ATOM 85 O "O5'" DA 5 . . A 1 9.336 78.745 -26.679 1.00 46.41 ? "O5'" DA -1 C 1 +ATOM 86 C "C5'" DA 5 . . A 1 9.090 78.817 -25.270 1.00 52.5 ? "C5'" DA -1 C 1 +ATOM 87 C "C4'" DA 5 . . A 1 9.985 77.875 -24.475 1.00 47.09 ? "C4'" DA -1 C 1 +ATOM 88 O "O4'" DA 5 . . A 1 9.776 76.472 -24.743 1.00 51.83 ? "O4'" DA -1 C 1 +ATOM 89 C "C3'" DA 5 . . A 1 11.483 78.094 -24.532 1.00 37.18 ? "C3'" DA -1 C 1 +ATOM 90 O "O3'" DA 5 . . A 1 11.827 78.105 -23.191 1.00 39.85 ? "O3'" DA -1 C 1 +ATOM 91 C "C2'" DA 5 . . A 1 12.035 76.871 -25.245 1.00 38.58 ? "C2'" DA -1 C 1 +ATOM 92 C "C1'" DA 5 . . A 1 11.022 75.795 -24.899 1.00 48.8 ? "C1'" DA -1 C 1 +ATOM 93 N N9 DA 5 . . A 1 10.780 74.723 -25.877 1.00 46.32 ? N9 DA -1 C 1 +ATOM 94 C C8 DA 5 . . A 1 10.462 74.789 -27.210 1.00 51.01 ? C8 DA -1 C 1 +ATOM 95 N N7 DA 5 . . A 1 10.279 73.613 -27.776 1.00 48.57 ? N7 DA -1 C 1 +ATOM 96 C C5 DA 5 . . A 1 10.499 72.718 -26.751 1.00 48.85 ? C5 DA -1 C 1 +ATOM 97 C C6 DA 5 . . A 1 10.431 71.323 -26.688 1.00 48.01 ? C6 DA -1 C 1 +ATOM 98 N N6 DA 5 . . A 1 10.155 70.530 -27.723 1.00 53.37 ? N6 DA -1 C 1 +ATOM 99 N N1 DA 5 . . A 1 10.668 70.748 -25.506 1.00 49.06 ? N1 DA -1 C 1 +ATOM 100 C C2 DA 5 . . A 1 10.966 71.521 -24.456 1.00 51.75 ? C2 DA -1 C 1 +ATOM 101 N N3 DA 5 . . A 1 11.071 72.840 -24.381 1.00 51.23 ? N3 DA -1 C 1 +ATOM 102 C C4 DA 5 . . A 1 10.815 73.385 -25.577 1.00 50.45 ? C4 DA -1 C 1 +ATOM 103 P P DA 6 . . A 1 13.350 78.050 -22.773 1.00 47.45 ? P DA 1 C 1 +ATOM 104 O OP1 DA 6 . . A 1 13.469 78.954 -21.582 1.00 45.49 ? OP1 DA 1 C 1 +ATOM 105 O OP2 DA 6 . . A 1 14.274 78.193 -23.934 1.00 42.5 ? OP2 DA 1 C 1 +ATOM 106 O "O5'" DA 6 . . A 1 13.498 76.545 -22.326 1.00 48.52 ? "O5'" DA 1 C 1 +ATOM 107 C "C5'" DA 6 . . A 1 12.567 75.958 -21.444 1.00 43.66 ? "C5'" DA 1 C 1 +ATOM 108 C "C4'" DA 6 . . A 1 13.127 74.642 -20.987 1.00 45.75 ? "C4'" DA 1 C 1 +ATOM 109 O "O4'" DA 6 . . A 1 13.034 73.740 -22.116 1.00 39.86 ? "O4'" DA 1 C 1 +ATOM 110 C "C3'" DA 6 . . A 1 14.615 74.720 -20.604 1.00 45.3 ? "C3'" DA 1 C 1 +ATOM 111 O "O3'" DA 6 . . A 1 14.788 74.066 -19.312 1.00 47.29 ? "O3'" DA 1 C 1 +ATOM 112 C "C2'" DA 6 . . A 1 15.331 74.106 -21.803 1.00 40.69 ? "C2'" DA 1 C 1 +ATOM 113 C "C1'" DA 6 . . A 1 14.294 73.152 -22.379 1.00 40.17 ? "C1'" DA 1 C 1 +ATOM 114 N N9 DA 6 . . A 1 14.311 72.882 -23.814 1.00 43.03 ? N9 DA 1 C 1 +ATOM 115 C C8 DA 6 . . A 1 14.560 73.738 -24.843 1.00 47.38 ? C8 DA 1 C 1 +ATOM 116 N N7 DA 6 . . A 1 14.454 73.186 -26.030 1.00 46.14 ? N7 DA 1 C 1 +ATOM 117 C C5 DA 6 . . A 1 14.118 71.871 -25.758 1.00 42.97 ? C5 DA 1 C 1 +ATOM 118 C C6 DA 6 . . A 1 13.824 70.756 -26.604 1.00 47.73 ? C6 DA 1 C 1 +ATOM 119 N N6 DA 6 . . A 1 13.851 70.790 -27.945 1.00 44.81 ? N6 DA 1 C 1 +ATOM 120 N N1 DA 6 . . A 1 13.494 69.592 -26.006 1.00 51.72 ? N1 DA 1 C 1 +ATOM 121 C C2 DA 6 . . A 1 13.464 69.553 -24.654 1.00 55 ? C2 DA 1 C 1 +ATOM 122 N N3 DA 6 . . A 1 13.717 70.525 -23.768 1.00 45.64 ? N3 DA 1 C 1 +ATOM 123 C C4 DA 6 . . A 1 14.039 71.668 -24.393 1.00 43.59 ? C4 DA 1 C 1 +ATOM 124 P P DA 7 . . A 1 16.253 73.696 -18.748 1.00 45.8 ? P DA 2 C 1 +ATOM 125 O OP1 DA 7 . . A 1 16.183 73.492 -17.271 1.00 44.06 ? OP1 DA 2 C 1 +ATOM 126 O OP2 DA 7 . . A 1 17.314 74.543 -19.344 1.00 42.72 ? OP2 DA 2 C 1 +ATOM 127 O "O5'" DA 7 . . A 1 16.478 72.240 -19.326 1.00 51.3 ? "O5'" DA 2 C 1 +ATOM 128 C "C5'" DA 7 . . A 1 15.493 71.236 -19.112 1.00 47.61 ? "C5'" DA 2 C 1 +ATOM 129 C "C4'" DA 7 . . A 1 15.922 69.943 -19.763 1.00 42.19 ? "C4'" DA 2 C 1 +ATOM 130 O "O4'" DA 7 . . A 1 15.790 70.056 -21.196 1.00 39.05 ? "O4'" DA 2 C 1 +ATOM 131 C "C3'" DA 7 . . A 1 17.371 69.560 -19.486 1.00 34.23 ? "C3'" DA 2 C 1 +ATOM 132 O "O3'" DA 7 . . A 1 17.340 68.254 -18.878 1.00 29.13 ? "O3'" DA 2 C 1 +ATOM 133 C "C2'" DA 7 . . A 1 18.022 69.640 -20.861 1.00 30.35 ? "C2'" DA 2 C 1 +ATOM 134 C "C1'" DA 7 . . A 1 16.863 69.442 -21.807 1.00 30.17 ? "C1'" DA 2 C 1 +ATOM 135 N N9 DA 7 . . A 1 17.041 70.086 -23.087 1.00 28.16 ? N9 DA 2 C 1 +ATOM 136 C C8 DA 7 . . A 1 17.331 71.391 -23.351 1.00 37.58 ? C8 DA 2 C 1 +ATOM 137 N N7 DA 7 . . A 1 17.451 71.662 -24.618 1.00 35.88 ? N7 DA 2 C 1 +ATOM 138 C C5 DA 7 . . A 1 17.221 70.435 -25.233 1.00 39.4 ? C5 DA 2 C 1 +ATOM 139 C C6 DA 7 . . A 1 17.271 70.012 -26.579 1.00 38.39 ? C6 DA 2 C 1 +ATOM 140 N N6 DA 7 . . A 1 17.514 70.816 -27.604 1.00 42.42 ? N6 DA 2 C 1 +ATOM 141 N N1 DA 7 . . A 1 17.058 68.710 -26.831 1.00 37.24 ? N1 DA 2 C 1 +ATOM 142 C C2 DA 7 . . A 1 16.808 67.890 -25.803 1.00 38.7 ? C2 DA 2 C 1 +ATOM 143 N N3 DA 7 . . A 1 16.734 68.161 -24.520 1.00 34.87 ? N3 DA 2 C 1 +ATOM 144 C C4 DA 7 . . A 1 16.957 69.467 -24.293 1.00 34.26 ? C4 DA 2 C 1 +ATOM 145 P P DG 8 . . A 1 18.711 67.431 -18.615 1.00 18.93 ? P DG 3 C 1 +ATOM 146 O OP1 DG 8 . . A 1 18.258 66.503 -17.501 1.00 17.51 ? OP1 DG 3 C 1 +ATOM 147 O OP2 DG 8 . . A 1 19.981 68.214 -18.499 1.00 15.92 ? OP2 DG 3 C 1 +ATOM 148 O "O5'" DG 8 . . A 1 18.863 66.613 -19.967 1.00 22.62 ? "O5'" DG 3 C 1 +ATOM 149 C "C5'" DG 8 . . A 1 17.817 65.715 -20.388 1.00 19.89 ? "C5'" DG 3 C 1 +ATOM 150 C "C4'" DG 8 . . A 1 18.278 64.931 -21.585 1.00 10.77 ? "C4'" DG 3 C 1 +ATOM 151 O "O4'" DG 8 . . A 1 18.382 65.896 -22.634 1.00 13.32 ? "O4'" DG 3 C 1 +ATOM 152 C "C3'" DG 8 . . A 1 19.678 64.313 -21.451 1.00 12.75 ? "C3'" DG 3 C 1 +ATOM 153 O "O3'" DG 8 . . A 1 19.583 62.928 -21.708 1.00 14.83 ? "O3'" DG 3 C 1 +ATOM 154 C "C2'" DG 8 . . A 1 20.508 65.046 -22.477 1.00 6 ? "C2'" DG 3 C 1 +ATOM 155 C "C1'" DG 8 . . A 1 19.427 65.526 -23.434 1.00 14.49 ? "C1'" DG 3 C 1 +ATOM 156 N N9 DG 8 . . A 1 19.855 66.655 -24.243 1.00 21.27 ? N9 DG 3 C 1 +ATOM 157 C C8 DG 8 . . A 1 20.562 67.748 -23.802 1.00 30.68 ? C8 DG 3 C 1 +ATOM 158 N N7 DG 8 . . A 1 20.895 68.569 -24.760 1.00 31.53 ? N7 DG 3 C 1 +ATOM 159 C C5 DG 8 . . A 1 20.359 67.993 -25.906 1.00 32.34 ? C5 DG 3 C 1 +ATOM 160 C C6 DG 8 . . A 1 20.455 68.399 -27.280 1.00 31.35 ? C6 DG 3 C 1 +ATOM 161 O O6 DG 8 . . A 1 21.035 69.435 -27.791 1.00 26.87 ? O6 DG 3 C 1 +ATOM 162 N N1 DG 8 . . A 1 19.800 67.489 -28.115 1.00 33.43 ? N1 DG 3 C 1 +ATOM 163 C C2 DG 8 . . A 1 19.146 66.362 -27.705 1.00 35.48 ? C2 DG 3 C 1 +ATOM 164 N N2 DG 8 . . A 1 18.574 65.651 -28.702 1.00 34.59 ? N2 DG 3 C 1 +ATOM 165 N N3 DG 8 . . A 1 19.058 65.967 -26.430 1.00 28.62 ? N3 DG 3 C 1 +ATOM 166 C C4 DG 8 . . A 1 19.686 66.821 -25.596 1.00 23.64 ? C4 DG 3 C 1 +ATOM 167 P P DT 9 . . A 1 20.899 62.044 -21.929 1.00 17.48 ? P DT 4 C 1 +ATOM 168 O OP1 DT 9 . . A 1 20.504 60.642 -21.676 1.00 28.44 ? OP1 DT 4 C 1 +ATOM 169 O OP2 DT 9 . . A 1 22.214 62.555 -21.389 1.00 21.5 ? OP2 DT 4 C 1 +ATOM 170 O "O5'" DT 9 . . A 1 21.133 62.257 -23.491 1.00 28.24 ? "O5'" DT 4 C 1 +ATOM 171 C "C5'" DT 9 . . A 1 20.299 61.671 -24.463 1.00 17.17 ? "C5'" DT 4 C 1 +ATOM 172 C "C4'" DT 9 . . A 1 21.077 61.568 -25.744 1.00 21.82 ? "C4'" DT 4 C 1 +ATOM 173 O "O4'" DT 9 . . A 1 21.197 62.933 -26.189 1.00 25.33 ? "O4'" DT 4 C 1 +ATOM 174 C "C3'" DT 9 . . A 1 22.517 61.030 -25.571 1.00 24.78 ? "C3'" DT 4 C 1 +ATOM 175 O "O3'" DT 9 . . A 1 22.744 59.961 -26.509 1.00 19.15 ? "O3'" DT 4 C 1 +ATOM 176 C "C2'" DT 9 . . A 1 23.425 62.234 -25.783 1.00 22.8 ? "C2'" DT 4 C 1 +ATOM 177 C "C1'" DT 9 . . A 1 22.531 63.164 -26.598 1.00 26.79 ? "C1'" DT 4 C 1 +ATOM 178 N N1 DT 9 . . A 1 22.802 64.613 -26.484 1.00 27.98 ? N1 DT 4 C 1 +ATOM 179 C C2 DT 9 . . A 1 22.857 65.297 -27.679 1.00 23.63 ? C2 DT 4 C 1 +ATOM 180 O O2 DT 9 . . A 1 22.666 64.738 -28.745 1.00 29.11 ? O2 DT 4 C 1 +ATOM 181 N N3 DT 9 . . A 1 23.139 66.653 -27.586 1.00 18.52 ? N3 DT 4 C 1 +ATOM 182 C C4 DT 9 . . A 1 23.365 67.368 -26.418 1.00 26.6 ? C4 DT 4 C 1 +ATOM 183 O O4 DT 9 . . A 1 23.613 68.594 -26.490 1.00 18.4 ? O4 DT 4 C 1 +ATOM 184 C C5 DT 9 . . A 1 23.281 66.557 -25.168 1.00 15.09 ? C5 DT 4 C 1 +ATOM 185 C C7 DT 9 . . A 1 23.523 67.217 -23.857 1.00 17.01 ? C7 DT 4 C 1 +ATOM 186 C C6 DT 9 . . A 1 23.003 65.249 -25.272 1.00 21.89 ? C6 DT 4 C 1 +ATOM 187 P P DG 10 . . A 1 24.220 59.323 -26.711 1.00 25.35 ? P DG 5 C 1 +ATOM 188 O OP1 DG 10 . . A 1 23.806 57.932 -26.932 1.00 24.62 ? OP1 DG 5 C 1 +ATOM 189 O OP2 DG 10 . . A 1 25.315 59.649 -25.757 1.00 23.48 ? OP2 DG 5 C 1 +ATOM 190 O "O5'" DG 10 . . A 1 24.653 59.869 -28.138 1.00 32.8 ? "O5'" DG 5 C 1 +ATOM 191 C "C5'" DG 10 . . A 1 23.752 59.614 -29.225 1.00 36.5 ? "C5'" DG 5 C 1 +ATOM 192 C "C4'" DG 10 . . A 1 24.415 59.818 -30.556 1.00 25.94 ? "C4'" DG 5 C 1 +ATOM 193 O "O4'" DG 10 . . A 1 24.753 61.197 -30.595 1.00 28.89 ? "O4'" DG 5 C 1 +ATOM 194 C "C3'" DG 10 . . A 1 25.685 59.022 -30.785 1.00 34.63 ? "C3'" DG 5 C 1 +ATOM 195 O "O3'" DG 10 . . A 1 25.620 58.394 -32.092 1.00 32.43 ? "O3'" DG 5 C 1 +ATOM 196 C "C2'" DG 10 . . A 1 26.799 60.023 -30.503 1.00 33.78 ? "C2'" DG 5 C 1 +ATOM 197 C "C1'" DG 10 . . A 1 26.143 61.394 -30.612 1.00 35.99 ? "C1'" DG 5 C 1 +ATOM 198 N N9 DG 10 . . A 1 26.408 62.369 -29.558 1.00 40.06 ? N9 DG 5 C 1 +ATOM 199 C C8 DG 10 . . A 1 26.645 62.115 -28.231 1.00 35.11 ? C8 DG 5 C 1 +ATOM 200 N N7 DG 10 . . A 1 26.819 63.202 -27.521 1.00 33.83 ? N7 DG 5 C 1 +ATOM 201 C C5 DG 10 . . A 1 26.690 64.246 -28.429 1.00 37.23 ? C5 DG 5 C 1 +ATOM 202 C C6 DG 10 . . A 1 26.781 65.665 -28.231 1.00 33.12 ? C6 DG 5 C 1 +ATOM 203 O O6 DG 10 . . A 1 26.979 66.277 -27.196 1.00 36.14 ? O6 DG 5 C 1 +ATOM 204 N N1 DG 10 . . A 1 26.610 66.365 -29.415 1.00 35.63 ? N1 DG 5 C 1 +ATOM 205 C C2 DG 10 . . A 1 26.384 65.789 -30.646 1.00 38.08 ? C2 DG 5 C 1 +ATOM 206 N N2 DG 10 . . A 1 26.275 66.639 -31.649 1.00 35.21 ? N2 DG 5 C 1 +ATOM 207 N N3 DG 10 . . A 1 26.281 64.466 -30.863 1.00 37.93 ? N3 DG 5 C 1 +ATOM 208 C C4 DG 10 . . A 1 26.445 63.757 -29.704 1.00 41.91 ? C4 DG 5 C 1 +ATOM 209 P P DT 11 . . A 1 26.965 58.071 -32.910 1.00 40.56 ? P DT 6 C 1 +ATOM 210 O OP1 DT 11 . . A 1 26.564 57.966 -34.310 1.00 35.2 ? OP1 DT 6 C 1 +ATOM 211 O OP2 DT 11 . . A 1 27.790 56.985 -32.319 1.00 36 ? OP2 DT 6 C 1 +ATOM 212 O "O5'" DT 11 . . A 1 27.764 59.412 -32.739 1.00 33.05 ? "O5'" DT 6 C 1 +ATOM 213 C "C5'" DT 11 . . A 1 27.400 60.519 -33.495 1.00 25.39 ? "C5'" DT 6 C 1 +ATOM 214 C "C4'" DT 11 . . A 1 28.601 60.978 -34.243 1.00 33.42 ? "C4'" DT 6 C 1 +ATOM 215 O "O4'" DT 11 . . A 1 29.078 62.130 -33.549 1.00 33.86 ? "O4'" DT 6 C 1 +ATOM 216 C "C3'" DT 11 . . A 1 29.747 59.969 -34.226 1.00 43.29 ? "C3'" DT 6 C 1 +ATOM 217 O "O3'" DT 11 . . A 1 30.483 60.179 -35.440 1.00 54.14 ? "O3'" DT 6 C 1 +ATOM 218 C "C2'" DT 11 . . A 1 30.549 60.369 -32.992 1.00 37.21 ? "C2'" DT 6 C 1 +ATOM 219 C "C1'" DT 11 . . A 1 30.302 61.878 -32.866 1.00 37.56 ? "C1'" DT 6 C 1 +ATOM 220 N N1 DT 11 . . A 1 30.084 62.366 -31.495 1.00 38.76 ? N1 DT 6 C 1 +ATOM 221 C C2 DT 11 . . A 1 29.879 63.727 -31.286 1.00 38.07 ? C2 DT 6 C 1 +ATOM 222 O O2 DT 11 . . A 1 29.906 64.568 -32.164 1.00 37.79 ? O2 DT 6 C 1 +ATOM 223 N N3 DT 11 . . A 1 29.643 64.073 -29.991 1.00 42.06 ? N3 DT 6 C 1 +ATOM 224 C C4 DT 11 . . A 1 29.600 63.230 -28.901 1.00 43.79 ? C4 DT 6 C 1 +ATOM 225 O O4 DT 11 . . A 1 29.371 63.699 -27.790 1.00 42.64 ? O4 DT 6 C 1 +ATOM 226 C C5 DT 11 . . A 1 29.841 61.814 -29.195 1.00 42.21 ? C5 DT 6 C 1 +ATOM 227 C C7 DT 11 . . A 1 29.822 60.814 -28.086 1.00 42.65 ? C7 DT 6 C 1 +ATOM 228 C C6 DT 11 . . A 1 30.069 61.470 -30.457 1.00 37.01 ? C6 DT 6 C 1 +ATOM 229 P P DG 12 . . A 1 31.343 59.002 -36.098 1.00 53.86 ? P DG 7 C 1 +ATOM 230 O OP1 DG 12 . . A 1 31.126 59.181 -37.584 1.00 47.74 ? OP1 DG 7 C 1 +ATOM 231 O OP2 DG 12 . . A 1 31.029 57.678 -35.465 1.00 55 ? OP2 DG 7 C 1 +ATOM 232 O "O5'" DG 12 . . A 1 32.825 59.451 -35.688 1.00 52.23 ? "O5'" DG 7 C 1 +ATOM 233 C "C5'" DG 12 . . A 1 33.372 60.676 -36.214 1.00 51.25 ? "C5'" DG 7 C 1 +ATOM 234 C "C4'" DG 12 . . A 1 34.721 61.016 -35.603 1.00 50.7 ? "C4'" DG 7 C 1 +ATOM 235 O "O4'" DG 12 . . A 1 34.534 61.717 -34.355 1.00 49.07 ? "O4'" DG 7 C 1 +ATOM 236 C "C3'" DG 12 . . A 1 35.666 59.854 -35.291 1.00 53.77 ? "C3'" DG 7 C 1 +ATOM 237 O "O3'" DG 12 . . A 1 37.034 60.280 -35.526 1.00 50.25 ? "O3'" DG 7 C 1 +ATOM 238 C "C2'" DG 12 . . A 1 35.403 59.617 -33.808 1.00 54.16 ? "C2'" DG 7 C 1 +ATOM 239 C "C1'" DG 12 . . A 1 35.221 61.043 -33.315 1.00 52.84 ? "C1'" DG 7 C 1 +ATOM 240 N N9 DG 12 . . A 1 34.427 61.208 -32.107 1.00 49.18 ? N9 DG 7 C 1 +ATOM 241 C C8 DG 12 . . A 1 33.357 60.460 -31.688 1.00 49.23 ? C8 DG 7 C 1 +ATOM 242 N N7 DG 12 . . A 1 32.859 60.885 -30.559 1.00 49.36 ? N7 DG 7 C 1 +ATOM 243 C C5 DG 12 . . A 1 33.658 61.972 -30.223 1.00 45.61 ? C5 DG 7 C 1 +ATOM 244 C C6 DG 12 . . A 1 33.595 62.855 -29.120 1.00 43.93 ? C6 DG 7 C 1 +ATOM 245 O O6 DG 12 . . A 1 32.817 62.849 -28.181 1.00 48.29 ? O6 DG 7 C 1 +ATOM 246 N N1 DG 12 . . A 1 34.572 63.828 -29.184 1.00 48.24 ? N1 DG 7 C 1 +ATOM 247 C C2 DG 12 . . A 1 35.501 63.943 -30.187 1.00 51.08 ? C2 DG 7 C 1 +ATOM 248 N N2 DG 12 . . A 1 36.385 64.954 -30.084 1.00 48.89 ? N2 DG 7 C 1 +ATOM 249 N N3 DG 12 . . A 1 35.566 63.129 -31.218 1.00 51.58 ? N3 DG 7 C 1 +ATOM 250 C C4 DG 12 . . A 1 34.622 62.174 -31.171 1.00 45.71 ? C4 DG 7 C 1 +ATOM 251 P P DA 13 . . A 1 38.033 59.370 -36.407 1.00 50.53 ? P DA 8 C 1 +ATOM 252 O OP1 DA 13 . . A 1 37.594 59.400 -37.818 1.00 54.92 ? OP1 DA 8 C 1 +ATOM 253 O OP2 DA 13 . . A 1 38.282 58.052 -35.740 1.00 48.74 ? OP2 DA 8 C 1 +ATOM 254 O "O5'" DA 13 . . A 1 39.371 60.212 -36.338 1.00 53.18 ? "O5'" DA 8 C 1 +ATOM 255 C "C5'" DA 13 . . A 1 39.365 61.593 -36.705 1.00 48.77 ? "C5'" DA 8 C 1 +ATOM 256 C "C4'" DA 13 . . A 1 40.338 62.376 -35.849 1.00 50.89 ? "C4'" DA 8 C 1 +ATOM 257 O "O4'" DA 13 . . A 1 39.680 62.759 -34.612 1.00 54 ? "O4'" DA 8 C 1 +ATOM 258 C "C3'" DA 13 . . A 1 41.610 61.600 -35.469 1.00 49.06 ? "C3'" DA 8 C 1 +ATOM 259 O "O3'" DA 13 . . A 1 42.807 62.293 -35.881 1.00 50.06 ? "O3'" DA 8 C 1 +ATOM 260 C "C2'" DA 13 . . A 1 41.509 61.350 -33.967 1.00 49.82 ? "C2'" DA 8 C 1 +ATOM 261 C "C1'" DA 13 . . A 1 40.409 62.289 -33.477 1.00 49.02 ? "C1'" DA 8 C 1 +ATOM 262 N N9 DA 13 . . A 1 39.451 61.633 -32.614 1.00 42.96 ? N9 DA 8 C 1 +ATOM 263 C C8 DA 13 . . A 1 38.713 60.510 -32.851 1.00 44.89 ? C8 DA 8 C 1 +ATOM 264 N N7 DA 13 . . A 1 37.921 60.181 -31.860 1.00 46.16 ? N7 DA 8 C 1 +ATOM 265 C C5 DA 13 . . A 1 38.160 61.165 -30.899 1.00 47.1 ? C5 DA 8 C 1 +ATOM 266 C C6 DA 13 . . A 1 37.648 61.391 -29.589 1.00 41.87 ? C6 DA 8 C 1 +ATOM 267 N N6 DA 13 . . A 1 36.742 60.623 -28.960 1.00 44.15 ? N6 DA 8 C 1 +ATOM 268 N N1 DA 13 . . A 1 38.122 62.460 -28.929 1.00 47.7 ? N1 DA 8 C 1 +ATOM 269 C C2 DA 13 . . A 1 39.055 63.243 -29.525 1.00 49.8 ? C2 DA 8 C 1 +ATOM 270 N N3 DA 13 . . A 1 39.609 63.127 -30.722 1.00 43.83 ? N3 DA 8 C 1 +ATOM 271 C C4 DA 13 . . A 1 39.109 62.061 -31.364 1.00 44.77 ? C4 DA 8 C 1 +ATOM 272 P P DC 14 . . A 1 43.209 63.711 -35.215 1.00 55 ? P DC 9 C 1 +ATOM 273 O OP1 DC 14 . . A 1 42.187 64.272 -34.220 1.00 45.38 ? OP1 DC 9 C 1 +ATOM 274 O OP2 DC 14 . . A 1 43.640 64.570 -36.356 1.00 55 ? OP2 DC 9 C 1 +ATOM 275 O "O5'" DC 14 . . A 1 44.591 63.333 -34.488 1.00 55 ? "O5'" DC 9 C 1 +ATOM 276 C "C5'" DC 14 . . A 1 44.629 62.522 -33.292 1.00 55 ? "C5'" DC 9 C 1 +ATOM 277 C "C4'" DC 14 . . A 1 44.806 63.399 -32.071 1.00 55 ? "C4'" DC 9 C 1 +ATOM 278 O "O4'" DC 14 . . A 1 43.485 63.682 -31.530 1.00 55 ? "O4'" DC 9 C 1 +ATOM 279 C "C3'" DC 14 . . A 1 45.575 62.759 -30.908 1.00 55 ? "C3'" DC 9 C 1 +ATOM 280 O "O3'" DC 14 . . A 1 47.034 62.836 -30.939 1.00 51.34 ? "O3'" DC 9 C 1 +ATOM 281 C "C2'" DC 14 . . A 1 45.014 63.518 -29.719 1.00 53.94 ? "C2'" DC 9 C 1 +ATOM 282 C "C1'" DC 14 . . A 1 43.543 63.632 -30.101 1.00 55 ? "C1'" DC 9 C 1 +ATOM 283 N N1 DC 14 . . A 1 42.749 62.473 -29.677 1.00 53.8 ? N1 DC 9 C 1 +ATOM 284 C C2 DC 14 . . A 1 41.948 62.577 -28.531 1.00 55 ? C2 DC 9 C 1 +ATOM 285 O O2 DC 14 . . A 1 41.933 63.659 -27.875 1.00 51.65 ? O2 DC 9 C 1 +ATOM 286 N N3 DC 14 . . A 1 41.209 61.505 -28.160 1.00 55 ? N3 DC 9 C 1 +ATOM 287 C C4 DC 14 . . A 1 41.251 60.373 -28.874 1.00 51.33 ? C4 DC 9 C 1 +ATOM 288 N N4 DC 14 . . A 1 40.490 59.342 -28.467 1.00 50.82 ? N4 DC 9 C 1 +ATOM 289 C C5 DC 14 . . A 1 42.063 60.246 -30.030 1.00 47.38 ? C5 DC 9 C 1 +ATOM 290 C C6 DC 14 . . A 1 42.788 61.309 -30.393 1.00 50.58 ? C6 DC 9 C 1 +ATOM 291 O "O5'" DG 1 . . C 1 76.815 50.937 20.413 1.00 52.03 ? "O5'" DG 27 E 1 +ATOM 292 C "C5'" DG 1 . . C 1 76.054 50.947 19.139 1.00 53.94 ? "C5'" DG 27 E 1 +ATOM 293 C "C4'" DG 1 . . C 1 75.889 49.574 18.513 1.00 51.38 ? "C4'" DG 27 E 1 +ATOM 294 O "O4'" DG 1 . . C 1 74.911 48.814 19.274 1.00 46.86 ? "O4'" DG 27 E 1 +ATOM 295 C "C3'" DG 1 . . C 1 75.394 49.567 17.056 1.00 51.37 ? "C3'" DG 27 E 1 +ATOM 296 O "O3'" DG 1 . . C 1 75.926 48.411 16.350 1.00 50.51 ? "O3'" DG 27 E 1 +ATOM 297 C "C2'" DG 1 . . C 1 73.899 49.383 17.243 1.00 43.52 ? "C2'" DG 27 E 1 +ATOM 298 C "C1'" DG 1 . . C 1 73.922 48.381 18.380 1.00 44.32 ? "C1'" DG 27 E 1 +ATOM 299 N N9 DG 1 . . C 1 72.671 48.258 19.097 1.00 45.59 ? N9 DG 27 E 1 +ATOM 300 C C8 DG 1 . . C 1 71.886 49.247 19.620 1.00 44.53 ? C8 DG 27 E 1 +ATOM 301 N N7 DG 1 . . C 1 70.800 48.789 20.181 1.00 42.86 ? N7 DG 27 E 1 +ATOM 302 C C5 DG 1 . . C 1 70.888 47.416 20.018 1.00 44.9 ? C5 DG 27 E 1 +ATOM 303 C C6 DG 1 . . C 1 69.997 46.398 20.364 1.00 40.74 ? C6 DG 27 E 1 +ATOM 304 O O6 DG 1 . . C 1 68.912 46.488 20.927 1.00 37.4 ? O6 DG 27 E 1 +ATOM 305 N N1 DG 1 . . C 1 70.472 45.144 19.975 1.00 48.9 ? N1 DG 27 E 1 +ATOM 306 C C2 DG 1 . . C 1 71.645 44.910 19.330 1.00 43.29 ? C2 DG 27 E 1 +ATOM 307 N N2 DG 1 . . C 1 71.934 43.644 19.044 1.00 46.92 ? N2 DG 27 E 1 +ATOM 308 N N3 DG 1 . . C 1 72.481 45.855 18.991 1.00 48.53 ? N3 DG 27 E 1 +ATOM 309 C C4 DG 1 . . C 1 72.041 47.079 19.362 1.00 48.5 ? C4 DG 27 E 1 +ATOM 310 P P DC 2 . . C 1 77.243 48.546 15.372 1.00 55 ? P DC 26 E 1 +ATOM 311 O OP1 DC 2 . . C 1 78.447 49.313 15.988 1.00 49.85 ? OP1 DC 26 E 1 +ATOM 312 O OP2 DC 2 . . C 1 76.668 48.997 14.044 1.00 51.68 ? OP2 DC 26 E 1 +ATOM 313 O "O5'" DC 2 . . C 1 77.710 47.015 15.131 1.00 55 ? "O5'" DC 26 E 1 +ATOM 314 C "C5'" DC 2 . . C 1 77.827 46.054 16.232 1.00 55 ? "C5'" DC 26 E 1 +ATOM 315 C "C4'" DC 2 . . C 1 77.505 44.639 15.778 1.00 51.81 ? "C4'" DC 26 E 1 +ATOM 316 O "O4'" DC 2 . . C 1 76.285 44.147 16.368 1.00 51.44 ? "O4'" DC 26 E 1 +ATOM 317 C "C3'" DC 2 . . C 1 77.301 44.546 14.290 1.00 49.35 ? "C3'" DC 26 E 1 +ATOM 318 O "O3'" DC 2 . . C 1 78.538 44.108 13.821 1.00 54.36 ? "O3'" DC 26 E 1 +ATOM 319 C "C2'" DC 2 . . C 1 76.171 43.547 14.091 1.00 48.19 ? "C2'" DC 26 E 1 +ATOM 320 C "C1'" DC 2 . . C 1 75.409 43.551 15.403 1.00 49.02 ? "C1'" DC 26 E 1 +ATOM 321 N N1 DC 2 . . C 1 74.121 44.276 15.515 1.00 51.88 ? N1 DC 26 E 1 +ATOM 322 C C2 DC 2 . . C 1 73.000 43.598 16.103 1.00 53.04 ? C2 DC 26 E 1 +ATOM 323 O O2 DC 2 . . C 1 73.110 42.407 16.459 1.00 47.84 ? O2 DC 26 E 1 +ATOM 324 N N3 DC 2 . . C 1 71.828 44.278 16.261 1.00 52.98 ? N3 DC 26 E 1 +ATOM 325 C C4 DC 2 . . C 1 71.730 45.558 15.859 1.00 51.67 ? C4 DC 26 E 1 +ATOM 326 N N4 DC 2 . . C 1 70.567 46.165 16.047 1.00 43.98 ? N4 DC 26 E 1 +ATOM 327 C C5 DC 2 . . C 1 72.830 46.257 15.249 1.00 49.23 ? C5 DC 26 E 1 +ATOM 328 C C6 DC 2 . . C 1 73.993 45.583 15.094 1.00 50.39 ? C6 DC 26 E 1 +ATOM 329 P P DG 3 . . C 1 79.173 44.843 12.573 1.00 55 ? P DG 25 E 1 +ATOM 330 O OP1 DG 3 . . C 1 80.584 44.328 12.444 1.00 55 ? OP1 DG 25 E 1 +ATOM 331 O OP2 DG 3 . . C 1 78.966 46.306 12.897 1.00 55 ? OP2 DG 25 E 1 +ATOM 332 O "O5'" DG 3 . . C 1 78.196 44.364 11.359 1.00 55 ? "O5'" DG 25 E 1 +ATOM 333 C "C5'" DG 3 . . C 1 78.478 43.209 10.495 1.00 52.26 ? "C5'" DG 25 E 1 +ATOM 334 C "C4'" DG 3 . . C 1 77.452 42.082 10.656 1.00 54.91 ? "C4'" DG 25 E 1 +ATOM 335 O "O4'" DG 3 . . C 1 76.352 42.332 11.592 1.00 52.47 ? "O4'" DG 25 E 1 +ATOM 336 C "C3'" DG 3 . . C 1 76.787 41.631 9.357 1.00 52.97 ? "C3'" DG 25 E 1 +ATOM 337 O "O3'" DG 3 . . C 1 76.872 40.204 9.195 1.00 55 ? "O3'" DG 25 E 1 +ATOM 338 C "C2'" DG 3 . . C 1 75.325 42.029 9.526 1.00 46.88 ? "C2'" DG 25 E 1 +ATOM 339 C "C1'" DG 3 . . C 1 75.059 42.062 11.019 1.00 45.56 ? "C1'" DG 25 E 1 +ATOM 340 N N9 DG 3 . . C 1 74.155 43.181 11.354 1.00 49.9 ? N9 DG 25 E 1 +ATOM 341 C C8 DG 3 . . C 1 74.374 44.512 10.982 1.00 48.23 ? C8 DG 25 E 1 +ATOM 342 N N7 DG 3 . . C 1 73.428 45.341 11.395 1.00 54.11 ? N7 DG 25 E 1 +ATOM 343 C C5 DG 3 . . C 1 72.508 44.523 12.092 1.00 53.48 ? C5 DG 25 E 1 +ATOM 344 C C6 DG 3 . . C 1 71.237 44.842 12.755 1.00 51.42 ? C6 DG 25 E 1 +ATOM 345 O O6 DG 3 . . C 1 70.631 45.910 12.948 1.00 54.79 ? O6 DG 25 E 1 +ATOM 346 N N1 DG 3 . . C 1 70.590 43.717 13.342 1.00 51.03 ? N1 DG 25 E 1 +ATOM 347 C C2 DG 3 . . C 1 71.130 42.430 13.246 1.00 48.33 ? C2 DG 25 E 1 +ATOM 348 N N2 DG 3 . . C 1 70.361 41.479 13.843 1.00 51.08 ? N2 DG 25 E 1 +ATOM 349 N N3 DG 3 . . C 1 72.305 42.100 12.630 1.00 55 ? N3 DG 25 E 1 +ATOM 350 C C4 DG 3 . . C 1 72.933 43.175 12.079 1.00 55 ? C4 DG 25 E 1 +ATOM 351 P P DA 4 . . C 1 75.959 39.437 8.054 1.00 55 ? P DA 24 E 1 +ATOM 352 O OP1 DA 4 . . C 1 76.876 38.575 7.240 1.00 55 ? OP1 DA 24 E 1 +ATOM 353 O OP2 DA 4 . . C 1 74.999 40.347 7.343 1.00 55 ? OP2 DA 24 E 1 +ATOM 354 O "O5'" DA 4 . . C 1 74.998 38.491 8.907 1.00 55 ? "O5'" DA 24 E 1 +ATOM 355 C "C5'" DA 4 . . C 1 74.545 37.267 8.371 1.00 49.21 ? "C5'" DA 24 E 1 +ATOM 356 C "C4'" DA 4 . . C 1 73.080 37.354 8.023 1.00 53.41 ? "C4'" DA 24 E 1 +ATOM 357 O "O4'" DA 4 . . C 1 72.543 38.610 8.503 1.00 55 ? "O4'" DA 24 E 1 +ATOM 358 C "C3'" DA 4 . . C 1 72.777 37.314 6.525 1.00 53.84 ? "C3'" DA 24 E 1 +ATOM 359 O "O3'" DA 4 . . C 1 72.005 36.138 6.223 1.00 55 ? "O3'" DA 24 E 1 +ATOM 360 C "C2'" DA 4 . . C 1 71.991 38.601 6.269 1.00 51.21 ? "C2'" DA 24 E 1 +ATOM 361 C "C1'" DA 4 . . C 1 71.495 39.001 7.641 1.00 53.09 ? "C1'" DA 24 E 1 +ATOM 362 N N9 DA 4 . . C 1 71.258 40.434 7.851 1.00 51.31 ? N9 DA 24 E 1 +ATOM 363 C C8 DA 4 . . C 1 71.943 41.479 7.286 1.00 50.95 ? C8 DA 24 E 1 +ATOM 364 N N7 DA 4 . . C 1 71.514 42.663 7.669 1.00 50.11 ? N7 DA 24 E 1 +ATOM 365 C C5 DA 4 . . C 1 70.476 42.382 8.549 1.00 49.64 ? C5 DA 24 E 1 +ATOM 366 C C6 DA 4 . . C 1 69.595 43.218 9.293 1.00 46.44 ? C6 DA 24 E 1 +ATOM 367 N N6 DA 4 . . C 1 69.656 44.541 9.291 1.00 45.03 ? N6 DA 24 E 1 +ATOM 368 N N1 DA 4 . . C 1 68.649 42.627 10.048 1.00 45.59 ? N1 DA 24 E 1 +ATOM 369 C C2 DA 4 . . C 1 68.590 41.290 10.062 1.00 47.74 ? C2 DA 24 E 1 +ATOM 370 N N3 DA 4 . . C 1 69.356 40.395 9.419 1.00 50.88 ? N3 DA 24 E 1 +ATOM 371 C C4 DA 4 . . C 1 70.296 41.013 8.669 1.00 52.45 ? C4 DA 24 E 1 +ATOM 372 P P DA 5 . . C 1 71.714 35.715 4.677 1.00 54.54 ? P DA 23 E 1 +ATOM 373 O OP1 DA 5 . . C 1 72.718 34.754 4.100 1.00 49.35 ? OP1 DA 23 E 1 +ATOM 374 O OP2 DA 5 . . C 1 71.403 36.956 3.919 1.00 55 ? OP2 DA 23 E 1 +ATOM 375 O "O5'" DA 5 . . C 1 70.316 34.963 4.838 1.00 55 ? "O5'" DA 23 E 1 +ATOM 376 C "C5'" DA 5 . . C 1 69.127 35.548 4.284 1.00 55 ? "C5'" DA 23 E 1 +ATOM 377 C "C4'" DA 5 . . C 1 68.169 35.984 5.370 1.00 55 ? "C4'" DA 23 E 1 +ATOM 378 O "O4'" DA 5 . . C 1 68.656 37.171 6.062 1.00 55 ? "O4'" DA 23 E 1 +ATOM 379 C "C3'" DA 5 . . C 1 66.821 36.393 4.764 1.00 55 ? "C3'" DA 23 E 1 +ATOM 380 O "O3'" DA 5 . . C 1 65.731 36.062 5.641 1.00 53.81 ? "O3'" DA 23 E 1 +ATOM 381 C "C2'" DA 5 . . C 1 66.940 37.894 4.704 1.00 51.47 ? "C2'" DA 23 E 1 +ATOM 382 C "C1'" DA 5 . . C 1 67.585 38.100 6.055 1.00 55 ? "C1'" DA 23 E 1 +ATOM 383 N N9 DA 5 . . C 1 68.118 39.441 6.145 1.00 52.72 ? N9 DA 23 E 1 +ATOM 384 C C8 DA 5 . . C 1 69.365 39.874 5.813 1.00 54.03 ? C8 DA 23 E 1 +ATOM 385 N N7 DA 5 . . C 1 69.536 41.161 5.982 1.00 53.57 ? N7 DA 23 E 1 +ATOM 386 C C5 DA 5 . . C 1 68.306 41.601 6.463 1.00 54.44 ? C5 DA 23 E 1 +ATOM 387 C C6 DA 5 . . C 1 67.842 42.879 6.823 1.00 53.98 ? C6 DA 23 E 1 +ATOM 388 N N6 DA 5 . . C 1 68.618 43.955 6.763 1.00 45.51 ? N6 DA 23 E 1 +ATOM 389 N N1 DA 5 . . C 1 66.557 43.000 7.249 1.00 53.5 ? N1 DA 23 E 1 +ATOM 390 C C2 DA 5 . . C 1 65.801 41.870 7.314 1.00 50.02 ? C2 DA 23 E 1 +ATOM 391 N N3 DA 5 . . C 1 66.139 40.608 7.005 1.00 47.55 ? N3 DA 23 E 1 +ATOM 392 C C4 DA 5 . . C 1 67.423 40.547 6.576 1.00 51.14 ? C4 DA 23 E 1 +ATOM 393 P P DA 6 . . C 1 64.302 35.689 5.007 1.00 53.92 ? P DA 22 E 1 +ATOM 394 O OP1 DA 6 . . C 1 63.736 34.474 5.679 1.00 49.17 ? OP1 DA 22 E 1 +ATOM 395 O OP2 DA 6 . . C 1 64.476 35.720 3.504 1.00 51.84 ? OP2 DA 22 E 1 +ATOM 396 O "O5'" DA 6 . . C 1 63.365 36.935 5.359 1.00 55 ? "O5'" DA 22 E 1 +ATOM 397 C "C5'" DA 6 . . C 1 63.127 37.367 6.715 1.00 46.95 ? "C5'" DA 22 E 1 +ATOM 398 C "C4'" DA 6 . . C 1 62.418 38.710 6.735 1.00 45.04 ? "C4'" DA 22 E 1 +ATOM 399 O "O4'" DA 6 . . C 1 63.347 39.798 6.439 1.00 47.43 ? "O4'" DA 22 E 1 +ATOM 400 C "C3'" DA 6 . . C 1 61.279 38.817 5.729 1.00 38.46 ? "C3'" DA 22 E 1 +ATOM 401 O "O3'" DA 6 . . C 1 60.065 39.212 6.372 1.00 38.57 ? "O3'" DA 22 E 1 +ATOM 402 C "C2'" DA 6 . . C 1 61.767 39.813 4.677 1.00 47.54 ? "C2'" DA 22 E 1 +ATOM 403 C "C1'" DA 6 . . C 1 62.889 40.611 5.347 1.00 47.32 ? "C1'" DA 22 E 1 +ATOM 404 N N9 DA 6 . . C 1 64.064 40.975 4.511 1.00 44.09 ? N9 DA 22 E 1 +ATOM 405 C C8 DA 6 . . C 1 64.814 40.206 3.639 1.00 43.81 ? C8 DA 22 E 1 +ATOM 406 N N7 DA 6 . . C 1 65.809 40.852 3.078 1.00 34.03 ? N7 DA 22 E 1 +ATOM 407 C C5 DA 6 . . C 1 65.714 42.126 3.599 1.00 35.7 ? C5 DA 22 E 1 +ATOM 408 C C6 DA 6 . . C 1 66.490 43.303 3.408 1.00 42.53 ? C6 DA 22 E 1 +ATOM 409 N N6 DA 6 . . C 1 67.561 43.378 2.626 1.00 31.47 ? N6 DA 22 E 1 +ATOM 410 N N1 DA 6 . . C 1 66.115 44.416 4.078 1.00 45.66 ? N1 DA 22 E 1 +ATOM 411 C C2 DA 6 . . C 1 65.041 44.339 4.896 1.00 49.43 ? C2 DA 22 E 1 +ATOM 412 N N3 DA 6 . . C 1 64.248 43.300 5.167 1.00 41.35 ? N3 DA 22 E 1 +ATOM 413 C C4 DA 6 . . C 1 64.640 42.221 4.480 1.00 42.45 ? C4 DA 22 E 1 +ATOM 414 P P DA 7 . . C 1 58.670 39.179 5.549 1.00 44.62 ? P DA 21 E 1 +ATOM 415 O OP1 DA 7 . . C 1 57.556 38.836 6.486 1.00 32.06 ? OP1 DA 21 E 1 +ATOM 416 O OP2 DA 7 . . C 1 58.857 38.382 4.286 1.00 46.37 ? OP2 DA 21 E 1 +ATOM 417 O "O5'" DA 7 . . C 1 58.475 40.712 5.107 1.00 42.28 ? "O5'" DA 21 E 1 +ATOM 418 C "C5'" DA 7 . . C 1 59.597 41.523 4.708 1.00 38.93 ? "C5'" DA 21 E 1 +ATOM 419 C "C4'" DA 7 . . C 1 59.318 42.993 4.955 1.00 41.83 ? "C4'" DA 21 E 1 +ATOM 420 O "O4'" DA 7 . . C 1 60.555 43.697 4.734 1.00 32.73 ? "O4'" DA 21 E 1 +ATOM 421 C "C3'" DA 7 . . C 1 58.295 43.629 3.997 1.00 41.75 ? "C3'" DA 21 E 1 +ATOM 422 O "O3'" DA 7 . . C 1 57.548 44.734 4.575 1.00 39.58 ? "O3'" DA 21 E 1 +ATOM 423 C "C2'" DA 7 . . C 1 59.157 44.133 2.869 1.00 39.3 ? "C2'" DA 21 E 1 +ATOM 424 C "C1'" DA 7 . . C 1 60.468 44.469 3.546 1.00 39.63 ? "C1'" DA 21 E 1 +ATOM 425 N N9 DA 7 . . C 1 61.565 44.068 2.695 1.00 38.52 ? N9 DA 21 E 1 +ATOM 426 C C8 DA 7 . . C 1 61.926 42.789 2.346 1.00 38.92 ? C8 DA 21 E 1 +ATOM 427 N N7 DA 7 . . C 1 62.978 42.730 1.564 1.00 43.3 ? N7 DA 21 E 1 +ATOM 428 C C5 DA 7 . . C 1 63.326 44.063 1.383 1.00 38.01 ? C5 DA 21 E 1 +ATOM 429 C C6 DA 7 . . C 1 64.335 44.671 0.640 1.00 38.24 ? C6 DA 21 E 1 +ATOM 430 N N6 DA 7 . . C 1 65.220 43.983 -0.069 1.00 37.92 ? N6 DA 21 E 1 +ATOM 431 N N1 DA 7 . . C 1 64.398 46.027 0.648 1.00 37.53 ? N1 DA 21 E 1 +ATOM 432 C C2 DA 7 . . C 1 63.490 46.703 1.367 1.00 42.33 ? C2 DA 21 E 1 +ATOM 433 N N3 DA 7 . . C 1 62.477 46.234 2.116 1.00 41.43 ? N3 DA 21 E 1 +ATOM 434 C C4 DA 7 . . C 1 62.456 44.894 2.077 1.00 41.22 ? C4 DA 21 E 1 +ATOM 435 P P DG 8 . . C 1 56.496 45.563 3.651 1.00 35.88 ? P DG 20 E 1 +ATOM 436 O OP1 DG 8 . . C 1 55.614 46.437 4.478 1.00 31.43 ? OP1 DG 20 E 1 +ATOM 437 O OP2 DG 8 . . C 1 55.882 44.663 2.625 1.00 35.43 ? OP2 DG 20 E 1 +ATOM 438 O "O5'" DG 8 . . C 1 57.478 46.525 2.901 1.00 29.98 ? "O5'" DG 20 E 1 +ATOM 439 C "C5'" DG 8 . . C 1 58.003 47.636 3.583 1.00 34.54 ? "C5'" DG 20 E 1 +ATOM 440 C "C4'" DG 8 . . C 1 58.814 48.442 2.615 1.00 33.02 ? "C4'" DG 20 E 1 +ATOM 441 O "O4'" DG 8 . . C 1 59.779 47.534 2.041 1.00 34.59 ? "O4'" DG 20 E 1 +ATOM 442 C "C3'" DG 8 . . C 1 58.001 48.962 1.445 1.00 28.18 ? "C3'" DG 20 E 1 +ATOM 443 O "O3'" DG 8 . . C 1 58.368 50.304 1.267 1.00 31.84 ? "O3'" DG 20 E 1 +ATOM 444 C "C2'" DG 8 . . C 1 58.427 48.090 0.274 1.00 24.01 ? "C2'" DG 20 E 1 +ATOM 445 C "C1'" DG 8 . . C 1 59.843 47.766 0.673 1.00 33.7 ? "C1'" DG 20 E 1 +ATOM 446 N N9 DG 8 . . C 1 60.511 46.625 0.038 1.00 39.7 ? N9 DG 20 E 1 +ATOM 447 C C8 DG 8 . . C 1 60.160 45.310 0.064 1.00 41.86 ? C8 DG 20 E 1 +ATOM 448 N N7 DG 8 . . C 1 60.971 44.562 -0.622 1.00 40.21 ? N7 DG 20 E 1 +ATOM 449 C C5 DG 8 . . C 1 61.912 45.439 -1.129 1.00 39.46 ? C5 DG 20 E 1 +ATOM 450 C C6 DG 8 . . C 1 63.023 45.219 -1.978 1.00 42.77 ? C6 DG 20 E 1 +ATOM 451 O O6 DG 8 . . C 1 63.435 44.136 -2.462 1.00 48.02 ? O6 DG 20 E 1 +ATOM 452 N N1 DG 8 . . C 1 63.694 46.413 -2.267 1.00 47.66 ? N1 DG 20 E 1 +ATOM 453 C C2 DG 8 . . C 1 63.346 47.647 -1.798 1.00 43.49 ? C2 DG 20 E 1 +ATOM 454 N N2 DG 8 . . C 1 64.090 48.708 -2.155 1.00 41.39 ? N2 DG 20 E 1 +ATOM 455 N N3 DG 8 . . C 1 62.322 47.846 -1.018 1.00 51.55 ? N3 DG 20 E 1 +ATOM 456 C C4 DG 8 . . C 1 61.650 46.708 -0.727 1.00 43.3 ? C4 DG 20 E 1 +ATOM 457 P P DT 9 . . C 1 57.518 51.213 0.287 1.00 37.34 ? P DT 19 E 1 +ATOM 458 O OP1 DT 9 . . C 1 57.389 52.564 0.903 1.00 34.68 ? OP1 DT 19 E 1 +ATOM 459 O OP2 DT 9 . . C 1 56.285 50.421 -0.010 1.00 32.52 ? OP2 DT 19 E 1 +ATOM 460 O "O5'" DT 9 . . C 1 58.517 51.354 -0.946 1.00 35.58 ? "O5'" DT 19 E 1 +ATOM 461 C "C5'" DT 9 . . C 1 59.918 51.272 -0.690 1.00 37.61 ? "C5'" DT 19 E 1 +ATOM 462 C "C4'" DT 9 . . C 1 60.731 51.616 -1.914 1.00 36.56 ? "C4'" DT 19 E 1 +ATOM 463 O "O4'" DT 9 . . C 1 61.488 50.495 -2.457 1.00 36.16 ? "O4'" DT 19 E 1 +ATOM 464 C "C3'" DT 9 . . C 1 59.941 52.190 -3.054 1.00 31.27 ? "C3'" DT 19 E 1 +ATOM 465 O "O3'" DT 9 . . C 1 60.782 53.199 -3.511 1.00 35.91 ? "O3'" DT 19 E 1 +ATOM 466 C "C2'" DT 9 . . C 1 59.875 51.040 -4.044 1.00 32.28 ? "C2'" DT 19 E 1 +ATOM 467 C "C1'" DT 9 . . C 1 61.204 50.309 -3.831 1.00 34.74 ? "C1'" DT 19 E 1 +ATOM 468 N N1 DT 9 . . C 1 61.139 48.823 -4.108 1.00 39.24 ? N1 DT 19 E 1 +ATOM 469 C C2 DT 9 . . C 1 62.056 48.231 -4.969 1.00 39.34 ? C2 DT 19 E 1 +ATOM 470 O O2 DT 9 . . C 1 62.968 48.836 -5.511 1.00 33.32 ? O2 DT 19 E 1 +ATOM 471 N N3 DT 9 . . C 1 61.864 46.875 -5.172 1.00 39.91 ? N3 DT 19 E 1 +ATOM 472 C C4 DT 9 . . C 1 60.905 46.074 -4.622 1.00 37.4 ? C4 DT 19 E 1 +ATOM 473 O O4 DT 9 . . C 1 60.866 44.887 -4.925 1.00 38.1 ? O4 DT 19 E 1 +ATOM 474 C C5 DT 9 . . C 1 59.999 46.742 -3.713 1.00 35.96 ? C5 DT 19 E 1 +ATOM 475 C C7 DT 9 . . C 1 58.931 45.956 -3.036 1.00 41.93 ? C7 DT 19 E 1 +ATOM 476 C C6 DT 9 . . C 1 60.158 48.058 -3.510 1.00 34.58 ? C6 DT 19 E 1 +ATOM 477 P P DG 10 . . C 1 60.270 54.206 -4.605 1.00 42.65 ? P DG 18 E 1 +ATOM 478 O OP1 DG 10 . . C 1 60.467 55.571 -4.029 1.00 41.97 ? OP1 DG 18 E 1 +ATOM 479 O OP2 DG 10 . . C 1 58.901 53.746 -4.944 1.00 47.76 ? OP2 DG 18 E 1 +ATOM 480 O "O5'" DG 10 . . C 1 61.246 53.943 -5.856 1.00 38.01 ? "O5'" DG 18 E 1 +ATOM 481 C "C5'" DG 10 . . C 1 62.638 54.190 -5.723 1.00 38.48 ? "C5'" DG 18 E 1 +ATOM 482 C "C4'" DG 10 . . C 1 63.356 54.187 -7.058 1.00 46.55 ? "C4'" DG 18 E 1 +ATOM 483 O "O4'" DG 10 . . C 1 63.450 52.866 -7.644 1.00 48.23 ? "O4'" DG 18 E 1 +ATOM 484 C "C3'" DG 10 . . C 1 62.878 55.078 -8.196 1.00 45.63 ? "C3'" DG 18 E 1 +ATOM 485 O "O3'" DG 10 . . C 1 64.092 55.339 -8.943 1.00 50.8 ? "O3'" DG 18 E 1 +ATOM 486 C "C2'" DG 10 . . C 1 61.938 54.136 -8.937 1.00 49.45 ? "C2'" DG 18 E 1 +ATOM 487 C "C1'" DG 10 . . C 1 62.673 52.795 -8.845 1.00 48.5 ? "C1'" DG 18 E 1 +ATOM 488 N N9 DG 10 . . C 1 61.814 51.654 -8.633 1.00 44.58 ? N9 DG 18 E 1 +ATOM 489 C C8 DG 10 . . C 1 60.501 51.661 -8.245 1.00 46.93 ? C8 DG 18 E 1 +ATOM 490 N N7 DG 10 . . C 1 60.013 50.466 -8.078 1.00 48.45 ? N7 DG 18 E 1 +ATOM 491 C C5 DG 10 . . C 1 61.073 49.631 -8.385 1.00 42.07 ? C5 DG 18 E 1 +ATOM 492 C C6 DG 10 . . C 1 61.136 48.247 -8.372 1.00 44.13 ? C6 DG 18 E 1 +ATOM 493 O O6 DG 10 . . C 1 60.232 47.444 -8.068 1.00 52.69 ? O6 DG 18 E 1 +ATOM 494 N N1 DG 10 . . C 1 62.394 47.786 -8.759 1.00 44.83 ? N1 DG 18 E 1 +ATOM 495 C C2 DG 10 . . C 1 63.453 48.598 -9.117 1.00 45.97 ? C2 DG 18 E 1 +ATOM 496 N N2 DG 10 . . C 1 64.607 47.959 -9.477 1.00 51.61 ? N2 DG 18 E 1 +ATOM 497 N N3 DG 10 . . C 1 63.390 49.917 -9.125 1.00 40.76 ? N3 DG 18 E 1 +ATOM 498 C C4 DG 10 . . C 1 62.179 50.356 -8.746 1.00 39.81 ? C4 DG 18 E 1 +ATOM 499 P P DT 11 . . C 1 64.052 55.714 -10.514 1.00 47.33 ? P DT 17 E 1 +ATOM 500 O OP1 DT 11 . . C 1 65.460 55.897 -10.979 1.00 48.13 ? OP1 DT 17 E 1 +ATOM 501 O OP2 DT 11 . . C 1 63.021 56.776 -10.740 1.00 44.36 ? OP2 DT 17 E 1 +ATOM 502 O "O5'" DT 11 . . C 1 63.540 54.442 -11.307 1.00 48.33 ? "O5'" DT 17 E 1 +ATOM 503 C "C5'" DT 11 . . C 1 63.404 54.526 -12.733 1.00 50.22 ? "C5'" DT 17 E 1 +ATOM 504 C "C4'" DT 11 . . C 1 64.334 53.542 -13.396 1.00 46.62 ? "C4'" DT 17 E 1 +ATOM 505 O "O4'" DT 11 . . C 1 64.194 52.341 -12.610 1.00 45.1 ? "O4'" DT 17 E 1 +ATOM 506 C "C3'" DT 11 . . C 1 64.002 53.192 -14.862 1.00 49.85 ? "C3'" DT 17 E 1 +ATOM 507 O "O3'" DT 11 . . C 1 65.184 53.012 -15.661 1.00 52.17 ? "O3'" DT 17 E 1 +ATOM 508 C "C2'" DT 11 . . C 1 63.278 51.860 -14.784 1.00 45.71 ? "C2'" DT 17 E 1 +ATOM 509 C "C1'" DT 11 . . C 1 63.541 51.335 -13.356 1.00 47.17 ? "C1'" DT 17 E 1 +ATOM 510 N N1 DT 11 . . C 1 62.264 50.996 -12.698 1.00 47.14 ? N1 DT 17 E 1 +ATOM 511 C C2 DT 11 . . C 1 62.100 49.681 -12.303 1.00 51.28 ? C2 DT 17 E 1 +ATOM 512 O O2 DT 11 . . C 1 63.003 48.825 -12.412 1.00 48.33 ? O2 DT 17 E 1 +ATOM 513 N N3 DT 11 . . C 1 60.846 49.399 -11.771 1.00 43.49 ? N3 DT 17 E 1 +ATOM 514 C C4 DT 11 . . C 1 59.774 50.291 -11.592 1.00 46.51 ? C4 DT 17 E 1 +ATOM 515 O O4 DT 11 . . C 1 58.658 49.863 -11.140 1.00 39.29 ? O4 DT 17 E 1 +ATOM 516 C C5 DT 11 . . C 1 60.068 51.671 -11.981 1.00 42.35 ? C5 DT 17 E 1 +ATOM 517 C C7 DT 11 . . C 1 59.032 52.728 -11.773 1.00 44.19 ? C7 DT 17 E 1 +ATOM 518 C C6 DT 11 . . C 1 61.268 51.940 -12.510 1.00 40.37 ? C6 DT 17 E 1 +ATOM 519 P P DG 12 . . C 1 66.107 54.281 -16.042 1.00 55 ? P DG 16 E 1 +ATOM 520 O OP1 DG 12 . . C 1 67.342 53.808 -16.739 1.00 53.75 ? OP1 DG 16 E 1 +ATOM 521 O OP2 DG 12 . . C 1 66.211 55.250 -14.921 1.00 48.58 ? OP2 DG 16 E 1 +ATOM 522 O "O5'" DG 12 . . C 1 65.200 55.084 -17.037 1.00 49.31 ? "O5'" DG 16 E 1 +ATOM 523 C "C5'" DG 12 . . C 1 63.824 54.899 -16.964 1.00 46.94 ? "C5'" DG 16 E 1 +ATOM 524 C "C4'" DG 12 . . C 1 63.473 53.775 -17.889 1.00 47.78 ? "C4'" DG 16 E 1 +ATOM 525 O "O4'" DG 12 . . C 1 62.696 52.796 -17.186 1.00 46.1 ? "O4'" DG 16 E 1 +ATOM 526 C "C3'" DG 12 . . C 1 62.662 54.272 -19.081 1.00 47.58 ? "C3'" DG 16 E 1 +ATOM 527 O "O3'" DG 12 . . C 1 63.271 53.787 -20.284 1.00 51.79 ? "O3'" DG 16 E 1 +ATOM 528 C "C2'" DG 12 . . C 1 61.261 53.740 -18.844 1.00 38.47 ? "C2'" DG 16 E 1 +ATOM 529 C "C1'" DG 12 . . C 1 61.452 52.636 -17.824 1.00 45.43 ? "C1'" DG 16 E 1 +ATOM 530 N N9 DG 12 . . C 1 60.446 52.622 -16.785 1.00 42.31 ? N9 DG 16 E 1 +ATOM 531 C C8 DG 12 . . C 1 59.905 53.658 -16.070 1.00 40.73 ? C8 DG 16 E 1 +ATOM 532 N N7 DG 12 . . C 1 59.002 53.254 -15.207 1.00 48.69 ? N7 DG 16 E 1 +ATOM 533 C C5 DG 12 . . C 1 58.967 51.862 -15.384 1.00 49.32 ? C5 DG 16 E 1 +ATOM 534 C C6 DG 12 . . C 1 58.199 50.811 -14.717 1.00 48.44 ? C6 DG 16 E 1 +ATOM 535 O O6 DG 12 . . C 1 57.352 50.905 -13.824 1.00 55 ? O6 DG 16 E 1 +ATOM 536 N N1 DG 12 . . C 1 58.528 49.552 -15.211 1.00 42.76 ? N1 DG 16 E 1 +ATOM 537 C C2 DG 12 . . C 1 59.468 49.308 -16.187 1.00 45.9 ? C2 DG 16 E 1 +ATOM 538 N N2 DG 12 . . C 1 59.707 47.991 -16.545 1.00 48.7 ? N2 DG 16 E 1 +ATOM 539 N N3 DG 12 . . C 1 60.156 50.259 -16.794 1.00 44.2 ? N3 DG 16 E 1 +ATOM 540 C C4 DG 12 . . C 1 59.858 51.484 -16.350 1.00 46.58 ? C4 DG 16 E 1 +ATOM 541 P P DA 13 . . C 1 63.219 54.667 -21.630 1.00 48.78 ? P DA 15 E 1 +ATOM 542 O OP1 DA 13 . . C 1 64.491 54.334 -22.319 1.00 49.49 ? OP1 DA 15 E 1 +ATOM 543 O OP2 DA 13 . . C 1 62.900 56.072 -21.368 1.00 47.04 ? OP2 DA 15 E 1 +ATOM 544 O "O5'" DA 13 . . C 1 62.003 53.956 -22.388 1.00 50.35 ? "O5'" DA 15 E 1 +ATOM 545 C "C5'" DA 13 . . C 1 62.193 52.587 -22.847 1.00 55 ? "C5'" DA 15 E 1 +ATOM 546 C "C4'" DA 13 . . C 1 60.884 51.882 -23.146 1.00 54.07 ? "C4'" DA 15 E 1 +ATOM 547 O "O4'" DA 13 . . C 1 60.057 51.856 -21.951 1.00 55 ? "O4'" DA 15 E 1 +ATOM 548 C "C3'" DA 13 . . C 1 60.030 52.506 -24.249 1.00 55 ? "C3'" DA 15 E 1 +ATOM 549 O "O3'" DA 13 . . C 1 59.366 51.441 -24.985 1.00 54.15 ? "O3'" DA 15 E 1 +ATOM 550 C "C2'" DA 13 . . C 1 59.060 53.372 -23.439 1.00 55 ? "C2'" DA 15 E 1 +ATOM 551 C "C1'" DA 13 . . C 1 58.828 52.537 -22.177 1.00 55 ? "C1'" DA 15 E 1 +ATOM 552 N N9 DA 13 . . C 1 58.442 53.214 -20.916 1.00 55 ? N9 DA 15 E 1 +ATOM 553 C C8 DA 13 . . C 1 58.819 54.415 -20.354 1.00 55 ? C8 DA 15 E 1 +ATOM 554 N N7 DA 13 . . C 1 58.245 54.659 -19.183 1.00 55 ? N7 DA 15 E 1 +ATOM 555 C C5 DA 13 . . C 1 57.441 53.549 -18.966 1.00 55 ? C5 DA 15 E 1 +ATOM 556 C C6 DA 13 . . C 1 56.567 53.166 -17.897 1.00 55 ? C6 DA 15 E 1 +ATOM 557 N N6 DA 13 . . C 1 56.336 53.876 -16.772 1.00 55 ? N6 DA 15 E 1 +ATOM 558 N N1 DA 13 . . C 1 55.919 51.984 -18.024 1.00 51.06 ? N1 DA 15 E 1 +ATOM 559 C C2 DA 13 . . C 1 56.134 51.243 -19.125 1.00 52.9 ? C2 DA 15 E 1 +ATOM 560 N N3 DA 13 . . C 1 56.918 51.484 -20.170 1.00 54.93 ? N3 DA 15 E 1 +ATOM 561 C C4 DA 13 . . C 1 57.548 52.658 -20.028 1.00 55 ? C4 DA 15 E 1 +ATOM 562 P P DC 14 . . C 1 59.195 51.524 -26.604 1.00 55 ? P DC 14 E 1 +ATOM 563 O OP1 DC 14 . . C 1 60.535 51.396 -27.248 1.00 55 ? OP1 DC 14 E 1 +ATOM 564 O OP2 DC 14 . . C 1 58.305 52.667 -26.991 1.00 47.13 ? OP2 DC 14 E 1 +ATOM 565 O "O5'" DC 14 . . C 1 58.337 50.217 -26.930 1.00 55 ? "O5'" DC 14 E 1 +ATOM 566 C "C5'" DC 14 . . C 1 56.944 50.331 -27.221 1.00 55 ? "C5'" DC 14 E 1 +ATOM 567 C "C4'" DC 14 . . C 1 56.087 49.951 -26.023 1.00 55 ? "C4'" DC 14 E 1 +ATOM 568 O "O4'" DC 14 . . C 1 56.365 50.736 -24.811 1.00 55 ? "O4'" DC 14 E 1 +ATOM 569 C "C3'" DC 14 . . C 1 54.592 50.189 -26.301 1.00 55 ? "C3'" DC 14 E 1 +ATOM 570 O "O3'" DC 14 . . C 1 53.817 49.077 -26.830 1.00 55 ? "O3'" DC 14 E 1 +ATOM 571 C "C2'" DC 14 . . C 1 54.029 50.720 -24.984 1.00 55 ? "C2'" DC 14 E 1 +ATOM 572 C "C1'" DC 14 . . C 1 55.192 50.605 -23.992 1.00 55 ? "C1'" DC 14 E 1 +ATOM 573 N N1 DC 14 . . C 1 55.148 51.659 -22.944 1.00 55 ? N1 DC 14 E 1 +ATOM 574 C C2 DC 14 . . C 1 54.368 51.408 -21.780 1.00 52.47 ? C2 DC 14 E 1 +ATOM 575 O O2 DC 14 . . C 1 53.796 50.317 -21.678 1.00 52.63 ? O2 DC 14 E 1 +ATOM 576 N N3 DC 14 . . C 1 54.268 52.375 -20.795 1.00 55 ? N3 DC 14 E 1 +ATOM 577 C C4 DC 14 . . C 1 54.927 53.543 -20.939 1.00 55 ? C4 DC 14 E 1 +ATOM 578 N N4 DC 14 . . C 1 54.818 54.470 -19.936 1.00 54.4 ? N4 DC 14 E 1 +ATOM 579 C C5 DC 14 . . C 1 55.733 53.817 -22.108 1.00 52.28 ? C5 DC 14 E 1 +ATOM 580 C C6 DC 14 . . C 1 55.815 52.856 -23.074 1.00 51.39 ? C6 DC 14 E 1 +ATOM 581 O "O5'" DA 1 . . B 2 47.624 63.612 -28.260 1.00 40.15 ? "O5'" DA 10 D 1 +ATOM 582 C "C5'" DA 1 . . B 2 47.713 64.975 -27.773 1.00 41.23 ? "C5'" DA 10 D 1 +ATOM 583 C "C4'" DA 1 . . B 2 46.511 65.414 -26.963 1.00 41.91 ? "C4'" DA 10 D 1 +ATOM 584 O "O4'" DA 1 . . B 2 45.415 64.503 -27.278 1.00 34.07 ? "O4'" DA 10 D 1 +ATOM 585 C "C3'" DA 1 . . B 2 46.730 65.371 -25.439 1.00 41.1 ? "C3'" DA 10 D 1 +ATOM 586 O "O3'" DA 1 . . B 2 46.210 66.592 -24.792 1.00 47.1 ? "O3'" DA 10 D 1 +ATOM 587 C "C2'" DA 1 . . B 2 45.982 64.101 -25.023 1.00 41.97 ? "C2'" DA 10 D 1 +ATOM 588 C "C1'" DA 1 . . B 2 44.923 63.855 -26.101 1.00 38.41 ? "C1'" DA 10 D 1 +ATOM 589 N N9 DA 1 . . B 2 44.675 62.435 -26.414 1.00 38.72 ? N9 DA 10 D 1 +ATOM 590 C C8 DA 1 . . B 2 45.173 61.679 -27.472 1.00 40.02 ? C8 DA 10 D 1 +ATOM 591 N N7 DA 1 . . B 2 44.754 60.422 -27.482 1.00 39.04 ? N7 DA 10 D 1 +ATOM 592 C C5 DA 1 . . B 2 43.933 60.329 -26.356 1.00 40.81 ? C5 DA 10 D 1 +ATOM 593 C C6 DA 1 . . B 2 43.157 59.246 -25.793 1.00 40.05 ? C6 DA 10 D 1 +ATOM 594 N N6 DA 1 . . B 2 43.119 58.008 -26.271 1.00 40.66 ? N6 DA 10 D 1 +ATOM 595 N N1 DA 1 . . B 2 42.421 59.506 -24.697 1.00 40.43 ? N1 DA 10 D 1 +ATOM 596 C C2 DA 1 . . B 2 42.460 60.760 -24.175 1.00 41.52 ? C2 DA 10 D 1 +ATOM 597 N N3 DA 1 . . B 2 43.150 61.851 -24.587 1.00 42.57 ? N3 DA 10 D 1 +ATOM 598 C C4 DA 1 . . B 2 43.872 61.570 -25.689 1.00 42.7 ? C4 DA 10 D 1 +ATOM 599 P P DT 2 . . B 2 46.893 67.211 -23.404 1.00 55 ? P DT 11 D 1 +ATOM 600 O OP1 DT 2 . . B 2 46.017 68.337 -22.865 1.00 42.8 ? OP1 DT 11 D 1 +ATOM 601 O OP2 DT 2 . . B 2 48.380 67.461 -23.583 1.00 51.84 ? OP2 DT 11 D 1 +ATOM 602 O "O5'" DT 2 . . B 2 46.747 66.066 -22.299 1.00 53.94 ? "O5'" DT 11 D 1 +ATOM 603 C "C5'" DT 2 . . B 2 45.460 65.552 -21.952 1.00 52.33 ? "C5'" DT 11 D 1 +ATOM 604 C "C4'" DT 2 . . B 2 45.559 64.731 -20.697 1.00 44.09 ? "C4'" DT 11 D 1 +ATOM 605 O "O4'" DT 2 . . B 2 45.421 63.329 -20.962 1.00 45.97 ? "O4'" DT 11 D 1 +ATOM 606 C "C3'" DT 2 . . B 2 46.866 64.880 -19.959 1.00 46.39 ? "C3'" DT 11 D 1 +ATOM 607 O "O3'" DT 2 . . B 2 46.407 64.961 -18.616 1.00 41.22 ? "O3'" DT 11 D 1 +ATOM 608 C "C2'" DT 2 . . B 2 47.680 63.644 -20.388 1.00 40.78 ? "C2'" DT 11 D 1 +ATOM 609 C "C1'" DT 2 . . B 2 46.633 62.582 -20.733 1.00 43.45 ? "C1'" DT 11 D 1 +ATOM 610 N N1 DT 2 . . B 2 46.771 61.687 -21.943 1.00 38.73 ? N1 DT 11 D 1 +ATOM 611 C C2 DT 2 . . B 2 45.775 60.732 -22.043 1.00 40.38 ? C2 DT 11 D 1 +ATOM 612 O O2 DT 2 . . B 2 44.912 60.601 -21.210 1.00 45.18 ? O2 DT 11 D 1 +ATOM 613 N N3 DT 2 . . B 2 45.812 59.921 -23.163 1.00 44.88 ? N3 DT 11 D 1 +ATOM 614 C C4 DT 2 . . B 2 46.732 59.959 -24.189 1.00 48.9 ? C4 DT 11 D 1 +ATOM 615 O O4 DT 2 . . B 2 46.609 59.153 -25.135 1.00 51.75 ? O4 DT 11 D 1 +ATOM 616 C C5 DT 2 . . B 2 47.782 60.975 -24.031 1.00 50.82 ? C5 DT 11 D 1 +ATOM 617 C C7 DT 2 . . B 2 48.832 61.097 -25.085 1.00 46.89 ? C7 DT 11 D 1 +ATOM 618 C C6 DT 2 . . B 2 47.752 61.775 -22.920 1.00 48.86 ? C6 DT 11 D 1 +ATOM 619 P P DA 3 . . B 2 47.427 65.166 -17.409 1.00 44.05 ? P DA 12 D 1 +ATOM 620 O OP1 DA 3 . . B 2 46.773 66.296 -16.675 1.00 51.19 ? OP1 DA 12 D 1 +ATOM 621 O OP2 DA 3 . . B 2 48.846 65.290 -17.819 1.00 39.32 ? OP2 DA 12 D 1 +ATOM 622 O "O5'" DA 3 . . B 2 47.222 63.798 -16.631 1.00 41.66 ? "O5'" DA 12 D 1 +ATOM 623 C "C5'" DA 3 . . B 2 45.897 63.395 -16.308 1.00 42.93 ? "C5'" DA 12 D 1 +ATOM 624 C "C4'" DA 3 . . B 2 45.846 61.943 -15.907 1.00 40.3 ? "C4'" DA 12 D 1 +ATOM 625 O "O4'" DA 3 . . B 2 46.015 61.104 -17.065 1.00 38.86 ? "O4'" DA 12 D 1 +ATOM 626 C "C3'" DA 3 . . B 2 46.886 61.483 -14.878 1.00 36.09 ? "C3'" DA 12 D 1 +ATOM 627 O "O3'" DA 3 . . B 2 46.159 60.565 -14.029 1.00 39.85 ? "O3'" DA 12 D 1 +ATOM 628 C "C2'" DA 3 . . B 2 47.912 60.794 -15.755 1.00 29.38 ? "C2'" DA 12 D 1 +ATOM 629 C "C1'" DA 3 . . B 2 46.982 60.146 -16.754 1.00 33.47 ? "C1'" DA 12 D 1 +ATOM 630 N N9 DA 3 . . B 2 47.602 59.720 -17.989 1.00 37.85 ? N9 DA 12 D 1 +ATOM 631 C C8 DA 3 . . B 2 48.522 60.341 -18.785 1.00 43.89 ? C8 DA 12 D 1 +ATOM 632 N N7 DA 3 . . B 2 48.875 59.629 -19.823 1.00 41.94 ? N7 DA 12 D 1 +ATOM 633 C C5 DA 3 . . B 2 48.122 58.462 -19.688 1.00 44.73 ? C5 DA 12 D 1 +ATOM 634 C C6 DA 3 . . B 2 48.045 57.276 -20.442 1.00 50.44 ? C6 DA 12 D 1 +ATOM 635 N N6 DA 3 . . B 2 48.771 57.045 -21.548 1.00 55 ? N6 DA 12 D 1 +ATOM 636 N N1 DA 3 . . B 2 47.195 56.316 -20.021 1.00 43.24 ? N1 DA 12 D 1 +ATOM 637 C C2 DA 3 . . B 2 46.503 56.525 -18.937 1.00 46.08 ? C2 DA 12 D 1 +ATOM 638 N N3 DA 3 . . B 2 46.498 57.577 -18.141 1.00 48.18 ? N3 DA 12 D 1 +ATOM 639 C C4 DA 3 . . B 2 47.339 58.519 -18.579 1.00 37.62 ? C4 DA 12 D 1 +ATOM 640 P P DT 4 . . B 2 46.630 60.215 -12.517 1.00 37.63 ? P DT 13 D 1 +ATOM 641 O OP1 DT 4 . . B 2 45.320 60.118 -11.796 1.00 40.97 ? OP1 DT 13 D 1 +ATOM 642 O OP2 DT 4 . . B 2 47.701 61.144 -11.966 1.00 22.15 ? OP2 DT 13 D 1 +ATOM 643 O "O5'" DT 4 . . B 2 47.057 58.681 -12.665 1.00 29.87 ? "O5'" DT 13 D 1 +ATOM 644 C "C5'" DT 4 . . B 2 46.044 57.752 -13.089 1.00 23.04 ? "C5'" DT 13 D 1 +ATOM 645 C "C4'" DT 4 . . B 2 46.589 56.352 -13.196 1.00 33.54 ? "C4'" DT 13 D 1 +ATOM 646 O "O4'" DT 4 . . B 2 46.901 56.124 -14.582 1.00 27.11 ? "O4'" DT 13 D 1 +ATOM 647 C "C3'" DT 4 . . B 2 47.851 56.097 -12.374 1.00 31.73 ? "C3'" DT 13 D 1 +ATOM 648 O "O3'" DT 4 . . B 2 47.609 55.118 -11.307 1.00 32.77 ? "O3'" DT 13 D 1 +ATOM 649 C "C2'" DT 4 . . B 2 48.917 55.748 -13.394 1.00 26.91 ? "C2'" DT 13 D 1 +ATOM 650 C "C1'" DT 4 . . B 2 48.162 55.533 -14.709 1.00 37.09 ? "C1'" DT 13 D 1 +ATOM 651 N N1 DT 4 . . B 2 48.866 56.080 -15.935 1.00 37.48 ? N1 DT 13 D 1 +ATOM 652 C C2 DT 4 . . B 2 48.681 55.389 -17.089 1.00 36.31 ? C2 DT 13 D 1 +ATOM 653 O O2 DT 4 . . B 2 47.917 54.437 -17.143 1.00 29.73 ? O2 DT 13 D 1 +ATOM 654 N N3 DT 4 . . B 2 49.412 55.865 -18.187 1.00 39.84 ? N3 DT 13 D 1 +ATOM 655 C C4 DT 4 . . B 2 50.278 56.982 -18.213 1.00 33.61 ? C4 DT 13 D 1 +ATOM 656 O O4 DT 4 . . B 2 50.897 57.290 -19.284 1.00 29.75 ? O4 DT 13 D 1 +ATOM 657 C C5 DT 4 . . B 2 50.371 57.686 -16.944 1.00 32.94 ? C5 DT 13 D 1 +ATOM 658 C C7 DT 4 . . B 2 51.219 58.911 -16.841 1.00 30.73 ? C7 DT 13 D 1 +ATOM 659 C C6 DT 4 . . B 2 49.678 57.204 -15.897 1.00 32.29 ? C6 DT 13 D 1 +ATOM 660 P P DG 5 . . B 2 48.141 53.580 -11.406 1.00 34.52 ? P DG 14 D 1 +ATOM 661 O OP1 DG 5 . . B 2 47.664 52.986 -10.144 1.00 43.03 ? OP1 DG 14 D 1 +ATOM 662 O OP2 DG 5 . . B 2 49.567 53.367 -11.832 1.00 34.75 ? OP2 DG 14 D 1 +ATOM 663 O "O5'" DG 5 . . B 2 47.186 52.961 -12.492 1.00 34.22 ? "O5'" DG 14 D 1 +ATOM 664 C "C5'" DG 5 . . B 2 46.685 51.656 -12.361 1.00 20.6 ? "C5'" DG 14 D 1 +ATOM 665 C "C4'" DG 5 . . B 2 47.259 50.790 -13.454 1.00 33.01 ? "C4'" DG 14 D 1 +ATOM 666 O "O4'" DG 5 . . B 2 47.979 51.564 -14.462 1.00 35.41 ? "O4'" DG 14 D 1 +ATOM 667 C "C3'" DG 5 . . B 2 48.234 49.764 -12.908 1.00 29.23 ? "C3'" DG 14 D 1 +ATOM 668 O "O3'" DG 5 . . B 2 47.763 48.513 -13.393 1.00 35.76 ? "O3'" DG 14 D 1 +ATOM 669 C "C2'" DG 5 . . B 2 49.564 50.178 -13.524 1.00 25.97 ? "C2'" DG 14 D 1 +ATOM 670 C "C1'" DG 5 . . B 2 49.192 50.926 -14.789 1.00 28.17 ? "C1'" DG 14 D 1 +ATOM 671 N N9 DG 5 . . B 2 50.184 51.952 -15.100 1.00 34.28 ? N9 DG 14 D 1 +ATOM 672 C C8 DG 5 . . B 2 50.616 52.906 -14.226 1.00 34.34 ? C8 DG 14 D 1 +ATOM 673 N N7 DG 5 . . B 2 51.520 53.693 -14.740 1.00 39.87 ? N7 DG 14 D 1 +ATOM 674 C C5 DG 5 . . B 2 51.701 53.232 -16.042 1.00 35.52 ? C5 DG 14 D 1 +ATOM 675 C C6 DG 5 . . B 2 52.591 53.677 -17.075 1.00 39.91 ? C6 DG 14 D 1 +ATOM 676 O O6 DG 5 . . B 2 53.418 54.608 -17.053 1.00 55 ? O6 DG 14 D 1 +ATOM 677 N N1 DG 5 . . B 2 52.481 52.928 -18.241 1.00 39.09 ? N1 DG 14 D 1 +ATOM 678 C C2 DG 5 . . B 2 51.646 51.909 -18.417 1.00 44.38 ? C2 DG 14 D 1 +ATOM 679 N N2 DG 5 . . B 2 51.727 51.366 -19.660 1.00 29.85 ? N2 DG 14 D 1 +ATOM 680 N N3 DG 5 . . B 2 50.800 51.453 -17.458 1.00 45.72 ? N3 DG 14 D 1 +ATOM 681 C C4 DG 5 . . B 2 50.888 52.170 -16.300 1.00 35.9 ? C4 DG 14 D 1 +ATOM 682 P P DT 6 . . B 2 48.194 47.114 -12.700 1.00 35.88 ? P DT 15 D 1 +ATOM 683 O OP1 DT 6 . . B 2 46.932 46.335 -12.890 1.00 37.64 ? OP1 DT 15 D 1 +ATOM 684 O OP2 DT 6 . . B 2 48.824 47.131 -11.354 1.00 25.79 ? OP2 DT 15 D 1 +ATOM 685 O "O5'" DT 6 . . B 2 49.325 46.567 -13.699 1.00 32.23 ? "O5'" DT 15 D 1 +ATOM 686 C "C5'" DT 6 . . B 2 49.189 46.644 -15.134 1.00 31.46 ? "C5'" DT 15 D 1 +ATOM 687 C "C4'" DT 6 . . B 2 50.328 45.904 -15.799 1.00 34.61 ? "C4'" DT 15 D 1 +ATOM 688 O "O4'" DT 6 . . B 2 51.295 46.824 -16.398 1.00 25.68 ? "O4'" DT 15 D 1 +ATOM 689 C "C3'" DT 6 . . B 2 51.103 45.072 -14.788 1.00 31.64 ? "C3'" DT 15 D 1 +ATOM 690 O "O3'" DT 6 . . B 2 51.522 43.854 -15.422 1.00 40.68 ? "O3'" DT 15 D 1 +ATOM 691 C "C2'" DT 6 . . B 2 52.257 45.992 -14.432 1.00 32.75 ? "C2'" DT 15 D 1 +ATOM 692 C "C1'" DT 6 . . B 2 52.526 46.775 -15.722 1.00 28.85 ? "C1'" DT 15 D 1 +ATOM 693 N N1 DT 6 . . B 2 53.037 48.171 -15.524 1.00 30.96 ? N1 DT 15 D 1 +ATOM 694 C C2 DT 6 . . B 2 53.943 48.681 -16.421 1.00 32.87 ? C2 DT 15 D 1 +ATOM 695 O O2 DT 6 . . B 2 54.319 48.061 -17.399 1.00 35.12 ? O2 DT 15 D 1 +ATOM 696 N N3 DT 6 . . B 2 54.391 49.968 -16.132 1.00 30.06 ? N3 DT 15 D 1 +ATOM 697 C C4 DT 6 . . B 2 54.000 50.779 -15.053 1.00 34.39 ? C4 DT 15 D 1 +ATOM 698 O O4 DT 6 . . B 2 54.480 51.930 -14.885 1.00 32.34 ? O4 DT 15 D 1 +ATOM 699 C C5 DT 6 . . B 2 53.046 50.202 -14.198 1.00 29.25 ? C5 DT 15 D 1 +ATOM 700 C C7 DT 6 . . B 2 52.557 51.028 -13.072 1.00 23.55 ? C7 DT 15 D 1 +ATOM 701 C C6 DT 6 . . B 2 52.619 48.941 -14.450 1.00 36.88 ? C6 DT 15 D 1 +ATOM 702 P P DC 7 . . B 2 51.886 42.548 -14.537 1.00 47.56 ? P DC 16 D 1 +ATOM 703 O OP1 DC 7 . . B 2 50.930 41.546 -15.049 1.00 52.01 ? OP1 DC 16 D 1 +ATOM 704 O OP2 DC 7 . . B 2 51.911 42.850 -13.066 1.00 39.57 ? OP2 DC 16 D 1 +ATOM 705 O "O5'" DC 7 . . B 2 53.354 42.173 -15.069 1.00 43.85 ? "O5'" DC 16 D 1 +ATOM 706 C "C5'" DC 7 . . B 2 53.968 43.038 -16.048 1.00 45.5 ? "C5'" DC 16 D 1 +ATOM 707 C "C4'" DC 7 . . B 2 55.329 42.566 -16.521 1.00 41.4 ? "C4'" DC 16 D 1 +ATOM 708 O "O4'" DC 7 . . B 2 55.842 43.779 -17.142 1.00 40.11 ? "O4'" DC 16 D 1 +ATOM 709 C "C3'" DC 7 . . B 2 56.379 42.159 -15.469 1.00 42.83 ? "C3'" DC 16 D 1 +ATOM 710 O "O3'" DC 7 . . B 2 56.617 40.705 -15.443 1.00 50.5 ? "O3'" DC 16 D 1 +ATOM 711 C "C2'" DC 7 . . B 2 57.626 42.945 -15.872 1.00 43.83 ? "C2'" DC 16 D 1 +ATOM 712 C "C1'" DC 7 . . B 2 57.063 44.199 -16.542 1.00 43.62 ? "C1'" DC 16 D 1 +ATOM 713 N N1 DC 7 . . B 2 56.781 45.377 -15.651 1.00 48.11 ? N1 DC 16 D 1 +ATOM 714 C C2 DC 7 . . B 2 56.961 46.695 -16.157 1.00 49.75 ? C2 DC 16 D 1 +ATOM 715 O O2 DC 7 . . B 2 57.343 46.843 -17.334 1.00 52.85 ? O2 DC 16 D 1 +ATOM 716 N N3 DC 7 . . B 2 56.705 47.765 -15.344 1.00 47.43 ? N3 DC 16 D 1 +ATOM 717 C C4 DC 7 . . B 2 56.288 47.569 -14.094 1.00 47.79 ? C4 DC 16 D 1 +ATOM 718 N N4 DC 7 . . B 2 56.049 48.633 -13.353 1.00 48.62 ? N4 DC 16 D 1 +ATOM 719 C C5 DC 7 . . B 2 56.097 46.262 -13.551 1.00 48.58 ? C5 DC 16 D 1 +ATOM 720 C C6 DC 7 . . B 2 56.351 45.207 -14.352 1.00 47.19 ? C6 DC 16 D 1 +ATOM 721 P P DA 8 . . B 2 57.265 39.990 -14.116 1.00 50.88 ? P DA 17 D 1 +ATOM 722 O OP1 DA 8 . . B 2 57.140 38.503 -14.120 1.00 52.42 ? OP1 DA 17 D 1 +ATOM 723 O OP2 DA 8 . . B 2 56.800 40.755 -12.911 1.00 53.33 ? OP2 DA 17 D 1 +ATOM 724 O "O5'" DA 8 . . B 2 58.823 40.250 -14.254 1.00 47.97 ? "O5'" DA 17 D 1 +ATOM 725 C "C5'" DA 8 . . B 2 59.486 40.108 -15.506 1.00 50.6 ? "C5'" DA 17 D 1 +ATOM 726 C "C4'" DA 8 . . B 2 60.971 40.244 -15.279 1.00 54.94 ? "C4'" DA 17 D 1 +ATOM 727 O "O4'" DA 8 . . B 2 61.309 41.644 -15.121 1.00 53.71 ? "O4'" DA 17 D 1 +ATOM 728 C "C3'" DA 8 . . B 2 61.360 39.544 -13.981 1.00 51.07 ? "C3'" DA 17 D 1 +ATOM 729 O "O3'" DA 8 . . B 2 62.073 38.361 -14.358 1.00 55 ? "O3'" DA 17 D 1 +ATOM 730 C "C2'" DA 8 . . B 2 62.175 40.569 -13.204 1.00 47.55 ? "C2'" DA 17 D 1 +ATOM 731 C "C1'" DA 8 . . B 2 61.807 41.915 -13.816 1.00 50.35 ? "C1'" DA 17 D 1 +ATOM 732 N N9 DA 8 . . B 2 60.813 42.765 -13.133 1.00 53.31 ? N9 DA 17 D 1 +ATOM 733 C C8 DA 8 . . B 2 59.602 42.451 -12.564 1.00 51.71 ? C8 DA 17 D 1 +ATOM 734 N N7 DA 8 . . B 2 58.974 43.490 -12.051 1.00 48.2 ? N7 DA 17 D 1 +ATOM 735 C C5 DA 8 . . B 2 59.828 44.558 -12.296 1.00 49.79 ? C5 DA 17 D 1 +ATOM 736 C C6 DA 8 . . B 2 59.745 45.973 -12.026 1.00 48.14 ? C6 DA 17 D 1 +ATOM 737 N N6 DA 8 . . B 2 58.717 46.617 -11.406 1.00 53.16 ? N6 DA 17 D 1 +ATOM 738 N N1 DA 8 . . B 2 60.784 46.730 -12.432 1.00 50.75 ? N1 DA 17 D 1 +ATOM 739 C C2 DA 8 . . B 2 61.818 46.140 -13.058 1.00 55 ? C2 DA 17 D 1 +ATOM 740 N N3 DA 8 . . B 2 62.003 44.864 -13.366 1.00 55 ? N3 DA 17 D 1 +ATOM 741 C C4 DA 8 . . B 2 60.967 44.120 -12.956 1.00 53.56 ? C4 DA 17 D 1 +ATOM 742 P P DC 9 . . B 2 62.881 37.531 -13.257 1.00 55 ? P DC 18 D 1 +ATOM 743 O OP1 DC 9 . . B 2 63.806 36.569 -13.918 1.00 55 ? OP1 DC 18 D 1 +ATOM 744 O OP2 DC 9 . . B 2 61.792 37.023 -12.363 1.00 55 ? OP2 DC 18 D 1 +ATOM 745 O "O5'" DC 9 . . B 2 63.725 38.668 -12.481 1.00 55 ? "O5'" DC 18 D 1 +ATOM 746 C "C5'" DC 9 . . B 2 64.720 39.484 -13.160 1.00 55 ? "C5'" DC 18 D 1 +ATOM 747 C "C4'" DC 9 . . B 2 65.301 40.571 -12.257 1.00 55 ? "C4'" DC 18 D 1 +ATOM 748 O "O4'" DC 9 . . B 2 64.345 41.579 -11.831 1.00 55 ? "O4'" DC 18 D 1 +ATOM 749 C "C3'" DC 9 . . B 2 66.076 40.169 -10.994 1.00 55 ? "C3'" DC 18 D 1 +ATOM 750 O "O3'" DC 9 . . B 2 67.376 40.771 -11.129 1.00 55 ? "O3'" DC 18 D 1 +ATOM 751 C "C2'" DC 9 . . B 2 65.303 40.845 -9.857 1.00 51.99 ? "C2'" DC 18 D 1 +ATOM 752 C "C1'" DC 9 . . B 2 64.743 42.076 -10.550 1.00 55 ? "C1'" DC 18 D 1 +ATOM 753 N N1 DC 9 . . B 2 63.562 42.707 -9.910 1.00 55 ? N1 DC 18 D 1 +ATOM 754 C C2 DC 9 . . B 2 63.568 44.106 -9.608 1.00 51.8 ? C2 DC 18 D 1 +ATOM 755 O O2 DC 9 . . B 2 64.563 44.800 -9.870 1.00 52.18 ? O2 DC 18 D 1 +ATOM 756 N N3 DC 9 . . B 2 62.487 44.665 -9.035 1.00 49.03 ? N3 DC 18 D 1 +ATOM 757 C C4 DC 9 . . B 2 61.425 43.911 -8.750 1.00 55 ? C4 DC 18 D 1 +ATOM 758 N N4 DC 9 . . B 2 60.380 44.507 -8.169 1.00 55 ? N4 DC 18 D 1 +ATOM 759 C C5 DC 9 . . B 2 61.388 42.509 -9.043 1.00 54.12 ? C5 DC 18 D 1 +ATOM 760 C C6 DC 9 . . B 2 62.465 41.955 -9.613 1.00 53.62 ? C6 DC 18 D 1 +ATOM 761 P P DA 10 . . B 2 68.687 40.114 -10.431 1.00 55 ? P DA 19 D 1 +ATOM 762 O OP1 DA 10 . . B 2 69.500 39.617 -11.583 1.00 55 ? OP1 DA 19 D 1 +ATOM 763 O OP2 DA 10 . . B 2 68.295 39.146 -9.339 1.00 55 ? OP2 DA 19 D 1 +ATOM 764 O "O5'" DA 10 . . B 2 69.436 41.395 -9.753 1.00 55 ? "O5'" DA 19 D 1 +ATOM 765 C "C5'" DA 10 . . B 2 70.018 42.508 -10.539 1.00 55 ? "C5'" DA 19 D 1 +ATOM 766 C "C4'" DA 10 . . B 2 70.291 43.743 -9.682 1.00 51.18 ? "C4'" DA 19 D 1 +ATOM 767 O "O4'" DA 10 . . B 2 69.052 44.281 -9.155 1.00 50.47 ? "O4'" DA 19 D 1 +ATOM 768 C "C3'" DA 10 . . B 2 71.180 43.592 -8.442 1.00 53.79 ? "C3'" DA 19 D 1 +ATOM 769 O "O3'" DA 10 . . B 2 71.855 44.860 -8.195 1.00 50.52 ? "O3'" DA 19 D 1 +ATOM 770 C "C2'" DA 10 . . B 2 70.168 43.222 -7.356 1.00 45.35 ? "C2'" DA 19 D 1 +ATOM 771 C "C1'" DA 10 . . B 2 68.963 44.086 -7.718 1.00 47.95 ? "C1'" DA 19 D 1 +ATOM 772 N N9 DA 10 . . B 2 67.600 43.579 -7.403 1.00 47.99 ? N9 DA 19 D 1 +ATOM 773 C C8 DA 10 . . B 2 67.112 42.280 -7.331 1.00 43.37 ? C8 DA 19 D 1 +ATOM 774 N N7 DA 10 . . B 2 65.819 42.211 -7.053 1.00 42.86 ? N7 DA 19 D 1 +ATOM 775 C C5 DA 10 . . B 2 65.434 43.543 -6.932 1.00 46.5 ? C5 DA 19 D 1 +ATOM 776 C C6 DA 10 . . B 2 64.194 44.152 -6.688 1.00 43.94 ? C6 DA 19 D 1 +ATOM 777 N N6 DA 10 . . B 2 63.060 43.485 -6.494 1.00 46 ? N6 DA 19 D 1 +ATOM 778 N N1 DA 10 . . B 2 64.149 45.503 -6.651 1.00 47.67 ? N1 DA 19 D 1 +ATOM 779 C C2 DA 10 . . B 2 65.282 46.199 -6.845 1.00 46.77 ? C2 DA 19 D 1 +ATOM 780 N N3 DA 10 . . B 2 66.496 45.750 -7.088 1.00 55 ? N3 DA 19 D 1 +ATOM 781 C C4 DA 10 . . B 2 66.513 44.396 -7.127 1.00 51 ? C4 DA 19 D 1 +ATOM 782 P P DC 11 . . B 2 71.782 45.583 -6.725 1.00 55 ? P DC 20 D 1 +ATOM 783 O OP1 DC 11 . . B 2 72.849 46.633 -6.709 1.00 50.91 ? OP1 DC 20 D 1 +ATOM 784 O OP2 DC 11 . . B 2 71.733 44.569 -5.607 1.00 54.46 ? OP2 DC 20 D 1 +ATOM 785 O "O5'" DC 11 . . B 2 70.374 46.362 -6.683 1.00 54.73 ? "O5'" DC 20 D 1 +ATOM 786 C "C5'" DC 11 . . B 2 70.238 47.710 -7.197 1.00 54.18 ? "C5'" DC 20 D 1 +ATOM 787 C "C4'" DC 11 . . B 2 69.470 48.622 -6.247 1.00 55 ? "C4'" DC 20 D 1 +ATOM 788 O "O4'" DC 11 . . B 2 68.151 48.087 -5.925 1.00 55 ? "O4'" DC 20 D 1 +ATOM 789 C "C3'" DC 11 . . B 2 70.163 48.947 -4.917 1.00 55 ? "C3'" DC 20 D 1 +ATOM 790 O "O3'" DC 11 . . B 2 70.024 50.339 -4.587 1.00 55 ? "O3'" DC 20 D 1 +ATOM 791 C "C2'" DC 11 . . B 2 69.410 48.117 -3.899 1.00 55 ? "C2'" DC 20 D 1 +ATOM 792 C "C1'" DC 11 . . B 2 68.015 47.916 -4.509 1.00 55 ? "C1'" DC 20 D 1 +ATOM 793 N N1 DC 11 . . B 2 67.541 46.535 -4.230 1.00 55 ? N1 DC 20 D 1 +ATOM 794 C C2 DC 11 . . B 2 66.580 46.357 -3.257 1.00 54.91 ? C2 DC 20 D 1 +ATOM 795 O O2 DC 11 . . B 2 66.142 47.354 -2.675 1.00 54.11 ? O2 DC 20 D 1 +ATOM 796 N N3 DC 11 . . B 2 66.146 45.093 -2.962 1.00 53.87 ? N3 DC 20 D 1 +ATOM 797 C C4 DC 11 . . B 2 66.654 44.033 -3.611 1.00 52.79 ? C4 DC 20 D 1 +ATOM 798 N N4 DC 11 . . B 2 66.201 42.805 -3.284 1.00 46.47 ? N4 DC 20 D 1 +ATOM 799 C C5 DC 11 . . B 2 67.639 44.185 -4.619 1.00 53.77 ? C5 DC 20 D 1 +ATOM 800 C C6 DC 11 . . B 2 68.050 45.443 -4.900 1.00 55 ? C6 DC 20 D 1 +ATOM 801 P P DT 12 . . B 2 71.349 51.237 -4.340 1.00 55 ? P DT 21 D 1 +ATOM 802 O OP1 DT 12 . . B 2 71.080 52.675 -4.656 1.00 55 ? OP1 DT 21 D 1 +ATOM 803 O OP2 DT 12 . . B 2 72.436 50.523 -5.060 1.00 55 ? OP2 DT 21 D 1 +ATOM 804 O "O5'" DT 12 . . B 2 71.581 51.181 -2.754 1.00 55 ? "O5'" DT 21 D 1 +ATOM 805 C "C5'" DT 12 . . B 2 70.648 50.509 -1.877 1.00 55 ? "C5'" DT 21 D 1 +ATOM 806 C "C4'" DT 12 . . B 2 69.353 51.288 -1.725 1.00 53.47 ? "C4'" DT 21 D 1 +ATOM 807 O "O4'" DT 12 . . B 2 68.269 50.356 -1.985 1.00 45.29 ? "O4'" DT 21 D 1 +ATOM 808 C "C3'" DT 12 . . B 2 69.132 51.821 -0.294 1.00 50.57 ? "C3'" DT 21 D 1 +ATOM 809 O "O3'" DT 12 . . B 2 68.418 53.056 -0.162 1.00 48.03 ? "O3'" DT 21 D 1 +ATOM 810 C "C2'" DT 12 . . B 2 68.217 50.815 0.360 1.00 44.89 ? "C2'" DT 21 D 1 +ATOM 811 C "C1'" DT 12 . . B 2 67.470 50.164 -0.793 1.00 52.73 ? "C1'" DT 21 D 1 +ATOM 812 N N1 DT 12 . . B 2 67.497 48.771 -0.422 1.00 51.45 ? N1 DT 21 D 1 +ATOM 813 C C2 DT 12 . . B 2 66.672 48.363 0.611 1.00 54.31 ? C2 DT 21 D 1 +ATOM 814 O O2 DT 12 . . B 2 65.925 49.113 1.192 1.00 52.35 ? O2 DT 21 D 1 +ATOM 815 N N3 DT 12 . . B 2 66.763 47.051 0.943 1.00 53.29 ? N3 DT 21 D 1 +ATOM 816 C C4 DT 12 . . B 2 67.578 46.118 0.362 1.00 55 ? C4 DT 21 D 1 +ATOM 817 O O4 DT 12 . . B 2 67.545 44.972 0.776 1.00 52.9 ? O4 DT 21 D 1 +ATOM 818 C C5 DT 12 . . B 2 68.436 46.620 -0.742 1.00 55 ? C5 DT 21 D 1 +ATOM 819 C C7 DT 12 . . B 2 69.384 45.692 -1.451 1.00 55 ? C7 DT 21 D 1 +ATOM 820 C C6 DT 12 . . B 2 68.333 47.908 -1.067 1.00 55 ? C6 DT 21 D 1 +ATOM 821 P P DT 13 . . B 2 68.253 53.679 1.316 1.00 49.59 ? P DT 22 D 1 +ATOM 822 O OP1 DT 13 . . B 2 68.957 54.996 1.229 1.00 53.2 ? OP1 DT 22 D 1 +ATOM 823 O OP2 DT 13 . . B 2 68.737 52.641 2.294 1.00 52.51 ? OP2 DT 22 D 1 +ATOM 824 O "O5'" DT 13 . . B 2 66.702 53.944 1.661 1.00 45.11 ? "O5'" DT 22 D 1 +ATOM 825 C "C5'" DT 13 . . B 2 65.685 52.982 1.408 1.00 43.34 ? "C5'" DT 22 D 1 +ATOM 826 C "C4'" DT 13 . . B 2 65.109 52.358 2.669 1.00 37.37 ? "C4'" DT 22 D 1 +ATOM 827 O "O4'" DT 13 . . B 2 65.516 50.978 2.621 1.00 47.19 ? "O4'" DT 22 D 1 +ATOM 828 C "C3'" DT 13 . . B 2 65.387 52.816 4.118 1.00 36.43 ? "C3'" DT 22 D 1 +ATOM 829 O "O3'" DT 13 . . B 2 64.163 52.776 4.859 1.00 28.16 ? "O3'" DT 22 D 1 +ATOM 830 C "C2'" DT 13 . . B 2 66.218 51.675 4.691 1.00 41.19 ? "C2'" DT 22 D 1 +ATOM 831 C "C1'" DT 13 . . B 2 65.635 50.506 3.941 1.00 46.69 ? "C1'" DT 22 D 1 +ATOM 832 N N1 DT 13 . . B 2 66.456 49.288 3.912 1.00 47.59 ? N1 DT 22 D 1 +ATOM 833 C C2 DT 13 . . B 2 65.896 48.140 4.438 1.00 45.6 ? C2 DT 22 D 1 +ATOM 834 O O2 DT 13 . . B 2 64.774 48.110 4.905 1.00 41.73 ? O2 DT 22 D 1 +ATOM 835 N N3 DT 13 . . B 2 66.697 47.032 4.397 1.00 41.54 ? N3 DT 22 D 1 +ATOM 836 C C4 DT 13 . . B 2 67.978 46.954 3.893 1.00 44.41 ? C4 DT 22 D 1 +ATOM 837 O O4 DT 13 . . B 2 68.587 45.869 3.937 1.00 37.35 ? O4 DT 22 D 1 +ATOM 838 C C5 DT 13 . . B 2 68.506 48.214 3.342 1.00 49.96 ? C5 DT 22 D 1 +ATOM 839 C C7 DT 13 . . B 2 69.886 48.243 2.759 1.00 44.67 ? C7 DT 22 D 1 +ATOM 840 C C6 DT 13 . . B 2 67.723 49.298 3.384 1.00 46.06 ? C6 DT 22 D 1 +ATOM 841 P P DT 14 . . B 2 64.136 53.102 6.438 1.00 30.14 ? P DT 23 D 1 +ATOM 842 O OP1 DT 14 . . B 2 63.002 53.996 6.721 1.00 33.73 ? OP1 DT 23 D 1 +ATOM 843 O OP2 DT 14 . . B 2 65.479 53.374 7.043 1.00 26.43 ? OP2 DT 23 D 1 +ATOM 844 O "O5'" DT 14 . . B 2 63.574 51.803 7.119 1.00 32.66 ? "O5'" DT 23 D 1 +ATOM 845 C "C5'" DT 14 . . B 2 62.265 51.408 6.852 1.00 27.71 ? "C5'" DT 23 D 1 +ATOM 846 C "C4'" DT 14 . . B 2 62.073 50.019 7.381 1.00 29.7 ? "C4'" DT 23 D 1 +ATOM 847 O "O4'" DT 14 . . B 2 63.121 49.183 6.843 1.00 27.87 ? "O4'" DT 23 D 1 +ATOM 848 C "C3'" DT 14 . . B 2 62.231 49.961 8.896 1.00 29.01 ? "C3'" DT 23 D 1 +ATOM 849 O "O3'" DT 14 . . B 2 61.095 49.263 9.374 1.00 28.89 ? "O3'" DT 23 D 1 +ATOM 850 C "C2'" DT 14 . . B 2 63.515 49.178 9.113 1.00 25.76 ? "C2'" DT 23 D 1 +ATOM 851 C "C1'" DT 14 . . B 2 63.553 48.330 7.869 1.00 28.79 ? "C1'" DT 23 D 1 +ATOM 852 N N1 DT 14 . . B 2 64.885 47.842 7.529 1.00 23.69 ? N1 DT 23 D 1 +ATOM 853 C C2 DT 14 . . B 2 65.082 46.487 7.441 1.00 25.02 ? C2 DT 23 D 1 +ATOM 854 O O2 DT 14 . . B 2 64.187 45.652 7.618 1.00 21.8 ? O2 DT 23 D 1 +ATOM 855 N N3 DT 14 . . B 2 66.342 46.121 7.152 1.00 13.78 ? N3 DT 23 D 1 +ATOM 856 C C4 DT 14 . . B 2 67.397 46.933 6.966 1.00 25.71 ? C4 DT 23 D 1 +ATOM 857 O O4 DT 14 . . B 2 68.498 46.449 6.756 1.00 21.25 ? O4 DT 23 D 1 +ATOM 858 C C5 DT 14 . . B 2 67.123 48.343 7.050 1.00 29.34 ? C5 DT 23 D 1 +ATOM 859 C C7 DT 14 . . B 2 68.238 49.322 6.829 1.00 27.25 ? C7 DT 23 D 1 +ATOM 860 C C6 DT 14 . . B 2 65.889 48.719 7.324 1.00 27.44 ? C6 DT 23 D 1 +ATOM 861 P P DT 15 . . B 2 60.906 48.976 10.950 1.00 45.19 ? P DT 24 D 1 +ATOM 862 O OP1 DT 15 . . B 2 59.441 49.265 11.231 1.00 39.14 ? OP1 DT 24 D 1 +ATOM 863 O OP2 DT 15 . . B 2 61.973 49.682 11.755 1.00 35.46 ? OP2 DT 24 D 1 +ATOM 864 O "O5'" DT 15 . . B 2 61.155 47.400 11.043 1.00 41.5 ? "O5'" DT 24 D 1 +ATOM 865 C "C5'" DT 15 . . B 2 60.261 46.509 10.396 1.00 47.88 ? "C5'" DT 24 D 1 +ATOM 866 C "C4'" DT 15 . . B 2 60.825 45.111 10.372 1.00 47.86 ? "C4'" DT 24 D 1 +ATOM 867 O "O4'" DT 15 . . B 2 62.109 45.167 9.716 1.00 52.37 ? "O4'" DT 24 D 1 +ATOM 868 C "C3'" DT 15 . . B 2 61.119 44.541 11.751 1.00 46.21 ? "C3'" DT 24 D 1 +ATOM 869 O "O3'" DT 15 . . B 2 59.989 43.851 12.280 1.00 40.45 ? "O3'" DT 24 D 1 +ATOM 870 C "C2'" DT 15 . . B 2 62.247 43.566 11.481 1.00 48.38 ? "C2'" DT 24 D 1 +ATOM 871 C "C1'" DT 15 . . B 2 62.933 44.136 10.258 1.00 48.35 ? "C1'" DT 24 D 1 +ATOM 872 N N1 DT 15 . . B 2 64.276 44.682 10.479 1.00 44.35 ? N1 DT 24 D 1 +ATOM 873 C C2 DT 15 . . B 2 65.343 43.799 10.361 1.00 46.14 ? C2 DT 24 D 1 +ATOM 874 O O2 DT 15 . . B 2 65.233 42.588 10.132 1.00 43.07 ? O2 DT 24 D 1 +ATOM 875 N N3 DT 15 . . B 2 66.555 44.381 10.526 1.00 49.95 ? N3 DT 24 D 1 +ATOM 876 C C4 DT 15 . . B 2 66.807 45.733 10.814 1.00 42.83 ? C4 DT 24 D 1 +ATOM 877 O O4 DT 15 . . B 2 67.958 46.144 10.939 1.00 37.01 ? O4 DT 24 D 1 +ATOM 878 C C5 DT 15 . . B 2 65.681 46.569 10.948 1.00 50.44 ? C5 DT 24 D 1 +ATOM 879 C C7 DT 15 . . B 2 65.917 48.008 11.275 1.00 46.54 ? C7 DT 24 D 1 +ATOM 880 C C6 DT 15 . . B 2 64.472 46.018 10.774 1.00 55 ? C6 DT 24 D 1 +ATOM 881 P P DC 16 . . B 2 59.823 43.757 13.862 1.00 45.23 ? P DC 25 D 1 +ATOM 882 O OP1 DC 16 . . B 2 58.552 43.027 14.152 1.00 51.17 ? OP1 DC 25 D 1 +ATOM 883 O OP2 DC 16 . . B 2 60.052 45.094 14.466 1.00 55 ? OP2 DC 25 D 1 +ATOM 884 O "O5'" DC 16 . . B 2 61.082 42.915 14.316 1.00 43.4 ? "O5'" DC 25 D 1 +ATOM 885 C "C5'" DC 16 . . B 2 61.259 41.597 13.863 1.00 44.9 ? "C5'" DC 25 D 1 +ATOM 886 C "C4'" DC 16 . . B 2 62.596 41.073 14.327 1.00 48.98 ? "C4'" DC 25 D 1 +ATOM 887 O "O4'" DC 16 . . B 2 63.644 41.993 13.944 1.00 49.36 ? "O4'" DC 25 D 1 +ATOM 888 C "C3'" DC 16 . . B 2 62.752 40.851 15.838 1.00 55 ? "C3'" DC 25 D 1 +ATOM 889 O "O3'" DC 16 . . B 2 63.248 39.495 16.003 1.00 55 ? "O3'" DC 25 D 1 +ATOM 890 C "C2'" DC 16 . . B 2 63.778 41.910 16.252 1.00 49 ? "C2'" DC 25 D 1 +ATOM 891 C "C1'" DC 16 . . B 2 64.600 42.047 14.978 1.00 48.81 ? "C1'" DC 25 D 1 +ATOM 892 N N1 DC 16 . . B 2 65.363 43.291 14.797 1.00 48.4 ? N1 DC 25 D 1 +ATOM 893 C C2 DC 16 . . B 2 66.620 43.227 14.136 1.00 46.96 ? C2 DC 25 D 1 +ATOM 894 O O2 DC 16 . . B 2 67.067 42.118 13.721 1.00 41.01 ? O2 DC 25 D 1 +ATOM 895 N N3 DC 16 . . B 2 67.318 44.357 13.966 1.00 45.61 ? N3 DC 25 D 1 +ATOM 896 C C4 DC 16 . . B 2 66.806 45.518 14.418 1.00 45.62 ? C4 DC 25 D 1 +ATOM 897 N N4 DC 16 . . B 2 67.531 46.619 14.210 1.00 40.43 ? N4 DC 25 D 1 +ATOM 898 C C5 DC 16 . . B 2 65.551 45.599 15.087 1.00 45.76 ? C5 DC 25 D 1 +ATOM 899 C C6 DC 16 . . B 2 64.873 44.484 15.253 1.00 42.16 ? C6 DC 25 D 1 +ATOM 900 P P DG 17 . . B 2 62.654 38.505 17.163 1.00 49.77 ? P DG 26 D 1 +ATOM 901 O OP1 DG 17 . . B 2 61.433 37.732 16.764 1.00 52.71 ? OP1 DG 26 D 1 +ATOM 902 O OP2 DG 17 . . B 2 62.610 39.303 18.437 1.00 55 ? OP2 DG 26 D 1 +ATOM 903 O "O5'" DG 17 . . B 2 63.794 37.398 17.153 1.00 47.44 ? "O5'" DG 26 D 1 +ATOM 904 C "C5'" DG 17 . . B 2 64.187 36.792 15.925 1.00 42.09 ? "C5'" DG 26 D 1 +ATOM 905 C "C4'" DG 17 . . B 2 65.614 36.362 16.046 1.00 43.6 ? "C4'" DG 26 D 1 +ATOM 906 O "O4'" DG 17 . . B 2 66.473 37.546 16.005 1.00 51.4 ? "O4'" DG 26 D 1 +ATOM 907 C "C3'" DG 17 . . B 2 65.827 35.763 17.424 1.00 43.5 ? "C3'" DG 26 D 1 +ATOM 908 O "O3'" DG 17 . . B 2 66.828 34.741 17.320 1.00 52.09 ? "O3'" DG 26 D 1 +ATOM 909 C "C2'" DG 17 . . B 2 66.255 36.976 18.265 1.00 47.87 ? "C2'" DG 26 D 1 +ATOM 910 C "C1'" DG 17 . . B 2 67.109 37.773 17.286 1.00 48.54 ? "C1'" DG 26 D 1 +ATOM 911 N N9 DG 17 . . B 2 67.250 39.228 17.427 1.00 38.12 ? N9 DG 26 D 1 +ATOM 912 C C8 DG 17 . . B 2 66.246 40.140 17.640 1.00 43.8 ? C8 DG 26 D 1 +ATOM 913 N N7 DG 17 . . B 2 66.661 41.380 17.642 1.00 36.92 ? N7 DG 26 D 1 +ATOM 914 C C5 DG 17 . . B 2 68.033 41.284 17.435 1.00 41.01 ? C5 DG 26 D 1 +ATOM 915 C C6 DG 17 . . B 2 69.063 42.328 17.270 1.00 44.75 ? C6 DG 26 D 1 +ATOM 916 O O6 DG 17 . . B 2 68.950 43.573 17.314 1.00 47.53 ? O6 DG 26 D 1 +ATOM 917 N N1 DG 17 . . B 2 70.312 41.778 17.032 1.00 43.5 ? N1 DG 26 D 1 +ATOM 918 C C2 DG 17 . . B 2 70.570 40.445 16.958 1.00 42.91 ? C2 DG 26 D 1 +ATOM 919 N N2 DG 17 . . B 2 71.853 40.155 16.729 1.00 53.81 ? N2 DG 26 D 1 +ATOM 920 N N3 DG 17 . . B 2 69.652 39.471 17.097 1.00 35.37 ? N3 DG 26 D 1 +ATOM 921 C C4 DG 17 . . B 2 68.418 39.958 17.325 1.00 36.11 ? C4 DG 26 D 1 +ATOM 922 O "O5'" DA 1 . . D 2 52.196 46.541 -24.451 1.00 31.3 ? "O5'" DA 13 F 1 +ATOM 923 C "C5'" DA 1 . . D 2 51.581 46.001 -23.228 1.00 41.3 ? "C5'" DA 13 F 1 +ATOM 924 C "C4'" DA 1 . . D 2 50.321 46.697 -22.750 1.00 42.45 ? "C4'" DA 13 F 1 +ATOM 925 O "O4'" DA 1 . . D 2 50.662 47.980 -22.131 1.00 45.17 ? "O4'" DA 13 F 1 +ATOM 926 C "C3'" DA 1 . . D 2 49.321 47.004 -23.875 1.00 44.98 ? "C3'" DA 13 F 1 +ATOM 927 O "O3'" DA 1 . . D 2 48.046 46.436 -23.524 1.00 46.35 ? "O3'" DA 13 F 1 +ATOM 928 C "C2'" DA 1 . . D 2 49.338 48.533 -23.993 1.00 35.4 ? "C2'" DA 13 F 1 +ATOM 929 C "C1'" DA 1 . . D 2 49.751 48.987 -22.598 1.00 38.85 ? "C1'" DA 13 F 1 +ATOM 930 N N9 DA 1 . . D 2 50.387 50.318 -22.455 1.00 38.98 ? N9 DA 13 F 1 +ATOM 931 C C8 DA 1 . . D 2 51.613 50.722 -22.895 1.00 40.38 ? C8 DA 13 F 1 +ATOM 932 N N7 DA 1 . . D 2 51.899 51.977 -22.596 1.00 42.52 ? N7 DA 13 F 1 +ATOM 933 C C5 DA 1 . . D 2 50.785 52.437 -21.920 1.00 40.69 ? C5 DA 13 F 1 +ATOM 934 C C6 DA 1 . . D 2 50.474 53.682 -21.298 1.00 37.34 ? C6 DA 13 F 1 +ATOM 935 N N6 DA 1 . . D 2 51.265 54.771 -21.281 1.00 31.64 ? N6 DA 13 F 1 +ATOM 936 N N1 DA 1 . . D 2 49.295 53.785 -20.671 1.00 36.19 ? N1 DA 13 F 1 +ATOM 937 C C2 DA 1 . . D 2 48.483 52.726 -20.664 1.00 31.26 ? C2 DA 13 F 1 +ATOM 938 N N3 DA 1 . . D 2 48.648 51.525 -21.195 1.00 36.31 ? N3 DA 13 F 1 +ATOM 939 C C4 DA 1 . . D 2 49.837 51.433 -21.821 1.00 42.68 ? C4 DA 13 F 1 +ATOM 940 P P DT 2 . . D 2 46.728 46.691 -24.460 1.00 55 ? P DT 12 F 1 +ATOM 941 O OP1 DT 2 . . D 2 45.971 45.420 -24.764 1.00 53.9 ? OP1 DT 12 F 1 +ATOM 942 O OP2 DT 2 . . D 2 47.107 47.604 -25.590 1.00 52.04 ? OP2 DT 12 F 1 +ATOM 943 O "O5'" DT 2 . . D 2 45.732 47.449 -23.461 1.00 55 ? "O5'" DT 12 F 1 +ATOM 944 C "C5'" DT 2 . . D 2 46.145 47.837 -22.120 1.00 55 ? "C5'" DT 12 F 1 +ATOM 945 C "C4'" DT 2 . . D 2 45.278 48.980 -21.632 1.00 52.68 ? "C4'" DT 12 F 1 +ATOM 946 O "O4'" DT 2 . . D 2 46.029 50.159 -21.256 1.00 49.1 ? "O4'" DT 12 F 1 +ATOM 947 C "C3'" DT 2 . . D 2 44.387 49.439 -22.765 1.00 51.1 ? "C3'" DT 12 F 1 +ATOM 948 O "O3'" DT 2 . . D 2 43.335 48.484 -22.774 1.00 45.01 ? "O3'" DT 12 F 1 +ATOM 949 C "C2'" DT 2 . . D 2 44.076 50.889 -22.424 1.00 46.07 ? "C2'" DT 12 F 1 +ATOM 950 C "C1'" DT 2 . . D 2 45.256 51.319 -21.546 1.00 47.38 ? "C1'" DT 12 F 1 +ATOM 951 N N1 DT 2 . . D 2 46.145 52.344 -22.134 1.00 52.18 ? N1 DT 12 F 1 +ATOM 952 C C2 DT 2 . . D 2 46.130 53.608 -21.549 1.00 50.13 ? C2 DT 12 F 1 +ATOM 953 O O2 DT 2 . . D 2 45.438 53.903 -20.582 1.00 51.28 ? O2 DT 12 F 1 +ATOM 954 N N3 DT 2 . . D 2 46.956 54.519 -22.132 1.00 46.57 ? N3 DT 12 F 1 +ATOM 955 C C4 DT 2 . . D 2 47.789 54.326 -23.192 1.00 55 ? C4 DT 12 F 1 +ATOM 956 O O4 DT 2 . . D 2 48.458 55.256 -23.575 1.00 55 ? O4 DT 12 F 1 +ATOM 957 C C5 DT 2 . . D 2 47.783 52.971 -23.769 1.00 55 ? C5 DT 12 F 1 +ATOM 958 C C7 DT 2 . . D 2 48.680 52.654 -24.930 1.00 50.79 ? C7 DT 12 F 1 +ATOM 959 C C6 DT 2 . . D 2 46.960 52.063 -23.214 1.00 54.47 ? C6 DT 12 F 1 +ATOM 960 P P DA 3 . . D 2 41.836 48.933 -22.564 1.00 46.55 ? P DA 11 F 1 +ATOM 961 O OP1 DA 3 . . D 2 41.275 47.776 -21.806 1.00 55 ? OP1 DA 11 F 1 +ATOM 962 O OP2 DA 3 . . D 2 41.274 49.315 -23.894 1.00 39.55 ? OP2 DA 11 F 1 +ATOM 963 O "O5'" DA 3 . . D 2 41.856 50.207 -21.604 1.00 48.88 ? "O5'" DA 11 F 1 +ATOM 964 C "C5'" DA 3 . . D 2 41.417 50.113 -20.250 1.00 42.78 ? "C5'" DA 11 F 1 +ATOM 965 C "C4'" DA 3 . . D 2 40.939 51.457 -19.738 1.00 35.19 ? "C4'" DA 11 F 1 +ATOM 966 O "O4'" DA 3 . . D 2 41.801 52.552 -20.135 1.00 29.52 ? "O4'" DA 11 F 1 +ATOM 967 C "C3'" DA 3 . . D 2 39.522 51.866 -20.110 1.00 23.23 ? "C3'" DA 11 F 1 +ATOM 968 O "O3'" DA 3 . . D 2 39.007 52.433 -18.920 1.00 21.96 ? "O3'" DA 11 F 1 +ATOM 969 C "C2'" DA 3 . . D 2 39.746 52.907 -21.207 1.00 33.06 ? "C2'" DA 11 F 1 +ATOM 970 C "C1'" DA 3 . . D 2 41.085 53.558 -20.853 1.00 34.91 ? "C1'" DA 11 F 1 +ATOM 971 N N9 DA 3 . . D 2 41.957 53.988 -21.964 1.00 40.51 ? N9 DA 11 F 1 +ATOM 972 C C8 DA 3 . . D 2 42.041 53.474 -23.229 1.00 40.12 ? C8 DA 11 F 1 +ATOM 973 N N7 DA 3 . . D 2 42.957 54.053 -23.979 1.00 33.1 ? N7 DA 11 F 1 +ATOM 974 C C5 DA 3 . . D 2 43.511 55.022 -23.157 1.00 32.05 ? C5 DA 11 F 1 +ATOM 975 C C6 DA 3 . . D 2 44.559 55.998 -23.355 1.00 30.22 ? C6 DA 11 F 1 +ATOM 976 N N6 DA 3 . . D 2 45.285 56.170 -24.469 1.00 32.82 ? N6 DA 11 F 1 +ATOM 977 N N1 DA 3 . . D 2 44.841 56.817 -22.320 1.00 37.16 ? N1 DA 11 F 1 +ATOM 978 C C2 DA 3 . . D 2 44.136 56.665 -21.167 1.00 40.96 ? C2 DA 11 F 1 +ATOM 979 N N3 DA 3 . . D 2 43.164 55.802 -20.872 1.00 38.91 ? N3 DA 11 F 1 +ATOM 980 C C4 DA 3 . . D 2 42.894 55.004 -21.914 1.00 34.63 ? C4 DA 11 F 1 +ATOM 981 P P DT 4 . . D 2 37.444 52.492 -18.639 1.00 25.31 ? P DT 10 F 1 +ATOM 982 O OP1 DT 4 . . D 2 37.439 52.255 -17.212 1.00 21.49 ? OP1 DT 10 F 1 +ATOM 983 O OP2 DT 4 . . D 2 36.623 51.611 -19.507 1.00 24.13 ? OP2 DT 10 F 1 +ATOM 984 O "O5'" DT 4 . . D 2 37.177 54.041 -18.904 1.00 29.28 ? "O5'" DT 10 F 1 +ATOM 985 C "C5'" DT 4 . . D 2 38.141 54.937 -18.368 1.00 27.46 ? "C5'" DT 10 F 1 +ATOM 986 C "C4'" DT 4 . . D 2 37.919 56.362 -18.795 1.00 23.29 ? "C4'" DT 10 F 1 +ATOM 987 O "O4'" DT 4 . . D 2 38.799 56.730 -19.866 1.00 30.99 ? "O4'" DT 10 F 1 +ATOM 988 C "C3'" DT 4 . . D 2 36.546 56.885 -19.166 1.00 29.2 ? "C3'" DT 10 F 1 +ATOM 989 O "O3'" DT 4 . . D 2 36.486 58.027 -18.260 1.00 28.19 ? "O3'" DT 10 F 1 +ATOM 990 C "C2'" DT 4 . . D 2 36.656 57.130 -20.684 1.00 26.83 ? "C2'" DT 10 F 1 +ATOM 991 C "C1'" DT 4 . . D 2 38.122 57.472 -20.906 1.00 27.54 ? "C1'" DT 10 F 1 +ATOM 992 N N1 DT 4 . . D 2 38.894 57.151 -22.187 1.00 38.03 ? N1 DT 10 F 1 +ATOM 993 C C2 DT 4 . . D 2 39.951 58.016 -22.554 1.00 41.72 ? C2 DT 10 F 1 +ATOM 994 O O2 DT 4 . . D 2 40.216 59.054 -21.967 1.00 43.8 ? O2 DT 10 F 1 +ATOM 995 N N3 DT 4 . . D 2 40.686 57.607 -23.641 1.00 38.13 ? N3 DT 10 F 1 +ATOM 996 C C4 DT 4 . . D 2 40.495 56.485 -24.393 1.00 27.21 ? C4 DT 10 F 1 +ATOM 997 O O4 DT 4 . . D 2 41.268 56.252 -25.297 1.00 34.86 ? O4 DT 10 F 1 +ATOM 998 C C5 DT 4 . . D 2 39.364 55.656 -24.018 1.00 28.27 ? C5 DT 10 F 1 +ATOM 999 C C7 DT 4 . . D 2 39.060 54.429 -24.814 1.00 28.01 ? C7 DT 10 F 1 +ATOM 1000 C C6 DT 4 . . D 2 38.624 56.027 -22.956 1.00 34.11 ? C6 DT 10 F 1 +ATOM 1001 P P DG 5 . . D 2 35.672 59.367 -18.605 1.00 19.85 ? P DG 9 F 1 +ATOM 1002 O OP1 DG 5 . . D 2 35.538 59.937 -17.258 1.00 29.14 ? OP1 DG 9 F 1 +ATOM 1003 O OP2 DG 5 . . D 2 34.423 59.200 -19.435 1.00 19.55 ? OP2 DG 9 F 1 +ATOM 1004 O "O5'" DG 5 . . D 2 36.811 60.228 -19.246 1.00 22.89 ? "O5'" DG 9 F 1 +ATOM 1005 C "C5'" DG 5 . . D 2 37.757 60.811 -18.379 1.00 29.57 ? "C5'" DG 9 F 1 +ATOM 1006 C "C4'" DG 5 . . D 2 38.074 62.225 -18.806 1.00 25.07 ? "C4'" DG 9 F 1 +ATOM 1007 O "O4'" DG 5 . . D 2 38.736 62.193 -20.087 1.00 20.95 ? "O4'" DG 9 F 1 +ATOM 1008 C "C3'" DG 5 . . D 2 36.879 63.148 -18.993 1.00 23.23 ? "C3'" DG 9 F 1 +ATOM 1009 O "O3'" DG 5 . . D 2 37.364 64.488 -18.898 1.00 34.69 ? "O3'" DG 9 F 1 +ATOM 1010 C "C2'" DG 5 . . D 2 36.502 62.869 -20.419 1.00 21.51 ? "C2'" DG 9 F 1 +ATOM 1011 C "C1'" DG 5 . . D 2 37.871 62.686 -21.036 1.00 21.86 ? "C1'" DG 9 F 1 +ATOM 1012 N N9 DG 5 . . D 2 37.826 61.772 -22.142 1.00 22.16 ? N9 DG 9 F 1 +ATOM 1013 C C8 DG 5 . . D 2 37.060 60.675 -22.294 1.00 18.22 ? C8 DG 9 F 1 +ATOM 1014 N N7 DG 5 . . D 2 37.229 60.095 -23.444 1.00 29.66 ? N7 DG 9 F 1 +ATOM 1015 C C5 DG 5 . . D 2 38.179 60.875 -24.077 1.00 32.74 ? C5 DG 9 F 1 +ATOM 1016 C C6 DG 5 . . D 2 38.746 60.773 -25.351 1.00 36.61 ? C6 DG 9 F 1 +ATOM 1017 O O6 DG 5 . . D 2 38.503 59.939 -26.236 1.00 37.57 ? O6 DG 9 F 1 +ATOM 1018 N N1 DG 5 . . D 2 39.686 61.780 -25.580 1.00 33.84 ? N1 DG 9 F 1 +ATOM 1019 C C2 DG 5 . . D 2 40.027 62.770 -24.680 1.00 39.28 ? C2 DG 9 F 1 +ATOM 1020 N N2 DG 5 . . D 2 40.984 63.670 -25.035 1.00 37.76 ? N2 DG 9 F 1 +ATOM 1021 N N3 DG 5 . . D 2 39.474 62.877 -23.500 1.00 37.04 ? N3 DG 9 F 1 +ATOM 1022 C C4 DG 5 . . D 2 38.566 61.899 -23.271 1.00 33.89 ? C4 DG 9 F 1 +ATOM 1023 P P DT 6 . . D 2 36.400 65.721 -19.210 1.00 36.67 ? P DT 8 F 1 +ATOM 1024 O OP1 DT 6 . . D 2 36.894 66.806 -18.292 1.00 36.61 ? OP1 DT 8 F 1 +ATOM 1025 O OP2 DT 6 . . D 2 34.989 65.228 -19.094 1.00 27.67 ? OP2 DT 8 F 1 +ATOM 1026 O "O5'" DT 6 . . D 2 36.698 66.089 -20.755 1.00 39.41 ? "O5'" DT 8 F 1 +ATOM 1027 C "C5'" DT 6 . . D 2 38.050 66.099 -21.274 1.00 39.26 ? "C5'" DT 8 F 1 +ATOM 1028 C "C4'" DT 6 . . D 2 38.192 67.018 -22.471 1.00 33.08 ? "C4'" DT 8 F 1 +ATOM 1029 O "O4'" DT 6 . . D 2 38.414 66.244 -23.683 1.00 31.25 ? "O4'" DT 8 F 1 +ATOM 1030 C "C3'" DT 6 . . D 2 36.968 67.883 -22.727 1.00 32.96 ? "C3'" DT 8 F 1 +ATOM 1031 O "O3'" DT 6 . . D 2 37.319 69.115 -23.352 1.00 34.95 ? "O3'" DT 8 F 1 +ATOM 1032 C "C2'" DT 6 . . D 2 36.193 67.060 -23.714 1.00 32.42 ? "C2'" DT 8 F 1 +ATOM 1033 C "C1'" DT 6 . . D 2 37.288 66.371 -24.525 1.00 33.16 ? "C1'" DT 8 F 1 +ATOM 1034 N N1 DT 6 . . D 2 36.805 65.033 -24.971 1.00 28.95 ? N1 DT 8 F 1 +ATOM 1035 C C2 DT 6 . . D 2 37.477 64.342 -25.924 1.00 29.83 ? C2 DT 8 F 1 +ATOM 1036 O O2 DT 6 . . D 2 38.498 64.732 -26.403 1.00 40.47 ? O2 DT 8 F 1 +ATOM 1037 N N3 DT 6 . . D 2 36.910 63.171 -26.298 1.00 28.22 ? N3 DT 8 F 1 +ATOM 1038 C C4 DT 6 . . D 2 35.758 62.623 -25.816 1.00 26.31 ? C4 DT 8 F 1 +ATOM 1039 O O4 DT 6 . . D 2 35.362 61.579 -26.263 1.00 33.65 ? O4 DT 8 F 1 +ATOM 1040 C C5 DT 6 . . D 2 35.100 63.369 -24.793 1.00 28.16 ? C5 DT 8 F 1 +ATOM 1041 C C7 DT 6 . . D 2 33.830 62.824 -24.188 1.00 24.72 ? C7 DT 8 F 1 +ATOM 1042 C C6 DT 6 . . D 2 35.652 64.527 -24.420 1.00 27.42 ? C6 DT 8 F 1 +ATOM 1043 P P DC 7 . . D 2 36.433 70.448 -23.065 1.00 41.78 ? P DC 7 F 1 +ATOM 1044 O OP1 DC 7 . . D 2 37.409 71.404 -22.521 1.00 42.03 ? OP1 DC 7 F 1 +ATOM 1045 O OP2 DC 7 . . D 2 35.115 70.273 -22.361 1.00 33.42 ? OP2 DC 7 F 1 +ATOM 1046 O "O5'" DC 7 . . D 2 36.070 70.940 -24.525 1.00 36.89 ? "O5'" DC 7 F 1 +ATOM 1047 C "C5'" DC 7 . . D 2 37.074 71.156 -25.522 1.00 28.88 ? "C5'" DC 7 F 1 +ATOM 1048 C "C4'" DC 7 . . D 2 36.363 71.298 -26.830 1.00 30.64 ? "C4'" DC 7 F 1 +ATOM 1049 O "O4'" DC 7 . . D 2 36.028 69.937 -27.246 1.00 25.93 ? "O4'" DC 7 F 1 +ATOM 1050 C "C3'" DC 7 . . D 2 35.039 72.004 -26.488 1.00 38.23 ? "C3'" DC 7 F 1 +ATOM 1051 O "O3'" DC 7 . . D 2 34.697 73.146 -27.282 1.00 43.55 ? "O3'" DC 7 F 1 +ATOM 1052 C "C2'" DC 7 . . D 2 33.981 70.932 -26.586 1.00 38.97 ? "C2'" DC 7 F 1 +ATOM 1053 C "C1'" DC 7 . . D 2 34.618 69.853 -27.453 1.00 40.17 ? "C1'" DC 7 F 1 +ATOM 1054 N N1 DC 7 . . D 2 34.074 68.496 -27.113 1.00 38.99 ? N1 DC 7 F 1 +ATOM 1055 C C2 DC 7 . . D 2 34.634 67.312 -27.657 1.00 39.07 ? C2 DC 7 F 1 +ATOM 1056 O O2 DC 7 . . D 2 35.623 67.386 -28.434 1.00 45.21 ? O2 DC 7 F 1 +ATOM 1057 N N3 DC 7 . . D 2 34.066 66.115 -27.324 1.00 27.67 ? N3 DC 7 F 1 +ATOM 1058 C C4 DC 7 . . D 2 33.017 66.081 -26.524 1.00 29.36 ? C4 DC 7 F 1 +ATOM 1059 N N4 DC 7 . . D 2 32.503 64.931 -26.254 1.00 28.91 ? N4 DC 7 F 1 +ATOM 1060 C C5 DC 7 . . D 2 32.447 67.243 -25.967 1.00 40.15 ? C5 DC 7 F 1 +ATOM 1061 C C6 DC 7 . . D 2 32.994 68.410 -26.273 1.00 40.85 ? C6 DC 7 F 1 +ATOM 1062 P P DA 8 . . D 2 33.414 74.059 -26.862 1.00 53.93 ? P DA 6 F 1 +ATOM 1063 O OP1 DA 8 . . D 2 34.057 75.392 -26.618 1.00 55 ? OP1 DA 6 F 1 +ATOM 1064 O OP2 DA 8 . . D 2 32.496 73.443 -25.823 1.00 39.57 ? OP2 DA 6 F 1 +ATOM 1065 O "O5'" DA 8 . . D 2 32.554 74.101 -28.196 1.00 46.92 ? "O5'" DA 6 F 1 +ATOM 1066 C "C5'" DA 8 . . D 2 33.167 73.698 -29.403 1.00 42.42 ? "C5'" DA 6 F 1 +ATOM 1067 C "C4'" DA 8 . . D 2 32.126 73.396 -30.447 1.00 50.7 ? "C4'" DA 6 F 1 +ATOM 1068 O "O4'" DA 8 . . D 2 31.749 72.009 -30.415 1.00 49.45 ? "O4'" DA 6 F 1 +ATOM 1069 C "C3'" DA 8 . . D 2 30.829 74.166 -30.296 1.00 47.93 ? "C3'" DA 6 F 1 +ATOM 1070 O "O3'" DA 8 . . D 2 30.318 74.255 -31.642 1.00 53.68 ? "O3'" DA 6 F 1 +ATOM 1071 C "C2'" DA 8 . . D 2 30.033 73.228 -29.398 1.00 47.48 ? "C2'" DA 6 F 1 +ATOM 1072 C "C1'" DA 8 . . D 2 30.399 71.884 -29.994 1.00 53.11 ? "C1'" DA 6 F 1 +ATOM 1073 N N9 DA 8 . . D 2 30.361 70.722 -29.116 1.00 51.97 ? N9 DA 6 F 1 +ATOM 1074 C C8 DA 8 . . D 2 30.682 70.603 -27.790 1.00 42.75 ? C8 DA 6 F 1 +ATOM 1075 N N7 DA 8 . . D 2 30.560 69.386 -27.331 1.00 47.98 ? N7 DA 6 F 1 +ATOM 1076 C C5 DA 8 . . D 2 30.124 68.657 -28.434 1.00 53.16 ? C5 DA 6 F 1 +ATOM 1077 C C6 DA 8 . . D 2 29.817 67.295 -28.615 1.00 55 ? C6 DA 6 F 1 +ATOM 1078 N N6 DA 8 . . D 2 29.913 66.396 -27.634 1.00 55 ? N6 DA 6 F 1 +ATOM 1079 N N1 DA 8 . . D 2 29.407 66.886 -29.851 1.00 52.93 ? N1 DA 6 F 1 +ATOM 1080 C C2 DA 8 . . D 2 29.322 67.794 -30.821 1.00 44.78 ? C2 DA 6 F 1 +ATOM 1081 N N3 DA 8 . . D 2 29.590 69.102 -30.771 1.00 54.97 ? N3 DA 6 F 1 +ATOM 1082 C C4 DA 8 . . D 2 29.990 69.469 -29.533 1.00 53.44 ? C4 DA 6 F 1 +ATOM 1083 P P DC 9 . . D 2 29.468 75.536 -32.143 1.00 46.67 ? P DC 5 F 1 +ATOM 1084 O OP1 DC 9 . . D 2 30.257 75.987 -33.325 1.00 50.45 ? OP1 DC 5 F 1 +ATOM 1085 O OP2 DC 9 . . D 2 29.119 76.521 -31.047 1.00 49.02 ? OP2 DC 5 F 1 +ATOM 1086 O "O5'" DC 9 . . D 2 28.130 74.833 -32.651 1.00 41.87 ? "O5'" DC 5 F 1 +ATOM 1087 C "C5'" DC 9 . . D 2 28.210 73.631 -33.429 1.00 45.32 ? "C5'" DC 5 F 1 +ATOM 1088 C "C4'" DC 9 . . D 2 26.855 72.979 -33.548 1.00 42.97 ? "C4'" DC 5 F 1 +ATOM 1089 O "O4'" DC 9 . . D 2 26.819 71.829 -32.685 1.00 49.2 ? "O4'" DC 5 F 1 +ATOM 1090 C "C3'" DC 9 . . D 2 25.672 73.850 -33.143 1.00 42.69 ? "C3'" DC 5 F 1 +ATOM 1091 O "O3'" DC 9 . . D 2 24.552 73.544 -34.010 1.00 50.45 ? "O3'" DC 5 F 1 +ATOM 1092 C "C2'" DC 9 . . D 2 25.412 73.420 -31.696 1.00 44.72 ? "C2'" DC 5 F 1 +ATOM 1093 C "C1'" DC 9 . . D 2 25.736 71.926 -31.738 1.00 50.94 ? "C1'" DC 5 F 1 +ATOM 1094 N N1 DC 9 . . D 2 26.172 71.245 -30.469 1.00 46.13 ? N1 DC 5 F 1 +ATOM 1095 C C2 DC 9 . . D 2 26.309 69.818 -30.451 1.00 51.37 ? C2 DC 5 F 1 +ATOM 1096 O O2 DC 9 . . D 2 26.042 69.165 -31.466 1.00 53.46 ? O2 DC 5 F 1 +ATOM 1097 N N3 DC 9 . . D 2 26.727 69.192 -29.320 1.00 54.36 ? N3 DC 5 F 1 +ATOM 1098 C C4 DC 9 . . D 2 27.000 69.907 -28.228 1.00 54.99 ? C4 DC 5 F 1 +ATOM 1099 N N4 DC 9 . . D 2 27.414 69.243 -27.139 1.00 46.19 ? N4 DC 5 F 1 +ATOM 1100 C C5 DC 9 . . D 2 26.863 71.338 -28.204 1.00 52.13 ? C5 DC 5 F 1 +ATOM 1101 C C6 DC 9 . . D 2 26.449 71.958 -29.335 1.00 49.39 ? C6 DC 5 F 1 +ATOM 1102 P P DA 10 . . D 2 24.433 74.190 -35.511 1.00 45.95 ? P DA 4 F 1 +ATOM 1103 O OP1 DA 10 . . D 2 25.683 74.053 -36.303 1.00 34.48 ? OP1 DA 4 F 1 +ATOM 1104 O OP2 DA 10 . . D 2 23.812 75.534 -35.333 1.00 39.41 ? OP2 DA 4 F 1 +ATOM 1105 O "O5'" DA 10 . . D 2 23.388 73.213 -36.229 1.00 42.5 ? "O5'" DA 4 F 1 +ATOM 1106 C "C5'" DA 10 . . D 2 23.835 72.267 -37.213 1.00 38.52 ? "C5'" DA 4 F 1 +ATOM 1107 C "C4'" DA 10 . . D 2 23.231 70.892 -36.991 1.00 35.99 ? "C4'" DA 4 F 1 +ATOM 1108 O "O4'" DA 10 . . D 2 23.530 70.482 -35.643 1.00 37.73 ? "O4'" DA 4 F 1 +ATOM 1109 C "C3'" DA 10 . . D 2 21.723 70.673 -37.200 1.00 35.99 ? "C3'" DA 4 F 1 +ATOM 1110 O "O3'" DA 10 . . D 2 21.567 69.482 -38.026 1.00 35.44 ? "O3'" DA 4 F 1 +ATOM 1111 C "C2'" DA 10 . . D 2 21.180 70.516 -35.785 1.00 33.37 ? "C2'" DA 4 F 1 +ATOM 1112 C "C1'" DA 10 . . D 2 22.375 70.004 -34.966 1.00 38.01 ? "C1'" DA 4 F 1 +ATOM 1113 N N9 DA 10 . . D 2 22.524 70.426 -33.556 1.00 38.99 ? N9 DA 4 F 1 +ATOM 1114 C C8 DA 10 . . D 2 22.369 71.682 -33.021 1.00 43.06 ? C8 DA 4 F 1 +ATOM 1115 N N7 DA 10 . . D 2 22.607 71.748 -31.718 1.00 42.94 ? N7 DA 4 F 1 +ATOM 1116 C C5 DA 10 . . D 2 22.936 70.456 -31.370 1.00 44.85 ? C5 DA 4 F 1 +ATOM 1117 C C6 DA 10 . . D 2 23.314 69.859 -30.120 1.00 47.21 ? C6 DA 4 F 1 +ATOM 1118 N N6 DA 10 . . D 2 23.425 70.512 -28.951 1.00 39.79 ? N6 DA 4 F 1 +ATOM 1119 N N1 DA 10 . . D 2 23.580 68.533 -30.121 1.00 47.12 ? N1 DA 4 F 1 +ATOM 1120 C C2 DA 10 . . D 2 23.469 67.861 -31.305 1.00 47.74 ? C2 DA 4 F 1 +ATOM 1121 N N3 DA 10 . . D 2 23.130 68.307 -32.522 1.00 40.17 ? N3 DA 4 F 1 +ATOM 1122 C C4 DA 10 . . D 2 22.878 69.620 -32.491 1.00 44.31 ? C4 DA 4 F 1 +ATOM 1123 P P DC 11 . . D 2 20.095 68.958 -38.513 1.00 47.89 ? P DC 3 F 1 +ATOM 1124 O OP1 DC 11 . . D 2 20.241 68.290 -39.818 1.00 36.78 ? OP1 DC 3 F 1 +ATOM 1125 O OP2 DC 11 . . D 2 19.014 69.985 -38.333 1.00 39.32 ? OP2 DC 3 F 1 +ATOM 1126 O "O5'" DC 11 . . D 2 19.816 67.764 -37.506 1.00 45.4 ? "O5'" DC 3 F 1 +ATOM 1127 C "C5'" DC 11 . . D 2 20.904 67.079 -36.902 1.00 41.57 ? "C5'" DC 3 F 1 +ATOM 1128 C "C4'" DC 11 . . D 2 20.377 66.265 -35.761 1.00 39.86 ? "C4'" DC 3 F 1 +ATOM 1129 O "O4'" DC 11 . . D 2 20.571 67.009 -34.539 1.00 38.8 ? "O4'" DC 3 F 1 +ATOM 1130 C "C3'" DC 11 . . D 2 18.867 66.061 -35.924 1.00 38.18 ? "C3'" DC 3 F 1 +ATOM 1131 O "O3'" DC 11 . . D 2 18.538 64.677 -35.799 1.00 41.93 ? "O3'" DC 3 F 1 +ATOM 1132 C "C2'" DC 11 . . D 2 18.252 66.909 -34.824 1.00 34.44 ? "C2'" DC 3 F 1 +ATOM 1133 C "C1'" DC 11 . . D 2 19.360 66.955 -33.780 1.00 44.33 ? "C1'" DC 3 F 1 +ATOM 1134 N N1 DC 11 . . D 2 19.335 68.103 -32.828 1.00 44.31 ? N1 DC 3 F 1 +ATOM 1135 C C2 DC 11 . . D 2 19.130 67.874 -31.472 1.00 36.7 ? C2 DC 3 F 1 +ATOM 1136 O O2 DC 11 . . D 2 18.968 66.738 -31.036 1.00 32.6 ? O2 DC 3 F 1 +ATOM 1137 N N3 DC 11 . . D 2 19.122 68.905 -30.647 1.00 37.26 ? N3 DC 3 F 1 +ATOM 1138 C C4 DC 11 . . D 2 19.315 70.137 -31.089 1.00 35.75 ? C4 DC 3 F 1 +ATOM 1139 N N4 DC 11 . . D 2 19.324 71.093 -30.184 1.00 38.64 ? N4 DC 3 F 1 +ATOM 1140 C C5 DC 11 . . D 2 19.512 70.419 -32.437 1.00 37.1 ? C5 DC 3 F 1 +ATOM 1141 C C6 DC 11 . . D 2 19.516 69.381 -33.275 1.00 46.31 ? C6 DC 3 F 1 +ATOM 1142 P P DT 12 . . D 2 16.998 64.236 -35.654 1.00 50.71 ? P DT 2 F 1 +ATOM 1143 O OP1 DT 12 . . D 2 16.766 62.963 -36.394 1.00 53.39 ? OP1 DT 2 F 1 +ATOM 1144 O OP2 DT 12 . . D 2 16.169 65.423 -35.958 1.00 48.71 ? OP2 DT 2 F 1 +ATOM 1145 O "O5'" DT 12 . . D 2 16.793 63.922 -34.088 1.00 55 ? "O5'" DT 2 F 1 +ATOM 1146 C "C5'" DT 12 . . D 2 17.625 62.959 -33.412 1.00 45.84 ? "C5'" DT 2 F 1 +ATOM 1147 C "C4'" DT 12 . . D 2 17.117 62.673 -32.016 1.00 42.4 ? "C4'" DT 2 F 1 +ATOM 1148 O "O4'" DT 12 . . D 2 17.342 63.812 -31.161 1.00 41.36 ? "O4'" DT 2 F 1 +ATOM 1149 C "C3'" DT 12 . . D 2 15.640 62.293 -31.869 1.00 43.22 ? "C3'" DT 2 F 1 +ATOM 1150 O "O3'" DT 12 . . D 2 15.595 61.140 -30.989 1.00 31.01 ? "O3'" DT 2 F 1 +ATOM 1151 C "C2'" DT 12 . . D 2 15.006 63.560 -31.304 1.00 37.22 ? "C2'" DT 2 F 1 +ATOM 1152 C "C1'" DT 12 . . D 2 16.144 64.164 -30.494 1.00 42.95 ? "C1'" DT 2 F 1 +ATOM 1153 N N1 DT 12 . . D 2 16.141 65.626 -30.366 1.00 40.49 ? N1 DT 2 F 1 +ATOM 1154 C C2 DT 12 . . D 2 16.151 66.163 -29.115 1.00 43.06 ? C2 DT 2 F 1 +ATOM 1155 O O2 DT 12 . . D 2 16.173 65.484 -28.112 1.00 47.23 ? O2 DT 2 F 1 +ATOM 1156 N N3 DT 12 . . D 2 16.142 67.531 -29.071 1.00 46.85 ? N3 DT 2 F 1 +ATOM 1157 C C4 DT 12 . . D 2 16.132 68.391 -30.137 1.00 48.2 ? C4 DT 2 F 1 +ATOM 1158 O O4 DT 12 . . D 2 16.113 69.595 -29.945 1.00 43.15 ? O4 DT 2 F 1 +ATOM 1159 C C5 DT 12 . . D 2 16.141 67.755 -31.433 1.00 48.16 ? C5 DT 2 F 1 +ATOM 1160 C C7 DT 12 . . D 2 16.164 68.603 -32.665 1.00 53.06 ? C7 DT 2 F 1 +ATOM 1161 C C6 DT 12 . . D 2 16.134 66.420 -31.478 1.00 43.85 ? C6 DT 2 F 1 +ATOM 1162 P P DT 13 . . D 2 14.211 60.367 -30.683 1.00 37.37 ? P DT 1 F 1 +ATOM 1163 O OP1 DT 13 . . D 2 14.670 58.976 -30.506 1.00 37.79 ? OP1 DT 1 F 1 +ATOM 1164 O OP2 DT 13 . . D 2 13.087 60.673 -31.585 1.00 41.13 ? OP2 DT 1 F 1 +ATOM 1165 O "O5'" DT 13 . . D 2 13.816 60.894 -29.251 1.00 39.3 ? "O5'" DT 1 F 1 +ATOM 1166 C "C5'" DT 13 . . D 2 14.780 60.741 -28.217 1.00 44.59 ? "C5'" DT 1 F 1 +ATOM 1167 C "C4'" DT 13 . . D 2 14.428 61.566 -27.007 1.00 43.29 ? "C4'" DT 1 F 1 +ATOM 1168 O "O4'" DT 13 . . D 2 14.473 62.950 -27.389 1.00 40.87 ? "O4'" DT 1 F 1 +ATOM 1169 C "C3'" DT 13 . . D 2 13.051 61.303 -26.387 1.00 35.48 ? "C3'" DT 1 F 1 +ATOM 1170 O "O3'" DT 13 . . D 2 13.270 60.727 -25.087 1.00 27.2 ? "O3'" DT 1 F 1 +ATOM 1171 C "C2'" DT 13 . . D 2 12.371 62.674 -26.395 1.00 38.9 ? "C2'" DT 1 F 1 +ATOM 1172 C "C1'" DT 13 . . D 2 13.505 63.655 -26.648 1.00 39.45 ? "C1'" DT 1 F 1 +ATOM 1173 N N1 DT 13 . . D 2 13.227 64.908 -27.390 1.00 45.13 ? N1 DT 1 F 1 +ATOM 1174 C C2 DT 13 . . D 2 12.983 66.063 -26.645 1.00 47.04 ? C2 DT 1 F 1 +ATOM 1175 O O2 DT 13 . . D 2 12.954 66.077 -25.422 1.00 45.09 ? O2 DT 1 F 1 +ATOM 1176 N N3 DT 13 . . D 2 12.777 67.215 -27.393 1.00 48.66 ? N3 DT 1 F 1 +ATOM 1177 C C4 DT 13 . . D 2 12.788 67.338 -28.778 1.00 45.61 ? C4 DT 1 F 1 +ATOM 1178 O O4 DT 13 . . D 2 12.612 68.462 -29.282 1.00 42.66 ? O4 DT 1 F 1 +ATOM 1179 C C5 DT 13 . . D 2 13.029 66.055 -29.519 1.00 46.36 ? C5 DT 1 F 1 +ATOM 1180 C C7 DT 13 . . D 2 13.038 66.047 -31.023 1.00 32.8 ? C7 DT 1 F 1 +ATOM 1181 C C6 DT 13 . . D 2 13.230 64.933 -28.786 1.00 42.1 ? C6 DT 1 F 1 +ATOM 1182 P P DT 14 . . D 2 12.041 60.373 -24.103 1.00 29.86 ? P DT -1 F 1 +ATOM 1183 O OP1 DT 14 . . D 2 12.653 59.369 -23.228 1.00 32.32 ? OP1 DT -1 F 1 +ATOM 1184 O OP2 DT 14 . . D 2 10.742 60.052 -24.723 1.00 26.97 ? OP2 DT -1 F 1 +ATOM 1185 O "O5'" DT 14 . . D 2 11.836 61.724 -23.286 1.00 29.26 ? "O5'" DT -1 F 1 +ATOM 1186 C "C5'" DT 14 . . D 2 12.940 62.296 -22.597 1.00 26.87 ? "C5'" DT -1 F 1 +ATOM 1187 C "C4'" DT 14 . . D 2 12.530 63.513 -21.795 1.00 34.36 ? "C4'" DT -1 F 1 +ATOM 1188 O "O4'" DT 14 . . D 2 12.483 64.727 -22.577 1.00 33.07 ? "O4'" DT -1 F 1 +ATOM 1189 C "C3'" DT 14 . . D 2 11.238 63.454 -20.975 1.00 25.9 ? "C3'" DT -1 F 1 +ATOM 1190 O "O3'" DT 14 . . D 2 11.638 63.910 -19.689 1.00 29.62 ? "O3'" DT -1 F 1 +ATOM 1191 C "C2'" DT 14 . . D 2 10.336 64.462 -21.654 1.00 26.94 ? "C2'" DT -1 F 1 +ATOM 1192 C "C1'" DT 14 . . D 2 11.327 65.492 -22.217 1.00 37 ? "C1'" DT -1 F 1 +ATOM 1193 N N1 DT 14 . . D 2 10.823 66.158 -23.458 1.00 39.62 ? N1 DT -1 F 1 +ATOM 1194 C C2 DT 14 . . D 2 10.977 67.524 -23.720 1.00 31.97 ? C2 DT -1 F 1 +ATOM 1195 O O2 DT 14 . . D 2 11.529 68.329 -23.004 1.00 23.3 ? O2 DT -1 F 1 +ATOM 1196 N N3 DT 14 . . D 2 10.440 67.908 -24.903 1.00 38.09 ? N3 DT -1 F 1 +ATOM 1197 C C4 DT 14 . . D 2 9.791 67.126 -25.835 1.00 36.94 ? C4 DT -1 F 1 +ATOM 1198 O O4 DT 14 . . D 2 9.379 67.645 -26.859 1.00 43.13 ? O4 DT -1 F 1 +ATOM 1199 C C5 DT 14 . . D 2 9.666 65.742 -25.503 1.00 33.31 ? C5 DT -1 F 1 +ATOM 1200 C C7 DT 14 . . D 2 8.969 64.811 -26.435 1.00 33.24 ? C7 DT -1 F 1 +ATOM 1201 C C6 DT 14 . . D 2 10.180 65.338 -24.359 1.00 39.53 ? C6 DT -1 F 1 +ATOM 1202 P P DT 15 . . D 2 10.635 63.887 -18.449 1.00 33.08 ? P DT -2 F 1 +ATOM 1203 O OP1 DT 15 . . D 2 11.466 63.544 -17.268 1.00 35.7 ? OP1 DT -2 F 1 +ATOM 1204 O OP2 DT 15 . . D 2 9.448 63.059 -18.777 1.00 22.39 ? OP2 DT -2 F 1 +ATOM 1205 O "O5'" DT 15 . . D 2 10.324 65.440 -18.320 1.00 39.52 ? "O5'" DT -2 F 1 +ATOM 1206 C "C5'" DT 15 . . D 2 11.407 66.369 -18.330 1.00 37.29 ? "C5'" DT -2 F 1 +ATOM 1207 C "C4'" DT 15 . . D 2 10.894 67.779 -18.480 1.00 38.91 ? "C4'" DT -2 F 1 +ATOM 1208 O "O4'" DT 15 . . D 2 10.477 68.026 -19.835 1.00 37.89 ? "O4'" DT -2 F 1 +ATOM 1209 C "C3'" DT 15 . . D 2 9.705 68.158 -17.602 1.00 35.31 ? "C3'" DT -2 F 1 +ATOM 1210 O "O3'" DT 15 . . D 2 10.103 69.353 -16.945 1.00 37.19 ? "O3'" DT -2 F 1 +ATOM 1211 C "C2'" DT 15 . . D 2 8.556 68.387 -18.593 1.00 32.7 ? "C2'" DT -2 F 1 +ATOM 1212 C "C1'" DT 15 . . D 2 9.260 68.790 -19.870 1.00 29.02 ? "C1'" DT -2 F 1 +ATOM 1213 N N1 DT 15 . . D 2 8.613 68.484 -21.196 1.00 33.93 ? N1 DT -2 F 1 +ATOM 1214 C C2 DT 15 . . D 2 8.593 69.436 -22.228 1.00 26.19 ? C2 DT -2 F 1 +ATOM 1215 O O2 DT 15 . . D 2 9.008 70.557 -22.115 1.00 19.7 ? O2 DT -2 F 1 +ATOM 1216 N N3 DT 15 . . D 2 8.041 68.994 -23.399 1.00 28.92 ? N3 DT -2 F 1 +ATOM 1217 C C4 DT 15 . . D 2 7.494 67.749 -23.642 1.00 35.65 ? C4 DT -2 F 1 +ATOM 1218 O O4 DT 15 . . D 2 7.040 67.503 -24.734 1.00 36.13 ? O4 DT -2 F 1 +ATOM 1219 C C5 DT 15 . . D 2 7.518 66.826 -22.522 1.00 39.74 ? C5 DT -2 F 1 +ATOM 1220 C C7 DT 15 . . D 2 6.937 65.459 -22.670 1.00 41.57 ? C7 DT -2 F 1 +ATOM 1221 C C6 DT 15 . . D 2 8.067 67.234 -21.381 1.00 40.75 ? C6 DT -2 F 1 +ATOM 1222 P P DC 16 . . D 2 9.409 69.808 -15.583 1.00 39.34 ? P DC -3 F 1 +ATOM 1223 O OP1 DC 16 . . D 2 10.513 70.651 -15.056 1.00 35.77 ? OP1 DC -3 F 1 +ATOM 1224 O OP2 DC 16 . . D 2 8.834 68.721 -14.741 1.00 37.47 ? OP2 DC -3 F 1 +ATOM 1225 O "O5'" DC 16 . . D 2 8.205 70.704 -16.113 1.00 41.02 ? "O5'" DC -3 F 1 +ATOM 1226 C "C5'" DC 16 . . D 2 8.456 71.848 -16.926 1.00 42.31 ? "C5'" DC -3 F 1 +ATOM 1227 C "C4'" DC 16 . . D 2 7.165 72.565 -17.188 1.00 40.83 ? "C4'" DC -3 F 1 +ATOM 1228 O "O4'" DC 16 . . D 2 6.615 71.941 -18.376 1.00 45.26 ? "O4'" DC -3 F 1 +ATOM 1229 C "C3'" DC 16 . . D 2 6.163 72.309 -16.059 1.00 44.39 ? "C3'" DC -3 F 1 +ATOM 1230 O "O3'" DC 16 . . D 2 5.201 73.377 -15.861 1.00 50.43 ? "O3'" DC -3 F 1 +ATOM 1231 C "C2'" DC 16 . . D 2 5.394 71.111 -16.600 1.00 48.55 ? "C2'" DC -3 F 1 +ATOM 1232 C "C1'" DC 16 . . D 2 5.306 71.474 -18.084 1.00 44.37 ? "C1'" DC -3 F 1 +ATOM 1233 N N1 DC 16 . . D 2 4.941 70.361 -19.023 1.00 45.6 ? N1 DC -3 F 1 +ATOM 1234 C C2 DC 16 . . D 2 4.582 70.630 -20.387 1.00 40.09 ? C2 DC -3 F 1 +ATOM 1235 O O2 DC 16 . . D 2 4.556 71.800 -20.817 1.00 41.42 ? O2 DC -3 F 1 +ATOM 1236 N N3 DC 16 . . D 2 4.266 69.590 -21.190 1.00 40.43 ? N3 DC -3 F 1 +ATOM 1237 C C4 DC 16 . . D 2 4.284 68.349 -20.717 1.00 36.71 ? C4 DC -3 F 1 +ATOM 1238 N N4 DC 16 . . D 2 3.971 67.366 -21.539 1.00 43.96 ? N4 DC -3 F 1 +ATOM 1239 C C5 DC 16 . . D 2 4.626 68.055 -19.382 1.00 42.37 ? C5 DC -3 F 1 +ATOM 1240 C C6 DC 16 . . D 2 4.945 69.071 -18.575 1.00 45.7 ? C6 DC -3 F 1 +ATOM 1241 P P DG 17 . . D 2 5.671 74.894 -15.672 1.00 43.19 ? P DG -4 F 1 +ATOM 1242 O OP1 DG 17 . . D 2 6.963 75.115 -16.350 1.00 40.81 ? OP1 DG -4 F 1 +ATOM 1243 O OP2 DG 17 . . D 2 5.511 75.198 -14.236 1.00 39.21 ? OP2 DG -4 F 1 +ATOM 1244 O "O5'" DG 17 . . D 2 4.607 75.755 -16.475 1.00 38.47 ? "O5'" DG -4 F 1 +ATOM 1245 C "C5'" DG 17 . . D 2 5.040 76.541 -17.577 1.00 43.61 ? "C5'" DG -4 F 1 +ATOM 1246 C "C4'" DG 17 . . D 2 3.874 76.885 -18.474 1.00 38.71 ? "C4'" DG -4 F 1 +ATOM 1247 O "O4'" DG 17 . . D 2 3.402 75.699 -19.149 1.00 44.69 ? "O4'" DG -4 F 1 +ATOM 1248 C "C3'" DG 17 . . D 2 2.662 77.369 -17.700 1.00 37.32 ? "C3'" DG -4 F 1 +ATOM 1249 O "O3'" DG 17 . . D 2 1.877 77.912 -18.773 1.00 24.26 ? "O3'" DG -4 F 1 +ATOM 1250 C "C2'" DG 17 . . D 2 2.082 76.041 -17.251 1.00 37.46 ? "C2'" DG -4 F 1 +ATOM 1251 C "C1'" DG 17 . . D 2 2.116 75.375 -18.604 1.00 41.04 ? "C1'" DG -4 F 1 +ATOM 1252 N N9 DG 17 . . D 2 1.925 73.926 -18.685 1.00 40.79 ? N9 DG -4 F 1 +ATOM 1253 C C8 DG 17 . . D 2 2.100 72.965 -17.731 1.00 36.59 ? C8 DG -4 F 1 +ATOM 1254 N N7 DG 17 . . D 2 1.858 71.766 -18.176 1.00 36.33 ? N7 DG -4 F 1 +ATOM 1255 C C5 DG 17 . . D 2 1.494 71.953 -19.497 1.00 41.94 ? C5 DG -4 F 1 +ATOM 1256 C C6 DG 17 . . D 2 1.145 71.023 -20.505 1.00 45.23 ? C6 DG -4 F 1 +ATOM 1257 O O6 DG 17 . . D 2 1.038 69.800 -20.420 1.00 51.56 ? O6 DG -4 F 1 +ATOM 1258 N N1 DG 17 . . D 2 0.898 71.652 -21.726 1.00 44.14 ? N1 DG -4 F 1 +ATOM 1259 C C2 DG 17 . . D 2 0.961 73.005 -21.946 1.00 44.21 ? C2 DG -4 F 1 +ATOM 1260 N N2 DG 17 . . D 2 0.703 73.449 -23.193 1.00 43.56 ? N2 DG -4 F 1 +ATOM 1261 N N3 DG 17 . . D 2 1.263 73.871 -21.012 1.00 48.86 ? N3 DG -4 F 1 +ATOM 1262 C C4 DG 17 . . D 2 1.523 73.279 -19.822 1.00 43.52 ? C4 DG -4 F 1 +ATOM 1263 N N PRO 9 . . E 3 2.133 51.592 15.835 1.00 51.36 ? N PRO 9 A 1 +ATOM 1264 C CA PRO 9 . . E 3 3.600 51.747 16.013 1.00 51.53 ? CA PRO 9 A 1 +ATOM 1265 C C PRO 9 . . E 3 3.942 53.171 16.474 1.00 47.65 ? C PRO 9 A 1 +ATOM 1266 O O PRO 9 . . E 3 3.141 54.090 16.286 1.00 45.67 ? O PRO 9 A 1 +ATOM 1267 C CB PRO 9 . . E 3 4.208 51.395 14.660 1.00 53.62 ? CB PRO 9 A 1 +ATOM 1268 C CG PRO 9 . . E 3 3.317 50.225 14.266 1.00 46.46 ? CG PRO 9 A 1 +ATOM 1269 C CD PRO 9 . . E 3 1.908 50.764 14.615 1.00 51.33 ? CD PRO 9 A 1 +ATOM 1270 N N THR 10 . . E 3 5.127 53.369 17.041 1.00 46.94 ? N THR 10 A 1 +ATOM 1271 C CA THR 10 . . E 3 5.474 54.683 17.538 1.00 45.64 ? CA THR 10 A 1 +ATOM 1272 C C THR 10 . . E 3 6.099 55.589 16.500 1.00 47.57 ? C THR 10 A 1 +ATOM 1273 O O THR 10 . . E 3 6.521 56.700 16.842 1.00 50.08 ? O THR 10 A 1 +ATOM 1274 C CB THR 10 . . E 3 6.426 54.574 18.733 1.00 44.04 ? CB THR 10 A 1 +ATOM 1275 O OG1 THR 10 . . E 3 7.592 53.820 18.382 1.00 49.75 ? OG1 THR 10 A 1 +ATOM 1276 C CG2 THR 10 . . E 3 5.694 53.904 19.886 1.00 50.67 ? CG2 THR 10 A 1 +ATOM 1277 N N LEU 11 . . E 3 6.175 55.148 15.243 1.00 46.46 ? N LEU 11 A 1 +ATOM 1278 C CA LEU 11 . . E 3 6.693 56.060 14.236 1.00 45.92 ? CA LEU 11 A 1 +ATOM 1279 C C LEU 11 . . E 3 5.674 57.172 14.210 1.00 48.19 ? C LEU 11 A 1 +ATOM 1280 O O LEU 11 . . E 3 6.018 58.334 14.108 1.00 53.63 ? O LEU 11 A 1 +ATOM 1281 C CB LEU 11 . . E 3 6.748 55.448 12.848 1.00 40.81 ? CB LEU 11 A 1 +ATOM 1282 C CG LEU 11 . . E 3 7.149 53.988 12.770 1.00 49.49 ? CG LEU 11 A 1 +ATOM 1283 C CD1 LEU 11 . . E 3 5.858 53.214 12.714 1.00 48.62 ? CD1 LEU 11 A 1 +ATOM 1284 C CD2 LEU 11 . . E 3 7.965 53.656 11.529 1.00 41.29 ? CD2 LEU 11 A 1 +ATOM 1285 N N GLU 12 . . E 3 4.400 56.798 14.329 1.00 50.85 ? N GLU 12 A 1 +ATOM 1286 C CA GLU 12 . . E 3 3.323 57.779 14.333 1.00 49.39 ? CA GLU 12 A 1 +ATOM 1287 C C GLU 12 . . E 3 3.464 58.617 15.594 1.00 48.42 ? C GLU 12 A 1 +ATOM 1288 O O GLU 12 . . E 3 3.225 59.827 15.559 1.00 49.37 ? O GLU 12 A 1 +ATOM 1289 C CB GLU 12 . . E 3 1.938 57.119 14.341 1.00 45.68 ? CB GLU 12 A 1 +ATOM 1290 C CG GLU 12 . . E 3 1.673 56.066 13.283 1.00 50.07 ? CG GLU 12 A 1 +ATOM 1291 C CD GLU 12 . . E 3 2.090 54.670 13.730 1.00 53.41 ? CD GLU 12 A 1 +ATOM 1292 O OE1 GLU 12 . . E 3 1.184 53.844 14.003 1.00 55 ? OE1 GLU 12 A 1 +ATOM 1293 O OE2 GLU 12 . . E 3 3.310 54.397 13.809 1.00 44.63 ? OE2 GLU 12 A 1 +ATOM 1294 N N TRP 13 . . E 3 3.839 57.968 16.704 1.00 45.38 ? N TRP 13 A 1 +ATOM 1295 C CA TRP 13 . . E 3 4.074 58.684 17.957 1.00 43.86 ? CA TRP 13 A 1 +ATOM 1296 C C TRP 13 . . E 3 5.007 59.848 17.597 1.00 45.13 ? C TRP 13 A 1 +ATOM 1297 O O TRP 13 . . E 3 4.818 61.022 17.981 1.00 39.27 ? O TRP 13 A 1 +ATOM 1298 C CB TRP 13 . . E 3 4.753 57.763 18.998 1.00 39.96 ? CB TRP 13 A 1 +ATOM 1299 C CG TRP 13 . . E 3 5.078 58.541 20.211 1.00 36.61 ? CG TRP 13 A 1 +ATOM 1300 C CD1 TRP 13 . . E 3 4.186 59.088 21.082 1.00 29.86 ? CD1 TRP 13 A 1 +ATOM 1301 C CD2 TRP 13 . . E 3 6.380 58.964 20.640 1.00 32.23 ? CD2 TRP 13 A 1 +ATOM 1302 N NE1 TRP 13 . . E 3 4.851 59.837 22.007 1.00 36.47 ? NE1 TRP 13 A 1 +ATOM 1303 C CE2 TRP 13 . . E 3 6.199 59.778 21.758 1.00 33.72 ? CE2 TRP 13 A 1 +ATOM 1304 C CE3 TRP 13 . . E 3 7.681 58.740 20.173 1.00 36.93 ? CE3 TRP 13 A 1 +ATOM 1305 C CZ2 TRP 13 . . E 3 7.274 60.372 22.430 1.00 38.16 ? CZ2 TRP 13 A 1 +ATOM 1306 C CZ3 TRP 13 . . E 3 8.750 59.329 20.837 1.00 34.21 ? CZ3 TRP 13 A 1 +ATOM 1307 C CH2 TRP 13 . . E 3 8.538 60.134 21.948 1.00 37.51 ? CH2 TRP 13 A 1 +ATOM 1308 N N PHE 14 . . E 3 6.008 59.469 16.811 1.00 45.34 ? N PHE 14 A 1 +ATOM 1309 C CA PHE 14 . . E 3 7.007 60.371 16.256 1.00 46.89 ? CA PHE 14 A 1 +ATOM 1310 C C PHE 14 . . E 3 6.349 61.489 15.381 1.00 43.87 ? C PHE 14 A 1 +ATOM 1311 O O PHE 14 . . E 3 6.315 62.645 15.809 1.00 42.96 ? O PHE 14 A 1 +ATOM 1312 C CB PHE 14 . . E 3 8.006 59.501 15.447 1.00 43.26 ? CB PHE 14 A 1 +ATOM 1313 C CG PHE 14 . . E 3 8.946 60.270 14.577 1.00 37.28 ? CG PHE 14 A 1 +ATOM 1314 C CD1 PHE 14 . . E 3 10.274 60.392 14.922 1.00 33.31 ? CD1 PHE 14 A 1 +ATOM 1315 C CD2 PHE 14 . . E 3 8.497 60.868 13.413 1.00 34.21 ? CD2 PHE 14 A 1 +ATOM 1316 C CE1 PHE 14 . . E 3 11.139 61.105 14.117 1.00 35.28 ? CE1 PHE 14 A 1 +ATOM 1317 C CE2 PHE 14 . . E 3 9.363 61.582 12.610 1.00 36.36 ? CE2 PHE 14 A 1 +ATOM 1318 C CZ PHE 14 . . E 3 10.688 61.701 12.967 1.00 28.58 ? CZ PHE 14 A 1 +ATOM 1319 N N LEU 15 . . E 3 5.818 61.161 14.197 1.00 36.46 ? N LEU 15 A 1 +ATOM 1320 C CA LEU 15 . . E 3 5.219 62.180 13.324 1.00 40.53 ? CA LEU 15 A 1 +ATOM 1321 C C LEU 15 . . E 3 4.239 63.082 14.101 1.00 39.5 ? C LEU 15 A 1 +ATOM 1322 O O LEU 15 . . E 3 4.209 64.303 13.927 1.00 35.01 ? O LEU 15 A 1 +ATOM 1323 C CB LEU 15 . . E 3 4.453 61.535 12.142 1.00 38.33 ? CB LEU 15 A 1 +ATOM 1324 C CG LEU 15 . . E 3 5.128 61.048 10.828 1.00 39.33 ? CG LEU 15 A 1 +ATOM 1325 C CD1 LEU 15 . . E 3 6.073 59.848 11.004 1.00 34.09 ? CD1 LEU 15 A 1 +ATOM 1326 C CD2 LEU 15 . . E 3 3.956 60.627 9.910 1.00 30 ? CD2 LEU 15 A 1 +ATOM 1327 N N SER 16 . . E 3 3.448 62.505 14.987 1.00 39.44 ? N SER 16 A 1 +ATOM 1328 C CA SER 16 . . E 3 2.518 63.328 15.727 1.00 41.31 ? CA SER 16 A 1 +ATOM 1329 C C SER 16 . . E 3 3.234 64.413 16.568 1.00 39.87 ? C SER 16 A 1 +ATOM 1330 O O SER 16 . . E 3 2.585 65.272 17.150 1.00 45.16 ? O SER 16 A 1 +ATOM 1331 C CB SER 16 . . E 3 1.662 62.395 16.601 1.00 46.58 ? CB SER 16 A 1 +ATOM 1332 O OG SER 16 . . E 3 2.422 61.481 17.397 1.00 49.64 ? OG SER 16 A 1 +ATOM 1333 N N HIS 17 . . E 3 4.567 64.357 16.612 1.00 39.83 ? N HIS 17 A 1 +ATOM 1334 C CA HIS 17 . . E 3 5.494 65.281 17.319 1.00 40.97 ? CA HIS 17 A 1 +ATOM 1335 C C HIS 17 . . E 3 6.246 66.135 16.299 1.00 41.79 ? C HIS 17 A 1 +ATOM 1336 O O HIS 17 . . E 3 6.967 67.087 16.627 1.00 35.53 ? O HIS 17 A 1 +ATOM 1337 C CB HIS 17 . . E 3 6.595 64.549 18.101 1.00 50.69 ? CB HIS 17 A 1 +ATOM 1338 C CG HIS 17 . . E 3 6.293 64.266 19.539 1.00 48.46 ? CG HIS 17 A 1 +ATOM 1339 N ND1 HIS 17 . . E 3 6.935 64.927 20.565 1.00 44.43 ? ND1 HIS 17 A 1 +ATOM 1340 C CD2 HIS 17 . . E 3 5.466 63.368 20.124 1.00 43.77 ? CD2 HIS 17 A 1 +ATOM 1341 C CE1 HIS 17 . . E 3 6.520 64.445 21.724 1.00 51.84 ? CE1 HIS 17 A 1 +ATOM 1342 N NE2 HIS 17 . . E 3 5.630 63.498 21.484 1.00 48.72 ? NE2 HIS 17 A 1 +ATOM 1343 N N CYS 18 . . E 3 6.161 65.677 15.068 1.00 40.25 ? N CYS 18 A 1 +ATOM 1344 C CA CYS 18 . . E 3 6.811 66.297 13.953 1.00 42.07 ? CA CYS 18 A 1 +ATOM 1345 C C CYS 18 . . E 3 5.923 67.302 13.279 1.00 45.28 ? C CYS 18 A 1 +ATOM 1346 O O CYS 18 . . E 3 4.756 67.489 13.635 1.00 47.68 ? O CYS 18 A 1 +ATOM 1347 C CB CYS 18 . . E 3 7.204 65.250 12.944 1.00 35.09 ? CB CYS 18 A 1 +ATOM 1348 S SG CYS 18 . . E 3 8.937 65.027 12.939 1.00 43.22 ? SG CYS 18 A 1 +ATOM 1349 N N HIS 19 . . E 3 6.508 67.928 12.268 1.00 48.59 ? N HIS 19 A 1 +ATOM 1350 C CA HIS 19 . . E 3 5.824 68.896 11.447 1.00 48.73 ? CA HIS 19 A 1 +ATOM 1351 C C HIS 19 . . E 3 6.272 68.764 9.993 1.00 46.16 ? C HIS 19 A 1 +ATOM 1352 O O HIS 19 . . E 3 7.434 69.021 9.612 1.00 34.73 ? O HIS 19 A 1 +ATOM 1353 C CB HIS 19 . . E 3 6.095 70.312 11.978 1.00 50.3 ? CB HIS 19 A 1 +ATOM 1354 C CG HIS 19 . . E 3 7.468 70.517 12.543 1.00 53.51 ? CG HIS 19 A 1 +ATOM 1355 N ND1 HIS 19 . . E 3 8.552 70.886 11.773 1.00 55 ? ND1 HIS 19 A 1 +ATOM 1356 C CD2 HIS 19 . . E 3 7.919 70.438 13.819 1.00 50.77 ? CD2 HIS 19 A 1 +ATOM 1357 C CE1 HIS 19 . . E 3 9.611 71.032 12.556 1.00 52.85 ? CE1 HIS 19 A 1 +ATOM 1358 N NE2 HIS 19 . . E 3 9.254 70.765 13.798 1.00 48.71 ? NE2 HIS 19 A 1 +ATOM 1359 N N ILE 20 . . E 3 5.290 68.311 9.220 1.00 37.32 ? N ILE 20 A 1 +ATOM 1360 C CA ILE 20 . . E 3 5.394 68.061 7.795 1.00 39.29 ? CA ILE 20 A 1 +ATOM 1361 C C ILE 20 . . E 3 5.763 69.335 7.001 1.00 41.39 ? C ILE 20 A 1 +ATOM 1362 O O ILE 20 . . E 3 5.781 70.441 7.549 1.00 37.73 ? O ILE 20 A 1 +ATOM 1363 C CB ILE 20 . . E 3 4.026 67.474 7.300 1.00 34.82 ? CB ILE 20 A 1 +ATOM 1364 C CG1 ILE 20 . . E 3 3.897 66.043 7.802 1.00 31.81 ? CG1 ILE 20 A 1 +ATOM 1365 C CG2 ILE 20 . . E 3 3.923 67.486 5.809 1.00 30.47 ? CG2 ILE 20 A 1 +ATOM 1366 C CD1 ILE 20 . . E 3 3.842 65.955 9.295 1.00 34.02 ? CD1 ILE 20 A 1 +ATOM 1367 N N HIS 21 . . E 3 6.095 69.137 5.726 1.00 43.94 ? N HIS 21 A 1 +ATOM 1368 C CA HIS 21 . . E 3 6.392 70.178 4.740 1.00 46.4 ? CA HIS 21 A 1 +ATOM 1369 C C HIS 21 . . E 3 6.383 69.559 3.345 1.00 43.38 ? C HIS 21 A 1 +ATOM 1370 O O HIS 21 . . E 3 6.986 68.518 3.103 1.00 48.89 ? O HIS 21 A 1 +ATOM 1371 C CB HIS 21 . . E 3 7.764 70.824 4.993 1.00 41.6 ? CB HIS 21 A 1 +ATOM 1372 C CG HIS 21 . . E 3 7.742 71.921 6.017 1.00 47.02 ? CG HIS 21 A 1 +ATOM 1373 N ND1 HIS 21 . . E 3 6.572 72.492 6.475 1.00 55 ? ND1 HIS 21 A 1 +ATOM 1374 C CD2 HIS 21 . . E 3 8.746 72.571 6.650 1.00 51.14 ? CD2 HIS 21 A 1 +ATOM 1375 C CE1 HIS 21 . . E 3 6.854 73.448 7.342 1.00 53.19 ? CE1 HIS 21 A 1 +ATOM 1376 N NE2 HIS 21 . . E 3 8.167 73.515 7.467 1.00 55 ? NE2 HIS 21 A 1 +ATOM 1377 N N LYS 22 . . E 3 5.636 70.198 2.454 1.00 42.96 ? N LYS 22 A 1 +ATOM 1378 C CA LYS 22 . . E 3 5.471 69.786 1.065 1.00 41.6 ? CA LYS 22 A 1 +ATOM 1379 C C LYS 22 . . E 3 6.516 70.492 0.188 1.00 40.47 ? C LYS 22 A 1 +ATOM 1380 O O LYS 22 . . E 3 6.629 71.729 0.228 1.00 39.52 ? O LYS 22 A 1 +ATOM 1381 C CB LYS 22 . . E 3 4.061 70.155 0.609 1.00 45.46 ? CB LYS 22 A 1 +ATOM 1382 C CG LYS 22 . . E 3 3.714 69.847 -0.848 1.00 46.46 ? CG LYS 22 A 1 +ATOM 1383 C CD LYS 22 . . E 3 2.393 70.536 -1.238 1.00 45.44 ? CD LYS 22 A 1 +ATOM 1384 C CE LYS 22 . . E 3 2.526 72.064 -1.438 1.00 44.76 ? CE LYS 22 A 1 +ATOM 1385 N NZ LYS 22 . . E 3 1.169 72.693 -1.504 1.00 48.13 ? NZ LYS 22 A 1 +ATOM 1386 N N TYR 23 . . E 3 7.281 69.698 -0.566 1.00 32.15 ? N TYR 23 A 1 +ATOM 1387 C CA TYR 23 . . E 3 8.305 70.188 -1.475 1.00 26.93 ? CA TYR 23 A 1 +ATOM 1388 C C TYR 23 . . E 3 7.986 69.795 -2.898 1.00 29.4 ? C TYR 23 A 1 +ATOM 1389 O O TYR 23 . . E 3 7.261 68.849 -3.110 1.00 40.19 ? O TYR 23 A 1 +ATOM 1390 C CB TYR 23 . . E 3 9.636 69.600 -1.147 1.00 35.11 ? CB TYR 23 A 1 +ATOM 1391 C CG TYR 23 . . E 3 10.246 70.141 0.081 1.00 46.49 ? CG TYR 23 A 1 +ATOM 1392 C CD1 TYR 23 . . E 3 10.549 69.297 1.133 1.00 48.26 ? CD1 TYR 23 A 1 +ATOM 1393 C CD2 TYR 23 . . E 3 10.575 71.487 0.178 1.00 41.35 ? CD2 TYR 23 A 1 +ATOM 1394 C CE1 TYR 23 . . E 3 11.173 69.768 2.253 1.00 47.73 ? CE1 TYR 23 A 1 +ATOM 1395 C CE2 TYR 23 . . E 3 11.198 71.970 1.293 1.00 45.86 ? CE2 TYR 23 A 1 +ATOM 1396 C CZ TYR 23 . . E 3 11.499 71.100 2.328 1.00 45.09 ? CZ TYR 23 A 1 +ATOM 1397 O OH TYR 23 . . E 3 12.158 71.538 3.447 1.00 54.73 ? OH TYR 23 A 1 +ATOM 1398 N N PRO 24 . . E 3 8.519 70.505 -3.892 1.00 28.77 ? N PRO 24 A 1 +ATOM 1399 C CA PRO 24 . . E 3 8.359 70.105 -5.284 1.00 32.12 ? CA PRO 24 A 1 +ATOM 1400 C C PRO 24 . . E 3 9.661 69.524 -5.850 1.00 37.05 ? C PRO 24 A 1 +ATOM 1401 O O PRO 24 . . E 3 10.722 69.687 -5.251 1.00 35.29 ? O PRO 24 A 1 +ATOM 1402 C CB PRO 24 . . E 3 7.907 71.396 -5.955 1.00 29.14 ? CB PRO 24 A 1 +ATOM 1403 C CG PRO 24 . . E 3 7.927 72.443 -4.811 1.00 25.38 ? CG PRO 24 A 1 +ATOM 1404 C CD PRO 24 . . E 3 8.971 71.906 -3.896 1.00 34.82 ? CD PRO 24 A 1 +ATOM 1405 N N SER 25 . . E 3 9.580 68.888 -7.023 1.00 35.44 ? N SER 25 A 1 +ATOM 1406 C CA SER 25 . . E 3 10.746 68.289 -7.690 1.00 36.35 ? CA SER 25 A 1 +ATOM 1407 C C SER 25 . . E 3 11.931 69.226 -7.728 1.00 34.98 ? C SER 25 A 1 +ATOM 1408 O O SER 25 . . E 3 11.780 70.419 -7.594 1.00 40.3 ? O SER 25 A 1 +ATOM 1409 C CB SER 25 . . E 3 10.446 67.919 -9.149 1.00 36.05 ? CB SER 25 A 1 +ATOM 1410 O OG SER 25 . . E 3 9.524 66.849 -9.298 1.00 38.54 ? OG SER 25 A 1 +ATOM 1411 N N LYS 26 . . E 3 13.110 68.652 -7.898 1.00 38.91 ? N LYS 26 A 1 +ATOM 1412 C CA LYS 26 . . E 3 14.361 69.379 -8.066 1.00 43.4 ? CA LYS 26 A 1 +ATOM 1413 C C LYS 26 . . E 3 14.684 70.381 -6.960 1.00 42.65 ? C LYS 26 A 1 +ATOM 1414 O O LYS 26 . . E 3 15.727 71.030 -7.032 1.00 44.39 ? O LYS 26 A 1 +ATOM 1415 C CB LYS 26 . . E 3 14.326 70.102 -9.419 1.00 48.32 ? CB LYS 26 A 1 +ATOM 1416 C CG LYS 26 . . E 3 13.773 69.185 -10.538 1.00 55 ? CG LYS 26 A 1 +ATOM 1417 C CD LYS 26 . . E 3 13.659 69.842 -11.912 1.00 55 ? CD LYS 26 A 1 +ATOM 1418 C CE LYS 26 . . E 3 12.983 68.907 -12.927 1.00 52.54 ? CE LYS 26 A 1 +ATOM 1419 N NZ LYS 26 . . E 3 11.515 68.689 -12.681 1.00 50.27 ? NZ LYS 26 A 1 +ATOM 1420 N N SER 27 . . E 3 13.842 70.518 -5.938 1.00 44.08 ? N SER 27 A 1 +ATOM 1421 C CA SER 27 . . E 3 14.147 71.491 -4.890 1.00 45.04 ? CA SER 27 A 1 +ATOM 1422 C C SER 27 . . E 3 15.132 70.934 -3.855 1.00 42.88 ? C SER 27 A 1 +ATOM 1423 O O SER 27 . . E 3 14.901 69.883 -3.271 1.00 48.86 ? O SER 27 A 1 +ATOM 1424 C CB SER 27 . . E 3 12.841 71.941 -4.193 1.00 48.09 ? CB SER 27 A 1 +ATOM 1425 O OG SER 27 . . E 3 12.187 70.914 -3.474 1.00 50.03 ? OG SER 27 A 1 +ATOM 1426 N N THR 28 . . E 3 16.234 71.652 -3.646 1.00 38.52 ? N THR 28 A 1 +ATOM 1427 C CA THR 28 . . E 3 17.302 71.277 -2.717 1.00 33.94 ? CA THR 28 A 1 +ATOM 1428 C C THR 28 . . E 3 16.951 71.447 -1.231 1.00 33.13 ? C THR 28 A 1 +ATOM 1429 O O THR 28 . . E 3 17.212 72.513 -0.654 1.00 25.29 ? O THR 28 A 1 +ATOM 1430 C CB THR 28 . . E 3 18.520 72.094 -3.033 1.00 24.84 ? CB THR 28 A 1 +ATOM 1431 O OG1 THR 28 . . E 3 18.094 73.307 -3.655 1.00 25.04 ? OG1 THR 28 A 1 +ATOM 1432 C CG2 THR 28 . . E 3 19.459 71.330 -3.988 1.00 36.26 ? CG2 THR 28 A 1 +ATOM 1433 N N LEU 29 . . E 3 16.406 70.376 -0.637 1.00 19.29 ? N LEU 29 A 1 +ATOM 1434 C CA LEU 29 . . E 3 15.966 70.320 0.747 1.00 13.31 ? CA LEU 29 A 1 +ATOM 1435 C C LEU 29 . . E 3 17.042 70.645 1.806 1.00 14.48 ? C LEU 29 A 1 +ATOM 1436 O O LEU 29 . . E 3 16.647 71.213 2.819 1.00 17.2 ? O LEU 29 A 1 +ATOM 1437 C CB LEU 29 . . E 3 15.390 68.945 1.007 1.00 10.9 ? CB LEU 29 A 1 +ATOM 1438 C CG LEU 29 . . E 3 14.463 68.503 -0.145 1.00 15.99 ? CG LEU 29 A 1 +ATOM 1439 C CD1 LEU 29 . . E 3 13.659 67.337 0.302 1.00 16.93 ? CD1 LEU 29 A 1 +ATOM 1440 C CD2 LEU 29 . . E 3 13.484 69.552 -0.501 1.00 21.7 ? CD2 LEU 29 A 1 +ATOM 1441 N N ILE 30 . . E 3 18.350 70.363 1.580 1.00 6.4 ? N ILE 30 A 1 +ATOM 1442 C CA ILE 30 . . E 3 19.481 70.651 2.529 1.00 6 ? CA ILE 30 A 1 +ATOM 1443 C C ILE 30 . . E 3 20.685 71.177 1.727 1.00 7.34 ? C ILE 30 A 1 +ATOM 1444 O O ILE 30 . . E 3 20.682 70.918 0.536 1.00 20.38 ? O ILE 30 A 1 +ATOM 1445 C CB ILE 30 . . E 3 19.889 69.335 3.292 1.00 7.78 ? CB ILE 30 A 1 +ATOM 1446 C CG1 ILE 30 . . E 3 18.765 68.949 4.218 1.00 6 ? CG1 ILE 30 A 1 +ATOM 1447 C CG2 ILE 30 . . E 3 21.148 69.512 4.092 1.00 6 ? CG2 ILE 30 A 1 +ATOM 1448 C CD1 ILE 30 . . E 3 18.970 67.594 4.806 1.00 18.06 ? CD1 ILE 30 A 1 +ATOM 1449 N N HIS 31 . . E 3 21.712 71.863 2.261 1.00 6 ? N HIS 31 A 1 +ATOM 1450 C CA HIS 31 . . E 3 22.828 72.336 1.367 1.00 6 ? CA HIS 31 A 1 +ATOM 1451 C C HIS 31 . . E 3 24.172 72.194 2.035 1.00 7.49 ? C HIS 31 A 1 +ATOM 1452 O O HIS 31 . . E 3 24.260 72.538 3.182 1.00 26.83 ? O HIS 31 A 1 +ATOM 1453 C CB HIS 31 . . E 3 22.624 73.788 1.009 1.00 23.36 ? CB HIS 31 A 1 +ATOM 1454 C CG HIS 31 . . E 3 21.309 74.073 0.361 1.00 28.04 ? CG HIS 31 A 1 +ATOM 1455 N ND1 HIS 31 . . E 3 20.107 73.878 1.006 1.00 29.13 ? ND1 HIS 31 A 1 +ATOM 1456 C CD2 HIS 31 . . E 3 21.007 74.543 -0.871 1.00 24.71 ? CD2 HIS 31 A 1 +ATOM 1457 C CE1 HIS 31 . . E 3 19.116 74.215 0.199 1.00 32.34 ? CE1 HIS 31 A 1 +ATOM 1458 N NE2 HIS 31 . . E 3 19.637 74.621 -0.947 1.00 33.23 ? NE2 HIS 31 A 1 +ATOM 1459 N N GLN 32 . . E 3 25.231 71.811 1.329 1.00 17.63 ? N GLN 32 A 1 +ATOM 1460 C CA GLN 32 . . E 3 26.532 71.427 1.956 1.00 25.34 ? CA GLN 32 A 1 +ATOM 1461 C C GLN 32 . . E 3 27.324 72.622 2.574 1.00 33.05 ? C GLN 32 A 1 +ATOM 1462 O O GLN 32 . . E 3 28.359 73.073 2.017 1.00 36.48 ? O GLN 32 A 1 +ATOM 1463 C CB GLN 32 . . E 3 27.485 70.752 0.948 1.00 22.58 ? CB GLN 32 A 1 +ATOM 1464 C CG GLN 32 . . E 3 28.828 70.391 1.590 1.00 19.58 ? CG GLN 32 A 1 +ATOM 1465 C CD GLN 32 . . E 3 29.864 69.858 0.642 1.00 33.4 ? CD GLN 32 A 1 +ATOM 1466 O OE1 GLN 32 . . E 3 29.568 69.203 -0.371 1.00 30.23 ? OE1 GLN 32 A 1 +ATOM 1467 N NE2 GLN 32 . . E 3 31.118 70.132 0.973 1.00 34.65 ? NE2 GLN 32 A 1 +ATOM 1468 N N GLY 33 . . E 3 26.924 73.052 3.775 1.00 43.34 ? N GLY 33 A 1 +ATOM 1469 C CA GLY 33 . . E 3 27.665 74.087 4.511 1.00 40.74 ? CA GLY 33 A 1 +ATOM 1470 C C GLY 33 . . E 3 26.950 74.577 5.773 1.00 36.94 ? C GLY 33 A 1 +ATOM 1471 O O GLY 33 . . E 3 27.582 74.917 6.789 1.00 38.11 ? O GLY 33 A 1 +ATOM 1472 N N GLU 34 . . E 3 25.622 74.583 5.685 1.00 30.01 ? N GLU 34 A 1 +ATOM 1473 C CA GLU 34 . . E 3 24.758 75.094 6.719 1.00 30.03 ? CA GLU 34 A 1 +ATOM 1474 C C GLU 34 . . E 3 24.793 74.245 7.942 1.00 35.11 ? C GLU 34 A 1 +ATOM 1475 O O GLU 34 . . E 3 25.306 73.137 7.881 1.00 39.63 ? O GLU 34 A 1 +ATOM 1476 C CB GLU 34 . . E 3 23.369 75.199 6.143 1.00 28.77 ? CB GLU 34 A 1 +ATOM 1477 C CG GLU 34 . . E 3 23.443 76.116 4.917 1.00 36.46 ? CG GLU 34 A 1 +ATOM 1478 C CD GLU 34 . . E 3 22.106 76.575 4.396 1.00 42.77 ? CD GLU 34 A 1 +ATOM 1479 O OE1 GLU 34 . . E 3 22.088 77.175 3.295 1.00 37.62 ? OE1 GLU 34 A 1 +ATOM 1480 O OE2 GLU 34 . . E 3 21.089 76.341 5.091 1.00 43.2 ? OE2 GLU 34 A 1 +ATOM 1481 N N LYS 35 . . E 3 24.295 74.786 9.056 1.00 26.7 ? N LYS 35 A 1 +ATOM 1482 C CA LYS 35 . . E 3 24.335 74.085 10.336 1.00 26.96 ? CA LYS 35 A 1 +ATOM 1483 C C LYS 35 . . E 3 23.241 73.049 10.512 1.00 32.69 ? C LYS 35 A 1 +ATOM 1484 O O LYS 35 . . E 3 22.077 73.331 10.240 1.00 37 ? O LYS 35 A 1 +ATOM 1485 C CB LYS 35 . . E 3 24.244 75.089 11.485 1.00 42.35 ? CB LYS 35 A 1 +ATOM 1486 C CG LYS 35 . . E 3 25.571 75.562 12.101 1.00 42.72 ? CG LYS 35 A 1 +ATOM 1487 C CD LYS 35 . . E 3 26.516 76.176 11.096 1.00 46.67 ? CD LYS 35 A 1 +ATOM 1488 C CE LYS 35 . . E 3 27.373 75.155 10.344 1.00 52.49 ? CE LYS 35 A 1 +ATOM 1489 N NZ LYS 35 . . E 3 28.418 74.537 11.250 1.00 55 ? NZ LYS 35 A 1 +ATOM 1490 N N ALA 36 . . E 3 23.628 71.851 10.964 1.00 33.84 ? N ALA 36 A 1 +ATOM 1491 C CA ALA 36 . . E 3 22.678 70.757 11.186 1.00 27.47 ? CA ALA 36 A 1 +ATOM 1492 C C ALA 36 . . E 3 22.014 70.968 12.555 1.00 24.01 ? C ALA 36 A 1 +ATOM 1493 O O ALA 36 . . E 3 22.718 71.151 13.551 1.00 6.55 ? O ALA 36 A 1 +ATOM 1494 C CB ALA 36 . . E 3 23.432 69.445 11.131 1.00 6 ? CB ALA 36 A 1 +ATOM 1495 N N GLU 37 . . E 3 20.676 70.898 12.601 1.00 24.57 ? N GLU 37 A 1 +ATOM 1496 C CA GLU 37 . . E 3 19.877 71.172 13.806 1.00 27.42 ? CA GLU 37 A 1 +ATOM 1497 C C GLU 37 . . E 3 18.461 70.570 13.745 1.00 31.32 ? C GLU 37 A 1 +ATOM 1498 O O GLU 37 . . E 3 17.750 70.582 14.751 1.00 37 ? O GLU 37 A 1 +ATOM 1499 C CB GLU 37 . . E 3 19.762 72.674 13.982 1.00 32.59 ? CB GLU 37 A 1 +ATOM 1500 C CG GLU 37 . . E 3 18.775 73.254 12.954 1.00 36.79 ? CG GLU 37 A 1 +ATOM 1501 C CD GLU 37 . . E 3 18.909 72.639 11.550 1.00 34.96 ? CD GLU 37 A 1 +ATOM 1502 O OE1 GLU 37 . . E 3 20.009 72.580 10.957 1.00 34.45 ? OE1 GLU 37 A 1 +ATOM 1503 O OE2 GLU 37 . . E 3 17.891 72.185 11.022 1.00 34.02 ? OE2 GLU 37 A 1 +ATOM 1504 N N THR 38 . . E 3 18.061 70.099 12.561 1.00 31.87 ? N THR 38 A 1 +ATOM 1505 C CA THR 38 . . E 3 16.763 69.450 12.254 1.00 27.46 ? CA THR 38 A 1 +ATOM 1506 C C THR 38 . . E 3 17.103 68.080 11.662 1.00 21.46 ? C THR 38 A 1 +ATOM 1507 O O THR 38 . . E 3 18.174 67.900 11.109 1.00 20.91 ? O THR 38 A 1 +ATOM 1508 C CB THR 38 . . E 3 15.916 70.235 11.170 1.00 33.31 ? CB THR 38 A 1 +ATOM 1509 O OG1 THR 38 . . E 3 15.691 71.560 11.632 1.00 36.18 ? OG1 THR 38 A 1 +ATOM 1510 C CG2 THR 38 . . E 3 14.556 69.610 10.933 1.00 39.15 ? CG2 THR 38 A 1 +ATOM 1511 N N LEU 39 . . E 3 16.175 67.149 11.736 1.00 14.76 ? N LEU 39 A 1 +ATOM 1512 C CA LEU 39 . . E 3 16.364 65.794 11.292 1.00 18.37 ? CA LEU 39 A 1 +ATOM 1513 C C LEU 39 . . E 3 15.127 65.494 10.543 1.00 23.98 ? C LEU 39 A 1 +ATOM 1514 O O LEU 39 . . E 3 14.094 65.347 11.161 1.00 30.72 ? O LEU 39 A 1 +ATOM 1515 C CB LEU 39 . . E 3 16.504 64.852 12.500 1.00 24.33 ? CB LEU 39 A 1 +ATOM 1516 C CG LEU 39 . . E 3 16.183 63.373 12.289 1.00 27.54 ? CG LEU 39 A 1 +ATOM 1517 C CD1 LEU 39 . . E 3 17.306 62.675 11.568 1.00 32.63 ? CD1 LEU 39 A 1 +ATOM 1518 C CD2 LEU 39 . . E 3 15.996 62.735 13.609 1.00 30.74 ? CD2 LEU 39 A 1 +ATOM 1519 N N TYR 40 . . E 3 15.208 65.437 9.218 1.00 26.1 ? N TYR 40 A 1 +ATOM 1520 C CA TYR 40 . . E 3 14.026 65.199 8.385 1.00 26.88 ? CA TYR 40 A 1 +ATOM 1521 C C TYR 40 . . E 3 13.616 63.740 8.387 1.00 25.83 ? C TYR 40 A 1 +ATOM 1522 O O TYR 40 . . E 3 14.320 62.856 8.866 1.00 35.53 ? O TYR 40 A 1 +ATOM 1523 C CB TYR 40 . . E 3 14.307 65.668 6.927 1.00 25.89 ? CB TYR 40 A 1 +ATOM 1524 C CG TYR 40 . . E 3 14.768 67.120 6.856 1.00 31.74 ? CG TYR 40 A 1 +ATOM 1525 C CD1 TYR 40 . . E 3 16.084 67.444 7.176 1.00 33.19 ? CD1 TYR 40 A 1 +ATOM 1526 C CD2 TYR 40 . . E 3 13.894 68.166 6.501 1.00 23.12 ? CD2 TYR 40 A 1 +ATOM 1527 C CE1 TYR 40 . . E 3 16.543 68.754 7.157 1.00 40.13 ? CE1 TYR 40 A 1 +ATOM 1528 C CE2 TYR 40 . . E 3 14.347 69.497 6.481 1.00 30.05 ? CE2 TYR 40 A 1 +ATOM 1529 C CZ TYR 40 . . E 3 15.688 69.784 6.814 1.00 39.57 ? CZ TYR 40 A 1 +ATOM 1530 O OH TYR 40 . . E 3 16.232 71.069 6.805 1.00 43.94 ? OH TYR 40 A 1 +ATOM 1531 N N TYR 41 . . E 3 12.473 63.512 7.783 1.00 18.85 ? N TYR 41 A 1 +ATOM 1532 C CA TYR 41 . . E 3 11.884 62.195 7.647 1.00 17.23 ? CA TYR 41 A 1 +ATOM 1533 C C TYR 41 . . E 3 11.000 62.260 6.388 1.00 20.33 ? C TYR 41 A 1 +ATOM 1534 O O TYR 41 . . E 3 10.108 63.108 6.332 1.00 29.73 ? O TYR 41 A 1 +ATOM 1535 C CB TYR 41 . . E 3 11.053 61.899 8.885 1.00 22.54 ? CB TYR 41 A 1 +ATOM 1536 C CG TYR 41 . . E 3 10.404 60.566 8.775 1.00 23.25 ? CG TYR 41 A 1 +ATOM 1537 C CD1 TYR 41 . . E 3 9.041 60.461 8.544 1.00 30.43 ? CD1 TYR 41 A 1 +ATOM 1538 C CD2 TYR 41 . . E 3 11.149 59.405 8.846 1.00 28.35 ? CD2 TYR 41 A 1 +ATOM 1539 C CE1 TYR 41 . . E 3 8.448 59.246 8.383 1.00 28.16 ? CE1 TYR 41 A 1 +ATOM 1540 C CE2 TYR 41 . . E 3 10.558 58.182 8.685 1.00 26.29 ? CE2 TYR 41 A 1 +ATOM 1541 C CZ TYR 41 . . E 3 9.214 58.115 8.451 1.00 26.78 ? CZ TYR 41 A 1 +ATOM 1542 O OH TYR 41 . . E 3 8.613 56.899 8.245 1.00 40.04 ? OH TYR 41 A 1 +ATOM 1543 N N ILE 42 . . E 3 11.223 61.384 5.407 1.00 25.22 ? N ILE 42 A 1 +ATOM 1544 C CA ILE 42 . . E 3 10.508 61.418 4.113 1.00 29.55 ? CA ILE 42 A 1 +ATOM 1545 C C ILE 42 . . E 3 9.097 60.766 4.072 1.00 30.5 ? C ILE 42 A 1 +ATOM 1546 O O ILE 42 . . E 3 8.937 59.570 3.787 1.00 33.7 ? O ILE 42 A 1 +ATOM 1547 C CB ILE 42 . . E 3 11.399 60.756 3.008 1.00 25.15 ? CB ILE 42 A 1 +ATOM 1548 C CG1 ILE 42 . . E 3 12.791 61.393 2.982 1.00 27.91 ? CG1 ILE 42 A 1 +ATOM 1549 C CG2 ILE 42 . . E 3 10.815 61.014 1.643 1.00 33.96 ? CG2 ILE 42 A 1 +ATOM 1550 C CD1 ILE 42 . . E 3 13.620 60.983 1.766 1.00 21.39 ? CD1 ILE 42 A 1 +ATOM 1551 N N VAL 43 . . E 3 8.067 61.573 4.305 1.00 25.63 ? N VAL 43 A 1 +ATOM 1552 C CA VAL 43 . . E 3 6.711 61.072 4.319 1.00 24.7 ? CA VAL 43 A 1 +ATOM 1553 C C VAL 43 . . E 3 6.400 60.453 2.991 1.00 26.36 ? C VAL 43 A 1 +ATOM 1554 O O VAL 43 . . E 3 6.246 59.249 2.908 1.00 30.84 ? O VAL 43 A 1 +ATOM 1555 C CB VAL 43 . . E 3 5.727 62.168 4.555 1.00 25.96 ? CB VAL 43 A 1 +ATOM 1556 C CG1 VAL 43 . . E 3 4.342 61.560 4.745 1.00 31.89 ? CG1 VAL 43 A 1 +ATOM 1557 C CG2 VAL 43 . . E 3 6.151 62.972 5.763 1.00 37.01 ? CG2 VAL 43 A 1 +ATOM 1558 N N LYS 44 . . E 3 6.334 61.276 1.948 1.00 30.92 ? N LYS 44 A 1 +ATOM 1559 C CA LYS 44 . . E 3 6.056 60.831 0.574 1.00 27.91 ? CA LYS 44 A 1 +ATOM 1560 C C LYS 44 . . E 3 7.105 61.394 -0.353 1.00 31.55 ? C LYS 44 A 1 +ATOM 1561 O O LYS 44 . . E 3 7.423 62.577 -0.232 1.00 37.24 ? O LYS 44 A 1 +ATOM 1562 C CB LYS 44 . . E 3 4.689 61.324 0.116 1.00 33.1 ? CB LYS 44 A 1 +ATOM 1563 C CG LYS 44 . . E 3 4.479 61.470 -1.403 1.00 39.56 ? CG LYS 44 A 1 +ATOM 1564 C CD LYS 44 . . E 3 3.076 62.049 -1.709 1.00 43.2 ? CD LYS 44 A 1 +ATOM 1565 C CE LYS 44 . . E 3 2.888 63.449 -1.052 1.00 51.21 ? CE LYS 44 A 1 +ATOM 1566 N NZ LYS 44 . . E 3 1.512 64.075 -1.019 1.00 40.62 ? NZ LYS 44 A 1 +ATOM 1567 N N GLY 45 . . E 3 7.669 60.545 -1.225 1.00 33.47 ? N GLY 45 A 1 +ATOM 1568 C CA GLY 45 . . E 3 8.641 60.985 -2.223 1.00 33.84 ? CA GLY 45 A 1 +ATOM 1569 C C GLY 45 . . E 3 10.026 60.354 -2.156 1.00 29.69 ? C GLY 45 A 1 +ATOM 1570 O O GLY 45 . . E 3 10.291 59.471 -1.346 1.00 32.11 ? O GLY 45 A 1 +ATOM 1571 N N SER 46 . . E 3 10.899 60.826 -3.043 1.00 16.92 ? N SER 46 A 1 +ATOM 1572 C CA SER 46 . . E 3 12.294 60.422 -3.136 1.00 17.1 ? CA SER 46 A 1 +ATOM 1573 C C SER 46 . . E 3 13.149 61.689 -3.264 1.00 15.96 ? C SER 46 A 1 +ATOM 1574 O O SER 46 . . E 3 12.738 62.687 -3.893 1.00 20.03 ? O SER 46 A 1 +ATOM 1575 C CB SER 46 . . E 3 12.548 59.564 -4.373 1.00 21.99 ? CB SER 46 A 1 +ATOM 1576 O OG SER 46 . . E 3 11.518 58.611 -4.519 1.00 36 ? OG SER 46 A 1 +ATOM 1577 N N VAL 47 . . E 3 14.357 61.602 -2.742 1.00 7.03 ? N VAL 47 A 1 +ATOM 1578 C CA VAL 47 . . E 3 15.281 62.700 -2.706 1.00 6 ? CA VAL 47 A 1 +ATOM 1579 C C VAL 47 . . E 3 16.665 62.189 -3.107 1.00 7.63 ? C VAL 47 A 1 +ATOM 1580 O O VAL 47 . . E 3 16.897 60.989 -3.058 1.00 23.7 ? O VAL 47 A 1 +ATOM 1581 C CB VAL 47 . . E 3 15.257 63.259 -1.282 1.00 17.01 ? CB VAL 47 A 1 +ATOM 1582 C CG1 VAL 47 . . E 3 16.310 62.573 -0.442 1.00 18.43 ? CG1 VAL 47 A 1 +ATOM 1583 C CG2 VAL 47 . . E 3 15.422 64.734 -1.334 1.00 27.34 ? CG2 VAL 47 A 1 +ATOM 1584 N N ALA 48 . . E 3 17.598 63.039 -3.509 1.00 6.41 ? N ALA 48 A 1 +ATOM 1585 C CA ALA 48 . . E 3 18.915 62.499 -3.868 1.00 7.21 ? CA ALA 48 A 1 +ATOM 1586 C C ALA 48 . . E 3 20.034 63.166 -3.057 1.00 7.1 ? C ALA 48 A 1 +ATOM 1587 O O ALA 48 . . E 3 20.008 64.340 -2.819 1.00 15.44 ? O ALA 48 A 1 +ATOM 1588 C CB ALA 48 . . E 3 19.162 62.704 -5.362 1.00 9.69 ? CB ALA 48 A 1 +ATOM 1589 N N VAL 49 . . E 3 21.006 62.412 -2.592 1.00 7.28 ? N VAL 49 A 1 +ATOM 1590 C CA VAL 49 . . E 3 22.082 62.992 -1.825 1.00 6 ? CA VAL 49 A 1 +ATOM 1591 C C VAL 49 . . E 3 23.231 63.077 -2.761 1.00 6 ? C VAL 49 A 1 +ATOM 1592 O O VAL 49 . . E 3 23.531 62.076 -3.408 1.00 15.08 ? O VAL 49 A 1 +ATOM 1593 C CB VAL 49 . . E 3 22.529 62.100 -0.605 1.00 6 ? CB VAL 49 A 1 +ATOM 1594 C CG1 VAL 49 . . E 3 23.614 62.837 0.275 1.00 6.77 ? CG1 VAL 49 A 1 +ATOM 1595 C CG2 VAL 49 . . E 3 21.350 61.778 0.210 1.00 6 ? CG2 VAL 49 A 1 +ATOM 1596 N N LEU 50 . . E 3 23.882 64.231 -2.830 1.00 8.56 ? N LEU 50 A 1 +ATOM 1597 C CA LEU 50 . . E 3 25.047 64.424 -3.708 1.00 9.23 ? CA LEU 50 A 1 +ATOM 1598 C C LEU 50 . . E 3 25.957 65.530 -3.153 1.00 9.79 ? C LEU 50 A 1 +ATOM 1599 O O LEU 50 . . E 3 25.537 66.375 -2.357 1.00 15.61 ? O LEU 50 A 1 +ATOM 1600 C CB LEU 50 . . E 3 24.551 64.786 -5.113 1.00 12.64 ? CB LEU 50 A 1 +ATOM 1601 C CG LEU 50 . . E 3 23.551 65.951 -5.265 1.00 13.96 ? CG LEU 50 A 1 +ATOM 1602 C CD1 LEU 50 . . E 3 24.253 67.224 -5.680 1.00 15.34 ? CD1 LEU 50 A 1 +ATOM 1603 C CD2 LEU 50 . . E 3 22.586 65.625 -6.337 1.00 11.99 ? CD2 LEU 50 A 1 +ATOM 1604 N N ILE 51 . . E 3 27.212 65.472 -3.537 1.00 6 ? N ILE 51 A 1 +ATOM 1605 C CA ILE 51 . . E 3 28.216 66.427 -3.141 1.00 11.11 ? CA ILE 51 A 1 +ATOM 1606 C C ILE 51 . . E 3 28.655 67.136 -4.420 1.00 15.65 ? C ILE 51 A 1 +ATOM 1607 O O ILE 51 . . E 3 28.068 66.920 -5.475 1.00 15.27 ? O ILE 51 A 1 +ATOM 1608 C CB ILE 51 . . E 3 29.476 65.728 -2.475 1.00 17.15 ? CB ILE 51 A 1 +ATOM 1609 C CG1 ILE 51 . . E 3 29.656 64.289 -3.023 1.00 14.36 ? CG1 ILE 51 A 1 +ATOM 1610 C CG2 ILE 51 . . E 3 29.323 65.764 -0.992 1.00 23.73 ? CG2 ILE 51 A 1 +ATOM 1611 C CD1 ILE 51 . . E 3 30.974 63.599 -2.695 1.00 6 ? CD1 ILE 51 A 1 +ATOM 1612 N N LYS 52 . . E 3 29.693 67.959 -4.369 1.00 22.44 ? N LYS 52 A 1 +ATOM 1613 C CA LYS 52 . . E 3 30.108 68.628 -5.596 1.00 20.38 ? CA LYS 52 A 1 +ATOM 1614 C C LYS 52 . . E 3 31.587 68.725 -5.688 1.00 22.43 ? C LYS 52 A 1 +ATOM 1615 O O LYS 52 . . E 3 32.302 68.658 -4.689 1.00 21.19 ? O LYS 52 A 1 +ATOM 1616 C CB LYS 52 . . E 3 29.522 70.046 -5.682 1.00 28.41 ? CB LYS 52 A 1 +ATOM 1617 C CG LYS 52 . . E 3 28.058 70.080 -6.134 1.00 31.04 ? CG LYS 52 A 1 +ATOM 1618 C CD LYS 52 . . E 3 27.343 71.403 -5.920 1.00 36.18 ? CD LYS 52 A 1 +ATOM 1619 C CE LYS 52 . . E 3 27.987 72.582 -6.629 1.00 41.84 ? CE LYS 52 A 1 +ATOM 1620 N NZ LYS 52 . . E 3 27.030 73.730 -6.488 1.00 41.22 ? NZ LYS 52 A 1 +ATOM 1621 N N ASP 53 . . E 3 32.008 68.837 -6.937 1.00 34.02 ? N ASP 53 A 1 +ATOM 1622 C CA ASP 53 . . E 3 33.384 69.003 -7.350 1.00 40.67 ? CA ASP 53 A 1 +ATOM 1623 C C ASP 53 . . E 3 33.751 70.462 -7.129 1.00 41.31 ? C ASP 53 A 1 +ATOM 1624 O O ASP 53 . . E 3 32.881 71.326 -7.115 1.00 43.84 ? O ASP 53 A 1 +ATOM 1625 C CB ASP 53 . . E 3 33.477 68.581 -8.823 1.00 47.56 ? CB ASP 53 A 1 +ATOM 1626 C CG ASP 53 . . E 3 34.229 69.556 -9.693 1.00 51.22 ? CG ASP 53 A 1 +ATOM 1627 O OD1 ASP 53 . . E 3 35.353 69.966 -9.336 1.00 55 ? OD1 ASP 53 A 1 +ATOM 1628 O OD2 ASP 53 . . E 3 33.685 69.900 -10.761 1.00 52.6 ? OD2 ASP 53 A 1 +ATOM 1629 N N GLU 54 . . E 3 35.036 70.744 -7.006 1.00 39.04 ? N GLU 54 A 1 +ATOM 1630 C CA GLU 54 . . E 3 35.502 72.093 -6.731 1.00 43.86 ? CA GLU 54 A 1 +ATOM 1631 C C GLU 54 . . E 3 34.884 73.156 -7.653 1.00 46.87 ? C GLU 54 A 1 +ATOM 1632 O O GLU 54 . . E 3 34.958 74.366 -7.361 1.00 47.75 ? O GLU 54 A 1 +ATOM 1633 C CB GLU 54 . . E 3 37.016 72.107 -6.852 1.00 45.27 ? CB GLU 54 A 1 +ATOM 1634 C CG GLU 54 . . E 3 37.712 71.097 -5.923 1.00 50.95 ? CG GLU 54 A 1 +ATOM 1635 C CD GLU 54 . . E 3 37.478 69.623 -6.307 1.00 51.54 ? CD GLU 54 A 1 +ATOM 1636 O OE1 GLU 54 . . E 3 37.701 69.268 -7.490 1.00 48.23 ? OE1 GLU 54 A 1 +ATOM 1637 O OE2 GLU 54 . . E 3 37.074 68.825 -5.427 1.00 54.62 ? OE2 GLU 54 A 1 +ATOM 1638 N N GLU 55 . . E 3 34.269 72.694 -8.747 1.00 45.46 ? N GLU 55 A 1 +ATOM 1639 C CA GLU 55 . . E 3 33.633 73.572 -9.719 1.00 42.78 ? CA GLU 55 A 1 +ATOM 1640 C C GLU 55 . . E 3 32.198 73.153 -10.124 1.00 37.52 ? C GLU 55 A 1 +ATOM 1641 O O GLU 55 . . E 3 31.670 73.617 -11.145 1.00 38.04 ? O GLU 55 A 1 +ATOM 1642 C CB GLU 55 . . E 3 34.511 73.651 -10.982 1.00 45.25 ? CB GLU 55 A 1 +ATOM 1643 C CG GLU 55 . . E 3 35.959 74.135 -10.752 1.00 53.87 ? CG GLU 55 A 1 +ATOM 1644 C CD GLU 55 . . E 3 36.046 75.472 -10.019 1.00 49.85 ? CD GLU 55 A 1 +ATOM 1645 O OE1 GLU 55 . . E 3 35.313 76.426 -10.387 1.00 48.93 ? OE1 GLU 55 A 1 +ATOM 1646 O OE2 GLU 55 . . E 3 36.857 75.546 -9.068 1.00 51.97 ? OE2 GLU 55 A 1 +ATOM 1647 N N GLY 56 . . E 3 31.555 72.273 -9.375 1.00 24.83 ? N GLY 56 A 1 +ATOM 1648 C CA GLY 56 . . E 3 30.199 71.989 -9.762 1.00 24.43 ? CA GLY 56 A 1 +ATOM 1649 C C GLY 56 . . E 3 29.922 70.586 -10.196 1.00 21.38 ? C GLY 56 A 1 +ATOM 1650 O O GLY 56 . . E 3 28.780 70.191 -10.114 1.00 35.28 ? O GLY 56 A 1 +ATOM 1651 N N LYS 57 . . E 3 30.884 69.822 -10.679 1.00 17.1 ? N LYS 57 A 1 +ATOM 1652 C CA LYS 57 . . E 3 30.536 68.465 -11.059 1.00 12.63 ? CA LYS 57 A 1 +ATOM 1653 C C LYS 57 . . E 3 29.951 67.777 -9.837 1.00 13.37 ? C LYS 57 A 1 +ATOM 1654 O O LYS 57 . . E 3 30.558 67.721 -8.781 1.00 18.45 ? O LYS 57 A 1 +ATOM 1655 C CB LYS 57 . . E 3 31.775 67.708 -11.537 1.00 25.65 ? CB LYS 57 A 1 +ATOM 1656 C CG LYS 57 . . E 3 31.671 66.192 -11.770 1.00 37.17 ? CG LYS 57 A 1 +ATOM 1657 C CD LYS 57 . . E 3 30.701 65.785 -12.899 1.00 49.62 ? CD LYS 57 A 1 +ATOM 1658 C CE LYS 57 . . E 3 30.905 64.308 -13.371 1.00 47.06 ? CE LYS 57 A 1 +ATOM 1659 N NZ LYS 57 . . E 3 30.004 63.900 -14.522 1.00 39.56 ? NZ LYS 57 A 1 +ATOM 1660 N N GLU 58 . . E 3 28.727 67.311 -10.000 1.00 10.43 ? N GLU 58 A 1 +ATOM 1661 C CA GLU 58 . . E 3 28.072 66.576 -8.966 1.00 11.37 ? CA GLU 58 A 1 +ATOM 1662 C C GLU 58 . . E 3 28.541 65.125 -9.032 1.00 14.73 ? C GLU 58 A 1 +ATOM 1663 O O GLU 58 . . E 3 29.151 64.735 -10.011 1.00 24.78 ? O GLU 58 A 1 +ATOM 1664 C CB GLU 58 . . E 3 26.559 66.683 -9.166 1.00 25.3 ? CB GLU 58 A 1 +ATOM 1665 C CG GLU 58 . . E 3 26.072 68.127 -9.195 1.00 29.25 ? CG GLU 58 A 1 +ATOM 1666 C CD GLU 58 . . E 3 24.557 68.268 -9.137 1.00 36.69 ? CD GLU 58 A 1 +ATOM 1667 O OE1 GLU 58 . . E 3 24.073 69.418 -9.133 1.00 36.06 ? OE1 GLU 58 A 1 +ATOM 1668 O OE2 GLU 58 . . E 3 23.838 67.245 -9.077 1.00 40.91 ? OE2 GLU 58 A 1 +ATOM 1669 N N MET 59 . . E 3 28.250 64.365 -7.981 1.00 9.85 ? N MET 59 A 1 +ATOM 1670 C CA MET 59 . . E 3 28.563 62.946 -7.777 1.00 6 ? CA MET 59 A 1 +ATOM 1671 C C MET 59 . . E 3 27.441 62.518 -6.871 1.00 7.8 ? C MET 59 A 1 +ATOM 1672 O O MET 59 . . E 3 27.509 62.757 -5.683 1.00 27.55 ? O MET 59 A 1 +ATOM 1673 C CB MET 59 . . E 3 29.885 62.741 -7.026 1.00 17.09 ? CB MET 59 A 1 +ATOM 1674 C CG MET 59 . . E 3 30.725 61.395 -7.180 1.00 24.34 ? CG MET 59 A 1 +ATOM 1675 S SD MET 59 . . E 3 29.955 59.781 -6.747 1.00 32.69 ? SD MET 59 A 1 +ATOM 1676 C CE MET 59 . . E 3 30.903 58.743 -7.804 1.00 24.75 ? CE MET 59 A 1 +ATOM 1677 N N ILE 60 . . E 3 26.345 61.996 -7.405 1.00 11.68 ? N ILE 60 A 1 +ATOM 1678 C CA ILE 60 . . E 3 25.287 61.537 -6.520 1.00 8.06 ? CA ILE 60 A 1 +ATOM 1679 C C ILE 60 . . E 3 25.776 60.408 -5.584 1.00 12.64 ? C ILE 60 A 1 +ATOM 1680 O O ILE 60 . . E 3 26.314 59.405 -6.055 1.00 10.42 ? O ILE 60 A 1 +ATOM 1681 C CB ILE 60 . . E 3 24.162 60.992 -7.290 1.00 7.69 ? CB ILE 60 A 1 +ATOM 1682 C CG1 ILE 60 . . E 3 23.555 62.080 -8.158 1.00 6 ? CG1 ILE 60 A 1 +ATOM 1683 C CG2 ILE 60 . . E 3 23.200 60.391 -6.325 1.00 8.49 ? CG2 ILE 60 A 1 +ATOM 1684 C CD1 ILE 60 . . E 3 22.294 61.637 -8.806 1.00 6 ? CD1 ILE 60 A 1 +ATOM 1685 N N LEU 61 . . E 3 25.606 60.576 -4.274 1.00 17.04 ? N LEU 61 A 1 +ATOM 1686 C CA LEU 61 . . E 3 26.032 59.558 -3.287 1.00 14.85 ? CA LEU 61 A 1 +ATOM 1687 C C LEU 61 . . E 3 25.047 58.442 -3.116 1.00 15.71 ? C LEU 61 A 1 +ATOM 1688 O O LEU 61 . . E 3 25.488 57.314 -2.943 1.00 13.65 ? O LEU 61 A 1 +ATOM 1689 C CB LEU 61 . . E 3 26.231 60.106 -1.869 1.00 7.01 ? CB LEU 61 A 1 +ATOM 1690 C CG LEU 61 . . E 3 27.579 60.698 -1.564 1.00 9.87 ? CG LEU 61 A 1 +ATOM 1691 C CD1 LEU 61 . . E 3 27.713 60.911 -0.077 1.00 6.62 ? CD1 LEU 61 A 1 +ATOM 1692 C CD2 LEU 61 . . E 3 28.637 59.762 -2.054 1.00 11.64 ? CD2 LEU 61 A 1 +ATOM 1693 N N SER 62 . . E 3 23.748 58.781 -3.081 1.00 13.52 ? N SER 62 A 1 +ATOM 1694 C CA SER 62 . . E 3 22.621 57.837 -2.913 1.00 12.7 ? CA SER 62 A 1 +ATOM 1695 C C SER 62 . . E 3 21.274 58.536 -3.104 1.00 14.27 ? C SER 62 A 1 +ATOM 1696 O O SER 62 . . E 3 21.203 59.749 -3.002 1.00 21.89 ? O SER 62 A 1 +ATOM 1697 C CB SER 62 . . E 3 22.678 57.216 -1.495 1.00 18.25 ? CB SER 62 A 1 +ATOM 1698 O OG SER 62 . . E 3 21.555 56.392 -1.167 1.00 22.32 ? OG SER 62 A 1 +ATOM 1699 N N TYR 63 . . E 3 20.211 57.803 -3.427 1.00 16.66 ? N TYR 63 A 1 +ATOM 1700 C CA TYR 63 . . E 3 18.880 58.425 -3.463 1.00 17.17 ? CA TYR 63 A 1 +ATOM 1701 C C TYR 63 . . E 3 18.262 57.974 -2.158 1.00 22.08 ? C TYR 63 A 1 +ATOM 1702 O O TYR 63 . . E 3 18.661 56.939 -1.620 1.00 26.67 ? O TYR 63 A 1 +ATOM 1703 C CB TYR 63 . . E 3 17.972 57.917 -4.611 1.00 25.46 ? CB TYR 63 A 1 +ATOM 1704 C CG TYR 63 . . E 3 18.406 58.316 -6.006 1.00 26.6 ? CG TYR 63 A 1 +ATOM 1705 C CD1 TYR 63 . . E 3 18.601 59.643 -6.354 1.00 27.88 ? CD1 TYR 63 A 1 +ATOM 1706 C CD2 TYR 63 . . E 3 18.650 57.354 -6.977 1.00 29.79 ? CD2 TYR 63 A 1 +ATOM 1707 C CE1 TYR 63 . . E 3 19.040 59.994 -7.643 1.00 30.6 ? CE1 TYR 63 A 1 +ATOM 1708 C CE2 TYR 63 . . E 3 19.084 57.694 -8.262 1.00 30.5 ? CE2 TYR 63 A 1 +ATOM 1709 C CZ TYR 63 . . E 3 19.280 59.008 -8.589 1.00 31.72 ? CZ TYR 63 A 1 +ATOM 1710 O OH TYR 63 . . E 3 19.732 59.312 -9.854 1.00 23.33 ? OH TYR 63 A 1 +ATOM 1711 N N LEU 64 . . E 3 17.295 58.717 -1.641 1.00 27.35 ? N LEU 64 A 1 +ATOM 1712 C CA LEU 64 . . E 3 16.679 58.380 -0.365 1.00 26.74 ? CA LEU 64 A 1 +ATOM 1713 C C LEU 64 . . E 3 15.184 58.367 -0.605 1.00 30.54 ? C LEU 64 A 1 +ATOM 1714 O O LEU 64 . . E 3 14.690 59.340 -1.158 1.00 25.17 ? O LEU 64 A 1 +ATOM 1715 C CB LEU 64 . . E 3 17.076 59.438 0.652 1.00 6.73 ? CB LEU 64 A 1 +ATOM 1716 C CG LEU 64 . . E 3 17.895 59.013 1.845 1.00 6 ? CG LEU 64 A 1 +ATOM 1717 C CD1 LEU 64 . . E 3 19.095 58.273 1.438 1.00 8.98 ? CD1 LEU 64 A 1 +ATOM 1718 C CD2 LEU 64 . . E 3 18.322 60.189 2.555 1.00 6 ? CD2 LEU 64 A 1 +ATOM 1719 N N ASN 65 . . E 3 14.477 57.292 -0.226 1.00 35.25 ? N ASN 65 A 1 +ATOM 1720 C CA ASN 65 . . E 3 13.029 57.160 -0.498 1.00 30.63 ? CA ASN 65 A 1 +ATOM 1721 C C ASN 65 . . E 3 12.106 57.385 0.730 1.00 28.38 ? C ASN 65 A 1 +ATOM 1722 O O ASN 65 . . E 3 12.578 57.708 1.833 1.00 23.29 ? O ASN 65 A 1 +ATOM 1723 C CB ASN 65 . . E 3 12.768 55.764 -1.093 1.00 29.39 ? CB ASN 65 A 1 +ATOM 1724 C CG ASN 65 . . E 3 13.589 55.492 -2.353 1.00 22.64 ? CG ASN 65 A 1 +ATOM 1725 O OD1 ASN 65 . . E 3 14.793 55.230 -2.286 1.00 22.55 ? OD1 ASN 65 A 1 +ATOM 1726 N ND2 ASN 65 . . E 3 12.927 55.540 -3.508 1.00 21.44 ? ND2 ASN 65 A 1 +ATOM 1727 N N GLN 66 . . E 3 10.794 57.196 0.562 1.00 22.94 ? N GLN 66 A 1 +ATOM 1728 C CA GLN 66 . . E 3 9.914 57.467 1.680 1.00 22.12 ? CA GLN 66 A 1 +ATOM 1729 C C GLN 66 . . E 3 10.164 56.488 2.766 1.00 27.93 ? C GLN 66 A 1 +ATOM 1730 O O GLN 66 . . E 3 10.397 55.305 2.536 1.00 35.38 ? O GLN 66 A 1 +ATOM 1731 C CB GLN 66 . . E 3 8.425 57.405 1.288 1.00 24.81 ? CB GLN 66 A 1 +ATOM 1732 C CG GLN 66 . . E 3 7.767 56.099 0.817 1.00 23.84 ? CG GLN 66 A 1 +ATOM 1733 C CD GLN 66 . . E 3 6.221 56.271 0.708 1.00 34.69 ? CD GLN 66 A 1 +ATOM 1734 O OE1 GLN 66 . . E 3 5.548 55.659 -0.126 1.00 39.05 ? OE1 GLN 66 A 1 +ATOM 1735 N NE2 GLN 66 . . E 3 5.667 57.121 1.563 1.00 31 ? NE2 GLN 66 A 1 +ATOM 1736 N N GLY 67 . . E 3 10.133 56.997 3.977 1.00 28.63 ? N GLY 67 A 1 +ATOM 1737 C CA GLY 67 . . E 3 10.386 56.138 5.090 1.00 26.95 ? CA GLY 67 A 1 +ATOM 1738 C C GLY 67 . . E 3 11.853 56.192 5.355 1.00 27.89 ? C GLY 67 A 1 +ATOM 1739 O O GLY 67 . . E 3 12.395 55.242 5.878 1.00 37.41 ? O GLY 67 A 1 +ATOM 1740 N N ASP 68 . . E 3 12.517 57.280 4.983 1.00 24.35 ? N ASP 68 A 1 +ATOM 1741 C CA ASP 68 . . E 3 13.945 57.400 5.301 1.00 26.61 ? CA ASP 68 A 1 +ATOM 1742 C C ASP 68 . . E 3 14.165 58.634 6.184 1.00 23.54 ? C ASP 68 A 1 +ATOM 1743 O O ASP 68 . . E 3 13.338 59.517 6.172 1.00 26.06 ? O ASP 68 A 1 +ATOM 1744 C CB ASP 68 . . E 3 14.763 57.521 4.001 1.00 22.95 ? CB ASP 68 A 1 +ATOM 1745 C CG ASP 68 . . E 3 15.496 56.224 3.626 1.00 24.75 ? CG ASP 68 A 1 +ATOM 1746 O OD1 ASP 68 . . E 3 15.106 55.504 2.676 1.00 13.07 ? OD1 ASP 68 A 1 +ATOM 1747 O OD2 ASP 68 . . E 3 16.500 55.935 4.305 1.00 30.67 ? OD2 ASP 68 A 1 +ATOM 1748 N N PHE 69 . . E 3 15.213 58.681 6.998 1.00 20.68 ? N PHE 69 A 1 +ATOM 1749 C CA PHE 69 . . E 3 15.493 59.879 7.797 1.00 19.92 ? CA PHE 69 A 1 +ATOM 1750 C C PHE 69 . . E 3 16.525 60.739 7.053 1.00 20.69 ? C PHE 69 A 1 +ATOM 1751 O O PHE 69 . . E 3 17.391 60.174 6.396 1.00 26.1 ? O PHE 69 A 1 +ATOM 1752 C CB PHE 69 . . E 3 16.095 59.522 9.149 1.00 28.8 ? CB PHE 69 A 1 +ATOM 1753 C CG PHE 69 . . E 3 15.138 58.927 10.137 1.00 34.08 ? CG PHE 69 A 1 +ATOM 1754 C CD1 PHE 69 . . E 3 14.123 59.702 10.695 1.00 28.93 ? CD1 PHE 69 A 1 +ATOM 1755 C CD2 PHE 69 . . E 3 15.277 57.587 10.539 1.00 38.04 ? CD2 PHE 69 A 1 +ATOM 1756 C CE1 PHE 69 . . E 3 13.255 59.150 11.641 1.00 32.17 ? CE1 PHE 69 A 1 +ATOM 1757 C CE2 PHE 69 . . E 3 14.425 57.023 11.476 1.00 30.56 ? CE2 PHE 69 A 1 +ATOM 1758 C CZ PHE 69 . . E 3 13.403 57.810 12.031 1.00 32.26 ? CZ PHE 69 A 1 +ATOM 1759 N N ILE 70 . . E 3 16.490 62.072 7.157 1.00 18.58 ? N ILE 70 A 1 +ATOM 1760 C CA ILE 70 . . E 3 17.498 62.892 6.454 1.00 26.28 ? CA ILE 70 A 1 +ATOM 1761 C C ILE 70 . . E 3 18.234 63.861 7.380 1.00 30.93 ? C ILE 70 A 1 +ATOM 1762 O O ILE 70 . . E 3 17.638 64.501 8.238 1.00 43.35 ? O ILE 70 A 1 +ATOM 1763 C CB ILE 70 . . E 3 16.920 63.804 5.355 1.00 34.75 ? CB ILE 70 A 1 +ATOM 1764 C CG1 ILE 70 . . E 3 16.022 63.039 4.387 1.00 38.94 ? CG1 ILE 70 A 1 +ATOM 1765 C CG2 ILE 70 . . E 3 18.074 64.350 4.546 1.00 37.06 ? CG2 ILE 70 A 1 +ATOM 1766 C CD1 ILE 70 . . E 3 15.300 63.970 3.381 1.00 44.51 ? CD1 ILE 70 A 1 +ATOM 1767 N N GLY 71 . . E 3 19.535 64.015 7.178 1.00 33.69 ? N GLY 71 A 1 +ATOM 1768 C CA GLY 71 . . E 3 20.282 64.937 8.009 1.00 25.56 ? CA GLY 71 A 1 +ATOM 1769 C C GLY 71 . . E 3 20.388 64.425 9.431 1.00 24.7 ? C GLY 71 A 1 +ATOM 1770 O O GLY 71 . . E 3 20.198 65.192 10.371 1.00 29.91 ? O GLY 71 A 1 +ATOM 1771 N N GLU 72 . . E 3 20.710 63.141 9.601 1.00 13.93 ? N GLU 72 A 1 +ATOM 1772 C CA GLU 72 . . E 3 20.832 62.623 10.936 1.00 12.48 ? CA GLU 72 A 1 +ATOM 1773 C C GLU 72 . . E 3 22.274 62.670 11.391 1.00 11.3 ? C GLU 72 A 1 +ATOM 1774 O O GLU 72 . . E 3 22.589 62.200 12.474 1.00 17.78 ? O GLU 72 A 1 +ATOM 1775 C CB GLU 72 . . E 3 20.317 61.171 11.013 1.00 13.01 ? CB GLU 72 A 1 +ATOM 1776 C CG GLU 72 . . E 3 21.236 60.065 10.399 1.00 18.25 ? CG GLU 72 A 1 +ATOM 1777 C CD GLU 72 . . E 3 21.276 60.043 8.866 1.00 16.76 ? CD GLU 72 A 1 +ATOM 1778 O OE1 GLU 72 . . E 3 20.306 60.513 8.239 1.00 11.12 ? OE1 GLU 72 A 1 +ATOM 1779 O OE2 GLU 72 . . E 3 22.277 59.551 8.294 1.00 15.76 ? OE2 GLU 72 A 1 +ATOM 1780 N N LEU 73 . . E 3 23.179 63.230 10.607 1.00 9.81 ? N LEU 73 A 1 +ATOM 1781 C CA LEU 73 . . E 3 24.587 63.222 11.057 1.00 13.82 ? CA LEU 73 A 1 +ATOM 1782 C C LEU 73 . . E 3 24.964 64.320 12.050 1.00 17.22 ? C LEU 73 A 1 +ATOM 1783 O O LEU 73 . . E 3 26.076 64.349 12.539 1.00 14.89 ? O LEU 73 A 1 +ATOM 1784 C CB LEU 73 . . E 3 25.527 63.298 9.836 1.00 14.15 ? CB LEU 73 A 1 +ATOM 1785 C CG LEU 73 . . E 3 25.782 61.937 9.125 1.00 14.99 ? CG LEU 73 A 1 +ATOM 1786 C CD1 LEU 73 . . E 3 24.860 60.857 9.671 1.00 21.16 ? CD1 LEU 73 A 1 +ATOM 1787 C CD2 LEU 73 . . E 3 25.495 62.078 7.629 1.00 8.97 ? CD2 LEU 73 A 1 +ATOM 1788 N N GLY 74 . . E 3 24.038 65.217 12.375 1.00 30.27 ? N GLY 74 A 1 +ATOM 1789 C CA GLY 74 . . E 3 24.353 66.270 13.328 1.00 33.67 ? CA GLY 74 A 1 +ATOM 1790 C C GLY 74 . . E 3 23.872 65.896 14.713 1.00 34.03 ? C GLY 74 A 1 +ATOM 1791 O O GLY 74 . . E 3 24.427 66.303 15.737 1.00 39.53 ? O GLY 74 A 1 +ATOM 1792 N N LEU 75 . . E 3 22.829 65.080 14.708 1.00 26.27 ? N LEU 75 A 1 +ATOM 1793 C CA LEU 75 . . E 3 22.162 64.571 15.881 1.00 23.17 ? CA LEU 75 A 1 +ATOM 1794 C C LEU 75 . . E 3 23.062 64.115 17.022 1.00 25.64 ? C LEU 75 A 1 +ATOM 1795 O O LEU 75 . . E 3 22.563 63.981 18.131 1.00 34.35 ? O LEU 75 A 1 +ATOM 1796 C CB LEU 75 . . E 3 21.299 63.421 15.455 1.00 29.9 ? CB LEU 75 A 1 +ATOM 1797 C CG LEU 75 . . E 3 20.410 62.799 16.499 1.00 40.14 ? CG LEU 75 A 1 +ATOM 1798 C CD1 LEU 75 . . E 3 19.480 63.847 17.131 1.00 35.25 ? CD1 LEU 75 A 1 +ATOM 1799 C CD2 LEU 75 . . E 3 19.632 61.691 15.802 1.00 46.55 ? CD2 LEU 75 A 1 +ATOM 1800 N N PHE 76 . . E 3 24.351 63.863 16.776 1.00 29.39 ? N PHE 76 A 1 +ATOM 1801 C CA PHE 76 . . E 3 25.232 63.328 17.823 1.00 30.43 ? CA PHE 76 A 1 +ATOM 1802 C C PHE 76 . . E 3 26.430 64.224 18.119 1.00 33.08 ? C PHE 76 A 1 +ATOM 1803 O O PHE 76 . . E 3 27.470 63.721 18.556 1.00 39.56 ? O PHE 76 A 1 +ATOM 1804 C CB PHE 76 . . E 3 25.825 61.946 17.450 1.00 36.92 ? CB PHE 76 A 1 +ATOM 1805 C CG PHE 76 . . E 3 24.898 61.037 16.711 1.00 38.34 ? CG PHE 76 A 1 +ATOM 1806 C CD1 PHE 76 . . E 3 24.024 60.212 17.377 1.00 39.9 ? CD1 PHE 76 A 1 +ATOM 1807 C CD2 PHE 76 . . E 3 24.899 61.026 15.330 1.00 38.51 ? CD2 PHE 76 A 1 +ATOM 1808 C CE1 PHE 76 . . E 3 23.163 59.392 16.668 1.00 39.12 ? CE1 PHE 76 A 1 +ATOM 1809 C CE2 PHE 76 . . E 3 24.045 60.211 14.625 1.00 34.14 ? CE2 PHE 76 A 1 +ATOM 1810 C CZ PHE 76 . . E 3 23.179 59.400 15.298 1.00 25.35 ? CZ PHE 76 A 1 +ATOM 1811 N N GLU 77 . . E 3 26.336 65.522 17.878 1.00 31.61 ? N GLU 77 A 1 +ATOM 1812 C CA GLU 77 . . E 3 27.451 66.404 18.189 1.00 33.42 ? CA GLU 77 A 1 +ATOM 1813 C C GLU 77 . . E 3 26.985 67.802 17.924 1.00 35.76 ? C GLU 77 A 1 +ATOM 1814 O O GLU 77 . . E 3 25.972 67.976 17.278 1.00 46.52 ? O GLU 77 A 1 +ATOM 1815 C CB GLU 77 . . E 3 28.675 66.042 17.322 1.00 34.97 ? CB GLU 77 A 1 +ATOM 1816 C CG GLU 77 . . E 3 29.904 66.925 17.598 1.00 51.06 ? CG GLU 77 A 1 +ATOM 1817 C CD GLU 77 . . E 3 31.263 66.279 17.279 1.00 55 ? CD GLU 77 A 1 +ATOM 1818 O OE1 GLU 77 . . E 3 31.515 65.160 17.790 1.00 55 ? OE1 GLU 77 A 1 +ATOM 1819 O OE2 GLU 77 . . E 3 32.085 66.893 16.549 1.00 54.67 ? OE2 GLU 77 A 1 +ATOM 1820 N N GLU 78 . . E 3 27.679 68.809 18.420 1.00 41.85 ? N GLU 78 A 1 +ATOM 1821 C CA GLU 78 . . E 3 27.189 70.174 18.243 1.00 44.81 ? CA GLU 78 A 1 +ATOM 1822 C C GLU 78 . . E 3 27.858 70.930 17.107 1.00 45.88 ? C GLU 78 A 1 +ATOM 1823 O O GLU 78 . . E 3 29.008 70.645 16.770 1.00 47.34 ? O GLU 78 A 1 +ATOM 1824 C CB GLU 78 . . E 3 27.391 70.971 19.536 1.00 45.21 ? CB GLU 78 A 1 +ATOM 1825 C CG GLU 78 . . E 3 26.689 70.419 20.792 1.00 45.88 ? CG GLU 78 A 1 +ATOM 1826 C CD GLU 78 . . E 3 25.188 70.692 20.848 1.00 43.78 ? CD GLU 78 A 1 +ATOM 1827 O OE1 GLU 78 . . E 3 24.748 71.674 20.201 1.00 43.55 ? OE1 GLU 78 A 1 +ATOM 1828 O OE2 GLU 78 . . E 3 24.475 69.923 21.551 1.00 37.15 ? OE2 GLU 78 A 1 +ATOM 1829 N N GLY 79 . . E 3 27.102 71.872 16.529 1.00 46.22 ? N GLY 79 A 1 +ATOM 1830 C CA GLY 79 . . E 3 27.586 72.776 15.489 1.00 48.69 ? CA GLY 79 A 1 +ATOM 1831 C C GLY 79 . . E 3 28.298 72.166 14.276 1.00 42.68 ? C GLY 79 A 1 +ATOM 1832 O O GLY 79 . . E 3 29.325 72.698 13.778 1.00 30.47 ? O GLY 79 A 1 +ATOM 1833 N N GLN 80 . . E 3 27.772 71.053 13.783 1.00 45.11 ? N GLN 80 A 1 +ATOM 1834 C CA GLN 80 . . E 3 28.360 70.473 12.601 1.00 42.89 ? CA GLN 80 A 1 +ATOM 1835 C C GLN 80 . . E 3 27.525 70.938 11.420 1.00 41.23 ? C GLN 80 A 1 +ATOM 1836 O O GLN 80 . . E 3 26.302 71.124 11.541 1.00 39.58 ? O GLN 80 A 1 +ATOM 1837 C CB GLN 80 . . E 3 28.359 68.940 12.715 1.00 46.42 ? CB GLN 80 A 1 +ATOM 1838 C CG GLN 80 . . E 3 29.252 68.388 13.832 1.00 43.16 ? CG GLN 80 A 1 +ATOM 1839 C CD GLN 80 . . E 3 29.474 66.891 13.706 1.00 48.16 ? CD GLN 80 A 1 +ATOM 1840 O OE1 GLN 80 . . E 3 30.557 66.429 13.310 1.00 42.62 ? OE1 GLN 80 A 1 +ATOM 1841 N NE2 GLN 80 . . E 3 28.443 66.121 14.028 1.00 46.28 ? NE2 GLN 80 A 1 +ATOM 1842 N N GLU 81 . . E 3 28.186 71.163 10.293 1.00 36.87 ? N GLU 81 A 1 +ATOM 1843 C CA GLU 81 . . E 3 27.487 71.603 9.083 1.00 35.83 ? CA GLU 81 A 1 +ATOM 1844 C C GLU 81 . . E 3 26.672 70.453 8.445 1.00 36.6 ? C GLU 81 A 1 +ATOM 1845 O O GLU 81 . . E 3 26.724 69.319 8.936 1.00 35.61 ? O GLU 81 A 1 +ATOM 1846 C CB GLU 81 . . E 3 28.524 72.129 8.107 1.00 41.66 ? CB GLU 81 A 1 +ATOM 1847 C CG GLU 81 . . E 3 29.510 73.051 8.809 1.00 44.03 ? CG GLU 81 A 1 +ATOM 1848 C CD GLU 81 . . E 3 30.367 73.852 7.879 1.00 49.44 ? CD GLU 81 A 1 +ATOM 1849 O OE1 GLU 81 . . E 3 30.417 75.076 8.086 1.00 55 ? OE1 GLU 81 A 1 +ATOM 1850 O OE2 GLU 81 . . E 3 30.989 73.283 6.958 1.00 48.69 ? OE2 GLU 81 A 1 +ATOM 1851 N N ARG 82 . . E 3 25.895 70.748 7.396 1.00 27.15 ? N ARG 82 A 1 +ATOM 1852 C CA ARG 82 . . E 3 25.130 69.725 6.672 1.00 23.9 ? CA ARG 82 A 1 +ATOM 1853 C C ARG 82 . . E 3 26.166 69.218 5.662 1.00 20.67 ? C ARG 82 A 1 +ATOM 1854 O O ARG 82 . . E 3 26.767 70.046 4.983 1.00 27.73 ? O ARG 82 A 1 +ATOM 1855 C CB ARG 82 . . E 3 23.936 70.359 5.960 1.00 20.29 ? CB ARG 82 A 1 +ATOM 1856 C CG ARG 82 . . E 3 22.982 71.156 6.834 1.00 26.02 ? CG ARG 82 A 1 +ATOM 1857 C CD ARG 82 . . E 3 21.699 70.447 7.165 1.00 18.92 ? CD ARG 82 A 1 +ATOM 1858 N NE ARG 82 . . E 3 21.919 69.244 7.969 1.00 41.63 ? NE ARG 82 A 1 +ATOM 1859 C CZ ARG 82 . . E 3 20.977 68.632 8.691 1.00 38.51 ? CZ ARG 82 A 1 +ATOM 1860 N NH1 ARG 82 . . E 3 19.715 69.089 8.731 1.00 33.68 ? NH1 ARG 82 A 1 +ATOM 1861 N NH2 ARG 82 . . E 3 21.307 67.555 9.387 1.00 38.07 ? NH2 ARG 82 A 1 +ATOM 1862 N N SER 83 . . E 3 26.376 67.905 5.537 1.00 10.76 ? N SER 83 A 1 +ATOM 1863 C CA SER 83 . . E 3 27.491 67.424 4.701 1.00 11.3 ? CA SER 83 A 1 +ATOM 1864 C C SER 83 . . E 3 27.305 67.181 3.208 1.00 6.17 ? C SER 83 A 1 +ATOM 1865 O O SER 83 . . E 3 28.297 66.884 2.547 1.00 8.1 ? O SER 83 A 1 +ATOM 1866 C CB SER 83 . . E 3 28.080 66.115 5.275 1.00 6 ? CB SER 83 A 1 +ATOM 1867 O OG SER 83 . . E 3 27.145 65.043 5.227 1.00 10.48 ? OG SER 83 A 1 +ATOM 1868 N N ALA 84 . . E 3 26.112 67.312 2.666 1.00 6 ? N ALA 84 A 1 +ATOM 1869 C CA ALA 84 . . E 3 25.907 67.047 1.234 1.00 13.33 ? CA ALA 84 A 1 +ATOM 1870 C C ALA 84 . . E 3 24.703 67.799 0.768 1.00 14.8 ? C ALA 84 A 1 +ATOM 1871 O O ALA 84 . . E 3 24.214 68.695 1.449 1.00 19.43 ? O ALA 84 A 1 +ATOM 1872 C CB ALA 84 . . E 3 25.678 65.541 0.972 1.00 22.03 ? CB ALA 84 A 1 +ATOM 1873 N N TRP 85 . . E 3 24.214 67.430 -0.394 1.00 11.47 ? N TRP 85 A 1 +ATOM 1874 C CA TRP 85 . . E 3 23.019 68.068 -0.873 1.00 11.4 ? CA TRP 85 A 1 +ATOM 1875 C C TRP 85 . . E 3 21.912 67.055 -1.014 1.00 10.37 ? C TRP 85 A 1 +ATOM 1876 O O TRP 85 . . E 3 22.139 65.862 -1.158 1.00 20.14 ? O TRP 85 A 1 +ATOM 1877 C CB TRP 85 . . E 3 23.300 68.713 -2.199 1.00 21.53 ? CB TRP 85 A 1 +ATOM 1878 C CG TRP 85 . . E 3 23.682 70.120 -2.147 1.00 21.1 ? CG TRP 85 A 1 +ATOM 1879 C CD1 TRP 85 . . E 3 22.833 71.166 -2.150 1.00 21.65 ? CD1 TRP 85 A 1 +ATOM 1880 C CD2 TRP 85 . . E 3 24.991 70.665 -2.223 1.00 12.05 ? CD2 TRP 85 A 1 +ATOM 1881 N NE1 TRP 85 . . E 3 23.526 72.342 -2.251 1.00 13.68 ? NE1 TRP 85 A 1 +ATOM 1882 C CE2 TRP 85 . . E 3 24.856 72.063 -2.303 1.00 15.41 ? CE2 TRP 85 A 1 +ATOM 1883 C CE3 TRP 85 . . E 3 26.257 70.115 -2.251 1.00 13.77 ? CE3 TRP 85 A 1 +ATOM 1884 C CZ2 TRP 85 . . E 3 25.934 72.918 -2.411 1.00 6.21 ? CZ2 TRP 85 A 1 +ATOM 1885 C CZ3 TRP 85 . . E 3 27.344 70.964 -2.357 1.00 15.3 ? CZ3 TRP 85 A 1 +ATOM 1886 C CH2 TRP 85 . . E 3 27.172 72.349 -2.442 1.00 18.9 ? CH2 TRP 85 A 1 +ATOM 1887 N N VAL 86 . . E 3 20.703 67.544 -1.041 1.00 6 ? N VAL 86 A 1 +ATOM 1888 C CA VAL 86 . . E 3 19.566 66.691 -1.097 1.00 6 ? CA VAL 86 A 1 +ATOM 1889 C C VAL 86 . . E 3 18.480 67.505 -1.788 1.00 13.05 ? C VAL 86 A 1 +ATOM 1890 O O VAL 86 . . E 3 18.044 68.556 -1.278 1.00 19.1 ? O VAL 86 A 1 +ATOM 1891 C CB VAL 86 . . E 3 19.164 66.285 0.351 1.00 6 ? CB VAL 86 A 1 +ATOM 1892 C CG1 VAL 86 . . E 3 17.905 65.475 0.357 1.00 7.7 ? CG1 VAL 86 A 1 +ATOM 1893 C CG2 VAL 86 . . E 3 20.252 65.488 0.952 1.00 6 ? CG2 VAL 86 A 1 +ATOM 1894 N N ARG 87 . . E 3 18.078 67.020 -2.960 1.00 17.12 ? N ARG 87 A 1 +ATOM 1895 C CA ARG 87 . . E 3 17.091 67.633 -3.828 1.00 19.39 ? CA ARG 87 A 1 +ATOM 1896 C C ARG 87 . . E 3 15.949 66.657 -4.071 1.00 23.02 ? C ARG 87 A 1 +ATOM 1897 O O ARG 87 . . E 3 16.187 65.500 -4.343 1.00 27.12 ? O ARG 87 A 1 +ATOM 1898 C CB ARG 87 . . E 3 17.784 68.008 -5.140 1.00 14.28 ? CB ARG 87 A 1 +ATOM 1899 C CG ARG 87 . . E 3 16.849 68.186 -6.314 1.00 29.5 ? CG ARG 87 A 1 +ATOM 1900 C CD ARG 87 . . E 3 17.570 68.425 -7.657 1.00 30.53 ? CD ARG 87 A 1 +ATOM 1901 N NE ARG 87 . . E 3 18.262 67.287 -8.268 1.00 37.35 ? NE ARG 87 A 1 +ATOM 1902 C CZ ARG 87 . . E 3 19.565 67.275 -8.582 1.00 42.86 ? CZ ARG 87 A 1 +ATOM 1903 N NH1 ARG 87 . . E 3 20.323 68.349 -8.330 1.00 35.93 ? NH1 ARG 87 A 1 +ATOM 1904 N NH2 ARG 87 . . E 3 20.115 66.203 -9.179 1.00 27.91 ? NH2 ARG 87 A 1 +ATOM 1905 N N ALA 88 . . E 3 14.710 67.110 -3.974 1.00 30.45 ? N ALA 88 A 1 +ATOM 1906 C CA ALA 88 . . E 3 13.575 66.227 -4.192 1.00 32.4 ? CA ALA 88 A 1 +ATOM 1907 C C ALA 88 . . E 3 13.623 65.688 -5.590 1.00 33.41 ? C ALA 88 A 1 +ATOM 1908 O O ALA 88 . . E 3 13.683 66.465 -6.532 1.00 42.77 ? O ALA 88 A 1 +ATOM 1909 C CB ALA 88 . . E 3 12.311 66.975 -4.006 1.00 31.17 ? CB ALA 88 A 1 +ATOM 1910 N N LYS 89 . . E 3 13.631 64.370 -5.734 1.00 32.75 ? N LYS 89 A 1 +ATOM 1911 C CA LYS 89 . . E 3 13.653 63.750 -7.061 1.00 34.42 ? CA LYS 89 A 1 +ATOM 1912 C C LYS 89 . . E 3 12.225 63.831 -7.615 1.00 30.9 ? C LYS 89 A 1 +ATOM 1913 O O LYS 89 . . E 3 11.980 63.888 -8.825 1.00 32.55 ? O LYS 89 A 1 +ATOM 1914 C CB LYS 89 . . E 3 14.120 62.293 -6.930 1.00 35.68 ? CB LYS 89 A 1 +ATOM 1915 C CG LYS 89 . . E 3 14.923 61.824 -8.113 1.00 36.56 ? CG LYS 89 A 1 +ATOM 1916 C CD LYS 89 . . E 3 15.513 60.411 -7.969 1.00 34.14 ? CD LYS 89 A 1 +ATOM 1917 C CE LYS 89 . . E 3 14.535 59.261 -8.223 1.00 36.64 ? CE LYS 89 A 1 +ATOM 1918 N NZ LYS 89 . . E 3 13.699 58.787 -7.090 1.00 31.48 ? NZ LYS 89 A 1 +ATOM 1919 N N THR 90 . . E 3 11.295 63.843 -6.665 1.00 30.89 ? N THR 90 A 1 +ATOM 1920 C CA THR 90 . . E 3 9.860 63.965 -6.886 1.00 32.73 ? CA THR 90 A 1 +ATOM 1921 C C THR 90 . . E 3 9.328 64.859 -5.788 1.00 33.54 ? C THR 90 A 1 +ATOM 1922 O O THR 90 . . E 3 10.102 65.461 -5.047 1.00 40.04 ? O THR 90 A 1 +ATOM 1923 C CB THR 90 . . E 3 9.112 62.620 -6.779 1.00 34.98 ? CB THR 90 A 1 +ATOM 1924 O OG1 THR 90 . . E 3 9.450 62.011 -5.531 1.00 39.57 ? OG1 THR 90 A 1 +ATOM 1925 C CG2 THR 90 . . E 3 9.454 61.702 -7.948 1.00 40.12 ? CG2 THR 90 A 1 +ATOM 1926 N N ALA 91 . . E 3 8.018 64.961 -5.675 1.00 25.85 ? N ALA 91 A 1 +ATOM 1927 C CA ALA 91 . . E 3 7.469 65.797 -4.633 1.00 27.82 ? CA ALA 91 A 1 +ATOM 1928 C C ALA 91 . . E 3 7.696 65.150 -3.272 1.00 33.09 ? C ALA 91 A 1 +ATOM 1929 O O ALA 91 . . E 3 7.710 63.934 -3.167 1.00 40.41 ? O ALA 91 A 1 +ATOM 1930 C CB ALA 91 . . E 3 6.001 65.988 -4.906 1.00 33.09 ? CB ALA 91 A 1 +ATOM 1931 N N CYS 92 . . E 3 7.856 65.918 -2.207 1.00 36.14 ? N CYS 92 A 1 +ATOM 1932 C CA CYS 92 . . E 3 8.078 65.220 -0.961 1.00 44.77 ? CA CYS 92 A 1 +ATOM 1933 C C CYS 92 . . E 3 7.499 65.844 0.302 1.00 51.16 ? C CYS 92 A 1 +ATOM 1934 O O CYS 92 . . E 3 7.872 66.968 0.679 1.00 55 ? O CYS 92 A 1 +ATOM 1935 C CB CYS 92 . . E 3 9.562 65.046 -0.727 1.00 45.43 ? CB CYS 92 A 1 +ATOM 1936 S SG CYS 92 . . E 3 10.418 64.677 -2.190 1.00 41.87 ? SG CYS 92 A 1 +ATOM 1937 N N GLU 93 . . E 3 6.573 65.131 0.942 1.00 45.15 ? N GLU 93 A 1 +ATOM 1938 C CA GLU 93 . . E 3 6.115 65.568 2.247 1.00 40.07 ? CA GLU 93 A 1 +ATOM 1939 C C GLU 93 . . E 3 7.268 65.124 3.163 1.00 38.57 ? C GLU 93 A 1 +ATOM 1940 O O GLU 93 . . E 3 7.531 63.930 3.290 1.00 46 ? O GLU 93 A 1 +ATOM 1941 C CB GLU 93 . . E 3 4.852 64.846 2.683 1.00 40.37 ? CB GLU 93 A 1 +ATOM 1942 C CG GLU 93 . . E 3 3.622 65.062 1.879 1.00 43.07 ? CG GLU 93 A 1 +ATOM 1943 C CD GLU 93 . . E 3 2.458 64.267 2.448 1.00 46.73 ? CD GLU 93 A 1 +ATOM 1944 O OE1 GLU 93 . . E 3 2.482 63.886 3.656 1.00 45.91 ? OE1 GLU 93 A 1 +ATOM 1945 O OE2 GLU 93 . . E 3 1.512 64.026 1.669 1.00 50.53 ? OE2 GLU 93 A 1 +ATOM 1946 N N VAL 94 . . E 3 7.953 66.063 3.784 1.00 25.26 ? N VAL 94 A 1 +ATOM 1947 C CA VAL 94 . . E 3 9.118 65.773 4.592 1.00 19.52 ? CA VAL 94 A 1 +ATOM 1948 C C VAL 94 . . E 3 8.897 66.290 5.995 1.00 22.16 ? C VAL 94 A 1 +ATOM 1949 O O VAL 94 . . E 3 8.955 67.495 6.223 1.00 27.41 ? O VAL 94 A 1 +ATOM 1950 C CB VAL 94 . . E 3 10.345 66.451 3.948 1.00 27.22 ? CB VAL 94 A 1 +ATOM 1951 C CG1 VAL 94 . . E 3 11.586 66.291 4.798 1.00 34.77 ? CG1 VAL 94 A 1 +ATOM 1952 C CG2 VAL 94 . . E 3 10.571 65.836 2.611 1.00 34.72 ? CG2 VAL 94 A 1 +ATOM 1953 N N ALA 95 . . E 3 8.633 65.384 6.932 1.00 21.55 ? N ALA 95 A 1 +ATOM 1954 C CA ALA 95 . . E 3 8.413 65.749 8.331 1.00 19.89 ? CA ALA 95 A 1 +ATOM 1955 C C ALA 95 . . E 3 9.648 66.317 8.977 1.00 17.88 ? C ALA 95 A 1 +ATOM 1956 O O ALA 95 . . E 3 10.783 66.018 8.599 1.00 20.23 ? O ALA 95 A 1 +ATOM 1957 C CB ALA 95 . . E 3 7.982 64.536 9.155 1.00 23.5 ? CB ALA 95 A 1 +ATOM 1958 N N GLU 96 . . E 3 9.410 67.107 10.005 1.00 25.98 ? N GLU 96 A 1 +ATOM 1959 C CA GLU 96 . . E 3 10.490 67.661 10.767 1.00 29.5 ? CA GLU 96 A 1 +ATOM 1960 C C GLU 96 . . E 3 10.201 67.791 12.252 1.00 33.73 ? C GLU 96 A 1 +ATOM 1961 O O GLU 96 . . E 3 9.084 68.046 12.689 1.00 35.78 ? O GLU 96 A 1 +ATOM 1962 C CB GLU 96 . . E 3 10.866 69.051 10.274 1.00 27.63 ? CB GLU 96 A 1 +ATOM 1963 C CG GLU 96 . . E 3 11.637 69.106 9.007 1.00 32.63 ? CG GLU 96 A 1 +ATOM 1964 C CD GLU 96 . . E 3 10.858 69.759 7.912 1.00 44.18 ? CD GLU 96 A 1 +ATOM 1965 O OE1 GLU 96 . . E 3 11.466 70.476 7.088 1.00 45.71 ? OE1 GLU 96 A 1 +ATOM 1966 O OE2 GLU 96 . . E 3 9.629 69.551 7.882 1.00 53.2 ? OE2 GLU 96 A 1 +ATOM 1967 N N ILE 97 . . E 3 11.291 67.564 12.971 1.00 36.22 ? N ILE 97 A 1 +ATOM 1968 C CA ILE 97 . . E 3 11.520 67.749 14.392 1.00 37.13 ? CA ILE 97 A 1 +ATOM 1969 C C ILE 97 . . E 3 12.756 68.579 14.553 1.00 35.72 ? C ILE 97 A 1 +ATOM 1970 O O ILE 97 . . E 3 13.247 69.075 13.552 1.00 32.79 ? O ILE 97 A 1 +ATOM 1971 C CB ILE 97 . . E 3 11.823 66.431 15.203 1.00 36.02 ? CB ILE 97 A 1 +ATOM 1972 C CG1 ILE 97 . . E 3 11.163 65.223 14.564 1.00 35.7 ? CG1 ILE 97 A 1 +ATOM 1973 C CG2 ILE 97 . . E 3 11.213 66.545 16.624 1.00 24.59 ? CG2 ILE 97 A 1 +ATOM 1974 C CD1 ILE 97 . . E 3 11.442 63.942 15.305 1.00 39.9 ? CD1 ILE 97 A 1 +ATOM 1975 N N SER 98 . . E 3 13.287 68.758 15.749 1.00 40.49 ? N SER 98 A 1 +ATOM 1976 C CA SER 98 . . E 3 14.551 69.491 15.807 1.00 43.85 ? CA SER 98 A 1 +ATOM 1977 C C SER 98 . . E 3 15.480 68.575 16.566 1.00 42.09 ? C SER 98 A 1 +ATOM 1978 O O SER 98 . . E 3 15.022 67.554 17.113 1.00 41.2 ? O SER 98 A 1 +ATOM 1979 C CB SER 98 . . E 3 14.391 70.858 16.548 1.00 42.58 ? CB SER 98 A 1 +ATOM 1980 O OG SER 98 . . E 3 14.027 70.740 17.910 1.00 44.95 ? OG SER 98 A 1 +ATOM 1981 N N TYR 99 . . E 3 16.764 68.873 16.614 1.00 35.58 ? N TYR 99 A 1 +ATOM 1982 C CA TYR 99 . . E 3 17.617 67.921 17.281 1.00 38.18 ? CA TYR 99 A 1 +ATOM 1983 C C TYR 99 . . E 3 17.200 67.637 18.724 1.00 41.1 ? C TYR 99 A 1 +ATOM 1984 O O TYR 99 . . E 3 17.006 66.472 19.136 1.00 35.74 ? O TYR 99 A 1 +ATOM 1985 C CB TYR 99 . . E 3 19.056 68.436 17.217 1.00 32.98 ? CB TYR 99 A 1 +ATOM 1986 C CG TYR 99 . . E 3 19.697 68.180 15.859 1.00 25.49 ? CG TYR 99 A 1 +ATOM 1987 C CD1 TYR 99 . . E 3 18.969 67.607 14.814 1.00 29.95 ? CD1 TYR 99 A 1 +ATOM 1988 C CD2 TYR 99 . . E 3 21.021 68.488 15.627 1.00 22.03 ? CD2 TYR 99 A 1 +ATOM 1989 C CE1 TYR 99 . . E 3 19.544 67.349 13.585 1.00 23.04 ? CE1 TYR 99 A 1 +ATOM 1990 C CE2 TYR 99 . . E 3 21.607 68.239 14.409 1.00 19.43 ? CE2 TYR 99 A 1 +ATOM 1991 C CZ TYR 99 . . E 3 20.866 67.666 13.384 1.00 22.99 ? CZ TYR 99 A 1 +ATOM 1992 O OH TYR 99 . . E 3 21.449 67.402 12.167 1.00 22.8 ? OH TYR 99 A 1 +ATOM 1993 N N LYS 100 . . E 3 16.998 68.708 19.480 1.00 45.21 ? N LYS 100 A 1 +ATOM 1994 C CA LYS 100 . . E 3 16.676 68.561 20.889 1.00 43 ? CA LYS 100 A 1 +ATOM 1995 C C LYS 100 . . E 3 15.340 67.917 21.120 1.00 40.2 ? C LYS 100 A 1 +ATOM 1996 O O LYS 100 . . E 3 15.254 67.016 21.960 1.00 41.22 ? O LYS 100 A 1 +ATOM 1997 C CB LYS 100 . . E 3 16.724 69.934 21.591 1.00 35.73 ? CB LYS 100 A 1 +ATOM 1998 C CG LYS 100 . . E 3 18.161 70.482 21.720 1.00 29.76 ? CG LYS 100 A 1 +ATOM 1999 C CD LYS 100 . . E 3 18.414 71.768 20.923 1.00 33.34 ? CD LYS 100 A 1 +ATOM 2000 C CE LYS 100 . . E 3 18.210 71.711 19.371 1.00 32.98 ? CE LYS 100 A 1 +ATOM 2001 N NZ LYS 100 . . E 3 16.791 71.664 18.855 1.00 32.31 ? NZ LYS 100 A 1 +ATOM 2002 N N LYS 101 . . E 3 14.299 68.313 20.396 1.00 24.97 ? N LYS 101 A 1 +ATOM 2003 C CA LYS 101 . . E 3 13.056 67.660 20.732 1.00 29.84 ? CA LYS 101 A 1 +ATOM 2004 C C LYS 101 . . E 3 13.182 66.176 20.428 1.00 37.14 ? C LYS 101 A 1 +ATOM 2005 O O LYS 101 . . E 3 12.539 65.330 21.077 1.00 41.51 ? O LYS 101 A 1 +ATOM 2006 C CB LYS 101 . . E 3 11.893 68.258 19.947 1.00 37.74 ? CB LYS 101 A 1 +ATOM 2007 C CG LYS 101 . . E 3 10.519 67.818 20.523 1.00 43.67 ? CG LYS 101 A 1 +ATOM 2008 C CD LYS 101 . . E 3 10.494 68.057 22.042 1.00 43.49 ? CD LYS 101 A 1 +ATOM 2009 C CE LYS 101 . . E 3 9.179 67.691 22.696 1.00 50.32 ? CE LYS 101 A 1 +ATOM 2010 N NZ LYS 101 . . E 3 9.374 67.623 24.180 1.00 43.61 ? NZ LYS 101 A 1 +ATOM 2011 N N PHE 102 . . E 3 14.044 65.860 19.463 1.00 45.97 ? N PHE 102 A 1 +ATOM 2012 C CA PHE 102 . . E 3 14.285 64.473 19.109 1.00 40.49 ? CA PHE 102 A 1 +ATOM 2013 C C PHE 102 . . E 3 14.964 63.738 20.278 1.00 33.92 ? C PHE 102 A 1 +ATOM 2014 O O PHE 102 . . E 3 14.473 62.698 20.702 1.00 35.16 ? O PHE 102 A 1 +ATOM 2015 C CB PHE 102 . . E 3 15.173 64.382 17.859 1.00 30.78 ? CB PHE 102 A 1 +ATOM 2016 C CG PHE 102 . . E 3 15.397 62.981 17.421 1.00 19.48 ? CG PHE 102 A 1 +ATOM 2017 C CD1 PHE 102 . . E 3 14.377 62.268 16.870 1.00 21.14 ? CD1 PHE 102 A 1 +ATOM 2018 C CD2 PHE 102 . . E 3 16.623 62.382 17.582 1.00 26.31 ? CD2 PHE 102 A 1 +ATOM 2019 C CE1 PHE 102 . . E 3 14.565 60.979 16.484 1.00 25.78 ? CE1 PHE 102 A 1 +ATOM 2020 C CE2 PHE 102 . . E 3 16.836 61.075 17.197 1.00 28.19 ? CE2 PHE 102 A 1 +ATOM 2021 C CZ PHE 102 . . E 3 15.816 60.372 16.646 1.00 25.6 ? CZ PHE 102 A 1 +ATOM 2022 N N ARG 103 . . E 3 16.073 64.260 20.806 1.00 33.19 ? N ARG 103 A 1 +ATOM 2023 C CA ARG 103 . . E 3 16.729 63.605 21.947 1.00 37.05 ? CA ARG 103 A 1 +ATOM 2024 C C ARG 103 . . E 3 15.728 63.449 23.119 1.00 43.35 ? C ARG 103 A 1 +ATOM 2025 O O ARG 103 . . E 3 15.731 62.435 23.839 1.00 43.03 ? O ARG 103 A 1 +ATOM 2026 C CB ARG 103 . . E 3 17.916 64.432 22.421 1.00 33 ? CB ARG 103 A 1 +ATOM 2027 C CG ARG 103 . . E 3 18.814 64.818 21.332 1.00 24.18 ? CG ARG 103 A 1 +ATOM 2028 C CD ARG 103 . . E 3 19.932 65.615 21.893 1.00 28.95 ? CD ARG 103 A 1 +ATOM 2029 N NE ARG 103 . . E 3 20.518 66.415 20.820 1.00 35.23 ? NE ARG 103 A 1 +ATOM 2030 C CZ ARG 103 . . E 3 21.816 66.637 20.659 1.00 29.7 ? CZ ARG 103 A 1 +ATOM 2031 N NH1 ARG 103 . . E 3 22.710 66.122 21.495 1.00 30.43 ? NH1 ARG 103 A 1 +ATOM 2032 N NH2 ARG 103 . . E 3 22.221 67.395 19.658 1.00 38.48 ? NH2 ARG 103 A 1 +ATOM 2033 N N GLN 104 . . E 3 14.892 64.474 23.302 1.00 36.81 ? N GLN 104 A 1 +ATOM 2034 C CA GLN 104 . . E 3 13.846 64.470 24.308 1.00 35.02 ? CA GLN 104 A 1 +ATOM 2035 C C GLN 104 . . E 3 12.879 63.373 23.940 1.00 32.89 ? C GLN 104 A 1 +ATOM 2036 O O GLN 104 . . E 3 12.262 62.769 24.786 1.00 36.28 ? O GLN 104 A 1 +ATOM 2037 C CB GLN 104 . . E 3 13.140 65.842 24.331 1.00 45.28 ? CB GLN 104 A 1 +ATOM 2038 C CG GLN 104 . . E 3 13.956 66.951 25.042 1.00 47.48 ? CG GLN 104 A 1 +ATOM 2039 C CD GLN 104 . . E 3 13.487 68.386 24.755 1.00 53.21 ? CD GLN 104 A 1 +ATOM 2040 O OE1 GLN 104 . . E 3 12.301 68.727 24.868 1.00 48.25 ? OE1 GLN 104 A 1 +ATOM 2041 N NE2 GLN 104 . . E 3 14.444 69.236 24.383 1.00 52.3 ? NE2 GLN 104 A 1 +ATOM 2042 N N LEU 105 . . E 3 12.758 63.127 22.649 1.00 33.82 ? N LEU 105 A 1 +ATOM 2043 C CA LEU 105 . . E 3 11.908 62.077 22.132 1.00 34.59 ? CA LEU 105 A 1 +ATOM 2044 C C LEU 105 . . E 3 12.575 60.723 22.230 1.00 37.42 ? C LEU 105 A 1 +ATOM 2045 O O LEU 105 . . E 3 11.919 59.709 21.962 1.00 42.68 ? O LEU 105 A 1 +ATOM 2046 C CB LEU 105 . . E 3 11.579 62.342 20.677 1.00 45.85 ? CB LEU 105 A 1 +ATOM 2047 C CG LEU 105 . . E 3 10.730 63.542 20.304 1.00 43.79 ? CG LEU 105 A 1 +ATOM 2048 C CD1 LEU 105 . . E 3 10.920 63.884 18.835 1.00 50.06 ? CD1 LEU 105 A 1 +ATOM 2049 C CD2 LEU 105 . . E 3 9.304 63.229 20.645 1.00 43.91 ? CD2 LEU 105 A 1 +ATOM 2050 N N ILE 106 . . E 3 13.868 60.699 22.563 1.00 40.48 ? N ILE 106 A 1 +ATOM 2051 C CA ILE 106 . . E 3 14.614 59.434 22.677 1.00 42.64 ? CA ILE 106 A 1 +ATOM 2052 C C ILE 106 . . E 3 14.595 58.810 24.083 1.00 47.81 ? C ILE 106 A 1 +ATOM 2053 O O ILE 106 . . E 3 14.244 57.625 24.228 1.00 51.24 ? O ILE 106 A 1 +ATOM 2054 C CB ILE 106 . . E 3 16.105 59.544 22.372 1.00 36.82 ? CB ILE 106 A 1 +ATOM 2055 C CG1 ILE 106 . . E 3 16.359 60.281 21.078 1.00 41.93 ? CG1 ILE 106 A 1 +ATOM 2056 C CG2 ILE 106 . . E 3 16.661 58.133 22.176 1.00 42.11 ? CG2 ILE 106 A 1 +ATOM 2057 C CD1 ILE 106 . . E 3 17.837 60.397 20.805 1.00 39.03 ? CD1 ILE 106 A 1 +ATOM 2058 N N GLN 107 . . E 3 15.003 59.590 25.098 1.00 47.45 ? N GLN 107 A 1 +ATOM 2059 C CA GLN 107 . . E 3 15.083 59.127 26.491 1.00 44.95 ? CA GLN 107 A 1 +ATOM 2060 C C GLN 107 . . E 3 13.720 58.642 27.008 1.00 41.91 ? C GLN 107 A 1 +ATOM 2061 O O GLN 107 . . E 3 13.572 58.302 28.181 1.00 47.41 ? O GLN 107 A 1 +ATOM 2062 C CB GLN 107 . . E 3 15.637 60.284 27.346 1.00 52.08 ? CB GLN 107 A 1 +ATOM 2063 C CG GLN 107 . . E 3 16.568 59.913 28.541 1.00 52.32 ? CG GLN 107 A 1 +ATOM 2064 C CD GLN 107 . . E 3 15.862 59.661 29.885 1.00 55 ? CD GLN 107 A 1 +ATOM 2065 O OE1 GLN 107 . . E 3 16.185 58.702 30.591 1.00 52.6 ? OE1 GLN 107 A 1 +ATOM 2066 N NE2 GLN 107 . . E 3 14.917 60.537 30.251 1.00 52.61 ? NE2 GLN 107 A 1 +ATOM 2067 N N VAL 108 . . E 3 12.712 58.676 26.142 1.00 38.72 ? N VAL 108 A 1 +ATOM 2068 C CA VAL 108 . . E 3 11.360 58.338 26.538 1.00 41.32 ? CA VAL 108 A 1 +ATOM 2069 C C VAL 108 . . E 3 11.091 56.989 25.817 1.00 48.15 ? C VAL 108 A 1 +ATOM 2070 O O VAL 108 . . E 3 11.154 55.962 26.480 1.00 52.87 ? O VAL 108 A 1 +ATOM 2071 C CB VAL 108 . . E 3 10.315 59.411 26.071 1.00 47.46 ? CB VAL 108 A 1 +ATOM 2072 C CG1 VAL 108 . . E 3 8.914 59.040 26.584 1.00 52.09 ? CG1 VAL 108 A 1 +ATOM 2073 C CG2 VAL 108 . . E 3 10.692 60.777 26.618 1.00 50.35 ? CG2 VAL 108 A 1 +ATOM 2074 N N ASN 109 . . E 3 10.869 56.931 24.496 1.00 51.35 ? N ASN 109 A 1 +ATOM 2075 C CA ASN 109 . . E 3 10.745 55.637 23.727 1.00 50.46 ? CA ASN 109 A 1 +ATOM 2076 C C ASN 109 . . E 3 11.969 55.350 22.877 1.00 46.8 ? C ASN 109 A 1 +ATOM 2077 O O ASN 109 . . E 3 12.034 55.776 21.729 1.00 52.04 ? O ASN 109 A 1 +ATOM 2078 C CB ASN 109 . . E 3 9.546 55.532 22.769 1.00 54.74 ? CB ASN 109 A 1 +ATOM 2079 C CG ASN 109 . . E 3 9.575 54.228 21.942 1.00 55 ? CG ASN 109 A 1 +ATOM 2080 O OD1 ASN 109 . . E 3 10.471 53.395 22.102 1.00 50.39 ? OD1 ASN 109 A 1 +ATOM 2081 N ND2 ASN 109 . . E 3 8.596 54.056 21.062 1.00 55 ? ND2 ASN 109 A 1 +ATOM 2082 N N PRO 110 . . E 3 12.902 54.537 23.380 1.00 47.69 ? N PRO 110 A 1 +ATOM 2083 C CA PRO 110 . . E 3 14.184 54.312 22.696 1.00 45.67 ? CA PRO 110 A 1 +ATOM 2084 C C PRO 110 . . E 3 14.043 53.766 21.261 1.00 43.39 ? C PRO 110 A 1 +ATOM 2085 O O PRO 110 . . E 3 14.993 53.821 20.470 1.00 38.25 ? O PRO 110 A 1 +ATOM 2086 C CB PRO 110 . . E 3 14.914 53.371 23.652 1.00 44.78 ? CB PRO 110 A 1 +ATOM 2087 C CG PRO 110 . . E 3 13.754 52.501 24.152 1.00 43.86 ? CG PRO 110 A 1 +ATOM 2088 C CD PRO 110 . . E 3 12.804 53.626 24.564 1.00 46.08 ? CD PRO 110 A 1 +ATOM 2089 N N ASP 111 . . E 3 12.848 53.311 20.904 1.00 37.97 ? N ASP 111 A 1 +ATOM 2090 C CA ASP 111 . . E 3 12.653 52.671 19.625 1.00 39.63 ? CA ASP 111 A 1 +ATOM 2091 C C ASP 111 . . E 3 13.221 53.406 18.418 1.00 44.48 ? C ASP 111 A 1 +ATOM 2092 O O ASP 111 . . E 3 14.062 52.808 17.717 1.00 39.4 ? O ASP 111 A 1 +ATOM 2093 C CB ASP 111 . . E 3 11.161 52.423 19.393 1.00 48.25 ? CB ASP 111 A 1 +ATOM 2094 C CG ASP 111 . . E 3 10.895 51.126 18.591 1.00 48.08 ? CG ASP 111 A 1 +ATOM 2095 O OD1 ASP 111 . . E 3 11.851 50.322 18.419 1.00 43.79 ? OD1 ASP 111 A 1 +ATOM 2096 O OD2 ASP 111 . . E 3 9.738 50.901 18.145 1.00 47.39 ? OD2 ASP 111 A 1 +ATOM 2097 N N ILE 112 . . E 3 12.816 54.667 18.167 1.00 48.35 ? N ILE 112 A 1 +ATOM 2098 C CA ILE 112 . . E 3 13.295 55.373 16.956 1.00 44.75 ? CA ILE 112 A 1 +ATOM 2099 C C ILE 112 . . E 3 14.773 55.701 16.961 1.00 41.87 ? C ILE 112 A 1 +ATOM 2100 O O ILE 112 . . E 3 15.311 55.940 15.867 1.00 48.94 ? O ILE 112 A 1 +ATOM 2101 C CB ILE 112 . . E 3 12.531 56.748 16.647 1.00 36.77 ? CB ILE 112 A 1 +ATOM 2102 C CG1 ILE 112 . . E 3 12.367 57.586 17.918 1.00 37.3 ? CG1 ILE 112 A 1 +ATOM 2103 C CG2 ILE 112 . . E 3 11.223 56.426 15.958 1.00 34.08 ? CG2 ILE 112 A 1 +ATOM 2104 C CD1 ILE 112 . . E 3 13.649 58.261 18.423 1.00 36.8 ? CD1 ILE 112 A 1 +ATOM 2105 N N LEU 113 . . E 3 15.446 55.745 18.113 1.00 31.61 ? N LEU 113 A 1 +ATOM 2106 C CA LEU 113 . . E 3 16.881 55.939 17.971 1.00 27.12 ? CA LEU 113 A 1 +ATOM 2107 C C LEU 113 . . E 3 17.323 54.705 17.234 1.00 27.97 ? C LEU 113 A 1 +ATOM 2108 O O LEU 113 . . E 3 18.153 54.775 16.328 1.00 25.44 ? O LEU 113 A 1 +ATOM 2109 C CB LEU 113 . . E 3 17.656 55.983 19.294 1.00 22.58 ? CB LEU 113 A 1 +ATOM 2110 C CG LEU 113 . . E 3 19.141 56.235 18.988 1.00 18.06 ? CG LEU 113 A 1 +ATOM 2111 C CD1 LEU 113 . . E 3 19.228 57.151 17.782 1.00 19.08 ? CD1 LEU 113 A 1 +ATOM 2112 C CD2 LEU 113 . . E 3 19.853 56.889 20.172 1.00 20.1 ? CD2 LEU 113 A 1 +ATOM 2113 N N MET 114 . . E 3 16.709 53.581 17.605 1.00 26.77 ? N MET 114 A 1 +ATOM 2114 C CA MET 114 . . E 3 17.028 52.332 16.953 1.00 30.66 ? CA MET 114 A 1 +ATOM 2115 C C MET 114 . . E 3 16.657 52.385 15.517 1.00 32.97 ? C MET 114 A 1 +ATOM 2116 O O MET 114 . . E 3 17.494 52.024 14.703 1.00 45.97 ? O MET 114 A 1 +ATOM 2117 C CB MET 114 . . E 3 16.300 51.130 17.575 1.00 33.3 ? CB MET 114 A 1 +ATOM 2118 C CG MET 114 . . E 3 17.002 50.465 18.783 1.00 37.71 ? CG MET 114 A 1 +ATOM 2119 S SD MET 114 . . E 3 18.657 49.730 18.472 1.00 45.94 ? SD MET 114 A 1 +ATOM 2120 C CE MET 114 . . E 3 18.267 48.085 17.927 1.00 48.02 ? CE MET 114 A 1 +ATOM 2121 N N ARG 115 . . E 3 15.449 52.827 15.170 1.00 34.44 ? N ARG 115 A 1 +ATOM 2122 C CA ARG 115 . . E 3 15.096 52.839 13.735 1.00 34.05 ? CA ARG 115 A 1 +ATOM 2123 C C ARG 115 . . E 3 15.974 53.780 12.918 1.00 25.98 ? C ARG 115 A 1 +ATOM 2124 O O ARG 115 . . E 3 16.183 53.550 11.743 1.00 28.7 ? O ARG 115 A 1 +ATOM 2125 C CB ARG 115 . . E 3 13.595 53.211 13.520 1.00 28.57 ? CB ARG 115 A 1 +ATOM 2126 C CG ARG 115 . . E 3 12.626 51.996 13.837 1.00 24.98 ? CG ARG 115 A 1 +ATOM 2127 C CD ARG 115 . . E 3 11.093 52.206 13.574 1.00 27.12 ? CD ARG 115 A 1 +ATOM 2128 N NE ARG 115 . . E 3 10.280 51.531 14.598 1.00 28.89 ? NE ARG 115 A 1 +ATOM 2129 C CZ ARG 115 . . E 3 8.998 51.138 14.498 1.00 35.35 ? CZ ARG 115 A 1 +ATOM 2130 N NH1 ARG 115 . . E 3 8.269 51.314 13.393 1.00 27.17 ? NH1 ARG 115 A 1 +ATOM 2131 N NH2 ARG 115 . . E 3 8.405 50.582 15.559 1.00 34.01 ? NH2 ARG 115 A 1 +ATOM 2132 N N LEU 116 . . E 3 16.528 54.815 13.517 1.00 25.4 ? N LEU 116 A 1 +ATOM 2133 C CA LEU 116 . . E 3 17.410 55.673 12.750 1.00 20.29 ? CA LEU 116 A 1 +ATOM 2134 C C LEU 116 . . E 3 18.768 54.960 12.568 1.00 27.21 ? C LEU 116 A 1 +ATOM 2135 O O LEU 116 . . E 3 19.220 54.727 11.451 1.00 37.2 ? O LEU 116 A 1 +ATOM 2136 C CB LEU 116 . . E 3 17.569 56.990 13.497 1.00 24.72 ? CB LEU 116 A 1 +ATOM 2137 C CG LEU 116 . . E 3 18.483 58.072 12.934 1.00 27.81 ? CG LEU 116 A 1 +ATOM 2138 C CD1 LEU 116 . . E 3 17.667 59.205 12.381 1.00 33.13 ? CD1 LEU 116 A 1 +ATOM 2139 C CD2 LEU 116 . . E 3 19.365 58.610 14.058 1.00 30.23 ? CD2 LEU 116 A 1 +ATOM 2140 N N SER 117 . . E 3 19.415 54.578 13.662 1.00 38.07 ? N SER 117 A 1 +ATOM 2141 C CA SER 117 . . E 3 20.719 53.884 13.625 1.00 36.79 ? CA SER 117 A 1 +ATOM 2142 C C SER 117 . . E 3 20.775 52.740 12.617 1.00 37.19 ? C SER 117 A 1 +ATOM 2143 O O SER 117 . . E 3 21.813 52.478 11.992 1.00 42.34 ? O SER 117 A 1 +ATOM 2144 C CB SER 117 . . E 3 21.069 53.295 14.996 1.00 38.67 ? CB SER 117 A 1 +ATOM 2145 O OG SER 117 . . E 3 21.440 54.306 15.913 1.00 36.02 ? OG SER 117 A 1 +ATOM 2146 N N ALA 118 . . E 3 19.663 52.040 12.476 1.00 22.6 ? N ALA 118 A 1 +ATOM 2147 C CA ALA 118 . . E 3 19.629 50.945 11.554 1.00 19.84 ? CA ALA 118 A 1 +ATOM 2148 C C ALA 118 . . E 3 19.901 51.440 10.131 1.00 22.4 ? C ALA 118 A 1 +ATOM 2149 O O ALA 118 . . E 3 20.735 50.855 9.421 1.00 27.22 ? O ALA 118 A 1 +ATOM 2150 C CB ALA 118 . . E 3 18.265 50.268 11.648 1.00 24.15 ? CB ALA 118 A 1 +ATOM 2151 N N GLN 119 . . E 3 19.221 52.526 9.727 1.00 28.22 ? N GLN 119 A 1 +ATOM 2152 C CA GLN 119 . . E 3 19.362 53.105 8.372 1.00 24.21 ? CA GLN 119 A 1 +ATOM 2153 C C GLN 119 . . E 3 20.757 53.580 8.133 1.00 23.19 ? C GLN 119 A 1 +ATOM 2154 O O GLN 119 . . E 3 21.231 53.510 7.012 1.00 30.33 ? O GLN 119 A 1 +ATOM 2155 C CB GLN 119 . . E 3 18.427 54.288 8.166 1.00 18.3 ? CB GLN 119 A 1 +ATOM 2156 C CG GLN 119 . . E 3 16.947 53.888 8.132 1.00 17.35 ? CG GLN 119 A 1 +ATOM 2157 C CD GLN 119 . . E 3 16.015 55.084 8.034 1.00 14.29 ? CD GLN 119 A 1 +ATOM 2158 O OE1 GLN 119 . . E 3 16.451 56.249 7.981 1.00 17.8 ? OE1 GLN 119 A 1 +ATOM 2159 N NE2 GLN 119 . . E 3 14.723 54.806 7.998 1.00 7.09 ? NE2 GLN 119 A 1 +ATOM 2160 N N MET 120 . . E 3 21.414 54.052 9.186 1.00 19.53 ? N MET 120 A 1 +ATOM 2161 C CA MET 120 . . E 3 22.786 54.523 9.091 1.00 14.14 ? CA MET 120 A 1 +ATOM 2162 C C MET 120 . . E 3 23.732 53.344 9.010 1.00 14.33 ? C MET 120 A 1 +ATOM 2163 O O MET 120 . . E 3 24.902 53.517 8.733 1.00 24.43 ? O MET 120 A 1 +ATOM 2164 C CB MET 120 . . E 3 23.191 55.363 10.317 1.00 19.81 ? CB MET 120 A 1 +ATOM 2165 C CG MET 120 . . E 3 22.223 56.439 10.763 1.00 19.08 ? CG MET 120 A 1 +ATOM 2166 S SD MET 120 . . E 3 23.222 57.697 11.506 1.00 23.1 ? SD MET 120 A 1 +ATOM 2167 C CE MET 120 . . E 3 23.537 57.081 13.075 1.00 10.79 ? CE MET 120 A 1 +ATOM 2168 N N ALA 121 . . E 3 23.259 52.145 9.311 1.00 20.5 ? N ALA 121 A 1 +ATOM 2169 C CA ALA 121 . . E 3 24.121 50.970 9.204 1.00 18.62 ? CA ALA 121 A 1 +ATOM 2170 C C ALA 121 . . E 3 24.156 50.560 7.731 1.00 18.96 ? C ALA 121 A 1 +ATOM 2171 O O ALA 121 . . E 3 25.211 50.337 7.152 1.00 15.12 ? O ALA 121 A 1 +ATOM 2172 C CB ALA 121 . . E 3 23.560 49.851 10.061 1.00 17.1 ? CB ALA 121 A 1 +ATOM 2173 N N ARG 122 . . E 3 22.987 50.464 7.119 1.00 20.5 ? N ARG 122 A 1 +ATOM 2174 C CA ARG 122 . . E 3 22.920 50.153 5.698 1.00 18.16 ? CA ARG 122 A 1 +ATOM 2175 C C ARG 122 . . E 3 23.799 51.131 4.940 1.00 21.1 ? C ARG 122 A 1 +ATOM 2176 O O ARG 122 . . E 3 24.712 50.739 4.200 1.00 27.08 ? O ARG 122 A 1 +ATOM 2177 C CB ARG 122 . . E 3 21.519 50.315 5.131 1.00 26.23 ? CB ARG 122 A 1 +ATOM 2178 C CG ARG 122 . . E 3 20.632 49.118 4.997 1.00 32.55 ? CG ARG 122 A 1 +ATOM 2179 C CD ARG 122 . . E 3 21.245 48.032 4.128 1.00 36.45 ? CD ARG 122 A 1 +ATOM 2180 N NE ARG 122 . . E 3 22.133 47.193 4.924 1.00 29.17 ? NE ARG 122 A 1 +ATOM 2181 C CZ ARG 122 . . E 3 21.705 46.407 5.904 1.00 31.31 ? CZ ARG 122 A 1 +ATOM 2182 N NH1 ARG 122 . . E 3 20.404 46.360 6.189 1.00 15.69 ? NH1 ARG 122 A 1 +ATOM 2183 N NH2 ARG 122 . . E 3 22.574 45.687 6.608 1.00 34.39 ? NH2 ARG 122 A 1 +ATOM 2184 N N ARG 123 . . E 3 23.537 52.422 5.137 1.00 13.99 ? N ARG 123 A 1 +ATOM 2185 C CA ARG 123 . . E 3 24.270 53.428 4.383 1.00 6 ? CA ARG 123 A 1 +ATOM 2186 C C ARG 123 . . E 3 25.763 53.258 4.407 1.00 6 ? C ARG 123 A 1 +ATOM 2187 O O ARG 123 . . E 3 26.442 53.500 3.420 1.00 15.85 ? O ARG 123 A 1 +ATOM 2188 C CB ARG 123 . . E 3 23.933 54.805 4.895 1.00 6 ? CB ARG 123 A 1 +ATOM 2189 C CG ARG 123 . . E 3 22.506 55.089 4.676 1.00 6 ? CG ARG 123 A 1 +ATOM 2190 C CD ARG 123 . . E 3 22.106 56.403 5.197 1.00 10.26 ? CD ARG 123 A 1 +ATOM 2191 N NE ARG 123 . . E 3 20.651 56.496 5.193 1.00 13.27 ? NE ARG 123 A 1 +ATOM 2192 C CZ ARG 123 . . E 3 20.015 57.592 5.590 1.00 13.62 ? CZ ARG 123 A 1 +ATOM 2193 N NH1 ARG 123 . . E 3 20.722 58.637 6.011 1.00 14.69 ? NH1 ARG 123 A 1 +ATOM 2194 N NH2 ARG 123 . . E 3 18.689 57.658 5.531 1.00 16.88 ? NH2 ARG 123 A 1 +ATOM 2195 N N LEU 124 . . E 3 26.319 52.814 5.505 1.00 9.91 ? N LEU 124 A 1 +ATOM 2196 C CA LEU 124 . . E 3 27.761 52.718 5.489 1.00 11.28 ? CA LEU 124 A 1 +ATOM 2197 C C LEU 124 . . E 3 28.113 51.476 4.713 1.00 10.41 ? C LEU 124 A 1 +ATOM 2198 O O LEU 124 . . E 3 29.233 51.355 4.194 1.00 16.33 ? O LEU 124 A 1 +ATOM 2199 C CB LEU 124 . . E 3 28.307 52.645 6.931 1.00 6.34 ? CB LEU 124 A 1 +ATOM 2200 C CG LEU 124 . . E 3 29.815 52.737 7.161 1.00 12.65 ? CG LEU 124 A 1 +ATOM 2201 C CD1 LEU 124 . . E 3 30.422 54.077 6.678 1.00 6 ? CD1 LEU 124 A 1 +ATOM 2202 C CD2 LEU 124 . . E 3 30.005 52.537 8.664 1.00 16 ? CD2 LEU 124 A 1 +ATOM 2203 N N GLN 125 . . E 3 27.190 50.518 4.660 1.00 7.92 ? N GLN 125 A 1 +ATOM 2204 C CA GLN 125 . . E 3 27.510 49.324 3.878 1.00 8.94 ? CA GLN 125 A 1 +ATOM 2205 C C GLN 125 . . E 3 27.444 49.722 2.431 1.00 8.42 ? C GLN 125 A 1 +ATOM 2206 O O GLN 125 . . E 3 28.398 49.513 1.683 1.00 17.44 ? O GLN 125 A 1 +ATOM 2207 C CB GLN 125 . . E 3 26.517 48.203 4.105 1.00 15.87 ? CB GLN 125 A 1 +ATOM 2208 C CG GLN 125 . . E 3 26.741 47.346 5.288 1.00 16.47 ? CG GLN 125 A 1 +ATOM 2209 C CD GLN 125 . . E 3 25.516 46.564 5.541 1.00 15.39 ? CD GLN 125 A 1 +ATOM 2210 O OE1 GLN 125 . . E 3 24.528 47.149 5.871 1.00 21.61 ? OE1 GLN 125 A 1 +ATOM 2211 N NE2 GLN 125 . . E 3 25.545 45.247 5.346 1.00 28.19 ? NE2 GLN 125 A 1 +ATOM 2212 N N VAL 126 . . E 3 26.347 50.346 2.042 1.00 6 ? N VAL 126 A 1 +ATOM 2213 C CA VAL 126 . . E 3 26.253 50.702 0.670 1.00 6 ? CA VAL 126 A 1 +ATOM 2214 C C VAL 126 . . E 3 27.383 51.622 0.227 1.00 8.1 ? C VAL 126 A 1 +ATOM 2215 O O VAL 126 . . E 3 27.978 51.406 -0.846 1.00 17.67 ? O VAL 126 A 1 +ATOM 2216 C CB VAL 126 . . E 3 24.928 51.357 0.416 1.00 6 ? CB VAL 126 A 1 +ATOM 2217 C CG1 VAL 126 . . E 3 24.803 51.780 -1.051 1.00 13.12 ? CG1 VAL 126 A 1 +ATOM 2218 C CG2 VAL 126 . . E 3 23.849 50.360 0.749 1.00 7.74 ? CG2 VAL 126 A 1 +ATOM 2219 N N THR 127 . . E 3 27.721 52.604 1.052 1.00 6 ? N THR 127 A 1 +ATOM 2220 C CA THR 127 . . E 3 28.733 53.532 0.690 1.00 6 ? CA THR 127 A 1 +ATOM 2221 C C THR 127 . . E 3 30.055 52.911 0.657 1.00 6 ? C THR 127 A 1 +ATOM 2222 O O THR 127 . . E 3 30.918 53.374 -0.087 1.00 13.11 ? O THR 127 A 1 +ATOM 2223 C CB THR 127 . . E 3 28.745 54.701 1.657 1.00 11.39 ? CB THR 127 A 1 +ATOM 2224 O OG1 THR 127 . . E 3 27.427 55.255 1.683 1.00 13.01 ? OG1 THR 127 A 1 +ATOM 2225 C CG2 THR 127 . . E 3 29.694 55.832 1.192 1.00 6 ? CG2 THR 127 A 1 +ATOM 2226 N N SER 128 . . E 3 30.259 51.878 1.462 1.00 12.31 ? N SER 128 A 1 +ATOM 2227 C CA SER 128 . . E 3 31.563 51.178 1.477 1.00 14.09 ? CA SER 128 A 1 +ATOM 2228 C C SER 128 . . E 3 31.762 50.427 0.187 1.00 10.53 ? C SER 128 A 1 +ATOM 2229 O O SER 128 . . E 3 32.861 50.334 -0.308 1.00 6 ? O SER 128 A 1 +ATOM 2230 C CB SER 128 . . E 3 31.655 50.170 2.631 1.00 10.98 ? CB SER 128 A 1 +ATOM 2231 O OG SER 128 . . E 3 31.974 50.830 3.844 1.00 14.25 ? OG SER 128 A 1 +ATOM 2232 N N GLU 129 . . E 3 30.650 49.883 -0.309 1.00 20.35 ? N GLU 129 A 1 +ATOM 2233 C CA GLU 129 . . E 3 30.589 49.141 -1.543 1.00 23.84 ? CA GLU 129 A 1 +ATOM 2234 C C GLU 129 . . E 3 30.949 50.110 -2.668 1.00 22.94 ? C GLU 129 A 1 +ATOM 2235 O O GLU 129 . . E 3 31.856 49.806 -3.488 1.00 22.27 ? O GLU 129 A 1 +ATOM 2236 C CB GLU 129 . . E 3 29.173 48.588 -1.726 1.00 23.35 ? CB GLU 129 A 1 +ATOM 2237 C CG GLU 129 . . E 3 28.958 47.628 -2.886 1.00 25.33 ? CG GLU 129 A 1 +ATOM 2238 C CD GLU 129 . . E 3 27.500 47.672 -3.411 1.00 40.56 ? CD GLU 129 A 1 +ATOM 2239 O OE1 GLU 129 . . E 3 26.597 48.146 -2.682 1.00 38.47 ? OE1 GLU 129 A 1 +ATOM 2240 O OE2 GLU 129 . . E 3 27.238 47.256 -4.573 1.00 47.9 ? OE2 GLU 129 A 1 +ATOM 2241 N N LYS 130 . . E 3 30.272 51.270 -2.686 1.00 9.38 ? N LYS 130 A 1 +ATOM 2242 C CA LYS 130 . . E 3 30.550 52.281 -3.708 1.00 7.04 ? CA LYS 130 A 1 +ATOM 2243 C C LYS 130 . . E 3 32.003 52.608 -3.794 1.00 7.28 ? C LYS 130 A 1 +ATOM 2244 O O LYS 130 . . E 3 32.503 52.849 -4.882 1.00 13.23 ? O LYS 130 A 1 +ATOM 2245 C CB LYS 130 . . E 3 29.827 53.602 -3.455 1.00 8.63 ? CB LYS 130 A 1 +ATOM 2246 C CG LYS 130 . . E 3 30.187 54.652 -4.516 1.00 12.81 ? CG LYS 130 A 1 +ATOM 2247 C CD LYS 130 . . E 3 29.368 55.948 -4.450 1.00 16.18 ? CD LYS 130 A 1 +ATOM 2248 C CE LYS 130 . . E 3 27.935 55.780 -4.926 1.00 12.95 ? CE LYS 130 A 1 +ATOM 2249 N NZ LYS 130 . . E 3 27.781 56.616 -6.148 1.00 22.3 ? NZ LYS 130 A 1 +ATOM 2250 N N VAL 131 . . E 3 32.684 52.656 -2.652 1.00 8.09 ? N VAL 131 A 1 +ATOM 2251 C CA VAL 131 . . E 3 34.114 52.926 -2.690 1.00 7.49 ? CA VAL 131 A 1 +ATOM 2252 C C VAL 131 . . E 3 34.848 51.662 -3.126 1.00 8.99 ? C VAL 131 A 1 +ATOM 2253 O O VAL 131 . . E 3 36.014 51.685 -3.466 1.00 19.06 ? O VAL 131 A 1 +ATOM 2254 C CB VAL 131 . . E 3 34.600 53.392 -1.305 1.00 6 ? CB VAL 131 A 1 +ATOM 2255 C CG1 VAL 131 . . E 3 36.077 53.814 -1.366 1.00 6 ? CG1 VAL 131 A 1 +ATOM 2256 C CG2 VAL 131 . . E 3 33.742 54.559 -0.858 1.00 6 ? CG2 VAL 131 A 1 +ATOM 2257 N N GLY 132 . . E 3 34.178 50.519 -3.073 1.00 11.39 ? N GLY 132 A 1 +ATOM 2258 C CA GLY 132 . . E 3 34.810 49.342 -3.623 1.00 6.63 ? CA GLY 132 A 1 +ATOM 2259 C C GLY 132 . . E 3 34.719 49.479 -5.150 1.00 13.79 ? C GLY 132 A 1 +ATOM 2260 O O GLY 132 . . E 3 35.727 49.433 -5.891 1.00 6 ? O GLY 132 A 1 +ATOM 2261 N N ASN 133 . . E 3 33.493 49.698 -5.632 1.00 13.46 ? N ASN 133 A 1 +ATOM 2262 C CA ASN 133 . . E 3 33.268 49.866 -7.061 1.00 15.82 ? CA ASN 133 A 1 +ATOM 2263 C C ASN 133 . . E 3 34.171 50.944 -7.692 1.00 15.49 ? C ASN 133 A 1 +ATOM 2264 O O ASN 133 . . E 3 34.839 50.661 -8.681 1.00 23.4 ? O ASN 133 A 1 +ATOM 2265 C CB ASN 133 . . E 3 31.793 50.185 -7.281 1.00 16.61 ? CB ASN 133 A 1 +ATOM 2266 C CG ASN 133 . . E 3 30.907 49.006 -6.889 1.00 28 ? CG ASN 133 A 1 +ATOM 2267 O OD1 ASN 133 . . E 3 31.415 47.957 -6.479 1.00 32.39 ? OD1 ASN 133 A 1 +ATOM 2268 N ND2 ASN 133 . . E 3 29.592 49.165 -7.004 1.00 21.42 ? ND2 ASN 133 A 1 +ATOM 2269 N N LEU 134 . . E 3 34.261 52.142 -7.130 1.00 14.32 ? N LEU 134 A 1 +ATOM 2270 C CA LEU 134 . . E 3 35.111 53.170 -7.727 1.00 6 ? CA LEU 134 A 1 +ATOM 2271 C C LEU 134 . . E 3 36.531 52.736 -7.784 1.00 6 ? C LEU 134 A 1 +ATOM 2272 O O LEU 134 . . E 3 37.214 52.973 -8.747 1.00 6 ? O LEU 134 A 1 +ATOM 2273 C CB LEU 134 . . E 3 35.015 54.456 -6.923 1.00 6.52 ? CB LEU 134 A 1 +ATOM 2274 C CG LEU 134 . . E 3 33.641 55.101 -7.002 1.00 6 ? CG LEU 134 A 1 +ATOM 2275 C CD1 LEU 134 . . E 3 33.357 56.084 -5.916 1.00 6 ? CD1 LEU 134 A 1 +ATOM 2276 C CD2 LEU 134 . . E 3 33.643 55.812 -8.335 1.00 8.39 ? CD2 LEU 134 A 1 +ATOM 2277 N N ALA 135 . . E 3 36.988 52.081 -6.744 1.00 6 ? N ALA 135 A 1 +ATOM 2278 C CA ALA 135 . . E 3 38.371 51.661 -6.713 1.00 7.49 ? CA ALA 135 A 1 +ATOM 2279 C C ALA 135 . . E 3 38.695 50.369 -7.487 1.00 13.28 ? C ALA 135 A 1 +ATOM 2280 O O ALA 135 . . E 3 39.851 50.177 -7.925 1.00 10.07 ? O ALA 135 A 1 +ATOM 2281 C CB ALA 135 . . E 3 38.788 51.493 -5.287 1.00 8.22 ? CB ALA 135 A 1 +ATOM 2282 N N PHE 136 . . E 3 37.733 49.463 -7.644 1.00 11.22 ? N PHE 136 A 1 +ATOM 2283 C CA PHE 136 . . E 3 38.050 48.207 -8.336 1.00 12.27 ? CA PHE 136 A 1 +ATOM 2284 C C PHE 136 . . E 3 37.510 48.069 -9.758 1.00 18.15 ? C PHE 136 A 1 +ATOM 2285 O O PHE 136 . . E 3 38.240 47.615 -10.625 1.00 20.61 ? O PHE 136 A 1 +ATOM 2286 C CB PHE 136 . . E 3 37.527 47.002 -7.554 1.00 15.98 ? CB PHE 136 A 1 +ATOM 2287 C CG PHE 136 . . E 3 38.115 46.833 -6.169 1.00 9.7 ? CG PHE 136 A 1 +ATOM 2288 C CD1 PHE 136 . . E 3 39.408 47.235 -5.890 1.00 6 ? CD1 PHE 136 A 1 +ATOM 2289 C CD2 PHE 136 . . E 3 37.351 46.237 -5.170 1.00 8.62 ? CD2 PHE 136 A 1 +ATOM 2290 C CE1 PHE 136 . . E 3 39.936 47.057 -4.674 1.00 10.48 ? CE1 PHE 136 A 1 +ATOM 2291 C CE2 PHE 136 . . E 3 37.867 46.050 -3.940 1.00 15.19 ? CE2 PHE 136 A 1 +ATOM 2292 C CZ PHE 136 . . E 3 39.170 46.463 -3.679 1.00 7.26 ? CZ PHE 136 A 1 +ATOM 2293 N N LEU 137 . . E 3 36.246 48.412 -10.001 1.00 14.88 ? N LEU 137 A 1 +ATOM 2294 C CA LEU 137 . . E 3 35.623 48.245 -11.330 1.00 14.02 ? CA LEU 137 A 1 +ATOM 2295 C C LEU 137 . . E 3 36.005 49.277 -12.358 1.00 16.69 ? C LEU 137 A 1 +ATOM 2296 O O LEU 137 . . E 3 36.425 50.377 -12.007 1.00 18.42 ? O LEU 137 A 1 +ATOM 2297 C CB LEU 137 . . E 3 34.095 48.285 -11.246 1.00 13.92 ? CB LEU 137 A 1 +ATOM 2298 C CG LEU 137 . . E 3 33.285 46.992 -11.118 1.00 18.52 ? CG LEU 137 A 1 +ATOM 2299 C CD1 LEU 137 . . E 3 34.235 45.819 -11.204 1.00 13.9 ? CD1 LEU 137 A 1 +ATOM 2300 C CD2 LEU 137 . . E 3 32.528 46.974 -9.862 1.00 10.79 ? CD2 LEU 137 A 1 +ATOM 2301 N N ASP 138 . . E 3 35.892 48.909 -13.638 1.00 18.47 ? N ASP 138 A 1 +ATOM 2302 C CA ASP 138 . . E 3 36.075 49.900 -14.701 1.00 20.43 ? CA ASP 138 A 1 +ATOM 2303 C C ASP 138 . . E 3 34.683 50.375 -15.058 1.00 15.8 ? C ASP 138 A 1 +ATOM 2304 O O ASP 138 . . E 3 33.692 49.779 -14.642 1.00 21.43 ? O ASP 138 A 1 +ATOM 2305 C CB ASP 138 . . E 3 36.789 49.316 -15.979 1.00 24.22 ? CB ASP 138 A 1 +ATOM 2306 C CG ASP 138 . . E 3 36.089 48.116 -16.621 1.00 26.66 ? CG ASP 138 A 1 +ATOM 2307 O OD1 ASP 138 . . E 3 34.874 47.871 -16.389 1.00 28.12 ? OD1 ASP 138 A 1 +ATOM 2308 O OD2 ASP 138 . . E 3 36.802 47.410 -17.380 1.00 19.3 ? OD2 ASP 138 A 1 +ATOM 2309 N N VAL 139 . . E 3 34.597 51.415 -15.863 1.00 11.09 ? N VAL 139 A 1 +ATOM 2310 C CA VAL 139 . . E 3 33.297 51.997 -16.168 1.00 10.6 ? CA VAL 139 A 1 +ATOM 2311 C C VAL 139 . . E 3 32.211 50.990 -16.565 1.00 8.76 ? C VAL 139 A 1 +ATOM 2312 O O VAL 139 . . E 3 31.141 50.991 -15.947 1.00 19.97 ? O VAL 139 A 1 +ATOM 2313 C CB VAL 139 . . E 3 33.421 53.060 -17.306 1.00 23.65 ? CB VAL 139 A 1 +ATOM 2314 C CG1 VAL 139 . . E 3 32.126 53.838 -17.415 1.00 27.54 ? CG1 VAL 139 A 1 +ATOM 2315 C CG2 VAL 139 . . E 3 34.571 54.013 -17.013 1.00 27.6 ? CG2 VAL 139 A 1 +ATOM 2316 N N THR 140 . . E 3 32.412 50.135 -17.554 1.00 6.9 ? N THR 140 A 1 +ATOM 2317 C CA THR 140 . . E 3 31.315 49.225 -17.879 1.00 6 ? CA THR 140 A 1 +ATOM 2318 C C THR 140 . . E 3 30.966 48.455 -16.624 1.00 6 ? C THR 140 A 1 +ATOM 2319 O O THR 140 . . E 3 29.806 48.228 -16.340 1.00 11.3 ? O THR 140 A 1 +ATOM 2320 C CB THR 140 . . E 3 31.727 48.261 -19.009 1.00 9.97 ? CB THR 140 A 1 +ATOM 2321 O OG1 THR 140 . . E 3 32.537 48.964 -19.966 1.00 14.22 ? OG1 THR 140 A 1 +ATOM 2322 C CG2 THR 140 . . E 3 30.481 47.773 -19.787 1.00 8.92 ? CG2 THR 140 A 1 +ATOM 2323 N N GLY 141 . . E 3 31.974 48.094 -15.842 1.00 6 ? N GLY 141 A 1 +ATOM 2324 C CA GLY 141 . . E 3 31.715 47.429 -14.582 1.00 6 ? CA GLY 141 A 1 +ATOM 2325 C C GLY 141 . . E 3 30.776 48.280 -13.774 1.00 6 ? C GLY 141 A 1 +ATOM 2326 O O GLY 141 . . E 3 29.593 47.947 -13.632 1.00 6 ? O GLY 141 A 1 +ATOM 2327 N N ARG 142 . . E 3 31.269 49.410 -13.275 1.00 8.33 ? N ARG 142 A 1 +ATOM 2328 C CA ARG 142 . . E 3 30.418 50.321 -12.491 1.00 8.67 ? CA ARG 142 A 1 +ATOM 2329 C C ARG 142 . . E 3 29.060 50.640 -13.185 1.00 14.33 ? C ARG 142 A 1 +ATOM 2330 O O ARG 142 . . E 3 28.063 50.771 -12.491 1.00 24.43 ? O ARG 142 A 1 +ATOM 2331 C CB ARG 142 . . E 3 31.098 51.673 -12.239 1.00 14.77 ? CB ARG 142 A 1 +ATOM 2332 C CG ARG 142 . . E 3 32.577 51.727 -11.785 1.00 15.47 ? CG ARG 142 A 1 +ATOM 2333 C CD ARG 142 . . E 3 32.890 53.245 -11.747 1.00 12.12 ? CD ARG 142 A 1 +ATOM 2334 N NE ARG 142 . . E 3 34.264 53.647 -12.052 1.00 17.85 ? NE ARG 142 A 1 +ATOM 2335 C CZ ARG 142 . . E 3 34.586 54.785 -12.682 1.00 28.81 ? CZ ARG 142 A 1 +ATOM 2336 N NH1 ARG 142 . . E 3 33.637 55.641 -13.081 1.00 17.92 ? NH1 ARG 142 A 1 +ATOM 2337 N NH2 ARG 142 . . E 3 35.862 55.074 -12.932 1.00 30.01 ? NH2 ARG 142 A 1 +ATOM 2338 N N ILE 143 . . E 3 28.963 50.798 -14.504 1.00 9.1 ? N ILE 143 A 1 +ATOM 2339 C CA ILE 143 . . E 3 27.638 51.093 -15.077 1.00 13.32 ? CA ILE 143 A 1 +ATOM 2340 C C ILE 143 . . E 3 26.683 49.885 -15.028 1.00 9.08 ? C ILE 143 A 1 +ATOM 2341 O O ILE 143 . . E 3 25.474 50.048 -14.825 1.00 9.51 ? O ILE 143 A 1 +ATOM 2342 C CB ILE 143 . . E 3 27.719 51.531 -16.546 1.00 7.25 ? CB ILE 143 A 1 +ATOM 2343 C CG1 ILE 143 . . E 3 28.510 52.823 -16.666 1.00 11.11 ? CG1 ILE 143 A 1 +ATOM 2344 C CG2 ILE 143 . . E 3 26.347 51.820 -17.057 1.00 6 ? CG2 ILE 143 A 1 +ATOM 2345 C CD1 ILE 143 . . E 3 28.858 53.219 -18.070 1.00 9.93 ? CD1 ILE 143 A 1 +ATOM 2346 N N ALA 144 . . E 3 27.199 48.677 -15.211 1.00 16 ? N ALA 144 A 1 +ATOM 2347 C CA ALA 144 . . E 3 26.341 47.473 -15.131 1.00 18.2 ? CA ALA 144 A 1 +ATOM 2348 C C ALA 144 . . E 3 25.727 47.342 -13.740 1.00 17.06 ? C ALA 144 A 1 +ATOM 2349 O O ALA 144 . . E 3 24.539 47.038 -13.595 1.00 6.15 ? O ALA 144 A 1 +ATOM 2350 C CB ALA 144 . . E 3 27.159 46.196 -15.427 1.00 6 ? CB ALA 144 A 1 +ATOM 2351 N N GLN 145 . . E 3 26.591 47.540 -12.736 1.00 23.1 ? N GLN 145 A 1 +ATOM 2352 C CA GLN 145 . . E 3 26.270 47.467 -11.307 1.00 18.67 ? CA GLN 145 A 1 +ATOM 2353 C C GLN 145 . . E 3 25.226 48.538 -10.963 1.00 21.12 ? C GLN 145 A 1 +ATOM 2354 O O GLN 145 . . E 3 24.215 48.214 -10.337 1.00 28.84 ? O GLN 145 A 1 +ATOM 2355 C CB GLN 145 . . E 3 27.546 47.684 -10.501 1.00 21.31 ? CB GLN 145 A 1 +ATOM 2356 C CG GLN 145 . . E 3 27.602 47.047 -9.123 1.00 33.02 ? CG GLN 145 A 1 +ATOM 2357 C CD GLN 145 . . E 3 27.873 45.537 -9.172 1.00 45.71 ? CD GLN 145 A 1 +ATOM 2358 O OE1 GLN 145 . . E 3 28.954 45.073 -9.599 1.00 34.24 ? OE1 GLN 145 A 1 +ATOM 2359 N NE2 GLN 145 . . E 3 26.888 44.761 -8.726 1.00 43.32 ? NE2 GLN 145 A 1 +ATOM 2360 N N THR 146 . . E 3 25.450 49.793 -11.370 1.00 14.14 ? N THR 146 A 1 +ATOM 2361 C CA THR 146 . . E 3 24.469 50.865 -11.143 1.00 9.07 ? CA THR 146 A 1 +ATOM 2362 C C THR 146 . . E 3 23.115 50.371 -11.656 1.00 8.49 ? C THR 146 A 1 +ATOM 2363 O O THR 146 . . E 3 22.087 50.515 -10.993 1.00 7.65 ? O THR 146 A 1 +ATOM 2364 C CB THR 146 . . E 3 24.770 52.174 -11.927 1.00 8.96 ? CB THR 146 A 1 +ATOM 2365 O OG1 THR 146 . . E 3 26.026 52.756 -11.558 1.00 6 ? OG1 THR 146 A 1 +ATOM 2366 C CG2 THR 146 . . E 3 23.716 53.151 -11.619 1.00 16.6 ? CG2 THR 146 A 1 +ATOM 2367 N N LEU 147 . . E 3 23.125 49.787 -12.849 1.00 13.2 ? N LEU 147 A 1 +ATOM 2368 C CA LEU 147 . . E 3 21.901 49.257 -13.455 1.00 17.02 ? CA LEU 147 A 1 +ATOM 2369 C C LEU 147 . . E 3 21.290 48.048 -12.687 1.00 15.91 ? C LEU 147 A 1 +ATOM 2370 O O LEU 147 . . E 3 20.046 47.900 -12.646 1.00 10.13 ? O LEU 147 A 1 +ATOM 2371 C CB LEU 147 . . E 3 22.231 48.902 -14.895 1.00 13.49 ? CB LEU 147 A 1 +ATOM 2372 C CG LEU 147 . . E 3 21.718 49.766 -16.043 1.00 12.52 ? CG LEU 147 A 1 +ATOM 2373 C CD1 LEU 147 . . E 3 21.682 51.205 -15.746 1.00 13.58 ? CD1 LEU 147 A 1 +ATOM 2374 C CD2 LEU 147 . . E 3 22.642 49.481 -17.183 1.00 16.72 ? CD2 LEU 147 A 1 +ATOM 2375 N N LEU 148 . . E 3 22.136 47.188 -12.108 1.00 13.52 ? N LEU 148 A 1 +ATOM 2376 C CA LEU 148 . . E 3 21.672 46.093 -11.237 1.00 12.77 ? CA LEU 148 A 1 +ATOM 2377 C C LEU 148 . . E 3 20.957 46.716 -10.029 1.00 9.33 ? C LEU 148 A 1 +ATOM 2378 O O LEU 148 . . E 3 19.821 46.363 -9.705 1.00 20.82 ? O LEU 148 A 1 +ATOM 2379 C CB LEU 148 . . E 3 22.859 45.255 -10.757 1.00 11.31 ? CB LEU 148 A 1 +ATOM 2380 C CG LEU 148 . . E 3 23.119 43.965 -11.554 1.00 16.51 ? CG LEU 148 A 1 +ATOM 2381 C CD1 LEU 148 . . E 3 22.838 44.243 -13.038 1.00 18.44 ? CD1 LEU 148 A 1 +ATOM 2382 C CD2 LEU 148 . . E 3 24.571 43.473 -11.311 1.00 6 ? CD2 LEU 148 A 1 +ATOM 2383 N N ASN 149 . . E 3 21.613 47.675 -9.387 1.00 12.17 ? N ASN 149 A 1 +ATOM 2384 C CA ASN 149 . . E 3 21.030 48.421 -8.256 1.00 15.27 ? CA ASN 149 A 1 +ATOM 2385 C C ASN 149 . . E 3 19.686 49.181 -8.610 1.00 15.38 ? C ASN 149 A 1 +ATOM 2386 O O ASN 149 . . E 3 18.649 48.909 -7.995 1.00 24.01 ? O ASN 149 A 1 +ATOM 2387 C CB ASN 149 . . E 3 22.006 49.486 -7.725 1.00 20.01 ? CB ASN 149 A 1 +ATOM 2388 C CG ASN 149 . . E 3 23.327 48.925 -7.208 1.00 31.03 ? CG ASN 149 A 1 +ATOM 2389 O OD1 ASN 149 . . E 3 23.435 47.759 -6.833 1.00 28.47 ? OD1 ASN 149 A 1 +ATOM 2390 N ND2 ASN 149 . . E 3 24.351 49.781 -7.180 1.00 21.92 ? ND2 ASN 149 A 1 +ATOM 2391 N N LEU 150 . . E 3 19.669 50.091 -9.597 1.00 14.5 ? N LEU 150 A 1 +ATOM 2392 C CA LEU 150 . . E 3 18.467 50.916 -9.836 1.00 16.03 ? CA LEU 150 A 1 +ATOM 2393 C C LEU 150 . . E 3 17.331 50.046 -10.313 1.00 17.72 ? C LEU 150 A 1 +ATOM 2394 O O LEU 150 . . E 3 16.128 50.367 -10.134 1.00 14.96 ? O LEU 150 A 1 +ATOM 2395 C CB LEU 150 . . E 3 18.674 52.014 -10.919 1.00 13.33 ? CB LEU 150 A 1 +ATOM 2396 C CG LEU 150 . . E 3 19.932 52.906 -10.985 1.00 21.26 ? CG LEU 150 A 1 +ATOM 2397 C CD1 LEU 150 . . E 3 19.700 53.854 -12.196 1.00 9.1 ? CD1 LEU 150 A 1 +ATOM 2398 C CD2 LEU 150 . . E 3 20.161 53.729 -9.728 1.00 22.84 ? CD2 LEU 150 A 1 +ATOM 2399 N N ALA 151 . . E 3 17.713 48.954 -10.969 1.00 23.61 ? N ALA 151 A 1 +ATOM 2400 C CA ALA 151 . . E 3 16.698 48.047 -11.455 1.00 28.38 ? CA ALA 151 A 1 +ATOM 2401 C C ALA 151 . . E 3 15.988 47.598 -10.199 1.00 26.24 ? C ALA 151 A 1 +ATOM 2402 O O ALA 151 . . E 3 14.784 47.459 -10.219 1.00 31.44 ? O ALA 151 A 1 +ATOM 2403 C CB ALA 151 . . E 3 17.352 46.835 -12.232 1.00 14.51 ? CB ALA 151 A 1 +ATOM 2404 N N LYS 152 . . E 3 16.765 47.445 -9.116 1.00 30.18 ? N LYS 152 A 1 +ATOM 2405 C CA LYS 152 . . E 3 16.331 47.036 -7.767 1.00 30.07 ? CA LYS 152 A 1 +ATOM 2406 C C LYS 152 . . E 3 15.688 48.124 -6.893 1.00 30.25 ? C LYS 152 A 1 +ATOM 2407 O O LYS 152 . . E 3 15.044 47.825 -5.885 1.00 27.85 ? O LYS 152 A 1 +ATOM 2408 C CB LYS 152 . . E 3 17.525 46.454 -6.989 1.00 24.86 ? CB LYS 152 A 1 +ATOM 2409 C CG LYS 152 . . E 3 17.171 46.071 -5.542 1.00 44.06 ? CG LYS 152 A 1 +ATOM 2410 C CD LYS 152 . . E 3 17.858 44.767 -5.062 1.00 51.19 ? CD LYS 152 A 1 +ATOM 2411 C CE LYS 152 . . E 3 17.170 44.156 -3.808 1.00 43.95 ? CE LYS 152 A 1 +ATOM 2412 N NZ LYS 152 . . E 3 17.643 42.742 -3.588 1.00 33.99 ? NZ LYS 152 A 1 +ATOM 2413 N N GLN 153 . . E 3 15.851 49.388 -7.228 1.00 31.71 ? N GLN 153 A 1 +ATOM 2414 C CA GLN 153 . . E 3 15.254 50.417 -6.382 1.00 32.74 ? CA GLN 153 A 1 +ATOM 2415 C C GLN 153 . . E 3 13.736 50.301 -6.292 1.00 33.6 ? C GLN 153 A 1 +ATOM 2416 O O GLN 153 . . E 3 13.156 49.477 -6.977 1.00 30.37 ? O GLN 153 A 1 +ATOM 2417 C CB GLN 153 . . E 3 15.621 51.804 -6.912 1.00 35.66 ? CB GLN 153 A 1 +ATOM 2418 C CG GLN 153 . . E 3 16.853 52.369 -6.243 1.00 31.76 ? CG GLN 153 A 1 +ATOM 2419 C CD GLN 153 . . E 3 16.565 53.664 -5.498 1.00 24.89 ? CD GLN 153 A 1 +ATOM 2420 O OE1 GLN 153 . . E 3 15.467 54.219 -5.549 1.00 26.83 ? OE1 GLN 153 A 1 +ATOM 2421 N NE2 GLN 153 . . E 3 17.564 54.154 -4.810 1.00 28.09 ? NE2 GLN 153 A 1 +ATOM 2422 N N PRO 154 . . E 3 13.095 51.092 -5.396 1.00 33.92 ? N PRO 154 A 1 +ATOM 2423 C CA PRO 154 . . E 3 11.671 51.387 -5.229 1.00 29.65 ? CA PRO 154 A 1 +ATOM 2424 C C PRO 154 . . E 3 11.008 52.117 -6.387 1.00 29.84 ? C PRO 154 A 1 +ATOM 2425 O O PRO 154 . . E 3 9.803 52.012 -6.542 1.00 33.82 ? O PRO 154 A 1 +ATOM 2426 C CB PRO 154 . . E 3 11.627 52.170 -3.918 1.00 29.58 ? CB PRO 154 A 1 +ATOM 2427 C CG PRO 154 . . E 3 12.696 51.506 -3.145 1.00 30.55 ? CG PRO 154 A 1 +ATOM 2428 C CD PRO 154 . . E 3 13.790 51.602 -4.181 1.00 32.15 ? CD PRO 154 A 1 +ATOM 2429 N N ASP 155 . . E 3 11.743 52.894 -7.172 1.00 36.54 ? N ASP 155 A 1 +ATOM 2430 C CA ASP 155 . . E 3 11.108 53.607 -8.278 1.00 39.41 ? CA ASP 155 A 1 +ATOM 2431 C C ASP 155 . . E 3 11.312 52.905 -9.594 1.00 44.65 ? C ASP 155 A 1 +ATOM 2432 O O ASP 155 . . E 3 11.794 53.532 -10.532 1.00 55 ? O ASP 155 A 1 +ATOM 2433 C CB ASP 155 . . E 3 11.651 55.057 -8.394 1.00 35.23 ? CB ASP 155 A 1 +ATOM 2434 C CG ASP 155 . . E 3 13.199 55.157 -8.440 1.00 45.04 ? CG ASP 155 A 1 +ATOM 2435 O OD1 ASP 155 . . E 3 13.799 55.325 -9.534 1.00 49.19 ? OD1 ASP 155 A 1 +ATOM 2436 O OD2 ASP 155 . . E 3 13.836 55.108 -7.363 1.00 54.84 ? OD2 ASP 155 A 1 +ATOM 2437 N N ALA 156 . . E 3 10.932 51.633 -9.698 1.00 41.2 ? N ALA 156 A 1 +ATOM 2438 C CA ALA 156 . . E 3 11.144 50.906 -10.952 1.00 33.19 ? CA ALA 156 A 1 +ATOM 2439 C C ALA 156 . . E 3 9.897 50.144 -11.417 1.00 36.82 ? C ALA 156 A 1 +ATOM 2440 O O ALA 156 . . E 3 9.431 49.203 -10.750 1.00 32.92 ? O ALA 156 A 1 +ATOM 2441 C CB ALA 156 . . E 3 12.297 49.952 -10.765 1.00 33.34 ? CB ALA 156 A 1 +ATOM 2442 N N MET 157 . . E 3 9.358 50.572 -12.569 1.00 41.66 ? N MET 157 A 1 +ATOM 2443 C CA MET 157 . . E 3 8.133 50.009 -13.170 1.00 40.32 ? CA MET 157 A 1 +ATOM 2444 C C MET 157 . . E 3 8.401 48.578 -13.624 1.00 39.27 ? C MET 157 A 1 +ATOM 2445 O O MET 157 . . E 3 9.527 48.197 -13.989 1.00 32.56 ? O MET 157 A 1 +ATOM 2446 C CB MET 157 . . E 3 7.686 50.841 -14.392 1.00 42.76 ? CB MET 157 A 1 +ATOM 2447 C CG MET 157 . . E 3 7.654 52.369 -14.203 1.00 49.14 ? CG MET 157 A 1 +ATOM 2448 S SD MET 157 . . E 3 9.253 53.227 -13.703 1.00 55 ? SD MET 157 A 1 +ATOM 2449 C CE MET 157 . . E 3 10.081 53.570 -15.281 1.00 48.56 ? CE MET 157 A 1 +ATOM 2450 N N THR 158 . . E 3 7.368 47.763 -13.602 1.00 39.62 ? N THR 158 A 1 +ATOM 2451 C CA THR 158 . . E 3 7.580 46.393 -14.006 1.00 39.36 ? CA THR 158 A 1 +ATOM 2452 C C THR 158 . . E 3 7.528 46.378 -15.523 1.00 40.49 ? C THR 158 A 1 +ATOM 2453 O O THR 158 . . E 3 6.862 47.235 -16.122 1.00 36.16 ? O THR 158 A 1 +ATOM 2454 C CB THR 158 . . E 3 6.476 45.490 -13.373 1.00 44.49 ? CB THR 158 A 1 +ATOM 2455 O OG1 THR 158 . . E 3 6.953 44.144 -13.317 1.00 51.36 ? OG1 THR 158 A 1 +ATOM 2456 C CG2 THR 158 . . E 3 5.173 45.534 -14.194 1.00 41.81 ? CG2 THR 158 A 1 +ATOM 2457 N N HIS 159 . . E 3 8.253 45.437 -16.127 1.00 42.96 ? N HIS 159 A 1 +ATOM 2458 C CA HIS 159 . . E 3 8.304 45.249 -17.589 1.00 48.59 ? CA HIS 159 A 1 +ATOM 2459 C C HIS 159 . . E 3 8.278 43.738 -17.818 1.00 49.13 ? C HIS 159 A 1 +ATOM 2460 O O HIS 159 . . E 3 8.929 43.018 -17.059 1.00 50.14 ? O HIS 159 A 1 +ATOM 2461 C CB HIS 159 . . E 3 9.610 45.841 -18.175 1.00 46.54 ? CB HIS 159 A 1 +ATOM 2462 C CG HIS 159 . . E 3 9.583 46.039 -19.665 1.00 46.42 ? CG HIS 159 A 1 +ATOM 2463 N ND1 HIS 159 . . E 3 9.799 45.015 -20.563 1.00 46.94 ? ND1 HIS 159 A 1 +ATOM 2464 C CD2 HIS 159 . . E 3 9.355 47.150 -20.409 1.00 48.3 ? CD2 HIS 159 A 1 +ATOM 2465 C CE1 HIS 159 . . E 3 9.704 45.486 -21.797 1.00 46.22 ? CE1 HIS 159 A 1 +ATOM 2466 N NE2 HIS 159 . . E 3 9.436 46.778 -21.731 1.00 43.6 ? NE2 HIS 159 A 1 +ATOM 2467 N N PRO 160 . . E 3 7.556 43.235 -18.860 1.00 53.19 ? N PRO 160 A 1 +ATOM 2468 C CA PRO 160 . . E 3 7.371 41.790 -19.096 1.00 50.53 ? CA PRO 160 A 1 +ATOM 2469 C C PRO 160 . . E 3 8.668 41.047 -18.814 1.00 51.69 ? C PRO 160 A 1 +ATOM 2470 O O PRO 160 . . E 3 8.765 40.152 -17.962 1.00 51.73 ? O PRO 160 A 1 +ATOM 2471 C CB PRO 160 . . E 3 6.896 41.746 -20.546 1.00 44.13 ? CB PRO 160 A 1 +ATOM 2472 C CG PRO 160 . . E 3 7.443 43.047 -21.118 1.00 48.96 ? CG PRO 160 A 1 +ATOM 2473 C CD PRO 160 . . E 3 6.998 43.964 -20.022 1.00 53.47 ? CD PRO 160 A 1 +ATOM 2474 N N ASP 161 . . E 3 9.671 41.470 -19.554 1.00 48.49 ? N ASP 161 A 1 +ATOM 2475 C CA ASP 161 . . E 3 11.005 40.991 -19.361 1.00 45.43 ? CA ASP 161 A 1 +ATOM 2476 C C ASP 161 . . E 3 11.787 42.201 -18.837 1.00 42.13 ? C ASP 161 A 1 +ATOM 2477 O O ASP 161 . . E 3 11.593 43.309 -19.356 1.00 48.74 ? O ASP 161 A 1 +ATOM 2478 C CB ASP 161 . . E 3 11.536 40.472 -20.705 1.00 48.5 ? CB ASP 161 A 1 +ATOM 2479 C CG ASP 161 . . E 3 11.129 41.336 -21.885 1.00 48.94 ? CG ASP 161 A 1 +ATOM 2480 O OD1 ASP 161 . . E 3 12.014 41.980 -22.472 1.00 42.36 ? OD1 ASP 161 A 1 +ATOM 2481 O OD2 ASP 161 . . E 3 9.929 41.360 -22.224 1.00 41.52 ? OD2 ASP 161 A 1 +ATOM 2482 N N GLY 162 . . E 3 12.581 41.987 -17.778 1.00 32.44 ? N GLY 162 A 1 +ATOM 2483 C CA GLY 162 . . E 3 13.418 43.000 -17.144 1.00 21.4 ? CA GLY 162 A 1 +ATOM 2484 C C GLY 162 . . E 3 12.679 44.103 -16.395 1.00 25.06 ? C GLY 162 A 1 +ATOM 2485 O O GLY 162 . . E 3 11.441 44.187 -16.350 1.00 15.57 ? O GLY 162 A 1 +ATOM 2486 N N MET 163 . . E 3 13.472 44.972 -15.776 1.00 31.59 ? N MET 163 A 1 +ATOM 2487 C CA MET 163 . . E 3 12.937 46.121 -15.049 1.00 34.03 ? CA MET 163 A 1 +ATOM 2488 C C MET 163 . . E 3 13.191 47.389 -15.817 1.00 35.97 ? C MET 163 A 1 +ATOM 2489 O O MET 163 . . E 3 14.298 47.638 -16.326 1.00 40.8 ? O MET 163 A 1 +ATOM 2490 C CB MET 163 . . E 3 13.581 46.312 -13.682 1.00 36.34 ? CB MET 163 A 1 +ATOM 2491 C CG MET 163 . . E 3 12.606 46.170 -12.539 1.00 42.75 ? CG MET 163 A 1 +ATOM 2492 S SD MET 163 . . E 3 11.898 44.511 -12.485 1.00 44.85 ? SD MET 163 A 1 +ATOM 2493 C CE MET 163 . . E 3 10.341 44.723 -13.380 1.00 44.59 ? CE MET 163 A 1 +ATOM 2494 N N GLN 164 . . E 3 12.135 48.191 -15.877 1.00 32.34 ? N GLN 164 A 1 +ATOM 2495 C CA GLN 164 . . E 3 12.163 49.466 -16.548 1.00 30 ? CA GLN 164 A 1 +ATOM 2496 C C GLN 164 . . E 3 12.568 50.514 -15.541 1.00 30.25 ? C GLN 164 A 1 +ATOM 2497 O O GLN 164 . . E 3 11.862 50.836 -14.598 1.00 27.76 ? O GLN 164 A 1 +ATOM 2498 C CB GLN 164 . . E 3 10.777 49.784 -17.144 1.00 26.97 ? CB GLN 164 A 1 +ATOM 2499 C CG GLN 164 . . E 3 10.654 51.089 -17.914 1.00 24.46 ? CG GLN 164 A 1 +ATOM 2500 C CD GLN 164 . . E 3 9.316 51.223 -18.661 1.00 26.88 ? CD GLN 164 A 1 +ATOM 2501 O OE1 GLN 164 . . E 3 9.285 51.679 -19.789 1.00 36.11 ? OE1 GLN 164 A 1 +ATOM 2502 N NE2 GLN 164 . . E 3 8.218 50.827 -18.035 1.00 26.58 ? NE2 GLN 164 A 1 +ATOM 2503 N N ILE 165 . . E 3 13.817 50.891 -15.707 1.00 33.93 ? N ILE 165 A 1 +ATOM 2504 C CA ILE 165 . . E 3 14.460 51.984 -15.027 1.00 30.01 ? CA ILE 165 A 1 +ATOM 2505 C C ILE 165 . . E 3 14.209 53.253 -15.814 1.00 26.17 ? C ILE 165 A 1 +ATOM 2506 O O ILE 165 . . E 3 14.069 53.159 -17.027 1.00 30.02 ? O ILE 165 A 1 +ATOM 2507 C CB ILE 165 . . E 3 16.008 51.637 -14.897 1.00 16.21 ? CB ILE 165 A 1 +ATOM 2508 C CG1 ILE 165 . . E 3 16.215 50.655 -13.739 1.00 17.72 ? CG1 ILE 165 A 1 +ATOM 2509 C CG2 ILE 165 . . E 3 16.807 52.840 -14.690 1.00 25.39 ? CG2 ILE 165 A 1 +ATOM 2510 C CD1 ILE 165 . . E 3 14.924 50.331 -12.907 1.00 23.56 ? CD1 ILE 165 A 1 +ATOM 2511 N N LYS 166 . . E 3 14.064 54.407 -15.200 1.00 25.27 ? N LYS 166 A 1 +ATOM 2512 C CA LYS 166 . . E 3 13.856 55.574 -16.030 1.00 25.89 ? CA LYS 166 A 1 +ATOM 2513 C C LYS 166 . . E 3 14.990 56.446 -15.713 1.00 25.73 ? C LYS 166 A 1 +ATOM 2514 O O LYS 166 . . E 3 15.130 56.806 -14.551 1.00 26.84 ? O LYS 166 A 1 +ATOM 2515 C CB LYS 166 . . E 3 12.573 56.348 -15.697 1.00 34.33 ? CB LYS 166 A 1 +ATOM 2516 C CG LYS 166 . . E 3 12.441 57.678 -16.513 1.00 43.24 ? CG LYS 166 A 1 +ATOM 2517 C CD LYS 166 . . E 3 11.118 58.451 -16.277 1.00 52.65 ? CD LYS 166 A 1 +ATOM 2518 C CE LYS 166 . . E 3 10.915 59.594 -17.296 1.00 55 ? CE LYS 166 A 1 +ATOM 2519 N NZ LYS 166 . . E 3 9.512 60.135 -17.322 1.00 51.57 ? NZ LYS 166 A 1 +ATOM 2520 N N ILE 167 . . E 3 15.814 56.785 -16.694 1.00 20.18 ? N ILE 167 A 1 +ATOM 2521 C CA ILE 167 . . E 3 16.939 57.579 -16.312 1.00 18.34 ? CA ILE 167 A 1 +ATOM 2522 C C ILE 167 . . E 3 17.691 58.175 -17.487 1.00 20.7 ? C ILE 167 A 1 +ATOM 2523 O O ILE 167 . . E 3 17.674 57.689 -18.616 1.00 17.89 ? O ILE 167 A 1 +ATOM 2524 C CB ILE 167 . . E 3 17.896 56.712 -15.454 1.00 14.35 ? CB ILE 167 A 1 +ATOM 2525 C CG1 ILE 167 . . E 3 18.695 57.618 -14.517 1.00 16.17 ? CG1 ILE 167 A 1 +ATOM 2526 C CG2 ILE 167 . . E 3 18.846 55.904 -16.370 1.00 22.46 ? CG2 ILE 167 A 1 +ATOM 2527 C CD1 ILE 167 . . E 3 19.575 56.889 -13.562 1.00 13.78 ? CD1 ILE 167 A 1 +ATOM 2528 N N THR 168 . . E 3 18.331 59.265 -17.107 1.00 18.13 ? N THR 168 A 1 +ATOM 2529 C CA THR 168 . . E 3 19.185 60.155 -17.833 1.00 13.26 ? CA THR 168 A 1 +ATOM 2530 C C THR 168 . . E 3 20.614 59.707 -17.835 1.00 14.87 ? C THR 168 A 1 +ATOM 2531 O O THR 168 . . E 3 21.246 59.703 -16.796 1.00 23.81 ? O THR 168 A 1 +ATOM 2532 C CB THR 168 . . E 3 19.086 61.540 -17.203 1.00 23.16 ? CB THR 168 A 1 +ATOM 2533 O OG1 THR 168 . . E 3 17.949 62.214 -17.762 1.00 38.01 ? OG1 THR 168 A 1 +ATOM 2534 C CG2 THR 168 . . E 3 20.348 62.314 -17.392 1.00 20.68 ? CG2 THR 168 A 1 +ATOM 2535 N N ARG 169 . . E 3 21.141 59.389 -19.008 1.00 21.98 ? N ARG 169 A 1 +ATOM 2536 C CA ARG 169 . . E 3 22.540 59.005 -19.140 1.00 18.04 ? CA ARG 169 A 1 +ATOM 2537 C C ARG 169 . . E 3 23.434 60.011 -18.443 1.00 16.36 ? C ARG 169 A 1 +ATOM 2538 O O ARG 169 . . E 3 24.587 59.706 -18.117 1.00 14.61 ? O ARG 169 A 1 +ATOM 2539 C CB ARG 169 . . E 3 23.004 58.962 -20.595 1.00 8.74 ? CB ARG 169 A 1 +ATOM 2540 C CG ARG 169 . . E 3 22.433 57.919 -21.479 1.00 6 ? CG ARG 169 A 1 +ATOM 2541 C CD ARG 169 . . E 3 22.715 58.307 -22.951 1.00 6 ? CD ARG 169 A 1 +ATOM 2542 N NE ARG 169 . . E 3 21.892 57.468 -23.816 1.00 7.77 ? NE ARG 169 A 1 +ATOM 2543 C CZ ARG 169 . . E 3 20.588 57.338 -23.642 1.00 6 ? CZ ARG 169 A 1 +ATOM 2544 N NH1 ARG 169 . . E 3 20.031 58.007 -22.661 1.00 6 ? NH1 ARG 169 A 1 +ATOM 2545 N NH2 ARG 169 . . E 3 19.859 56.504 -24.385 1.00 6 ? NH2 ARG 169 A 1 +ATOM 2546 N N GLN 170 . . E 3 22.950 61.232 -18.271 1.00 18.66 ? N GLN 170 A 1 +ATOM 2547 C CA GLN 170 . . E 3 23.787 62.216 -17.617 1.00 19.32 ? CA GLN 170 A 1 +ATOM 2548 C C GLN 170 . . E 3 23.887 61.825 -16.170 1.00 16.04 ? C GLN 170 A 1 +ATOM 2549 O O GLN 170 . . E 3 24.968 61.869 -15.605 1.00 7.96 ? O GLN 170 A 1 +ATOM 2550 C CB GLN 170 . . E 3 23.174 63.605 -17.785 1.00 17.52 ? CB GLN 170 A 1 +ATOM 2551 C CG GLN 170 . . E 3 24.185 64.624 -18.259 1.00 26.55 ? CG GLN 170 A 1 +ATOM 2552 C CD GLN 170 . . E 3 23.535 65.750 -19.049 1.00 26.12 ? CD GLN 170 A 1 +ATOM 2553 O OE1 GLN 170 . . E 3 24.015 66.129 -20.120 1.00 36.57 ? OE1 GLN 170 A 1 +ATOM 2554 N NE2 GLN 170 . . E 3 22.432 66.280 -18.539 1.00 26.93 ? NE2 GLN 170 A 1 +ATOM 2555 N N GLU 171 . . E 3 22.761 61.372 -15.622 1.00 7.44 ? N GLU 171 A 1 +ATOM 2556 C CA GLU 171 . . E 3 22.693 60.893 -14.221 1.00 18.12 ? CA GLU 171 A 1 +ATOM 2557 C C GLU 171 . . E 3 23.642 59.718 -13.941 1.00 12.67 ? C GLU 171 A 1 +ATOM 2558 O O GLU 171 . . E 3 24.474 59.795 -13.012 1.00 13.4 ? O GLU 171 A 1 +ATOM 2559 C CB GLU 171 . . E 3 21.271 60.455 -13.865 1.00 20.27 ? CB GLU 171 A 1 +ATOM 2560 C CG GLU 171 . . E 3 20.401 61.583 -13.325 1.00 23.57 ? CG GLU 171 A 1 +ATOM 2561 C CD GLU 171 . . E 3 19.830 61.251 -11.946 1.00 26.74 ? CD GLU 171 A 1 +ATOM 2562 O OE1 GLU 171 . . E 3 20.507 61.484 -10.910 1.00 13.87 ? OE1 GLU 171 A 1 +ATOM 2563 O OE2 GLU 171 . . E 3 18.688 60.746 -11.920 1.00 18.2 ? OE2 GLU 171 A 1 +ATOM 2564 N N ILE 172 . . E 3 23.545 58.663 -14.761 1.00 12.53 ? N ILE 172 A 1 +ATOM 2565 C CA ILE 172 . . E 3 24.439 57.511 -14.631 1.00 8.09 ? CA ILE 172 A 1 +ATOM 2566 C C ILE 172 . . E 3 25.876 58.025 -14.643 1.00 6.83 ? C ILE 172 A 1 +ATOM 2567 O O ILE 172 . . E 3 26.688 57.567 -13.846 1.00 12.67 ? O ILE 172 A 1 +ATOM 2568 C CB ILE 172 . . E 3 24.195 56.509 -15.807 1.00 10.79 ? CB ILE 172 A 1 +ATOM 2569 C CG1 ILE 172 . . E 3 22.734 56.026 -15.754 1.00 7.15 ? CG1 ILE 172 A 1 +ATOM 2570 C CG2 ILE 172 . . E 3 25.138 55.344 -15.714 1.00 9.56 ? CG2 ILE 172 A 1 +ATOM 2571 C CD1 ILE 172 . . E 3 22.290 55.160 -16.904 1.00 13.88 ? CD1 ILE 172 A 1 +ATOM 2572 N N GLY 173 . . E 3 26.196 58.987 -15.510 1.00 6 ? N GLY 173 A 1 +ATOM 2573 C CA GLY 173 . . E 3 27.541 59.524 -15.515 1.00 10.97 ? CA GLY 173 A 1 +ATOM 2574 C C GLY 173 . . E 3 27.888 60.109 -14.136 1.00 19.7 ? C GLY 173 A 1 +ATOM 2575 O O GLY 173 . . E 3 29.047 60.044 -13.711 1.00 32.24 ? O GLY 173 A 1 +ATOM 2576 N N GLN 174 . . E 3 26.907 60.666 -13.418 1.00 22.34 ? N GLN 174 A 1 +ATOM 2577 C CA GLN 174 . . E 3 27.147 61.287 -12.097 1.00 21.92 ? CA GLN 174 A 1 +ATOM 2578 C C GLN 174 . . E 3 27.317 60.271 -10.966 1.00 15.93 ? C GLN 174 A 1 +ATOM 2579 O O GLN 174 . . E 3 28.267 60.352 -10.178 1.00 14.99 ? O GLN 174 A 1 +ATOM 2580 C CB GLN 174 . . E 3 25.989 62.236 -11.786 1.00 24.14 ? CB GLN 174 A 1 +ATOM 2581 C CG GLN 174 . . E 3 26.065 63.553 -12.562 1.00 13.84 ? CG GLN 174 A 1 +ATOM 2582 C CD GLN 174 . . E 3 24.789 64.325 -12.500 1.00 15.12 ? CD GLN 174 A 1 +ATOM 2583 O OE1 GLN 174 . . E 3 24.589 65.205 -13.309 1.00 15.5 ? OE1 GLN 174 A 1 +ATOM 2584 N NE2 GLN 174 . . E 3 23.899 63.993 -11.546 1.00 15 ? NE2 GLN 174 A 1 +ATOM 2585 N N ILE 175 . . E 3 26.350 59.371 -10.883 1.00 6 ? N ILE 175 A 1 +ATOM 2586 C CA ILE 175 . . E 3 26.363 58.226 -10.007 1.00 7.48 ? CA ILE 175 A 1 +ATOM 2587 C C ILE 175 . . E 3 27.693 57.493 -10.048 1.00 9.42 ? C ILE 175 A 1 +ATOM 2588 O O ILE 175 . . E 3 28.284 57.182 -9.018 1.00 12.89 ? O ILE 175 A 1 +ATOM 2589 C CB ILE 175 . . E 3 25.309 57.227 -10.428 1.00 6 ? CB ILE 175 A 1 +ATOM 2590 C CG1 ILE 175 . . E 3 23.966 57.855 -10.167 1.00 6 ? CG1 ILE 175 A 1 +ATOM 2591 C CG2 ILE 175 . . E 3 25.572 55.894 -9.797 1.00 6 ? CG2 ILE 175 A 1 +ATOM 2592 C CD1 ILE 175 . . E 3 22.901 56.851 -10.203 1.00 6 ? CD1 ILE 175 A 1 +ATOM 2593 N N VAL 176 . . E 3 28.158 57.244 -11.274 1.00 12.72 ? N VAL 176 A 1 +ATOM 2594 C CA VAL 176 . . E 3 29.333 56.405 -11.608 1.00 6 ? CA VAL 176 A 1 +ATOM 2595 C C VAL 176 . . E 3 30.667 57.046 -11.707 1.00 7.4 ? C VAL 176 A 1 +ATOM 2596 O O VAL 176 . . E 3 31.679 56.356 -11.648 1.00 6.81 ? O VAL 176 A 1 +ATOM 2597 C CB VAL 176 . . E 3 29.042 55.674 -12.925 1.00 10.22 ? CB VAL 176 A 1 +ATOM 2598 C CG1 VAL 176 . . E 3 30.227 55.831 -13.922 1.00 6.14 ? CG1 VAL 176 A 1 +ATOM 2599 C CG2 VAL 176 . . E 3 28.682 54.230 -12.573 1.00 6 ? CG2 VAL 176 A 1 +ATOM 2600 N N GLY 177 . . E 3 30.711 58.337 -11.921 1.00 8.35 ? N GLY 177 A 1 +ATOM 2601 C CA GLY 177 . . E 3 32.028 58.929 -12.011 1.00 11.15 ? CA GLY 177 A 1 +ATOM 2602 C C GLY 177 . . E 3 32.599 58.900 -13.408 1.00 6.33 ? C GLY 177 A 1 +ATOM 2603 O O GLY 177 . . E 3 33.790 58.760 -13.603 1.00 7.01 ? O GLY 177 A 1 +ATOM 2604 N N CYS 178 . . E 3 31.772 59.020 -14.412 1.00 8.26 ? N CYS 178 A 1 +ATOM 2605 C CA CYS 178 . . E 3 32.358 59.093 -15.751 1.00 15.38 ? CA CYS 178 A 1 +ATOM 2606 C C CYS 178 . . E 3 31.576 60.203 -16.464 1.00 12.9 ? C CYS 178 A 1 +ATOM 2607 O O CYS 178 . . E 3 30.608 60.673 -15.900 1.00 6 ? O CYS 178 A 1 +ATOM 2608 C CB CYS 178 . . E 3 32.236 57.715 -16.523 1.00 6 ? CB CYS 178 A 1 +ATOM 2609 S SG CYS 178 . . E 3 30.650 56.957 -16.996 1.00 19.1 ? SG CYS 178 A 1 +ATOM 2610 N N SER 179 . . E 3 32.003 60.628 -17.648 1.00 8 ? N SER 179 A 1 +ATOM 2611 C CA SER 179 . . E 3 31.352 61.671 -18.396 1.00 6 ? CA SER 179 A 1 +ATOM 2612 C C SER 179 . . E 3 30.185 61.112 -19.151 1.00 6.6 ? C SER 179 A 1 +ATOM 2613 O O SER 179 . . E 3 30.175 59.918 -19.426 1.00 17.73 ? O SER 179 A 1 +ATOM 2614 C CB SER 179 . . E 3 32.303 62.264 -19.390 1.00 18.18 ? CB SER 179 A 1 +ATOM 2615 O OG SER 179 . . E 3 32.516 61.277 -20.386 1.00 23.24 ? OG SER 179 A 1 +ATOM 2616 N N ARG 180 . . E 3 29.269 61.998 -19.557 1.00 13.27 ? N ARG 180 A 1 +ATOM 2617 C CA ARG 180 . . E 3 28.047 61.669 -20.303 1.00 15.09 ? CA ARG 180 A 1 +ATOM 2618 C C ARG 180 . . E 3 28.262 60.753 -21.518 1.00 19.25 ? C ARG 180 A 1 +ATOM 2619 O O ARG 180 . . E 3 27.488 59.826 -21.723 1.00 16.65 ? O ARG 180 A 1 +ATOM 2620 C CB ARG 180 . . E 3 27.356 62.934 -20.844 1.00 19.5 ? CB ARG 180 A 1 +ATOM 2621 C CG ARG 180 . . E 3 25.945 62.634 -21.470 1.00 32.19 ? CG ARG 180 A 1 +ATOM 2622 C CD ARG 180 . . E 3 25.124 63.771 -22.233 1.00 14.42 ? CD ARG 180 A 1 +ATOM 2623 N NE ARG 180 . . E 3 25.696 64.147 -23.519 1.00 15.89 ? NE ARG 180 A 1 +ATOM 2624 C CZ ARG 180 . . E 3 26.712 64.998 -23.669 1.00 21.82 ? CZ ARG 180 A 1 +ATOM 2625 N NH1 ARG 180 . . E 3 27.274 65.576 -22.605 1.00 21.19 ? NH1 ARG 180 A 1 +ATOM 2626 N NH2 ARG 180 . . E 3 27.198 65.242 -24.891 1.00 11.64 ? NH2 ARG 180 A 1 +ATOM 2627 N N GLU 181 . . E 3 29.302 61.006 -22.316 1.00 12.92 ? N GLU 181 A 1 +ATOM 2628 C CA GLU 181 . . E 3 29.468 60.245 -23.554 1.00 19.53 ? CA GLU 181 A 1 +ATOM 2629 C C GLU 181 . . E 3 29.836 58.822 -23.324 1.00 20.2 ? C GLU 181 A 1 +ATOM 2630 O O GLU 181 . . E 3 29.337 57.940 -24.058 1.00 15.29 ? O GLU 181 A 1 +ATOM 2631 C CB GLU 181 . . E 3 30.547 60.829 -24.466 1.00 7.71 ? CB GLU 181 A 1 +ATOM 2632 C CG GLU 181 . . E 3 30.299 62.225 -24.954 1.00 19.11 ? CG GLU 181 A 1 +ATOM 2633 C CD GLU 181 . . E 3 30.716 63.312 -23.973 1.00 19.51 ? CD GLU 181 A 1 +ATOM 2634 O OE1 GLU 181 . . E 3 31.178 63.065 -22.842 1.00 18.05 ? OE1 GLU 181 A 1 +ATOM 2635 O OE2 GLU 181 . . E 3 30.564 64.468 -24.373 1.00 15.9 ? OE2 GLU 181 A 1 +ATOM 2636 N N THR 182 . . E 3 30.745 58.608 -22.368 1.00 16.75 ? N THR 182 A 1 +ATOM 2637 C CA THR 182 . . E 3 31.155 57.277 -22.011 1.00 11.14 ? CA THR 182 A 1 +ATOM 2638 C C THR 182 . . E 3 29.892 56.470 -21.708 1.00 6.71 ? C THR 182 A 1 +ATOM 2639 O O THR 182 . . E 3 29.692 55.371 -22.213 1.00 17.8 ? O THR 182 A 1 +ATOM 2640 C CB THR 182 . . E 3 32.061 57.319 -20.783 1.00 20.51 ? CB THR 182 A 1 +ATOM 2641 O OG1 THR 182 . . E 3 33.305 57.900 -21.163 1.00 16.04 ? OG1 THR 182 A 1 +ATOM 2642 C CG2 THR 182 . . E 3 32.362 55.907 -20.251 1.00 20.78 ? CG2 THR 182 A 1 +ATOM 2643 N N VAL 183 . . E 3 28.990 56.996 -20.908 1.00 8.47 ? N VAL 183 A 1 +ATOM 2644 C CA VAL 183 . . E 3 27.783 56.212 -20.644 1.00 8.53 ? CA VAL 183 A 1 +ATOM 2645 C C VAL 183 . . E 3 27.047 55.836 -21.945 1.00 12.75 ? C VAL 183 A 1 +ATOM 2646 O O VAL 183 . . E 3 26.710 54.681 -22.146 1.00 24.82 ? O VAL 183 A 1 +ATOM 2647 C CB VAL 183 . . E 3 26.863 57.027 -19.717 1.00 16.54 ? CB VAL 183 A 1 +ATOM 2648 C CG1 VAL 183 . . E 3 25.521 56.350 -19.529 1.00 9.01 ? CG1 VAL 183 A 1 +ATOM 2649 C CG2 VAL 183 . . E 3 27.594 57.204 -18.384 1.00 12.77 ? CG2 VAL 183 A 1 +ATOM 2650 N N GLY 184 . . E 3 26.854 56.800 -22.840 1.00 10.94 ? N GLY 184 A 1 +ATOM 2651 C CA GLY 184 . . E 3 26.093 56.595 -24.060 1.00 12.64 ? CA GLY 184 A 1 +ATOM 2652 C C GLY 184 . . E 3 26.602 55.435 -24.863 1.00 15.65 ? C GLY 184 A 1 +ATOM 2653 O O GLY 184 . . E 3 25.821 54.604 -25.353 1.00 21.22 ? O GLY 184 A 1 +ATOM 2654 N N ARG 185 . . E 3 27.924 55.399 -24.981 1.00 18.79 ? N ARG 185 A 1 +ATOM 2655 C CA ARG 185 . . E 3 28.606 54.355 -25.706 1.00 20.58 ? CA ARG 185 A 1 +ATOM 2656 C C ARG 185 . . E 3 28.425 53.024 -25.095 1.00 20.32 ? C ARG 185 A 1 +ATOM 2657 O O ARG 185 . . E 3 28.023 52.119 -25.791 1.00 24.49 ? O ARG 185 A 1 +ATOM 2658 C CB ARG 185 . . E 3 30.093 54.642 -25.786 1.00 26.61 ? CB ARG 185 A 1 +ATOM 2659 C CG ARG 185 . . E 3 30.390 55.638 -26.883 1.00 30.04 ? CG ARG 185 A 1 +ATOM 2660 C CD ARG 185 . . E 3 31.542 56.448 -26.507 1.00 31.45 ? CD ARG 185 A 1 +ATOM 2661 N NE ARG 185 . . E 3 31.848 57.444 -27.510 1.00 36.34 ? NE ARG 185 A 1 +ATOM 2662 C CZ ARG 185 . . E 3 32.635 58.474 -27.234 1.00 36.77 ? CZ ARG 185 A 1 +ATOM 2663 N NH1 ARG 185 . . E 3 32.902 59.354 -28.179 1.00 38.7 ? NH1 ARG 185 A 1 +ATOM 2664 N NH2 ARG 185 . . E 3 33.123 58.633 -25.998 1.00 33.17 ? NH2 ARG 185 A 1 +ATOM 2665 N N ILE 186 . . E 3 28.725 52.916 -23.800 1.00 15.33 ? N ILE 186 A 1 +ATOM 2666 C CA ILE 186 . . E 3 28.659 51.645 -23.090 1.00 10.88 ? CA ILE 186 A 1 +ATOM 2667 C C ILE 186 . . E 3 27.267 51.119 -23.198 1.00 7.58 ? C ILE 186 A 1 +ATOM 2668 O O ILE 186 . . E 3 27.046 49.959 -23.476 1.00 11.08 ? O ILE 186 A 1 +ATOM 2669 C CB ILE 186 . . E 3 28.965 51.761 -21.573 1.00 16.96 ? CB ILE 186 A 1 +ATOM 2670 C CG1 ILE 186 . . E 3 30.354 52.376 -21.298 1.00 14.97 ? CG1 ILE 186 A 1 +ATOM 2671 C CG2 ILE 186 . . E 3 28.878 50.371 -20.991 1.00 14.06 ? CG2 ILE 186 A 1 +ATOM 2672 C CD1 ILE 186 . . E 3 31.581 51.511 -21.684 1.00 25.24 ? CD1 ILE 186 A 1 +ATOM 2673 N N LEU 187 . . E 3 26.318 52.007 -22.979 1.00 8.42 ? N LEU 187 A 1 +ATOM 2674 C CA LEU 187 . . E 3 24.919 51.654 -23.011 1.00 11.91 ? CA LEU 187 A 1 +ATOM 2675 C C LEU 187 . . E 3 24.584 51.006 -24.336 1.00 16.01 ? C LEU 187 A 1 +ATOM 2676 O O LEU 187 . . E 3 23.778 50.071 -24.383 1.00 19.51 ? O LEU 187 A 1 +ATOM 2677 C CB LEU 187 . . E 3 24.068 52.916 -22.807 1.00 15.79 ? CB LEU 187 A 1 +ATOM 2678 C CG LEU 187 . . E 3 23.109 53.002 -21.630 1.00 13.01 ? CG LEU 187 A 1 +ATOM 2679 C CD1 LEU 187 . . E 3 23.912 53.154 -20.395 1.00 11.11 ? CD1 LEU 187 A 1 +ATOM 2680 C CD2 LEU 187 . . E 3 22.138 54.159 -21.812 1.00 7.64 ? CD2 LEU 187 A 1 +ATOM 2681 N N LYS 188 . . E 3 25.187 51.543 -25.409 1.00 30.17 ? N LYS 188 A 1 +ATOM 2682 C CA LYS 188 . . E 3 25.034 51.061 -26.791 1.00 34.6 ? CA LYS 188 A 1 +ATOM 2683 C C LYS 188 . . E 3 25.583 49.621 -26.887 1.00 33.97 ? C LYS 188 A 1 +ATOM 2684 O O LYS 188 . . E 3 24.856 48.695 -27.266 1.00 34.67 ? O LYS 188 A 1 +ATOM 2685 C CB LYS 188 . . E 3 25.810 51.985 -27.730 1.00 37.75 ? CB LYS 188 A 1 +ATOM 2686 C CG LYS 188 . . E 3 25.101 52.351 -29.020 1.00 48.7 ? CG LYS 188 A 1 +ATOM 2687 C CD LYS 188 . . E 3 25.928 53.400 -29.790 1.00 55 ? CD LYS 188 A 1 +ATOM 2688 C CE LYS 188 . . E 3 26.118 54.709 -28.991 1.00 52.68 ? CE LYS 188 A 1 +ATOM 2689 N NZ LYS 188 . . E 3 26.995 55.698 -29.680 1.00 47.03 ? NZ LYS 188 A 1 +ATOM 2690 N N MET 189 . . E 3 26.856 49.456 -26.522 1.00 22.9 ? N MET 189 A 1 +ATOM 2691 C CA MET 189 . . E 3 27.534 48.157 -26.483 1.00 22.26 ? CA MET 189 A 1 +ATOM 2692 C C MET 189 . . E 3 26.643 47.093 -25.810 1.00 25.82 ? C MET 189 A 1 +ATOM 2693 O O MET 189 . . E 3 26.380 46.045 -26.406 1.00 31.82 ? O MET 189 A 1 +ATOM 2694 C CB MET 189 . . E 3 28.843 48.326 -25.720 1.00 18.51 ? CB MET 189 A 1 +ATOM 2695 C CG MET 189 . . E 3 30.031 47.529 -26.237 1.00 21.59 ? CG MET 189 A 1 +ATOM 2696 S SD MET 189 . . E 3 31.599 48.175 -25.520 1.00 32.16 ? SD MET 189 A 1 +ATOM 2697 C CE MET 189 . . E 3 32.785 47.038 -26.205 1.00 27.39 ? CE MET 189 A 1 +ATOM 2698 N N LEU 190 . . E 3 26.143 47.379 -24.604 1.00 22.69 ? N LEU 190 A 1 +ATOM 2699 C CA LEU 190 . . E 3 25.262 46.472 -23.852 1.00 18.5 ? CA LEU 190 A 1 +ATOM 2700 C C LEU 190 . . E 3 24.003 46.110 -24.597 1.00 19.01 ? C LEU 190 A 1 +ATOM 2701 O O LEU 190 . . E 3 23.480 45.016 -24.464 1.00 20.28 ? O LEU 190 A 1 +ATOM 2702 C CB LEU 190 . . E 3 24.901 47.119 -22.522 1.00 12.97 ? CB LEU 190 A 1 +ATOM 2703 C CG LEU 190 . . E 3 26.079 47.008 -21.562 1.00 14.05 ? CG LEU 190 A 1 +ATOM 2704 C CD1 LEU 190 . . E 3 26.399 48.283 -20.799 1.00 11.88 ? CD1 LEU 190 A 1 +ATOM 2705 C CD2 LEU 190 . . E 3 25.707 45.862 -20.684 1.00 19.02 ? CD2 LEU 190 A 1 +ATOM 2706 N N GLU 191 . . E 3 23.485 47.040 -25.369 1.00 27.73 ? N GLU 191 A 1 +ATOM 2707 C CA GLU 191 . . E 3 22.298 46.729 -26.135 1.00 30.4 ? CA GLU 191 A 1 +ATOM 2708 C C GLU 191 . . E 3 22.707 45.788 -27.271 1.00 28.65 ? C GLU 191 A 1 +ATOM 2709 O O GLU 191 . . E 3 22.086 44.765 -27.474 1.00 33.58 ? O GLU 191 A 1 +ATOM 2710 C CB GLU 191 . . E 3 21.686 48.020 -26.691 1.00 25.77 ? CB GLU 191 A 1 +ATOM 2711 C CG GLU 191 . . E 3 20.186 47.905 -26.960 1.00 19.87 ? CG GLU 191 A 1 +ATOM 2712 C CD GLU 191 . . E 3 19.535 49.247 -27.251 1.00 28.45 ? CD GLU 191 A 1 +ATOM 2713 O OE1 GLU 191 . . E 3 18.290 49.252 -27.321 1.00 28.93 ? OE1 GLU 191 A 1 +ATOM 2714 O OE2 GLU 191 . . E 3 20.251 50.279 -27.403 1.00 32.26 ? OE2 GLU 191 A 1 +ATOM 2715 N N ASP 192 . . E 3 23.761 46.117 -27.999 1.00 15.74 ? N ASP 192 A 1 +ATOM 2716 C CA ASP 192 . . E 3 24.233 45.236 -29.046 1.00 15.17 ? CA ASP 192 A 1 +ATOM 2717 C C ASP 192 . . E 3 24.372 43.808 -28.520 1.00 21.74 ? C ASP 192 A 1 +ATOM 2718 O O ASP 192 . . E 3 24.078 42.866 -29.249 1.00 30.73 ? O ASP 192 A 1 +ATOM 2719 C CB ASP 192 . . E 3 25.594 45.687 -29.566 1.00 24.25 ? CB ASP 192 A 1 +ATOM 2720 C CG ASP 192 . . E 3 25.538 47.034 -30.254 1.00 36.14 ? CG ASP 192 A 1 +ATOM 2721 O OD1 ASP 192 . . E 3 24.445 47.423 -30.713 1.00 36.88 ? OD1 ASP 192 A 1 +ATOM 2722 O OD2 ASP 192 . . E 3 26.593 47.706 -30.346 1.00 44.01 ? OD2 ASP 192 A 1 +ATOM 2723 N N GLN 193 . . E 3 24.844 43.632 -27.280 1.00 19.56 ? N GLN 193 A 1 +ATOM 2724 C CA GLN 193 . . E 3 24.984 42.279 -26.712 1.00 10.28 ? CA GLN 193 A 1 +ATOM 2725 C C GLN 193 . . E 3 23.640 41.714 -26.327 1.00 11.96 ? C GLN 193 A 1 +ATOM 2726 O O GLN 193 . . E 3 23.527 40.537 -26.021 1.00 16.64 ? O GLN 193 A 1 +ATOM 2727 C CB GLN 193 . . E 3 25.870 42.284 -25.476 1.00 9.3 ? CB GLN 193 A 1 +ATOM 2728 C CG GLN 193 . . E 3 27.345 42.580 -25.736 1.00 10.66 ? CG GLN 193 A 1 +ATOM 2729 C CD GLN 193 . . E 3 28.131 42.582 -24.419 1.00 24.5 ? CD GLN 193 A 1 +ATOM 2730 O OE1 GLN 193 . . E 3 28.675 43.604 -24.022 1.00 30.4 ? OE1 GLN 193 A 1 +ATOM 2731 N NE2 GLN 193 . . E 3 28.181 41.446 -23.739 1.00 25.74 ? NE2 GLN 193 A 1 +ATOM 2732 N N ASN 194 . . E 3 22.641 42.582 -26.326 1.00 6 ? N ASN 194 A 1 +ATOM 2733 C CA ASN 194 . . E 3 21.233 42.279 -26.054 1.00 13.25 ? CA ASN 194 A 1 +ATOM 2734 C C ASN 194 . . E 3 20.955 42.179 -24.560 1.00 18.36 ? C ASN 194 A 1 +ATOM 2735 O O ASN 194 . . E 3 20.029 41.482 -24.131 1.00 32.17 ? O ASN 194 A 1 +ATOM 2736 C CB ASN 194 . . E 3 20.818 40.954 -26.727 1.00 27.73 ? CB ASN 194 A 1 +ATOM 2737 C CG ASN 194 . . E 3 21.199 40.871 -28.230 1.00 44.19 ? CG ASN 194 A 1 +ATOM 2738 O OD1 ASN 194 . . E 3 20.868 41.744 -29.030 1.00 50.76 ? OD1 ASN 194 A 1 +ATOM 2739 N ND2 ASN 194 . . E 3 21.889 39.786 -28.609 1.00 55 ? ND2 ASN 194 A 1 +ATOM 2740 N N LEU 195 . . E 3 21.744 42.887 -23.755 1.00 13.17 ? N LEU 195 A 1 +ATOM 2741 C CA LEU 195 . . E 3 21.591 42.850 -22.302 1.00 14.94 ? CA LEU 195 A 1 +ATOM 2742 C C LEU 195 . . E 3 20.598 43.877 -21.746 1.00 18.36 ? C LEU 195 A 1 +ATOM 2743 O O LEU 195 . . E 3 20.198 43.770 -20.601 1.00 14.45 ? O LEU 195 A 1 +ATOM 2744 C CB LEU 195 . . E 3 22.973 43.045 -21.640 1.00 11.28 ? CB LEU 195 A 1 +ATOM 2745 C CG LEU 195 . . E 3 23.847 41.776 -21.746 1.00 9.83 ? CG LEU 195 A 1 +ATOM 2746 C CD1 LEU 195 . . E 3 25.158 42.059 -21.127 1.00 6 ? CD1 LEU 195 A 1 +ATOM 2747 C CD2 LEU 195 . . E 3 23.211 40.584 -21.027 1.00 7.24 ? CD2 LEU 195 A 1 +ATOM 2748 N N ILE 196 . . E 3 20.193 44.862 -22.543 1.00 31.48 ? N ILE 196 A 1 +ATOM 2749 C CA ILE 196 . . E 3 19.250 45.918 -22.120 1.00 27.12 ? CA ILE 196 A 1 +ATOM 2750 C C ILE 196 . . E 3 18.582 46.506 -23.365 1.00 26.51 ? C ILE 196 A 1 +ATOM 2751 O O ILE 196 . . E 3 18.933 46.125 -24.472 1.00 20.22 ? O ILE 196 A 1 +ATOM 2752 C CB ILE 196 . . E 3 19.975 47.111 -21.381 1.00 19.68 ? CB ILE 196 A 1 +ATOM 2753 C CG1 ILE 196 . . E 3 20.829 47.921 -22.363 1.00 13.37 ? CG1 ILE 196 A 1 +ATOM 2754 C CG2 ILE 196 . . E 3 20.928 46.580 -20.332 1.00 18.05 ? CG2 ILE 196 A 1 +ATOM 2755 C CD1 ILE 196 . . E 3 21.673 49.028 -21.682 1.00 11.77 ? CD1 ILE 196 A 1 +ATOM 2756 N N SER 197 . . E 3 17.603 47.382 -23.206 1.00 24.29 ? N SER 197 A 1 +ATOM 2757 C CA SER 197 . . E 3 17.077 48.100 -24.354 1.00 20.89 ? CA SER 197 A 1 +ATOM 2758 C C SER 197 . . E 3 16.804 49.468 -23.793 1.00 24.85 ? C SER 197 A 1 +ATOM 2759 O O SER 197 . . E 3 16.241 49.606 -22.705 1.00 23.41 ? O SER 197 A 1 +ATOM 2760 C CB SER 197 . . E 3 15.795 47.473 -24.885 1.00 12.72 ? CB SER 197 A 1 +ATOM 2761 O OG SER 197 . . E 3 14.734 47.643 -23.993 1.00 16.09 ? OG SER 197 A 1 +ATOM 2762 N N ALA 198 . . E 3 17.239 50.475 -24.526 1.00 31.93 ? N ALA 198 A 1 +ATOM 2763 C CA ALA 198 . . E 3 17.156 51.854 -24.072 1.00 30.93 ? CA ALA 198 A 1 +ATOM 2764 C C ALA 198 . . E 3 16.503 52.786 -25.069 1.00 29.93 ? C ALA 198 A 1 +ATOM 2765 O O ALA 198 . . E 3 16.359 52.447 -26.216 1.00 33.61 ? O ALA 198 A 1 +ATOM 2766 C CB ALA 198 . . E 3 18.545 52.337 -23.776 1.00 30.54 ? CB ALA 198 A 1 +ATOM 2767 N N HIS 199 . . E 3 16.159 53.990 -24.624 1.00 38.11 ? N HIS 199 A 1 +ATOM 2768 C CA HIS 199 . . E 3 15.483 55.008 -25.451 1.00 36.12 ? CA HIS 199 A 1 +ATOM 2769 C C HIS 199 . . E 3 14.906 56.079 -24.477 1.00 35.84 ? C HIS 199 A 1 +ATOM 2770 O O HIS 199 . . E 3 13.855 56.647 -24.726 1.00 34.63 ? O HIS 199 A 1 +ATOM 2771 C CB HIS 199 . . E 3 14.393 54.274 -26.239 1.00 38.64 ? CB HIS 199 A 1 +ATOM 2772 C CG HIS 199 . . E 3 13.387 55.160 -26.881 1.00 50.54 ? CG HIS 199 A 1 +ATOM 2773 N ND1 HIS 199 . . E 3 12.048 55.106 -26.558 1.00 47.44 ? ND1 HIS 199 A 1 +ATOM 2774 C CD2 HIS 199 . . E 3 13.516 56.141 -27.809 1.00 50.46 ? CD2 HIS 199 A 1 +ATOM 2775 C CE1 HIS 199 . . E 3 11.387 56.013 -27.252 1.00 50.9 ? CE1 HIS 199 A 1 +ATOM 2776 N NE2 HIS 199 . . E 3 12.257 56.653 -28.018 1.00 53.55 ? NE2 HIS 199 A 1 +ATOM 2777 N N GLY 200 . . E 3 15.633 56.361 -23.393 1.00 40.6 ? N GLY 200 A 1 +ATOM 2778 C CA GLY 200 . . E 3 15.180 57.237 -22.306 1.00 38.26 ? CA GLY 200 A 1 +ATOM 2779 C C GLY 200 . . E 3 14.804 56.313 -21.127 1.00 39.05 ? C GLY 200 A 1 +ATOM 2780 O O GLY 200 . . E 3 15.325 56.376 -19.982 1.00 22.5 ? O GLY 200 A 1 +ATOM 2781 N N LYS 201 . . E 3 13.834 55.449 -21.403 1.00 40.63 ? N LYS 201 A 1 +ATOM 2782 C CA LYS 201 . . E 3 13.513 54.431 -20.435 1.00 39.59 ? CA LYS 201 A 1 +ATOM 2783 C C LYS 201 . . E 3 14.408 53.265 -20.819 1.00 36.65 ? C LYS 201 A 1 +ATOM 2784 O O LYS 201 . . E 3 14.655 53.040 -21.996 1.00 41.86 ? O LYS 201 A 1 +ATOM 2785 C CB LYS 201 . . E 3 12.014 54.072 -20.514 1.00 37.87 ? CB LYS 201 A 1 +ATOM 2786 C CG LYS 201 . . E 3 11.402 53.850 -21.875 1.00 38.9 ? CG LYS 201 A 1 +ATOM 2787 C CD LYS 201 . . E 3 11.902 52.585 -22.569 1.00 43.23 ? CD LYS 201 A 1 +ATOM 2788 C CE LYS 201 . . E 3 11.087 52.226 -23.844 1.00 44.23 ? CE LYS 201 A 1 +ATOM 2789 N NZ LYS 201 . . E 3 11.620 50.970 -24.482 1.00 41.29 ? NZ LYS 201 A 1 +ATOM 2790 N N THR 202 . . E 3 14.944 52.558 -19.840 1.00 28.72 ? N THR 202 A 1 +ATOM 2791 C CA THR 202 . . E 3 15.822 51.453 -20.150 1.00 19.94 ? CA THR 202 A 1 +ATOM 2792 C C THR 202 . . E 3 15.253 50.205 -19.575 1.00 18.34 ? C THR 202 A 1 +ATOM 2793 O O THR 202 . . E 3 14.516 50.265 -18.598 1.00 18.19 ? O THR 202 A 1 +ATOM 2794 C CB THR 202 . . E 3 17.185 51.635 -19.551 1.00 18.1 ? CB THR 202 A 1 +ATOM 2795 O OG1 THR 202 . . E 3 17.719 52.896 -19.955 1.00 22.06 ? OG1 THR 202 A 1 +ATOM 2796 C CG2 THR 202 . . E 3 18.123 50.582 -20.051 1.00 16.92 ? CG2 THR 202 A 1 +ATOM 2797 N N ILE 203 . . E 3 15.571 49.082 -20.193 1.00 12.33 ? N ILE 203 A 1 +ATOM 2798 C CA ILE 203 . . E 3 15.131 47.801 -19.689 1.00 17.49 ? CA ILE 203 A 1 +ATOM 2799 C C ILE 203 . . E 3 16.394 47.051 -19.385 1.00 20.87 ? C ILE 203 A 1 +ATOM 2800 O O ILE 203 . . E 3 17.320 47.026 -20.205 1.00 25.38 ? O ILE 203 A 1 +ATOM 2801 C CB ILE 203 . . E 3 14.324 46.957 -20.731 1.00 30.93 ? CB ILE 203 A 1 +ATOM 2802 C CG1 ILE 203 . . E 3 12.945 47.573 -20.950 1.00 29.56 ? CG1 ILE 203 A 1 +ATOM 2803 C CG2 ILE 203 . . E 3 14.214 45.513 -20.253 1.00 29.31 ? CG2 ILE 203 A 1 +ATOM 2804 C CD1 ILE 203 . . E 3 12.963 48.788 -21.845 1.00 39.12 ? CD1 ILE 203 A 1 +ATOM 2805 N N VAL 204 . . E 3 16.475 46.493 -18.189 1.00 22.88 ? N VAL 204 A 1 +ATOM 2806 C CA VAL 204 . . E 3 17.632 45.693 -17.845 1.00 19.38 ? CA VAL 204 A 1 +ATOM 2807 C C VAL 204 . . E 3 17.099 44.261 -18.011 1.00 24.35 ? C VAL 204 A 1 +ATOM 2808 O O VAL 204 . . E 3 15.936 43.974 -17.640 1.00 14.54 ? O VAL 204 A 1 +ATOM 2809 C CB VAL 204 . . E 3 18.048 45.966 -16.394 1.00 18.13 ? CB VAL 204 A 1 +ATOM 2810 C CG1 VAL 204 . . E 3 19.384 45.296 -16.098 1.00 21.2 ? CG1 VAL 204 A 1 +ATOM 2811 C CG2 VAL 204 . . E 3 18.130 47.463 -16.174 1.00 29.06 ? CG2 VAL 204 A 1 +ATOM 2812 N N VAL 205 . . E 3 17.949 43.395 -18.564 1.00 26.57 ? N VAL 205 A 1 +ATOM 2813 C CA VAL 205 . . E 3 17.664 41.974 -18.886 1.00 29.35 ? CA VAL 205 A 1 +ATOM 2814 C C VAL 205 . . E 3 17.006 41.936 -20.263 1.00 30.49 ? C VAL 205 A 1 +ATOM 2815 O O VAL 205 . . E 3 15.794 42.006 -20.424 1.00 24.27 ? O VAL 205 A 1 +ATOM 2816 C CB VAL 205 . . E 3 16.729 41.301 -17.811 1.00 27.54 ? CB VAL 205 A 1 +ATOM 2817 C CG1 VAL 205 . . E 3 16.268 39.902 -18.225 1.00 28.28 ? CG1 VAL 205 A 1 +ATOM 2818 C CG2 VAL 205 . . E 3 17.522 41.095 -16.563 1.00 34.11 ? CG2 VAL 205 A 1 +ATOM 2819 N N TYR 206 . . E 3 17.893 41.873 -21.254 1.00 37.63 ? N TYR 206 A 1 +ATOM 2820 C CA TYR 206 . . E 3 17.576 41.828 -22.675 1.00 43.47 ? CA TYR 206 A 1 +ATOM 2821 C C TYR 206 . . E 3 16.423 42.716 -23.135 1.00 48.68 ? C TYR 206 A 1 +ATOM 2822 O O TYR 206 . . E 3 15.748 43.405 -22.345 1.00 48.78 ? O TYR 206 A 1 +ATOM 2823 C CB TYR 206 . . E 3 17.299 40.342 -23.109 1.00 55 ? CB TYR 206 A 1 +ATOM 2824 C CG TYR 206 . . E 3 15.950 39.653 -22.778 1.00 55 ? CG TYR 206 A 1 +ATOM 2825 C CD1 TYR 206 . . E 3 15.838 38.702 -21.750 1.00 55 ? CD1 TYR 206 A 1 +ATOM 2826 C CD2 TYR 206 . . E 3 14.797 39.941 -23.516 1.00 55 ? CD2 TYR 206 A 1 +ATOM 2827 C CE1 TYR 206 . . E 3 14.603 38.048 -21.479 1.00 54.5 ? CE1 TYR 206 A 1 +ATOM 2828 C CE2 TYR 206 . . E 3 13.568 39.302 -23.258 1.00 55 ? CE2 TYR 206 A 1 +ATOM 2829 C CZ TYR 206 . . E 3 13.467 38.360 -22.242 1.00 55 ? CZ TYR 206 A 1 +ATOM 2830 O OH TYR 206 . . E 3 12.219 37.750 -22.026 1.00 55 ? OH TYR 206 A 1 +ATOM 2831 N N GLY 207 . . E 3 16.218 42.703 -24.439 1.00 50.28 ? N GLY 207 A 1 +ATOM 2832 C CA GLY 207 . . E 3 15.171 43.510 -25.023 1.00 48.38 ? CA GLY 207 A 1 +ATOM 2833 C C GLY 207 . . E 3 15.777 44.266 -26.180 1.00 48.9 ? C GLY 207 A 1 +ATOM 2834 O O GLY 207 . . E 3 15.061 45.093 -26.801 1.00 48.99 ? O GLY 207 A 1 +ATOM 2835 N N PRO 9 . . F 3 32.458 55.919 32.757 1.00 37.76 ? N PRO 9 B 1 +ATOM 2836 C CA PRO 9 . . F 3 31.061 56.308 33.040 1.00 42.32 ? CA PRO 9 B 1 +ATOM 2837 C C PRO 9 . . F 3 30.110 55.175 32.674 1.00 42.87 ? C PRO 9 B 1 +ATOM 2838 O O PRO 9 . . F 3 29.905 54.235 33.456 1.00 39.62 ? O PRO 9 B 1 +ATOM 2839 C CB PRO 9 . . F 3 30.821 57.571 32.223 1.00 40.69 ? CB PRO 9 B 1 +ATOM 2840 C CG PRO 9 . . F 3 31.619 57.247 30.946 1.00 41.95 ? CG PRO 9 B 1 +ATOM 2841 C CD PRO 9 . . F 3 32.907 56.647 31.525 1.00 43.1 ? CD PRO 9 B 1 +ATOM 2842 N N THR 10 . . F 3 29.529 55.270 31.484 1.00 43.95 ? N THR 10 B 1 +ATOM 2843 C CA THR 10 . . F 3 28.632 54.234 30.999 1.00 40.86 ? CA THR 10 B 1 +ATOM 2844 C C THR 10 . . F 3 29.481 53.006 30.641 1.00 36.55 ? C THR 10 B 1 +ATOM 2845 O O THR 10 . . F 3 29.137 51.878 30.967 1.00 34.19 ? O THR 10 B 1 +ATOM 2846 C CB THR 10 . . F 3 27.857 54.711 29.715 1.00 40.48 ? CB THR 10 B 1 +ATOM 2847 O OG1 THR 10 . . F 3 27.258 55.990 29.938 1.00 35.33 ? OG1 THR 10 B 1 +ATOM 2848 C CG2 THR 10 . . F 3 26.755 53.755 29.376 1.00 34.81 ? CG2 THR 10 B 1 +ATOM 2849 N N LEU 11 . . F 3 30.621 53.270 30.002 1.00 33.11 ? N LEU 11 B 1 +ATOM 2850 C CA LEU 11 . . F 3 31.501 52.225 29.469 1.00 36.38 ? CA LEU 11 B 1 +ATOM 2851 C C LEU 11 . . F 3 31.904 51.108 30.418 1.00 38.94 ? C LEU 11 B 1 +ATOM 2852 O O LEU 11 . . F 3 32.097 49.996 29.943 1.00 33.94 ? O LEU 11 B 1 +ATOM 2853 C CB LEU 11 . . F 3 32.805 52.824 28.912 1.00 27.13 ? CB LEU 11 B 1 +ATOM 2854 C CG LEU 11 . . F 3 32.748 53.835 27.772 1.00 23.02 ? CG LEU 11 B 1 +ATOM 2855 C CD1 LEU 11 . . F 3 34.161 53.918 27.222 1.00 27.23 ? CD1 LEU 11 B 1 +ATOM 2856 C CD2 LEU 11 . . F 3 31.807 53.430 26.663 1.00 6.56 ? CD2 LEU 11 B 1 +ATOM 2857 N N GLU 12 . . F 3 32.042 51.370 31.723 1.00 44.43 ? N GLU 12 B 1 +ATOM 2858 C CA GLU 12 . . F 3 32.478 50.310 32.626 1.00 40.52 ? CA GLU 12 B 1 +ATOM 2859 C C GLU 12 . . F 3 31.400 49.304 32.887 1.00 33.49 ? C GLU 12 B 1 +ATOM 2860 O O GLU 12 . . F 3 31.705 48.116 32.899 1.00 36.19 ? O GLU 12 B 1 +ATOM 2861 C CB GLU 12 . . F 3 32.976 50.894 33.965 1.00 46.7 ? CB GLU 12 B 1 +ATOM 2862 C CG GLU 12 . . F 3 34.478 51.375 33.932 1.00 47.64 ? CG GLU 12 B 1 +ATOM 2863 C CD GLU 12 . . F 3 35.526 50.240 33.665 1.00 51.36 ? CD GLU 12 B 1 +ATOM 2864 O OE1 GLU 12 . . F 3 35.124 49.076 33.400 1.00 52.48 ? OE1 GLU 12 B 1 +ATOM 2865 O OE2 GLU 12 . . F 3 36.759 50.496 33.726 1.00 50.54 ? OE2 GLU 12 B 1 +ATOM 2866 N N TRP 13 . . F 3 30.156 49.725 33.083 1.00 25.07 ? N TRP 13 B 1 +ATOM 2867 C CA TRP 13 . . F 3 29.129 48.710 33.260 1.00 27.05 ? CA TRP 13 B 1 +ATOM 2868 C C TRP 13 . . F 3 29.084 47.877 31.964 1.00 31.78 ? C TRP 13 B 1 +ATOM 2869 O O TRP 13 . . F 3 28.862 46.654 31.996 1.00 37.55 ? O TRP 13 B 1 +ATOM 2870 C CB TRP 13 . . F 3 27.762 49.348 33.511 1.00 26.56 ? CB TRP 13 B 1 +ATOM 2871 C CG TRP 13 . . F 3 26.905 49.489 32.315 1.00 29.3 ? CG TRP 13 B 1 +ATOM 2872 C CD1 TRP 13 . . F 3 27.130 50.276 31.229 1.00 27.96 ? CD1 TRP 13 B 1 +ATOM 2873 C CD2 TRP 13 . . F 3 25.660 48.824 32.077 1.00 30.19 ? CD2 TRP 13 B 1 +ATOM 2874 N NE1 TRP 13 . . F 3 26.103 50.154 30.317 1.00 27.93 ? NE1 TRP 13 B 1 +ATOM 2875 C CE2 TRP 13 . . F 3 25.183 49.269 30.810 1.00 39.66 ? CE2 TRP 13 B 1 +ATOM 2876 C CE3 TRP 13 . . F 3 24.896 47.899 32.806 1.00 27.46 ? CE3 TRP 13 B 1 +ATOM 2877 C CZ2 TRP 13 . . F 3 23.972 48.819 30.253 1.00 42.68 ? CZ2 TRP 13 B 1 +ATOM 2878 C CZ3 TRP 13 . . F 3 23.690 47.449 32.256 1.00 35.1 ? CZ3 TRP 13 B 1 +ATOM 2879 C CH2 TRP 13 . . F 3 23.243 47.913 30.988 1.00 43.87 ? CH2 TRP 13 B 1 +ATOM 2880 N N PHE 14 . . F 3 29.297 48.558 30.826 1.00 38.54 ? N PHE 14 B 1 +ATOM 2881 C CA PHE 14 . . F 3 29.356 47.941 29.480 1.00 28.83 ? CA PHE 14 B 1 +ATOM 2882 C C PHE 14 . . F 3 30.544 47.004 29.408 1.00 27.84 ? C PHE 14 B 1 +ATOM 2883 O O PHE 14 . . F 3 30.401 45.804 29.175 1.00 28.9 ? O PHE 14 B 1 +ATOM 2884 C CB PHE 14 . . F 3 29.518 49.032 28.378 1.00 30.58 ? CB PHE 14 B 1 +ATOM 2885 C CG PHE 14 . . F 3 29.981 48.524 26.987 1.00 19.41 ? CG PHE 14 B 1 +ATOM 2886 C CD1 PHE 14 . . F 3 29.073 48.013 26.063 1.00 17.79 ? CD1 PHE 14 B 1 +ATOM 2887 C CD2 PHE 14 . . F 3 31.321 48.543 26.652 1.00 13.08 ? CD2 PHE 14 B 1 +ATOM 2888 C CE1 PHE 14 . . F 3 29.489 47.537 24.866 1.00 14.72 ? CE1 PHE 14 B 1 +ATOM 2889 C CE2 PHE 14 . . F 3 31.736 48.073 25.472 1.00 13.06 ? CE2 PHE 14 B 1 +ATOM 2890 C CZ PHE 14 . . F 3 30.811 47.558 24.566 1.00 16.63 ? CZ PHE 14 B 1 +ATOM 2891 N N LEU 15 . . F 3 31.710 47.570 29.681 1.00 17.39 ? N LEU 15 B 1 +ATOM 2892 C CA LEU 15 . . F 3 32.948 46.865 29.526 1.00 22.6 ? CA LEU 15 B 1 +ATOM 2893 C C LEU 15 . . F 3 33.068 45.781 30.536 1.00 24.82 ? C LEU 15 B 1 +ATOM 2894 O O LEU 15 . . F 3 34.022 45.025 30.483 1.00 33.6 ? O LEU 15 B 1 +ATOM 2895 C CB LEU 15 . . F 3 34.126 47.861 29.642 1.00 39.7 ? CB LEU 15 B 1 +ATOM 2896 C CG LEU 15 . . F 3 35.397 47.719 28.729 1.00 53.9 ? CG LEU 15 B 1 +ATOM 2897 C CD1 LEU 15 . . F 3 36.286 48.993 28.907 1.00 50.82 ? CD1 LEU 15 B 1 +ATOM 2898 C CD2 LEU 15 . . F 3 36.197 46.417 29.087 1.00 54.49 ? CD2 LEU 15 B 1 +ATOM 2899 N N SER 16 . . F 3 32.118 45.699 31.465 1.00 37.79 ? N SER 16 B 1 +ATOM 2900 C CA SER 16 . . F 3 32.175 44.635 32.463 1.00 39.52 ? CA SER 16 B 1 +ATOM 2901 C C SER 16 . . F 3 31.641 43.343 31.842 1.00 37.51 ? C SER 16 B 1 +ATOM 2902 O O SER 16 . . F 3 32.288 42.302 31.899 1.00 39.32 ? O SER 16 B 1 +ATOM 2903 C CB SER 16 . . F 3 31.343 45.027 33.740 1.00 41.54 ? CB SER 16 B 1 +ATOM 2904 O OG SER 16 . . F 3 29.903 45.029 33.661 1.00 27.56 ? OG SER 16 B 1 +ATOM 2905 N N HIS 17 . . F 3 30.493 43.437 31.192 1.00 34.03 ? N HIS 17 B 1 +ATOM 2906 C CA HIS 17 . . F 3 29.834 42.292 30.577 1.00 34.83 ? CA HIS 17 B 1 +ATOM 2907 C C HIS 17 . . F 3 30.555 41.664 29.381 1.00 35.6 ? C HIS 17 B 1 +ATOM 2908 O O HIS 17 . . F 3 30.018 40.742 28.757 1.00 36.69 ? O HIS 17 B 1 +ATOM 2909 C CB HIS 17 . . F 3 28.434 42.704 30.129 1.00 37.55 ? CB HIS 17 B 1 +ATOM 2910 C CG HIS 17 . . F 3 27.521 43.070 31.257 1.00 47.45 ? CG HIS 17 B 1 +ATOM 2911 N ND1 HIS 17 . . F 3 27.926 43.843 32.328 1.00 41.72 ? ND1 HIS 17 B 1 +ATOM 2912 C CD2 HIS 17 . . F 3 26.220 42.758 31.484 1.00 47.41 ? CD2 HIS 17 B 1 +ATOM 2913 C CE1 HIS 17 . . F 3 26.913 43.988 33.165 1.00 44.66 ? CE1 HIS 17 B 1 +ATOM 2914 N NE2 HIS 17 . . F 3 25.867 43.340 32.677 1.00 36.89 ? NE2 HIS 17 B 1 +ATOM 2915 N N CYS 18 . . F 3 31.743 42.135 29.029 1.00 35.27 ? N CYS 18 B 1 +ATOM 2916 C CA CYS 18 . . F 3 32.412 41.573 27.848 1.00 41.77 ? CA CYS 18 B 1 +ATOM 2917 C C CYS 18 . . F 3 33.527 40.563 28.133 1.00 36.56 ? C CYS 18 B 1 +ATOM 2918 O O CYS 18 . . F 3 34.124 40.568 29.207 1.00 37.26 ? O CYS 18 B 1 +ATOM 2919 C CB CYS 18 . . F 3 33.034 42.693 26.979 1.00 49.42 ? CB CYS 18 B 1 +ATOM 2920 S SG CYS 18 . . F 3 31.923 43.822 26.055 1.00 41.66 ? SG CYS 18 B 1 +ATOM 2921 N N HIS 19 . . F 3 33.803 39.694 27.162 1.00 25.23 ? N HIS 19 B 1 +ATOM 2922 C CA HIS 19 . . F 3 34.932 38.799 27.287 1.00 22.22 ? CA HIS 19 B 1 +ATOM 2923 C C HIS 19 . . F 3 36.066 39.503 26.587 1.00 21.14 ? C HIS 19 B 1 +ATOM 2924 O O HIS 19 . . F 3 35.923 39.970 25.462 1.00 34.45 ? O HIS 19 B 1 +ATOM 2925 C CB HIS 19 . . F 3 34.524 37.484 26.671 1.00 16.66 ? CB HIS 19 B 1 +ATOM 2926 C CG HIS 19 . . F 3 33.458 36.834 27.491 1.00 31.62 ? CG HIS 19 B 1 +ATOM 2927 N ND1 HIS 19 . . F 3 32.145 37.253 27.463 1.00 34.38 ? ND1 HIS 19 B 1 +ATOM 2928 C CD2 HIS 19 . . F 3 33.520 35.863 28.430 1.00 27.12 ? CD2 HIS 19 B 1 +ATOM 2929 C CE1 HIS 19 . . F 3 31.444 36.573 28.356 1.00 27.9 ? CE1 HIS 19 B 1 +ATOM 2930 N NE2 HIS 19 . . F 3 32.255 35.726 28.954 1.00 23.94 ? NE2 HIS 19 B 1 +ATOM 2931 N N ILE 20 . . F 3 37.188 39.622 27.257 1.00 13.35 ? N ILE 20 B 1 +ATOM 2932 C CA ILE 20 . . F 3 38.245 40.424 26.695 1.00 10.09 ? CA ILE 20 B 1 +ATOM 2933 C C ILE 20 . . F 3 39.350 39.611 26.046 1.00 15.22 ? C ILE 20 B 1 +ATOM 2934 O O ILE 20 . . F 3 39.764 38.631 26.663 1.00 20.27 ? O ILE 20 B 1 +ATOM 2935 C CB ILE 20 . . F 3 38.849 41.299 27.802 1.00 14.23 ? CB ILE 20 B 1 +ATOM 2936 C CG1 ILE 20 . . F 3 37.699 41.896 28.659 1.00 16.48 ? CG1 ILE 20 B 1 +ATOM 2937 C CG2 ILE 20 . . F 3 39.787 42.345 27.166 1.00 12.88 ? CG2 ILE 20 B 1 +ATOM 2938 C CD1 ILE 20 . . F 3 36.555 42.638 27.965 1.00 16.05 ? CD1 ILE 20 B 1 +ATOM 2939 N N HIS 21 . . F 3 39.869 40.024 24.862 1.00 14.39 ? N HIS 21 B 1 +ATOM 2940 C CA HIS 21 . . F 3 40.975 39.276 24.215 1.00 9.36 ? CA HIS 21 B 1 +ATOM 2941 C C HIS 21 . . F 3 42.106 40.157 23.700 1.00 10.34 ? C HIS 21 B 1 +ATOM 2942 O O HIS 21 . . F 3 41.943 41.314 23.339 1.00 15.95 ? O HIS 21 B 1 +ATOM 2943 C CB HIS 21 . . F 3 40.477 38.436 23.008 1.00 22.76 ? CB HIS 21 B 1 +ATOM 2944 C CG HIS 21 . . F 3 39.189 37.702 23.244 1.00 26.39 ? CG HIS 21 B 1 +ATOM 2945 N ND1 HIS 21 . . F 3 37.955 38.266 22.981 1.00 33.2 ? ND1 HIS 21 B 1 +ATOM 2946 C CD2 HIS 21 . . F 3 38.940 36.453 23.705 1.00 34.96 ? CD2 HIS 21 B 1 +ATOM 2947 C CE1 HIS 21 . . F 3 37.003 37.395 23.264 1.00 32.45 ? CE1 HIS 21 B 1 +ATOM 2948 N NE2 HIS 21 . . F 3 37.573 36.287 23.706 1.00 35.08 ? NE2 HIS 21 B 1 +ATOM 2949 N N LYS 22 . . F 3 43.274 39.567 23.662 1.00 6 ? N LYS 22 B 1 +ATOM 2950 C CA LYS 22 . . F 3 44.432 40.253 23.210 1.00 14.86 ? CA LYS 22 B 1 +ATOM 2951 C C LYS 22 . . F 3 44.866 39.660 21.838 1.00 22.98 ? C LYS 22 B 1 +ATOM 2952 O O LYS 22 . . F 3 45.241 38.490 21.754 1.00 38.29 ? O LYS 22 B 1 +ATOM 2953 C CB LYS 22 . . F 3 45.559 40.098 24.248 1.00 21.82 ? CB LYS 22 B 1 +ATOM 2954 C CG LYS 22 . . F 3 45.213 40.498 25.686 1.00 34.06 ? CG LYS 22 B 1 +ATOM 2955 C CD LYS 22 . . F 3 46.432 40.936 26.557 1.00 36.98 ? CD LYS 22 B 1 +ATOM 2956 C CE LYS 22 . . F 3 47.552 39.891 26.815 1.00 43.07 ? CE LYS 22 B 1 +ATOM 2957 N NZ LYS 22 . . F 3 48.615 39.675 25.751 1.00 44.52 ? NZ LYS 22 B 1 +ATOM 2958 N N TYR 23 . . F 3 44.788 40.435 20.760 1.00 18 ? N TYR 23 B 1 +ATOM 2959 C CA TYR 23 . . F 3 45.190 39.969 19.449 1.00 14.94 ? CA TYR 23 B 1 +ATOM 2960 C C TYR 23 . . F 3 46.593 40.414 19.156 1.00 14.27 ? C TYR 23 B 1 +ATOM 2961 O O TYR 23 . . F 3 46.896 41.585 19.308 1.00 19.55 ? O TYR 23 B 1 +ATOM 2962 C CB TYR 23 . . F 3 44.263 40.534 18.400 1.00 21.04 ? CB TYR 23 B 1 +ATOM 2963 C CG TYR 23 . . F 3 42.893 39.944 18.419 1.00 16.74 ? CG TYR 23 B 1 +ATOM 2964 C CD1 TYR 23 . . F 3 42.608 38.779 17.694 1.00 21.43 ? CD1 TYR 23 B 1 +ATOM 2965 C CD2 TYR 23 . . F 3 41.878 40.534 19.128 1.00 18.4 ? CD2 TYR 23 B 1 +ATOM 2966 C CE1 TYR 23 . . F 3 41.326 38.222 17.683 1.00 14.61 ? CE1 TYR 23 B 1 +ATOM 2967 C CE2 TYR 23 . . F 3 40.593 39.977 19.118 1.00 18.09 ? CE2 TYR 23 B 1 +ATOM 2968 C CZ TYR 23 . . F 3 40.344 38.828 18.390 1.00 6 ? CZ TYR 23 B 1 +ATOM 2969 O OH TYR 23 . . F 3 39.087 38.327 18.342 1.00 14.48 ? OH TYR 23 B 1 +ATOM 2970 N N PRO 24 . . F 3 47.478 39.502 18.755 1.00 6.77 ? N PRO 24 B 1 +ATOM 2971 C CA PRO 24 . . F 3 48.831 39.891 18.326 1.00 8.53 ? CA PRO 24 B 1 +ATOM 2972 C C PRO 24 . . F 3 48.743 40.735 17.073 1.00 11.19 ? C PRO 24 B 1 +ATOM 2973 O O PRO 24 . . F 3 47.733 40.685 16.377 1.00 9.24 ? O PRO 24 B 1 +ATOM 2974 C CB PRO 24 . . F 3 49.538 38.553 18.130 1.00 6 ? CB PRO 24 B 1 +ATOM 2975 C CG PRO 24 . . F 3 48.407 37.704 17.602 1.00 9.82 ? CG PRO 24 B 1 +ATOM 2976 C CD PRO 24 . . F 3 47.328 38.035 18.651 1.00 8.28 ? CD PRO 24 B 1 +ATOM 2977 N N SER 25 . . F 3 49.771 41.501 16.770 1.00 13.72 ? N SER 25 B 1 +ATOM 2978 C CA SER 25 . . F 3 49.722 42.307 15.561 1.00 21.63 ? CA SER 25 B 1 +ATOM 2979 C C SER 25 . . F 3 49.718 41.439 14.294 1.00 17.59 ? C SER 25 B 1 +ATOM 2980 O O SER 25 . . F 3 50.435 40.447 14.196 1.00 23.55 ? O SER 25 B 1 +ATOM 2981 C CB SER 25 . . F 3 50.914 43.246 15.524 1.00 19.72 ? CB SER 25 B 1 +ATOM 2982 O OG SER 25 . . F 3 52.113 42.521 15.645 1.00 31.54 ? OG SER 25 B 1 +ATOM 2983 N N LYS 26 . . F 3 48.887 41.871 13.352 1.00 19.23 ? N LYS 26 B 1 +ATOM 2984 C CA LYS 26 . . F 3 48.616 41.300 12.024 1.00 20.75 ? CA LYS 26 B 1 +ATOM 2985 C C LYS 26 . . F 3 47.551 40.231 12.078 1.00 16.14 ? C LYS 26 B 1 +ATOM 2986 O O LYS 26 . . F 3 47.210 39.642 11.055 1.00 18.18 ? O LYS 26 B 1 +ATOM 2987 C CB LYS 26 . . F 3 49.895 40.709 11.407 1.00 25.5 ? CB LYS 26 B 1 +ATOM 2988 C CG LYS 26 . . F 3 49.710 39.829 10.156 1.00 40.29 ? CG LYS 26 B 1 +ATOM 2989 C CD LYS 26 . . F 3 49.004 40.462 8.917 1.00 34.06 ? CD LYS 26 B 1 +ATOM 2990 C CE LYS 26 . . F 3 49.688 41.738 8.396 1.00 33.9 ? CE LYS 26 B 1 +ATOM 2991 N NZ LYS 26 . . F 3 51.180 41.653 8.255 1.00 31.77 ? NZ LYS 26 B 1 +ATOM 2992 N N SER 27 . . F 3 46.969 39.987 13.248 1.00 17.89 ? N SER 27 B 1 +ATOM 2993 C CA SER 27 . . F 3 45.950 38.946 13.231 1.00 16.83 ? CA SER 27 B 1 +ATOM 2994 C C SER 27 . . F 3 44.657 39.424 12.561 1.00 19.61 ? C SER 27 B 1 +ATOM 2995 O O SER 27 . . F 3 44.398 40.603 12.302 1.00 9.87 ? O SER 27 B 1 +ATOM 2996 C CB SER 27 . . F 3 45.651 38.421 14.676 1.00 15.62 ? CB SER 27 B 1 +ATOM 2997 O OG SER 27 . . F 3 45.285 39.360 15.681 1.00 13.75 ? OG SER 27 B 1 +ATOM 2998 N N THR 28 . . F 3 43.825 38.462 12.260 1.00 21.25 ? N THR 28 B 1 +ATOM 2999 C CA THR 28 . . F 3 42.620 38.758 11.555 1.00 20.93 ? CA THR 28 B 1 +ATOM 3000 C C THR 28 . . F 3 41.431 38.665 12.505 1.00 25.98 ? C THR 28 B 1 +ATOM 3001 O O THR 28 . . F 3 40.951 37.562 12.795 1.00 31.52 ? O THR 28 B 1 +ATOM 3002 C CB THR 28 . . F 3 42.567 37.767 10.385 1.00 15.71 ? CB THR 28 B 1 +ATOM 3003 O OG1 THR 28 . . F 3 43.717 37.982 9.540 1.00 13.94 ? OG1 THR 28 B 1 +ATOM 3004 C CG2 THR 28 . . F 3 41.322 37.932 9.610 1.00 9.93 ? CG2 THR 28 B 1 +ATOM 3005 N N LEU 29 . . F 3 40.975 39.817 13.011 1.00 18.06 ? N LEU 29 B 1 +ATOM 3006 C CA LEU 29 . . F 3 39.830 39.864 13.918 1.00 9.45 ? CA LEU 29 B 1 +ATOM 3007 C C LEU 29 . . F 3 38.568 39.478 13.247 1.00 6 ? C LEU 29 B 1 +ATOM 3008 O O LEU 29 . . F 3 37.780 38.767 13.826 1.00 7.91 ? O LEU 29 B 1 +ATOM 3009 C CB LEU 29 . . F 3 39.578 41.250 14.484 1.00 10.97 ? CB LEU 29 B 1 +ATOM 3010 C CG LEU 29 . . F 3 40.511 42.023 15.422 1.00 22.39 ? CG LEU 29 B 1 +ATOM 3011 C CD1 LEU 29 . . F 3 39.795 42.264 16.788 1.00 13.4 ? CD1 LEU 29 B 1 +ATOM 3012 C CD2 LEU 29 . . F 3 41.848 41.277 15.479 1.00 6 ? CD2 LEU 29 B 1 +ATOM 3013 N N ILE 30 . . F 3 38.361 39.981 12.031 1.00 8.21 ? N ILE 30 B 1 +ATOM 3014 C CA ILE 30 . . F 3 37.118 39.760 11.280 1.00 6.64 ? CA ILE 30 B 1 +ATOM 3015 C C ILE 30 . . F 3 37.375 39.366 9.802 1.00 14.5 ? C ILE 30 B 1 +ATOM 3016 O O ILE 30 . . F 3 38.346 39.835 9.198 1.00 8.89 ? O ILE 30 B 1 +ATOM 3017 C CB ILE 30 . . F 3 36.272 41.042 11.312 1.00 12.51 ? CB ILE 30 B 1 +ATOM 3018 C CG1 ILE 30 . . F 3 35.933 41.408 12.752 1.00 12.57 ? CG1 ILE 30 B 1 +ATOM 3019 C CG2 ILE 30 . . F 3 35.016 40.842 10.538 1.00 10.78 ? CG2 ILE 30 B 1 +ATOM 3020 C CD1 ILE 30 . . F 3 34.920 42.511 12.843 1.00 6 ? CD1 ILE 30 B 1 +ATOM 3021 N N HIS 31 . . F 3 36.509 38.514 9.235 1.00 7.83 ? N HIS 31 B 1 +ATOM 3022 C CA HIS 31 . . F 3 36.632 38.072 7.842 1.00 14.58 ? CA HIS 31 B 1 +ATOM 3023 C C HIS 31 . . F 3 35.425 38.523 7.030 1.00 17.66 ? C HIS 31 B 1 +ATOM 3024 O O HIS 31 . . F 3 34.288 38.497 7.512 1.00 24.15 ? O HIS 31 B 1 +ATOM 3025 C CB HIS 31 . . F 3 36.697 36.523 7.700 1.00 31.78 ? CB HIS 31 B 1 +ATOM 3026 C CG HIS 31 . . F 3 38.009 35.895 8.074 1.00 37.88 ? CG HIS 31 B 1 +ATOM 3027 N ND1 HIS 31 . . F 3 38.341 35.561 9.372 1.00 39.86 ? ND1 HIS 31 B 1 +ATOM 3028 C CD2 HIS 31 . . F 3 39.070 35.531 7.310 1.00 46.34 ? CD2 HIS 31 B 1 +ATOM 3029 C CE1 HIS 31 . . F 3 39.549 35.021 9.390 1.00 41.14 ? CE1 HIS 31 B 1 +ATOM 3030 N NE2 HIS 31 . . F 3 40.015 34.991 8.154 1.00 37.98 ? NE2 HIS 31 B 1 +ATOM 3031 N N GLN 32 . . F 3 35.636 38.909 5.781 1.00 23.12 ? N GLN 32 B 1 +ATOM 3032 C CA GLN 32 . . F 3 34.471 39.302 5.006 1.00 27.47 ? CA GLN 32 B 1 +ATOM 3033 C C GLN 32 . . F 3 33.542 38.136 4.834 1.00 27.1 ? C GLN 32 B 1 +ATOM 3034 O O GLN 32 . . F 3 34.002 37.025 4.604 1.00 38.08 ? O GLN 32 B 1 +ATOM 3035 C CB GLN 32 . . F 3 34.827 39.783 3.605 1.00 32.49 ? CB GLN 32 B 1 +ATOM 3036 C CG GLN 32 . . F 3 35.245 41.228 3.504 1.00 39.62 ? CG GLN 32 B 1 +ATOM 3037 C CD GLN 32 . . F 3 34.943 41.821 2.134 1.00 38.88 ? CD GLN 32 B 1 +ATOM 3038 O OE1 GLN 32 . . F 3 33.786 41.847 1.705 1.00 35.87 ? OE1 GLN 32 B 1 +ATOM 3039 N NE2 GLN 32 . . F 3 35.977 42.309 1.445 1.00 43.99 ? NE2 GLN 32 B 1 +ATOM 3040 N N GLY 33 . . F 3 32.251 38.383 4.985 1.00 19.84 ? N GLY 33 B 1 +ATOM 3041 C CA GLY 33 . . F 3 31.256 37.359 4.727 1.00 14.69 ? CA GLY 33 B 1 +ATOM 3042 C C GLY 33 . . F 3 30.890 36.465 5.891 1.00 18.41 ? C GLY 33 B 1 +ATOM 3043 O O GLY 33 . . F 3 29.826 35.823 5.820 1.00 21.7 ? O GLY 33 B 1 +ATOM 3044 N N GLU 34 . . F 3 31.728 36.395 6.927 1.00 11.4 ? N GLU 34 B 1 +ATOM 3045 C CA GLU 34 . . F 3 31.463 35.538 8.085 1.00 11.02 ? CA GLU 34 B 1 +ATOM 3046 C C GLU 34 . . F 3 30.179 36.038 8.678 1.00 11.2 ? C GLU 34 B 1 +ATOM 3047 O O GLU 34 . . F 3 29.910 37.206 8.539 1.00 24.91 ? O GLU 34 B 1 +ATOM 3048 C CB GLU 34 . . F 3 32.698 35.651 9.006 1.00 20.14 ? CB GLU 34 B 1 +ATOM 3049 C CG GLU 34 . . F 3 32.679 35.007 10.403 1.00 37.34 ? CG GLU 34 B 1 +ATOM 3050 C CD GLU 34 . . F 3 32.150 35.977 11.461 1.00 41.39 ? CD GLU 34 B 1 +ATOM 3051 O OE1 GLU 34 . . F 3 30.928 35.972 11.661 1.00 36.54 ? OE1 GLU 34 B 1 +ATOM 3052 O OE2 GLU 34 . . F 3 32.944 36.754 12.073 1.00 37.97 ? OE2 GLU 34 B 1 +ATOM 3053 N N LYS 35 . . F 3 29.359 35.184 9.294 1.00 29.11 ? N LYS 35 B 1 +ATOM 3054 C CA LYS 35 . . F 3 28.042 35.638 9.800 1.00 34.78 ? CA LYS 35 B 1 +ATOM 3055 C C LYS 35 . . F 3 28.166 36.400 11.121 1.00 35.6 ? C LYS 35 B 1 +ATOM 3056 O O LYS 35 . . F 3 28.685 35.915 12.129 1.00 29.45 ? O LYS 35 B 1 +ATOM 3057 C CB LYS 35 . . F 3 27.069 34.423 9.962 1.00 33.41 ? CB LYS 35 B 1 +ATOM 3058 C CG LYS 35 . . F 3 27.248 33.480 11.157 1.00 26.13 ? CG LYS 35 B 1 +ATOM 3059 C CD LYS 35 . . F 3 28.690 32.949 11.277 1.00 41.93 ? CD LYS 35 B 1 +ATOM 3060 C CE LYS 35 . . F 3 29.021 31.600 10.585 1.00 46.62 ? CE LYS 35 B 1 +ATOM 3061 N NZ LYS 35 . . F 3 28.726 30.406 11.477 1.00 44.71 ? NZ LYS 35 B 1 +ATOM 3062 N N ALA 36 . . F 3 27.643 37.619 11.074 1.00 37.64 ? N ALA 36 B 1 +ATOM 3063 C CA ALA 36 . . F 3 27.747 38.576 12.148 1.00 33.6 ? CA ALA 36 B 1 +ATOM 3064 C C ALA 36 . . F 3 26.949 38.271 13.383 1.00 29.25 ? C ALA 36 B 1 +ATOM 3065 O O ALA 36 . . F 3 25.741 38.420 13.363 1.00 26.96 ? O ALA 36 B 1 +ATOM 3066 C CB ALA 36 . . F 3 27.347 39.900 11.624 1.00 27.74 ? CB ALA 36 B 1 +ATOM 3067 N N GLU 37 . . F 3 27.636 37.904 14.467 1.00 37.26 ? N GLU 37 B 1 +ATOM 3068 C CA GLU 37 . . F 3 26.992 37.622 15.753 1.00 37.4 ? CA GLU 37 B 1 +ATOM 3069 C C GLU 37 . . F 3 27.598 38.398 16.951 1.00 35.41 ? C GLU 37 B 1 +ATOM 3070 O O GLU 37 . . F 3 26.900 38.592 17.954 1.00 34.05 ? O GLU 37 B 1 +ATOM 3071 C CB GLU 37 . . F 3 27.069 36.124 16.067 1.00 34.07 ? CB GLU 37 B 1 +ATOM 3072 C CG GLU 37 . . F 3 25.950 35.680 16.987 1.00 44.03 ? CG GLU 37 B 1 +ATOM 3073 C CD GLU 37 . . F 3 24.600 35.877 16.308 1.00 50.13 ? CD GLU 37 B 1 +ATOM 3074 O OE1 GLU 37 . . F 3 24.542 35.590 15.087 1.00 53.63 ? OE1 GLU 37 B 1 +ATOM 3075 O OE2 GLU 37 . . F 3 23.613 36.313 16.957 1.00 45.09 ? OE2 GLU 37 B 1 +ATOM 3076 N N THR 38 . . F 3 28.856 38.842 16.861 1.00 27.87 ? N THR 38 B 1 +ATOM 3077 C CA THR 38 . . F 3 29.537 39.546 17.968 1.00 26.76 ? CA THR 38 B 1 +ATOM 3078 C C THR 38 . . F 3 29.883 41.022 17.769 1.00 25.94 ? C THR 38 B 1 +ATOM 3079 O O THR 38 . . F 3 30.399 41.380 16.714 1.00 25.29 ? O THR 38 B 1 +ATOM 3080 C CB THR 38 . . F 3 30.837 38.899 18.285 1.00 29.73 ? CB THR 38 B 1 +ATOM 3081 O OG1 THR 38 . . F 3 31.516 38.660 17.043 1.00 36.73 ? OG1 THR 38 B 1 +ATOM 3082 C CG2 THR 38 . . F 3 30.638 37.596 19.036 1.00 46.43 ? CG2 THR 38 B 1 +ATOM 3083 N N LEU 39 . . F 3 29.636 41.875 18.766 1.00 20.3 ? N LEU 39 B 1 +ATOM 3084 C CA LEU 39 . . F 3 30.067 43.285 18.663 1.00 19.19 ? CA LEU 39 B 1 +ATOM 3085 C C LEU 39 . . F 3 31.437 43.296 19.303 1.00 19.01 ? C LEU 39 B 1 +ATOM 3086 O O LEU 39 . . F 3 31.714 42.361 20.046 1.00 30.91 ? O LEU 39 B 1 +ATOM 3087 C CB LEU 39 . . F 3 29.139 44.271 19.445 1.00 18.04 ? CB LEU 39 B 1 +ATOM 3088 C CG LEU 39 . . F 3 29.412 45.805 19.280 1.00 29.51 ? CG LEU 39 B 1 +ATOM 3089 C CD1 LEU 39 . . F 3 29.040 46.325 17.857 1.00 18.65 ? CD1 LEU 39 B 1 +ATOM 3090 C CD2 LEU 39 . . F 3 28.502 46.573 20.236 1.00 24.87 ? CD2 LEU 39 B 1 +ATOM 3091 N N TYR 40 . . F 3 32.296 44.277 19.021 1.00 13.99 ? N TYR 40 B 1 +ATOM 3092 C CA TYR 40 . . F 3 33.615 44.346 19.666 1.00 12.21 ? CA TYR 40 B 1 +ATOM 3093 C C TYR 40 . . F 3 33.865 45.747 20.132 1.00 18.07 ? C TYR 40 B 1 +ATOM 3094 O O TYR 40 . . F 3 33.082 46.648 19.864 1.00 23.15 ? O TYR 40 B 1 +ATOM 3095 C CB TYR 40 . . F 3 34.808 44.036 18.761 1.00 12.84 ? CB TYR 40 B 1 +ATOM 3096 C CG TYR 40 . . F 3 34.866 42.655 18.160 1.00 25.14 ? CG TYR 40 B 1 +ATOM 3097 C CD1 TYR 40 . . F 3 33.798 42.141 17.429 1.00 23.5 ? CD1 TYR 40 B 1 +ATOM 3098 C CD2 TYR 40 . . F 3 36.007 41.873 18.281 1.00 21.33 ? CD2 TYR 40 B 1 +ATOM 3099 C CE1 TYR 40 . . F 3 33.876 40.888 16.835 1.00 27.68 ? CE1 TYR 40 B 1 +ATOM 3100 C CE2 TYR 40 . . F 3 36.095 40.638 17.696 1.00 17.24 ? CE2 TYR 40 B 1 +ATOM 3101 C CZ TYR 40 . . F 3 35.035 40.148 16.974 1.00 25.99 ? CZ TYR 40 B 1 +ATOM 3102 O OH TYR 40 . . F 3 35.131 38.920 16.360 1.00 37.56 ? OH TYR 40 B 1 +ATOM 3103 N N TYR 41 . . F 3 34.989 45.912 20.810 1.00 17.64 ? N TYR 41 B 1 +ATOM 3104 C CA TYR 41 . . F 3 35.390 47.188 21.323 1.00 18.09 ? CA TYR 41 B 1 +ATOM 3105 C C TYR 41 . . F 3 36.905 47.137 21.464 1.00 19.55 ? C TYR 41 B 1 +ATOM 3106 O O TYR 41 . . F 3 37.493 46.182 21.980 1.00 20.17 ? O TYR 41 B 1 +ATOM 3107 C CB TYR 41 . . F 3 34.744 47.478 22.709 1.00 16.69 ? CB TYR 41 B 1 +ATOM 3108 C CG TYR 41 . . F 3 34.989 48.923 23.223 1.00 21.47 ? CG TYR 41 B 1 +ATOM 3109 C CD1 TYR 41 . . F 3 36.216 49.298 23.795 1.00 24.01 ? CD1 TYR 41 B 1 +ATOM 3110 C CD2 TYR 41 . . F 3 34.019 49.924 23.067 1.00 24.72 ? CD2 TYR 41 B 1 +ATOM 3111 C CE1 TYR 41 . . F 3 36.472 50.630 24.190 1.00 28.2 ? CE1 TYR 41 B 1 +ATOM 3112 C CE2 TYR 41 . . F 3 34.257 51.251 23.454 1.00 18.88 ? CE2 TYR 41 B 1 +ATOM 3113 C CZ TYR 41 . . F 3 35.489 51.603 24.008 1.00 26.14 ? CZ TYR 41 B 1 +ATOM 3114 O OH TYR 41 . . F 3 35.754 52.921 24.322 1.00 18.15 ? OH TYR 41 B 1 +ATOM 3115 N N ILE 42 . . F 3 37.535 48.178 20.951 1.00 24.33 ? N ILE 42 B 1 +ATOM 3116 C CA ILE 42 . . F 3 38.950 48.292 21.024 1.00 15.99 ? CA ILE 42 B 1 +ATOM 3117 C C ILE 42 . . F 3 39.316 48.925 22.347 1.00 24.16 ? C ILE 42 B 1 +ATOM 3118 O O ILE 42 . . F 3 39.129 50.143 22.565 1.00 13.38 ? O ILE 42 B 1 +ATOM 3119 C CB ILE 42 . . F 3 39.462 49.144 19.929 1.00 6 ? CB ILE 42 B 1 +ATOM 3120 C CG1 ILE 42 . . F 3 39.118 48.519 18.601 1.00 8.63 ? CG1 ILE 42 B 1 +ATOM 3121 C CG2 ILE 42 . . F 3 40.947 49.253 20.044 1.00 9.34 ? CG2 ILE 42 B 1 +ATOM 3122 C CD1 ILE 42 . . F 3 39.994 49.009 17.549 1.00 6 ? CD1 ILE 42 B 1 +ATOM 3123 N N VAL 43 . . F 3 39.803 48.083 23.245 1.00 23.12 ? N VAL 43 B 1 +ATOM 3124 C CA VAL 43 . . F 3 40.201 48.557 24.536 1.00 24.99 ? CA VAL 43 B 1 +ATOM 3125 C C VAL 43 . . F 3 41.634 49.036 24.471 1.00 26.85 ? C VAL 43 B 1 +ATOM 3126 O O VAL 43 . . F 3 42.006 49.966 25.172 1.00 28.87 ? O VAL 43 B 1 +ATOM 3127 C CB VAL 43 . . F 3 40.041 47.448 25.551 1.00 27.06 ? CB VAL 43 B 1 +ATOM 3128 C CG1 VAL 43 . . F 3 40.319 47.980 26.911 1.00 38.37 ? CG1 VAL 43 B 1 +ATOM 3129 C CG2 VAL 43 . . F 3 38.607 46.937 25.538 1.00 32.14 ? CG2 VAL 43 B 1 +ATOM 3130 N N LYS 44 . . F 3 42.458 48.413 23.640 1.00 22.08 ? N LYS 44 B 1 +ATOM 3131 C CA LYS 44 . . F 3 43.837 48.902 23.472 1.00 21.38 ? CA LYS 44 B 1 +ATOM 3132 C C LYS 44 . . F 3 44.265 48.727 22.008 1.00 27.33 ? C LYS 44 B 1 +ATOM 3133 O O LYS 44 . . F 3 43.808 47.789 21.329 1.00 23.27 ? O LYS 44 B 1 +ATOM 3134 C CB LYS 44 . . F 3 44.825 48.125 24.338 1.00 25.14 ? CB LYS 44 B 1 +ATOM 3135 C CG LYS 44 . . F 3 46.302 48.428 23.980 1.00 26.68 ? CG LYS 44 B 1 +ATOM 3136 C CD LYS 44 . . F 3 47.344 47.413 24.540 1.00 38.05 ? CD LYS 44 B 1 +ATOM 3137 C CE LYS 44 . . F 3 48.782 47.559 23.908 1.00 28.9 ? CE LYS 44 B 1 +ATOM 3138 N NZ LYS 44 . . F 3 48.791 47.436 22.399 1.00 32.56 ? NZ LYS 44 B 1 +ATOM 3139 N N GLY 45 . . F 3 45.093 49.643 21.511 1.00 27.69 ? N GLY 45 B 1 +ATOM 3140 C CA GLY 45 . . F 3 45.607 49.486 20.163 1.00 28.58 ? CA GLY 45 B 1 +ATOM 3141 C C GLY 45 . . F 3 44.734 49.986 19.007 1.00 31.4 ? C GLY 45 B 1 +ATOM 3142 O O GLY 45 . . F 3 43.730 50.707 19.200 1.00 26.3 ? O GLY 45 B 1 +ATOM 3143 N N SER 46 . . F 3 45.123 49.522 17.808 1.00 25.84 ? N SER 46 B 1 +ATOM 3144 C CA SER 46 . . F 3 44.548 49.916 16.525 1.00 23.41 ? CA SER 46 B 1 +ATOM 3145 C C SER 46 . . F 3 44.401 48.786 15.488 1.00 23.3 ? C SER 46 B 1 +ATOM 3146 O O SER 46 . . F 3 45.203 47.852 15.370 1.00 15.38 ? O SER 46 B 1 +ATOM 3147 C CB SER 46 . . F 3 45.411 50.998 15.954 1.00 25.29 ? CB SER 46 B 1 +ATOM 3148 O OG SER 46 . . F 3 46.747 50.559 16.103 1.00 30.58 ? OG SER 46 B 1 +ATOM 3149 N N VAL 47 . . F 3 43.436 48.972 14.617 1.00 23.91 ? N VAL 47 B 1 +ATOM 3150 C CA VAL 47 . . F 3 43.111 47.928 13.707 1.00 18.4 ? CA VAL 47 B 1 +ATOM 3151 C C VAL 47 . . F 3 42.934 48.530 12.282 1.00 21.5 ? C VAL 47 B 1 +ATOM 3152 O O VAL 47 . . F 3 42.908 49.768 12.099 1.00 12.27 ? O VAL 47 B 1 +ATOM 3153 C CB VAL 47 . . F 3 41.877 47.332 14.356 1.00 12.57 ? CB VAL 47 B 1 +ATOM 3154 C CG1 VAL 47 . . F 3 40.662 48.133 13.908 1.00 6 ? CG1 VAL 47 B 1 +ATOM 3155 C CG2 VAL 47 . . F 3 41.812 45.873 14.090 1.00 11.73 ? CG2 VAL 47 B 1 +ATOM 3156 N N ALA 48 . . F 3 42.815 47.689 11.254 1.00 19.58 ? N ALA 48 B 1 +ATOM 3157 C CA ALA 48 . . F 3 42.620 48.224 9.889 1.00 18.16 ? CA ALA 48 B 1 +ATOM 3158 C C ALA 48 . . F 3 41.416 47.591 9.235 1.00 12.82 ? C ALA 48 B 1 +ATOM 3159 O O ALA 48 . . F 3 41.222 46.393 9.357 1.00 18.01 ? O ALA 48 B 1 +ATOM 3160 C CB ALA 48 . . F 3 43.837 47.953 9.035 1.00 18.92 ? CB ALA 48 B 1 +ATOM 3161 N N VAL 49 . . F 3 40.584 48.406 8.594 1.00 12.15 ? N VAL 49 B 1 +ATOM 3162 C CA VAL 49 . . F 3 39.412 47.930 7.854 1.00 13.55 ? CA VAL 49 B 1 +ATOM 3163 C C VAL 49 . . F 3 39.791 48.031 6.377 1.00 11.33 ? C VAL 49 B 1 +ATOM 3164 O O VAL 49 . . F 3 40.300 49.070 5.937 1.00 13.71 ? O VAL 49 B 1 +ATOM 3165 C CB VAL 49 . . F 3 38.162 48.806 8.098 1.00 6 ? CB VAL 49 B 1 +ATOM 3166 C CG1 VAL 49 . . F 3 36.940 48.068 7.601 1.00 11.71 ? CG1 VAL 49 B 1 +ATOM 3167 C CG2 VAL 49 . . F 3 37.996 49.093 9.569 1.00 6 ? CG2 VAL 49 B 1 +ATOM 3168 N N LEU 50 . . F 3 39.586 46.948 5.636 1.00 10.77 ? N LEU 50 B 1 +ATOM 3169 C CA LEU 50 . . F 3 39.945 46.858 4.214 1.00 6.94 ? CA LEU 50 B 1 +ATOM 3170 C C LEU 50 . . F 3 39.058 45.828 3.537 1.00 11.14 ? C LEU 50 B 1 +ATOM 3171 O O LEU 50 . . F 3 38.560 44.909 4.166 1.00 9.61 ? O LEU 50 B 1 +ATOM 3172 C CB LEU 50 . . F 3 41.453 46.480 4.074 1.00 6.19 ? CB LEU 50 B 1 +ATOM 3173 C CG LEU 50 . . F 3 42.077 45.452 5.035 1.00 6.38 ? CG LEU 50 B 1 +ATOM 3174 C CD1 LEU 50 . . F 3 41.565 44.092 4.679 1.00 12.15 ? CD1 LEU 50 B 1 +ATOM 3175 C CD2 LEU 50 . . F 3 43.557 45.502 4.971 1.00 6 ? CD2 LEU 50 B 1 +ATOM 3176 N N ILE 51 . . F 3 38.791 46.027 2.256 1.00 11.74 ? N ILE 51 B 1 +ATOM 3177 C CA ILE 51 . . F 3 37.966 45.095 1.516 1.00 7.46 ? CA ILE 51 B 1 +ATOM 3178 C C ILE 51 . . F 3 38.721 44.506 0.358 1.00 12.57 ? C ILE 51 B 1 +ATOM 3179 O O ILE 51 . . F 3 39.834 44.945 0.050 1.00 11.22 ? O ILE 51 B 1 +ATOM 3180 C CB ILE 51 . . F 3 36.791 45.783 1.017 1.00 13.08 ? CB ILE 51 B 1 +ATOM 3181 C CG1 ILE 51 . . F 3 37.187 46.733 -0.105 1.00 18.13 ? CG1 ILE 51 B 1 +ATOM 3182 C CG2 ILE 51 . . F 3 36.134 46.418 2.205 1.00 6.59 ? CG2 ILE 51 B 1 +ATOM 3183 C CD1 ILE 51 . . F 3 36.053 47.630 -0.512 1.00 15.17 ? CD1 ILE 51 B 1 +ATOM 3184 N N LYS 52 . . F 3 38.078 43.546 -0.310 1.00 19.11 ? N LYS 52 B 1 +ATOM 3185 C CA LYS 52 . . F 3 38.785 42.744 -1.317 1.00 19.34 ? CA LYS 52 B 1 +ATOM 3186 C C LYS 52 . . F 3 37.980 42.220 -2.478 1.00 21.18 ? C LYS 52 B 1 +ATOM 3187 O O LYS 52 . . F 3 36.924 41.604 -2.316 1.00 21.23 ? O LYS 52 B 1 +ATOM 3188 C CB LYS 52 . . F 3 39.454 41.535 -0.634 1.00 19.36 ? CB LYS 52 B 1 +ATOM 3189 C CG LYS 52 . . F 3 40.643 41.901 0.251 1.00 25.77 ? CG LYS 52 B 1 +ATOM 3190 C CD LYS 52 . . F 3 41.416 40.680 0.788 1.00 37.87 ? CD LYS 52 B 1 +ATOM 3191 C CE LYS 52 . . F 3 42.042 39.749 -0.291 1.00 40.35 ? CE LYS 52 B 1 +ATOM 3192 N NZ LYS 52 . . F 3 41.070 38.875 -1.051 1.00 39.02 ? NZ LYS 52 B 1 +ATOM 3193 N N ASP 53 . . F 3 38.570 42.455 -3.640 1.00 26.2 ? N ASP 53 B 1 +ATOM 3194 C CA ASP 53 . . F 3 38.104 42.053 -4.959 1.00 30.19 ? CA ASP 53 B 1 +ATOM 3195 C C ASP 53 . . F 3 38.496 40.589 -5.179 1.00 30.81 ? C ASP 53 B 1 +ATOM 3196 O O ASP 53 . . F 3 39.640 40.220 -4.873 1.00 27.23 ? O ASP 53 B 1 +ATOM 3197 C CB ASP 53 . . F 3 38.762 42.942 -6.005 1.00 25.68 ? CB ASP 53 B 1 +ATOM 3198 C CG ASP 53 . . F 3 38.228 42.693 -7.384 1.00 36.79 ? CG ASP 53 B 1 +ATOM 3199 O OD1 ASP 53 . . F 3 37.026 42.975 -7.605 1.00 42.51 ? OD1 ASP 53 B 1 +ATOM 3200 O OD2 ASP 53 . . F 3 39.002 42.230 -8.249 1.00 45.65 ? OD2 ASP 53 B 1 +ATOM 3201 N N GLU 54 . . F 3 37.597 39.776 -5.756 1.00 33.39 ? N GLU 54 B 1 +ATOM 3202 C CA GLU 54 . . F 3 37.875 38.341 -5.909 1.00 27.12 ? CA GLU 54 B 1 +ATOM 3203 C C GLU 54 . . F 3 39.200 38.062 -6.520 1.00 23.49 ? C GLU 54 B 1 +ATOM 3204 O O GLU 54 . . F 3 39.760 37.039 -6.234 1.00 28.23 ? O GLU 54 B 1 +ATOM 3205 C CB GLU 54 . . F 3 36.845 37.643 -6.755 1.00 16.71 ? CB GLU 54 B 1 +ATOM 3206 C CG GLU 54 . . F 3 35.473 37.551 -6.065 1.00 29.08 ? CG GLU 54 B 1 +ATOM 3207 C CD GLU 54 . . F 3 34.559 38.772 -6.287 1.00 32.03 ? CD GLU 54 B 1 +ATOM 3208 O OE1 GLU 54 . . F 3 35.049 39.793 -6.812 1.00 41.53 ? OE1 GLU 54 B 1 +ATOM 3209 O OE2 GLU 54 . . F 3 33.345 38.709 -5.948 1.00 40.23 ? OE2 GLU 54 B 1 +ATOM 3210 N N GLU 55 . . F 3 39.717 38.944 -7.357 1.00 29.88 ? N GLU 55 B 1 +ATOM 3211 C CA GLU 55 . . F 3 41.053 38.716 -7.898 1.00 27.36 ? CA GLU 55 B 1 +ATOM 3212 C C GLU 55 . . F 3 42.194 39.327 -6.987 1.00 33.84 ? C GLU 55 B 1 +ATOM 3213 O O GLU 55 . . F 3 43.204 39.895 -7.454 1.00 34.61 ? O GLU 55 B 1 +ATOM 3214 C CB GLU 55 . . F 3 41.048 39.272 -9.365 1.00 31.87 ? CB GLU 55 B 1 +ATOM 3215 C CG GLU 55 . . F 3 40.299 38.286 -10.351 1.00 34.09 ? CG GLU 55 B 1 +ATOM 3216 C CD GLU 55 . . F 3 40.226 38.613 -11.906 1.00 22.81 ? CD GLU 55 B 1 +ATOM 3217 O OE1 GLU 55 . . F 3 39.095 38.553 -12.481 1.00 11.57 ? OE1 GLU 55 B 1 +ATOM 3218 O OE2 GLU 55 . . F 3 41.263 38.889 -12.549 1.00 20.61 ? OE2 GLU 55 B 1 +ATOM 3219 N N GLY 56 . . F 3 41.924 39.262 -5.670 1.00 34.34 ? N GLY 56 B 1 +ATOM 3220 C CA GLY 56 . . F 3 42.846 39.548 -4.563 1.00 34.74 ? CA GLY 56 B 1 +ATOM 3221 C C GLY 56 . . F 3 43.178 41.041 -4.316 1.00 32.65 ? C GLY 56 B 1 +ATOM 3222 O O GLY 56 . . F 3 43.756 41.264 -3.217 1.00 32.52 ? O GLY 56 B 1 +ATOM 3223 N N LYS 57 . . F 3 42.911 42.066 -5.137 1.00 26.26 ? N LYS 57 B 1 +ATOM 3224 C CA LYS 57 . . F 3 43.391 43.403 -4.706 1.00 25.49 ? CA LYS 57 B 1 +ATOM 3225 C C LYS 57 . . F 3 42.632 43.931 -3.493 1.00 27.11 ? C LYS 57 B 1 +ATOM 3226 O O LYS 57 . . F 3 41.417 43.775 -3.419 1.00 35.63 ? O LYS 57 B 1 +ATOM 3227 C CB LYS 57 . . F 3 43.238 44.455 -5.817 1.00 34.4 ? CB LYS 57 B 1 +ATOM 3228 C CG LYS 57 . . F 3 44.010 45.775 -5.492 1.00 45.06 ? CG LYS 57 B 1 +ATOM 3229 C CD LYS 57 . . F 3 43.682 46.962 -6.443 1.00 49.96 ? CD LYS 57 B 1 +ATOM 3230 C CE LYS 57 . . F 3 44.602 48.204 -6.222 1.00 50.3 ? CE LYS 57 B 1 +ATOM 3231 N NZ LYS 57 . . F 3 44.754 48.758 -4.816 1.00 53.01 ? NZ LYS 57 B 1 +ATOM 3232 N N GLU 58 . . F 3 43.325 44.588 -2.573 1.00 19.02 ? N GLU 58 B 1 +ATOM 3233 C CA GLU 58 . . F 3 42.678 45.111 -1.361 1.00 23.13 ? CA GLU 58 B 1 +ATOM 3234 C C GLU 58 . . F 3 42.848 46.653 -1.155 1.00 21.01 ? C GLU 58 B 1 +ATOM 3235 O O GLU 58 . . F 3 43.859 47.242 -1.523 1.00 27.24 ? O GLU 58 B 1 +ATOM 3236 C CB GLU 58 . . F 3 43.229 44.336 -0.119 1.00 19.43 ? CB GLU 58 B 1 +ATOM 3237 C CG GLU 58 . . F 3 44.756 44.184 -0.022 1.00 25.1 ? CG GLU 58 B 1 +ATOM 3238 C CD GLU 58 . . F 3 45.286 43.756 1.376 1.00 39.64 ? CD GLU 58 B 1 +ATOM 3239 O OE1 GLU 58 . . F 3 46.506 43.430 1.495 1.00 27.81 ? OE1 GLU 58 B 1 +ATOM 3240 O OE2 GLU 58 . . F 3 44.501 43.765 2.363 1.00 37.17 ? OE2 GLU 58 B 1 +ATOM 3241 N N MET 59 . . F 3 41.838 47.291 -0.570 1.00 17.17 ? N MET 59 B 1 +ATOM 3242 C CA MET 59 . . F 3 41.868 48.719 -0.284 1.00 22.52 ? CA MET 59 B 1 +ATOM 3243 C C MET 59 . . F 3 41.525 49.025 1.176 1.00 19.46 ? C MET 59 B 1 +ATOM 3244 O O MET 59 . . F 3 40.489 48.568 1.669 1.00 25.81 ? O MET 59 B 1 +ATOM 3245 C CB MET 59 . . F 3 40.865 49.486 -1.148 1.00 18.54 ? CB MET 59 B 1 +ATOM 3246 C CG MET 59 . . F 3 40.577 50.888 -0.552 1.00 16.58 ? CG MET 59 B 1 +ATOM 3247 S SD MET 59 . . F 3 39.765 51.973 -1.660 1.00 24.4 ? SD MET 59 B 1 +ATOM 3248 C CE MET 59 . . F 3 41.098 52.317 -2.718 1.00 12.75 ? CE MET 59 B 1 +ATOM 3249 N N ILE 60 . . F 3 42.371 49.780 1.869 1.00 7.29 ? N ILE 60 B 1 +ATOM 3250 C CA ILE 60 . . F 3 42.077 50.161 3.238 1.00 6.04 ? CA ILE 60 B 1 +ATOM 3251 C C ILE 60 . . F 3 40.940 51.210 3.259 1.00 10.95 ? C ILE 60 B 1 +ATOM 3252 O O ILE 60 . . F 3 40.985 52.216 2.551 1.00 11.67 ? O ILE 60 B 1 +ATOM 3253 C CB ILE 60 . . F 3 43.300 50.794 3.925 1.00 13.66 ? CB ILE 60 B 1 +ATOM 3254 C CG1 ILE 60 . . F 3 44.463 49.826 3.993 1.00 6 ? CG1 ILE 60 B 1 +ATOM 3255 C CG2 ILE 60 . . F 3 42.930 51.157 5.355 1.00 21.06 ? CG2 ILE 60 B 1 +ATOM 3256 C CD1 ILE 60 . . F 3 45.696 50.496 4.602 1.00 14.81 ? CD1 ILE 60 B 1 +ATOM 3257 N N LEU 61 . . F 3 39.905 50.985 4.051 1.00 17.71 ? N LEU 61 B 1 +ATOM 3258 C CA LEU 61 . . F 3 38.808 51.955 4.198 1.00 20.92 ? CA LEU 61 B 1 +ATOM 3259 C C LEU 61 . . F 3 39.023 52.858 5.400 1.00 19.76 ? C LEU 61 B 1 +ATOM 3260 O O LEU 61 . . F 3 38.563 53.996 5.423 1.00 12.83 ? O LEU 61 B 1 +ATOM 3261 C CB LEU 61 . . F 3 37.491 51.278 4.426 1.00 12.38 ? CB LEU 61 B 1 +ATOM 3262 C CG LEU 61 . . F 3 36.887 50.646 3.219 1.00 16 ? CG LEU 61 B 1 +ATOM 3263 C CD1 LEU 61 . . F 3 35.953 49.541 3.630 1.00 14.17 ? CD1 LEU 61 B 1 +ATOM 3264 C CD2 LEU 61 . . F 3 36.229 51.734 2.433 1.00 16.33 ? CD2 LEU 61 B 1 +ATOM 3265 N N SER 62 . . F 3 39.683 52.334 6.423 1.00 20.82 ? N SER 62 B 1 +ATOM 3266 C CA SER 62 . . F 3 39.967 53.177 7.551 1.00 15.96 ? CA SER 62 B 1 +ATOM 3267 C C SER 62 . . F 3 40.767 52.466 8.610 1.00 15.64 ? C SER 62 B 1 +ATOM 3268 O O SER 62 . . F 3 40.827 51.255 8.707 1.00 21.79 ? O SER 62 B 1 +ATOM 3269 C CB SER 62 . . F 3 38.640 53.662 8.133 1.00 13.8 ? CB SER 62 B 1 +ATOM 3270 O OG SER 62 . . F 3 38.821 54.279 9.372 1.00 19.6 ? OG SER 62 B 1 +ATOM 3271 N N TYR 63 . . F 3 41.300 53.259 9.484 1.00 18.85 ? N TYR 63 B 1 +ATOM 3272 C CA TYR 63 . . F 3 42.024 52.806 10.627 1.00 12.36 ? CA TYR 63 B 1 +ATOM 3273 C C TYR 63 . . F 3 41.054 53.069 11.788 1.00 16.68 ? C TYR 63 B 1 +ATOM 3274 O O TYR 63 . . F 3 40.289 54.038 11.792 1.00 9.24 ? O TYR 63 B 1 +ATOM 3275 C CB TYR 63 . . F 3 43.306 53.621 10.773 1.00 15.22 ? CB TYR 63 B 1 +ATOM 3276 C CG TYR 63 . . F 3 44.355 53.374 9.706 1.00 13.93 ? CG TYR 63 B 1 +ATOM 3277 C CD1 TYR 63 . . F 3 44.484 52.121 9.111 1.00 15.08 ? CD1 TYR 63 B 1 +ATOM 3278 C CD2 TYR 63 . . F 3 45.236 54.372 9.312 1.00 7.17 ? CD2 TYR 63 B 1 +ATOM 3279 C CE1 TYR 63 . . F 3 45.481 51.858 8.141 1.00 13.67 ? CE1 TYR 63 B 1 +ATOM 3280 C CE2 TYR 63 . . F 3 46.240 54.119 8.340 1.00 17.99 ? CE2 TYR 63 B 1 +ATOM 3281 C CZ TYR 63 . . F 3 46.348 52.845 7.765 1.00 13.74 ? CZ TYR 63 B 1 +ATOM 3282 O OH TYR 63 . . F 3 47.312 52.533 6.845 1.00 15.67 ? OH TYR 63 B 1 +ATOM 3283 N N LEU 64 . . F 3 41.028 52.163 12.742 1.00 13.42 ? N LEU 64 B 1 +ATOM 3284 C CA LEU 64 . . F 3 40.173 52.321 13.871 1.00 6 ? CA LEU 64 B 1 +ATOM 3285 C C LEU 64 . . F 3 41.118 52.302 15.015 1.00 10.53 ? C LEU 64 B 1 +ATOM 3286 O O LEU 64 . . F 3 42.287 51.868 14.834 1.00 6 ? O LEU 64 B 1 +ATOM 3287 C CB LEU 64 . . F 3 39.209 51.173 13.889 1.00 6 ? CB LEU 64 B 1 +ATOM 3288 C CG LEU 64 . . F 3 37.769 51.605 13.688 1.00 9.4 ? CG LEU 64 B 1 +ATOM 3289 C CD1 LEU 64 . . F 3 37.715 52.775 12.673 1.00 8.66 ? CD1 LEU 64 B 1 +ATOM 3290 C CD2 LEU 64 . . F 3 36.961 50.387 13.297 1.00 11.27 ? CD2 LEU 64 B 1 +ATOM 3291 N N ASN 65 . . F 3 40.662 52.750 16.179 1.00 11.14 ? N ASN 65 B 1 +ATOM 3292 C CA ASN 65 . . F 3 41.557 52.792 17.334 1.00 12.99 ? CA ASN 65 B 1 +ATOM 3293 C C ASN 65 . . F 3 40.805 52.551 18.649 1.00 19.41 ? C ASN 65 B 1 +ATOM 3294 O O ASN 65 . . F 3 39.608 52.241 18.679 1.00 21.12 ? O ASN 65 B 1 +ATOM 3295 C CB ASN 65 . . F 3 42.266 54.163 17.454 1.00 18.04 ? CB ASN 65 B 1 +ATOM 3296 C CG ASN 65 . . F 3 43.116 54.564 16.218 1.00 14.22 ? CG ASN 65 B 1 +ATOM 3297 O OD1 ASN 65 . . F 3 43.085 55.713 15.797 1.00 23.86 ? OD1 ASN 65 B 1 +ATOM 3298 N ND2 ASN 65 . . F 3 43.876 53.642 15.667 1.00 26.92 ? ND2 ASN 65 B 1 +ATOM 3299 N N GLN 66 . . F 3 41.547 52.687 19.738 1.00 19.41 ? N GLN 66 B 1 +ATOM 3300 C CA GLN 66 . . F 3 41.035 52.575 21.099 1.00 15.88 ? CA GLN 66 B 1 +ATOM 3301 C C GLN 66 . . F 3 39.910 53.540 21.254 1.00 14.7 ? C GLN 66 B 1 +ATOM 3302 O O GLN 66 . . F 3 40.063 54.732 20.977 1.00 18.83 ? O GLN 66 B 1 +ATOM 3303 C CB GLN 66 . . F 3 42.127 52.923 22.105 1.00 29.78 ? CB GLN 66 B 1 +ATOM 3304 C CG GLN 66 . . F 3 41.669 53.195 23.527 1.00 40.62 ? CG GLN 66 B 1 +ATOM 3305 C CD GLN 66 . . F 3 42.748 53.916 24.339 1.00 43.47 ? CD GLN 66 B 1 +ATOM 3306 O OE1 GLN 66 . . F 3 42.450 54.856 25.083 1.00 42.58 ? OE1 GLN 66 B 1 +ATOM 3307 N NE2 GLN 66 . . F 3 44.004 53.494 24.185 1.00 42.99 ? NE2 GLN 66 B 1 +ATOM 3308 N N GLY 67 . . F 3 38.780 52.993 21.660 1.00 11.02 ? N GLY 67 B 1 +ATOM 3309 C CA GLY 67 . . F 3 37.603 53.792 21.904 1.00 14.29 ? CA GLY 67 B 1 +ATOM 3310 C C GLY 67 . . F 3 36.479 53.484 20.960 1.00 14.28 ? C GLY 67 B 1 +ATOM 3311 O O GLY 67 . . F 3 35.299 53.633 21.313 1.00 10.03 ? O GLY 67 B 1 +ATOM 3312 N N ASP 68 . . F 3 36.848 53.059 19.756 1.00 21.48 ? N ASP 68 B 1 +ATOM 3313 C CA ASP 68 . . F 3 35.883 52.767 18.697 1.00 19.79 ? CA ASP 68 B 1 +ATOM 3314 C C ASP 68 . . F 3 35.264 51.395 18.795 1.00 16.57 ? C ASP 68 B 1 +ATOM 3315 O O ASP 68 . . F 3 35.892 50.481 19.265 1.00 21.37 ? O ASP 68 B 1 +ATOM 3316 C CB ASP 68 . . F 3 36.560 52.898 17.338 1.00 21.73 ? CB ASP 68 B 1 +ATOM 3317 C CG ASP 68 . . F 3 37.179 54.271 17.116 1.00 15.95 ? CG ASP 68 B 1 +ATOM 3318 O OD1 ASP 68 . . F 3 36.657 55.276 17.697 1.00 16.67 ? OD1 ASP 68 B 1 +ATOM 3319 O OD2 ASP 68 . . F 3 38.194 54.313 16.370 1.00 8.64 ? OD2 ASP 68 B 1 +ATOM 3320 N N PHE 69 . . F 3 34.006 51.279 18.392 1.00 18.99 ? N PHE 69 B 1 +ATOM 3321 C CA PHE 69 . . F 3 33.328 50.003 18.322 1.00 17.82 ? CA PHE 69 B 1 +ATOM 3322 C C PHE 69 . . F 3 33.670 49.310 17.016 1.00 14.78 ? C PHE 69 B 1 +ATOM 3323 O O PHE 69 . . F 3 34.076 49.972 16.079 1.00 19.91 ? O PHE 69 B 1 +ATOM 3324 C CB PHE 69 . . F 3 31.865 50.189 18.359 1.00 21.54 ? CB PHE 69 B 1 +ATOM 3325 C CG PHE 69 . . F 3 31.352 50.638 19.671 1.00 29.64 ? CG PHE 69 B 1 +ATOM 3326 C CD1 PHE 69 . . F 3 31.032 49.705 20.649 1.00 24.31 ? CD1 PHE 69 B 1 +ATOM 3327 C CD2 PHE 69 . . F 3 31.111 51.981 19.910 1.00 26.55 ? CD2 PHE 69 B 1 +ATOM 3328 C CE1 PHE 69 . . F 3 30.476 50.105 21.827 1.00 24.04 ? CE1 PHE 69 B 1 +ATOM 3329 C CE2 PHE 69 . . F 3 30.554 52.381 21.087 1.00 22.61 ? CE2 PHE 69 B 1 +ATOM 3330 C CZ PHE 69 . . F 3 30.237 51.439 22.042 1.00 27.87 ? CZ PHE 69 B 1 +ATOM 3331 N N ILE 70 . . F 3 33.499 47.992 16.947 1.00 19.16 ? N ILE 70 B 1 +ATOM 3332 C CA ILE 70 . . F 3 33.810 47.256 15.708 1.00 22.22 ? CA ILE 70 B 1 +ATOM 3333 C C ILE 70 . . F 3 32.724 46.253 15.325 1.00 17.94 ? C ILE 70 B 1 +ATOM 3334 O O ILE 70 . . F 3 32.239 45.547 16.160 1.00 18.74 ? O ILE 70 B 1 +ATOM 3335 C CB ILE 70 . . F 3 35.102 46.405 15.792 1.00 19.54 ? CB ILE 70 B 1 +ATOM 3336 C CG1 ILE 70 . . F 3 36.309 47.236 16.163 1.00 21.44 ? CG1 ILE 70 B 1 +ATOM 3337 C CG2 ILE 70 . . F 3 35.435 45.881 14.435 1.00 22.71 ? CG2 ILE 70 B 1 +ATOM 3338 C CD1 ILE 70 . . F 3 37.578 46.374 16.210 1.00 17.03 ? CD1 ILE 70 B 1 +ATOM 3339 N N GLY 71 . . F 3 32.335 46.173 14.069 1.00 15.7 ? N GLY 71 B 1 +ATOM 3340 C CA GLY 71 . . F 3 31.372 45.153 13.719 1.00 12.9 ? CA GLY 71 B 1 +ATOM 3341 C C GLY 71 . . F 3 29.995 45.481 14.195 1.00 15.55 ? C GLY 71 B 1 +ATOM 3342 O O GLY 71 . . F 3 29.247 44.609 14.638 1.00 9.66 ? O GLY 71 B 1 +ATOM 3343 N N GLU 72 . . F 3 29.643 46.753 14.061 1.00 13.06 ? N GLU 72 B 1 +ATOM 3344 C CA GLU 72 . . F 3 28.350 47.204 14.506 1.00 9.98 ? CA GLU 72 B 1 +ATOM 3345 C C GLU 72 . . F 3 27.288 47.121 13.467 1.00 6.3 ? C GLU 72 B 1 +ATOM 3346 O O GLU 72 . . F 3 26.118 47.115 13.811 1.00 16.7 ? O GLU 72 B 1 +ATOM 3347 C CB GLU 72 . . F 3 28.465 48.640 15.004 1.00 6.29 ? CB GLU 72 B 1 +ATOM 3348 C CG GLU 72 . . F 3 29.806 49.291 14.717 1.00 6 ? CG GLU 72 B 1 +ATOM 3349 C CD GLU 72 . . F 3 29.892 49.878 13.370 1.00 6 ? CD GLU 72 B 1 +ATOM 3350 O OE1 GLU 72 . . F 3 30.948 49.814 12.732 1.00 6.8 ? OE1 GLU 72 B 1 +ATOM 3351 O OE2 GLU 72 . . F 3 28.878 50.440 12.944 1.00 14.92 ? OE2 GLU 72 B 1 +ATOM 3352 N N LEU 73 . . F 3 27.671 47.043 12.199 1.00 8.8 ? N LEU 73 B 1 +ATOM 3353 C CA LEU 73 . . F 3 26.651 47.057 11.138 1.00 16.62 ? CA LEU 73 B 1 +ATOM 3354 C C LEU 73 . . F 3 25.834 45.782 11.069 1.00 17.15 ? C LEU 73 B 1 +ATOM 3355 O O LEU 73 . . F 3 24.689 45.783 10.573 1.00 25.19 ? O LEU 73 B 1 +ATOM 3356 C CB LEU 73 . . F 3 27.292 47.302 9.757 1.00 14.65 ? CB LEU 73 B 1 +ATOM 3357 C CG LEU 73 . . F 3 28.151 48.538 9.421 1.00 7.34 ? CG LEU 73 B 1 +ATOM 3358 C CD1 LEU 73 . . F 3 27.485 49.810 9.909 1.00 6 ? CD1 LEU 73 B 1 +ATOM 3359 C CD2 LEU 73 . . F 3 29.473 48.393 10.076 1.00 13.59 ? CD2 LEU 73 B 1 +ATOM 3360 N N GLY 74 . . F 3 26.418 44.701 11.577 1.00 16.35 ? N GLY 74 B 1 +ATOM 3361 C CA GLY 74 . . F 3 25.738 43.418 11.601 1.00 10.26 ? CA GLY 74 B 1 +ATOM 3362 C C GLY 74 . . F 3 24.648 43.451 12.624 1.00 11.49 ? C GLY 74 B 1 +ATOM 3363 O O GLY 74 . . F 3 23.621 42.826 12.444 1.00 17.33 ? O GLY 74 B 1 +ATOM 3364 N N LEU 75 . . F 3 24.875 44.229 13.674 1.00 14.11 ? N LEU 75 B 1 +ATOM 3365 C CA LEU 75 . . F 3 23.956 44.353 14.793 1.00 17.74 ? CA LEU 75 B 1 +ATOM 3366 C C LEU 75 . . F 3 22.532 44.743 14.481 1.00 17.87 ? C LEU 75 B 1 +ATOM 3367 O O LEU 75 . . F 3 21.652 44.306 15.211 1.00 16.33 ? O LEU 75 B 1 +ATOM 3368 C CB LEU 75 . . F 3 24.467 45.374 15.804 1.00 21.9 ? CB LEU 75 B 1 +ATOM 3369 C CG LEU 75 . . F 3 23.364 45.873 16.760 1.00 27.58 ? CG LEU 75 B 1 +ATOM 3370 C CD1 LEU 75 . . F 3 23.023 44.804 17.822 1.00 30.23 ? CD1 LEU 75 B 1 +ATOM 3371 C CD2 LEU 75 . . F 3 23.851 47.115 17.446 1.00 24.21 ? CD2 LEU 75 B 1 +ATOM 3372 N N PHE 76 . . F 3 22.272 45.521 13.427 1.00 23.44 ? N PHE 76 B 1 +ATOM 3373 C CA PHE 76 . . F 3 20.908 46.065 13.230 1.00 26.31 ? CA PHE 76 B 1 +ATOM 3374 C C PHE 76 . . F 3 19.887 45.271 12.385 1.00 29.24 ? C PHE 76 B 1 +ATOM 3375 O O PHE 76 . . F 3 18.776 45.758 12.248 1.00 20.81 ? O PHE 76 B 1 +ATOM 3376 C CB PHE 76 . . F 3 21.059 47.504 12.686 1.00 18.51 ? CB PHE 76 B 1 +ATOM 3377 C CG PHE 76 . . F 3 21.648 48.459 13.718 1.00 14.62 ? CG PHE 76 B 1 +ATOM 3378 C CD1 PHE 76 . . F 3 20.827 49.156 14.593 1.00 20.69 ? CD1 PHE 76 B 1 +ATOM 3379 C CD2 PHE 76 . . F 3 23.022 48.612 13.871 1.00 17.96 ? CD2 PHE 76 B 1 +ATOM 3380 C CE1 PHE 76 . . F 3 21.347 49.977 15.599 1.00 9.37 ? CE1 PHE 76 B 1 +ATOM 3381 C CE2 PHE 76 . . F 3 23.531 49.425 14.871 1.00 16.67 ? CE2 PHE 76 B 1 +ATOM 3382 C CZ PHE 76 . . F 3 22.685 50.103 15.732 1.00 15.64 ? CZ PHE 76 B 1 +ATOM 3383 N N GLU 77 . . F 3 20.173 44.074 11.868 1.00 36.81 ? N GLU 77 B 1 +ATOM 3384 C CA GLU 77 . . F 3 19.156 43.307 11.109 1.00 39.12 ? CA GLU 77 B 1 +ATOM 3385 C C GLU 77 . . F 3 19.249 41.774 11.235 1.00 44.95 ? C GLU 77 B 1 +ATOM 3386 O O GLU 77 . . F 3 18.221 41.088 11.202 1.00 45.76 ? O GLU 77 B 1 +ATOM 3387 C CB GLU 77 . . F 3 19.208 43.612 9.612 1.00 48.64 ? CB GLU 77 B 1 +ATOM 3388 C CG GLU 77 . . F 3 18.552 44.908 9.138 1.00 52.08 ? CG GLU 77 B 1 +ATOM 3389 C CD GLU 77 . . F 3 18.171 44.831 7.671 1.00 54.09 ? CD GLU 77 B 1 +ATOM 3390 O OE1 GLU 77 . . F 3 18.175 43.704 7.134 1.00 51.05 ? OE1 GLU 77 B 1 +ATOM 3391 O OE2 GLU 77 . . F 3 17.857 45.877 7.054 1.00 55 ? OE2 GLU 77 B 1 +ATOM 3392 N N GLU 78 . . F 3 20.466 41.241 11.354 1.00 50.83 ? N GLU 78 B 1 +ATOM 3393 C CA GLU 78 . . F 3 20.731 39.790 11.461 1.00 52.94 ? CA GLU 78 B 1 +ATOM 3394 C C GLU 78 . . F 3 20.285 38.940 10.262 1.00 51.17 ? C GLU 78 B 1 +ATOM 3395 O O GLU 78 . . F 3 19.262 39.167 9.591 1.00 50.16 ? O GLU 78 B 1 +ATOM 3396 C CB GLU 78 . . F 3 20.077 39.189 12.722 1.00 54.64 ? CB GLU 78 B 1 +ATOM 3397 C CG GLU 78 . . F 3 21.044 39.015 13.916 1.00 55 ? CG GLU 78 B 1 +ATOM 3398 C CD GLU 78 . . F 3 22.232 38.065 13.635 1.00 55 ? CD GLU 78 B 1 +ATOM 3399 O OE1 GLU 78 . . F 3 22.070 36.827 13.770 1.00 55 ? OE1 GLU 78 B 1 +ATOM 3400 O OE2 GLU 78 . . F 3 23.330 38.561 13.283 1.00 55 ? OE2 GLU 78 B 1 +ATOM 3401 N N GLY 79 . . F 3 21.100 37.907 10.074 1.00 45.38 ? N GLY 79 B 1 +ATOM 3402 C CA GLY 79 . . F 3 20.997 36.985 8.969 1.00 40.99 ? CA GLY 79 B 1 +ATOM 3403 C C GLY 79 . . F 3 22.317 37.202 8.265 1.00 42.94 ? C GLY 79 B 1 +ATOM 3404 O O GLY 79 . . F 3 23.042 36.249 7.951 1.00 49.32 ? O GLY 79 B 1 +ATOM 3405 N N GLN 80 . . F 3 22.630 38.501 8.117 1.00 37.62 ? N GLN 80 B 1 +ATOM 3406 C CA GLN 80 . . F 3 23.809 39.075 7.439 1.00 31.92 ? CA GLN 80 B 1 +ATOM 3407 C C GLN 80 . . F 3 25.230 38.745 7.967 1.00 30.12 ? C GLN 80 B 1 +ATOM 3408 O O GLN 80 . . F 3 25.429 38.091 9.007 1.00 32.62 ? O GLN 80 B 1 +ATOM 3409 C CB GLN 80 . . F 3 23.641 40.608 7.392 1.00 33.45 ? CB GLN 80 B 1 +ATOM 3410 C CG GLN 80 . . F 3 23.357 41.336 8.725 1.00 31.32 ? CG GLN 80 B 1 +ATOM 3411 C CD GLN 80 . . F 3 23.089 42.804 8.480 1.00 29.75 ? CD GLN 80 B 1 +ATOM 3412 O OE1 GLN 80 . . F 3 23.831 43.469 7.764 1.00 35.74 ? OE1 GLN 80 B 1 +ATOM 3413 N NE2 GLN 80 . . F 3 22.016 43.312 9.052 1.00 27.54 ? NE2 GLN 80 B 1 +ATOM 3414 N N GLU 81 . . F 3 26.213 39.250 7.217 1.00 24 ? N GLU 81 B 1 +ATOM 3415 C CA GLU 81 . . F 3 27.633 39.014 7.458 1.00 22.61 ? CA GLU 81 B 1 +ATOM 3416 C C GLU 81 . . F 3 28.568 40.252 7.533 1.00 21.19 ? C GLU 81 B 1 +ATOM 3417 O O GLU 81 . . F 3 28.246 41.355 7.136 1.00 27.65 ? O GLU 81 B 1 +ATOM 3418 C CB GLU 81 . . F 3 28.112 38.029 6.369 1.00 32.49 ? CB GLU 81 B 1 +ATOM 3419 C CG GLU 81 . . F 3 27.521 38.217 4.937 1.00 43.6 ? CG GLU 81 B 1 +ATOM 3420 C CD GLU 81 . . F 3 27.644 36.960 4.024 1.00 49.63 ? CD GLU 81 B 1 +ATOM 3421 O OE1 GLU 81 . . F 3 28.283 37.044 2.934 1.00 51.23 ? OE1 GLU 81 B 1 +ATOM 3422 O OE2 GLU 81 . . F 3 27.082 35.893 4.402 1.00 45.25 ? OE2 GLU 81 B 1 +ATOM 3423 N N ARG 82 . . F 3 29.741 40.036 8.098 1.00 18.77 ? N ARG 82 B 1 +ATOM 3424 C CA ARG 82 . . F 3 30.745 41.051 8.269 1.00 20.6 ? CA ARG 82 B 1 +ATOM 3425 C C ARG 82 . . F 3 30.862 41.707 6.932 1.00 20.92 ? C ARG 82 B 1 +ATOM 3426 O O ARG 82 . . F 3 31.053 41.004 5.944 1.00 27.79 ? O ARG 82 B 1 +ATOM 3427 C CB ARG 82 . . F 3 32.057 40.406 8.637 1.00 16.57 ? CB ARG 82 B 1 +ATOM 3428 C CG ARG 82 . . F 3 31.906 39.311 9.680 1.00 23.83 ? CG ARG 82 B 1 +ATOM 3429 C CD ARG 82 . . F 3 31.890 39.738 11.121 1.00 22.31 ? CD ARG 82 B 1 +ATOM 3430 N NE ARG 82 . . F 3 30.875 40.691 11.544 1.00 17.44 ? NE ARG 82 B 1 +ATOM 3431 C CZ ARG 82 . . F 3 30.657 40.952 12.833 1.00 21.56 ? CZ ARG 82 B 1 +ATOM 3432 N NH1 ARG 82 . . F 3 31.364 40.336 13.788 1.00 21.77 ? NH1 ARG 82 B 1 +ATOM 3433 N NH2 ARG 82 . . F 3 29.746 41.829 13.185 1.00 9.9 ? NH2 ARG 82 B 1 +ATOM 3434 N N SER 83 . . F 3 30.751 43.033 6.900 1.00 29.02 ? N SER 83 B 1 +ATOM 3435 C CA SER 83 . . F 3 30.806 43.834 5.654 1.00 19.08 ? CA SER 83 B 1 +ATOM 3436 C C SER 83 . . F 3 32.229 44.037 5.112 1.00 12.88 ? C SER 83 B 1 +ATOM 3437 O O SER 83 . . F 3 32.389 44.177 3.899 1.00 6 ? O SER 83 B 1 +ATOM 3438 C CB SER 83 . . F 3 30.191 45.242 5.871 1.00 6 ? CB SER 83 B 1 +ATOM 3439 O OG SER 83 . . F 3 31.173 46.099 6.454 1.00 6.95 ? OG SER 83 B 1 +ATOM 3440 N N ALA 84 . . F 3 33.231 44.059 6.001 1.00 6.77 ? N ALA 84 B 1 +ATOM 3441 C CA ALA 84 . . F 3 34.635 44.348 5.639 1.00 6 ? CA ALA 84 B 1 +ATOM 3442 C C ALA 84 . . F 3 35.613 43.398 6.270 1.00 6 ? C ALA 84 B 1 +ATOM 3443 O O ALA 84 . . F 3 35.260 42.407 6.800 1.00 7.62 ? O ALA 84 B 1 +ATOM 3444 C CB ALA 84 . . F 3 34.998 45.770 6.074 1.00 7.89 ? CB ALA 84 B 1 +ATOM 3445 N N TRP 85 . . F 3 36.876 43.705 6.195 1.00 6 ? N TRP 85 B 1 +ATOM 3446 C CA TRP 85 . . F 3 37.862 42.896 6.861 1.00 6 ? CA TRP 85 B 1 +ATOM 3447 C C TRP 85 . . F 3 38.463 43.731 8.020 1.00 10.46 ? C TRP 85 B 1 +ATOM 3448 O O TRP 85 . . F 3 38.644 44.935 7.870 1.00 23.59 ? O TRP 85 B 1 +ATOM 3449 C CB TRP 85 . . F 3 38.928 42.554 5.895 1.00 7.07 ? CB TRP 85 B 1 +ATOM 3450 C CG TRP 85 . . F 3 39.386 41.157 5.945 1.00 24.14 ? CG TRP 85 B 1 +ATOM 3451 C CD1 TRP 85 . . F 3 40.187 40.593 6.875 1.00 32.33 ? CD1 TRP 85 B 1 +ATOM 3452 C CD2 TRP 85 . . F 3 39.087 40.142 4.986 1.00 29.73 ? CD2 TRP 85 B 1 +ATOM 3453 N NE1 TRP 85 . . F 3 40.418 39.269 6.565 1.00 33.73 ? NE1 TRP 85 B 1 +ATOM 3454 C CE2 TRP 85 . . F 3 39.747 38.963 5.412 1.00 37.12 ? CE2 TRP 85 B 1 +ATOM 3455 C CE3 TRP 85 . . F 3 38.320 40.114 3.814 1.00 24.54 ? CE3 TRP 85 B 1 +ATOM 3456 C CZ2 TRP 85 . . F 3 39.671 37.761 4.704 1.00 37.7 ? CZ2 TRP 85 B 1 +ATOM 3457 C CZ3 TRP 85 . . F 3 38.236 38.939 3.116 1.00 34.03 ? CZ3 TRP 85 B 1 +ATOM 3458 C CH2 TRP 85 . . F 3 38.914 37.769 3.561 1.00 36.54 ? CH2 TRP 85 B 1 +ATOM 3459 N N VAL 86 . . F 3 38.770 43.133 9.171 1.00 16.12 ? N VAL 86 B 1 +ATOM 3460 C CA VAL 86 . . F 3 39.413 43.898 10.244 1.00 12.63 ? CA VAL 86 B 1 +ATOM 3461 C C VAL 86 . . F 3 40.687 43.177 10.754 1.00 14.66 ? C VAL 86 B 1 +ATOM 3462 O O VAL 86 . . F 3 40.550 42.220 11.482 1.00 17.35 ? O VAL 86 B 1 +ATOM 3463 C CB VAL 86 . . F 3 38.485 44.080 11.462 1.00 7.66 ? CB VAL 86 B 1 +ATOM 3464 C CG1 VAL 86 . . F 3 39.137 45.006 12.419 1.00 6 ? CG1 VAL 86 B 1 +ATOM 3465 C CG2 VAL 86 . . F 3 37.178 44.615 11.065 1.00 6 ? CG2 VAL 86 B 1 +ATOM 3466 N N ARG 87 . . F 3 41.887 43.616 10.364 1.00 6.92 ? N ARG 87 B 1 +ATOM 3467 C CA ARG 87 . . F 3 43.162 43.049 10.788 1.00 6 ? CA ARG 87 B 1 +ATOM 3468 C C ARG 87 . . F 3 43.720 43.908 11.893 1.00 17.11 ? C ARG 87 B 1 +ATOM 3469 O O ARG 87 . . F 3 43.380 45.089 12.018 1.00 33.23 ? O ARG 87 B 1 +ATOM 3470 C CB ARG 87 . . F 3 44.243 43.046 9.714 1.00 16.01 ? CB ARG 87 B 1 +ATOM 3471 C CG ARG 87 . . F 3 43.895 42.297 8.455 1.00 37.49 ? CG ARG 87 B 1 +ATOM 3472 C CD ARG 87 . . F 3 45.080 42.197 7.480 1.00 49.03 ? CD ARG 87 B 1 +ATOM 3473 N NE ARG 87 . . F 3 44.744 41.681 6.136 1.00 55 ? NE ARG 87 B 1 +ATOM 3474 C CZ ARG 87 . . F 3 43.799 40.784 5.827 1.00 50.58 ? CZ ARG 87 B 1 +ATOM 3475 N NH1 ARG 87 . . F 3 43.028 40.251 6.777 1.00 42.5 ? NH1 ARG 87 B 1 +ATOM 3476 N NH2 ARG 87 . . F 3 43.641 40.410 4.547 1.00 43.58 ? NH2 ARG 87 B 1 +ATOM 3477 N N ALA 88 . . F 3 44.626 43.316 12.666 1.00 26.11 ? N ALA 88 B 1 +ATOM 3478 C CA ALA 88 . . F 3 45.247 43.954 13.798 1.00 20.18 ? CA ALA 88 B 1 +ATOM 3479 C C ALA 88 . . F 3 46.468 44.676 13.343 1.00 16.68 ? C ALA 88 B 1 +ATOM 3480 O O ALA 88 . . F 3 47.427 44.031 12.974 1.00 9.84 ? O ALA 88 B 1 +ATOM 3481 C CB ALA 88 . . F 3 45.604 42.906 14.804 1.00 12.5 ? CB ALA 88 B 1 +ATOM 3482 N N LYS 89 . . F 3 46.452 46.003 13.357 1.00 16.04 ? N LYS 89 B 1 +ATOM 3483 C CA LYS 89 . . F 3 47.628 46.791 12.938 1.00 17.4 ? CA LYS 89 B 1 +ATOM 3484 C C LYS 89 . . F 3 48.736 46.569 13.968 1.00 20.68 ? C LYS 89 B 1 +ATOM 3485 O O LYS 89 . . F 3 49.912 46.681 13.658 1.00 28.02 ? O LYS 89 B 1 +ATOM 3486 C CB LYS 89 . . F 3 47.282 48.291 12.880 1.00 20.11 ? CB LYS 89 B 1 +ATOM 3487 C CG LYS 89 . . F 3 47.987 49.149 11.791 1.00 21.48 ? CG LYS 89 B 1 +ATOM 3488 C CD LYS 89 . . F 3 47.782 50.655 12.018 1.00 13.64 ? CD LYS 89 B 1 +ATOM 3489 C CE LYS 89 . . F 3 46.440 50.993 12.682 1.00 21.46 ? CE LYS 89 B 1 +ATOM 3490 N NZ LYS 89 . . F 3 45.174 50.561 12.029 1.00 19.98 ? NZ LYS 89 B 1 +ATOM 3491 N N THR 90 . . F 3 48.322 46.262 15.198 1.00 29.6 ? N THR 90 B 1 +ATOM 3492 C CA THR 90 . . F 3 49.186 45.987 16.366 1.00 30.38 ? CA THR 90 B 1 +ATOM 3493 C C THR 90 . . F 3 48.403 45.244 17.506 1.00 30.23 ? C THR 90 B 1 +ATOM 3494 O O THR 90 . . F 3 47.251 44.791 17.308 1.00 28.51 ? O THR 90 B 1 +ATOM 3495 C CB THR 90 . . F 3 49.770 47.326 16.928 1.00 35.36 ? CB THR 90 B 1 +ATOM 3496 O OG1 THR 90 . . F 3 48.716 48.292 17.067 1.00 33.67 ? OG1 THR 90 B 1 +ATOM 3497 C CG2 THR 90 . . F 3 50.849 47.885 15.990 1.00 37.99 ? CG2 THR 90 B 1 +ATOM 3498 N N ALA 91 . . F 3 49.003 45.109 18.689 1.00 19.33 ? N ALA 91 B 1 +ATOM 3499 C CA ALA 91 . . F 3 48.317 44.408 19.764 1.00 12.4 ? CA ALA 91 B 1 +ATOM 3500 C C ALA 91 . . F 3 47.097 45.133 20.262 1.00 13.58 ? C ALA 91 B 1 +ATOM 3501 O O ALA 91 . . F 3 47.061 46.351 20.409 1.00 20.36 ? O ALA 91 B 1 +ATOM 3502 C CB ALA 91 . . F 3 49.257 44.185 20.909 1.00 22.11 ? CB ALA 91 B 1 +ATOM 3503 N N CYS 92 . . F 3 46.109 44.341 20.632 1.00 15.53 ? N CYS 92 B 1 +ATOM 3504 C CA CYS 92 . . F 3 44.858 44.917 21.019 1.00 17.95 ? CA CYS 92 B 1 +ATOM 3505 C C CYS 92 . . F 3 44.111 44.123 22.055 1.00 23.53 ? C CYS 92 B 1 +ATOM 3506 O O CYS 92 . . F 3 44.165 42.919 22.105 1.00 26.59 ? O CYS 92 B 1 +ATOM 3507 C CB CYS 92 . . F 3 43.913 45.049 19.806 1.00 24.64 ? CB CYS 92 B 1 +ATOM 3508 S SG CYS 92 . . F 3 44.491 45.838 18.270 1.00 30.34 ? SG CYS 92 B 1 +ATOM 3509 N N GLU 93 . . F 3 43.400 44.823 22.902 1.00 22.27 ? N GLU 93 B 1 +ATOM 3510 C CA GLU 93 . . F 3 42.520 44.157 23.799 1.00 24.3 ? CA GLU 93 B 1 +ATOM 3511 C C GLU 93 . . F 3 41.149 44.479 23.416 1.00 23.89 ? C GLU 93 B 1 +ATOM 3512 O O GLU 93 . . F 3 40.797 45.641 23.353 1.00 23.65 ? O GLU 93 B 1 +ATOM 3513 C CB GLU 93 . . F 3 42.816 44.560 25.282 1.00 35.19 ? CB GLU 93 B 1 +ATOM 3514 C CG GLU 93 . . F 3 43.674 43.553 26.126 1.00 27.78 ? CG GLU 93 B 1 +ATOM 3515 C CD GLU 93 . . F 3 44.121 44.067 27.531 1.00 39.91 ? CD GLU 93 B 1 +ATOM 3516 O OE1 GLU 93 . . F 3 45.333 44.380 27.696 1.00 33.18 ? OE1 GLU 93 B 1 +ATOM 3517 O OE2 GLU 93 . . F 3 43.273 44.161 28.461 1.00 40.19 ? OE2 GLU 93 B 1 +ATOM 3518 N N VAL 94 . . F 3 40.409 43.438 23.128 1.00 20.98 ? N VAL 94 B 1 +ATOM 3519 C CA VAL 94 . . F 3 39.140 43.615 22.515 1.00 21.41 ? CA VAL 94 B 1 +ATOM 3520 C C VAL 94 . . F 3 38.048 43.008 23.314 1.00 22.8 ? C VAL 94 B 1 +ATOM 3521 O O VAL 94 . . F 3 37.997 41.784 23.484 1.00 22.76 ? O VAL 94 B 1 +ATOM 3522 C CB VAL 94 . . F 3 39.199 42.997 21.107 1.00 15.89 ? CB VAL 94 B 1 +ATOM 3523 C CG1 VAL 94 . . F 3 37.970 43.353 20.344 1.00 18.97 ? CG1 VAL 94 B 1 +ATOM 3524 C CG2 VAL 94 . . F 3 40.448 43.490 20.400 1.00 15.61 ? CG2 VAL 94 B 1 +ATOM 3525 N N ALA 95 . . F 3 37.167 43.864 23.809 1.00 18.25 ? N ALA 95 B 1 +ATOM 3526 C CA ALA 95 . . F 3 36.067 43.364 24.597 1.00 18.99 ? CA ALA 95 B 1 +ATOM 3527 C C ALA 95 . . F 3 35.115 42.864 23.560 1.00 17.66 ? C ALA 95 B 1 +ATOM 3528 O O ALA 95 . . F 3 34.971 43.573 22.567 1.00 8.82 ? O ALA 95 B 1 +ATOM 3529 C CB ALA 95 . . F 3 35.441 44.497 25.437 1.00 21.84 ? CB ALA 95 B 1 +ATOM 3530 N N GLU 96 . . F 3 34.514 41.679 23.789 1.00 13.83 ? N GLU 96 B 1 +ATOM 3531 C CA GLU 96 . . F 3 33.592 41.030 22.862 1.00 11.93 ? CA GLU 96 B 1 +ATOM 3532 C C GLU 96 . . F 3 32.340 40.664 23.612 1.00 14.51 ? C GLU 96 B 1 +ATOM 3533 O O GLU 96 . . F 3 32.428 40.087 24.683 1.00 32.79 ? O GLU 96 B 1 +ATOM 3534 C CB GLU 96 . . F 3 34.254 39.766 22.265 1.00 20.4 ? CB GLU 96 B 1 +ATOM 3535 C CG GLU 96 . . F 3 33.574 39.273 20.935 1.00 28.95 ? CG GLU 96 B 1 +ATOM 3536 C CD GLU 96 . . F 3 34.422 38.319 20.052 1.00 35.8 ? CD GLU 96 B 1 +ATOM 3537 O OE1 GLU 96 . . F 3 35.673 38.240 20.153 1.00 26.69 ? OE1 GLU 96 B 1 +ATOM 3538 O OE2 GLU 96 . . F 3 33.818 37.634 19.215 1.00 40.51 ? OE2 GLU 96 B 1 +ATOM 3539 N N ILE 97 . . F 3 31.188 41.012 23.039 1.00 27.77 ? N ILE 97 B 1 +ATOM 3540 C CA ILE 97 . . F 3 29.834 40.816 23.603 1.00 25.08 ? CA ILE 97 B 1 +ATOM 3541 C C ILE 97 . . F 3 29.009 40.262 22.458 1.00 30.78 ? C ILE 97 B 1 +ATOM 3542 O O ILE 97 . . F 3 29.191 40.726 21.325 1.00 31.49 ? O ILE 97 B 1 +ATOM 3543 C CB ILE 97 . . F 3 29.055 42.101 23.952 1.00 21.23 ? CB ILE 97 B 1 +ATOM 3544 C CG1 ILE 97 . . F 3 30.038 43.172 24.341 1.00 26.71 ? CG1 ILE 97 B 1 +ATOM 3545 C CG2 ILE 97 . . F 3 28.044 41.845 25.067 1.00 11.21 ? CG2 ILE 97 B 1 +ATOM 3546 C CD1 ILE 97 . . F 3 29.385 44.524 24.558 1.00 35.75 ? CD1 ILE 97 B 1 +ATOM 3547 N N SER 98 . . F 3 28.094 39.328 22.711 1.00 26.24 ? N SER 98 B 1 +ATOM 3548 C CA SER 98 . . F 3 27.290 38.872 21.596 1.00 21.67 ? CA SER 98 B 1 +ATOM 3549 C C SER 98 . . F 3 26.376 40.022 21.281 1.00 25.28 ? C SER 98 B 1 +ATOM 3550 O O SER 98 . . F 3 26.097 40.903 22.118 1.00 21.48 ? O SER 98 B 1 +ATOM 3551 C CB SER 98 . . F 3 26.394 37.638 21.928 1.00 22.74 ? CB SER 98 B 1 +ATOM 3552 O OG SER 98 . . F 3 25.116 37.952 22.500 1.00 14.02 ? OG SER 98 B 1 +ATOM 3553 N N TYR 99 . . F 3 25.888 40.018 20.065 1.00 34.58 ? N TYR 99 B 1 +ATOM 3554 C CA TYR 99 . . F 3 24.922 41.017 19.717 1.00 34.34 ? CA TYR 99 B 1 +ATOM 3555 C C TYR 99 . . F 3 23.836 40.998 20.792 1.00 36.42 ? C TYR 99 B 1 +ATOM 3556 O O TYR 99 . . F 3 23.600 42.001 21.489 1.00 22.23 ? O TYR 99 B 1 +ATOM 3557 C CB TYR 99 . . F 3 24.379 40.672 18.338 1.00 24.78 ? CB TYR 99 B 1 +ATOM 3558 C CG TYR 99 . . F 3 25.244 41.217 17.212 1.00 24.92 ? CG TYR 99 B 1 +ATOM 3559 C CD1 TYR 99 . . F 3 26.309 42.092 17.472 1.00 22.72 ? CD1 TYR 99 B 1 +ATOM 3560 C CD2 TYR 99 . . F 3 24.941 40.932 15.890 1.00 17.99 ? CD2 TYR 99 B 1 +ATOM 3561 C CE1 TYR 99 . . F 3 27.018 42.660 16.435 1.00 20.29 ? CE1 TYR 99 B 1 +ATOM 3562 C CE2 TYR 99 . . F 3 25.648 41.500 14.863 1.00 19.77 ? CE2 TYR 99 B 1 +ATOM 3563 C CZ TYR 99 . . F 3 26.680 42.368 15.136 1.00 17.87 ? CZ TYR 99 B 1 +ATOM 3564 O OH TYR 99 . . F 3 27.328 42.983 14.086 1.00 17.59 ? OH TYR 99 B 1 +ATOM 3565 N N LYS 100 . . F 3 23.298 39.789 20.971 1.00 41.39 ? N LYS 100 B 1 +ATOM 3566 C CA LYS 100 . . F 3 22.216 39.479 21.898 1.00 45.09 ? CA LYS 100 B 1 +ATOM 3567 C C LYS 100 . . F 3 22.383 40.037 23.298 1.00 45.22 ? C LYS 100 B 1 +ATOM 3568 O O LYS 100 . . F 3 21.424 40.633 23.821 1.00 45.43 ? O LYS 100 B 1 +ATOM 3569 C CB LYS 100 . . F 3 22.038 37.963 21.978 1.00 52.1 ? CB LYS 100 B 1 +ATOM 3570 C CG LYS 100 . . F 3 21.205 37.410 20.826 1.00 55 ? CG LYS 100 B 1 +ATOM 3571 C CD LYS 100 . . F 3 21.606 35.999 20.449 1.00 46.03 ? CD LYS 100 B 1 +ATOM 3572 C CE LYS 100 . . F 3 23.085 36.019 20.072 1.00 55 ? CE LYS 100 B 1 +ATOM 3573 N NZ LYS 100 . . F 3 23.471 37.245 19.279 1.00 43.44 ? NZ LYS 100 B 1 +ATOM 3574 N N LYS 101 . . F 3 23.517 39.878 23.970 1.00 38.98 ? N LYS 101 B 1 +ATOM 3575 C CA LYS 101 . . F 3 23.527 40.494 25.269 1.00 43.3 ? CA LYS 101 B 1 +ATOM 3576 C C LYS 101 . . F 3 23.475 42.005 25.053 1.00 43.04 ? C LYS 101 B 1 +ATOM 3577 O O LYS 101 . . F 3 22.738 42.702 25.760 1.00 39.45 ? O LYS 101 B 1 +ATOM 3578 C CB LYS 101 . . F 3 24.778 40.128 26.076 1.00 47.21 ? CB LYS 101 B 1 +ATOM 3579 C CG LYS 101 . . F 3 24.420 39.340 27.371 1.00 49.39 ? CG LYS 101 B 1 +ATOM 3580 C CD LYS 101 . . F 3 23.393 40.084 28.264 1.00 55 ? CD LYS 101 B 1 +ATOM 3581 C CE LYS 101 . . F 3 22.842 39.294 29.487 1.00 47.16 ? CE LYS 101 B 1 +ATOM 3582 N NZ LYS 101 . . F 3 23.739 39.142 30.656 1.00 42.69 ? NZ LYS 101 B 1 +ATOM 3583 N N PHE 102 . . F 3 24.178 42.516 24.041 1.00 41.4 ? N PHE 102 B 1 +ATOM 3584 C CA PHE 102 . . F 3 24.165 43.961 23.816 1.00 37.49 ? CA PHE 102 B 1 +ATOM 3585 C C PHE 102 . . F 3 22.785 44.494 23.454 1.00 35.61 ? C PHE 102 B 1 +ATOM 3586 O O PHE 102 . . F 3 22.362 45.545 23.975 1.00 45.48 ? O PHE 102 B 1 +ATOM 3587 C CB PHE 102 . . F 3 25.098 44.356 22.707 1.00 33.29 ? CB PHE 102 B 1 +ATOM 3588 C CG PHE 102 . . F 3 25.442 45.812 22.725 1.00 34.45 ? CG PHE 102 B 1 +ATOM 3589 C CD1 PHE 102 . . F 3 26.388 46.300 23.636 1.00 37 ? CD1 PHE 102 B 1 +ATOM 3590 C CD2 PHE 102 . . F 3 24.856 46.700 21.824 1.00 30.26 ? CD2 PHE 102 B 1 +ATOM 3591 C CE1 PHE 102 . . F 3 26.752 47.666 23.641 1.00 30.37 ? CE1 PHE 102 B 1 +ATOM 3592 C CE2 PHE 102 . . F 3 25.214 48.058 21.822 1.00 28.37 ? CE2 PHE 102 B 1 +ATOM 3593 C CZ PHE 102 . . F 3 26.163 48.533 22.731 1.00 33.87 ? CZ PHE 102 B 1 +ATOM 3594 N N ARG 103 . . F 3 22.067 43.792 22.590 1.00 28.86 ? N ARG 103 B 1 +ATOM 3595 C CA ARG 103 . . F 3 20.728 44.225 22.227 1.00 29.67 ? CA ARG 103 B 1 +ATOM 3596 C C ARG 103 . . F 3 19.947 44.491 23.519 1.00 32.28 ? C ARG 103 B 1 +ATOM 3597 O O ARG 103 . . F 3 19.036 45.314 23.560 1.00 37.56 ? O ARG 103 B 1 +ATOM 3598 C CB ARG 103 . . F 3 20.048 43.129 21.405 1.00 39.46 ? CB ARG 103 B 1 +ATOM 3599 C CG ARG 103 . . F 3 18.956 43.610 20.426 1.00 43.95 ? CG ARG 103 B 1 +ATOM 3600 C CD ARG 103 . . F 3 18.323 42.440 19.636 1.00 39.97 ? CD ARG 103 B 1 +ATOM 3601 N NE ARG 103 . . F 3 19.280 41.520 19.018 1.00 31.23 ? NE ARG 103 B 1 +ATOM 3602 C CZ ARG 103 . . F 3 20.363 41.891 18.344 1.00 39.74 ? CZ ARG 103 B 1 +ATOM 3603 N NH1 ARG 103 . . F 3 20.653 43.172 18.186 1.00 41.47 ? NH1 ARG 103 B 1 +ATOM 3604 N NH2 ARG 103 . . F 3 21.161 40.977 17.818 1.00 40.06 ? NH2 ARG 103 B 1 +ATOM 3605 N N GLN 104 . . F 3 20.319 43.766 24.571 1.00 36.68 ? N GLN 104 B 1 +ATOM 3606 C CA GLN 104 . . F 3 19.729 43.908 25.893 1.00 36.85 ? CA GLN 104 B 1 +ATOM 3607 C C GLN 104 . . F 3 20.252 45.120 26.663 1.00 35.07 ? C GLN 104 B 1 +ATOM 3608 O O GLN 104 . . F 3 19.432 45.907 27.118 1.00 43.7 ? O GLN 104 B 1 +ATOM 3609 C CB GLN 104 . . F 3 19.995 42.667 26.764 1.00 45.84 ? CB GLN 104 B 1 +ATOM 3610 C CG GLN 104 . . F 3 19.316 41.355 26.350 1.00 50.71 ? CG GLN 104 B 1 +ATOM 3611 C CD GLN 104 . . F 3 19.618 40.226 27.322 1.00 45.87 ? CD GLN 104 B 1 +ATOM 3612 O OE1 GLN 104 . . F 3 20.110 40.452 28.428 1.00 49.19 ? OE1 GLN 104 B 1 +ATOM 3613 N NE2 GLN 104 . . F 3 19.331 39.005 26.910 1.00 45.34 ? NE2 GLN 104 B 1 +ATOM 3614 N N LEU 105 . . F 3 21.579 45.271 26.824 1.00 21.55 ? N LEU 105 B 1 +ATOM 3615 C CA LEU 105 . . F 3 22.144 46.383 27.587 1.00 14.59 ? CA LEU 105 B 1 +ATOM 3616 C C LEU 105 . . F 3 21.600 47.704 27.146 1.00 22.7 ? C LEU 105 B 1 +ATOM 3617 O O LEU 105 . . F 3 21.640 48.661 27.937 1.00 28.95 ? O LEU 105 B 1 +ATOM 3618 C CB LEU 105 . . F 3 23.653 46.479 27.457 1.00 19 ? CB LEU 105 B 1 +ATOM 3619 C CG LEU 105 . . F 3 24.525 45.496 28.237 1.00 36.59 ? CG LEU 105 B 1 +ATOM 3620 C CD1 LEU 105 . . F 3 24.304 44.076 27.746 1.00 35.92 ? CD1 LEU 105 B 1 +ATOM 3621 C CD2 LEU 105 . . F 3 25.997 45.893 28.046 1.00 39.67 ? CD2 LEU 105 B 1 +ATOM 3622 N N ILE 106 . . F 3 21.144 47.777 25.889 1.00 22.99 ? N ILE 106 B 1 +ATOM 3623 C CA ILE 106 . . F 3 20.510 48.992 25.342 1.00 24.41 ? CA ILE 106 B 1 +ATOM 3624 C C ILE 106 . . F 3 19.124 49.295 25.961 1.00 27.47 ? C ILE 106 B 1 +ATOM 3625 O O ILE 106 . . F 3 18.757 50.464 26.118 1.00 32.6 ? O ILE 106 B 1 +ATOM 3626 C CB ILE 106 . . F 3 20.402 48.840 23.792 1.00 33.4 ? CB ILE 106 B 1 +ATOM 3627 C CG1 ILE 106 . . F 3 21.645 49.494 23.169 1.00 26.21 ? CG1 ILE 106 B 1 +ATOM 3628 C CG2 ILE 106 . . F 3 19.084 49.410 23.283 1.00 27.21 ? CG2 ILE 106 B 1 +ATOM 3629 C CD1 ILE 106 . . F 3 21.859 49.167 21.723 1.00 25.88 ? CD1 ILE 106 B 1 +ATOM 3630 N N GLN 107 . . F 3 18.363 48.250 26.292 1.00 36.21 ? N GLN 107 B 1 +ATOM 3631 C CA GLN 107 . . F 3 17.030 48.326 26.947 1.00 39.5 ? CA GLN 107 B 1 +ATOM 3632 C C GLN 107 . . F 3 17.081 48.867 28.391 1.00 43.18 ? C GLN 107 B 1 +ATOM 3633 O O GLN 107 . . F 3 16.069 49.346 28.912 1.00 45.64 ? O GLN 107 B 1 +ATOM 3634 C CB GLN 107 . . F 3 16.393 46.950 27.015 1.00 36.51 ? CB GLN 107 B 1 +ATOM 3635 C CG GLN 107 . . F 3 16.034 46.394 25.701 1.00 43.78 ? CG GLN 107 B 1 +ATOM 3636 C CD GLN 107 . . F 3 14.899 47.152 25.144 1.00 49.1 ? CD GLN 107 B 1 +ATOM 3637 O OE1 GLN 107 . . F 3 14.085 47.705 25.894 1.00 55 ? OE1 GLN 107 B 1 +ATOM 3638 N NE2 GLN 107 . . F 3 14.819 47.205 23.826 1.00 52.69 ? NE2 GLN 107 B 1 +ATOM 3639 N N VAL 108 . . F 3 18.239 48.686 29.035 1.00 45.91 ? N VAL 108 B 1 +ATOM 3640 C CA VAL 108 . . F 3 18.577 49.115 30.401 1.00 46.45 ? CA VAL 108 B 1 +ATOM 3641 C C VAL 108 . . F 3 19.060 50.571 30.411 1.00 50.06 ? C VAL 108 B 1 +ATOM 3642 O O VAL 108 . . F 3 18.607 51.412 31.205 1.00 45.24 ? O VAL 108 B 1 +ATOM 3643 C CB VAL 108 . . F 3 19.693 48.194 30.968 1.00 48.78 ? CB VAL 108 B 1 +ATOM 3644 C CG1 VAL 108 . . F 3 20.397 48.868 32.132 1.00 49.98 ? CG1 VAL 108 B 1 +ATOM 3645 C CG2 VAL 108 . . F 3 19.072 46.866 31.399 1.00 51.07 ? CG2 VAL 108 B 1 +ATOM 3646 N N ASN 109 . . F 3 20.003 50.854 29.516 1.00 51.18 ? N ASN 109 B 1 +ATOM 3647 C CA ASN 109 . . F 3 20.571 52.186 29.392 1.00 49.47 ? CA ASN 109 B 1 +ATOM 3648 C C ASN 109 . . F 3 20.694 52.580 27.909 1.00 49.01 ? C ASN 109 B 1 +ATOM 3649 O O ASN 109 . . F 3 21.276 51.836 27.122 1.00 48.13 ? O ASN 109 B 1 +ATOM 3650 C CB ASN 109 . . F 3 21.939 52.195 30.066 1.00 42.66 ? CB ASN 109 B 1 +ATOM 3651 C CG ASN 109 . . F 3 22.599 53.558 30.019 1.00 45.82 ? CG ASN 109 B 1 +ATOM 3652 O OD1 ASN 109 . . F 3 23.819 53.670 29.919 1.00 43.9 ? OD1 ASN 109 B 1 +ATOM 3653 N ND2 ASN 109 . . F 3 21.794 54.607 30.097 1.00 37.43 ? ND2 ASN 109 B 1 +ATOM 3654 N N PRO 110 . . F 3 20.122 53.735 27.503 1.00 44.84 ? N PRO 110 B 1 +ATOM 3655 C CA PRO 110 . . F 3 20.150 54.196 26.114 1.00 44.29 ? CA PRO 110 B 1 +ATOM 3656 C C PRO 110 . . F 3 21.492 54.798 25.689 1.00 43.42 ? C PRO 110 B 1 +ATOM 3657 O O PRO 110 . . F 3 21.763 54.932 24.499 1.00 45.4 ? O PRO 110 B 1 +ATOM 3658 C CB PRO 110 . . F 3 18.997 55.190 26.047 1.00 44.19 ? CB PRO 110 B 1 +ATOM 3659 C CG PRO 110 . . F 3 18.143 54.789 27.174 1.00 44.57 ? CG PRO 110 B 1 +ATOM 3660 C CD PRO 110 . . F 3 19.197 54.610 28.232 1.00 44.7 ? CD PRO 110 B 1 +ATOM 3661 N N ASP 111 . . F 3 22.336 55.156 26.648 1.00 40.76 ? N ASP 111 B 1 +ATOM 3662 C CA ASP 111 . . F 3 23.606 55.808 26.337 1.00 35.04 ? CA ASP 111 B 1 +ATOM 3663 C C ASP 111 . . F 3 24.596 54.980 25.517 1.00 34.58 ? C ASP 111 B 1 +ATOM 3664 O O ASP 111 . . F 3 25.265 55.548 24.647 1.00 35.88 ? O ASP 111 B 1 +ATOM 3665 C CB ASP 111 . . F 3 24.286 56.232 27.622 1.00 31.26 ? CB ASP 111 B 1 +ATOM 3666 C CG ASP 111 . . F 3 25.304 57.279 27.390 1.00 27.36 ? CG ASP 111 B 1 +ATOM 3667 O OD1 ASP 111 . . F 3 24.898 58.459 27.399 1.00 30.57 ? OD1 ASP 111 B 1 +ATOM 3668 O OD2 ASP 111 . . F 3 26.490 56.929 27.196 1.00 34.17 ? OD2 ASP 111 B 1 +ATOM 3669 N N ILE 112 . . F 3 24.743 53.675 25.755 1.00 35.4 ? N ILE 112 B 1 +ATOM 3670 C CA ILE 112 . . F 3 25.715 52.980 24.913 1.00 31.11 ? CA ILE 112 B 1 +ATOM 3671 C C ILE 112 . . F 3 25.213 52.937 23.462 1.00 28.23 ? C ILE 112 B 1 +ATOM 3672 O O ILE 112 . . F 3 25.987 53.187 22.570 1.00 21.24 ? O ILE 112 B 1 +ATOM 3673 C CB ILE 112 . . F 3 26.015 51.495 25.352 1.00 18.78 ? CB ILE 112 B 1 +ATOM 3674 C CG1 ILE 112 . . F 3 25.611 51.203 26.785 1.00 16.34 ? CG1 ILE 112 B 1 +ATOM 3675 C CG2 ILE 112 . . F 3 27.530 51.316 25.428 1.00 12.73 ? CG2 ILE 112 B 1 +ATOM 3676 C CD1 ILE 112 . . F 3 24.152 50.990 26.965 1.00 29.32 ? CD1 ILE 112 B 1 +ATOM 3677 N N LEU 113 . . F 3 23.945 52.670 23.196 1.00 21.42 ? N LEU 113 B 1 +ATOM 3678 C CA LEU 113 . . F 3 23.496 52.700 21.790 1.00 35.44 ? CA LEU 113 B 1 +ATOM 3679 C C LEU 113 . . F 3 23.784 54.058 21.087 1.00 39.01 ? C LEU 113 B 1 +ATOM 3680 O O LEU 113 . . F 3 23.894 54.134 19.858 1.00 44.54 ? O LEU 113 B 1 +ATOM 3681 C CB LEU 113 . . F 3 21.989 52.451 21.676 1.00 38.71 ? CB LEU 113 B 1 +ATOM 3682 C CG LEU 113 . . F 3 21.427 52.726 20.270 1.00 37.54 ? CG LEU 113 B 1 +ATOM 3683 C CD1 LEU 113 . . F 3 22.001 51.741 19.230 1.00 36.43 ? CD1 LEU 113 B 1 +ATOM 3684 C CD2 LEU 113 . . F 3 19.912 52.617 20.358 1.00 43.65 ? CD2 LEU 113 B 1 +ATOM 3685 N N MET 114 . . F 3 23.839 55.140 21.851 1.00 45.57 ? N MET 114 B 1 +ATOM 3686 C CA MET 114 . . F 3 24.156 56.429 21.262 1.00 40.81 ? CA MET 114 B 1 +ATOM 3687 C C MET 114 . . F 3 25.621 56.408 20.972 1.00 39.44 ? C MET 114 B 1 +ATOM 3688 O O MET 114 . . F 3 26.039 56.667 19.842 1.00 46.2 ? O MET 114 B 1 +ATOM 3689 C CB MET 114 . . F 3 23.905 57.598 22.209 1.00 32.3 ? CB MET 114 B 1 +ATOM 3690 C CG MET 114 . . F 3 22.466 58.001 22.452 1.00 34.46 ? CG MET 114 B 1 +ATOM 3691 S SD MET 114 . . F 3 21.836 59.359 21.419 1.00 38.84 ? SD MET 114 B 1 +ATOM 3692 C CE MET 114 . . F 3 23.270 60.518 21.406 1.00 30.5 ? CE MET 114 B 1 +ATOM 3693 N N ARG 115 . . F 3 26.409 56.083 21.996 1.00 33.43 ? N ARG 115 B 1 +ATOM 3694 C CA ARG 115 . . F 3 27.864 56.080 21.820 1.00 35.32 ? CA ARG 115 B 1 +ATOM 3695 C C ARG 115 . . F 3 28.296 55.268 20.603 1.00 31 ? C ARG 115 B 1 +ATOM 3696 O O ARG 115 . . F 3 29.396 55.449 20.102 1.00 26.39 ? O ARG 115 B 1 +ATOM 3697 C CB ARG 115 . . F 3 28.544 55.532 23.073 1.00 37.53 ? CB ARG 115 B 1 +ATOM 3698 C CG ARG 115 . . F 3 28.287 56.438 24.238 1.00 34.45 ? CG ARG 115 B 1 +ATOM 3699 C CD ARG 115 . . F 3 29.291 56.170 25.323 1.00 42.05 ? CD ARG 115 B 1 +ATOM 3700 N NE ARG 115 . . F 3 29.150 57.092 26.448 1.00 39.24 ? NE ARG 115 B 1 +ATOM 3701 C CZ ARG 115 . . F 3 30.170 57.471 27.199 1.00 37.47 ? CZ ARG 115 B 1 +ATOM 3702 N NH1 ARG 115 . . F 3 31.383 57.002 26.929 1.00 44.91 ? NH1 ARG 115 B 1 +ATOM 3703 N NH2 ARG 115 . . F 3 29.984 58.311 28.205 1.00 39.68 ? NH2 ARG 115 B 1 +ATOM 3704 N N LEU 116 . . F 3 27.437 54.360 20.156 1.00 26.33 ? N LEU 116 B 1 +ATOM 3705 C CA LEU 116 . . F 3 27.684 53.629 18.940 1.00 20.9 ? CA LEU 116 B 1 +ATOM 3706 C C LEU 116 . . F 3 27.368 54.581 17.779 1.00 22.04 ? C LEU 116 B 1 +ATOM 3707 O O LEU 116 . . F 3 28.260 55.045 17.061 1.00 12.77 ? O LEU 116 B 1 +ATOM 3708 C CB LEU 116 . . F 3 26.770 52.418 18.855 1.00 24.96 ? CB LEU 116 B 1 +ATOM 3709 C CG LEU 116 . . F 3 26.723 51.829 17.441 1.00 31.68 ? CG LEU 116 B 1 +ATOM 3710 C CD1 LEU 116 . . F 3 27.954 50.994 17.288 1.00 33.91 ? CD1 LEU 116 B 1 +ATOM 3711 C CD2 LEU 116 . . F 3 25.448 51.011 17.197 1.00 28 ? CD2 LEU 116 B 1 +ATOM 3712 N N SER 117 . . F 3 26.078 54.882 17.631 1.00 6 ? N SER 117 B 1 +ATOM 3713 C CA SER 117 . . F 3 25.613 55.751 16.564 1.00 9.49 ? CA SER 117 B 1 +ATOM 3714 C C SER 117 . . F 3 26.467 57.004 16.351 1.00 8.5 ? C SER 117 B 1 +ATOM 3715 O O SER 117 . . F 3 26.702 57.362 15.229 1.00 16.84 ? O SER 117 B 1 +ATOM 3716 C CB SER 117 . . F 3 24.186 56.160 16.840 1.00 14.5 ? CB SER 117 B 1 +ATOM 3717 O OG SER 117 . . F 3 23.439 54.978 17.029 1.00 27.72 ? OG SER 117 B 1 +ATOM 3718 N N ALA 118 . . F 3 26.946 57.680 17.373 1.00 18.16 ? N ALA 118 B 1 +ATOM 3719 C CA ALA 118 . . F 3 27.784 58.817 17.061 1.00 25.91 ? CA ALA 118 B 1 +ATOM 3720 C C ALA 118 . . F 3 28.911 58.309 16.164 1.00 26.83 ? C ALA 118 B 1 +ATOM 3721 O O ALA 118 . . F 3 29.224 58.853 15.083 1.00 17.64 ? O ALA 118 B 1 +ATOM 3722 C CB ALA 118 . . F 3 28.364 59.392 18.321 1.00 24.51 ? CB ALA 118 B 1 +ATOM 3723 N N GLN 119 . . F 3 29.495 57.208 16.625 1.00 31.09 ? N GLN 119 B 1 +ATOM 3724 C CA GLN 119 . . F 3 30.617 56.579 15.943 1.00 32.55 ? CA GLN 119 B 1 +ATOM 3725 C C GLN 119 . . F 3 30.248 56.338 14.439 1.00 31.63 ? C GLN 119 B 1 +ATOM 3726 O O GLN 119 . . F 3 30.899 56.868 13.533 1.00 30.13 ? O GLN 119 B 1 +ATOM 3727 C CB GLN 119 . . F 3 30.941 55.266 16.710 1.00 22.88 ? CB GLN 119 B 1 +ATOM 3728 C CG GLN 119 . . F 3 32.426 54.920 16.958 1.00 29.7 ? CG GLN 119 B 1 +ATOM 3729 C CD GLN 119 . . F 3 32.907 54.979 18.422 1.00 20.53 ? CD GLN 119 B 1 +ATOM 3730 O OE1 GLN 119 . . F 3 34.106 54.935 18.692 1.00 28.26 ? OE1 GLN 119 B 1 +ATOM 3731 N NE2 GLN 119 . . F 3 31.989 55.071 19.352 1.00 29.92 ? NE2 GLN 119 B 1 +ATOM 3732 N N MET 120 . . F 3 29.182 55.597 14.161 1.00 25.81 ? N MET 120 B 1 +ATOM 3733 C CA MET 120 . . F 3 28.810 55.369 12.771 1.00 24 ? CA MET 120 B 1 +ATOM 3734 C C MET 120 . . F 3 28.535 56.670 12.010 1.00 22.19 ? C MET 120 B 1 +ATOM 3735 O O MET 120 . . F 3 28.673 56.734 10.797 1.00 30.05 ? O MET 120 B 1 +ATOM 3736 C CB MET 120 . . F 3 27.564 54.493 12.688 1.00 18.75 ? CB MET 120 B 1 +ATOM 3737 C CG MET 120 . . F 3 27.719 53.140 13.321 1.00 14.42 ? CG MET 120 B 1 +ATOM 3738 S SD MET 120 . . F 3 26.207 52.193 13.016 1.00 21.76 ? SD MET 120 B 1 +ATOM 3739 C CE MET 120 . . F 3 25.128 53.111 14.061 1.00 18.57 ? CE MET 120 B 1 +ATOM 3740 N N ALA 121 . . F 3 28.129 57.700 12.726 1.00 14.97 ? N ALA 121 B 1 +ATOM 3741 C CA ALA 121 . . F 3 27.829 58.977 12.127 1.00 13.16 ? CA ALA 121 B 1 +ATOM 3742 C C ALA 121 . . F 3 29.076 59.622 11.592 1.00 15.04 ? C ALA 121 B 1 +ATOM 3743 O O ALA 121 . . F 3 29.053 60.120 10.470 1.00 25.68 ? O ALA 121 B 1 +ATOM 3744 C CB ALA 121 . . F 3 27.195 59.893 13.140 1.00 30.92 ? CB ALA 121 B 1 +ATOM 3745 N N ARG 122 . . F 3 30.176 59.625 12.319 1.00 6 ? N ARG 122 B 1 +ATOM 3746 C CA ARG 122 . . F 3 31.260 60.284 11.666 1.00 12.43 ? CA ARG 122 B 1 +ATOM 3747 C C ARG 122 . . F 3 31.847 59.419 10.595 1.00 21.97 ? C ARG 122 B 1 +ATOM 3748 O O ARG 122 . . F 3 32.390 59.942 9.596 1.00 32.36 ? O ARG 122 B 1 +ATOM 3749 C CB ARG 122 . . F 3 32.334 60.698 12.668 1.00 15.11 ? CB ARG 122 B 1 +ATOM 3750 C CG ARG 122 . . F 3 31.812 61.893 13.549 1.00 32.79 ? CG ARG 122 B 1 +ATOM 3751 C CD ARG 122 . . F 3 30.726 62.871 12.887 1.00 34.68 ? CD ARG 122 B 1 +ATOM 3752 N NE ARG 122 . . F 3 31.056 63.570 11.623 1.00 40.65 ? NE ARG 122 B 1 +ATOM 3753 C CZ ARG 122 . . F 3 30.204 64.329 10.910 1.00 35.47 ? CZ ARG 122 B 1 +ATOM 3754 N NH1 ARG 122 . . F 3 28.954 64.524 11.289 1.00 35.14 ? NH1 ARG 122 B 1 +ATOM 3755 N NH2 ARG 122 . . F 3 30.587 64.922 9.795 1.00 36.21 ? NH2 ARG 122 B 1 +ATOM 3756 N N ARG 123 . . F 3 31.721 58.102 10.752 1.00 31.72 ? N ARG 123 B 1 +ATOM 3757 C CA ARG 123 . . F 3 32.241 57.213 9.707 1.00 28.48 ? CA ARG 123 B 1 +ATOM 3758 C C ARG 123 . . F 3 31.423 57.307 8.437 1.00 22.27 ? C ARG 123 B 1 +ATOM 3759 O O ARG 123 . . F 3 31.967 57.063 7.392 1.00 18.23 ? O ARG 123 B 1 +ATOM 3760 C CB ARG 123 . . F 3 32.245 55.759 10.162 1.00 22.47 ? CB ARG 123 B 1 +ATOM 3761 C CG ARG 123 . . F 3 33.297 55.490 11.184 1.00 20.81 ? CG ARG 123 B 1 +ATOM 3762 C CD ARG 123 . . F 3 32.973 54.200 11.837 1.00 20.58 ? CD ARG 123 B 1 +ATOM 3763 N NE ARG 123 . . F 3 33.871 53.904 12.936 1.00 21.43 ? NE ARG 123 B 1 +ATOM 3764 C CZ ARG 123 . . F 3 33.573 53.029 13.890 1.00 21.5 ? CZ ARG 123 B 1 +ATOM 3765 N NH1 ARG 123 . . F 3 32.408 52.379 13.885 1.00 17.9 ? NH1 ARG 123 B 1 +ATOM 3766 N NH2 ARG 123 . . F 3 34.455 52.779 14.828 1.00 19.75 ? NH2 ARG 123 B 1 +ATOM 3767 N N LEU 124 . . F 3 30.137 57.636 8.492 1.00 12.68 ? N LEU 124 B 1 +ATOM 3768 C CA LEU 124 . . F 3 29.429 57.745 7.231 1.00 9.16 ? CA LEU 124 B 1 +ATOM 3769 C C LEU 124 . . F 3 29.859 59.048 6.586 1.00 14.29 ? C LEU 124 B 1 +ATOM 3770 O O LEU 124 . . F 3 29.702 59.226 5.394 1.00 20.26 ? O LEU 124 B 1 +ATOM 3771 C CB LEU 124 . . F 3 27.903 57.731 7.445 1.00 10.6 ? CB LEU 124 B 1 +ATOM 3772 C CG LEU 124 . . F 3 26.979 57.641 6.209 1.00 20.56 ? CG LEU 124 B 1 +ATOM 3773 C CD1 LEU 124 . . F 3 25.547 57.180 6.558 1.00 17.46 ? CD1 LEU 124 B 1 +ATOM 3774 C CD2 LEU 124 . . F 3 26.898 59.032 5.612 1.00 28.61 ? CD2 LEU 124 B 1 +ATOM 3775 N N GLN 125 . . F 3 30.432 59.970 7.360 1.00 18.57 ? N GLN 125 B 1 +ATOM 3776 C CA GLN 125 . . F 3 30.872 61.227 6.759 1.00 20.3 ? CA GLN 125 B 1 +ATOM 3777 C C GLN 125 . . F 3 32.277 61.071 6.209 1.00 16.47 ? C GLN 125 B 1 +ATOM 3778 O O GLN 125 . . F 3 32.545 61.484 5.080 1.00 24.07 ? O GLN 125 B 1 +ATOM 3779 C CB GLN 125 . . F 3 30.843 62.376 7.787 1.00 19.67 ? CB GLN 125 B 1 +ATOM 3780 C CG GLN 125 . . F 3 30.854 63.805 7.135 1.00 37.57 ? CG GLN 125 B 1 +ATOM 3781 C CD GLN 125 . . F 3 32.149 64.214 6.380 1.00 39.27 ? CD GLN 125 B 1 +ATOM 3782 O OE1 GLN 125 . . F 3 32.143 64.407 5.158 1.00 49.89 ? OE1 GLN 125 B 1 +ATOM 3783 N NE2 GLN 125 . . F 3 33.246 64.361 7.114 1.00 35.42 ? NE2 GLN 125 B 1 +ATOM 3784 N N VAL 126 . . F 3 33.175 60.504 7.000 1.00 6 ? N VAL 126 B 1 +ATOM 3785 C CA VAL 126 . . F 3 34.537 60.277 6.538 1.00 8.95 ? CA VAL 126 B 1 +ATOM 3786 C C VAL 126 . . F 3 34.529 59.417 5.202 1.00 15.59 ? C VAL 126 B 1 +ATOM 3787 O O VAL 126 . . F 3 35.297 59.712 4.276 1.00 20 ? O VAL 126 B 1 +ATOM 3788 C CB VAL 126 . . F 3 35.380 59.550 7.721 1.00 8.3 ? CB VAL 126 B 1 +ATOM 3789 C CG1 VAL 126 . . F 3 34.905 58.180 7.894 1.00 15.07 ? CG1 VAL 126 B 1 +ATOM 3790 C CG2 VAL 126 . . F 3 36.873 59.493 7.417 1.00 7.72 ? CG2 VAL 126 B 1 +ATOM 3791 N N THR 127 . . F 3 33.644 58.404 5.088 1.00 19.23 ? N THR 127 B 1 +ATOM 3792 C CA THR 127 . . F 3 33.524 57.507 3.918 1.00 15.4 ? CA THR 127 B 1 +ATOM 3793 C C THR 127 . . F 3 32.979 58.201 2.645 1.00 16.94 ? C THR 127 B 1 +ATOM 3794 O O THR 127 . . F 3 33.559 58.063 1.576 1.00 19.91 ? O THR 127 B 1 +ATOM 3795 C CB THR 127 . . F 3 32.610 56.314 4.253 1.00 24.38 ? CB THR 127 B 1 +ATOM 3796 O OG1 THR 127 . . F 3 33.053 55.680 5.450 1.00 31.04 ? OG1 THR 127 B 1 +ATOM 3797 C CG2 THR 127 . . F 3 32.682 55.284 3.172 1.00 23.17 ? CG2 THR 127 B 1 +ATOM 3798 N N SER 128 . . F 3 31.845 58.894 2.750 1.00 10.8 ? N SER 128 B 1 +ATOM 3799 C CA SER 128 . . F 3 31.315 59.674 1.655 1.00 7.58 ? CA SER 128 B 1 +ATOM 3800 C C SER 128 . . F 3 32.423 60.618 1.070 1.00 12.15 ? C SER 128 B 1 +ATOM 3801 O O SER 128 . . F 3 32.607 60.720 -0.158 1.00 8.04 ? O SER 128 B 1 +ATOM 3802 C CB SER 128 . . F 3 30.150 60.476 2.167 1.00 7.96 ? CB SER 128 B 1 +ATOM 3803 O OG SER 128 . . F 3 29.043 59.650 2.485 1.00 6 ? OG SER 128 B 1 +ATOM 3804 N N GLU 129 . . F 3 33.206 61.266 1.927 1.00 11.45 ? N GLU 129 B 1 +ATOM 3805 C CA GLU 129 . . F 3 34.292 62.120 1.433 1.00 11.66 ? CA GLU 129 B 1 +ATOM 3806 C C GLU 129 . . F 3 35.148 61.257 0.502 1.00 11.95 ? C GLU 129 B 1 +ATOM 3807 O O GLU 129 . . F 3 35.290 61.536 -0.678 1.00 24.96 ? O GLU 129 B 1 +ATOM 3808 C CB GLU 129 . . F 3 35.167 62.635 2.591 1.00 6 ? CB GLU 129 B 1 +ATOM 3809 C CG GLU 129 . . F 3 35.610 64.074 2.373 1.00 23 ? CG GLU 129 B 1 +ATOM 3810 C CD GLU 129 . . F 3 36.908 64.446 3.091 1.00 20.21 ? CD GLU 129 B 1 +ATOM 3811 O OE1 GLU 129 . . F 3 36.893 64.789 4.286 1.00 31.85 ? OE1 GLU 129 B 1 +ATOM 3812 O OE2 GLU 129 . . F 3 37.975 64.394 2.452 1.00 27.65 ? OE2 GLU 129 B 1 +ATOM 3813 N N LYS 130 . . F 3 35.689 60.177 1.048 1.00 16.14 ? N LYS 130 B 1 +ATOM 3814 C CA LYS 130 . . F 3 36.500 59.203 0.321 1.00 14.93 ? CA LYS 130 B 1 +ATOM 3815 C C LYS 130 . . F 3 35.835 58.836 -1.036 1.00 14.28 ? C LYS 130 B 1 +ATOM 3816 O O LYS 130 . . F 3 36.557 58.632 -2.001 1.00 11.83 ? O LYS 130 B 1 +ATOM 3817 C CB LYS 130 . . F 3 36.679 57.962 1.231 1.00 16.37 ? CB LYS 130 B 1 +ATOM 3818 C CG LYS 130 . . F 3 37.362 56.738 0.607 1.00 19.85 ? CG LYS 130 B 1 +ATOM 3819 C CD LYS 130 . . F 3 38.604 56.245 1.372 1.00 21.79 ? CD LYS 130 B 1 +ATOM 3820 C CE LYS 130 . . F 3 39.044 54.827 0.869 1.00 21.85 ? CE LYS 130 B 1 +ATOM 3821 N NZ LYS 130 . . F 3 40.374 54.326 1.362 1.00 21.02 ? NZ LYS 130 B 1 +ATOM 3822 N N VAL 131 . . F 3 34.504 58.722 -1.147 1.00 6 ? N VAL 131 B 1 +ATOM 3823 C CA VAL 131 . . F 3 33.939 58.472 -2.470 1.00 11.08 ? CA VAL 131 B 1 +ATOM 3824 C C VAL 131 . . F 3 34.271 59.690 -3.361 1.00 10.79 ? C VAL 131 B 1 +ATOM 3825 O O VAL 131 . . F 3 34.871 59.550 -4.417 1.00 20.71 ? O VAL 131 B 1 +ATOM 3826 C CB VAL 131 . . F 3 32.384 58.300 -2.432 1.00 16.43 ? CB VAL 131 B 1 +ATOM 3827 C CG1 VAL 131 . . F 3 31.804 58.196 -3.843 1.00 6 ? CG1 VAL 131 B 1 +ATOM 3828 C CG2 VAL 131 . . F 3 32.042 57.038 -1.676 1.00 22.52 ? CG2 VAL 131 B 1 +ATOM 3829 N N GLY 132 . . F 3 33.937 60.888 -2.902 1.00 12.82 ? N GLY 132 B 1 +ATOM 3830 C CA GLY 132 . . F 3 34.188 62.114 -3.661 1.00 15.93 ? CA GLY 132 B 1 +ATOM 3831 C C GLY 132 . . F 3 35.634 62.332 -4.073 1.00 17.35 ? C GLY 132 B 1 +ATOM 3832 O O GLY 132 . . F 3 35.883 62.873 -5.145 1.00 25.45 ? O GLY 132 B 1 +ATOM 3833 N N ASN 133 . . F 3 36.597 61.971 -3.240 1.00 6 ? N ASN 133 B 1 +ATOM 3834 C CA ASN 133 . . F 3 37.972 62.101 -3.636 1.00 6 ? CA ASN 133 B 1 +ATOM 3835 C C ASN 133 . . F 3 38.319 61.114 -4.754 1.00 10.86 ? C ASN 133 B 1 +ATOM 3836 O O ASN 133 . . F 3 39.092 61.416 -5.648 1.00 26.23 ? O ASN 133 B 1 +ATOM 3837 C CB ASN 133 . . F 3 38.888 61.825 -2.467 1.00 15.42 ? CB ASN 133 B 1 +ATOM 3838 C CG ASN 133 . . F 3 38.730 62.820 -1.357 1.00 25.45 ? CG ASN 133 B 1 +ATOM 3839 O OD1 ASN 133 . . F 3 37.754 63.590 -1.328 1.00 34.73 ? OD1 ASN 133 B 1 +ATOM 3840 N ND2 ASN 133 . . F 3 39.691 62.820 -0.424 1.00 20.65 ? ND2 ASN 133 B 1 +ATOM 3841 N N LEU 134 . . F 3 37.789 59.904 -4.678 1.00 14.24 ? N LEU 134 B 1 +ATOM 3842 C CA LEU 134 . . F 3 38.072 58.891 -5.658 1.00 8.73 ? CA LEU 134 B 1 +ATOM 3843 C C LEU 134 . . F 3 37.540 59.307 -6.984 1.00 15.86 ? C LEU 134 B 1 +ATOM 3844 O O LEU 134 . . F 3 38.081 58.944 -8.014 1.00 17.35 ? O LEU 134 B 1 +ATOM 3845 C CB LEU 134 . . F 3 37.429 57.578 -5.255 1.00 17.51 ? CB LEU 134 B 1 +ATOM 3846 C CG LEU 134 . . F 3 38.083 56.840 -4.100 1.00 8.07 ? CG LEU 134 B 1 +ATOM 3847 C CD1 LEU 134 . . F 3 37.243 55.649 -3.672 1.00 11.18 ? CD1 LEU 134 B 1 +ATOM 3848 C CD2 LEU 134 . . F 3 39.427 56.402 -4.546 1.00 12.76 ? CD2 LEU 134 B 1 +ATOM 3849 N N ALA 135 . . F 3 36.486 60.101 -6.965 1.00 6.03 ? N ALA 135 B 1 +ATOM 3850 C CA ALA 135 . . F 3 35.852 60.491 -8.198 1.00 12.61 ? CA ALA 135 B 1 +ATOM 3851 C C ALA 135 . . F 3 36.146 61.897 -8.755 1.00 14.83 ? C ALA 135 B 1 +ATOM 3852 O O ALA 135 . . F 3 35.803 62.150 -9.922 1.00 11.33 ? O ALA 135 B 1 +ATOM 3853 C CB ALA 135 . . F 3 34.377 60.337 -8.022 1.00 12.38 ? CB ALA 135 B 1 +ATOM 3854 N N PHE 136 . . F 3 36.716 62.801 -7.957 1.00 11.8 ? N PHE 136 B 1 +ATOM 3855 C CA PHE 136 . . F 3 36.961 64.184 -8.384 1.00 18.03 ? CA PHE 136 B 1 +ATOM 3856 C C PHE 136 . . F 3 38.460 64.559 -8.507 1.00 20.12 ? C PHE 136 B 1 +ATOM 3857 O O PHE 136 . . F 3 38.845 65.383 -9.340 1.00 26.36 ? O PHE 136 B 1 +ATOM 3858 C CB PHE 136 . . F 3 36.297 65.172 -7.390 1.00 10.56 ? CB PHE 136 B 1 +ATOM 3859 C CG PHE 136 . . F 3 34.769 65.186 -7.404 1.00 19.16 ? CG PHE 136 B 1 +ATOM 3860 C CD1 PHE 136 . . F 3 34.038 64.808 -8.531 1.00 15.55 ? CD1 PHE 136 B 1 +ATOM 3861 C CD2 PHE 136 . . F 3 34.069 65.603 -6.278 1.00 8.01 ? CD2 PHE 136 B 1 +ATOM 3862 C CE1 PHE 136 . . F 3 32.633 64.847 -8.532 1.00 21.46 ? CE1 PHE 136 B 1 +ATOM 3863 C CE2 PHE 136 . . F 3 32.700 65.641 -6.278 1.00 16.09 ? CE2 PHE 136 B 1 +ATOM 3864 C CZ PHE 136 . . F 3 31.968 65.261 -7.416 1.00 15.36 ? CZ PHE 136 B 1 +ATOM 3865 N N LEU 137 . . F 3 39.276 63.989 -7.634 1.00 12.22 ? N LEU 137 B 1 +ATOM 3866 C CA LEU 137 . . F 3 40.702 64.241 -7.543 1.00 15.52 ? CA LEU 137 B 1 +ATOM 3867 C C LEU 137 . . F 3 41.508 63.185 -8.305 1.00 18.41 ? C LEU 137 B 1 +ATOM 3868 O O LEU 137 . . F 3 41.146 62.006 -8.312 1.00 23.05 ? O LEU 137 B 1 +ATOM 3869 C CB LEU 137 . . F 3 41.104 64.244 -6.055 1.00 18 ? CB LEU 137 B 1 +ATOM 3870 C CG LEU 137 . . F 3 40.643 65.305 -5.042 1.00 13.34 ? CG LEU 137 B 1 +ATOM 3871 C CD1 LEU 137 . . F 3 39.145 65.354 -4.903 1.00 20.49 ? CD1 LEU 137 B 1 +ATOM 3872 C CD2 LEU 137 . . F 3 41.215 64.948 -3.727 1.00 16.84 ? CD2 LEU 137 B 1 +ATOM 3873 N N ASP 138 . . F 3 42.584 63.577 -8.970 1.00 22.68 ? N ASP 138 B 1 +ATOM 3874 C CA ASP 138 . . F 3 43.387 62.577 -9.636 1.00 22.09 ? CA ASP 138 B 1 +ATOM 3875 C C ASP 138 . . F 3 44.246 61.970 -8.544 1.00 25.28 ? C ASP 138 B 1 +ATOM 3876 O O ASP 138 . . F 3 44.199 62.453 -7.414 1.00 36.18 ? O ASP 138 B 1 +ATOM 3877 C CB ASP 138 . . F 3 44.219 63.250 -10.731 1.00 28.7 ? CB ASP 138 B 1 +ATOM 3878 C CG ASP 138 . . F 3 45.076 64.429 -10.232 1.00 37.04 ? CG ASP 138 B 1 +ATOM 3879 O OD1 ASP 138 . . F 3 45.119 64.716 -8.994 1.00 34.49 ? OD1 ASP 138 B 1 +ATOM 3880 O OD2 ASP 138 . . F 3 45.714 65.068 -11.122 1.00 29.88 ? OD2 ASP 138 B 1 +ATOM 3881 N N VAL 139 . . F 3 45.057 60.958 -8.811 1.00 24.71 ? N VAL 139 B 1 +ATOM 3882 C CA VAL 139 . . F 3 45.800 60.372 -7.694 1.00 21.17 ? CA VAL 139 B 1 +ATOM 3883 C C VAL 139 . . F 3 46.641 61.350 -6.907 1.00 19.93 ? C VAL 139 B 1 +ATOM 3884 O O VAL 139 . . F 3 46.610 61.356 -5.677 1.00 24.54 ? O VAL 139 B 1 +ATOM 3885 C CB VAL 139 . . F 3 46.744 59.261 -8.151 1.00 17.54 ? CB VAL 139 B 1 +ATOM 3886 C CG1 VAL 139 . . F 3 47.612 59.765 -9.247 1.00 20.87 ? CG1 VAL 139 B 1 +ATOM 3887 C CG2 VAL 139 . . F 3 47.635 58.818 -6.997 1.00 21.72 ? CG2 VAL 139 B 1 +ATOM 3888 N N THR 140 . . F 3 47.378 62.182 -7.606 1.00 15.47 ? N THR 140 B 1 +ATOM 3889 C CA THR 140 . . F 3 48.290 63.094 -6.948 1.00 23.09 ? CA THR 140 B 1 +ATOM 3890 C C THR 140 . . F 3 47.601 63.827 -5.830 1.00 23.55 ? C THR 140 B 1 +ATOM 3891 O O THR 140 . . F 3 48.171 64.024 -4.763 1.00 32.52 ? O THR 140 B 1 +ATOM 3892 C CB THR 140 . . F 3 48.830 64.122 -7.930 1.00 36.35 ? CB THR 140 B 1 +ATOM 3893 O OG1 THR 140 . . F 3 49.309 63.447 -9.099 1.00 49.26 ? OG1 THR 140 B 1 +ATOM 3894 C CG2 THR 140 . . F 3 49.975 64.901 -7.312 1.00 37.86 ? CG2 THR 140 B 1 +ATOM 3895 N N GLY 141 . . F 3 46.350 64.191 -6.075 1.00 28.77 ? N GLY 141 B 1 +ATOM 3896 C CA GLY 141 . . F 3 45.581 64.957 -5.103 1.00 31.58 ? CA GLY 141 B 1 +ATOM 3897 C C GLY 141 . . F 3 45.141 64.130 -3.924 1.00 31.19 ? C GLY 141 B 1 +ATOM 3898 O O GLY 141 . . F 3 45.248 64.560 -2.763 1.00 37.76 ? O GLY 141 B 1 +ATOM 3899 N N ARG 142 . . F 3 44.603 62.956 -4.223 1.00 31.85 ? N ARG 142 B 1 +ATOM 3900 C CA ARG 142 . . F 3 44.211 62.081 -3.157 1.00 25.46 ? CA ARG 142 B 1 +ATOM 3901 C C ARG 142 . . F 3 45.450 61.869 -2.261 1.00 25.68 ? C ARG 142 B 1 +ATOM 3902 O O ARG 142 . . F 3 45.363 62.027 -1.069 1.00 27.72 ? O ARG 142 B 1 +ATOM 3903 C CB ARG 142 . . F 3 43.722 60.763 -3.742 1.00 22.37 ? CB ARG 142 B 1 +ATOM 3904 C CG ARG 142 . . F 3 42.500 60.883 -4.651 1.00 26.83 ? CG ARG 142 B 1 +ATOM 3905 C CD ARG 142 . . F 3 41.977 59.512 -5.169 1.00 23.63 ? CD ARG 142 B 1 +ATOM 3906 N NE ARG 142 . . F 3 42.940 58.803 -6.021 1.00 25.58 ? NE ARG 142 B 1 +ATOM 3907 C CZ ARG 142 . . F 3 42.659 57.742 -6.776 1.00 26.34 ? CZ ARG 142 B 1 +ATOM 3908 N NH1 ARG 142 . . F 3 41.441 57.241 -6.792 1.00 34.31 ? NH1 ARG 142 B 1 +ATOM 3909 N NH2 ARG 142 . . F 3 43.585 57.196 -7.543 1.00 19.41 ? NH2 ARG 142 B 1 +ATOM 3910 N N ILE 143 . . F 3 46.626 61.591 -2.804 1.00 26.2 ? N ILE 143 B 1 +ATOM 3911 C CA ILE 143 . . F 3 47.767 61.371 -1.927 1.00 22.59 ? CA ILE 143 B 1 +ATOM 3912 C C ILE 143 . . F 3 48.079 62.556 -1.008 1.00 26.27 ? C ILE 143 B 1 +ATOM 3913 O O ILE 143 . . F 3 48.538 62.353 0.115 1.00 26.91 ? O ILE 143 B 1 +ATOM 3914 C CB ILE 143 . . F 3 49.051 61.046 -2.743 1.00 22.51 ? CB ILE 143 B 1 +ATOM 3915 C CG1 ILE 143 . . F 3 48.902 59.687 -3.421 1.00 15.96 ? CG1 ILE 143 B 1 +ATOM 3916 C CG2 ILE 143 . . F 3 50.274 60.991 -1.812 1.00 22.73 ? CG2 ILE 143 B 1 +ATOM 3917 C CD1 ILE 143 . . F 3 50.195 59.206 -4.005 1.00 22.99 ? CD1 ILE 143 B 1 +ATOM 3918 N N ALA 144 . . F 3 47.855 63.789 -1.445 1.00 26.86 ? N ALA 144 B 1 +ATOM 3919 C CA ALA 144 . . F 3 48.167 64.906 -0.564 1.00 30.91 ? CA ALA 144 B 1 +ATOM 3920 C C ALA 144 . . F 3 47.135 65.015 0.571 1.00 33.44 ? C ALA 144 B 1 +ATOM 3921 O O ALA 144 . . F 3 47.458 65.510 1.658 1.00 31.27 ? O ALA 144 B 1 +ATOM 3922 C CB ALA 144 . . F 3 48.207 66.195 -1.368 1.00 31.26 ? CB ALA 144 B 1 +ATOM 3923 N N GLN 145 . . F 3 45.893 64.597 0.321 1.00 26 ? N GLN 145 B 1 +ATOM 3924 C CA GLN 145 . . F 3 44.905 64.565 1.390 1.00 28.49 ? CA GLN 145 B 1 +ATOM 3925 C C GLN 145 . . F 3 45.285 63.446 2.373 1.00 32.2 ? C GLN 145 B 1 +ATOM 3926 O O GLN 145 . . F 3 45.200 63.601 3.600 1.00 35.21 ? O GLN 145 B 1 +ATOM 3927 C CB GLN 145 . . F 3 43.509 64.298 0.828 1.00 33.11 ? CB GLN 145 B 1 +ATOM 3928 C CG GLN 145 . . F 3 42.873 65.530 0.117 1.00 39.62 ? CG GLN 145 B 1 +ATOM 3929 C CD GLN 145 . . F 3 41.639 66.075 0.844 1.00 39.15 ? CD GLN 145 B 1 +ATOM 3930 O OE1 GLN 145 . . F 3 41.691 66.411 2.036 1.00 35.62 ? OE1 GLN 145 B 1 +ATOM 3931 N NE2 GLN 145 . . F 3 40.515 66.150 0.123 1.00 48.64 ? NE2 GLN 145 B 1 +ATOM 3932 N N THR 146 . . F 3 45.706 62.307 1.838 1.00 31.18 ? N THR 146 B 1 +ATOM 3933 C CA THR 146 . . F 3 46.137 61.186 2.663 1.00 25.08 ? CA THR 146 B 1 +ATOM 3934 C C THR 146 . . F 3 47.327 61.604 3.537 1.00 24.65 ? C THR 146 B 1 +ATOM 3935 O O THR 146 . . F 3 47.277 61.392 4.750 1.00 22.06 ? O THR 146 B 1 +ATOM 3936 C CB THR 146 . . F 3 46.500 60.021 1.735 1.00 16.96 ? CB THR 146 B 1 +ATOM 3937 O OG1 THR 146 . . F 3 45.279 59.522 1.188 1.00 14.17 ? OG1 THR 146 B 1 +ATOM 3938 C CG2 THR 146 . . F 3 47.273 58.931 2.452 1.00 24.2 ? CG2 THR 146 B 1 +ATOM 3939 N N LEU 147 . . F 3 48.358 62.221 2.936 1.00 21.29 ? N LEU 147 B 1 +ATOM 3940 C CA LEU 147 . . F 3 49.525 62.693 3.678 1.00 23.74 ? CA LEU 147 B 1 +ATOM 3941 C C LEU 147 . . F 3 49.137 63.771 4.687 1.00 26.49 ? C LEU 147 B 1 +ATOM 3942 O O LEU 147 . . F 3 49.794 63.955 5.719 1.00 32.72 ? O LEU 147 B 1 +ATOM 3943 C CB LEU 147 . . F 3 50.582 63.227 2.706 1.00 30.23 ? CB LEU 147 B 1 +ATOM 3944 C CG LEU 147 . . F 3 51.070 62.103 1.774 1.00 32.85 ? CG LEU 147 B 1 +ATOM 3945 C CD1 LEU 147 . . F 3 52.528 62.339 1.401 1.00 25.47 ? CD1 LEU 147 B 1 +ATOM 3946 C CD2 LEU 147 . . F 3 50.994 60.760 2.493 1.00 31.35 ? CD2 LEU 147 B 1 +ATOM 3947 N N LEU 148 . . F 3 48.045 64.580 4.591 1.00 30.37 ? N LEU 148 B 1 +ATOM 3948 C CA LEU 148 . . F 3 47.562 65.608 5.485 1.00 33.47 ? CA LEU 148 B 1 +ATOM 3949 C C LEU 148 . . F 3 46.823 64.850 6.610 1.00 30.49 ? C LEU 148 B 1 +ATOM 3950 O O LEU 148 . . F 3 47.376 64.706 7.697 1.00 29.91 ? O LEU 148 B 1 +ATOM 3951 C CB LEU 148 . . F 3 46.619 66.555 4.722 1.00 35.58 ? CB LEU 148 B 1 +ATOM 3952 C CG LEU 148 . . F 3 47.059 68.031 4.696 1.00 43.84 ? CG LEU 148 B 1 +ATOM 3953 C CD1 LEU 148 . . F 3 48.463 68.129 4.098 1.00 43.67 ? CD1 LEU 148 B 1 +ATOM 3954 C CD2 LEU 148 . . F 3 46.048 68.862 3.895 1.00 37.67 ? CD2 LEU 148 B 1 +ATOM 3955 N N ASN 149 . . F 3 45.649 64.280 6.298 1.00 29.34 ? N ASN 149 B 1 +ATOM 3956 C CA ASN 149 . . F 3 44.803 63.477 7.202 1.00 30.43 ? CA ASN 149 B 1 +ATOM 3957 C C ASN 149 . . F 3 45.559 62.391 7.989 1.00 36.59 ? C ASN 149 B 1 +ATOM 3958 O O ASN 149 . . F 3 45.274 62.183 9.182 1.00 44.05 ? O ASN 149 B 1 +ATOM 3959 C CB ASN 149 . . F 3 43.657 62.803 6.404 1.00 43.77 ? CB ASN 149 B 1 +ATOM 3960 C CG ASN 149 . . F 3 42.532 63.796 5.972 1.00 50.5 ? CG ASN 149 B 1 +ATOM 3961 O OD1 ASN 149 . . F 3 41.773 64.313 6.807 1.00 54.81 ? OD1 ASN 149 B 1 +ATOM 3962 N ND2 ASN 149 . . F 3 42.420 64.045 4.665 1.00 44.07 ? ND2 ASN 149 B 1 +ATOM 3963 N N LEU 150 . . F 3 46.500 61.686 7.368 1.00 28.2 ? N LEU 150 B 1 +ATOM 3964 C CA LEU 150 . . F 3 47.252 60.701 8.124 1.00 29 ? CA LEU 150 B 1 +ATOM 3965 C C LEU 150 . . F 3 48.101 61.383 9.160 1.00 30.94 ? C LEU 150 B 1 +ATOM 3966 O O LEU 150 . . F 3 48.020 61.119 10.362 1.00 33.3 ? O LEU 150 B 1 +ATOM 3967 C CB LEU 150 . . F 3 48.197 59.900 7.237 1.00 30.48 ? CB LEU 150 B 1 +ATOM 3968 C CG LEU 150 . . F 3 47.712 58.822 6.268 1.00 32.55 ? CG LEU 150 B 1 +ATOM 3969 C CD1 LEU 150 . . F 3 48.860 58.436 5.328 1.00 25.04 ? CD1 LEU 150 B 1 +ATOM 3970 C CD2 LEU 150 . . F 3 47.206 57.619 7.068 1.00 33.4 ? CD2 LEU 150 B 1 +ATOM 3971 N N ALA 151 . . F 3 48.945 62.260 8.640 1.00 35.89 ? N ALA 151 B 1 +ATOM 3972 C CA ALA 151 . . F 3 49.911 62.994 9.425 1.00 38.49 ? CA ALA 151 B 1 +ATOM 3973 C C ALA 151 . . F 3 49.263 63.982 10.393 1.00 38.55 ? C ALA 151 B 1 +ATOM 3974 O O ALA 151 . . F 3 49.517 65.171 10.334 1.00 35.91 ? O ALA 151 B 1 +ATOM 3975 C CB ALA 151 . . F 3 50.849 63.716 8.469 1.00 37.11 ? CB ALA 151 B 1 +ATOM 3976 N N LYS 152 . . F 3 48.456 63.474 11.311 1.00 39.55 ? N LYS 152 B 1 +ATOM 3977 C CA LYS 152 . . F 3 47.762 64.290 12.310 1.00 39.82 ? CA LYS 152 B 1 +ATOM 3978 C C LYS 152 . . F 3 47.097 63.343 13.328 1.00 45.4 ? C LYS 152 B 1 +ATOM 3979 O O LYS 152 . . F 3 47.347 63.475 14.534 1.00 50.61 ? O LYS 152 B 1 +ATOM 3980 C CB LYS 152 . . F 3 46.696 65.171 11.637 1.00 44.12 ? CB LYS 152 B 1 +ATOM 3981 C CG LYS 152 . . F 3 45.904 66.075 12.594 1.00 48.42 ? CG LYS 152 B 1 +ATOM 3982 C CD LYS 152 . . F 3 44.689 66.680 11.891 1.00 51.82 ? CD LYS 152 B 1 +ATOM 3983 C CE LYS 152 . . F 3 43.669 67.278 12.877 1.00 52.07 ? CE LYS 152 B 1 +ATOM 3984 N NZ LYS 152 . . F 3 44.139 68.422 13.702 1.00 40.63 ? NZ LYS 152 B 1 +ATOM 3985 N N GLN 153 . . F 3 46.273 62.400 12.850 1.00 45.18 ? N GLN 153 B 1 +ATOM 3986 C CA GLN 153 . . F 3 45.621 61.377 13.690 1.00 44.36 ? CA GLN 153 B 1 +ATOM 3987 C C GLN 153 . . F 3 46.688 60.682 14.582 1.00 46.16 ? C GLN 153 B 1 +ATOM 3988 O O GLN 153 . . F 3 47.806 60.444 14.116 1.00 51.06 ? O GLN 153 B 1 +ATOM 3989 C CB GLN 153 . . F 3 44.957 60.339 12.782 1.00 45.12 ? CB GLN 153 B 1 +ATOM 3990 C CG GLN 153 . . F 3 44.263 59.139 13.463 1.00 44.46 ? CG GLN 153 B 1 +ATOM 3991 C CD GLN 153 . . F 3 43.840 58.040 12.459 1.00 42.69 ? CD GLN 153 B 1 +ATOM 3992 O OE1 GLN 153 . . F 3 44.689 57.485 11.756 1.00 36.97 ? OE1 GLN 153 B 1 +ATOM 3993 N NE2 GLN 153 . . F 3 42.536 57.732 12.394 1.00 37 ? NE2 GLN 153 B 1 +ATOM 3994 N N PRO 154 . . F 3 46.375 60.349 15.856 1.00 44.48 ? N PRO 154 B 1 +ATOM 3995 C CA PRO 154 . . F 3 47.330 59.796 16.833 1.00 45.29 ? CA PRO 154 B 1 +ATOM 3996 C C PRO 154 . . F 3 48.086 58.512 16.433 1.00 48.4 ? C PRO 154 B 1 +ATOM 3997 O O PRO 154 . . F 3 47.643 57.383 16.624 1.00 51.99 ? O PRO 154 B 1 +ATOM 3998 C CB PRO 154 . . F 3 46.486 59.655 18.092 1.00 50.13 ? CB PRO 154 B 1 +ATOM 3999 C CG PRO 154 . . F 3 45.624 60.875 18.000 1.00 55 ? CG PRO 154 B 1 +ATOM 4000 C CD PRO 154 . . F 3 45.092 60.628 16.568 1.00 47.81 ? CD PRO 154 B 1 +ATOM 4001 N N ASP 155 . . F 3 49.271 58.836 15.919 1.00 47.86 ? N ASP 155 B 1 +ATOM 4002 C CA ASP 155 . . F 3 50.307 57.924 15.422 1.00 48.66 ? CA ASP 155 B 1 +ATOM 4003 C C ASP 155 . . F 3 51.511 58.767 15.104 1.00 49.94 ? C ASP 155 B 1 +ATOM 4004 O O ASP 155 . . F 3 52.688 58.380 15.158 1.00 45.02 ? O ASP 155 B 1 +ATOM 4005 C CB ASP 155 . . F 3 49.861 57.155 14.123 1.00 55 ? CB ASP 155 B 1 +ATOM 4006 C CG ASP 155 . . F 3 50.571 57.591 12.799 1.00 54.97 ? CG ASP 155 B 1 +ATOM 4007 O OD1 ASP 155 . . F 3 51.786 57.298 12.542 1.00 44.54 ? OD1 ASP 155 B 1 +ATOM 4008 O OD2 ASP 155 . . F 3 49.881 58.230 11.960 1.00 44.54 ? OD2 ASP 155 B 1 +ATOM 4009 N N ALA 156 . . F 3 51.065 59.955 14.702 1.00 54.47 ? N ALA 156 B 1 +ATOM 4010 C CA ALA 156 . . F 3 51.808 61.123 14.319 1.00 55 ? CA ALA 156 B 1 +ATOM 4011 C C ALA 156 . . F 3 52.422 61.689 15.583 1.00 55 ? C ALA 156 B 1 +ATOM 4012 O O ALA 156 . . F 3 51.773 61.763 16.654 1.00 53.46 ? O ALA 156 B 1 +ATOM 4013 C CB ALA 156 . . F 3 50.866 62.140 13.676 1.00 51.25 ? CB ALA 156 B 1 +ATOM 4014 N N MET 157 . . F 3 53.699 62.030 15.458 1.00 55 ? N MET 157 B 1 +ATOM 4015 C CA MET 157 . . F 3 54.425 62.628 16.543 1.00 55 ? CA MET 157 B 1 +ATOM 4016 C C MET 157 . . F 3 55.127 63.893 16.017 1.00 55 ? C MET 157 B 1 +ATOM 4017 O O MET 157 . . F 3 55.805 63.932 14.963 1.00 48.49 ? O MET 157 B 1 +ATOM 4018 C CB MET 157 . . F 3 55.408 61.583 17.129 1.00 53.29 ? CB MET 157 B 1 +ATOM 4019 C CG MET 157 . . F 3 56.129 60.751 16.143 1.00 48.98 ? CG MET 157 B 1 +ATOM 4020 S SD MET 157 . . F 3 57.179 61.862 15.329 1.00 51.78 ? SD MET 157 B 1 +ATOM 4021 C CE MET 157 . . F 3 58.818 61.278 16.015 1.00 52.5 ? CE MET 157 B 1 +ATOM 4022 N N THR 158 . . F 3 54.837 64.933 16.804 1.00 55 ? N THR 158 B 1 +ATOM 4023 C CA THR 158 . . F 3 55.202 66.330 16.660 1.00 53.39 ? CA THR 158 B 1 +ATOM 4024 C C THR 158 . . F 3 56.591 66.580 16.122 1.00 48.24 ? C THR 158 B 1 +ATOM 4025 O O THR 158 . . F 3 57.573 66.618 16.859 1.00 49.13 ? O THR 158 B 1 +ATOM 4026 C CB THR 158 . . F 3 55.025 67.036 18.043 1.00 50.88 ? CB THR 158 B 1 +ATOM 4027 O OG1 THR 158 . . F 3 55.915 66.474 19.026 1.00 55 ? OG1 THR 158 B 1 +ATOM 4028 C CG2 THR 158 . . F 3 53.585 66.830 18.536 1.00 53.52 ? CG2 THR 158 B 1 +ATOM 4029 N N HIS 159 . . F 3 56.673 66.718 14.810 1.00 44.88 ? N HIS 159 B 1 +ATOM 4030 C CA HIS 159 . . F 3 57.934 67.045 14.200 1.00 43.77 ? CA HIS 159 B 1 +ATOM 4031 C C HIS 159 . . F 3 58.139 68.524 14.441 1.00 46.4 ? C HIS 159 B 1 +ATOM 4032 O O HIS 159 . . F 3 57.165 69.284 14.555 1.00 40.91 ? O HIS 159 B 1 +ATOM 4033 C CB HIS 159 . . F 3 57.866 66.743 12.726 1.00 46.27 ? CB HIS 159 B 1 +ATOM 4034 C CG HIS 159 . . F 3 59.066 67.176 11.945 1.00 55 ? CG HIS 159 B 1 +ATOM 4035 N ND1 HIS 159 . . F 3 59.009 68.169 10.989 1.00 53.65 ? ND1 HIS 159 B 1 +ATOM 4036 C CD2 HIS 159 . . F 3 60.344 66.723 11.944 1.00 55 ? CD2 HIS 159 B 1 +ATOM 4037 C CE1 HIS 159 . . F 3 60.197 68.309 10.429 1.00 54.98 ? CE1 HIS 159 B 1 +ATOM 4038 N NE2 HIS 159 . . F 3 61.025 67.444 10.990 1.00 55 ? NE2 HIS 159 B 1 +ATOM 4039 N N PRO 160 . . F 3 59.399 68.952 14.550 1.00 44.57 ? N PRO 160 B 1 +ATOM 4040 C CA PRO 160 . . F 3 59.632 70.383 14.673 1.00 46.27 ? CA PRO 160 B 1 +ATOM 4041 C C PRO 160 . . F 3 58.796 71.180 13.693 1.00 47.62 ? C PRO 160 B 1 +ATOM 4042 O O PRO 160 . . F 3 57.881 71.903 14.096 1.00 42.67 ? O PRO 160 B 1 +ATOM 4043 C CB PRO 160 . . F 3 61.154 70.500 14.484 1.00 49.93 ? CB PRO 160 B 1 +ATOM 4044 C CG PRO 160 . . F 3 61.561 69.150 13.850 1.00 44.48 ? CG PRO 160 B 1 +ATOM 4045 C CD PRO 160 . . F 3 60.694 68.242 14.655 1.00 45.18 ? CD PRO 160 B 1 +ATOM 4046 N N ASP 161 . . F 3 59.066 70.972 12.411 1.00 47.88 ? N ASP 161 B 1 +ATOM 4047 C CA ASP 161 . . F 3 58.380 71.698 11.349 1.00 51.76 ? CA ASP 161 B 1 +ATOM 4048 C C ASP 161 . . F 3 57.628 70.797 10.384 1.00 48.81 ? C ASP 161 B 1 +ATOM 4049 O O ASP 161 . . F 3 58.151 70.392 9.354 1.00 50.04 ? O ASP 161 B 1 +ATOM 4050 C CB ASP 161 . . F 3 59.406 72.557 10.585 1.00 53.23 ? CB ASP 161 B 1 +ATOM 4051 C CG ASP 161 . . F 3 60.731 71.835 10.313 1.00 54.5 ? CG ASP 161 B 1 +ATOM 4052 O OD1 ASP 161 . . F 3 61.110 70.922 11.084 1.00 55 ? OD1 ASP 161 B 1 +ATOM 4053 O OD2 ASP 161 . . F 3 61.413 72.204 9.327 1.00 46.76 ? OD2 ASP 161 B 1 +ATOM 4054 N N GLY 162 . . F 3 56.383 70.510 10.753 1.00 51.92 ? N GLY 162 B 1 +ATOM 4055 C CA GLY 162 . . F 3 55.512 69.638 9.978 1.00 55 ? CA GLY 162 B 1 +ATOM 4056 C C GLY 162 . . F 3 55.595 68.232 10.546 1.00 53.21 ? C GLY 162 B 1 +ATOM 4057 O O GLY 162 . . F 3 56.650 67.598 10.457 1.00 54.57 ? O GLY 162 B 1 +ATOM 4058 N N MET 163 . . F 3 54.503 67.717 11.099 1.00 49.86 ? N MET 163 B 1 +ATOM 4059 C CA MET 163 . . F 3 54.551 66.403 11.744 1.00 52.68 ? CA MET 163 B 1 +ATOM 4060 C C MET 163 . . F 3 55.250 65.317 10.867 1.00 47.7 ? C MET 163 B 1 +ATOM 4061 O O MET 163 . . F 3 55.523 65.524 9.678 1.00 48.63 ? O MET 163 B 1 +ATOM 4062 C CB MET 163 . . F 3 53.094 66.005 12.107 1.00 55 ? CB MET 163 B 1 +ATOM 4063 C CG MET 163 . . F 3 52.847 65.613 13.614 1.00 55 ? CG MET 163 B 1 +ATOM 4064 S SD MET 163 . . F 3 51.658 66.625 14.644 1.00 55 ? SD MET 163 B 1 +ATOM 4065 C CE MET 163 . . F 3 50.143 65.568 14.809 1.00 46.43 ? CE MET 163 B 1 +ATOM 4066 N N GLN 164 . . F 3 55.587 64.186 11.483 1.00 45.05 ? N GLN 164 B 1 +ATOM 4067 C CA GLN 164 . . F 3 56.250 63.059 10.807 1.00 43.95 ? CA GLN 164 B 1 +ATOM 4068 C C GLN 164 . . F 3 55.277 61.874 10.714 1.00 38.8 ? C GLN 164 B 1 +ATOM 4069 O O GLN 164 . . F 3 54.162 61.981 11.192 1.00 38.75 ? O GLN 164 B 1 +ATOM 4070 C CB GLN 164 . . F 3 57.496 62.639 11.615 1.00 48.68 ? CB GLN 164 B 1 +ATOM 4071 C CG GLN 164 . . F 3 58.425 61.637 10.902 1.00 53.71 ? CG GLN 164 B 1 +ATOM 4072 C CD GLN 164 . . F 3 59.448 60.940 11.809 1.00 55 ? CD GLN 164 B 1 +ATOM 4073 O OE1 GLN 164 . . F 3 59.585 59.718 11.753 1.00 55 ? OE1 GLN 164 B 1 +ATOM 4074 N NE2 GLN 164 . . F 3 60.168 61.701 12.630 1.00 54.88 ? NE2 GLN 164 B 1 +ATOM 4075 N N ILE 165 . . F 3 55.668 60.766 10.087 1.00 39.47 ? N ILE 165 B 1 +ATOM 4076 C CA ILE 165 . . F 3 54.848 59.541 10.067 1.00 38.7 ? CA ILE 165 B 1 +ATOM 4077 C C ILE 165 . . F 3 55.505 58.363 9.356 1.00 42.11 ? C ILE 165 B 1 +ATOM 4078 O O ILE 165 . . F 3 56.317 58.519 8.432 1.00 40.68 ? O ILE 165 B 1 +ATOM 4079 C CB ILE 165 . . F 3 53.459 59.695 9.359 1.00 37.04 ? CB ILE 165 B 1 +ATOM 4080 C CG1 ILE 165 . . F 3 53.525 60.791 8.302 1.00 38.07 ? CG1 ILE 165 B 1 +ATOM 4081 C CG2 ILE 165 . . F 3 52.397 59.929 10.390 1.00 31.08 ? CG2 ILE 165 B 1 +ATOM 4082 C CD1 ILE 165 . . F 3 52.279 60.817 7.436 1.00 33.42 ? CD1 ILE 165 B 1 +ATOM 4083 N N LYS 166 . . F 3 55.144 57.160 9.798 1.00 43.75 ? N LYS 166 B 1 +ATOM 4084 C CA LYS 166 . . F 3 55.686 55.965 9.170 1.00 47.5 ? CA LYS 166 B 1 +ATOM 4085 C C LYS 166 . . F 3 54.650 55.228 8.317 1.00 44.84 ? C LYS 166 B 1 +ATOM 4086 O O LYS 166 . . F 3 53.716 54.611 8.843 1.00 50.95 ? O LYS 166 B 1 +ATOM 4087 C CB LYS 166 . . F 3 56.245 55.005 10.245 1.00 47.59 ? CB LYS 166 B 1 +ATOM 4088 C CG LYS 166 . . F 3 57.686 55.344 10.697 1.00 49.51 ? CG LYS 166 B 1 +ATOM 4089 C CD LYS 166 . . F 3 58.351 54.263 11.567 1.00 46.92 ? CD LYS 166 B 1 +ATOM 4090 C CE LYS 166 . . F 3 59.844 54.562 11.843 1.00 45.09 ? CE LYS 166 B 1 +ATOM 4091 N NZ LYS 166 . . F 3 60.114 55.861 12.545 1.00 42.81 ? NZ LYS 166 B 1 +ATOM 4092 N N ILE 167 . . F 3 54.787 55.324 6.996 1.00 42.84 ? N ILE 167 B 1 +ATOM 4093 C CA ILE 167 . . F 3 53.883 54.597 6.088 1.00 37.44 ? CA ILE 167 B 1 +ATOM 4094 C C ILE 167 . . F 3 54.693 54.168 4.864 1.00 33.72 ? C ILE 167 B 1 +ATOM 4095 O O ILE 167 . . F 3 55.668 54.814 4.513 1.00 28.89 ? O ILE 167 B 1 +ATOM 4096 C CB ILE 167 . . F 3 52.654 55.497 5.634 1.00 28.54 ? CB ILE 167 B 1 +ATOM 4097 C CG1 ILE 167 . . F 3 51.650 54.670 4.830 1.00 16.11 ? CG1 ILE 167 B 1 +ATOM 4098 C CG2 ILE 167 . . F 3 53.118 56.624 4.818 1.00 23.25 ? CG2 ILE 167 B 1 +ATOM 4099 C CD1 ILE 167 . . F 3 50.659 53.871 5.696 1.00 18.41 ? CD1 ILE 167 B 1 +ATOM 4100 N N THR 168 . . F 3 54.336 53.032 4.283 1.00 30.38 ? N THR 168 B 1 +ATOM 4101 C CA THR 168 . . F 3 55.007 52.518 3.096 1.00 29.2 ? CA THR 168 B 1 +ATOM 4102 C C THR 168 . . F 3 54.283 53.040 1.879 1.00 28.14 ? C THR 168 B 1 +ATOM 4103 O O THR 168 . . F 3 53.057 53.222 1.946 1.00 29.74 ? O THR 168 B 1 +ATOM 4104 C CB THR 168 . . F 3 54.975 50.942 3.031 1.00 34.9 ? CB THR 168 B 1 +ATOM 4105 O OG1 THR 168 . . F 3 53.696 50.484 3.520 1.00 38.08 ? OG1 THR 168 B 1 +ATOM 4106 C CG2 THR 168 . . F 3 56.127 50.314 3.840 1.00 31.41 ? CG2 THR 168 B 1 +ATOM 4107 N N ARG 169 . . F 3 54.996 53.268 0.773 1.00 18.87 ? N ARG 169 B 1 +ATOM 4108 C CA ARG 169 . . F 3 54.295 53.668 -0.445 1.00 15.33 ? CA ARG 169 B 1 +ATOM 4109 C C ARG 169 . . F 3 53.244 52.570 -0.811 1.00 17.77 ? C ARG 169 B 1 +ATOM 4110 O O ARG 169 . . F 3 52.151 52.828 -1.386 1.00 16.18 ? O ARG 169 B 1 +ATOM 4111 C CB ARG 169 . . F 3 55.295 53.852 -1.577 1.00 16.77 ? CB ARG 169 B 1 +ATOM 4112 C CG ARG 169 . . F 3 56.111 55.106 -1.384 1.00 29.63 ? CG ARG 169 B 1 +ATOM 4113 C CD ARG 169 . . F 3 57.513 54.870 -0.805 1.00 36.28 ? CD ARG 169 B 1 +ATOM 4114 N NE ARG 169 . . F 3 58.067 56.128 -0.303 1.00 41.15 ? NE ARG 169 B 1 +ATOM 4115 C CZ ARG 169 . . F 3 59.200 56.238 0.379 1.00 44.31 ? CZ ARG 169 B 1 +ATOM 4116 N NH1 ARG 169 . . F 3 59.920 55.159 0.635 1.00 44.6 ? NH1 ARG 169 B 1 +ATOM 4117 N NH2 ARG 169 . . F 3 59.588 57.419 0.850 1.00 43.74 ? NH2 ARG 169 B 1 +ATOM 4118 N N GLN 170 . . F 3 53.574 51.340 -0.424 1.00 12.48 ? N GLN 170 B 1 +ATOM 4119 C CA GLN 170 . . F 3 52.676 50.217 -0.597 1.00 13.36 ? CA GLN 170 B 1 +ATOM 4120 C C GLN 170 . . F 3 51.343 50.597 0.016 1.00 16.41 ? C GLN 170 B 1 +ATOM 4121 O O GLN 170 . . F 3 50.290 50.573 -0.660 1.00 29.23 ? O GLN 170 B 1 +ATOM 4122 C CB GLN 170 . . F 3 53.182 48.947 0.139 1.00 35.91 ? CB GLN 170 B 1 +ATOM 4123 C CG GLN 170 . . F 3 54.393 48.133 -0.400 1.00 43.72 ? CG GLN 170 B 1 +ATOM 4124 C CD GLN 170 . . F 3 54.011 47.032 -1.403 1.00 48.2 ? CD GLN 170 B 1 +ATOM 4125 O OE1 GLN 170 . . F 3 52.829 46.673 -1.560 1.00 46.41 ? OE1 GLN 170 B 1 +ATOM 4126 N NE2 GLN 170 . . F 3 55.022 46.490 -2.083 1.00 40.12 ? NE2 GLN 170 B 1 +ATOM 4127 N N GLU 171 . . F 3 51.400 50.979 1.297 1.00 8.46 ? N GLU 171 B 1 +ATOM 4128 C CA GLU 171 . . F 3 50.146 51.217 2.005 1.00 15.86 ? CA GLU 171 B 1 +ATOM 4129 C C GLU 171 . . F 3 49.494 52.503 1.589 1.00 13.8 ? C GLU 171 B 1 +ATOM 4130 O O GLU 171 . . F 3 48.265 52.550 1.483 1.00 13.97 ? O GLU 171 B 1 +ATOM 4131 C CB GLU 171 . . F 3 50.369 51.183 3.557 1.00 25.85 ? CB GLU 171 B 1 +ATOM 4132 C CG GLU 171 . . F 3 49.887 49.804 4.204 1.00 28.28 ? CG GLU 171 B 1 +ATOM 4133 C CD GLU 171 . . F 3 49.919 49.711 5.761 1.00 32.91 ? CD GLU 171 B 1 +ATOM 4134 O OE1 GLU 171 . . F 3 51.027 49.557 6.313 1.00 29.09 ? OE1 GLU 171 B 1 +ATOM 4135 O OE2 GLU 171 . . F 3 48.854 49.779 6.431 1.00 23.53 ? OE2 GLU 171 B 1 +ATOM 4136 N N ILE 172 . . F 3 50.261 53.551 1.341 1.00 12.08 ? N ILE 172 B 1 +ATOM 4137 C CA ILE 172 . . F 3 49.581 54.722 0.807 1.00 20.67 ? CA ILE 172 B 1 +ATOM 4138 C C ILE 172 . . F 3 48.809 54.228 -0.436 1.00 19.31 ? C ILE 172 B 1 +ATOM 4139 O O ILE 172 . . F 3 47.630 54.596 -0.614 1.00 15.43 ? O ILE 172 B 1 +ATOM 4140 C CB ILE 172 . . F 3 50.589 55.817 0.411 1.00 12.92 ? CB ILE 172 B 1 +ATOM 4141 C CG1 ILE 172 . . F 3 51.058 56.553 1.663 1.00 6 ? CG1 ILE 172 B 1 +ATOM 4142 C CG2 ILE 172 . . F 3 49.940 56.812 -0.497 1.00 6 ? CG2 ILE 172 B 1 +ATOM 4143 C CD1 ILE 172 . . F 3 52.449 57.085 1.423 1.00 8.92 ? CD1 ILE 172 B 1 +ATOM 4144 N N GLY 173 . . F 3 49.462 53.344 -1.213 1.00 11.07 ? N GLY 173 B 1 +ATOM 4145 C CA GLY 173 . . F 3 48.878 52.730 -2.393 1.00 9.77 ? CA GLY 173 B 1 +ATOM 4146 C C GLY 173 . . F 3 47.495 52.089 -2.152 1.00 12.47 ? C GLY 173 B 1 +ATOM 4147 O O GLY 173 . . F 3 46.672 52.043 -3.081 1.00 21.44 ? O GLY 173 B 1 +ATOM 4148 N N GLN 174 . . F 3 47.186 51.591 -0.954 1.00 8.06 ? N GLN 174 B 1 +ATOM 4149 C CA GLN 174 . . F 3 45.877 50.963 -0.764 1.00 6.47 ? CA GLN 174 B 1 +ATOM 4150 C C GLN 174 . . F 3 44.845 51.812 -0.097 1.00 9.09 ? C GLN 174 B 1 +ATOM 4151 O O GLN 174 . . F 3 43.764 51.343 0.153 1.00 20.74 ? O GLN 174 B 1 +ATOM 4152 C CB GLN 174 . . F 3 46.039 49.695 0.018 1.00 25.19 ? CB GLN 174 B 1 +ATOM 4153 C CG GLN 174 . . F 3 46.862 48.735 -0.771 1.00 35.9 ? CG GLN 174 B 1 +ATOM 4154 C CD GLN 174 . . F 3 47.447 47.651 0.075 1.00 39.18 ? CD GLN 174 B 1 +ATOM 4155 O OE1 GLN 174 . . F 3 47.793 47.877 1.241 1.00 42.67 ? OE1 GLN 174 B 1 +ATOM 4156 N NE2 GLN 174 . . F 3 47.576 46.461 -0.501 1.00 39.84 ? NE2 GLN 174 B 1 +ATOM 4157 N N ILE 175 . . F 3 45.187 53.061 0.190 1.00 22.9 ? N ILE 175 B 1 +ATOM 4158 C CA ILE 175 . . F 3 44.270 54.054 0.761 1.00 23.85 ? CA ILE 175 B 1 +ATOM 4159 C C ILE 175 . . F 3 43.796 54.894 -0.417 1.00 18.76 ? C ILE 175 B 1 +ATOM 4160 O O ILE 175 . . F 3 42.598 55.052 -0.649 1.00 21.28 ? O ILE 175 B 1 +ATOM 4161 C CB ILE 175 . . F 3 44.998 54.997 1.823 1.00 25.26 ? CB ILE 175 B 1 +ATOM 4162 C CG1 ILE 175 . . F 3 45.595 54.171 2.949 1.00 19.72 ? CG1 ILE 175 B 1 +ATOM 4163 C CG2 ILE 175 . . F 3 43.989 55.933 2.494 1.00 18.98 ? CG2 ILE 175 B 1 +ATOM 4164 C CD1 ILE 175 . . F 3 46.489 54.943 3.821 1.00 22.33 ? CD1 ILE 175 B 1 +ATOM 4165 N N VAL 176 . . F 3 44.777 55.441 -1.133 1.00 9.21 ? N VAL 176 B 1 +ATOM 4166 C CA VAL 176 . . F 3 44.559 56.259 -2.310 1.00 12.86 ? CA VAL 176 B 1 +ATOM 4167 C C VAL 176 . . F 3 44.077 55.399 -3.489 1.00 18.75 ? C VAL 176 B 1 +ATOM 4168 O O VAL 176 . . F 3 43.288 55.872 -4.328 1.00 28.75 ? O VAL 176 B 1 +ATOM 4169 C CB VAL 176 . . F 3 45.888 57.017 -2.672 1.00 26.09 ? CB VAL 176 B 1 +ATOM 4170 C CG1 VAL 176 . . F 3 45.826 57.599 -4.060 1.00 33.4 ? CG1 VAL 176 B 1 +ATOM 4171 C CG2 VAL 176 . . F 3 46.070 58.211 -1.734 1.00 28.55 ? CG2 VAL 176 B 1 +ATOM 4172 N N GLY 177 . . F 3 44.532 54.150 -3.573 1.00 21.8 ? N GLY 177 B 1 +ATOM 4173 C CA GLY 177 . . F 3 44.062 53.269 -4.640 1.00 20.39 ? CA GLY 177 B 1 +ATOM 4174 C C GLY 177 . . F 3 44.802 53.414 -5.959 1.00 24.52 ? C GLY 177 B 1 +ATOM 4175 O O GLY 177 . . F 3 44.238 53.710 -7.033 1.00 28.43 ? O GLY 177 B 1 +ATOM 4176 N N CYS 178 . . F 3 46.100 53.196 -5.876 1.00 17.13 ? N CYS 178 B 1 +ATOM 4177 C CA CYS 178 . . F 3 46.941 53.247 -7.025 1.00 21.82 ? CA CYS 178 B 1 +ATOM 4178 C C CYS 178 . . F 3 48.079 52.322 -6.611 1.00 25.7 ? C CYS 178 B 1 +ATOM 4179 O O CYS 178 . . F 3 47.865 51.536 -5.692 1.00 31.95 ? O CYS 178 B 1 +ATOM 4180 C CB CYS 178 . . F 3 47.374 54.700 -7.257 1.00 20.48 ? CB CYS 178 B 1 +ATOM 4181 S SG CYS 178 . . F 3 48.599 55.276 -6.141 1.00 16.84 ? SG CYS 178 B 1 +ATOM 4182 N N SER 179 . . F 3 49.274 52.375 -7.183 1.00 31.13 ? N SER 179 B 1 +ATOM 4183 C CA SER 179 . . F 3 50.249 51.371 -6.769 1.00 30.74 ? CA SER 179 B 1 +ATOM 4184 C C SER 179 . . F 3 51.648 51.912 -6.408 1.00 31.06 ? C SER 179 B 1 +ATOM 4185 O O SER 179 . . F 3 52.104 52.909 -6.958 1.00 33.3 ? O SER 179 B 1 +ATOM 4186 C CB SER 179 . . F 3 50.335 50.352 -7.888 1.00 21.67 ? CB SER 179 B 1 +ATOM 4187 O OG SER 179 . . F 3 50.587 51.073 -9.080 1.00 22.31 ? OG SER 179 B 1 +ATOM 4188 N N ARG 180 . . F 3 52.311 51.200 -5.485 1.00 21.65 ? N ARG 180 B 1 +ATOM 4189 C CA ARG 180 . . F 3 53.624 51.517 -4.925 1.00 18.58 ? CA ARG 180 B 1 +ATOM 4190 C C ARG 180 . . F 3 54.494 52.367 -5.803 1.00 19.51 ? C ARG 180 B 1 +ATOM 4191 O O ARG 180 . . F 3 55.089 53.320 -5.305 1.00 26.75 ? O ARG 180 B 1 +ATOM 4192 C CB ARG 180 . . F 3 54.391 50.229 -4.595 1.00 25.48 ? CB ARG 180 B 1 +ATOM 4193 C CG ARG 180 . . F 3 55.896 50.358 -4.189 1.00 25.36 ? CG ARG 180 B 1 +ATOM 4194 C CD ARG 180 . . F 3 56.785 49.704 -5.263 1.00 28.95 ? CD ARG 180 B 1 +ATOM 4195 N NE ARG 180 . . F 3 56.224 48.398 -5.644 1.00 31.11 ? NE ARG 180 B 1 +ATOM 4196 C CZ ARG 180 . . F 3 56.695 47.602 -6.603 1.00 36.39 ? CZ ARG 180 B 1 +ATOM 4197 N NH1 ARG 180 . . F 3 57.763 47.956 -7.321 1.00 34.17 ? NH1 ARG 180 B 1 +ATOM 4198 N NH2 ARG 180 . . F 3 56.097 46.437 -6.831 1.00 26.47 ? NH2 ARG 180 B 1 +ATOM 4199 N N GLU 181 . . F 3 54.588 52.048 -7.091 1.00 27.47 ? N GLU 181 B 1 +ATOM 4200 C CA GLU 181 . . F 3 55.482 52.837 -7.896 1.00 30.69 ? CA GLU 181 B 1 +ATOM 4201 C C GLU 181 . . F 3 54.861 54.168 -8.350 1.00 33.28 ? C GLU 181 B 1 +ATOM 4202 O O GLU 181 . . F 3 55.584 55.175 -8.400 1.00 36.38 ? O GLU 181 B 1 +ATOM 4203 C CB GLU 181 . . F 3 55.959 51.984 -9.092 1.00 33 ? CB GLU 181 B 1 +ATOM 4204 C CG GLU 181 . . F 3 54.976 51.468 -10.089 1.00 37.12 ? CG GLU 181 B 1 +ATOM 4205 C CD GLU 181 . . F 3 54.299 50.183 -9.675 1.00 41.4 ? CD GLU 181 B 1 +ATOM 4206 O OE1 GLU 181 . . F 3 54.664 49.109 -10.213 1.00 44.2 ? OE1 GLU 181 B 1 +ATOM 4207 O OE2 GLU 181 . . F 3 53.381 50.262 -8.835 1.00 40.74 ? OE2 GLU 181 B 1 +ATOM 4208 N N THR 182 . . F 3 53.557 54.207 -8.658 1.00 30.41 ? N THR 182 B 1 +ATOM 4209 C CA THR 182 . . F 3 52.921 55.478 -9.041 1.00 32.58 ? CA THR 182 B 1 +ATOM 4210 C C THR 182 . . F 3 52.899 56.320 -7.775 1.00 34.76 ? C THR 182 B 1 +ATOM 4211 O O THR 182 . . F 3 53.149 57.522 -7.789 1.00 33.62 ? O THR 182 B 1 +ATOM 4212 C CB THR 182 . . F 3 51.432 55.359 -9.514 1.00 32.86 ? CB THR 182 B 1 +ATOM 4213 O OG1 THR 182 . . F 3 51.059 53.995 -9.756 1.00 35.48 ? OG1 THR 182 B 1 +ATOM 4214 C CG2 THR 182 . . F 3 51.263 56.138 -10.807 1.00 35.28 ? CG2 THR 182 B 1 +ATOM 4215 N N VAL 183 . . F 3 52.569 55.666 -6.669 1.00 41.32 ? N VAL 183 B 1 +ATOM 4216 C CA VAL 183 . . F 3 52.654 56.328 -5.382 1.00 43.36 ? CA VAL 183 B 1 +ATOM 4217 C C VAL 183 . . F 3 54.082 56.882 -5.294 1.00 39.2 ? C VAL 183 B 1 +ATOM 4218 O O VAL 183 . . F 3 54.313 57.985 -4.802 1.00 41.26 ? O VAL 183 B 1 +ATOM 4219 C CB VAL 183 . . F 3 52.445 55.343 -4.219 1.00 43.44 ? CB VAL 183 B 1 +ATOM 4220 C CG1 VAL 183 . . F 3 52.669 56.085 -2.891 1.00 41.92 ? CG1 VAL 183 B 1 +ATOM 4221 C CG2 VAL 183 . . F 3 51.043 54.732 -4.303 1.00 33.99 ? CG2 VAL 183 B 1 +ATOM 4222 N N GLY 184 . . F 3 55.011 56.073 -5.800 1.00 27.28 ? N GLY 184 B 1 +ATOM 4223 C CA GLY 184 . . F 3 56.416 56.413 -5.845 1.00 25.5 ? CA GLY 184 B 1 +ATOM 4224 C C GLY 184 . . F 3 56.670 57.720 -6.566 1.00 31.25 ? C GLY 184 B 1 +ATOM 4225 O O GLY 184 . . F 3 56.583 58.783 -5.962 1.00 34.83 ? O GLY 184 B 1 +ATOM 4226 N N ARG 185 . . F 3 56.953 57.667 -7.858 1.00 34.77 ? N ARG 185 B 1 +ATOM 4227 C CA ARG 185 . . F 3 57.264 58.879 -8.613 1.00 36.7 ? CA ARG 185 B 1 +ATOM 4228 C C ARG 185 . . F 3 56.417 60.106 -8.243 1.00 35.62 ? C ARG 185 B 1 +ATOM 4229 O O ARG 185 . . F 3 56.922 61.227 -8.269 1.00 34.08 ? O ARG 185 B 1 +ATOM 4230 C CB ARG 185 . . F 3 57.136 58.558 -10.107 1.00 36.55 ? CB ARG 185 B 1 +ATOM 4231 C CG ARG 185 . . F 3 55.874 57.841 -10.518 1.00 35 ? CG ARG 185 B 1 +ATOM 4232 C CD ARG 185 . . F 3 56.056 57.178 -11.868 1.00 39.34 ? CD ARG 185 B 1 +ATOM 4233 N NE ARG 185 . . F 3 54.815 56.566 -12.324 1.00 40.91 ? NE ARG 185 B 1 +ATOM 4234 C CZ ARG 185 . . F 3 54.744 55.464 -13.065 1.00 37.15 ? CZ ARG 185 B 1 +ATOM 4235 N NH1 ARG 185 . . F 3 55.856 54.831 -13.444 1.00 32.13 ? NH1 ARG 185 B 1 +ATOM 4236 N NH2 ARG 185 . . F 3 53.546 55.006 -13.425 1.00 29.06 ? NH2 ARG 185 B 1 +ATOM 4237 N N ILE 186 . . F 3 55.159 59.922 -7.867 1.00 38.86 ? N ILE 186 B 1 +ATOM 4238 C CA ILE 186 . . F 3 54.361 61.075 -7.451 1.00 40.99 ? CA ILE 186 B 1 +ATOM 4239 C C ILE 186 . . F 3 54.889 61.692 -6.119 1.00 41.95 ? C ILE 186 B 1 +ATOM 4240 O O ILE 186 . . F 3 55.185 62.886 -6.071 1.00 42.2 ? O ILE 186 B 1 +ATOM 4241 C CB ILE 186 . . F 3 52.847 60.682 -7.244 1.00 47.45 ? CB ILE 186 B 1 +ATOM 4242 C CG1 ILE 186 . . F 3 52.233 60.168 -8.561 1.00 40.4 ? CG1 ILE 186 B 1 +ATOM 4243 C CG2 ILE 186 . . F 3 52.073 61.903 -6.740 1.00 49.6 ? CG2 ILE 186 B 1 +ATOM 4244 C CD1 ILE 186 . . F 3 52.207 61.141 -9.731 1.00 47.64 ? CD1 ILE 186 B 1 +ATOM 4245 N N LEU 187 . . F 3 55.038 60.882 -5.065 1.00 38.26 ? N LEU 187 B 1 +ATOM 4246 C CA LEU 187 . . F 3 55.463 61.351 -3.730 1.00 37.04 ? CA LEU 187 B 1 +ATOM 4247 C C LEU 187 . . F 3 56.674 62.264 -3.852 1.00 36.26 ? C LEU 187 B 1 +ATOM 4248 O O LEU 187 . . F 3 56.738 63.355 -3.270 1.00 32.95 ? O LEU 187 B 1 +ATOM 4249 C CB LEU 187 . . F 3 55.833 60.151 -2.819 1.00 31.61 ? CB LEU 187 B 1 +ATOM 4250 C CG LEU 187 . . F 3 56.004 60.245 -1.292 1.00 24.23 ? CG LEU 187 B 1 +ATOM 4251 C CD1 LEU 187 . . F 3 54.754 59.812 -0.610 1.00 18.62 ? CD1 LEU 187 B 1 +ATOM 4252 C CD2 LEU 187 . . F 3 57.038 59.274 -0.814 1.00 29.55 ? CD2 LEU 187 B 1 +ATOM 4253 N N LYS 188 . . F 3 57.635 61.779 -4.625 1.00 35.43 ? N LYS 188 B 1 +ATOM 4254 C CA LYS 188 . . F 3 58.869 62.496 -4.868 1.00 41.66 ? CA LYS 188 B 1 +ATOM 4255 C C LYS 188 . . F 3 58.475 63.858 -5.447 1.00 40.97 ? C LYS 188 B 1 +ATOM 4256 O O LYS 188 . . F 3 58.894 64.879 -4.910 1.00 37.09 ? O LYS 188 B 1 +ATOM 4257 C CB LYS 188 . . F 3 59.744 61.702 -5.867 1.00 43.86 ? CB LYS 188 B 1 +ATOM 4258 C CG LYS 188 . . F 3 61.249 62.046 -5.919 1.00 40.33 ? CG LYS 188 B 1 +ATOM 4259 C CD LYS 188 . . F 3 62.052 61.308 -4.862 1.00 37.47 ? CD LYS 188 B 1 +ATOM 4260 C CE LYS 188 . . F 3 61.807 59.787 -4.998 1.00 47.66 ? CE LYS 188 B 1 +ATOM 4261 N NZ LYS 188 . . F 3 61.869 59.230 -6.412 1.00 36.95 ? NZ LYS 188 B 1 +ATOM 4262 N N MET 189 . . F 3 57.638 63.877 -6.492 1.00 40.16 ? N MET 189 B 1 +ATOM 4263 C CA MET 189 . . F 3 57.172 65.124 -7.106 1.00 38.35 ? CA MET 189 B 1 +ATOM 4264 C C MET 189 . . F 3 56.513 66.071 -6.091 1.00 39.66 ? C MET 189 B 1 +ATOM 4265 O O MET 189 . . F 3 55.956 67.104 -6.468 1.00 43.9 ? O MET 189 B 1 +ATOM 4266 C CB MET 189 . . F 3 56.161 64.831 -8.198 1.00 43.69 ? CB MET 189 B 1 +ATOM 4267 C CG MET 189 . . F 3 56.691 63.989 -9.317 1.00 43.93 ? CG MET 189 B 1 +ATOM 4268 S SD MET 189 . . F 3 55.268 63.547 -10.339 1.00 51.99 ? SD MET 189 B 1 +ATOM 4269 C CE MET 189 . . F 3 56.100 63.229 -11.881 1.00 46.57 ? CE MET 189 B 1 +ATOM 4270 N N LEU 190 . . F 3 56.539 65.681 -4.819 1.00 38.63 ? N LEU 190 B 1 +ATOM 4271 C CA LEU 190 . . F 3 56.041 66.456 -3.700 1.00 34.94 ? CA LEU 190 B 1 +ATOM 4272 C C LEU 190 . . F 3 57.226 66.995 -2.959 1.00 33.73 ? C LEU 190 B 1 +ATOM 4273 O O LEU 190 . . F 3 57.230 68.144 -2.554 1.00 31.32 ? O LEU 190 B 1 +ATOM 4274 C CB LEU 190 . . F 3 55.235 65.581 -2.770 1.00 32.64 ? CB LEU 190 B 1 +ATOM 4275 C CG LEU 190 . . F 3 54.063 65.045 -3.569 1.00 35.13 ? CG LEU 190 B 1 +ATOM 4276 C CD1 LEU 190 . . F 3 53.464 63.856 -2.901 1.00 33.11 ? CD1 LEU 190 B 1 +ATOM 4277 C CD2 LEU 190 . . F 3 53.072 66.154 -3.731 1.00 27.12 ? CD2 LEU 190 B 1 +ATOM 4278 N N GLU 191 . . F 3 58.217 66.136 -2.755 1.00 38.97 ? N GLU 191 B 1 +ATOM 4279 C CA GLU 191 . . F 3 59.443 66.529 -2.076 1.00 45.76 ? CA GLU 191 B 1 +ATOM 4280 C C GLU 191 . . F 3 60.012 67.655 -2.931 1.00 48.67 ? C GLU 191 B 1 +ATOM 4281 O O GLU 191 . . F 3 60.276 68.753 -2.437 1.00 49.59 ? O GLU 191 B 1 +ATOM 4282 C CB GLU 191 . . F 3 60.431 65.318 -1.992 1.00 50.13 ? CB GLU 191 B 1 +ATOM 4283 C CG GLU 191 . . F 3 61.186 65.114 -0.604 1.00 53.77 ? CG GLU 191 B 1 +ATOM 4284 C CD GLU 191 . . F 3 62.091 63.835 -0.466 1.00 54.77 ? CD GLU 191 B 1 +ATOM 4285 O OE1 GLU 191 . . F 3 63.248 63.964 0.016 1.00 46.67 ? OE1 GLU 191 B 1 +ATOM 4286 O OE2 GLU 191 . . F 3 61.648 62.703 -0.811 1.00 55 ? OE2 GLU 191 B 1 +ATOM 4287 N N ASP 192 . . F 3 60.153 67.379 -4.231 1.00 50.03 ? N ASP 192 B 1 +ATOM 4288 C CA ASP 192 . . F 3 60.635 68.362 -5.212 1.00 47.15 ? CA ASP 192 B 1 +ATOM 4289 C C ASP 192 . . F 3 59.772 69.611 -5.031 1.00 47.27 ? C ASP 192 B 1 +ATOM 4290 O O ASP 192 . . F 3 60.178 70.615 -4.428 1.00 38.77 ? O ASP 192 B 1 +ATOM 4291 C CB ASP 192 . . F 3 60.471 67.809 -6.650 1.00 38.43 ? CB ASP 192 B 1 +ATOM 4292 C CG ASP 192 . . F 3 61.761 67.826 -7.448 1.00 38.49 ? CG ASP 192 B 1 +ATOM 4293 O OD1 ASP 192 . . F 3 61.719 67.575 -8.669 1.00 43.61 ? OD1 ASP 192 B 1 +ATOM 4294 O OD2 ASP 192 . . F 3 62.828 68.080 -6.851 1.00 52.1 ? OD2 ASP 192 B 1 +ATOM 4295 N N GLN 193 . . F 3 58.535 69.493 -5.502 1.00 46.12 ? N GLN 193 B 1 +ATOM 4296 C CA GLN 193 . . F 3 57.569 70.559 -5.404 1.00 40.91 ? CA GLN 193 B 1 +ATOM 4297 C C GLN 193 . . F 3 57.729 71.210 -4.028 1.00 41.74 ? C GLN 193 B 1 +ATOM 4298 O O GLN 193 . . F 3 57.405 72.373 -3.851 1.00 48.75 ? O GLN 193 B 1 +ATOM 4299 C CB GLN 193 . . F 3 56.195 69.958 -5.602 1.00 48.51 ? CB GLN 193 B 1 +ATOM 4300 C CG GLN 193 . . F 3 55.114 70.958 -5.956 1.00 55 ? CG GLN 193 B 1 +ATOM 4301 C CD GLN 193 . . F 3 53.752 70.303 -5.981 1.00 55 ? CD GLN 193 B 1 +ATOM 4302 O OE1 GLN 193 . . F 3 52.772 70.876 -6.472 1.00 55 ? OE1 GLN 193 B 1 +ATOM 4303 N NE2 GLN 193 . . F 3 53.684 69.081 -5.450 1.00 55 ? NE2 GLN 193 B 1 +ATOM 4304 N N ASN 194 . . F 3 58.198 70.418 -3.059 1.00 43.98 ? N ASN 194 B 1 +ATOM 4305 C CA ASN 194 . . F 3 58.579 70.871 -1.718 1.00 47.59 ? CA ASN 194 B 1 +ATOM 4306 C C ASN 194 . . F 3 57.457 70.854 -0.669 1.00 47.71 ? C ASN 194 B 1 +ATOM 4307 O O ASN 194 . . F 3 57.616 71.614 0.287 1.00 54.83 ? O ASN 194 B 1 +ATOM 4308 C CB ASN 194 . . F 3 59.143 72.282 -1.774 1.00 50.86 ? CB ASN 194 B 1 +ATOM 4309 C CG ASN 194 . . F 3 60.604 72.282 -2.039 1.00 55 ? CG ASN 194 B 1 +ATOM 4310 O OD1 ASN 194 . . F 3 61.114 72.928 -2.971 1.00 55 ? OD1 ASN 194 B 1 +ATOM 4311 N ND2 ASN 194 . . F 3 61.313 71.540 -1.198 1.00 51.89 ? ND2 ASN 194 B 1 +ATOM 4312 N N LEU 195 . . F 3 56.366 70.091 -0.707 1.00 49.01 ? N LEU 195 B 1 +ATOM 4313 C CA LEU 195 . . F 3 55.512 70.215 0.484 1.00 48.13 ? CA LEU 195 B 1 +ATOM 4314 C C LEU 195 . . F 3 55.727 69.072 1.525 1.00 48.85 ? C LEU 195 B 1 +ATOM 4315 O O LEU 195 . . F 3 55.096 69.051 2.584 1.00 47.31 ? O LEU 195 B 1 +ATOM 4316 C CB LEU 195 . . F 3 54.031 70.276 0.061 1.00 46.71 ? CB LEU 195 B 1 +ATOM 4317 C CG LEU 195 . . F 3 53.349 69.173 -0.748 1.00 50.73 ? CG LEU 195 B 1 +ATOM 4318 C CD1 LEU 195 . . F 3 53.373 67.801 -0.054 1.00 55 ? CD1 LEU 195 B 1 +ATOM 4319 C CD2 LEU 195 . . F 3 51.904 69.609 -0.895 1.00 46.79 ? CD2 LEU 195 B 1 +ATOM 4320 N N ILE 196 . . F 3 56.634 68.141 1.229 1.00 49.61 ? N ILE 196 B 1 +ATOM 4321 C CA ILE 196 . . F 3 56.953 67.025 2.135 1.00 47.78 ? CA ILE 196 B 1 +ATOM 4322 C C ILE 196 . . F 3 58.400 66.625 1.910 1.00 49.78 ? C ILE 196 B 1 +ATOM 4323 O O ILE 196 . . F 3 58.986 67.026 0.917 1.00 43.69 ? O ILE 196 B 1 +ATOM 4324 C CB ILE 196 . . F 3 56.091 65.742 1.865 1.00 46.51 ? CB ILE 196 B 1 +ATOM 4325 C CG1 ILE 196 . . F 3 56.503 64.616 2.822 1.00 41.92 ? CG1 ILE 196 B 1 +ATOM 4326 C CG2 ILE 196 . . F 3 56.347 65.223 0.446 1.00 43.91 ? CG2 ILE 196 B 1 +ATOM 4327 C CD1 ILE 196 . . F 3 55.802 63.289 2.591 1.00 33.72 ? CD1 ILE 196 B 1 +ATOM 4328 N N SER 197 . . F 3 58.957 65.851 2.837 1.00 48.99 ? N SER 197 B 1 +ATOM 4329 C CA SER 197 . . F 3 60.305 65.270 2.742 1.00 48.63 ? CA SER 197 B 1 +ATOM 4330 C C SER 197 . . F 3 60.117 63.795 3.174 1.00 49.79 ? C SER 197 B 1 +ATOM 4331 O O SER 197 . . F 3 59.284 63.550 4.059 1.00 53.36 ? O SER 197 B 1 +ATOM 4332 C CB SER 197 . . F 3 61.279 66.010 3.697 1.00 50.39 ? CB SER 197 B 1 +ATOM 4333 O OG SER 197 . . F 3 61.608 67.334 3.256 1.00 48.61 ? OG SER 197 B 1 +ATOM 4334 N N ALA 198 . . F 3 60.828 62.825 2.575 1.00 43.28 ? N ALA 198 B 1 +ATOM 4335 C CA ALA 198 . . F 3 60.637 61.415 2.956 1.00 39.32 ? CA ALA 198 B 1 +ATOM 4336 C C ALA 198 . . F 3 61.842 60.507 2.692 1.00 43.21 ? C ALA 198 B 1 +ATOM 4337 O O ALA 198 . . F 3 62.731 60.797 1.869 1.00 40.26 ? O ALA 198 B 1 +ATOM 4338 C CB ALA 198 . . F 3 59.431 60.851 2.225 1.00 29.81 ? CB ALA 198 B 1 +ATOM 4339 N N HIS 199 . . F 3 61.817 59.379 3.408 1.00 49.57 ? N HIS 199 B 1 +ATOM 4340 C CA HIS 199 . . F 3 62.865 58.335 3.442 1.00 49.87 ? CA HIS 199 B 1 +ATOM 4341 C C HIS 199 . . F 3 62.328 57.303 4.517 1.00 46.31 ? C HIS 199 B 1 +ATOM 4342 O O HIS 199 . . F 3 62.615 57.443 5.725 1.00 47.21 ? O HIS 199 B 1 +ATOM 4343 C CB HIS 199 . . F 3 64.201 59.055 3.858 1.00 49.82 ? CB HIS 199 B 1 +ATOM 4344 C CG HIS 199 . . F 3 65.492 58.280 3.690 1.00 49.46 ? CG HIS 199 B 1 +ATOM 4345 N ND1 HIS 199 . . F 3 66.223 57.792 4.761 1.00 47.28 ? ND1 HIS 199 B 1 +ATOM 4346 C CD2 HIS 199 . . F 3 66.227 57.991 2.586 1.00 49.96 ? CD2 HIS 199 B 1 +ATOM 4347 C CE1 HIS 199 . . F 3 67.346 57.247 4.328 1.00 42.58 ? CE1 HIS 199 B 1 +ATOM 4348 N NE2 HIS 199 . . F 3 67.374 57.355 3.010 1.00 43.95 ? NE2 HIS 199 B 1 +ATOM 4349 N N GLY 200 . . F 3 61.501 56.333 4.075 1.00 40.1 ? N GLY 200 B 1 +ATOM 4350 C CA GLY 200 . . F 3 60.906 55.308 4.941 1.00 27.33 ? CA GLY 200 B 1 +ATOM 4351 C C GLY 200 . . F 3 59.804 55.903 5.808 1.00 34.99 ? C GLY 200 B 1 +ATOM 4352 O O GLY 200 . . F 3 58.694 55.374 5.952 1.00 36.63 ? O GLY 200 B 1 +ATOM 4353 N N LYS 201 . . F 3 60.166 56.999 6.460 1.00 42.07 ? N LYS 201 B 1 +ATOM 4354 C CA LYS 201 . . F 3 59.255 57.809 7.245 1.00 44.42 ? CA LYS 201 B 1 +ATOM 4355 C C LYS 201 . . F 3 58.840 58.965 6.324 1.00 44.63 ? C LYS 201 B 1 +ATOM 4356 O O LYS 201 . . F 3 59.532 59.247 5.341 1.00 49.47 ? O LYS 201 B 1 +ATOM 4357 C CB LYS 201 . . F 3 59.985 58.344 8.479 1.00 48.26 ? CB LYS 201 B 1 +ATOM 4358 C CG LYS 201 . . F 3 61.251 59.136 8.167 1.00 46.18 ? CG LYS 201 B 1 +ATOM 4359 C CD LYS 201 . . F 3 61.700 59.966 9.380 1.00 50.97 ? CD LYS 201 B 1 +ATOM 4360 C CE LYS 201 . . F 3 62.794 60.968 8.965 1.00 55 ? CE LYS 201 B 1 +ATOM 4361 N NZ LYS 201 . . F 3 63.147 62.022 9.974 1.00 46.95 ? NZ LYS 201 B 1 +ATOM 4362 N N THR 202 . . F 3 57.756 59.658 6.623 1.00 42.59 ? N THR 202 B 1 +ATOM 4363 C CA THR 202 . . F 3 57.340 60.779 5.784 1.00 45.69 ? CA THR 202 B 1 +ATOM 4364 C C THR 202 . . F 3 57.162 62.028 6.632 1.00 45.33 ? C THR 202 B 1 +ATOM 4365 O O THR 202 . . F 3 56.354 62.056 7.567 1.00 48.13 ? O THR 202 B 1 +ATOM 4366 C CB THR 202 . . F 3 56.002 60.461 5.045 1.00 45.9 ? CB THR 202 B 1 +ATOM 4367 O OG1 THR 202 . . F 3 55.101 59.797 5.945 1.00 47.06 ? OG1 THR 202 B 1 +ATOM 4368 C CG2 THR 202 . . F 3 56.269 59.591 3.815 1.00 45.47 ? CG2 THR 202 B 1 +ATOM 4369 N N ILE 203 . . F 3 57.964 63.045 6.337 1.00 38.83 ? N ILE 203 B 1 +ATOM 4370 C CA ILE 203 . . F 3 57.878 64.274 7.088 1.00 34.33 ? CA ILE 203 B 1 +ATOM 4371 C C ILE 203 . . F 3 57.026 65.299 6.378 1.00 36.07 ? C ILE 203 B 1 +ATOM 4372 O O ILE 203 . . F 3 57.440 65.905 5.369 1.00 30.72 ? O ILE 203 B 1 +ATOM 4373 C CB ILE 203 . . F 3 59.219 64.928 7.304 1.00 39.32 ? CB ILE 203 B 1 +ATOM 4374 C CG1 ILE 203 . . F 3 60.180 63.980 8.028 1.00 39.91 ? CG1 ILE 203 B 1 +ATOM 4375 C CG2 ILE 203 . . F 3 58.985 66.201 8.105 1.00 37.86 ? CG2 ILE 203 B 1 +ATOM 4376 C CD1 ILE 203 . . F 3 60.711 62.811 7.197 1.00 35.03 ? CD1 ILE 203 B 1 +ATOM 4377 N N VAL 204 . . F 3 55.822 65.479 6.898 1.00 36.43 ? N VAL 204 B 1 +ATOM 4378 C CA VAL 204 . . F 3 54.939 66.465 6.325 1.00 44.34 ? CA VAL 204 B 1 +ATOM 4379 C C VAL 204 . . F 3 55.540 67.795 6.706 1.00 47.25 ? C VAL 204 B 1 +ATOM 4380 O O VAL 204 . . F 3 56.210 67.871 7.742 1.00 53.56 ? O VAL 204 B 1 +ATOM 4381 C CB VAL 204 . . F 3 53.520 66.440 6.924 1.00 47.34 ? CB VAL 204 B 1 +ATOM 4382 C CG1 VAL 204 . . F 3 53.528 67.148 8.292 1.00 38.4 ? CG1 VAL 204 B 1 +ATOM 4383 C CG2 VAL 204 . . F 3 52.546 67.137 5.979 1.00 48.02 ? CG2 VAL 204 B 1 +ATOM 4384 N N VAL 205 . . F 3 55.358 68.816 5.878 1.00 45.13 ? N VAL 205 B 1 +ATOM 4385 C CA VAL 205 . . F 3 55.792 70.158 6.279 1.00 44.73 ? CA VAL 205 B 1 +ATOM 4386 C C VAL 205 . . F 3 54.468 70.987 6.231 1.00 44.05 ? C VAL 205 B 1 +ATOM 4387 O O VAL 205 . . F 3 53.372 70.375 6.486 1.00 31.19 ? O VAL 205 B 1 +ATOM 4388 C CB VAL 205 . . F 3 56.902 70.804 5.278 1.00 33.7 ? CB VAL 205 B 1 +ATOM 4389 C CG1 VAL 205 . . F 3 57.437 72.095 5.886 1.00 36.67 ? CG1 VAL 205 B 1 +ATOM 4390 C CG2 VAL 205 . . F 3 58.117 69.915 5.115 1.00 27.64 ? CG2 VAL 205 B 1 +HETATM 4391 P P CMP . . . G 4 23.446 66.059 7.025 1.00 21.21 ? P CMP 762 A 1 +HETATM 4392 O O1P CMP . . . G 4 24.861 65.799 6.725 1.00 16.95 ? O1P CMP 762 A 1 +HETATM 4393 O O2P CMP . . . G 4 23.112 66.994 8.149 1.00 26.22 ? O2P CMP 762 A 1 +HETATM 4394 O "O5'" CMP . . . G 4 22.849 66.716 5.697 1.00 26.51 ? "O5'" CMP 762 A 1 +HETATM 4395 C "C5'" CMP . . . G 4 22.696 65.967 4.459 1.00 24.11 ? "C5'" CMP 762 A 1 +HETATM 4396 C "C4'" CMP . . . G 4 22.122 64.593 4.720 1.00 19.73 ? "C4'" CMP 762 A 1 +HETATM 4397 O "O4'" CMP . . . G 4 22.430 63.679 3.642 1.00 19.87 ? "O4'" CMP 762 A 1 +HETATM 4398 C "C3'" CMP . . . G 4 22.777 63.849 5.855 1.00 23.16 ? "C3'" CMP 762 A 1 +HETATM 4399 O "O3'" CMP . . . G 4 22.698 64.643 7.044 1.00 16.35 ? "O3'" CMP 762 A 1 +HETATM 4400 C "C2'" CMP . . . G 4 22.150 62.475 5.657 1.00 15.69 ? "C2'" CMP 762 A 1 +HETATM 4401 C "C1'" CMP . . . G 4 22.386 62.324 4.137 1.00 24.39 ? "C1'" CMP 762 A 1 +HETATM 4402 N N9 CMP . . . G 4 23.619 61.624 3.714 1.00 12.64 ? N9 CMP 762 A 1 +HETATM 4403 C C8 CMP . . . G 4 24.903 62.073 3.841 1.00 22.17 ? C8 CMP 762 A 1 +HETATM 4404 N N7 CMP . . . G 4 25.821 61.231 3.387 1.00 20.71 ? N7 CMP 762 A 1 +HETATM 4405 C C5 CMP . . . G 4 25.086 60.156 2.920 1.00 13.01 ? C5 CMP 762 A 1 +HETATM 4406 C C6 CMP . . . G 4 25.475 58.919 2.309 1.00 14.58 ? C6 CMP 762 A 1 +HETATM 4407 N N6 CMP . . . G 4 26.765 58.591 1.967 1.00 12.19 ? N6 CMP 762 A 1 +HETATM 4408 N N1 CMP . . . G 4 24.497 58.040 2.025 1.00 9.86 ? N1 CMP 762 A 1 +HETATM 4409 C C2 CMP . . . G 4 23.221 58.389 2.273 1.00 10.47 ? C2 CMP 762 A 1 +HETATM 4410 N N3 CMP . . . G 4 22.727 59.528 2.798 1.00 18.21 ? N3 CMP 762 A 1 +HETATM 4411 C C4 CMP . . . G 4 23.721 60.378 3.112 1.00 15.89 ? C4 CMP 762 A 1 +HETATM 4412 P P CMP . . . H 4 30.868 44.322 10.111 1.00 22.81 ? P CMP 761 B 1 +HETATM 4413 O O1P CMP . . . H 4 30.249 44.780 8.824 1.00 17.93 ? O1P CMP 761 B 1 +HETATM 4414 O O2P CMP . . . H 4 30.231 43.185 10.844 1.00 18.79 ? O2P CMP 761 B 1 +HETATM 4415 O "O5'" CMP . . . H 4 32.366 43.895 9.809 1.00 13.33 ? "O5'" CMP 761 B 1 +HETATM 4416 C "C5'" CMP . . . H 4 33.274 44.800 9.251 1.00 17.27 ? "C5'" CMP 761 B 1 +HETATM 4417 C "C4'" CMP . . . H 4 33.284 46.017 10.078 1.00 16.92 ? "C4'" CMP 761 B 1 +HETATM 4418 O "O4'" CMP . . . H 4 34.091 47.063 9.520 1.00 19.03 ? "O4'" CMP 761 B 1 +HETATM 4419 C "C3'" CMP . . . H 4 31.951 46.686 10.283 1.00 16.47 ? "C3'" CMP 761 B 1 +HETATM 4420 O "O3'" CMP . . . H 4 31.094 45.720 10.901 1.00 15.14 ? "O3'" CMP 761 B 1 +HETATM 4421 C "C2'" CMP . . . H 4 32.444 47.944 10.985 1.00 12.11 ? "C2'" CMP 761 B 1 +HETATM 4422 C "C1'" CMP . . . H 4 33.587 48.307 10.004 1.00 20.63 ? "C1'" CMP 761 B 1 +HETATM 4423 N N9 CMP . . . H 4 33.317 49.131 8.805 1.00 18.49 ? N9 CMP 761 B 1 +HETATM 4424 C C8 CMP . . . H 4 32.660 48.826 7.627 1.00 19.25 ? C8 CMP 761 B 1 +HETATM 4425 N N7 CMP . . . H 4 32.732 49.773 6.710 1.00 15.3 ? N7 CMP 761 B 1 +HETATM 4426 C C5 CMP . . . H 4 33.450 50.775 7.339 1.00 22.11 ? C5 CMP 761 B 1 +HETATM 4427 C C6 CMP . . . H 4 33.878 52.048 6.920 1.00 19.56 ? C6 CMP 761 B 1 +HETATM 4428 N N6 CMP . . . H 4 33.651 52.576 5.730 1.00 29.04 ? N6 CMP 761 B 1 +HETATM 4429 N N1 CMP . . . H 4 34.576 52.780 7.802 1.00 25.11 ? N1 CMP 761 B 1 +HETATM 4430 C C2 CMP . . . H 4 34.827 52.273 9.053 1.00 22.25 ? C2 CMP 761 B 1 +HETATM 4431 N N3 CMP . . . H 4 34.479 51.128 9.560 1.00 7.44 ? N3 CMP 761 B 1 +HETATM 4432 C C4 CMP . . . H 4 33.791 50.404 8.646 1.00 22.16 ? C4 CMP 761 B 1 +HETATM 4433 O O HOH . . . I 5 45.092 62.707 -38.052 1.00 40.55 ? O HOH 497 C 1 +HETATM 4434 O O HOH . . . I 5 34.545 54.424 -34.074 1.00 46.59 ? O HOH 498 C 1 +HETATM 4435 O O HOH . . . I 5 32.083 57.720 -40.155 1.00 25.7 ? O HOH 499 C 1 +HETATM 4436 O O HOH . . . I 5 26.669 65.133 -35.452 1.00 33.79 ? O HOH 500 C 1 +HETATM 4437 O O HOH . . . I 5 21.789 72.181 -22.980 1.00 47.12 ? O HOH 502 C 1 +HETATM 4438 O O HOH . . . I 5 15.248 65.765 -18.568 1.00 13.3 ? O HOH 505 C 1 +HETATM 4439 O O HOH . . . I 5 18.102 63.640 -26.184 1.00 10.55 ? O HOH 506 C 1 +HETATM 4440 O O HOH . . . I 5 38.134 67.177 -36.049 1.00 39.67 ? O HOH 511 C 1 +HETATM 4441 O O HOH . . . I 5 6.496 75.445 -24.344 1.00 34.06 ? O HOH 545 C 1 +HETATM 4442 O O HOH . . . I 5 5.915 78.120 -25.570 1.00 50.35 ? O HOH 546 C 1 +HETATM 4443 O O HOH . . . I 5 26.503 57.806 -38.215 1.00 49.33 ? O HOH 561 C 1 +HETATM 4444 O O HOH . . . I 5 34.543 63.954 -34.779 1.00 26.3 ? O HOH 562 C 1 +HETATM 4445 O O HOH . . . I 5 40.503 54.446 -28.868 1.00 44.04 ? O HOH 565 C 1 +HETATM 4446 O O HOH . . . I 5 -4.406 63.698 -17.231 1.00 41.56 ? O HOH 568 C 1 +HETATM 4447 O O HOH . . . I 5 -3.754 71.074 -24.645 1.00 26.72 ? O HOH 569 C 1 +HETATM 4448 O O HOH . . . I 5 9.518 75.455 -21.479 1.00 41.76 ? O HOH 572 C 1 +HETATM 4449 O O HOH . . . I 5 17.844 76.245 -23.110 1.00 54.25 ? O HOH 573 C 1 +HETATM 4450 O O HOH . . . I 5 10.529 81.336 -25.817 1.00 20.78 ? O HOH 574 C 1 +HETATM 4451 O O HOH . . . I 5 19.103 72.754 -21.738 1.00 37.97 ? O HOH 576 C 1 +HETATM 4452 O O HOH . . . I 5 37.142 57.678 -32.298 1.00 44.28 ? O HOH 593 C 1 +HETATM 4453 O O HOH . . . I 5 28.559 54.589 -35.786 1.00 33.76 ? O HOH 594 C 1 +HETATM 4454 O O HOH . . . I 5 24.818 56.110 -35.105 1.00 38.87 ? O HOH 595 C 1 +HETATM 4455 O O HOH . . . I 5 6.032 71.716 -33.977 1.00 28.94 ? O HOH 597 C 1 +HETATM 4456 O O HOH . . . I 5 6.701 81.328 -24.221 1.00 32.38 ? O HOH 598 C 1 +HETATM 4457 O O HOH . . . I 5 38.755 57.279 -27.498 1.00 23.05 ? O HOH 600 C 1 +HETATM 4458 O O HOH . . . I 5 15.304 73.759 -12.366 1.00 45.91 ? O HOH 609 C 1 +HETATM 4459 O O HOH . . . I 5 19.746 75.497 -20.941 1.00 24.75 ? O HOH 612 C 1 +HETATM 4460 O O HOH . . . I 5 33.850 55.583 -37.595 1.00 38.18 ? O HOH 631 C 1 +HETATM 4461 O O HOH . . . I 5 41.052 57.278 -30.411 1.00 54.37 ? O HOH 635 C 1 +HETATM 4462 O O HOH . . . I 5 23.329 62.494 -35.820 1.00 44.05 ? O HOH 636 C 1 +HETATM 4463 O O HOH . . . I 5 16.739 74.990 -27.635 1.00 34.45 ? O HOH 645 C 1 +HETATM 4464 O O HOH . . . I 5 -2.747 62.236 -18.959 1.00 51.72 ? O HOH 652 C 1 +HETATM 4465 O O HOH . . . I 5 21.437 58.130 -27.166 1.00 44.51 ? O HOH 655 C 1 +HETATM 4466 O O HOH . . . I 5 20.214 58.740 -36.056 1.00 47.44 ? O HOH 656 C 1 +HETATM 4467 O O HOH . . . I 5 15.915 66.391 -16.034 1.00 44.96 ? O HOH 659 C 1 +HETATM 4468 O O HOH . . . I 5 16.874 60.354 -21.901 1.00 39.78 ? O HOH 660 C 1 +HETATM 4469 O O HOH . . . I 5 -6.306 64.692 -18.758 1.00 14.12 ? O HOH 672 C 1 +HETATM 4470 O O HOH . . . I 5 21.194 62.919 -31.519 1.00 55 ? O HOH 677 C 1 +HETATM 4471 O O HOH . . . I 5 20.660 75.297 -23.813 1.00 41.23 ? O HOH 692 C 1 +HETATM 4472 O O HOH . . . I 5 -1.234 68.669 -34.146 1.00 48.42 ? O HOH 699 C 1 +HETATM 4473 O O HOH . . . I 5 -4.841 71.213 -27.538 1.00 47.07 ? O HOH 700 C 1 +HETATM 4474 O O HOH . . . I 5 -1.095 63.024 -23.484 1.00 43.34 ? O HOH 701 C 1 +HETATM 4475 O O HOH . . . I 5 16.283 79.208 -26.983 1.00 49.4 ? O HOH 702 C 1 +HETATM 4476 O O HOH . . . I 5 19.179 59.427 -27.503 1.00 47.32 ? O HOH 706 C 1 +HETATM 4477 O O HOH . . . I 5 22.551 57.921 -34.154 1.00 55 ? O HOH 707 C 1 +HETATM 4478 O O HOH . . . I 5 22.568 54.840 -35.215 1.00 28.25 ? O HOH 708 C 1 +HETATM 4479 O O HOH . . . I 5 37.110 60.913 -39.945 1.00 20.63 ? O HOH 709 C 1 +HETATM 4480 O O HOH . . . I 5 39.915 65.768 -33.913 1.00 55 ? O HOH 710 C 1 +HETATM 4481 O O HOH . . . I 5 30.547 58.805 -30.327 1.00 32.03 ? O HOH 715 C 1 +HETATM 4482 O O HOH . . . I 5 24.361 53.539 -32.522 1.00 43.87 ? O HOH 724 C 1 +HETATM 4483 O O HOH . . . J 5 70.347 58.185 -8.109 1.00 55 ? O HOH 475 D 1 +HETATM 4484 O O HOH . . . J 5 64.471 44.790 -17.048 1.00 46.14 ? O HOH 476 D 1 +HETATM 4485 O O HOH . . . J 5 51.769 43.366 -8.088 1.00 32.45 ? O HOH 477 D 1 +HETATM 4486 O O HOH . . . J 5 53.137 40.252 -11.712 1.00 55 ? O HOH 478 D 1 +HETATM 4487 O O HOH . . . J 5 60.531 36.463 -9.174 1.00 38.78 ? O HOH 479 D 1 +HETATM 4488 O O HOH . . . J 5 58.862 36.585 -19.509 1.00 54.25 ? O HOH 480 D 1 +HETATM 4489 O O HOH . . . J 5 66.890 46.517 -12.427 1.00 27.96 ? O HOH 481 D 1 +HETATM 4490 O O HOH . . . J 5 73.157 47.205 -13.109 1.00 53.02 ? O HOH 482 D 1 +HETATM 4491 O O HOH . . . J 5 65.406 39.582 13.133 1.00 28.43 ? O HOH 485 D 1 +HETATM 4492 O O HOH . . . J 5 62.621 47.039 14.604 1.00 52.46 ? O HOH 486 D 1 +HETATM 4493 O O HOH . . . J 5 65.155 39.397 -1.228 1.00 20.94 ? O HOH 489 D 1 +HETATM 4494 O O HOH . . . J 5 46.206 49.808 -17.576 1.00 35.36 ? O HOH 490 D 1 +HETATM 4495 O O HOH . . . J 5 42.855 63.733 -22.373 1.00 33.69 ? O HOH 493 D 1 +HETATM 4496 O O HOH . . . J 5 51.508 67.455 -17.121 1.00 37.41 ? O HOH 512 D 1 +HETATM 4497 O O HOH . . . J 5 55.844 44.029 14.113 1.00 40.33 ? O HOH 517 D 1 +HETATM 4498 O O HOH . . . J 5 57.886 44.135 10.476 1.00 41.36 ? O HOH 518 D 1 +HETATM 4499 O O HOH . . . J 5 51.555 62.372 -24.432 1.00 27.58 ? O HOH 524 D 1 +HETATM 4500 O O HOH . . . J 5 43.711 56.235 -28.355 1.00 26.56 ? O HOH 525 D 1 +HETATM 4501 O O HOH . . . J 5 60.736 42.023 8.755 1.00 40.46 ? O HOH 529 D 1 +HETATM 4502 O O HOH . . . J 5 56.046 49.978 8.883 1.00 27.41 ? O HOH 530 D 1 +HETATM 4503 O O HOH . . . J 5 70.091 40.615 -3.930 1.00 22.25 ? O HOH 533 D 1 +HETATM 4504 O O HOH . . . J 5 67.001 53.080 -8.644 1.00 42.15 ? O HOH 534 D 1 +HETATM 4505 O O HOH . . . J 5 70.597 45.672 7.197 1.00 19.93 ? O HOH 535 D 1 +HETATM 4506 O O HOH . . . J 5 56.990 37.442 -11.269 1.00 32.19 ? O HOH 538 D 1 +HETATM 4507 O O HOH . . . J 5 65.265 35.444 -10.170 1.00 34.93 ? O HOH 539 D 1 +HETATM 4508 O O HOH . . . J 5 62.109 37.199 -7.114 1.00 52.71 ? O HOH 540 D 1 +HETATM 4509 O O HOH . . . J 5 42.794 68.731 -22.407 1.00 35.15 ? O HOH 547 D 1 +HETATM 4510 O O HOH . . . J 5 46.123 70.632 -24.405 1.00 35.29 ? O HOH 548 D 1 +HETATM 4511 O O HOH . . . J 5 67.748 49.985 -8.437 1.00 10.22 ? O HOH 549 D 1 +HETATM 4512 O O HOH . . . J 5 74.545 45.447 -9.233 1.00 51.32 ? O HOH 550 D 1 +HETATM 4513 O O HOH . . . J 5 54.585 44.617 -19.064 1.00 26.7 ? O HOH 551 D 1 +HETATM 4514 O O HOH . . . J 5 53.794 42.969 -10.618 1.00 50.8 ? O HOH 552 D 1 +HETATM 4515 O O HOH . . . J 5 49.037 44.429 -18.075 1.00 37.42 ? O HOH 553 D 1 +HETATM 4516 O O HOH . . . J 5 48.762 48.216 -18.826 1.00 27.63 ? O HOH 554 D 1 +HETATM 4517 O O HOH . . . J 5 49.442 65.308 -24.106 1.00 24.91 ? O HOH 556 D 1 +HETATM 4518 O O HOH . . . J 5 49.882 70.093 -21.008 1.00 35.27 ? O HOH 557 D 1 +HETATM 4519 O O HOH . . . J 5 43.056 66.665 -27.299 1.00 47.52 ? O HOH 558 D 1 +HETATM 4520 O O HOH . . . J 5 60.509 38.551 -10.754 1.00 46.62 ? O HOH 567 D 1 +HETATM 4521 O O HOH . . . J 5 58.263 43.649 7.952 1.00 45.35 ? O HOH 582 D 1 +HETATM 4522 O O HOH . . . J 5 68.602 58.415 -1.102 1.00 26.82 ? O HOH 584 D 1 +HETATM 4523 O O HOH . . . J 5 62.961 41.331 -17.673 1.00 36.46 ? O HOH 585 D 1 +HETATM 4524 O O HOH . . . J 5 65.781 42.618 -14.654 1.00 33.9 ? O HOH 586 D 1 +HETATM 4525 O O HOH . . . J 5 57.291 38.952 -20.892 1.00 45.33 ? O HOH 587 D 1 +HETATM 4526 O O HOH . . . J 5 45.117 52.569 -17.172 1.00 30.91 ? O HOH 588 D 1 +HETATM 4527 O O HOH . . . J 5 53.289 60.935 -18.784 1.00 52 ? O HOH 591 D 1 +HETATM 4528 O O HOH . . . J 5 52.176 45.995 -18.770 1.00 38.67 ? O HOH 601 D 1 +HETATM 4529 O O HOH . . . J 5 46.868 43.275 -9.443 1.00 39.72 ? O HOH 607 D 1 +HETATM 4530 O O HOH . . . J 5 43.045 64.995 -15.789 1.00 49.25 ? O HOH 617 D 1 +HETATM 4531 O O HOH . . . J 5 67.269 32.001 17.229 1.00 48.15 ? O HOH 621 D 1 +HETATM 4532 O O HOH . . . J 5 62.211 36.743 13.534 1.00 46.51 ? O HOH 622 D 1 +HETATM 4533 O O HOH . . . J 5 71.630 38.512 -10.357 1.00 46.87 ? O HOH 624 D 1 +HETATM 4534 O O HOH . . . J 5 69.132 49.442 -10.591 1.00 38.27 ? O HOH 626 D 1 +HETATM 4535 O O HOH . . . J 5 42.251 68.919 -19.154 1.00 38.7 ? O HOH 633 D 1 +HETATM 4536 O O HOH . . . J 5 67.973 57.466 -6.149 1.00 33.81 ? O HOH 642 D 1 +HETATM 4537 O O HOH . . . J 5 50.302 66.708 -28.579 1.00 42.56 ? O HOH 643 D 1 +HETATM 4538 O O HOH . . . J 5 49.016 61.067 -28.672 1.00 53.81 ? O HOH 644 D 1 +HETATM 4539 O O HOH . . . J 5 55.217 38.453 -8.585 1.00 51.32 ? O HOH 666 D 1 +HETATM 4540 O O HOH . . . J 5 55.814 43.041 -8.509 1.00 19.14 ? O HOH 667 D 1 +HETATM 4541 O O HOH . . . J 5 62.561 34.808 -12.282 1.00 30.86 ? O HOH 668 D 1 +HETATM 4542 O O HOH . . . J 5 66.797 49.407 15.098 1.00 55 ? O HOH 669 D 1 +HETATM 4543 O O HOH . . . J 5 56.396 41.212 -19.750 1.00 52.13 ? O HOH 683 D 1 +HETATM 4544 O O HOH . . . J 5 50.283 38.631 -15.757 1.00 35.91 ? O HOH 695 D 1 +HETATM 4545 O O HOH . . . J 5 58.305 42.736 -8.090 1.00 44.09 ? O HOH 696 D 1 +HETATM 4546 O O HOH . . . J 5 61.189 39.930 -7.739 1.00 53.41 ? O HOH 697 D 1 +HETATM 4547 O O HOH . . . J 5 68.551 53.858 -6.671 1.00 43.38 ? O HOH 713 D 1 +HETATM 4548 O O HOH . . . J 5 66.847 51.437 8.723 1.00 43.84 ? O HOH 714 D 1 +HETATM 4549 O O HOH . . . J 5 65.905 52.520 14.043 1.00 53.8 ? O HOH 742 D 1 +HETATM 4550 O O HOH . . . J 5 69.799 45.512 1.693 1.00 51.26 ? O HOH 749 D 1 +HETATM 4551 O O HOH . . . J 5 63.835 52.551 11.873 1.00 41.86 ? O HOH 752 D 1 +HETATM 4552 O O HOH . . . J 5 61.683 51.699 14.595 1.00 39.64 ? O HOH 753 D 1 +HETATM 4553 O O HOH . . . J 5 70.864 48.989 -15.635 1.00 55 ? O HOH 755 D 1 +HETATM 4554 O O HOH . . . K 5 67.397 35.573 10.316 1.00 20.55 ? O HOH 483 E 1 +HETATM 4555 O O HOH . . . K 5 67.927 39.018 11.403 1.00 28.29 ? O HOH 484 E 1 +HETATM 4556 O O HOH . . . K 5 63.705 52.517 -0.832 1.00 36.53 ? O HOH 487 E 1 +HETATM 4557 O O HOH . . . K 5 65.354 49.889 -4.492 1.00 49.78 ? O HOH 488 E 1 +HETATM 4558 O O HOH . . . K 5 74.697 45.400 5.860 1.00 44.7 ? O HOH 515 E 1 +HETATM 4559 O O HOH . . . K 5 75.656 39.879 3.425 1.00 32.51 ? O HOH 516 E 1 +HETATM 4560 O O HOH . . . K 5 67.795 33.325 3.865 1.00 46.58 ? O HOH 519 E 1 +HETATM 4561 O O HOH . . . K 5 72.727 49.110 4.087 1.00 29.56 ? O HOH 520 E 1 +HETATM 4562 O O HOH . . . K 5 56.084 57.660 -19.059 1.00 22.64 ? O HOH 521 E 1 +HETATM 4563 O O HOH . . . K 5 76.028 51.424 12.000 1.00 34.44 ? O HOH 531 E 1 +HETATM 4564 O O HOH . . . K 5 72.935 51.041 11.055 1.00 31.9 ? O HOH 536 E 1 +HETATM 4565 O O HOH . . . K 5 72.141 46.460 4.120 1.00 52 ? O HOH 537 E 1 +HETATM 4566 O O HOH . . . K 5 57.218 36.663 5.877 1.00 21.3 ? O HOH 543 E 1 +HETATM 4567 O O HOH . . . K 5 65.310 39.550 9.706 1.00 33.24 ? O HOH 544 E 1 +HETATM 4568 O O HOH . . . K 5 69.997 37.575 10.818 1.00 55 ? O HOH 566 E 1 +HETATM 4569 O O HOH . . . K 5 75.565 35.395 7.040 1.00 33.9 ? O HOH 570 E 1 +HETATM 4570 O O HOH . . . K 5 70.867 49.370 11.889 1.00 35.98 ? O HOH 571 E 1 +HETATM 4571 O O HOH . . . K 5 69.335 38.156 1.355 1.00 38.59 ? O HOH 577 E 1 +HETATM 4572 O O HOH . . . K 5 73.936 49.676 13.646 1.00 47.86 ? O HOH 578 E 1 +HETATM 4573 O O HOH . . . K 5 73.413 46.396 8.669 1.00 43.69 ? O HOH 579 E 1 +HETATM 4574 O O HOH . . . K 5 81.229 50.580 8.324 1.00 37.52 ? O HOH 580 E 1 +HETATM 4575 O O HOH . . . K 5 81.781 42.290 10.185 1.00 25.63 ? O HOH 581 E 1 +HETATM 4576 O O HOH . . . K 5 63.154 49.753 0.787 1.00 20.16 ? O HOH 583 E 1 +HETATM 4577 O O HOH . . . K 5 52.394 48.873 -30.007 1.00 53.55 ? O HOH 590 E 1 +HETATM 4578 O O HOH . . . K 5 61.104 54.976 -26.847 1.00 47.94 ? O HOH 604 E 1 +HETATM 4579 O O HOH . . . K 5 57.666 55.211 -26.018 1.00 50.15 ? O HOH 605 E 1 +HETATM 4580 O O HOH . . . K 5 60.039 55.864 -23.590 1.00 55 ? O HOH 606 E 1 +HETATM 4581 O O HOH . . . K 5 60.100 41.365 -5.201 1.00 45.95 ? O HOH 618 E 1 +HETATM 4582 O O HOH . . . K 5 70.637 38.501 14.290 1.00 46.42 ? O HOH 619 E 1 +HETATM 4583 O O HOH . . . K 5 73.290 40.555 14.035 1.00 41.72 ? O HOH 620 E 1 +HETATM 4584 O O HOH . . . K 5 57.193 39.220 8.721 1.00 37.63 ? O HOH 623 E 1 +HETATM 4585 O O HOH . . . K 5 66.092 50.610 -10.399 1.00 23.91 ? O HOH 625 E 1 +HETATM 4586 O O HOH . . . K 5 77.611 47.325 18.440 1.00 35.78 ? O HOH 639 E 1 +HETATM 4587 O O HOH . . . K 5 71.268 40.221 1.712 1.00 47 ? O HOH 640 E 1 +HETATM 4588 O O HOH . . . K 5 64.841 55.304 -2.212 1.00 38.46 ? O HOH 641 E 1 +HETATM 4589 O O HOH . . . K 5 60.211 47.358 -24.602 1.00 44.79 ? O HOH 646 E 1 +HETATM 4590 O O HOH . . . K 5 57.361 49.302 -22.833 1.00 33.4 ? O HOH 647 E 1 +HETATM 4591 O O HOH . . . K 5 57.900 46.482 -21.158 1.00 49.78 ? O HOH 684 E 1 +HETATM 4592 O O HOH . . . K 5 57.827 43.936 -4.996 1.00 54.36 ? O HOH 685 E 1 +HETATM 4593 O O HOH . . . K 5 80.651 48.325 11.022 1.00 29.52 ? O HOH 686 E 1 +HETATM 4594 O O HOH . . . K 5 79.286 51.604 13.129 1.00 49.66 ? O HOH 687 E 1 +HETATM 4595 O O HOH . . . K 5 80.238 44.021 6.912 1.00 45.95 ? O HOH 688 E 1 +HETATM 4596 O O HOH . . . K 5 60.733 33.245 7.305 1.00 55 ? O HOH 743 E 1 +HETATM 4597 O O HOH . . . K 5 77.556 43.536 6.417 1.00 53.41 ? O HOH 750 E 1 +HETATM 4598 O O HOH . . . K 5 74.125 33.302 1.512 1.00 55 ? O HOH 751 E 1 +HETATM 4599 O O HOH . . . K 5 58.691 40.778 -0.272 1.00 53.41 ? O HOH 754 E 1 +HETATM 4600 O O HOH . . . K 5 65.062 57.859 -15.430 1.00 51.71 ? O HOH 756 E 1 +HETATM 4601 O O HOH . . . L 5 39.601 51.800 -14.163 1.00 48.63 ? O HOH 491 F 1 +HETATM 4602 O O HOH . . . L 5 42.338 57.424 -18.088 1.00 30.52 ? O HOH 492 F 1 +HETATM 4603 O O HOH . . . L 5 40.611 68.254 -26.386 1.00 43.31 ? O HOH 494 F 1 +HETATM 4604 O O HOH . . . L 5 36.111 75.412 -28.364 1.00 44.29 ? O HOH 495 F 1 +HETATM 4605 O O HOH . . . L 5 38.325 74.842 -20.690 1.00 29.66 ? O HOH 496 F 1 +HETATM 4606 O O HOH . . . L 5 28.870 71.233 -37.894 1.00 27.7 ? O HOH 501 F 1 +HETATM 4607 O O HOH . . . L 5 20.912 72.874 -29.010 1.00 44.34 ? O HOH 503 F 1 +HETATM 4608 O O HOH . . . L 5 13.937 66.994 -20.653 1.00 23.17 ? O HOH 504 F 1 +HETATM 4609 O O HOH . . . L 5 10.104 59.707 -27.834 1.00 40.2 ? O HOH 507 F 1 +HETATM 4610 O O HOH . . . L 5 8.864 68.297 -31.113 1.00 39.94 ? O HOH 508 F 1 +HETATM 4611 O O HOH . . . L 5 7.068 68.916 -33.354 1.00 47.65 ? O HOH 509 F 1 +HETATM 4612 O O HOH . . . L 5 11.412 69.749 -31.428 1.00 17.9 ? O HOH 510 F 1 +HETATM 4613 O O HOH . . . L 5 40.640 65.256 -22.789 1.00 23.04 ? O HOH 513 F 1 +HETATM 4614 O O HOH . . . L 5 35.254 72.551 -20.118 1.00 55 ? O HOH 514 F 1 +HETATM 4615 O O HOH . . . L 5 51.575 55.673 -25.930 1.00 33.99 ? O HOH 522 F 1 +HETATM 4616 O O HOH . . . L 5 41.795 46.087 -19.656 1.00 38.63 ? O HOH 523 F 1 +HETATM 4617 O O HOH . . . L 5 15.802 70.478 -35.327 1.00 35.2 ? O HOH 526 F 1 +HETATM 4618 O O HOH . . . L 5 6.392 61.612 -26.066 1.00 23.72 ? O HOH 527 F 1 +HETATM 4619 O O HOH . . . L 5 29.124 79.776 -34.852 1.00 32.63 ? O HOH 528 F 1 +HETATM 4620 O O HOH . . . L 5 37.883 51.549 -24.595 1.00 54.07 ? O HOH 541 F 1 +HETATM 4621 O O HOH . . . L 5 34.835 50.547 -20.628 1.00 30.94 ? O HOH 542 F 1 +HETATM 4622 O O HOH . . . L 5 31.162 76.662 -22.119 1.00 55 ? O HOH 559 F 1 +HETATM 4623 O O HOH . . . L 5 31.060 70.006 -34.200 1.00 16.86 ? O HOH 560 F 1 +HETATM 4624 O O HOH . . . L 5 16.542 71.808 -32.219 1.00 21.1 ? O HOH 563 F 1 +HETATM 4625 O O HOH . . . L 5 14.867 68.245 -36.351 1.00 34.11 ? O HOH 564 F 1 +HETATM 4626 O O HOH . . . L 5 18.549 64.506 -40.441 1.00 32.89 ? O HOH 575 F 1 +HETATM 4627 O O HOH . . . L 5 45.887 44.599 -27.592 1.00 37.29 ? O HOH 589 F 1 +HETATM 4628 O O HOH . . . L 5 35.632 50.257 -23.883 1.00 50.89 ? O HOH 592 F 1 +HETATM 4629 O O HOH . . . L 5 22.784 72.471 -27.076 1.00 42.58 ? O HOH 596 F 1 +HETATM 4630 O O HOH . . . L 5 7.194 58.282 -22.777 1.00 48.95 ? O HOH 599 F 1 +HETATM 4631 O O HOH . . . L 5 2.172 75.065 -25.769 1.00 29.07 ? O HOH 602 F 1 +HETATM 4632 O O HOH . . . L 5 6.522 79.928 -16.010 1.00 25.22 ? O HOH 603 F 1 +HETATM 4633 O O HOH . . . L 5 43.025 43.992 -21.855 1.00 29.25 ? O HOH 608 F 1 +HETATM 4634 O O HOH . . . L 5 7.478 77.422 -10.240 1.00 18.53 ? O HOH 610 F 1 +HETATM 4635 O O HOH . . . L 5 17.066 57.430 -29.734 1.00 29.65 ? O HOH 613 F 1 +HETATM 4636 O O HOH . . . L 5 27.442 72.109 -25.068 1.00 16.67 ? O HOH 614 F 1 +HETATM 4637 O O HOH . . . L 5 29.667 73.505 -25.820 1.00 28.54 ? O HOH 615 F 1 +HETATM 4638 O O HOH . . . L 5 34.311 76.445 -23.875 1.00 49.17 ? O HOH 616 F 1 +HETATM 4639 O O HOH . . . L 5 40.192 64.519 -16.676 1.00 55 ? O HOH 627 F 1 +HETATM 4640 O O HOH . . . L 5 4.897 63.696 -25.327 1.00 38.66 ? O HOH 628 F 1 +HETATM 4641 O O HOH . . . L 5 13.729 70.695 -32.590 1.00 37.63 ? O HOH 629 F 1 +HETATM 4642 O O HOH . . . L 5 40.317 69.089 -23.974 1.00 54.97 ? O HOH 630 F 1 +HETATM 4643 O O HOH . . . L 5 31.852 69.051 -22.413 1.00 36.54 ? O HOH 632 F 1 +HETATM 4644 O O HOH . . . L 5 37.512 63.501 -14.722 1.00 25.25 ? O HOH 634 F 1 +HETATM 4645 O O HOH . . . L 5 25.176 68.661 -35.141 1.00 49.11 ? O HOH 637 F 1 +HETATM 4646 O O HOH . . . L 5 4.653 68.424 -33.675 1.00 22.79 ? O HOH 648 F 1 +HETATM 4647 O O HOH . . . L 5 4.431 77.755 -22.149 1.00 41.86 ? O HOH 649 F 1 +HETATM 4648 O O HOH . . . L 5 7.296 75.601 -12.699 1.00 33.31 ? O HOH 650 F 1 +HETATM 4649 O O HOH . . . L 5 6.998 71.561 -11.947 1.00 37.29 ? O HOH 651 F 1 +HETATM 4650 O O HOH . . . L 5 7.933 58.041 -25.945 1.00 30.99 ? O HOH 653 F 1 +HETATM 4651 O O HOH . . . L 5 13.763 61.040 -18.030 1.00 47.96 ? O HOH 658 F 1 +HETATM 4652 O O HOH . . . L 5 33.756 72.777 -22.367 1.00 46.41 ? O HOH 661 F 1 +HETATM 4653 O O HOH . . . L 5 54.464 46.698 -24.996 1.00 46.73 ? O HOH 662 F 1 +HETATM 4654 O O HOH . . . L 5 36.668 53.614 -22.756 1.00 41.75 ? O HOH 663 F 1 +HETATM 4655 O O HOH . . . L 5 7.813 79.582 -18.457 1.00 37.6 ? O HOH 670 F 1 +HETATM 4656 O O HOH . . . L 5 8.196 65.636 -13.058 1.00 54.25 ? O HOH 671 F 1 +HETATM 4657 O O HOH . . . L 5 9.648 63.288 -15.403 1.00 38.99 ? O HOH 673 F 1 +HETATM 4658 O O HOH . . . L 5 8.696 62.103 -24.916 1.00 50.52 ? O HOH 674 F 1 +HETATM 4659 O O HOH . . . L 5 14.733 66.217 -23.050 1.00 35.25 ? O HOH 675 F 1 +HETATM 4660 O O HOH . . . L 5 11.389 72.474 -31.016 1.00 46.75 ? O HOH 676 F 1 +HETATM 4661 O O HOH . . . L 5 12.114 58.988 -34.210 1.00 53.56 ? O HOH 678 F 1 +HETATM 4662 O O HOH . . . L 5 35.294 69.551 -30.893 1.00 45.99 ? O HOH 679 F 1 +HETATM 4663 O O HOH . . . L 5 41.412 63.169 -19.944 1.00 43.35 ? O HOH 681 F 1 +HETATM 4664 O O HOH . . . L 5 43.289 54.324 -18.513 1.00 55 ? O HOH 682 F 1 +HETATM 4665 O O HOH . . . L 5 9.751 71.706 -11.911 1.00 32.94 ? O HOH 689 F 1 +HETATM 4666 O O HOH . . . L 5 7.616 61.298 -20.989 1.00 38.13 ? O HOH 690 F 1 +HETATM 4667 O O HOH . . . L 5 2.925 75.398 -8.790 1.00 51.05 ? O HOH 691 F 1 +HETATM 4668 O O HOH . . . L 5 25.480 73.849 -27.535 1.00 49.54 ? O HOH 693 F 1 +HETATM 4669 O O HOH . . . L 5 9.405 78.692 -15.849 1.00 48.02 ? O HOH 703 F 1 +HETATM 4670 O O HOH . . . L 5 3.752 75.722 -12.148 1.00 54.69 ? O HOH 704 F 1 +HETATM 4671 O O HOH . . . L 5 38.687 69.451 -28.246 1.00 49.88 ? O HOH 711 F 1 +HETATM 4672 O O HOH . . . L 5 37.106 67.659 -32.437 1.00 39.11 ? O HOH 712 F 1 +HETATM 4673 O O HOH . . . L 5 20.319 73.578 -33.478 1.00 45.67 ? O HOH 716 F 1 +HETATM 4674 O O HOH . . . L 5 6.360 63.920 -15.465 1.00 52.65 ? O HOH 718 F 1 +HETATM 4675 O O HOH . . . L 5 26.865 78.212 -29.056 1.00 55 ? O HOH 748 F 1 +HETATM 4676 O O HOH . . . M 5 10.284 72.559 -8.903 1.00 22.85 ? O HOH 611 A 1 +HETATM 4677 O O HOH . . . M 5 9.255 57.324 -28.987 1.00 55 ? O HOH 654 A 1 +HETATM 4678 O O HOH . . . M 5 21.678 54.651 -24.966 1.00 43.43 ? O HOH 657 A 1 +HETATM 4679 O O HOH . . . M 5 7.400 73.484 -9.214 1.00 47.11 ? O HOH 705 A 1 +HETATM 4680 O O HOH . . . M 5 17.557 61.852 -14.892 1.00 42.94 ? O HOH 717 A 1 +HETATM 4681 O O HOH . . . M 5 11.375 59.500 -14.354 1.00 52.68 ? O HOH 719 A 1 +HETATM 4682 O O HOH . . . M 5 12.614 53.284 -14.492 1.00 51.76 ? O HOH 720 A 1 +HETATM 4683 O O HOH . . . M 5 13.058 60.579 -10.316 1.00 49.73 ? O HOH 721 A 1 +HETATM 4684 O O HOH . . . M 5 28.816 53.412 -29.637 1.00 39.73 ? O HOH 722 A 1 +HETATM 4685 O O HOH . . . M 5 21.255 54.038 -29.711 1.00 41.83 ? O HOH 723 A 1 +HETATM 4686 O O HOH . . . M 5 38.936 47.409 -18.387 1.00 40.91 ? O HOH 725 A 1 +HETATM 4687 O O HOH . . . M 5 41.262 47.175 -17.411 1.00 38.05 ? O HOH 726 A 1 +HETATM 4688 O O HOH . . . M 5 12.478 74.038 6.484 1.00 49.67 ? O HOH 734 A 1 +HETATM 4689 O O HOH . . . M 5 18.509 73.301 5.314 1.00 43.09 ? O HOH 735 A 1 +HETATM 4690 O O HOH . . . M 5 19.750 65.654 -12.399 1.00 25.25 ? O HOH 736 A 1 +HETATM 4691 O O HOH . . . M 5 23.380 68.251 -12.222 1.00 25.18 ? O HOH 737 A 1 +HETATM 4692 O O HOH . . . M 5 14.892 62.388 -11.516 1.00 41.1 ? O HOH 738 A 1 +HETATM 4693 O O HOH . . . M 5 24.435 69.769 -18.274 1.00 48.14 ? O HOH 744 A 1 +HETATM 4694 O O HOH . . . M 5 25.815 69.476 -21.119 1.00 48.69 ? O HOH 745 A 1 +HETATM 4695 O O HOH . . . M 5 27.956 67.774 -19.811 1.00 55 ? O HOH 746 A 1 +HETATM 4696 O O HOH . . . M 5 26.553 66.389 -18.032 1.00 51.67 ? O HOH 747 A 1 +HETATM 4697 O O HOH . . . N 5 59.562 53.896 4.476 1.00 30.56 ? O HOH 532 B 1 +HETATM 4698 O O HOH . . . N 5 55.057 58.699 -15.558 1.00 44.05 ? O HOH 555 B 1 +HETATM 4699 O O HOH . . . N 5 59.004 61.481 -14.106 1.00 55 ? O HOH 638 B 1 +HETATM 4700 O O HOH . . . N 5 40.467 58.019 -13.975 1.00 51.91 ? O HOH 664 B 1 +HETATM 4701 O O HOH . . . N 5 43.433 63.243 -13.179 1.00 53.31 ? O HOH 665 B 1 +HETATM 4702 O O HOH . . . N 5 37.656 60.746 -12.566 1.00 55 ? O HOH 680 B 1 +HETATM 4703 O O HOH . . . N 5 27.051 28.112 9.958 1.00 40.96 ? O HOH 694 B 1 +HETATM 4704 O O HOH . . . N 5 66.350 59.431 7.530 1.00 46.96 ? O HOH 698 B 1 +HETATM 4705 O O HOH . . . N 5 50.447 47.743 -5.108 1.00 51.54 ? O HOH 727 B 1 +HETATM 4706 O O HOH . . . N 5 47.146 45.975 -3.411 1.00 42.22 ? O HOH 728 B 1 +HETATM 4707 O O HOH . . . N 5 46.157 49.437 -7.502 1.00 53.47 ? O HOH 729 B 1 +HETATM 4708 O O HOH . . . N 5 43.808 40.145 -13.034 1.00 30.09 ? O HOH 730 B 1 +HETATM 4709 O O HOH . . . N 5 36.050 55.545 6.786 1.00 37.49 ? O HOH 731 B 1 +HETATM 4710 O O HOH . . . N 5 38.361 59.270 3.275 1.00 53.62 ? O HOH 732 B 1 +HETATM 4711 O O HOH . . . N 5 40.217 64.375 2.797 1.00 44.11 ? O HOH 733 B 1 +HETATM 4712 O O HOH . . . N 5 41.541 53.966 -8.409 1.00 51.18 ? O HOH 739 B 1 +HETATM 4713 O O HOH . . . N 5 39.178 56.148 -9.152 1.00 32.47 ? O HOH 740 B 1 +HETATM 4714 O O HOH . . . N 5 40.084 58.973 -11.133 1.00 51.6 ? O HOH 741 B 1 +HETATM 4715 O O HOH . . . N 5 45.750 42.963 -13.260 1.00 55 ? O HOH 757 B 1 +HETATM 4716 O O HOH . . . N 5 53.894 43.192 17.506 1.00 50.14 ? O HOH 758 B 1 +HETATM 4717 O O HOH . . . N 5 51.308 41.624 18.445 1.00 44.78 ? O HOH 759 B 1 +HETATM 4718 O O HOH . . . N 5 51.831 41.946 22.916 1.00 43.08 ? O HOH 760 B 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 DG 1 -5 -5 DG G C . n +A 1 2 DC 2 -4 -4 DC C C . n +A 1 3 DG 3 -3 -3 DG G C . n +A 1 4 DA 4 -2 -2 DA A C . n +A 1 5 DA 5 -1 -1 DA A C . n +A 1 6 DA 6 1 1 DA A C . n +A 1 7 DA 7 2 2 DA A C . n +A 1 8 DG 8 3 3 DG G C . n +A 1 9 DT 9 4 4 DT T C . n +A 1 10 DG 10 5 5 DG G C . n +A 1 11 DT 11 6 6 DT T C . n +A 1 12 DG 12 7 7 DG G C . n +A 1 13 DA 13 8 8 DA A C . n +A 1 14 DC 14 9 9 DC C C . n +B 2 1 DA 1 10 10 DA A D . n +B 2 2 DT 2 11 11 DT T D . n +B 2 3 DA 3 12 12 DA A D . n +B 2 4 DT 4 13 13 DT T D . n +B 2 5 DG 5 14 14 DG G D . n +B 2 6 DT 6 15 15 DT T D . n +B 2 7 DC 7 16 16 DC C D . n +B 2 8 DA 8 17 17 DA A D . n +B 2 9 DC 9 18 18 DC C D . n +B 2 10 DA 10 19 19 DA A D . n +B 2 11 DC 11 20 20 DC C D . n +B 2 12 DT 12 21 21 DT T D . n +B 2 13 DT 13 22 22 DT T D . n +B 2 14 DT 14 23 23 DT T D . n +B 2 15 DT 15 24 24 DT T D . n +B 2 16 DC 16 25 25 DC C D . n +B 2 17 DG 17 26 26 DG G D . n +C 1 1 DG 1 27 27 DG G E . n +C 1 2 DC 2 26 26 DC C E . n +C 1 3 DG 3 25 25 DG G E . n +C 1 4 DA 4 24 24 DA A E . n +C 1 5 DA 5 23 23 DA A E . n +C 1 6 DA 6 22 22 DA A E . n +C 1 7 DA 7 21 21 DA A E . n +C 1 8 DG 8 20 20 DG G E . n +C 1 9 DT 9 19 19 DT T E . n +C 1 10 DG 10 18 18 DG G E . n +C 1 11 DT 11 17 17 DT T E . n +C 1 12 DG 12 16 16 DG G E . n +C 1 13 DA 13 15 15 DA A E . n +C 1 14 DC 14 14 14 DC C E . n +D 2 1 DA 1 13 13 DA A F . n +D 2 2 DT 2 12 12 DT T F . n +D 2 3 DA 3 11 11 DA A F . n +D 2 4 DT 4 10 10 DT T F . n +D 2 5 DG 5 9 9 DG G F . n +D 2 6 DT 6 8 8 DT T F . n +D 2 7 DC 7 7 7 DC C F . n +D 2 8 DA 8 6 6 DA A F . n +D 2 9 DC 9 5 5 DC C F . n +D 2 10 DA 10 4 4 DA A F . n +D 2 11 DC 11 3 3 DC C F . n +D 2 12 DT 12 2 2 DT T F . n +D 2 13 DT 13 1 1 DT T F . n +D 2 14 DT 14 -1 -1 DT T F . n +D 2 15 DT 15 -2 -2 DT T F . n +D 2 16 DC 16 -3 -3 DC C F . n +D 2 17 DG 17 -4 -4 DG G F . n +E 3 1 VAL 1 1 . . . A . n +E 3 2 LEU 2 2 . . . A . n +E 3 3 GLY 3 3 . . . A . n +E 3 4 LYS 4 4 . . . A . n +E 3 5 PRO 5 5 . . . A . n +E 3 6 GLN 6 6 . . . A . n +E 3 7 THR 7 7 . . . A . n +E 3 8 ASP 8 8 . . . A . n +E 3 9 PRO 9 9 9 PRO PRO A . n +E 3 10 THR 10 10 10 THR THR A . n +E 3 11 LEU 11 11 11 LEU LEU A . n +E 3 12 GLU 12 12 12 GLU GLU A . n +E 3 13 TRP 13 13 13 TRP TRP A . n +E 3 14 PHE 14 14 14 PHE PHE A . n +E 3 15 LEU 15 15 15 LEU LEU A . n +E 3 16 SER 16 16 16 SER SER A . n +E 3 17 HIS 17 17 17 HIS HIS A . n +E 3 18 CYS 18 18 18 CYS CYS A . n +E 3 19 HIS 19 19 19 HIS HIS A . n +E 3 20 ILE 20 20 20 ILE ILE A . n +E 3 21 HIS 21 21 21 HIS HIS A . n +E 3 22 LYS 22 22 22 LYS LYS A . n +E 3 23 TYR 23 23 23 TYR TYR A . n +E 3 24 PRO 24 24 24 PRO PRO A . n +E 3 25 SER 25 25 25 SER SER A . n +E 3 26 LYS 26 26 26 LYS LYS A . n +E 3 27 SER 27 27 27 SER SER A . n +E 3 28 THR 28 28 28 THR THR A . n +E 3 29 LEU 29 29 29 LEU LEU A . n +E 3 30 ILE 30 30 30 ILE ILE A . n +E 3 31 HIS 31 31 31 HIS HIS A . n +E 3 32 GLN 32 32 32 GLN GLN A . n +E 3 33 GLY 33 33 33 GLY GLY A . n +E 3 34 GLU 34 34 34 GLU GLU A . n +E 3 35 LYS 35 35 35 LYS LYS A . n +E 3 36 ALA 36 36 36 ALA ALA A . n +E 3 37 GLU 37 37 37 GLU GLU A . n +E 3 38 THR 38 38 38 THR THR A . n +E 3 39 LEU 39 39 39 LEU LEU A . n +E 3 40 TYR 40 40 40 TYR TYR A . n +E 3 41 TYR 41 41 41 TYR TYR A . n +E 3 42 ILE 42 42 42 ILE ILE A . n +E 3 43 VAL 43 43 43 VAL VAL A . n +E 3 44 LYS 44 44 44 LYS LYS A . n +E 3 45 GLY 45 45 45 GLY GLY A . n +E 3 46 SER 46 46 46 SER SER A . n +E 3 47 VAL 47 47 47 VAL VAL A . n +E 3 48 ALA 48 48 48 ALA ALA A . n +E 3 49 VAL 49 49 49 VAL VAL A . n +E 3 50 LEU 50 50 50 LEU LEU A . n +E 3 51 ILE 51 51 51 ILE ILE A . n +E 3 52 LYS 52 52 52 LYS LYS A . n +E 3 53 ASP 53 53 53 ASP ASP A . n +E 3 54 GLU 54 54 54 GLU GLU A . n +E 3 55 GLU 55 55 55 GLU GLU A . n +E 3 56 GLY 56 56 56 GLY GLY A . n +E 3 57 LYS 57 57 57 LYS LYS A . n +E 3 58 GLU 58 58 58 GLU GLU A . n +E 3 59 MET 59 59 59 MET MET A . n +E 3 60 ILE 60 60 60 ILE ILE A . n +E 3 61 LEU 61 61 61 LEU LEU A . n +E 3 62 SER 62 62 62 SER SER A . n +E 3 63 TYR 63 63 63 TYR TYR A . n +E 3 64 LEU 64 64 64 LEU LEU A . n +E 3 65 ASN 65 65 65 ASN ASN A . n +E 3 66 GLN 66 66 66 GLN GLN A . n +E 3 67 GLY 67 67 67 GLY GLY A . n +E 3 68 ASP 68 68 68 ASP ASP A . n +E 3 69 PHE 69 69 69 PHE PHE A . n +E 3 70 ILE 70 70 70 ILE ILE A . n +E 3 71 GLY 71 71 71 GLY GLY A . n +E 3 72 GLU 72 72 72 GLU GLU A . n +E 3 73 LEU 73 73 73 LEU LEU A . n +E 3 74 GLY 74 74 74 GLY GLY A . n +E 3 75 LEU 75 75 75 LEU LEU A . n +E 3 76 PHE 76 76 76 PHE PHE A . n +E 3 77 GLU 77 77 77 GLU GLU A . n +E 3 78 GLU 78 78 78 GLU GLU A . n +E 3 79 GLY 79 79 79 GLY GLY A . n +E 3 80 GLN 80 80 80 GLN GLN A . n +E 3 81 GLU 81 81 81 GLU GLU A . n +E 3 82 ARG 82 82 82 ARG ARG A . n +E 3 83 SER 83 83 83 SER SER A . n +E 3 84 ALA 84 84 84 ALA ALA A . n +E 3 85 TRP 85 85 85 TRP TRP A . n +E 3 86 VAL 86 86 86 VAL VAL A . n +E 3 87 ARG 87 87 87 ARG ARG A . n +E 3 88 ALA 88 88 88 ALA ALA A . n +E 3 89 LYS 89 89 89 LYS LYS A . n +E 3 90 THR 90 90 90 THR THR A . n +E 3 91 ALA 91 91 91 ALA ALA A . n +E 3 92 CYS 92 92 92 CYS CYS A . n +E 3 93 GLU 93 93 93 GLU GLU A . n +E 3 94 VAL 94 94 94 VAL VAL A . n +E 3 95 ALA 95 95 95 ALA ALA A . n +E 3 96 GLU 96 96 96 GLU GLU A . n +E 3 97 ILE 97 97 97 ILE ILE A . n +E 3 98 SER 98 98 98 SER SER A . n +E 3 99 TYR 99 99 99 TYR TYR A . n +E 3 100 LYS 100 100 100 LYS LYS A . n +E 3 101 LYS 101 101 101 LYS LYS A . n +E 3 102 PHE 102 102 102 PHE PHE A . n +E 3 103 ARG 103 103 103 ARG ARG A . n +E 3 104 GLN 104 104 104 GLN GLN A . n +E 3 105 LEU 105 105 105 LEU LEU A . n +E 3 106 ILE 106 106 106 ILE ILE A . n +E 3 107 GLN 107 107 107 GLN GLN A . n +E 3 108 VAL 108 108 108 VAL VAL A . n +E 3 109 ASN 109 109 109 ASN ASN A . n +E 3 110 PRO 110 110 110 PRO PRO A . n +E 3 111 ASP 111 111 111 ASP ASP A . n +E 3 112 ILE 112 112 112 ILE ILE A . n +E 3 113 LEU 113 113 113 LEU LEU A . n +E 3 114 MET 114 114 114 MET MET A . n +E 3 115 ARG 115 115 115 ARG ARG A . n +E 3 116 LEU 116 116 116 LEU LEU A . n +E 3 117 SER 117 117 117 SER SER A . n +E 3 118 ALA 118 118 118 ALA ALA A . n +E 3 119 GLN 119 119 119 GLN GLN A . n +E 3 120 MET 120 120 120 MET MET A . n +E 3 121 ALA 121 121 121 ALA ALA A . n +E 3 122 ARG 122 122 122 ARG ARG A . n +E 3 123 ARG 123 123 123 ARG ARG A . n +E 3 124 LEU 124 124 124 LEU LEU A . n +E 3 125 GLN 125 125 125 GLN GLN A . n +E 3 126 VAL 126 126 126 VAL VAL A . n +E 3 127 THR 127 127 127 THR THR A . n +E 3 128 SER 128 128 128 SER SER A . n +E 3 129 GLU 129 129 129 GLU GLU A . n +E 3 130 LYS 130 130 130 LYS LYS A . n +E 3 131 VAL 131 131 131 VAL VAL A . n +E 3 132 GLY 132 132 132 GLY GLY A . n +E 3 133 ASN 133 133 133 ASN ASN A . n +E 3 134 LEU 134 134 134 LEU LEU A . n +E 3 135 ALA 135 135 135 ALA ALA A . n +E 3 136 PHE 136 136 136 PHE PHE A . n +E 3 137 LEU 137 137 137 LEU LEU A . n +E 3 138 ASP 138 138 138 ASP ASP A . n +E 3 139 VAL 139 139 139 VAL VAL A . n +E 3 140 THR 140 140 140 THR THR A . n +E 3 141 GLY 141 141 141 GLY GLY A . n +E 3 142 ARG 142 142 142 ARG ARG A . n +E 3 143 ILE 143 143 143 ILE ILE A . n +E 3 144 ALA 144 144 144 ALA ALA A . n +E 3 145 GLN 145 145 145 GLN GLN A . n +E 3 146 THR 146 146 146 THR THR A . n +E 3 147 LEU 147 147 147 LEU LEU A . n +E 3 148 LEU 148 148 148 LEU LEU A . n +E 3 149 ASN 149 149 149 ASN ASN A . n +E 3 150 LEU 150 150 150 LEU LEU A . n +E 3 151 ALA 151 151 151 ALA ALA A . n +E 3 152 LYS 152 152 152 LYS LYS A . n +E 3 153 GLN 153 153 153 GLN GLN A . n +E 3 154 PRO 154 154 154 PRO PRO A . n +E 3 155 ASP 155 155 155 ASP ASP A . n +E 3 156 ALA 156 156 156 ALA ALA A . n +E 3 157 MET 157 157 157 MET MET A . n +E 3 158 THR 158 158 158 THR THR A . n +E 3 159 HIS 159 159 159 HIS HIS A . n +E 3 160 PRO 160 160 160 PRO PRO A . n +E 3 161 ASP 161 161 161 ASP ASP A . n +E 3 162 GLY 162 162 162 GLY GLY A . n +E 3 163 MET 163 163 163 MET MET A . n +E 3 164 GLN 164 164 164 GLN GLN A . n +E 3 165 ILE 165 165 165 ILE ILE A . n +E 3 166 LYS 166 166 166 LYS LYS A . n +E 3 167 ILE 167 167 167 ILE ILE A . n +E 3 168 THR 168 168 168 THR THR A . n +E 3 169 ARG 169 169 169 ARG ARG A . n +E 3 170 GLN 170 170 170 GLN GLN A . n +E 3 171 GLU 171 171 171 GLU GLU A . n +E 3 172 ILE 172 172 172 ILE ILE A . n +E 3 173 GLY 173 173 173 GLY GLY A . n +E 3 174 GLN 174 174 174 GLN GLN A . n +E 3 175 ILE 175 175 175 ILE ILE A . n +E 3 176 VAL 176 176 176 VAL VAL A . n +E 3 177 GLY 177 177 177 GLY GLY A . n +E 3 178 CYS 178 178 178 CYS CYS A . n +E 3 179 SER 179 179 179 SER SER A . n +E 3 180 ARG 180 180 180 ARG ARG A . n +E 3 181 GLU 181 181 181 GLU GLU A . n +E 3 182 THR 182 182 182 THR THR A . n +E 3 183 VAL 183 183 183 VAL VAL A . n +E 3 184 GLY 184 184 184 GLY GLY A . n +E 3 185 ARG 185 185 185 ARG ARG A . n +E 3 186 ILE 186 186 186 ILE ILE A . n +E 3 187 LEU 187 187 187 LEU LEU A . n +E 3 188 LYS 188 188 188 LYS LYS A . n +E 3 189 MET 189 189 189 MET MET A . n +E 3 190 LEU 190 190 190 LEU LEU A . n +E 3 191 GLU 191 191 191 GLU GLU A . n +E 3 192 ASP 192 192 192 ASP ASP A . n +E 3 193 GLN 193 193 193 GLN GLN A . n +E 3 194 ASN 194 194 194 ASN ASN A . n +E 3 195 LEU 195 195 195 LEU LEU A . n +E 3 196 ILE 196 196 196 ILE ILE A . n +E 3 197 SER 197 197 197 SER SER A . n +E 3 198 ALA 198 198 198 ALA ALA A . n +E 3 199 HIS 199 199 199 HIS HIS A . n +E 3 200 GLY 200 200 200 GLY GLY A . n +E 3 201 LYS 201 201 201 LYS LYS A . n +E 3 202 THR 202 202 202 THR THR A . n +E 3 203 ILE 203 203 203 ILE ILE A . n +E 3 204 VAL 204 204 204 VAL VAL A . n +E 3 205 VAL 205 205 205 VAL VAL A . n +E 3 206 TYR 206 206 206 TYR TYR A . n +E 3 207 GLY 207 207 207 GLY GLY A . n +E 3 208 THR 208 208 . . . A . n +E 3 209 ARG 209 209 . . . A . n +F 3 1 VAL 1 1 . . . B . n +F 3 2 LEU 2 2 . . . B . n +F 3 3 GLY 3 3 . . . B . n +F 3 4 LYS 4 4 . . . B . n +F 3 5 PRO 5 5 . . . B . n +F 3 6 GLN 6 6 . . . B . n +F 3 7 THR 7 7 . . . B . n +F 3 8 ASP 8 8 . . . B . n +F 3 9 PRO 9 9 9 PRO PRO B . n +F 3 10 THR 10 10 10 THR THR B . n +F 3 11 LEU 11 11 11 LEU LEU B . n +F 3 12 GLU 12 12 12 GLU GLU B . n +F 3 13 TRP 13 13 13 TRP TRP B . n +F 3 14 PHE 14 14 14 PHE PHE B . n +F 3 15 LEU 15 15 15 LEU LEU B . n +F 3 16 SER 16 16 16 SER SER B . n +F 3 17 HIS 17 17 17 HIS HIS B . n +F 3 18 CYS 18 18 18 CYS CYS B . n +F 3 19 HIS 19 19 19 HIS HIS B . n +F 3 20 ILE 20 20 20 ILE ILE B . n +F 3 21 HIS 21 21 21 HIS HIS B . n +F 3 22 LYS 22 22 22 LYS LYS B . n +F 3 23 TYR 23 23 23 TYR TYR B . n +F 3 24 PRO 24 24 24 PRO PRO B . n +F 3 25 SER 25 25 25 SER SER B . n +F 3 26 LYS 26 26 26 LYS LYS B . n +F 3 27 SER 27 27 27 SER SER B . n +F 3 28 THR 28 28 28 THR THR B . n +F 3 29 LEU 29 29 29 LEU LEU B . n +F 3 30 ILE 30 30 30 ILE ILE B . n +F 3 31 HIS 31 31 31 HIS HIS B . n +F 3 32 GLN 32 32 32 GLN GLN B . n +F 3 33 GLY 33 33 33 GLY GLY B . n +F 3 34 GLU 34 34 34 GLU GLU B . n +F 3 35 LYS 35 35 35 LYS LYS B . n +F 3 36 ALA 36 36 36 ALA ALA B . n +F 3 37 GLU 37 37 37 GLU GLU B . n +F 3 38 THR 38 38 38 THR THR B . n +F 3 39 LEU 39 39 39 LEU LEU B . n +F 3 40 TYR 40 40 40 TYR TYR B . n +F 3 41 TYR 41 41 41 TYR TYR B . n +F 3 42 ILE 42 42 42 ILE ILE B . n +F 3 43 VAL 43 43 43 VAL VAL B . n +F 3 44 LYS 44 44 44 LYS LYS B . n +F 3 45 GLY 45 45 45 GLY GLY B . n +F 3 46 SER 46 46 46 SER SER B . n +F 3 47 VAL 47 47 47 VAL VAL B . n +F 3 48 ALA 48 48 48 ALA ALA B . n +F 3 49 VAL 49 49 49 VAL VAL B . n +F 3 50 LEU 50 50 50 LEU LEU B . n +F 3 51 ILE 51 51 51 ILE ILE B . n +F 3 52 LYS 52 52 52 LYS LYS B . n +F 3 53 ASP 53 53 53 ASP ASP B . n +F 3 54 GLU 54 54 54 GLU GLU B . n +F 3 55 GLU 55 55 55 GLU GLU B . n +F 3 56 GLY 56 56 56 GLY GLY B . n +F 3 57 LYS 57 57 57 LYS LYS B . n +F 3 58 GLU 58 58 58 GLU GLU B . n +F 3 59 MET 59 59 59 MET MET B . n +F 3 60 ILE 60 60 60 ILE ILE B . n +F 3 61 LEU 61 61 61 LEU LEU B . n +F 3 62 SER 62 62 62 SER SER B . n +F 3 63 TYR 63 63 63 TYR TYR B . n +F 3 64 LEU 64 64 64 LEU LEU B . n +F 3 65 ASN 65 65 65 ASN ASN B . n +F 3 66 GLN 66 66 66 GLN GLN B . n +F 3 67 GLY 67 67 67 GLY GLY B . n +F 3 68 ASP 68 68 68 ASP ASP B . n +F 3 69 PHE 69 69 69 PHE PHE B . n +F 3 70 ILE 70 70 70 ILE ILE B . n +F 3 71 GLY 71 71 71 GLY GLY B . n +F 3 72 GLU 72 72 72 GLU GLU B . n +F 3 73 LEU 73 73 73 LEU LEU B . n +F 3 74 GLY 74 74 74 GLY GLY B . n +F 3 75 LEU 75 75 75 LEU LEU B . n +F 3 76 PHE 76 76 76 PHE PHE B . n +F 3 77 GLU 77 77 77 GLU GLU B . n +F 3 78 GLU 78 78 78 GLU GLU B . n +F 3 79 GLY 79 79 79 GLY GLY B . n +F 3 80 GLN 80 80 80 GLN GLN B . n +F 3 81 GLU 81 81 81 GLU GLU B . n +F 3 82 ARG 82 82 82 ARG ARG B . n +F 3 83 SER 83 83 83 SER SER B . n +F 3 84 ALA 84 84 84 ALA ALA B . n +F 3 85 TRP 85 85 85 TRP TRP B . n +F 3 86 VAL 86 86 86 VAL VAL B . n +F 3 87 ARG 87 87 87 ARG ARG B . n +F 3 88 ALA 88 88 88 ALA ALA B . n +F 3 89 LYS 89 89 89 LYS LYS B . n +F 3 90 THR 90 90 90 THR THR B . n +F 3 91 ALA 91 91 91 ALA ALA B . n +F 3 92 CYS 92 92 92 CYS CYS B . n +F 3 93 GLU 93 93 93 GLU GLU B . n +F 3 94 VAL 94 94 94 VAL VAL B . n +F 3 95 ALA 95 95 95 ALA ALA B . n +F 3 96 GLU 96 96 96 GLU GLU B . n +F 3 97 ILE 97 97 97 ILE ILE B . n +F 3 98 SER 98 98 98 SER SER B . n +F 3 99 TYR 99 99 99 TYR TYR B . n +F 3 100 LYS 100 100 100 LYS LYS B . n +F 3 101 LYS 101 101 101 LYS LYS B . n +F 3 102 PHE 102 102 102 PHE PHE B . n +F 3 103 ARG 103 103 103 ARG ARG B . n +F 3 104 GLN 104 104 104 GLN GLN B . n +F 3 105 LEU 105 105 105 LEU LEU B . n +F 3 106 ILE 106 106 106 ILE ILE B . n +F 3 107 GLN 107 107 107 GLN GLN B . n +F 3 108 VAL 108 108 108 VAL VAL B . n +F 3 109 ASN 109 109 109 ASN ASN B . n +F 3 110 PRO 110 110 110 PRO PRO B . n +F 3 111 ASP 111 111 111 ASP ASP B . n +F 3 112 ILE 112 112 112 ILE ILE B . n +F 3 113 LEU 113 113 113 LEU LEU B . n +F 3 114 MET 114 114 114 MET MET B . n +F 3 115 ARG 115 115 115 ARG ARG B . n +F 3 116 LEU 116 116 116 LEU LEU B . n +F 3 117 SER 117 117 117 SER SER B . n +F 3 118 ALA 118 118 118 ALA ALA B . n +F 3 119 GLN 119 119 119 GLN GLN B . n +F 3 120 MET 120 120 120 MET MET B . n +F 3 121 ALA 121 121 121 ALA ALA B . n +F 3 122 ARG 122 122 122 ARG ARG B . n +F 3 123 ARG 123 123 123 ARG ARG B . n +F 3 124 LEU 124 124 124 LEU LEU B . n +F 3 125 GLN 125 125 125 GLN GLN B . n +F 3 126 VAL 126 126 126 VAL VAL B . n +F 3 127 THR 127 127 127 THR THR B . n +F 3 128 SER 128 128 128 SER SER B . n +F 3 129 GLU 129 129 129 GLU GLU B . n +F 3 130 LYS 130 130 130 LYS LYS B . n +F 3 131 VAL 131 131 131 VAL VAL B . n +F 3 132 GLY 132 132 132 GLY GLY B . n +F 3 133 ASN 133 133 133 ASN ASN B . n +F 3 134 LEU 134 134 134 LEU LEU B . n +F 3 135 ALA 135 135 135 ALA ALA B . n +F 3 136 PHE 136 136 136 PHE PHE B . n +F 3 137 LEU 137 137 137 LEU LEU B . n +F 3 138 ASP 138 138 138 ASP ASP B . n +F 3 139 VAL 139 139 139 VAL VAL B . n +F 3 140 THR 140 140 140 THR THR B . n +F 3 141 GLY 141 141 141 GLY GLY B . n +F 3 142 ARG 142 142 142 ARG ARG B . n +F 3 143 ILE 143 143 143 ILE ILE B . n +F 3 144 ALA 144 144 144 ALA ALA B . n +F 3 145 GLN 145 145 145 GLN GLN B . n +F 3 146 THR 146 146 146 THR THR B . n +F 3 147 LEU 147 147 147 LEU LEU B . n +F 3 148 LEU 148 148 148 LEU LEU B . n +F 3 149 ASN 149 149 149 ASN ASN B . n +F 3 150 LEU 150 150 150 LEU LEU B . n +F 3 151 ALA 151 151 151 ALA ALA B . n +F 3 152 LYS 152 152 152 LYS LYS B . n +F 3 153 GLN 153 153 153 GLN GLN B . n +F 3 154 PRO 154 154 154 PRO PRO B . n +F 3 155 ASP 155 155 155 ASP ASP B . n +F 3 156 ALA 156 156 156 ALA ALA B . n +F 3 157 MET 157 157 157 MET MET B . n +F 3 158 THR 158 158 158 THR THR B . n +F 3 159 HIS 159 159 159 HIS HIS B . n +F 3 160 PRO 160 160 160 PRO PRO B . n +F 3 161 ASP 161 161 161 ASP ASP B . n +F 3 162 GLY 162 162 162 GLY GLY B . n +F 3 163 MET 163 163 163 MET MET B . n +F 3 164 GLN 164 164 164 GLN GLN B . n +F 3 165 ILE 165 165 165 ILE ILE B . n +F 3 166 LYS 166 166 166 LYS LYS B . n +F 3 167 ILE 167 167 167 ILE ILE B . n +F 3 168 THR 168 168 168 THR THR B . n +F 3 169 ARG 169 169 169 ARG ARG B . n +F 3 170 GLN 170 170 170 GLN GLN B . n +F 3 171 GLU 171 171 171 GLU GLU B . n +F 3 172 ILE 172 172 172 ILE ILE B . n +F 3 173 GLY 173 173 173 GLY GLY B . n +F 3 174 GLN 174 174 174 GLN GLN B . n +F 3 175 ILE 175 175 175 ILE ILE B . n +F 3 176 VAL 176 176 176 VAL VAL B . n +F 3 177 GLY 177 177 177 GLY GLY B . n +F 3 178 CYS 178 178 178 CYS CYS B . n +F 3 179 SER 179 179 179 SER SER B . n +F 3 180 ARG 180 180 180 ARG ARG B . n +F 3 181 GLU 181 181 181 GLU GLU B . n +F 3 182 THR 182 182 182 THR THR B . n +F 3 183 VAL 183 183 183 VAL VAL B . n +F 3 184 GLY 184 184 184 GLY GLY B . n +F 3 185 ARG 185 185 185 ARG ARG B . n +F 3 186 ILE 186 186 186 ILE ILE B . n +F 3 187 LEU 187 187 187 LEU LEU B . n +F 3 188 LYS 188 188 188 LYS LYS B . n +F 3 189 MET 189 189 189 MET MET B . n +F 3 190 LEU 190 190 190 LEU LEU B . n +F 3 191 GLU 191 191 191 GLU GLU B . n +F 3 192 ASP 192 192 192 ASP ASP B . n +F 3 193 GLN 193 193 193 GLN GLN B . n +F 3 194 ASN 194 194 194 ASN ASN B . n +F 3 195 LEU 195 195 195 LEU LEU B . n +F 3 196 ILE 196 196 196 ILE ILE B . n +F 3 197 SER 197 197 197 SER SER B . n +F 3 198 ALA 198 198 198 ALA ALA B . n +F 3 199 HIS 199 199 199 HIS HIS B . n +F 3 200 GLY 200 200 200 GLY GLY B . n +F 3 201 LYS 201 201 201 LYS LYS B . n +F 3 202 THR 202 202 202 THR THR B . n +F 3 203 ILE 203 203 203 ILE ILE B . n +F 3 204 VAL 204 204 204 VAL VAL B . n +F 3 205 VAL 205 205 205 VAL VAL B . n +F 3 206 TYR 206 206 . . . B . n +F 3 207 GLY 207 207 . . . B . n +F 3 208 THR 208 208 . . . B . n +F 3 209 ARG 209 209 . . . B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +G 4 CMP A 1 762 762 CMP CMP . +H 4 CMP B 1 761 761 CMP CMP . +I 5 HOH C 1 497 497 HOH HOH . +I 5 HOH C 2 498 498 HOH HOH . +I 5 HOH C 3 499 499 HOH HOH . +I 5 HOH C 4 500 500 HOH HOH . +I 5 HOH C 5 502 502 HOH HOH . +I 5 HOH C 6 505 505 HOH HOH . +I 5 HOH C 7 506 506 HOH HOH . +I 5 HOH C 8 511 511 HOH HOH . +I 5 HOH C 9 545 545 HOH HOH . +I 5 HOH C 10 546 546 HOH HOH . +I 5 HOH C 11 561 561 HOH HOH . +I 5 HOH C 12 562 562 HOH HOH . +I 5 HOH C 13 565 565 HOH HOH . +I 5 HOH C 14 568 568 HOH HOH . +I 5 HOH C 15 569 569 HOH HOH . +I 5 HOH C 16 572 572 HOH HOH . +I 5 HOH C 17 573 573 HOH HOH . +I 5 HOH C 18 574 574 HOH HOH . +I 5 HOH C 19 576 576 HOH HOH . +I 5 HOH C 20 593 593 HOH HOH . +I 5 HOH C 21 594 594 HOH HOH . +I 5 HOH C 22 595 595 HOH HOH . +I 5 HOH C 23 597 597 HOH HOH . +I 5 HOH C 24 598 598 HOH HOH . +I 5 HOH C 25 600 600 HOH HOH . +I 5 HOH C 26 609 609 HOH HOH . +I 5 HOH C 27 612 612 HOH HOH . +I 5 HOH C 28 631 631 HOH HOH . +I 5 HOH C 29 635 635 HOH HOH . +I 5 HOH C 30 636 636 HOH HOH . +I 5 HOH C 31 645 645 HOH HOH . +I 5 HOH C 32 652 652 HOH HOH . +I 5 HOH C 33 655 655 HOH HOH . +I 5 HOH C 34 656 656 HOH HOH . +I 5 HOH C 35 659 659 HOH HOH . +I 5 HOH C 36 660 660 HOH HOH . +I 5 HOH C 37 672 672 HOH HOH . +I 5 HOH C 38 677 677 HOH HOH . +I 5 HOH C 39 692 692 HOH HOH . +I 5 HOH C 40 699 699 HOH HOH . +I 5 HOH C 41 700 700 HOH HOH . +I 5 HOH C 42 701 701 HOH HOH . +I 5 HOH C 43 702 702 HOH HOH . +I 5 HOH C 44 706 706 HOH HOH . +I 5 HOH C 45 707 707 HOH HOH . +I 5 HOH C 46 708 708 HOH HOH . +I 5 HOH C 47 709 709 HOH HOH . +I 5 HOH C 48 710 710 HOH HOH . +I 5 HOH C 49 715 715 HOH HOH . +I 5 HOH C 50 724 724 HOH HOH . +J 5 HOH D 1 475 475 HOH HOH . +J 5 HOH D 2 476 476 HOH HOH . +J 5 HOH D 3 477 477 HOH HOH . +J 5 HOH D 4 478 478 HOH HOH . +J 5 HOH D 5 479 479 HOH HOH . +J 5 HOH D 6 480 480 HOH HOH . +J 5 HOH D 7 481 481 HOH HOH . +J 5 HOH D 8 482 482 HOH HOH . +J 5 HOH D 9 485 485 HOH HOH . +J 5 HOH D 10 486 486 HOH HOH . +J 5 HOH D 11 489 489 HOH HOH . +J 5 HOH D 12 490 490 HOH HOH . +J 5 HOH D 13 493 493 HOH HOH . +J 5 HOH D 14 512 512 HOH HOH . +J 5 HOH D 15 517 517 HOH HOH . +J 5 HOH D 16 518 518 HOH HOH . +J 5 HOH D 17 524 524 HOH HOH . +J 5 HOH D 18 525 525 HOH HOH . +J 5 HOH D 19 529 529 HOH HOH . +J 5 HOH D 20 530 530 HOH HOH . +J 5 HOH D 21 533 533 HOH HOH . +J 5 HOH D 22 534 534 HOH HOH . +J 5 HOH D 23 535 535 HOH HOH . +J 5 HOH D 24 538 538 HOH HOH . +J 5 HOH D 25 539 539 HOH HOH . +J 5 HOH D 26 540 540 HOH HOH . +J 5 HOH D 27 547 547 HOH HOH . +J 5 HOH D 28 548 548 HOH HOH . +J 5 HOH D 29 549 549 HOH HOH . +J 5 HOH D 30 550 550 HOH HOH . +J 5 HOH D 31 551 551 HOH HOH . +J 5 HOH D 32 552 552 HOH HOH . +J 5 HOH D 33 553 553 HOH HOH . +J 5 HOH D 34 554 554 HOH HOH . +J 5 HOH D 35 556 556 HOH HOH . +J 5 HOH D 36 557 557 HOH HOH . +J 5 HOH D 37 558 558 HOH HOH . +J 5 HOH D 38 567 567 HOH HOH . +J 5 HOH D 39 582 582 HOH HOH . +J 5 HOH D 40 584 584 HOH HOH . +J 5 HOH D 41 585 585 HOH HOH . +J 5 HOH D 42 586 586 HOH HOH . +J 5 HOH D 43 587 587 HOH HOH . +J 5 HOH D 44 588 588 HOH HOH . +J 5 HOH D 45 591 591 HOH HOH . +J 5 HOH D 46 601 601 HOH HOH . +J 5 HOH D 47 607 607 HOH HOH . +J 5 HOH D 48 617 617 HOH HOH . +J 5 HOH D 49 621 621 HOH HOH . +J 5 HOH D 50 622 622 HOH HOH . +J 5 HOH D 51 624 624 HOH HOH . +J 5 HOH D 52 626 626 HOH HOH . +J 5 HOH D 53 633 633 HOH HOH . +J 5 HOH D 54 642 642 HOH HOH . +J 5 HOH D 55 643 643 HOH HOH . +J 5 HOH D 56 644 644 HOH HOH . +J 5 HOH D 57 666 666 HOH HOH . +J 5 HOH D 58 667 667 HOH HOH . +J 5 HOH D 59 668 668 HOH HOH . +J 5 HOH D 60 669 669 HOH HOH . +J 5 HOH D 61 683 683 HOH HOH . +J 5 HOH D 62 695 695 HOH HOH . +J 5 HOH D 63 696 696 HOH HOH . +J 5 HOH D 64 697 697 HOH HOH . +J 5 HOH D 65 713 713 HOH HOH . +J 5 HOH D 66 714 714 HOH HOH . +J 5 HOH D 67 742 742 HOH HOH . +J 5 HOH D 68 749 749 HOH HOH . +J 5 HOH D 69 752 752 HOH HOH . +J 5 HOH D 70 753 753 HOH HOH . +J 5 HOH D 71 755 755 HOH HOH . +K 5 HOH E 1 483 483 HOH HOH . +K 5 HOH E 2 484 484 HOH HOH . +K 5 HOH E 3 487 487 HOH HOH . +K 5 HOH E 4 488 488 HOH HOH . +K 5 HOH E 5 515 515 HOH HOH . +K 5 HOH E 6 516 516 HOH HOH . +K 5 HOH E 7 519 519 HOH HOH . +K 5 HOH E 8 520 520 HOH HOH . +K 5 HOH E 9 521 521 HOH HOH . +K 5 HOH E 10 531 531 HOH HOH . +K 5 HOH E 11 536 536 HOH HOH . +K 5 HOH E 12 537 537 HOH HOH . +K 5 HOH E 13 543 543 HOH HOH . +K 5 HOH E 14 544 544 HOH HOH . +K 5 HOH E 15 566 566 HOH HOH . +K 5 HOH E 16 570 570 HOH HOH . +K 5 HOH E 17 571 571 HOH HOH . +K 5 HOH E 18 577 577 HOH HOH . +K 5 HOH E 19 578 578 HOH HOH . +K 5 HOH E 20 579 579 HOH HOH . +K 5 HOH E 21 580 580 HOH HOH . +K 5 HOH E 22 581 581 HOH HOH . +K 5 HOH E 23 583 583 HOH HOH . +K 5 HOH E 24 590 590 HOH HOH . +K 5 HOH E 25 604 604 HOH HOH . +K 5 HOH E 26 605 605 HOH HOH . +K 5 HOH E 27 606 606 HOH HOH . +K 5 HOH E 28 618 618 HOH HOH . +K 5 HOH E 29 619 619 HOH HOH . +K 5 HOH E 30 620 620 HOH HOH . +K 5 HOH E 31 623 623 HOH HOH . +K 5 HOH E 32 625 625 HOH HOH . +K 5 HOH E 33 639 639 HOH HOH . +K 5 HOH E 34 640 640 HOH HOH . +K 5 HOH E 35 641 641 HOH HOH . +K 5 HOH E 36 646 646 HOH HOH . +K 5 HOH E 37 647 647 HOH HOH . +K 5 HOH E 38 684 684 HOH HOH . +K 5 HOH E 39 685 685 HOH HOH . +K 5 HOH E 40 686 686 HOH HOH . +K 5 HOH E 41 687 687 HOH HOH . +K 5 HOH E 42 688 688 HOH HOH . +K 5 HOH E 43 743 743 HOH HOH . +K 5 HOH E 44 750 750 HOH HOH . +K 5 HOH E 45 751 751 HOH HOH . +K 5 HOH E 46 754 754 HOH HOH . +K 5 HOH E 47 756 756 HOH HOH . +L 5 HOH F 1 491 491 HOH HOH . +L 5 HOH F 2 492 492 HOH HOH . +L 5 HOH F 3 494 494 HOH HOH . +L 5 HOH F 4 495 495 HOH HOH . +L 5 HOH F 5 496 496 HOH HOH . +L 5 HOH F 6 501 501 HOH HOH . +L 5 HOH F 7 503 503 HOH HOH . +L 5 HOH F 8 504 504 HOH HOH . +L 5 HOH F 9 507 507 HOH HOH . +L 5 HOH F 10 508 508 HOH HOH . +L 5 HOH F 11 509 509 HOH HOH . +L 5 HOH F 12 510 510 HOH HOH . +L 5 HOH F 13 513 513 HOH HOH . +L 5 HOH F 14 514 514 HOH HOH . +L 5 HOH F 15 522 522 HOH HOH . +L 5 HOH F 16 523 523 HOH HOH . +L 5 HOH F 17 526 526 HOH HOH . +L 5 HOH F 18 527 527 HOH HOH . +L 5 HOH F 19 528 528 HOH HOH . +L 5 HOH F 20 541 541 HOH HOH . +L 5 HOH F 21 542 542 HOH HOH . +L 5 HOH F 22 559 559 HOH HOH . +L 5 HOH F 23 560 560 HOH HOH . +L 5 HOH F 24 563 563 HOH HOH . +L 5 HOH F 25 564 564 HOH HOH . +L 5 HOH F 26 575 575 HOH HOH . +L 5 HOH F 27 589 589 HOH HOH . +L 5 HOH F 28 592 592 HOH HOH . +L 5 HOH F 29 596 596 HOH HOH . +L 5 HOH F 30 599 599 HOH HOH . +L 5 HOH F 31 602 602 HOH HOH . +L 5 HOH F 32 603 603 HOH HOH . +L 5 HOH F 33 608 608 HOH HOH . +L 5 HOH F 34 610 610 HOH HOH . +L 5 HOH F 35 613 613 HOH HOH . +L 5 HOH F 36 614 614 HOH HOH . +L 5 HOH F 37 615 615 HOH HOH . +L 5 HOH F 38 616 616 HOH HOH . +L 5 HOH F 39 627 627 HOH HOH . +L 5 HOH F 40 628 628 HOH HOH . +L 5 HOH F 41 629 629 HOH HOH . +L 5 HOH F 42 630 630 HOH HOH . +L 5 HOH F 43 632 632 HOH HOH . +L 5 HOH F 44 634 634 HOH HOH . +L 5 HOH F 45 637 637 HOH HOH . +L 5 HOH F 46 648 648 HOH HOH . +L 5 HOH F 47 649 649 HOH HOH . +L 5 HOH F 48 650 650 HOH HOH . +L 5 HOH F 49 651 651 HOH HOH . +L 5 HOH F 50 653 653 HOH HOH . +L 5 HOH F 51 658 658 HOH HOH . +L 5 HOH F 52 661 661 HOH HOH . +L 5 HOH F 53 662 662 HOH HOH . +L 5 HOH F 54 663 663 HOH HOH . +L 5 HOH F 55 670 670 HOH HOH . +L 5 HOH F 56 671 671 HOH HOH . +L 5 HOH F 57 673 673 HOH HOH . +L 5 HOH F 58 674 674 HOH HOH . +L 5 HOH F 59 675 675 HOH HOH . +L 5 HOH F 60 676 676 HOH HOH . +L 5 HOH F 61 678 678 HOH HOH . +L 5 HOH F 62 679 679 HOH HOH . +L 5 HOH F 63 681 681 HOH HOH . +L 5 HOH F 64 682 682 HOH HOH . +L 5 HOH F 65 689 689 HOH HOH . +L 5 HOH F 66 690 690 HOH HOH . +L 5 HOH F 67 691 691 HOH HOH . +L 5 HOH F 68 693 693 HOH HOH . +L 5 HOH F 69 703 703 HOH HOH . +L 5 HOH F 70 704 704 HOH HOH . +L 5 HOH F 71 711 711 HOH HOH . +L 5 HOH F 72 712 712 HOH HOH . +L 5 HOH F 73 716 716 HOH HOH . +L 5 HOH F 74 718 718 HOH HOH . +L 5 HOH F 75 748 748 HOH HOH . +M 5 HOH A 1 611 611 HOH HOH . +M 5 HOH A 2 654 654 HOH HOH . +M 5 HOH A 3 657 657 HOH HOH . +M 5 HOH A 4 705 705 HOH HOH . +M 5 HOH A 5 717 717 HOH HOH . +M 5 HOH A 6 719 719 HOH HOH . +M 5 HOH A 7 720 720 HOH HOH . +M 5 HOH A 8 721 721 HOH HOH . +M 5 HOH A 9 722 722 HOH HOH . +M 5 HOH A 10 723 723 HOH HOH . +M 5 HOH A 11 725 725 HOH HOH . +M 5 HOH A 12 726 726 HOH HOH . +M 5 HOH A 13 734 734 HOH HOH . +M 5 HOH A 14 735 735 HOH HOH . +M 5 HOH A 15 736 736 HOH HOH . +M 5 HOH A 16 737 737 HOH HOH . +M 5 HOH A 17 738 738 HOH HOH . +M 5 HOH A 18 744 744 HOH HOH . +M 5 HOH A 19 745 745 HOH HOH . +M 5 HOH A 20 746 746 HOH HOH . +M 5 HOH A 21 747 747 HOH HOH . +N 5 HOH B 1 532 532 HOH HOH . +N 5 HOH B 2 555 555 HOH HOH . +N 5 HOH B 3 638 638 HOH HOH . +N 5 HOH B 4 664 664 HOH HOH . +N 5 HOH B 5 665 665 HOH HOH . +N 5 HOH B 6 680 680 HOH HOH . +N 5 HOH B 7 694 694 HOH HOH . +N 5 HOH B 8 698 698 HOH HOH . +N 5 HOH B 9 727 727 HOH HOH . +N 5 HOH B 10 728 728 HOH HOH . +N 5 HOH B 11 729 729 HOH HOH . +N 5 HOH B 12 730 730 HOH HOH . +N 5 HOH B 13 731 731 HOH HOH . +N 5 HOH B 14 732 732 HOH HOH . +N 5 HOH B 15 733 733 HOH HOH . +N 5 HOH B 16 739 739 HOH HOH . +N 5 HOH B 17 740 740 HOH HOH . +N 5 HOH B 18 741 741 HOH HOH . +N 5 HOH B 19 757 757 HOH HOH . +N 5 HOH B 20 758 758 HOH HOH . +N 5 HOH B 21 759 759 HOH HOH . +N 5 HOH B 22 760 760 HOH HOH . +# +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details hexameric +_pdbx_struct_assembly.oligomeric_count 6 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1 +_pdbx_struct_oper_list.matrix[1][2] 0 +_pdbx_struct_oper_list.matrix[1][3] 0 +_pdbx_struct_oper_list.matrix[2][1] 0 +_pdbx_struct_oper_list.matrix[2][2] 1 +_pdbx_struct_oper_list.matrix[2][3] 0 +_pdbx_struct_oper_list.matrix[3][1] 0 +_pdbx_struct_oper_list.matrix[3][2] 0 +_pdbx_struct_oper_list.matrix[3][3] 1 +_pdbx_struct_oper_list.vector[1] 0 +_pdbx_struct_oper_list.vector[2] 0 +_pdbx_struct_oper_list.vector[3] 0 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2002-03-01 +2 'Structure model' 1 1 2008-04-26 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-10-04 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Refinement description' +# +_pdbx_audit_revision_category.ordinal 1 +_pdbx_audit_revision_category.revision_ordinal 4 +_pdbx_audit_revision_category.data_content_type 'Structure model' +_pdbx_audit_revision_category.category software +# +_software.classification refinement +_software.date . +_software.description . +_software.name X-PLOR +_software.type . +_software.version . +_software.pdbx_ordinal 1 +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 N A LYS 166 . . O A HOH 720 . . 1.97 +2 1 CA B GLY 200 . . O B HOH 532 . . 2 +3 1 C A ILE 165 . . O A HOH 720 . . 2.07 +# +loop_ +_pdbx_validate_rmsd_bond.id +_pdbx_validate_rmsd_bond.PDB_model_num +_pdbx_validate_rmsd_bond.auth_atom_id_1 +_pdbx_validate_rmsd_bond.auth_asym_id_1 +_pdbx_validate_rmsd_bond.auth_comp_id_1 +_pdbx_validate_rmsd_bond.auth_seq_id_1 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 +_pdbx_validate_rmsd_bond.label_alt_id_1 +_pdbx_validate_rmsd_bond.auth_atom_id_2 +_pdbx_validate_rmsd_bond.auth_asym_id_2 +_pdbx_validate_rmsd_bond.auth_comp_id_2 +_pdbx_validate_rmsd_bond.auth_seq_id_2 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 +_pdbx_validate_rmsd_bond.label_alt_id_2 +_pdbx_validate_rmsd_bond.bond_value +_pdbx_validate_rmsd_bond.bond_target_value +_pdbx_validate_rmsd_bond.bond_deviation +_pdbx_validate_rmsd_bond.bond_standard_deviation +_pdbx_validate_rmsd_bond.linker_flag +1 1 C6 C DG 3 . . O6 C DG 3 . . 1.293 1.237 0.056 0.009 N +2 1 C4 F DT 1 . . C5 F DT 1 . . 1.501 1.445 0.056 0.009 N +# +loop_ +_pdbx_validate_rmsd_angle.id +_pdbx_validate_rmsd_angle.PDB_model_num +_pdbx_validate_rmsd_angle.auth_atom_id_1 +_pdbx_validate_rmsd_angle.auth_asym_id_1 +_pdbx_validate_rmsd_angle.auth_comp_id_1 +_pdbx_validate_rmsd_angle.auth_seq_id_1 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 +_pdbx_validate_rmsd_angle.label_alt_id_1 +_pdbx_validate_rmsd_angle.auth_atom_id_2 +_pdbx_validate_rmsd_angle.auth_asym_id_2 +_pdbx_validate_rmsd_angle.auth_comp_id_2 +_pdbx_validate_rmsd_angle.auth_seq_id_2 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 +_pdbx_validate_rmsd_angle.label_alt_id_2 +_pdbx_validate_rmsd_angle.auth_atom_id_3 +_pdbx_validate_rmsd_angle.auth_asym_id_3 +_pdbx_validate_rmsd_angle.auth_comp_id_3 +_pdbx_validate_rmsd_angle.auth_seq_id_3 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 +_pdbx_validate_rmsd_angle.label_alt_id_3 +_pdbx_validate_rmsd_angle.angle_value +_pdbx_validate_rmsd_angle.angle_target_value +_pdbx_validate_rmsd_angle.angle_deviation +_pdbx_validate_rmsd_angle.angle_standard_deviation +_pdbx_validate_rmsd_angle.linker_flag +1 1 "O3'" C DA 2 . . P C DG 3 . . OP2 C DG 3 . . 117.7 110.5 7.2 1.1 Y +2 1 "O3'" C DG 3 . . P C DT 4 . . OP2 C DT 4 . . 118.65 110.5 8.15 1.1 Y +3 1 "O5'" C DT 4 . . P C DT 4 . . OP2 C DT 4 . . 100.21 105.7 -5.49 0.9 N +4 1 "O3'" C DT 4 . . P C DG 5 . . OP2 C DG 5 . . 120.26 110.5 9.76 1.1 Y +5 1 "O3'" D DT 13 . . P D DG 14 . . OP2 D DG 14 . . 117.41 110.5 6.91 1.1 Y +6 1 "O3'" D DG 14 . . P D DT 15 . . OP2 D DT 15 . . 119.37 110.5 8.87 1.1 Y +7 1 "C5'" D DT 22 . . "C4'" D DT 22 . . "C3'" D DT 22 . . 126.02 115.7 10.32 1.2 N +8 1 "O5'" D DT 23 . . P D DT 23 . . OP1 D DT 23 . . 98.24 105.7 -7.46 0.9 N +9 1 N1 E DG 25 . . C6 E DG 25 . . O6 E DG 25 . . 113.15 119.9 -6.75 0.6 N +10 1 C5 E DG 25 . . C6 E DG 25 . . O6 E DG 25 . . 132.74 128.6 4.14 0.6 N +11 1 "O4'" E DC 14 . . "C1'" E DC 14 . . N1 E DC 14 . . 111.18 108.3 2.88 0.3 N +12 1 N1 F DT 10 . . "C1'" F DT 10 . . "C2'" F DT 10 . . 124.14 114.3 9.84 1.4 N +13 1 "O4'" F DT 8 . . "C1'" F DT 8 . . N1 F DT 8 . . 110.86 108.3 2.56 0.3 N +14 1 "O3'" F DT 8 . . P F DC 7 . . OP2 F DC 7 . . 117.68 110.5 7.18 1.1 Y +15 1 "O4'" F DC 7 . . "C1'" F DC 7 . . N1 F DC 7 . . 112.23 108.3 3.93 0.3 N +16 1 "O3'" F DT 1 . . P F DT -1 . . OP2 F DT -1 . . 117.53 110.5 7.03 1.1 Y +17 1 "C3'" F DG -4 . . "C2'" F DG -4 . . "C1'" F DG -4 . . 96.45 102.4 -5.95 0.8 N +18 1 C A GLN 153 . . N A PRO 154 . . CA A PRO 154 . . 130.75 119.3 11.45 1.5 Y +19 1 CA A CYS 178 . . CB A CYS 178 . . SG A CYS 178 . . 123.77 114.2 9.57 1.1 N +# +loop_ +_pdbx_validate_torsion.id +_pdbx_validate_torsion.PDB_model_num +_pdbx_validate_torsion.auth_comp_id +_pdbx_validate_torsion.auth_asym_id +_pdbx_validate_torsion.auth_seq_id +_pdbx_validate_torsion.PDB_ins_code +_pdbx_validate_torsion.label_alt_id +_pdbx_validate_torsion.phi +_pdbx_validate_torsion.psi +1 1 PHE A 14 . . -58.75 -70.93 +2 1 SER A 25 . . -47.2 158.81 +3 1 LYS A 26 . . 54.93 0.62 +4 1 GLU A 37 . . -160.15 -11.27 +5 1 GLU A 54 . . -49.09 -14.8 +6 1 LEU A 75 . . -42.52 -17.85 +7 1 GLN A 107 . . -58.82 1.71 +8 1 VAL A 108 . . -110.31 -73.94 +9 1 ASP A 155 . . -99.58 55.56 +10 1 ASN A 194 . . 80.54 27.71 +11 1 HIS A 199 . . 164.21 35.92 +12 1 VAL A 205 . . 85.34 87.55 +13 1 TYR A 206 . . 39.5 176.37 +14 1 HIS B 17 . . -67.14 3.74 +15 1 LYS B 26 . . 86.12 2.92 +16 1 GLU B 55 . . -89.03 34.9 +17 1 GLU B 77 . . -147.36 -34.14 +18 1 GLU B 78 . . 61.31 147.09 +19 1 LEU B 148 . . -79.97 -71.44 +20 1 ALA B 151 . . -66.67 60.84 +21 1 LYS B 152 . . -171.43 -54.58 +22 1 PRO B 154 . . -55.79 95.25 +23 1 ASP B 155 . . -173.31 -32.13 +24 1 THR B 158 . . -37.77 92.27 +25 1 MET B 163 . . -48.19 166.15 +26 1 CYS B 178 . . -153.64 -159.04 +27 1 ARG B 180 . . -24.5 -45.87 +28 1 ARG B 185 . . -39.17 -33.2 +29 1 MET B 189 . . -55.14 4.38 +30 1 ASP B 192 . . -51.78 -73.8 +31 1 GLN B 193 . . -40 -27.88 +32 1 ASN B 194 . . 89.91 23.95 +33 1 HIS B 199 . . 176.66 87.28 +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 N 1 A CMP 762 . "O2'" . G CMP 1 "O2'" +2 1 N 1 B CMP 761 . "O2'" . H CMP 1 "O2'" +# +loop_ +_pdbx_unobs_or_zero_occ_residues.id +_pdbx_unobs_or_zero_occ_residues.polymer_flag +_pdbx_unobs_or_zero_occ_residues.occupancy_flag +_pdbx_unobs_or_zero_occ_residues.PDB_model_num +_pdbx_unobs_or_zero_occ_residues.auth_asym_id +_pdbx_unobs_or_zero_occ_residues.auth_comp_id +_pdbx_unobs_or_zero_occ_residues.auth_seq_id +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code +_pdbx_unobs_or_zero_occ_residues.label_asym_id +_pdbx_unobs_or_zero_occ_residues.label_comp_id +_pdbx_unobs_or_zero_occ_residues.label_seq_id +1 y 1 1 A VAL 1 ? E VAL 1 +2 y 1 1 A LEU 2 ? E LEU 2 +3 y 1 1 A GLY 3 ? E GLY 3 +4 y 1 1 A LYS 4 ? E LYS 4 +5 y 1 1 A PRO 5 ? E PRO 5 +6 y 1 1 A GLN 6 ? E GLN 6 +7 y 1 1 A THR 7 ? E THR 7 +8 y 1 1 A ASP 8 ? E ASP 8 +9 y 1 1 A THR 208 ? E THR 208 +10 y 1 1 A ARG 209 ? E ARG 209 +11 y 1 1 B VAL 1 ? F VAL 1 +12 y 1 1 B LEU 2 ? F LEU 2 +13 y 1 1 B GLY 3 ? F GLY 3 +14 y 1 1 B LYS 4 ? F LYS 4 +15 y 1 1 B PRO 5 ? F PRO 5 +16 y 1 1 B GLN 6 ? F GLN 6 +17 y 1 1 B THR 7 ? F THR 7 +18 y 1 1 B ASP 8 ? F ASP 8 +19 y 1 1 B TYR 206 ? F TYR 206 +20 y 1 1 B GLY 207 ? F GLY 207 +21 y 1 1 B THR 208 ? F THR 208 +22 y 1 1 B ARG 209 ? F ARG 209 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +1J59 'double helix' +1J59 'b-form double helix' +1J59 'mismatched base pair' +1J59 'triple helix' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A DC 2 1_555 D DG 17 1_555 0.959 -0.396 -0.493 11.186 -11.164 6.525 1 C_DC-4:DG-4_F C -4 . F -4 . 19 1 +1 A DG 3 1_555 D DC 16 1_555 -0.138 -0.324 0.408 9.213 -5.058 -4.161 2 C_DG-3:DC-3_F C -3 . F -3 . 19 1 +1 A DA 4 1_555 D DT 15 1_555 0.387 -0.313 -0.847 2.019 -28.391 3.953 3 C_DA-2:DT-2_F C -2 . F -2 . 20 1 +1 A DA 5 1_555 D DT 14 1_555 0.074 -0.048 0.167 -4.233 -15.387 1.905 4 C_DA-1:DT-1_F C -1 . F -1 . 20 1 +1 A DA 6 1_555 D DT 13 1_555 0.158 -0.108 1.125 23.001 -10.768 -1.582 5 C_DA1:DT1_F C 1 . F 1 . 20 1 +1 A DA 7 1_555 D DT 12 1_555 0.36 -0.394 0.987 1.77 -12.129 1.497 6 C_DA2:DT2_F C 2 . F 2 . 20 1 +1 A DG 8 1_555 D DC 11 1_555 -0.618 -0.426 1.511 13.122 -26.254 -1.694 7 C_DG3:DC3_F C 3 . F 3 . 19 1 +1 A DT 9 1_555 D DA 10 1_555 -0.353 0.246 -0.324 -19.725 -13.195 0.203 8 C_DT4:DA4_F C 4 . F 4 . 20 1 +1 A DG 10 1_555 D DC 9 1_555 -0.228 -0.129 -0.356 -8.646 6.318 3.223 9 C_DG5:DC5_F C 5 . F 5 . 19 1 +1 A DT 11 1_555 D DA 8 1_555 0.301 -0.199 -0.195 24.97 15.53 -4.503 10 C_DT6:DA6_F C 6 . F 6 . 20 1 +1 A DG 12 1_555 D DC 7 1_555 -0.082 0.047 -0.633 -34.551 2.518 -5.059 11 C_DG7:DC7_F C 7 . F 7 . 19 1 +1 A DA 13 1_555 D DT 6 1_555 -0.388 0.035 -0.588 -20.881 -6.413 5.176 12 C_DA8:DT8_F C 8 . F 8 . 20 1 +1 A DC 14 1_555 D DG 5 1_555 0.27 -0.061 0.089 5.911 -16.971 -1.24 13 C_DC9:DG9_F C 9 . F 9 . 19 1 +1 B DA 1 1_555 D DT 4 1_555 0.055 -0.13 -0.376 -16.479 -7.707 -2.575 14 D_DA10:DT10_F D 10 . F 10 . 20 1 +1 B DT 2 1_555 D DA 3 1_555 0.2 -0.048 -1.742 3.298 -11.162 5.471 15 D_DT11:DA11_F D 11 . F 11 . 20 1 +1 B DA 3 1_555 D DT 2 1_555 -0.598 -0.483 0.912 8.843 2.017 -1.57 16 D_DA12:DT12_F D 12 . F 12 . 20 1 +1 B DT 4 1_555 D DA 1 1_555 0.168 0.408 -0.228 41.233 16.529 1.038 17 D_DT13:DA13_F D 13 . F 13 . 20 1 +1 B DG 5 1_555 C DC 14 1_555 0.893 0.142 -0.446 2.598 -15.977 3.988 18 D_DG14:DC14_E D 14 . E 14 . 19 1 +1 B DT 6 1_555 C DA 13 1_555 -0.786 0.157 0.618 -1.507 7.178 3.511 19 D_DT15:DA15_E D 15 . E 15 . 20 1 +1 B DC 7 1_555 C DG 12 1_555 -0.025 -0.733 -1.467 14.197 -22.242 14.071 20 D_DC16:DG16_E D 16 . E 16 . 19 1 +1 B DA 8 1_555 C DT 11 1_555 -0.696 -0.168 -0.879 -18.89 -10.56 16.366 21 D_DA17:DT17_E D 17 . E 17 . 20 1 +1 B DC 9 1_555 C DG 10 1_555 0.214 0.051 0.271 -13.247 -2.07 -6.026 22 D_DC18:DG18_E D 18 . E 18 . 19 1 +1 B DA 10 1_555 C DT 9 1_555 -0.033 0.136 0.177 27.6 7.714 -1.933 23 D_DA19:DT19_E D 19 . E 19 . 20 1 +1 B DC 11 1_555 C DG 8 1_555 1.377 -0.825 1.384 -10.968 -1.245 8.62 24 D_DC20:DG20_E D 20 . E 20 . 19 1 +1 B DT 12 1_555 C DA 7 1_555 -0.477 -1.213 2.193 -16.792 -6.999 -12.376 25 D_DT21:DA21_E D 21 . E 21 . 20 1 +1 B DT 13 1_555 C DA 6 1_555 -1.173 -0.36 1.044 -20.851 -25.338 -5.047 26 D_DT22:DA22_E D 22 . E 22 . 20 1 +1 B DT 14 1_555 C DA 5 1_555 0.512 -0.176 -0.283 -9.335 -2.045 -18.922 27 D_DT23:DA23_E D 23 . E 23 . 20 1 +1 B DT 15 1_555 C DA 4 1_555 0.047 -0.167 0.305 -32.202 -28.895 -3.655 28 D_DT24:DA24_E D 24 . E 24 . 20 1 +1 B DC 16 1_555 C DG 3 1_555 0.597 0.294 -0.791 -3.812 -16.984 4.709 29 D_DC25:DG25_E D 25 . E 25 . 19 1 +1 B DG 17 1_555 C DC 2 1_555 -1.341 -0.196 -0.038 -17.037 -13.953 7.998 30 D_DG26:DC26_E D 26 . E 26 . 19 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A DC 2 1_555 D DG 17 1_555 A DG 3 1_555 D DC 16 1_555 0.713 1.285 3.555 0.428 5.114 24.783 1.256 -1.487 3.751 11.754 -0.984 25.3 1 CC_DC-4DG-3:DC-3DG-4_FF C -4 . F -4 . C -3 . F -3 . +1 A DG 3 1_555 D DC 16 1_555 A DA 4 1_555 D DT 15 1_555 -0.442 1.692 3.692 4.022 5.48 37.052 1.797 1.29 3.828 8.536 -6.264 37.649 2 CC_DG-3DA-2:DT-2DC-3_FF C -3 . F -3 . C -2 . F -2 . +1 A DA 4 1_555 D DT 15 1_555 A DA 5 1_555 D DT 14 1_555 -0.542 0.295 3.139 -8.262 8.329 36.304 -0.593 -0.206 3.173 12.958 12.853 38.091 3 CC_DA-2DA-1:DT-1DT-2_FF C -2 . F -2 . C -1 . F -1 . +1 A DA 5 1_555 D DT 14 1_555 A DA 6 1_555 D DT 13 1_555 0.331 -0.503 2.585 -6.609 -20.957 40.498 0.859 -0.899 2.471 -27.935 8.809 45.854 4 CC_DA-1DA1:DT1DT-1_FF C -1 . F -1 . C 1 . F 1 . +1 A DA 6 1_555 D DT 13 1_555 A DA 7 1_555 D DT 12 1_555 0.444 -0.621 3.743 1.937 -3.157 35.73 -0.486 -0.4 3.8 -5.128 -3.147 35.916 5 CC_DA1DA2:DT2DT1_FF C 1 . F 1 . C 2 . F 2 . +1 A DA 7 1_555 D DT 12 1_555 A DG 8 1_555 D DC 11 1_555 0.519 -1.083 2.803 4.749 -12.298 32.424 -0.074 -0.197 3.046 -20.974 -8.1 34.935 6 CC_DA2DG3:DC3DT2_FF C 2 . F 2 . C 3 . F 3 . +1 A DG 8 1_555 D DC 11 1_555 A DT 9 1_555 D DA 10 1_555 0.292 -0.699 4.074 13.642 14.503 33.716 -3.205 1.592 3.386 22.715 -21.366 39.008 7 CC_DG3DT4:DA4DC3_FF C 3 . F 3 . C 4 . F 4 . +1 A DT 9 1_555 D DA 10 1_555 A DG 10 1_555 D DC 9 1_555 0.274 1.942 3.24 4.502 -4.423 44.536 2.925 0.034 3.056 -5.801 -5.905 44.958 8 CC_DT4DG5:DC5DA4_FF C 4 . F 4 . C 5 . F 5 . +1 A DG 10 1_555 D DC 9 1_555 A DT 11 1_555 D DA 8 1_555 -0.056 0.814 2.392 -1.985 10.502 26.477 -0.218 -0.24 2.522 21.832 4.127 28.518 9 CC_DG5DT6:DA6DC5_FF C 5 . F 5 . C 6 . F 6 . +1 A DT 11 1_555 D DA 8 1_555 A DG 12 1_555 D DC 7 1_555 -0.216 1.331 5.445 1.265 52.096 15.514 -5.267 0.401 2.878 74.546 -1.81 54.217 10 CC_DT6DG7:DC7DA6_FF C 6 . F 6 . C 7 . F 7 . +1 A DG 12 1_555 D DC 7 1_555 A DA 13 1_555 D DT 6 1_555 -1.233 2.145 3.04 -11.823 3.702 30.387 3.14 0.069 3.497 6.722 21.468 32.761 11 CC_DG7DA8:DT8DC7_FF C 7 . F 7 . C 8 . F 8 . +1 A DA 13 1_555 D DT 6 1_555 A DC 14 1_555 D DG 5 1_555 -0.688 -0.334 2.725 -5.815 -6.45 34.663 0.258 0.399 2.815 -10.62 9.575 35.702 12 CC_DA8DC9:DG9DT8_FF C 8 . F 8 . C 9 . F 9 . +1 A DC 14 1_555 D DG 5 1_555 B DA 1 1_555 D DT 4 1_555 0.895 -0.062 3.927 4.843 -5.932 36.55 0.86 -0.618 3.971 -9.332 -7.619 37.316 13 CD_DC9DA10:DT10DG9_FF C 9 . F 9 . D 10 . F 10 . +1 B DA 1 1_555 D DT 4 1_555 B DT 2 1_555 D DA 3 1_555 -0.019 0.665 2.898 11.618 14.649 31.185 -0.854 1.557 2.761 24.669 -19.565 36.24 14 DD_DA10DT11:DA11DT10_FF D 10 . F 10 . D 11 . F 11 . +1 B DT 2 1_555 D DA 3 1_555 B DA 3 1_555 D DT 2 1_555 -0.299 0.687 3.535 -21.133 -5.237 30.707 1.827 -2.594 2.983 -8.657 34.936 37.49 15 DD_DT11DA12:DT12DA11_FF D 11 . F 11 . D 12 . F 12 . +1 B DA 3 1_555 D DT 2 1_555 B DT 4 1_555 D DA 1 1_555 0.517 -0.975 2.522 5.835 -7.715 33.619 -0.671 -0.14 2.722 -13.007 -9.838 34.944 16 DD_DA12DT13:DA13DT12_FF D 12 . F 12 . D 13 . F 13 . +1 B DT 4 1_555 D DA 1 1_555 B DG 5 1_555 C DC 14 1_555 0.684 -0.297 4.352 13.365 2.643 45.166 -0.668 0.638 4.353 3.352 -16.951 47.073 17 DD_DT13DG14:DC14DA13_EF D 13 . F 13 . D 14 . E 14 . +1 B DG 5 1_555 C DC 14 1_555 B DT 6 1_555 C DA 13 1_555 0.15 -0.32 3.191 -3.742 7.655 26.256 -2.465 -1.191 2.933 16.314 7.974 27.58 18 DD_DG14DT15:DA15DC14_EE D 14 . E 14 . D 15 . E 15 . +1 B DT 6 1_555 C DA 13 1_555 B DC 7 1_555 C DG 12 1_555 -0.109 1.77 2.915 18.235 12.254 37.288 1.233 1.9 2.979 17.439 -25.95 43.08 19 DD_DT15DC16:DG16DA15_EE D 15 . E 15 . D 16 . E 16 . +1 B DC 7 1_555 C DG 12 1_555 B DA 8 1_555 C DT 11 1_555 -0.487 2.362 4.527 -6.131 34.504 10.32 -5.748 -0.914 3.609 72.956 12.965 36.487 20 DD_DC16DA17:DT17DG16_EE D 16 . E 16 . D 17 . E 17 . +1 B DA 8 1_555 C DT 11 1_555 B DC 9 1_555 C DG 10 1_555 -0.512 0.307 3.516 -6.744 4.071 27.003 -0.421 -0.691 3.545 8.492 14.068 28.109 21 DD_DA17DC18:DG18DT17_EE D 17 . E 17 . D 18 . E 18 . +1 B DC 9 1_555 C DG 10 1_555 B DA 10 1_555 C DT 9 1_555 0.33 1.362 2.44 -3.858 -3.109 39.351 2.272 -0.814 2.289 -4.595 5.701 39.649 22 DD_DC18DA19:DT19DG18_EE D 18 . E 18 . D 19 . E 19 . +1 B DA 10 1_555 C DT 9 1_555 B DC 11 1_555 C DG 8 1_555 0.21 -1.409 4.371 -15.438 -3.744 43.945 -1.357 -2.014 4.177 -4.819 19.874 46.594 23 DD_DA19DC20:DG20DT19_EE D 19 . E 19 . D 20 . E 20 . +1 B DC 11 1_555 C DG 8 1_555 B DT 12 1_555 C DA 7 1_555 -1.433 -1.191 3.216 -5.509 -10.275 21.862 0.709 1.476 3.65 -24.939 13.372 24.743 24 DD_DC20DT21:DA21DG20_EE D 20 . E 20 . D 21 . E 21 . +1 B DT 12 1_555 C DA 7 1_555 B DT 13 1_555 C DA 6 1_555 0.145 -1.443 3.09 12.308 -5.232 35.279 -1.565 1.352 3.142 -8.275 -19.466 37.653 25 DD_DT21DT22:DA22DA21_EE D 21 . E 21 . D 22 . E 22 . +1 B DT 13 1_555 C DA 6 1_555 B DT 14 1_555 C DA 5 1_555 -0.585 -0.734 2.735 3.923 -15.327 48.995 0.064 0.909 2.782 -17.947 -4.593 51.336 26 DD_DT22DT23:DA23DA22_EE D 22 . E 22 . D 23 . E 23 . +1 B DT 14 1_555 C DA 5 1_555 B DT 15 1_555 C DA 4 1_555 0.384 -0.448 3.551 3.61 1.575 36.573 -0.944 -0.074 3.55 2.501 -5.733 36.777 27 DD_DT23DT24:DA24DA23_EE D 23 . E 23 . D 24 . E 24 . +1 B DT 15 1_555 C DA 4 1_555 B DC 16 1_555 C DG 3 1_555 1.387 0.494 3.065 8.399 8.863 29.875 -0.716 -0.978 3.333 16.358 -15.501 32.221 28 DD_DT24DC25:DG25DA24_EE D 24 . E 24 . D 25 . E 25 . +1 B DC 16 1_555 C DG 3 1_555 B DG 17 1_555 C DC 2 1_555 -1.377 1.456 3.592 -12.619 11.507 22.557 -0.525 -1.025 4.075 25.276 27.72 28.226 29 DD_DC25DG26:DC26DG25_EE D 25 . E 25 . D 26 . E 26 . +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.name +4 CMP "ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE" +5 HOH water # -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 54 +_model_server_stats.io_time_ms 9 +_model_server_stats.parse_time_ms 71 +_model_server_stats.create_model_time_ms 18 +_model_server_stats.query_time_ms 236 +_model_server_stats.encode_time_ms 90 +_model_server_stats.element_count 4718 # diff --git a/src/test/resources/snapshot/1j59.cif.gz b/src/test/resources/snapshot/1j59.cif.gz index 4cff216ae..649f3ebf1 100644 Binary files a/src/test/resources/snapshot/1j59.cif.gz and b/src/test/resources/snapshot/1j59.cif.gz differ diff --git a/src/test/resources/snapshot/1pga.bcif b/src/test/resources/snapshot/1pga.bcif index 53f214f5b..ae0ea283a 100644 Binary files a/src/test/resources/snapshot/1pga.bcif and b/src/test/resources/snapshot/1pga.bcif differ diff --git a/src/test/resources/snapshot/1pga.bcif.gz b/src/test/resources/snapshot/1pga.bcif.gz index c00397579..8475b230a 100644 Binary files a/src/test/resources/snapshot/1pga.bcif.gz and b/src/test/resources/snapshot/1pga.bcif.gz differ diff --git a/src/test/resources/snapshot/1pga.cif b/src/test/resources/snapshot/1pga.cif index 78d9bf8f2..464a4c2d3 100644 --- a/src/test/resources/snapshot/1pga.cif +++ b/src/test/resources/snapshot/1pga.cif @@ -1,558 +1,506 @@ data_1PGA # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:41:03' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 +_model_server_result.job_id ZG1GdoyH7lIkXNlawnrhJw +_model_server_result.datetime_utc '2022-06-14 23:44:02' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 1pga +# +_entry.id 1PGA +# +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.287 # loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_database_2.database_id +_database_2.database_code +pdb 1PGA +wwpdb D_1000175653 # -_entry.id 1PGA +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 1PGA +_pdbx_database_status.recvd_initial_deposition_date 1993-11-23 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site ? +_pdbx_database_status.process_site BNL +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Gallagher, T.' 1 . +'Alexander, P.' 2 . +'Bryan, P.' 3 . +'Gilliland, G.L.' 4 . +# +loop_ +_citation.book_publisher +_citation.country +_citation.id +_citation.journal_abbrev +_citation.journal_id_ASTM +_citation.journal_id_CSD +_citation.journal_id_ISSN +_citation.journal_volume +_citation.page_first +_citation.page_last +_citation.title +_citation.year +_citation.pdbx_database_id_DOI +_citation.pdbx_database_id_PubMed +? US primary Biochemistry BICHAW 33 0006-2960 33 4721 4729 'Two crystal structures of the B1 immunoglobulin-binding domain of streptococcal protein G and comparison with NMR.' 1994 10.1021/bi00181a032 8161530 +? US 1 Biochemistry BICHAW 33 0006-2960 31 10449 ? '1.67 Angstroms X-Ray Structure of the B2 Immunoglobulin-Binding Domain of Streptoccocal Protein G and Comparison to the NMR Structure of the B1 Domain' 1992 ? ? +? US 2 Science SCIEAS 38 0036-8075 253 657 ? 'A Novel, Highly Stable Fold of the Immunoglobulin Binding Domain of Streptococcal Protein G' 1991 ? ? # loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Gallagher, T.' 1 +primary 'Alexander, P.' 2 +primary 'Bryan, P.' 3 +primary 'Gilliland, G.L.' 4 +1 'Achari, A.' 5 +1 'Hale, S.P.' 6 +1 'Howard, A.J.' 7 +1 'Clore, G.M.' 8 +1 'Gronenborn, A.M.' 9 +1 'Hardman, K.D.' 10 +1 'Whitlow, M.' 11 +2 'Gronenborn, A.M.' 12 +2 'Filpula, D.R.' 13 +2 'Essig, N.Z.' 14 +2 'Achari, A.' 15 +2 'Whitlow, M.' 16 +2 'Wingfield, P.T.' 17 +2 'Clore, G.M.' 18 +# +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 90 +_cell.entry_id 1PGA +_cell.length_a 37.039 +_cell.length_b 25.084 +_cell.length_c 51.277 +_cell.Z_PDB 4 +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 1PGA +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 19 +_symmetry.space_group_name_Hall . +_symmetry.space_group_name_H-M 'P 21 21 21' +# +loop_ +_entity.details +_entity.formula_weight _entity.id -_entity.type _entity.src_method +_entity.type _entity.pdbx_description -_entity.formula_weight _entity.pdbx_number_of_molecules -_entity.details _entity.pdbx_mutation _entity.pdbx_fragment _entity.pdbx_ec -1 polymer man 'PROTEIN G' ? ? . ? ? ? -2 water nat water ? ? . ? ? ? +? 6201.784 1 man polymer 'PROTEIN G' 1 ? ? ? +? 18.015 2 nat water water 20 ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.type polypeptide(L) +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_seq_one_letter_code MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE +_entity_poly.pdbx_seq_one_letter_code_can MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE +_entity_poly.pdbx_target_identifier ? +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.hetero +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n MET 1 +1 n THR 2 +1 n TYR 3 +1 n LYS 4 +1 n LEU 5 +1 n ILE 6 +1 n LEU 7 +1 n ASN 8 +1 n GLY 9 +1 n LYS 10 +1 n THR 11 +1 n LEU 12 +1 n LYS 13 +1 n GLY 14 +1 n GLU 15 +1 n THR 16 +1 n THR 17 +1 n THR 18 +1 n GLU 19 +1 n ALA 20 +1 n VAL 21 +1 n ASP 22 +1 n ALA 23 +1 n ALA 24 +1 n THR 25 +1 n ALA 26 +1 n GLU 27 +1 n LYS 28 +1 n VAL 29 +1 n PHE 30 +1 n LYS 31 +1 n GLN 32 +1 n TYR 33 +1 n ALA 34 +1 n ASN 35 +1 n ASP 36 +1 n ASN 37 +1 n GLY 38 +1 n VAL 39 +1 n ASP 40 +1 n GLY 41 +1 n GLU 42 +1 n TRP 43 +1 n THR 44 +1 n TYR 45 +1 n ASP 46 +1 n ASP 47 +1 n ALA 48 +1 n THR 49 +1 n LYS 50 +1 n THR 51 +1 n PHE 52 +1 n THR 53 +1 n VAL 54 +1 n THR 55 +1 n GLU 56 +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Streptococcus sp. GX7805' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num ? +_entity_src_gen.pdbx_end_seq_num ? +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code SPG1_STRSG +_struct_ref.entity_id 1 +_struct_ref.pdbx_db_accession P06654 +_struct_ref.pdbx_align_begin 1 +_struct_ref.pdbx_seq_one_letter_code +;MEKEKKVKYFLRKSAFGLASVSAAFLVGSTVFAVDSPIEDTPIIRNGGELTNLLGNSETTLALRNEESATADLTAAAVAD +TVAAAAAENAGAAAWEAAAAADALAKAKADALKEFNKYGVSDYYKNLINNAKTVEGIKDLQAQVVESAKKARISEATDGL +SDFLKSQTPAEDTVKSIELAEAKVLANRELDKYGVSDYHKNLINNAKTVEGVKELIDEILAALPKTDTYKLILNGKTLKG +ETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTEKPEVIDASELTPAVTTYKLVINGKTLKGETTTKAVDAE +TAEKAFKQYANDNGVDGVWTYDDATKTFTVTEMVTEVPGDAPTEPEKPEASIPLVPLTPATPIAKDDAKKDDTKKEDAKK +PEAKKDDAKKAETLPTTGEGSNPFFTAAALAVMAGAGALAVASKRKED +; +_struct_ref.pdbx_db_isoform . +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 1PGA +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 2 +_struct_ref_seq.pdbx_seq_align_beg_ins_code . +_struct_ref_seq.seq_align_end 56 +_struct_ref_seq.pdbx_seq_align_end_ins_code . +_struct_ref_seq.pdbx_db_accession P06654 +_struct_ref_seq.db_align_beg 228 +_struct_ref_seq.pdbx_db_align_beg_ins_code . +_struct_ref_seq.db_align_end 282 +_struct_ref_seq.pdbx_db_align_end_ins_code . +_struct_ref_seq.pdbx_auth_seq_align_beg 2 +_struct_ref_seq.pdbx_auth_seq_align_end 56 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'C4 H7 N O4' 133.103 ASP y 'ASPARTIC ACID' 'l-peptide linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C5 H11 N O2 S' 149.211 MET y METHIONINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C11 H12 N2 O2' 204.225 TRP y TRYPTOPHAN 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? # _exptl.entry_id 1PGA -_exptl.method 'X-ray diffraction' +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 1.92 +_exptl_crystal.density_percent_sol 35.95 +_exptl_crystal.description . +# +_diffrn.id 1 +_diffrn.ambient_temp . +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l . +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol . +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength . +_diffrn_radiation_wavelength.wt 1 +# +_refine.entry_id 1PGA +_refine.ls_number_reflns_obs 2567 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I 1 +_refine.pdbx_ls_sigma_F . +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 6 +_refine.ls_d_res_high 2.07 +_refine.ls_percent_reflns_obs . +_refine.ls_R_factor_obs 0.174 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work . +_refine.ls_R_factor_R_free . +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free . +_refine.ls_number_reflns_R_free . +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.B_iso_mean . +_refine.aniso_B[1][1] . +_refine.aniso_B[2][2] . +_refine.aniso_B[3][3] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][3] . +_refine.solvent_model_details . +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_ls_cross_valid_method . +_refine.details . +_refine.pdbx_starting_model . +_refine.pdbx_method_to_determine_struct . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.overall_SU_ML . +_refine.overall_SU_B . +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.pdbx_solvent_vdw_probe_radii . +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii . +_refine.pdbx_overall_phase_error . +_refine.overall_SU_R_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . # -_struct_conf.conf_type_id HELX_P -_struct_conf.id HELX_P1 -_struct_conf.pdbx_PDB_helix_id 1 +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 436 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 20 +_refine_hist.number_atoms_total 456 +_refine_hist.d_res_high 2.07 +_refine_hist.d_res_low 6 +# +loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +p_bond_d 0.02 . . . 'X-RAY DIFFRACTION' . +p_angle_d 1.97 . . . 'X-RAY DIFFRACTION' . +p_angle_deg . . . . 'X-RAY DIFFRACTION' . +p_planar_d . . . . 'X-RAY DIFFRACTION' . +p_hb_or_metal_coord . . . . 'X-RAY DIFFRACTION' . +p_mcbond_it . . . . 'X-RAY DIFFRACTION' . +p_mcangle_it . . . . 'X-RAY DIFFRACTION' . +p_scbond_it . . . . 'X-RAY DIFFRACTION' . +p_scangle_it . . . . 'X-RAY DIFFRACTION' . +p_plane_restr . . . . 'X-RAY DIFFRACTION' . +p_chiral_restr . . . . 'X-RAY DIFFRACTION' . +p_singtor_nbd . . . . 'X-RAY DIFFRACTION' . +p_multtor_nbd . . . . 'X-RAY DIFFRACTION' . +p_xhyhbond_nbd . . . . 'X-RAY DIFFRACTION' . +p_xyhbond_nbd . . . . 'X-RAY DIFFRACTION' . +p_planar_tor . . . . 'X-RAY DIFFRACTION' . +p_staggered_tor . . . . 'X-RAY DIFFRACTION' . +p_orthonormal_tor . . . . 'X-RAY DIFFRACTION' . +p_transverse_tor . . . . 'X-RAY DIFFRACTION' . +p_special_tor . . . . 'X-RAY DIFFRACTION' . +# +_struct.entry_id 1PGA +_struct.title 'TWO CRYSTAL STRUCTURES OF THE B1 IMMUNOGLOBULIN-BINDING DOMAIN OF STREPTOCOCCAL PROTEIN G AND COMPARISON WITH NMR' +_struct.pdbx_descriptor 'PROTEIN G (B1 IGG-BINDING DOMAIN)' +# +_struct_keywords.entry_id 1PGA +_struct_keywords.text 'IMMUNOGLOBULIN BINDING PROTEIN' +_struct_keywords.pdbx_keywords 'IMMUNOGLOBULIN BINDING PROTEIN' +# +loop_ +_struct_asym.details +_struct_asym.entity_id +_struct_asym.id +_struct_asym.pdbx_modified +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +# +_struct_biol.id 1 +# +_struct_conf.conf_type_id helx_p +_struct_conf.id helx_p1 _struct_conf.beg_label_comp_id ALA -_struct_conf.beg_label_asym_id A _struct_conf.beg_label_seq_id 23 _struct_conf.pdbx_beg_PDB_ins_code . +_struct_conf.beg_label_asym_id A +_struct_conf.beg_label_entity_id 1 +_struct_conf.beg_auth_comp_id ALA +_struct_conf.beg_auth_seq_id 23 +_struct_conf.beg_auth_asym_id A _struct_conf.end_label_comp_id ASP -_struct_conf.end_label_asym_id A _struct_conf.end_label_seq_id 36 _struct_conf.pdbx_end_PDB_ins_code . -_struct_conf.beg_auth_comp_id ALA -_struct_conf.beg_auth_asym_id A -_struct_conf.beg_auth_seq_id 23 +_struct_conf.end_label_asym_id A +_struct_conf.end_label_entity_id 1 _struct_conf.end_auth_comp_id ASP -_struct_conf.end_auth_asym_id A _struct_conf.end_auth_seq_id 36 +_struct_conf.end_auth_asym_id A _struct_conf.pdbx_PDB_helix_class 1 _struct_conf.details ? _struct_conf.pdbx_PDB_helix_length 14 # +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . +# +_struct_sheet.id S1 +_struct_sheet.type . +_struct_sheet.number_strands 4 +_struct_sheet.details . +# +loop_ +_struct_sheet_order.sheet_id +_struct_sheet_order.range_id_1 +_struct_sheet_order.range_id_2 +_struct_sheet_order.offset +_struct_sheet_order.sense +S1 1 2 . anti-parallel +S1 2 3 . parallel +S1 3 4 . anti-parallel +# loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id -_struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code +_struct_sheet_range.beg_label_asym_id +_struct_sheet_range.beg_label_entity_id +_struct_sheet_range.beg_auth_comp_id +_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.beg_auth_asym_id _struct_sheet_range.end_label_comp_id -_struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code -_struct_sheet_range.symmetry -_struct_sheet_range.beg_auth_comp_id -_struct_sheet_range.beg_auth_asym_id -_struct_sheet_range.beg_auth_seq_id +_struct_sheet_range.end_label_asym_id +_struct_sheet_range.end_label_entity_id _struct_sheet_range.end_auth_comp_id -_struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id -S1 2 MET A 1 . GLY A 9 . ? MET A 1 GLY A 9 -S1 1 LEU A 12 . ALA A 20 . ? LEU A 12 ALA A 20 -S1 4 GLU A 42 . ASP A 46 . ? GLU A 42 ASP A 46 -S1 3 LYS A 50 . GLU A 56 . ? LYS A 50 GLU A 56 -# -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details monomeric -_pdbx_struct_assembly.oligomeric_count 1 -# -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B -# -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1 -_pdbx_struct_oper_list.matrix[1][2] 0 -_pdbx_struct_oper_list.matrix[1][3] 0 -_pdbx_struct_oper_list.vector[1] 0 -_pdbx_struct_oper_list.matrix[2][1] 0 -_pdbx_struct_oper_list.matrix[2][2] 1 -_pdbx_struct_oper_list.matrix[2][3] 0 -_pdbx_struct_oper_list.vector[2] 0 -_pdbx_struct_oper_list.matrix[3][1] 0 -_pdbx_struct_oper_list.matrix[3][2] 0 -_pdbx_struct_oper_list.matrix[3][3] 1 -_pdbx_struct_oper_list.vector[3] 0 -# -_cell.entry_id 1PGA -_cell.length_a 37.039 -_cell.length_b 25.084 -_cell.length_c 51.277 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 90 -_cell.Z_PDB 4 -_cell.pdbx_unique_axis ? -# -_symmetry.entry_id 1PGA -_symmetry.space_group_name_H-M 'P 21 21 21' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 19 -_symmetry.space_group_name_Hall . -# -_entity_poly.entity_id 1 -_entity_poly.type polypeptide(L) -_entity_poly.nstd_linkage no -_entity_poly.nstd_monomer no -_entity_poly.pdbx_seq_one_letter_code MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE -_entity_poly.pdbx_seq_one_letter_code_can MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE -_entity_poly.pdbx_strand_id A -# -loop_ -_entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id -_entity_poly_seq.hetero -1 1 MET n -1 2 THR n -1 3 TYR n -1 4 LYS n -1 5 LEU n -1 6 ILE n -1 7 LEU n -1 8 ASN n -1 9 GLY n -1 10 LYS n -1 11 THR n -1 12 LEU n -1 13 LYS n -1 14 GLY n -1 15 GLU n -1 16 THR n -1 17 THR n -1 18 THR n -1 19 GLU n -1 20 ALA n -1 21 VAL n -1 22 ASP n -1 23 ALA n -1 24 ALA n -1 25 THR n -1 26 ALA n -1 27 GLU n -1 28 LYS n -1 29 VAL n -1 30 PHE n -1 31 LYS n -1 32 GLN n -1 33 TYR n -1 34 ALA n -1 35 ASN n -1 36 ASP n -1 37 ASN n -1 38 GLY n -1 39 VAL n -1 40 ASP n -1 41 GLY n -1 42 GLU n -1 43 TRP n -1 44 THR n -1 45 TYR n -1 46 ASP n -1 47 ASP n -1 48 ALA n -1 49 THR n -1 50 LYS n -1 51 THR n -1 52 PHE n -1 53 THR n -1 54 VAL n -1 55 THR n -1 56 GLU n -# -loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' +_struct_sheet_range.end_auth_asym_id +_struct_sheet_range.symmetry +S1 1 MET 1 . A 1 MET 1 A GLY 9 . A 1 GLY 9 A ? +S1 2 LEU 12 . A 1 LEU 12 A ALA 20 . A 1 ALA 20 A ? +S1 3 GLU 42 . A 1 GLU 42 A ASP 46 . A 1 ASP 46 A ? # -loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -ASP N 1 N N CA SING -ASP N 2 N N H SING -ASP N 3 N N H2 SING -ASP N 4 N CA C SING -ASP N 5 N CA CB SING -ASP N 6 N CA HA SING -ASP N 7 N C O DOUB -ASP N 8 N C OXT SING -ASP N 9 N CB CG SING -ASP N 10 N CB HB2 SING -ASP N 11 N CB HB3 SING -ASP N 12 N CG OD1 DOUB -ASP N 13 N CG OD2 SING -ASP N 14 N OD2 HD2 SING -ASP N 15 N OXT HXT SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -MET N 1 N N CA SING -MET N 2 N N H SING -MET N 3 N N H2 SING -MET N 4 N CA C SING -MET N 5 N CA CB SING -MET N 6 N CA HA SING -MET N 7 N C O DOUB -MET N 8 N C OXT SING -MET N 9 N CB CG SING -MET N 10 N CB HB2 SING -MET N 11 N CB HB3 SING -MET N 12 N CG SD SING -MET N 13 N CG HG2 SING -MET N 14 N CG HG3 SING -MET N 15 N SD CE SING -MET N 16 N CE HE1 SING -MET N 17 N CE HE2 SING -MET N 18 N CE HE3 SING -MET N 19 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TRP N 1 N N CA SING -TRP N 2 N N H SING -TRP N 3 N N H2 SING -TRP N 4 N CA C SING -TRP N 5 N CA CB SING -TRP N 6 N CA HA SING -TRP N 7 N C O DOUB -TRP N 8 N C OXT SING -TRP N 9 N CB CG SING -TRP N 10 N CB HB2 SING -TRP N 11 N CB HB3 SING -TRP N 12 Y CG CD1 DOUB -TRP N 13 Y CG CD2 SING -TRP N 14 Y CD1 NE1 SING -TRP N 15 N CD1 HD1 SING -TRP N 16 Y CD2 CE2 DOUB -TRP N 17 Y CD2 CE3 SING -TRP N 18 Y NE1 CE2 SING -TRP N 19 N NE1 HE1 SING -TRP N 20 Y CE2 CZ2 SING -TRP N 21 Y CE3 CZ3 DOUB -TRP N 22 N CE3 HE3 SING -TRP N 23 Y CZ2 CH2 DOUB -TRP N 24 N CZ2 HZ2 SING -TRP N 25 Y CZ3 CH2 SING -TRP N 26 N CZ3 HZ3 SING -TRP N 27 N CH2 HH2 SING -TRP N 28 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_database_PDB_matrix.entry_id 1PGA +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 1PGA _atom_sites.fract_transf_matrix[1][1] 0.026999 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.039866 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.019502 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -B 2 HOH 1 57 57 HOH HOH A . -B 2 HOH 2 58 58 HOH HOH A . -B 2 HOH 3 59 59 HOH HOH A . -B 2 HOH 4 60 60 HOH HOH A . -B 2 HOH 5 61 61 HOH HOH A . -B 2 HOH 6 62 62 HOH HOH A . -B 2 HOH 7 63 63 HOH HOH A . -B 2 HOH 8 64 64 HOH HOH A . -B 2 HOH 9 65 65 HOH HOH A . -B 2 HOH 10 66 66 HOH HOH A . -B 2 HOH 11 67 67 HOH HOH A . -B 2 HOH 12 68 68 HOH HOH A . -B 2 HOH 13 69 69 HOH HOH A . -B 2 HOH 14 70 70 HOH HOH A . -B 2 HOH 15 71 71 HOH HOH A . -B 2 HOH 16 72 72 HOH HOH A . -B 2 HOH 17 73 73 HOH HOH A . -B 2 HOH 18 74 74 HOH HOH A . -B 2 HOH 19 75 75 HOH HOH A . -B 2 HOH 20 76 76 HOH HOH A . +_atom_type.symbol +C +N +O +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -561,469 +509,668 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . MET A 1 1 . 26.778 34.213 35.880 1.00 14.61 ? N MET A 1 1 -ATOM 2 C CA . MET A 1 1 . 26.659 32.769 36.242 1.00 16.66 ? CA MET A 1 1 -ATOM 3 C C . MET A 1 1 . 27.468 31.927 35.268 1.00 16.16 ? C MET A 1 1 -ATOM 4 O O . MET A 1 1 . 27.699 32.342 34.110 1.00 15.79 ? O MET A 1 1 -ATOM 5 C CB . MET A 1 1 . 25.202 32.296 36.219 1.00 15.87 ? CB MET A 1 1 -ATOM 6 C CG . MET A 1 1 . 24.345 32.901 37.319 1.00 18.67 ? CG MET A 1 1 -ATOM 7 S SD . MET A 1 1 . 22.647 32.419 37.205 1.00 18.22 ? SD MET A 1 1 -ATOM 8 C CE . MET A 1 1 . 22.101 32.510 39.040 1.00 18.66 ? CE MET A 1 1 -ATOM 9 N N . THR A 1 2 . 27.942 30.785 35.765 1.00 12.62 ? N THR A 2 1 -ATOM 10 C CA . THR A 1 2 . 28.716 29.848 34.951 1.00 13.11 ? CA THR A 2 1 -ATOM 11 C C . THR A 1 2 . 27.810 28.681 34.500 1.00 12.17 ? C THR A 2 1 -ATOM 12 O O . THR A 1 2 . 27.190 28.014 35.349 1.00 11.81 ? O THR A 2 1 -ATOM 13 C CB . THR A 1 2 . 29.874 29.309 35.740 1.00 11.99 ? CB THR A 2 1 -ATOM 14 O OG1 . THR A 1 2 . 30.690 30.402 36.160 1.00 14.02 ? OG1 THR A 2 1 -ATOM 15 C CG2 . THR A 1 2 . 30.703 28.380 34.901 1.00 12.76 ? CG2 THR A 2 1 -ATOM 16 N N . TYR A 1 3 . 27.727 28.474 33.178 1.00 10.5 ? N TYR A 3 1 -ATOM 17 C CA . TYR A 1 3 . 26.925 27.439 32.581 1.00 8.87 ? CA TYR A 3 1 -ATOM 18 C C . TYR A 1 3 . 27.786 26.384 31.926 1.00 10.84 ? C TYR A 3 1 -ATOM 19 O O . TYR A 1 3 . 28.925 26.623 31.562 1.00 9 ? O TYR A 3 1 -ATOM 20 C CB . TYR A 1 3 . 25.980 28.003 31.552 1.00 9.75 ? CB TYR A 3 1 -ATOM 21 C CG . TYR A 1 3 . 25.043 29.056 32.084 1.00 9.86 ? CG TYR A 3 1 -ATOM 22 C CD1 . TYR A 1 3 . 25.494 30.368 32.275 1.00 9.28 ? CD1 TYR A 3 1 -ATOM 23 C CD2 . TYR A 1 3 . 23.704 28.754 32.362 1.00 8.58 ? CD2 TYR A 3 1 -ATOM 24 C CE1 . TYR A 1 3 . 24.649 31.353 32.728 1.00 10.76 ? CE1 TYR A 3 1 -ATOM 25 C CE2 . TYR A 1 3 . 22.841 29.745 32.816 1.00 12.25 ? CE2 TYR A 3 1 -ATOM 26 C CZ . TYR A 1 3 . 23.334 31.057 32.992 1.00 9.45 ? CZ TYR A 3 1 -ATOM 27 O OH . TYR A 1 3 . 22.507 32.070 33.389 1.00 10.01 ? OH TYR A 3 1 -ATOM 28 N N . LYS A 1 4 . 27.209 25.188 31.822 1.00 9.35 ? N LYS A 4 1 -ATOM 29 C CA . LYS A 1 4 . 27.880 24.053 31.245 1.00 12.62 ? CA LYS A 4 1 -ATOM 30 C C . LYS A 1 4 . 27.146 23.549 30.005 1.00 10.41 ? C LYS A 4 1 -ATOM 31 O O . LYS A 1 4 . 25.927 23.642 29.883 1.00 8.07 ? O LYS A 4 1 -ATOM 32 C CB . LYS A 1 4 . 27.980 22.919 32.276 1.00 16.64 ? CB LYS A 4 1 -ATOM 33 C CG . LYS A 1 4 . 28.614 21.682 31.687 1.00 23.52 ? CG LYS A 4 1 -ATOM 34 C CD . LYS A 1 4 . 29.133 20.761 32.750 1.00 26.11 ? CD LYS A 4 1 -ATOM 35 C CE . LYS A 1 4 . 28.104 19.671 33.082 1.00 32.58 ? CE LYS A 4 1 -ATOM 36 N NZ . LYS A 1 4 . 28.622 18.689 34.151 1.00 33.4 ? NZ LYS A 4 1 -ATOM 37 N N . LEU A 1 5 . 27.906 23.017 29.076 1.00 8.27 ? N LEU A 5 1 -ATOM 38 C CA . LEU A 1 5 . 27.287 22.492 27.893 1.00 5.95 ? CA LEU A 5 1 -ATOM 39 C C . LEU A 1 5 . 27.787 21.089 27.755 1.00 6.29 ? C LEU A 5 1 -ATOM 40 O O . LEU A 1 5 . 28.980 20.881 27.827 1.00 5.25 ? O LEU A 5 1 -ATOM 41 C CB . LEU A 1 5 . 27.718 23.274 26.662 1.00 5.32 ? CB LEU A 5 1 -ATOM 42 C CG . LEU A 1 5 . 27.273 22.663 25.316 1.00 3.5 ? CG LEU A 5 1 -ATOM 43 C CD1 . LEU A 1 5 . 25.786 22.592 25.165 1.00 2.85 ? CD1 LEU A 5 1 -ATOM 44 C CD2 . LEU A 1 5 . 27.883 23.370 24.177 1.00 2.99 ? CD2 LEU A 5 1 -ATOM 45 N N . ILE A 1 6 . 26.872 20.127 27.677 1.00 4.84 ? N ILE A 6 1 -ATOM 46 C CA . ILE A 1 6 . 27.234 18.718 27.430 1.00 6.82 ? CA ILE A 6 1 -ATOM 47 C C . ILE A 1 6 . 26.857 18.445 25.938 1.00 6.98 ? C ILE A 6 1 -ATOM 48 O O . ILE A 1 6 . 25.684 18.610 25.488 1.00 5.7 ? O ILE A 6 1 -ATOM 49 C CB . ILE A 1 6 . 26.539 17.774 28.431 1.00 7.7 ? CB ILE A 6 1 -ATOM 50 C CG1 . ILE A 1 6 . 26.929 18.189 29.827 1.00 8.62 ? CG1 ILE A 6 1 -ATOM 51 C CG2 . ILE A 1 6 . 26.965 16.283 28.223 1.00 8.79 ? CG2 ILE A 6 1 -ATOM 52 C CD1 . ILE A 1 6 . 26.270 17.302 30.804 1.00 10.87 ? CD1 ILE A 6 1 -ATOM 53 N N . LEU A 1 7 . 27.883 18.141 25.160 1.00 6.28 ? N LEU A 7 1 -ATOM 54 C CA . LEU A 1 7 . 27.753 17.891 23.727 1.00 6.59 ? CA LEU A 7 1 -ATOM 55 C C . LEU A 1 7 . 27.760 16.412 23.441 1.00 6.58 ? C LEU A 7 1 -ATOM 56 O O . LEU A 1 7 . 28.779 15.768 23.693 1.00 6.52 ? O LEU A 7 1 -ATOM 57 C CB . LEU A 1 7 . 28.948 18.512 22.941 1.00 6.2 ? CB LEU A 7 1 -ATOM 58 C CG . LEU A 1 7 . 29.329 19.998 23.037 1.00 7.38 ? CG LEU A 7 1 -ATOM 59 C CD1 . LEU A 1 7 . 30.665 20.164 23.746 1.00 5.51 ? CD1 LEU A 7 1 -ATOM 60 C CD2 . LEU A 1 7 . 29.401 20.599 21.670 1.00 5.66 ? CD2 LEU A 7 1 -ATOM 61 N N . ASN A 1 8 . 26.656 15.886 22.895 1.00 7.07 ? N ASN A 8 1 -ATOM 62 C CA . ASN A 1 8 . 26.607 14.472 22.512 1.00 8.36 ? CA ASN A 8 1 -ATOM 63 C C . ASN A 1 8 . 26.394 14.448 21.001 1.00 6.87 ? C ASN A 8 1 -ATOM 64 O O . ASN A 1 8 . 25.320 14.170 20.496 1.00 4.58 ? O ASN A 8 1 -ATOM 65 C CB . ASN A 1 8 . 25.509 13.703 23.253 1.00 11.84 ? CB ASN A 8 1 -ATOM 66 C CG . ASN A 1 8 . 25.427 12.198 22.812 1.00 17.44 ? CG ASN A 8 1 -ATOM 67 O OD1 . ASN A 1 8 . 26.442 11.493 22.723 1.00 17.86 ? OD1 ASN A 8 1 -ATOM 68 N ND2 . ASN A 1 8 . 24.216 11.740 22.470 1.00 19.85 ? ND2 ASN A 8 1 -ATOM 69 N N . GLY A 1 9 . 27.390 14.850 20.248 1.00 6.96 ? N GLY A 9 1 -ATOM 70 C CA . GLY A 1 9 . 27.190 14.807 18.805 1.00 6.92 ? CA GLY A 9 1 -ATOM 71 C C . GLY A 1 9 . 27.687 13.461 18.292 1.00 8.02 ? C GLY A 9 1 -ATOM 72 O O . GLY A 1 9 . 28.202 12.631 19.096 1.00 7.55 ? O GLY A 9 1 -ATOM 73 N N . LYS A 1 10 . 27.644 13.275 16.967 1.00 7.38 ? N LYS A 10 1 -ATOM 74 C CA . LYS A 1 10 . 28.097 12.053 16.383 1.00 7.81 ? CA LYS A 10 1 -ATOM 75 C C . LYS A 1 10 . 29.608 12.016 16.332 1.00 8 ? C LYS A 10 1 -ATOM 76 O O . LYS A 1 10 . 30.227 10.985 16.633 1.00 5.03 ? O LYS A 10 1 -ATOM 77 C CB . LYS A 1 10 . 27.505 11.913 15.016 1.00 11.98 ? CB LYS A 10 1 -ATOM 78 C CG . LYS A 1 10 . 26.053 11.530 15.078 1.00 16.38 ? CG LYS A 10 1 -ATOM 79 C CD . LYS A 1 10 . 25.221 12.127 13.918 1.00 24.2 ? CD LYS A 10 1 -ATOM 80 C CE . LYS A 1 10 . 25.741 11.707 12.492 1.00 27.12 ? CE LYS A 10 1 -ATOM 81 N NZ . LYS A 1 10 . 24.966 12.355 11.327 1.00 27.49 ? NZ LYS A 10 1 -ATOM 82 N N . THR A 1 11 . 30.199 13.192 16.095 1.00 7.5 ? N THR A 11 1 -ATOM 83 C CA . THR A 1 11 . 31.651 13.369 15.973 1.00 8.2 ? CA THR A 11 1 -ATOM 84 C C . THR A 1 11 . 32.334 13.991 17.218 1.00 7.89 ? C THR A 11 1 -ATOM 85 O O . THR A 1 11 . 33.420 13.607 17.586 1.00 7.61 ? O THR A 11 1 -ATOM 86 C CB . THR A 1 11 . 31.956 14.339 14.801 1.00 9.35 ? CB THR A 11 1 -ATOM 87 O OG1 . THR A 1 11 . 31.318 13.897 13.603 1.00 10.85 ? OG1 THR A 11 1 -ATOM 88 C CG2 . THR A 1 11 . 33.421 14.517 14.602 1.00 12.32 ? CG2 THR A 11 1 -ATOM 89 N N . LEU A 1 12 . 31.689 14.980 17.820 1.00 8.58 ? N LEU A 12 1 -ATOM 90 C CA . LEU A 1 12 . 32.240 15.708 18.937 1.00 7.27 ? CA LEU A 12 1 -ATOM 91 C C . LEU A 1 12 . 31.473 15.439 20.241 1.00 7.67 ? C LEU A 12 1 -ATOM 92 O O . LEU A 1 12 . 30.249 15.645 20.358 1.00 7.27 ? O LEU A 12 1 -ATOM 93 C CB . LEU A 1 12 . 32.162 17.199 18.564 1.00 8.71 ? CB LEU A 12 1 -ATOM 94 C CG . LEU A 1 12 . 33.156 18.300 18.949 1.00 10.48 ? CG LEU A 12 1 -ATOM 95 C CD1 . LEU A 1 12 . 32.341 19.601 19.228 1.00 9.21 ? CD1 LEU A 12 1 -ATOM 96 C CD2 . LEU A 1 12 . 34.036 17.907 20.136 1.00 8.42 ? CD2 LEU A 12 1 -ATOM 97 N N . LYS A 1 13 . 32.202 15.087 21.265 1.00 5.43 ? N LYS A 13 1 -ATOM 98 C CA . LYS A 1 13 . 31.559 14.806 22.513 1.00 7.07 ? CA LYS A 13 1 -ATOM 99 C C . LYS A 1 13 . 32.382 15.429 23.592 1.00 7.64 ? C LYS A 13 1 -ATOM 100 O O . LYS A 1 13 . 33.586 15.394 23.538 1.00 6.64 ? O LYS A 13 1 -ATOM 101 C CB . LYS A 1 13 . 31.508 13.303 22.723 1.00 8.04 ? CB LYS A 13 1 -ATOM 102 C CG . LYS A 1 13 . 30.511 12.591 21.829 1.00 9.13 ? CG LYS A 13 1 -ATOM 103 C CD . LYS A 1 13 . 30.582 11.080 22.038 1.00 9.99 ? CD LYS A 13 1 -ATOM 104 C CE . LYS A 1 13 . 29.510 10.370 21.214 1.00 9.64 ? CE LYS A 13 1 -ATOM 105 N NZ . LYS A 1 13 . 29.903 10.422 19.840 1.00 9.79 ? NZ LYS A 13 1 -ATOM 106 N N . GLY A 1 14 . 31.742 16.049 24.564 1.00 8.08 ? N GLY A 14 1 -ATOM 107 C CA . GLY A 1 14 . 32.551 16.607 25.608 1.00 10.91 ? CA GLY A 14 1 -ATOM 108 C C . GLY A 1 14 . 31.784 17.507 26.519 1.00 13.82 ? C GLY A 14 1 -ATOM 109 O O . GLY A 1 14 . 30.540 17.459 26.526 1.00 12.43 ? O GLY A 14 1 -ATOM 110 N N . GLU A 1 15 . 32.511 18.353 27.246 1.00 12.18 ? N GLU A 15 1 -ATOM 111 C CA . GLU A 1 15 . 31.885 19.251 28.169 1.00 13.37 ? CA GLU A 15 1 -ATOM 112 C C . GLU A 1 15 . 32.675 20.541 28.212 1.00 13.44 ? C GLU A 15 1 -ATOM 113 O O . GLU A 1 15 . 33.918 20.512 28.139 1.00 11.68 ? O GLU A 15 1 -ATOM 114 C CB . GLU A 1 15 . 31.955 18.585 29.514 1.00 16.38 ? CB GLU A 15 1 -ATOM 115 C CG . GLU A 1 15 . 31.160 19.175 30.617 1.00 20.75 ? CG GLU A 15 1 -ATOM 116 C CD . GLU A 1 15 . 30.988 18.128 31.732 1.00 22.61 ? CD GLU A 15 1 -ATOM 117 O OE1 . GLU A 1 15 . 30.231 17.132 31.558 1.00 24.56 ? OE1 GLU A 15 1 -ATOM 118 O OE2 . GLU A 1 15 . 31.675 18.255 32.749 1.00 22.88 ? OE2 GLU A 15 1 -ATOM 119 N N . THR A 1 16 . 31.962 21.662 28.166 1.00 10.94 ? N THR A 16 1 -ATOM 120 C CA . THR A 1 16 . 32.590 22.952 28.314 1.00 12.35 ? CA THR A 16 1 -ATOM 121 C C . THR A 1 16 . 31.657 23.748 29.154 1.00 11.69 ? C THR A 16 1 -ATOM 122 O O . THR A 1 16 . 30.560 23.313 29.424 1.00 9.43 ? O THR A 16 1 -ATOM 123 C CB . THR A 1 16 . 32.843 23.745 27.020 1.00 13.36 ? CB THR A 16 1 -ATOM 124 O OG1 . THR A 1 16 . 31.691 23.719 26.139 1.00 16.26 ? OG1 THR A 16 1 -ATOM 125 C CG2 . THR A 1 16 . 34.010 23.231 26.342 1.00 20.68 ? CG2 THR A 16 1 -ATOM 126 N N . THR A 1 17 . 32.102 24.933 29.549 1.00 12.87 ? N THR A 17 1 -ATOM 127 C CA . THR A 1 17 . 31.337 25.872 30.369 1.00 13.13 ? CA THR A 17 1 -ATOM 128 C C . THR A 1 17 . 31.442 27.293 29.794 1.00 15.23 ? C THR A 17 1 -ATOM 129 O O . THR A 1 17 . 32.280 27.575 28.937 1.00 12.64 ? O THR A 17 1 -ATOM 130 C CB . THR A 1 17 . 31.906 25.957 31.777 1.00 13.66 ? CB THR A 17 1 -ATOM 131 O OG1 . THR A 1 17 . 33.175 26.606 31.730 1.00 12.04 ? OG1 THR A 17 1 -ATOM 132 C CG2 . THR A 1 17 . 32.089 24.590 32.337 1.00 12.62 ? CG2 THR A 17 1 -ATOM 133 N N . THR A 1 18 . 30.560 28.182 30.238 1.00 13.46 ? N THR A 18 1 -ATOM 134 C CA . THR A 1 18 . 30.648 29.569 29.782 1.00 16.1 ? CA THR A 18 1 -ATOM 135 C C . THR A 1 18 . 30.183 30.439 30.924 1.00 15.95 ? C THR A 18 1 -ATOM 136 O O . THR A 1 18 . 29.659 29.918 31.883 1.00 16 ? O THR A 18 1 -ATOM 137 C CB . THR A 1 18 . 29.809 29.875 28.486 1.00 15.44 ? CB THR A 18 1 -ATOM 138 O OG1 . THR A 1 18 . 30.308 31.072 27.882 1.00 14.31 ? OG1 THR A 18 1 -ATOM 139 C CG2 . THR A 1 18 . 28.342 30.070 28.789 1.00 15.16 ? CG2 THR A 18 1 -ATOM 140 N N . GLU A 1 19 . 30.512 31.719 30.863 1.00 14.78 ? N GLU A 19 1 -ATOM 141 C CA . GLU A 1 19 . 30.112 32.696 31.870 1.00 18.12 ? CA GLU A 19 1 -ATOM 142 C C . GLU A 1 19 . 29.090 33.566 31.129 1.00 14.65 ? C GLU A 19 1 -ATOM 143 O O . GLU A 1 19 . 29.308 33.925 29.998 1.00 16.84 ? O GLU A 19 1 -ATOM 144 C CB . GLU A 1 19 . 31.332 33.552 32.303 1.00 22.39 ? CB GLU A 19 1 -ATOM 145 C CG . GLU A 1 19 . 31.413 33.990 33.814 1.00 28.69 ? CG GLU A 19 1 -ATOM 146 C CD . GLU A 1 19 . 30.348 35.085 34.267 1.00 35.12 ? CD GLU A 19 1 -ATOM 147 O OE1 . GLU A 1 19 . 29.864 35.904 33.419 1.00 35.81 ? OE1 GLU A 19 1 -ATOM 148 O OE2 . GLU A 1 19 . 30.010 35.143 35.495 1.00 33.84 ? OE2 GLU A 19 1 -ATOM 149 N N . ALA A 1 20 . 27.930 33.807 31.698 1.00 11.79 ? N ALA A 20 1 -ATOM 150 C CA . ALA A 1 20 . 26.954 34.653 31.011 1.00 11.11 ? CA ALA A 20 1 -ATOM 151 C C . ALA A 1 20 . 25.998 35.271 32.023 1.00 11.25 ? C ALA A 20 1 -ATOM 152 O O . ALA A 1 20 . 25.861 34.745 33.095 1.00 10.25 ? O ALA A 20 1 -ATOM 153 C CB . ALA A 1 20 . 26.175 33.859 29.917 1.00 10.3 ? CB ALA A 20 1 -ATOM 154 N N . VAL A 1 21 . 25.406 36.414 31.687 1.00 11.64 ? N VAL A 21 1 -ATOM 155 C CA . VAL A 1 21 . 24.428 37.125 32.548 1.00 13.5 ? CA VAL A 21 1 -ATOM 156 C C . VAL A 1 21 . 23.176 36.342 32.872 1.00 13.35 ? C VAL A 21 1 -ATOM 157 O O . VAL A 1 21 . 22.648 36.441 33.968 1.00 13.8 ? O VAL A 21 1 -ATOM 158 C CB . VAL A 1 21 . 23.894 38.488 31.924 1.00 15 ? CB VAL A 21 1 -ATOM 159 C CG1 . VAL A 1 21 . 24.715 39.622 32.402 1.00 13.17 ? CG1 VAL A 21 1 -ATOM 160 C CG2 . VAL A 1 21 . 23.842 38.429 30.361 1.00 13.88 ? CG2 VAL A 21 1 -ATOM 161 N N . ASP A 1 22 . 22.687 35.605 31.888 1.00 12.32 ? N ASP A 22 1 -ATOM 162 C CA . ASP A 1 22 . 21.526 34.808 32.082 1.00 10.39 ? CA ASP A 22 1 -ATOM 163 C C . ASP A 1 22 . 21.599 33.656 31.128 1.00 10.5 ? C ASP A 22 1 -ATOM 164 O O . ASP A 1 22 . 22.473 33.619 30.238 1.00 9.88 ? O ASP A 22 1 -ATOM 165 C CB . ASP A 1 22 . 20.243 35.635 31.899 1.00 11.05 ? CB ASP A 22 1 -ATOM 166 C CG . ASP A 1 22 . 20.069 36.160 30.520 1.00 12.87 ? CG ASP A 22 1 -ATOM 167 O OD1 . ASP A 1 22 . 20.821 35.774 29.607 1.00 16.26 ? OD1 ASP A 22 1 -ATOM 168 O OD2 . ASP A 1 22 . 19.146 36.972 30.319 1.00 16.47 ? OD2 ASP A 22 1 -ATOM 169 N N . ALA A 1 23 . 20.639 32.740 31.269 1.00 8.81 ? N ALA A 23 1 -ATOM 170 C CA . ALA A 1 23 . 20.561 31.551 30.430 1.00 6.96 ? CA ALA A 23 1 -ATOM 171 C C . ALA A 1 23 . 20.321 31.844 28.931 1.00 5.92 ? C ALA A 23 1 -ATOM 172 O O . ALA A 1 23 . 20.824 31.129 28.069 1.00 8.19 ? O ALA A 23 1 -ATOM 173 C CB . ALA A 1 23 . 19.503 30.664 30.975 1.00 6.19 ? CB ALA A 23 1 -ATOM 174 N N . ALA A 1 24 . 19.543 32.880 28.616 1.00 4.63 ? N ALA A 24 1 -ATOM 175 C CA . ALA A 1 24 . 19.237 33.239 27.218 1.00 5.79 ? CA ALA A 24 1 -ATOM 176 C C . ALA A 1 24 . 20.490 33.638 26.483 1.00 6.14 ? C ALA A 24 1 -ATOM 177 O O . ALA A 1 24 . 20.643 33.370 25.310 1.00 8.27 ? O ALA A 24 1 -ATOM 178 C CB . ALA A 1 24 . 18.162 34.389 27.146 1.00 5.79 ? CB ALA A 24 1 -ATOM 179 N N . THR A 1 25 . 21.411 34.253 27.198 1.00 7.31 ? N THR A 25 1 -ATOM 180 C CA . THR A 1 25 . 22.642 34.663 26.595 1.00 7.61 ? CA THR A 25 1 -ATOM 181 C C . THR A 1 25 . 23.567 33.440 26.482 1.00 8.29 ? C THR A 25 1 -ATOM 182 O O . THR A 1 25 . 24.190 33.275 25.431 1.00 7.36 ? O THR A 25 1 -ATOM 183 C CB . THR A 1 25 . 23.295 35.861 27.358 1.00 9.87 ? CB THR A 25 1 -ATOM 184 O OG1 . THR A 1 25 . 22.376 36.945 27.421 1.00 15.99 ? OG1 THR A 25 1 -ATOM 185 C CG2 . THR A 1 25 . 24.436 36.418 26.612 1.00 7.83 ? CG2 THR A 25 1 -ATOM 186 N N . ALA A 1 26 . 23.632 32.570 27.510 1.00 6.72 ? N ALA A 26 1 -ATOM 187 C CA . ALA A 1 26 . 24.499 31.366 27.438 1.00 9.64 ? CA ALA A 26 1 -ATOM 188 C C . ALA A 1 26 . 24.004 30.444 26.304 1.00 10.01 ? C ALA A 26 1 -ATOM 189 O O . ALA A 1 26 . 24.795 29.892 25.550 1.00 10.49 ? O ALA A 26 1 -ATOM 190 C CB . ALA A 1 26 . 24.554 30.606 28.803 1.00 6.87 ? CB ALA A 26 1 -ATOM 191 N N . GLU A 1 27 . 22.691 30.378 26.130 1.00 11.53 ? N GLU A 27 1 -ATOM 192 C CA . GLU A 1 27 . 22.101 29.590 25.062 1.00 13.51 ? CA GLU A 27 1 -ATOM 193 C C . GLU A 1 27 . 22.566 30.053 23.656 1.00 13.78 ? C GLU A 27 1 -ATOM 194 O O . GLU A 1 27 . 22.766 29.254 22.743 1.00 12.47 ? O GLU A 27 1 -ATOM 195 C CB . GLU A 1 27 . 20.587 29.689 25.128 1.00 15.82 ? CB GLU A 27 1 -ATOM 196 C CG . GLU A 1 27 . 19.983 28.615 24.307 1.00 21.36 ? CG GLU A 27 1 -ATOM 197 C CD . GLU A 1 27 . 18.724 29.052 23.663 1.00 23.07 ? CD GLU A 27 1 -ATOM 198 O OE1 . GLU A 1 27 . 17.994 29.851 24.306 1.00 25.94 ? OE1 GLU A 27 1 -ATOM 199 O OE2 . GLU A 1 27 . 18.462 28.615 22.521 1.00 23.21 ? OE2 GLU A 27 1 -ATOM 200 N N . LYS A 1 28 . 22.706 31.360 23.469 1.00 15.31 ? N LYS A 28 1 -ATOM 201 C CA . LYS A 1 28 . 23.180 31.932 22.177 1.00 13.12 ? CA LYS A 28 1 -ATOM 202 C C . LYS A 1 28 . 24.673 31.606 21.915 1.00 9.68 ? C LYS A 28 1 -ATOM 203 O O . LYS A 1 28 . 25.086 31.328 20.783 1.00 8.78 ? O LYS A 28 1 -ATOM 204 C CB . LYS A 1 28 . 23.016 33.469 22.176 1.00 14.23 ? CB LYS A 28 1 -ATOM 205 C CG . LYS A 1 28 . 21.731 34.012 21.531 1.00 17.45 ? CG LYS A 28 1 -ATOM 206 C CD . LYS A 1 28 . 20.541 34.029 22.467 1.00 18.36 ? CD LYS A 28 1 -ATOM 207 C CE . LYS A 1 28 . 19.944 32.644 22.755 1.00 18.63 ? CE LYS A 28 1 -ATOM 208 N NZ . LYS A 1 28 . 18.765 32.791 23.728 1.00 17.32 ? NZ LYS A 28 1 -ATOM 209 N N . VAL A 1 29 . 25.471 31.760 22.968 1.00 8.13 ? N VAL A 29 1 -ATOM 210 C CA . VAL A 1 29 . 26.885 31.515 22.924 1.00 7.52 ? CA VAL A 29 1 -ATOM 211 C C . VAL A 1 29 . 27.147 30.039 22.603 1.00 6.4 ? C VAL A 29 1 -ATOM 212 O O . VAL A 1 29 . 27.990 29.702 21.779 1.00 6.66 ? O VAL A 29 1 -ATOM 213 C CB . VAL A 1 29 . 27.486 31.891 24.303 1.00 7.57 ? CB VAL A 29 1 -ATOM 214 C CG1 . VAL A 1 29 . 28.899 31.370 24.409 1.00 7.89 ? CG1 VAL A 29 1 -ATOM 215 C CG2 . VAL A 1 29 . 27.458 33.433 24.518 1.00 6.16 ? CG2 VAL A 29 1 -ATOM 216 N N . PHE A 1 30 . 26.469 29.154 23.332 1.00 7.49 ? N PHE A 30 1 -ATOM 217 C CA . PHE A 1 30 . 26.606 27.707 23.121 1.00 7.01 ? CA PHE A 30 1 -ATOM 218 C C . PHE A 1 30 . 26.136 27.212 21.756 1.00 7.21 ? C PHE A 30 1 -ATOM 219 O O . PHE A 1 30 . 26.792 26.404 21.128 1.00 6.86 ? O PHE A 30 1 -ATOM 220 C CB . PHE A 1 30 . 25.893 26.960 24.228 1.00 7 ? CB PHE A 30 1 -ATOM 221 C CG . PHE A 1 30 . 26.665 26.936 25.514 1.00 6.05 ? CG PHE A 30 1 -ATOM 222 C CD1 . PHE A 1 30 . 28.066 26.954 25.508 1.00 4.97 ? CD1 PHE A 30 1 -ATOM 223 C CD2 . PHE A 1 30 . 26.001 26.842 26.735 1.00 4.7 ? CD2 PHE A 30 1 -ATOM 224 C CE1 . PHE A 1 30 . 28.786 26.873 26.704 1.00 3.77 ? CE1 PHE A 30 1 -ATOM 225 C CE2 . PHE A 1 30 . 26.724 26.763 27.921 1.00 4.13 ? CE2 PHE A 30 1 -ATOM 226 C CZ . PHE A 1 30 . 28.118 26.780 27.893 1.00 2.96 ? CZ PHE A 30 1 -ATOM 227 N N . LYS A 1 31 . 25.007 27.737 21.289 1.00 9.22 ? N LYS A 31 1 -ATOM 228 C CA . LYS A 1 31 . 24.465 27.362 20.003 1.00 9.74 ? CA LYS A 31 1 -ATOM 229 C C . LYS A 1 31 . 25.468 27.769 18.973 1.00 10.79 ? C LYS A 31 1 -ATOM 230 O O . LYS A 1 31 . 25.726 27.029 18.067 1.00 11.32 ? O LYS A 31 1 -ATOM 231 C CB . LYS A 1 31 . 23.164 28.080 19.739 1.00 10.71 ? CB LYS A 31 1 -ATOM 232 C CG . LYS A 1 31 . 21.959 27.448 20.394 1.00 15 ? CG LYS A 31 1 -ATOM 233 C CD . LYS A 1 31 . 21.142 26.655 19.377 1.00 18.28 ? CD LYS A 31 1 -ATOM 234 C CE . LYS A 1 31 . 19.630 26.666 19.692 1.00 20.79 ? CE LYS A 31 1 -ATOM 235 N NZ . LYS A 1 31 . 19.282 26.112 21.023 1.00 19.71 ? NZ LYS A 31 1 -ATOM 236 N N . GLN A 1 32 . 26.018 28.963 19.088 1.00 9.07 ? N GLN A 32 1 -ATOM 237 C CA . GLN A 1 32 . 27.009 29.365 18.127 1.00 10.35 ? CA GLN A 32 1 -ATOM 238 C C . GLN A 1 32 . 28.242 28.433 18.223 1.00 9.02 ? C GLN A 32 1 -ATOM 239 O O . GLN A 1 32 . 28.852 28.088 17.218 1.00 8.6 ? O GLN A 32 1 -ATOM 240 C CB . GLN A 1 32 . 27.401 30.823 18.374 1.00 11.61 ? CB GLN A 32 1 -ATOM 241 C CG . GLN A 1 32 . 28.527 31.312 17.476 1.00 11.88 ? CG GLN A 32 1 -ATOM 242 C CD . GLN A 1 32 . 28.791 32.813 17.645 1.00 13.83 ? CD GLN A 32 1 -ATOM 243 O OE1 . GLN A 1 32 . 28.586 33.364 18.726 1.00 15.61 ? OE1 GLN A 32 1 -ATOM 244 N NE2 . GLN A 1 32 . 29.172 33.478 16.571 1.00 12.31 ? NE2 GLN A 32 1 -ATOM 245 N N . TYR A 1 33 . 28.656 28.118 19.451 1.00 8.39 ? N TYR A 33 1 -ATOM 246 C CA . TYR A 1 33 . 29.773 27.206 19.679 1.00 6.4 ? CA TYR A 33 1 -ATOM 247 C C . TYR A 1 33 . 29.509 25.862 18.941 1.00 5.87 ? C TYR A 33 1 -ATOM 248 O O . TYR A 1 33 . 30.320 25.372 18.149 1.00 4.8 ? O TYR A 33 1 -ATOM 249 C CB . TYR A 1 33 . 29.946 27.000 21.178 1.00 6.67 ? CB TYR A 33 1 -ATOM 250 C CG . TYR A 1 33 . 31.015 25.993 21.502 1.00 6.95 ? CG TYR A 33 1 -ATOM 251 C CD1 . TYR A 1 33 . 32.355 26.338 21.387 1.00 7.21 ? CD1 TYR A 33 1 -ATOM 252 C CD2 . TYR A 1 33 . 30.689 24.686 21.899 1.00 6.38 ? CD2 TYR A 33 1 -ATOM 253 C CE1 . TYR A 1 33 . 33.374 25.417 21.669 1.00 9.67 ? CE1 TYR A 33 1 -ATOM 254 C CE2 . TYR A 1 33 . 31.674 23.754 22.177 1.00 6.66 ? CE2 TYR A 33 1 -ATOM 255 C CZ . TYR A 1 33 . 33.027 24.125 22.072 1.00 8.46 ? CZ TYR A 33 1 -ATOM 256 O OH . TYR A 1 33 . 34.039 23.263 22.408 1.00 9.4 ? OH TYR A 33 1 -ATOM 257 N N . ALA A 1 34 . 28.338 25.291 19.178 1.00 7.5 ? N ALA A 34 1 -ATOM 258 C CA . ALA A 1 34 . 27.920 24.046 18.545 1.00 8.91 ? CA ALA A 34 1 -ATOM 259 C C . ALA A 1 34 . 27.949 24.186 17.057 1.00 10.19 ? C ALA A 34 1 -ATOM 260 O O . ALA A 1 34 . 28.450 23.338 16.372 1.00 9.37 ? O ALA A 34 1 -ATOM 261 C CB . ALA A 1 34 . 26.496 23.710 18.955 1.00 7.87 ? CB ALA A 34 1 -ATOM 262 N N . ASN A 1 35 . 27.384 25.279 16.574 1.00 11.9 ? N ASN A 35 1 -ATOM 263 C CA . ASN A 1 35 . 27.274 25.513 15.161 1.00 14.15 ? CA ASN A 35 1 -ATOM 264 C C . ASN A 1 35 . 28.633 25.557 14.477 1.00 13.33 ? C ASN A 35 1 -ATOM 265 O O . ASN A 1 35 . 28.846 24.927 13.425 1.00 10.58 ? O ASN A 35 1 -ATOM 266 C CB . ASN A 1 35 . 26.487 26.810 14.914 1.00 20.29 ? CB ASN A 35 1 -ATOM 267 C CG . ASN A 1 35 . 24.932 26.584 14.787 1.00 23.22 ? CG ASN A 35 1 -ATOM 268 O OD1 . ASN A 1 35 . 24.309 27.068 13.800 1.00 26.74 ? OD1 ASN A 35 1 -ATOM 269 N ND2 . ASN A 1 35 . 24.299 25.919 15.788 1.00 21.89 ? ND2 ASN A 35 1 -ATOM 270 N N . ASP A 1 36 . 29.550 26.286 15.097 1.00 10.96 ? N ASP A 36 1 -ATOM 271 C CA . ASP A 1 36 . 30.915 26.410 14.554 1.00 14.21 ? CA ASP A 36 1 -ATOM 272 C C . ASP A 1 36 . 31.675 25.089 14.557 1.00 9.94 ? C ASP A 36 1 -ATOM 273 O O . ASP A 1 36 . 32.637 24.933 13.842 1.00 11.88 ? O ASP A 36 1 -ATOM 274 C CB . ASP A 1 36 . 31.737 27.446 15.334 1.00 13.3 ? CB ASP A 36 1 -ATOM 275 C CG . ASP A 1 36 . 31.270 28.892 15.089 1.00 19.45 ? CG ASP A 36 1 -ATOM 276 O OD1 . ASP A 1 36 . 30.426 29.168 14.164 1.00 17.91 ? OD1 ASP A 36 1 -ATOM 277 O OD2 . ASP A 1 36 . 31.807 29.761 15.834 1.00 18.68 ? OD2 ASP A 36 1 -ATOM 278 N N . ASN A 1 37 . 31.237 24.154 15.379 1.00 10.35 ? N ASN A 37 1 -ATOM 279 C CA . ASN A 1 37 . 31.910 22.848 15.442 1.00 10.08 ? CA ASN A 37 1 -ATOM 280 C C . ASN A 1 37 . 31.204 21.703 14.705 1.00 8.66 ? C ASN A 37 1 -ATOM 281 O O . ASN A 1 37 . 31.499 20.533 14.960 1.00 10.48 ? O ASN A 37 1 -ATOM 282 C CB . ASN A 1 37 . 32.217 22.467 16.889 1.00 9.61 ? CB ASN A 37 1 -ATOM 283 C CG . ASN A 1 37 . 33.232 23.388 17.496 1.00 10.43 ? CG ASN A 37 1 -ATOM 284 O OD1 . ASN A 1 37 . 34.434 23.277 17.242 1.00 10.4 ? OD1 ASN A 37 1 -ATOM 285 N ND2 . ASN A 1 37 . 32.760 24.275 18.360 1.00 10.05 ? ND2 ASN A 37 1 -ATOM 286 N N . GLY A 1 38 . 30.255 22.076 13.847 1.00 7.27 ? N GLY A 38 1 -ATOM 287 C CA . GLY A 1 38 . 29.514 21.139 13.029 1.00 9.93 ? CA GLY A 38 1 -ATOM 288 C C . GLY A 1 38 . 28.423 20.349 13.682 1.00 9.26 ? C GLY A 38 1 -ATOM 289 O O . GLY A 1 38 . 27.981 19.401 13.076 1.00 10.47 ? O GLY A 38 1 -ATOM 290 N N . VAL A 1 39 . 28.018 20.735 14.895 1.00 9.93 ? N VAL A 39 1 -ATOM 291 C CA . VAL A 1 39 . 26.982 20.057 15.673 1.00 11.05 ? CA VAL A 39 1 -ATOM 292 C C . VAL A 1 39 . 25.623 20.694 15.351 1.00 13.05 ? C VAL A 39 1 -ATOM 293 O O . VAL A 1 39 . 25.519 21.922 15.147 1.00 13.46 ? O VAL A 39 1 -ATOM 294 C CB . VAL A 1 39 . 27.256 20.156 17.179 1.00 11.99 ? CB VAL A 39 1 -ATOM 295 C CG1 . VAL A 1 39 . 26.190 19.386 17.992 1.00 11.01 ? CG1 VAL A 39 1 -ATOM 296 C CG2 . VAL A 1 39 . 28.618 19.623 17.474 1.00 12.09 ? CG2 VAL A 39 1 -ATOM 297 N N . ASP A 1 40 . 24.627 19.823 15.237 1.00 12.8 ? N ASP A 40 1 -ATOM 298 C CA . ASP A 1 40 . 23.273 20.165 14.911 1.00 16.78 ? CA ASP A 40 1 -ATOM 299 C C . ASP A 1 40 . 22.364 19.106 15.560 1.00 16.32 ? C ASP A 40 1 -ATOM 300 O O . ASP A 1 40 . 22.057 18.080 14.952 1.00 17.59 ? O ASP A 40 1 -ATOM 301 C CB . ASP A 1 40 . 23.133 20.098 13.390 1.00 19.31 ? CB ASP A 40 1 -ATOM 302 C CG . ASP A 1 40 . 21.922 20.848 12.870 1.00 21.54 ? CG ASP A 40 1 -ATOM 303 O OD1 . ASP A 1 40 . 21.056 21.312 13.659 1.00 21.98 ? OD1 ASP A 40 1 -ATOM 304 O OD2 . ASP A 1 40 . 21.855 20.980 11.621 1.00 27 ? OD2 ASP A 40 1 -ATOM 305 N N . GLY A 1 41 . 21.933 19.353 16.786 1.00 15.38 ? N GLY A 41 1 -ATOM 306 C CA . GLY A 1 41 . 21.070 18.388 17.442 1.00 14.55 ? CA GLY A 41 1 -ATOM 307 C C . GLY A 1 41 . 19.901 18.972 18.209 1.00 13.77 ? C GLY A 41 1 -ATOM 308 O O . GLY A 1 41 . 19.433 20.086 17.910 1.00 14.74 ? O GLY A 41 1 -ATOM 309 N N . GLU A 1 42 . 19.370 18.175 19.131 1.00 14.03 ? N GLU A 42 1 -ATOM 310 C CA . GLU A 1 42 . 18.281 18.573 20.025 1.00 15.15 ? CA GLU A 42 1 -ATOM 311 C C . GLU A 1 42 . 18.921 19.078 21.289 1.00 13.42 ? C GLU A 42 1 -ATOM 312 O O . GLU A 1 42 . 19.965 18.538 21.727 1.00 9.64 ? O GLU A 42 1 -ATOM 313 C CB . GLU A 1 42 . 17.322 17.413 20.322 1.00 20.68 ? CB GLU A 42 1 -ATOM 314 C CG . GLU A 1 42 . 16.345 17.122 19.126 1.00 26.2 ? CG GLU A 42 1 -ATOM 315 C CD . GLU A 1 42 . 15.372 15.922 19.367 1.00 32.15 ? CD GLU A 42 1 -ATOM 316 O OE1 . GLU A 1 42 . 15.872 14.870 19.871 1.00 32.35 ? OE1 GLU A 42 1 -ATOM 317 O OE2 . GLU A 1 42 . 14.131 16.030 19.037 1.00 31.5 ? OE2 GLU A 42 1 -ATOM 318 N N . TRP A 1 43 . 18.309 20.141 21.827 1.00 10.4 ? N TRP A 43 1 -ATOM 319 C CA . TRP A 1 43 . 18.773 20.830 23.024 1.00 8.43 ? CA TRP A 43 1 -ATOM 320 C C . TRP A 1 43 . 17.801 20.725 24.189 1.00 9.38 ? C TRP A 43 1 -ATOM 321 O O . TRP A 1 43 . 16.599 20.589 24.004 1.00 10.29 ? O TRP A 43 1 -ATOM 322 C CB . TRP A 1 43 . 18.916 22.349 22.770 1.00 8.33 ? CB TRP A 43 1 -ATOM 323 C CG . TRP A 1 43 . 19.989 22.746 21.842 1.00 7.08 ? CG TRP A 43 1 -ATOM 324 C CD1 . TRP A 1 43 . 19.989 22.613 20.492 1.00 8.75 ? CD1 TRP A 43 1 -ATOM 325 C CD2 . TRP A 1 43 . 21.244 23.292 22.191 1.00 7.08 ? CD2 TRP A 43 1 -ATOM 326 N NE1 . TRP A 1 43 . 21.189 23.036 19.961 1.00 5.66 ? NE1 TRP A 43 1 -ATOM 327 C CE2 . TRP A 1 43 . 21.986 23.454 20.988 1.00 7.08 ? CE2 TRP A 43 1 -ATOM 328 C CE3 . TRP A 1 43 . 21.832 23.656 23.393 1.00 7.63 ? CE3 TRP A 43 1 -ATOM 329 C CZ2 . TRP A 1 43 . 23.285 23.970 20.963 1.00 7 ? CZ2 TRP A 43 1 -ATOM 330 C CZ3 . TRP A 1 43 . 23.098 24.165 23.376 1.00 7.78 ? CZ3 TRP A 43 1 -ATOM 331 C CH2 . TRP A 1 43 . 23.826 24.318 22.161 1.00 7.62 ? CH2 TRP A 43 1 -ATOM 332 N N . THR A 1 44 . 18.341 20.860 25.397 1.00 6.73 ? N THR A 44 1 -ATOM 333 C CA . THR A 1 44 . 17.568 20.872 26.600 1.00 7.41 ? CA THR A 44 1 -ATOM 334 C C . THR A 1 44 . 18.370 21.803 27.458 1.00 7.32 ? C THR A 44 1 -ATOM 335 O O . THR A 1 44 . 19.564 22.051 27.162 1.00 8.3 ? O THR A 44 1 -ATOM 336 C CB . THR A 1 44 . 17.477 19.475 27.325 1.00 6.34 ? CB THR A 44 1 -ATOM 337 O OG1 . THR A 1 44 . 18.768 19.116 27.844 1.00 8.74 ? OG1 THR A 44 1 -ATOM 338 C CG2 . THR A 1 44 . 16.965 18.331 26.382 1.00 4.42 ? CG2 THR A 44 1 -ATOM 339 N N . TYR A 1 45 . 17.707 22.422 28.434 1.00 6.33 ? N TYR A 45 1 -ATOM 340 C CA . TYR A 1 45 . 18.383 23.292 29.382 1.00 6.58 ? CA TYR A 45 1 -ATOM 341 C C . TYR A 1 45 . 17.795 22.951 30.738 1.00 6.24 ? C TYR A 45 1 -ATOM 342 O O . TYR A 1 45 . 16.594 22.894 30.859 1.00 8.16 ? O TYR A 45 1 -ATOM 343 C CB . TYR A 1 45 . 18.153 24.791 29.123 1.00 6.32 ? CB TYR A 45 1 -ATOM 344 C CG . TYR A 1 45 . 18.630 25.646 30.300 1.00 7.32 ? CG TYR A 45 1 -ATOM 345 C CD1 . TYR A 1 45 . 19.993 25.696 30.649 1.00 6 ? CD1 TYR A 45 1 -ATOM 346 C CD2 . TYR A 1 45 . 17.716 26.386 31.095 1.00 7.75 ? CD2 TYR A 45 1 -ATOM 347 C CE1 . TYR A 1 45 . 20.434 26.427 31.704 1.00 6.17 ? CE1 TYR A 45 1 -ATOM 348 C CE2 . TYR A 1 45 . 18.165 27.134 32.159 1.00 8.06 ? CE2 TYR A 45 1 -ATOM 349 C CZ . TYR A 1 45 . 19.531 27.144 32.461 1.00 6.37 ? CZ TYR A 45 1 -ATOM 350 O OH . TYR A 1 45 . 20.003 27.846 33.547 1.00 7.74 ? OH TYR A 45 1 -ATOM 351 N N . ASP A 1 46 . 18.637 22.717 31.736 1.00 6.35 ? N ASP A 46 1 -ATOM 352 C CA . ASP A 1 46 . 18.189 22.395 33.084 1.00 6.11 ? CA ASP A 46 1 -ATOM 353 C C . ASP A 1 46 . 18.762 23.422 34.046 1.00 7.28 ? C ASP A 46 1 -ATOM 354 O O . ASP A 1 46 . 19.956 23.402 34.423 1.00 4.29 ? O ASP A 46 1 -ATOM 355 C CB . ASP A 1 46 . 18.608 20.963 33.468 1.00 7.79 ? CB ASP A 46 1 -ATOM 356 C CG . ASP A 1 46 . 18.147 20.542 34.888 1.00 7.44 ? CG ASP A 46 1 -ATOM 357 O OD1 . ASP A 1 46 . 17.386 21.232 35.591 1.00 5 ? OD1 ASP A 46 1 -ATOM 358 O OD2 . ASP A 1 46 . 18.551 19.448 35.270 1.00 9.02 ? OD2 ASP A 46 1 -ATOM 359 N N . ASP A 1 47 . 17.863 24.323 34.417 1.00 6.68 ? N ASP A 47 1 -ATOM 360 C CA . ASP A 1 47 . 18.172 25.408 35.266 1.00 8.65 ? CA ASP A 47 1 -ATOM 361 C C . ASP A 1 47 . 18.635 24.975 36.607 1.00 10.53 ? C ASP A 47 1 -ATOM 362 O O . ASP A 1 47 . 19.331 25.709 37.256 1.00 10.1 ? O ASP A 47 1 -ATOM 363 C CB . ASP A 1 47 . 16.952 26.264 35.444 1.00 9.98 ? CB ASP A 47 1 -ATOM 364 C CG . ASP A 1 47 . 17.294 27.588 36.038 1.00 13.07 ? CG ASP A 47 1 -ATOM 365 O OD1 . ASP A 1 47 . 18.182 28.307 35.517 1.00 11.85 ? OD1 ASP A 47 1 -ATOM 366 O OD2 . ASP A 1 47 . 16.710 27.874 37.084 1.00 14.99 ? OD2 ASP A 47 1 -ATOM 367 N N . ALA A 1 48 . 18.101 23.853 37.083 1.00 10.72 ? N ALA A 48 1 -ATOM 368 C CA . ALA A 1 48 . 18.486 23.283 38.379 1.00 9.53 ? CA ALA A 48 1 -ATOM 369 C C . ALA A 1 48 . 19.959 22.961 38.447 1.00 8.82 ? C ALA A 48 1 -ATOM 370 O O . ALA A 1 48 . 20.523 22.904 39.507 1.00 10.62 ? O ALA A 48 1 -ATOM 371 C CB . ALA A 1 48 . 17.677 22.025 38.647 1.00 11.11 ? CB ALA A 48 1 -ATOM 372 N N . THR A 1 49 . 20.603 22.757 37.316 1.00 9.51 ? N THR A 49 1 -ATOM 373 C CA . THR A 1 49 . 22.029 22.470 37.333 1.00 8.4 ? CA THR A 49 1 -ATOM 374 C C . THR A 1 49 . 22.748 23.435 36.395 1.00 7.98 ? C THR A 49 1 -ATOM 375 O O . THR A 1 49 . 23.941 23.324 36.212 1.00 9.23 ? O THR A 49 1 -ATOM 376 C CB . THR A 1 49 . 22.345 20.975 36.913 1.00 8.34 ? CB THR A 49 1 -ATOM 377 O OG1 . THR A 1 49 . 22.050 20.810 35.525 1.00 6.78 ? OG1 THR A 49 1 -ATOM 378 C CG2 . THR A 1 49 . 21.457 19.962 37.702 1.00 6.32 ? CG2 THR A 49 1 -ATOM 379 N N . LYS A 1 50 . 22.009 24.371 35.800 1.00 7.05 ? N LYS A 50 1 -ATOM 380 C CA . LYS A 1 50 . 22.552 25.343 34.873 1.00 8.49 ? CA LYS A 50 1 -ATOM 381 C C . LYS A 1 50 . 23.219 24.646 33.689 1.00 8.72 ? C LYS A 50 1 -ATOM 382 O O . LYS A 1 50 . 24.189 25.166 33.141 1.00 8.51 ? O LYS A 50 1 -ATOM 383 C CB . LYS A 1 50 . 23.573 26.291 35.570 1.00 11.17 ? CB LYS A 50 1 -ATOM 384 C CG . LYS A 1 50 . 23.028 27.095 36.711 1.00 10.11 ? CG LYS A 50 1 -ATOM 385 C CD . LYS A 1 50 . 21.867 27.977 36.252 1.00 13.37 ? CD LYS A 50 1 -ATOM 386 C CE . LYS A 1 50 . 21.143 28.680 37.483 1.00 12.12 ? CE LYS A 50 1 -ATOM 387 N NZ . LYS A 1 50 . 20.184 29.770 37.143 1.00 15.16 ? NZ LYS A 50 1 -ATOM 388 N N . THR A 1 51 . 22.654 23.514 33.255 1.00 7.92 ? N THR A 51 1 -ATOM 389 C CA . THR A 1 51 . 23.221 22.742 32.156 1.00 7.95 ? CA THR A 51 1 -ATOM 390 C C . THR A 1 51 . 22.435 22.672 30.858 1.00 5.18 ? C THR A 51 1 -ATOM 391 O O . THR A 1 51 . 21.235 22.535 30.854 1.00 3.35 ? O THR A 51 1 -ATOM 392 C CB . THR A 1 51 . 23.549 21.266 32.600 1.00 8.94 ? CB THR A 51 1 -ATOM 393 O OG1 . THR A 1 51 . 24.412 21.311 33.730 1.00 10.06 ? OG1 THR A 51 1 -ATOM 394 C CG2 . THR A 1 51 . 24.324 20.498 31.477 1.00 11.18 ? CG2 THR A 51 1 -ATOM 395 N N . PHE A 1 52 . 23.152 22.808 29.756 1.00 3.88 ? N PHE A 52 1 -ATOM 396 C CA . PHE A 1 52 . 22.568 22.724 28.431 1.00 5.35 ? CA PHE A 52 1 -ATOM 397 C C . PHE A 1 52 . 23.139 21.448 27.853 1.00 5.94 ? C PHE A 52 1 -ATOM 398 O O . PHE A 1 52 . 24.298 21.110 28.112 1.00 7.6 ? O PHE A 52 1 -ATOM 399 C CB . PHE A 1 52 . 23.077 23.828 27.506 1.00 4.56 ? CB PHE A 52 1 -ATOM 400 C CG . PHE A 1 52 . 22.484 25.155 27.766 1.00 5.8 ? CG PHE A 52 1 -ATOM 401 C CD1 . PHE A 1 52 . 22.962 25.955 28.824 1.00 6.35 ? CD1 PHE A 52 1 -ATOM 402 C CD2 . PHE A 1 52 . 21.488 25.630 26.943 1.00 6.87 ? CD2 PHE A 52 1 -ATOM 403 C CE1 . PHE A 1 52 . 22.460 27.242 29.066 1.00 6.65 ? CE1 PHE A 52 1 -ATOM 404 C CE2 . PHE A 1 52 . 20.946 26.900 27.152 1.00 7.62 ? CE2 PHE A 52 1 -ATOM 405 C CZ . PHE A 1 52 . 21.438 27.729 28.226 1.00 7.28 ? CZ PHE A 52 1 -ATOM 406 N N . THR A 1 53 . 22.359 20.748 27.052 1.00 5.79 ? N THR A 53 1 -ATOM 407 C CA . THR A 1 53 . 22.885 19.561 26.411 1.00 5.92 ? CA THR A 53 1 -ATOM 408 C C . THR A 1 53 . 22.419 19.621 24.955 1.00 5.65 ? C THR A 53 1 -ATOM 409 O O . THR A 1 53 . 21.309 20.087 24.688 1.00 6.81 ? O THR A 53 1 -ATOM 410 C CB . THR A 1 53 . 22.400 18.226 27.067 1.00 5.16 ? CB THR A 53 1 -ATOM 411 O OG1 . THR A 1 53 . 21.054 17.997 26.672 1.00 9.4 ? OG1 THR A 53 1 -ATOM 412 C CG2 . THR A 1 53 . 22.407 18.291 28.569 1.00 5.06 ? CG2 THR A 53 1 -ATOM 413 N N . VAL A 1 54 . 23.285 19.248 24.008 1.00 5.98 ? N VAL A 54 1 -ATOM 414 C CA . VAL A 1 54 . 22.856 19.172 22.598 1.00 5.44 ? CA VAL A 54 1 -ATOM 415 C C . VAL A 1 54 . 23.112 17.708 22.184 1.00 4.77 ? C VAL A 54 1 -ATOM 416 O O . VAL A 1 54 . 24.161 17.151 22.491 1.00 3.99 ? O VAL A 54 1 -ATOM 417 C CB . VAL A 1 54 . 23.576 20.167 21.671 1.00 3.09 ? CB VAL A 54 1 -ATOM 418 C CG1 . VAL A 1 54 . 25.091 20.092 21.843 1.00 3.65 ? CG1 VAL A 54 1 -ATOM 419 C CG2 . VAL A 1 54 . 23.136 19.922 20.206 1.00 5.1 ? CG2 VAL A 54 1 -ATOM 420 N N . THR A 1 55 . 22.210 17.134 21.421 1.00 5.48 ? N THR A 55 1 -ATOM 421 C CA . THR A 1 55 . 22.364 15.731 21.085 1.00 6.69 ? CA THR A 55 1 -ATOM 422 C C . THR A 1 55 . 22.039 15.472 19.632 1.00 8.52 ? C THR A 55 1 -ATOM 423 O O . THR A 1 55 . 20.995 15.860 19.189 1.00 12.3 ? O THR A 55 1 -ATOM 424 C CB . THR A 1 55 . 21.406 14.955 21.979 1.00 5.3 ? CB THR A 55 1 -ATOM 425 O OG1 . THR A 1 55 . 21.786 15.194 23.326 1.00 4.67 ? OG1 THR A 55 1 -ATOM 426 C CG2 . THR A 1 55 . 21.441 13.470 21.755 1.00 6 ? CG2 THR A 55 1 -ATOM 427 N N . GLU A 1 56 . 22.905 14.843 18.864 1.00 8.91 ? N GLU A 56 1 -ATOM 428 C CA . GLU A 1 56 . 22.553 14.567 17.468 1.00 13.22 ? CA GLU A 56 1 -ATOM 429 C C . GLU A 1 56 . 22.022 13.143 17.330 1.00 13.01 ? C GLU A 56 1 -ATOM 430 O O . GLU A 1 56 . 22.353 12.301 18.190 1.00 14.55 ? O GLU A 56 1 -ATOM 431 C CB . GLU A 1 56 . 23.736 14.723 16.538 1.00 13.01 ? CB GLU A 56 1 -ATOM 432 C CG . GLU A 1 56 . 24.277 16.065 16.470 1.00 14.87 ? CG GLU A 56 1 -ATOM 433 C CD . GLU A 1 56 . 25.430 16.161 15.494 1.00 15.68 ? CD GLU A 56 1 -ATOM 434 O OE1 . GLU A 1 56 . 26.403 15.371 15.576 1.00 17.54 ? OE1 GLU A 56 1 -ATOM 435 O OE2 . GLU A 1 56 . 25.381 17.081 14.664 1.00 18.6 ? OE2 GLU A 56 1 -ATOM 436 O OXT . GLU A 1 56 . 21.296 12.892 16.369 1.00 15.04 ? OXT GLU A 56 1 -HETATM 437 O O . HOH B 2 . . 20.045 17.338 24.112 1.00 3.04 ? O HOH A 57 1 -HETATM 438 O O . HOH B 2 . . 29.284 15.933 16.005 1.00 3.9 ? O HOH A 58 1 -HETATM 439 O O . HOH B 2 . . 30.968 17.869 15.018 0.94 11.86 ? O HOH A 59 1 -HETATM 440 O O . HOH B 2 . . 36.384 21.652 27.812 0.96 15.46 ? O HOH A 60 1 -HETATM 441 O O . HOH B 2 . . 17.058 34.117 30.636 0.91 16.69 ? O HOH A 61 1 -HETATM 442 O O . HOH B 2 . . 27.844 16.414 13.404 1.00 23.36 ? O HOH A 62 1 -HETATM 443 O O . HOH B 2 . . 18.404 38.643 27.967 1.00 23.63 ? O HOH A 63 1 -HETATM 444 O O . HOH B 2 . . 19.968 31.460 34.797 1.00 23.75 ? O HOH A 64 1 -HETATM 445 O O . HOH B 2 . . 18.201 18.566 37.695 0.95 22.19 ? O HOH A 65 1 -HETATM 446 O O . HOH B 2 . . 28.632 36.880 26.524 1.00 24.51 ? O HOH A 66 1 -HETATM 447 O O . HOH B 2 . . 24.320 18.322 34.892 0.95 23.33 ? O HOH A 67 1 -HETATM 448 O O . HOH B 2 . . 34.515 20.297 15.278 0.95 24.44 ? O HOH A 68 1 -HETATM 449 O O . HOH B 2 . . 25.264 17.638 11.962 1.00 26.96 ? O HOH A 69 1 -HETATM 450 O O . HOH B 2 . . 27.030 30.620 14.393 1.00 30.28 ? O HOH A 70 1 -HETATM 451 O O . HOH B 2 . . 34.649 12.834 25.632 0.98 31.24 ? O HOH A 71 1 -HETATM 452 O O . HOH B 2 . . 18.195 33.437 33.740 0.88 30.66 ? O HOH A 72 1 -HETATM 453 O O . HOH B 2 . . 15.996 28.545 27.866 1.00 38.23 ? O HOH A 73 1 -HETATM 454 O O . HOH B 2 . . 22.964 13.047 25.143 0.94 34.64 ? O HOH A 74 1 -HETATM 455 O O . HOH B 2 . . 36.309 21.652 20.246 1.00 43.01 ? O HOH A 75 1 -HETATM 456 O O . HOH B 2 . . 15.334 21.462 20.777 0.91 37.63 ? O HOH A 76 1 +ATOM 1 N N MET 1 . . A 1 26.778 34.213 35.880 1.00 14.61 ? N MET 1 A 1 +ATOM 2 C CA MET 1 . . A 1 26.659 32.769 36.242 1.00 16.66 ? CA MET 1 A 1 +ATOM 3 C C MET 1 . . A 1 27.468 31.927 35.268 1.00 16.16 ? C MET 1 A 1 +ATOM 4 O O MET 1 . . A 1 27.699 32.342 34.110 1.00 15.79 ? O MET 1 A 1 +ATOM 5 C CB MET 1 . . A 1 25.202 32.296 36.219 1.00 15.87 ? CB MET 1 A 1 +ATOM 6 C CG MET 1 . . A 1 24.345 32.901 37.319 1.00 18.67 ? CG MET 1 A 1 +ATOM 7 S SD MET 1 . . A 1 22.647 32.419 37.205 1.00 18.22 ? SD MET 1 A 1 +ATOM 8 C CE MET 1 . . A 1 22.101 32.510 39.040 1.00 18.66 ? CE MET 1 A 1 +ATOM 9 N N THR 2 . . A 1 27.942 30.785 35.765 1.00 12.62 ? N THR 2 A 1 +ATOM 10 C CA THR 2 . . A 1 28.716 29.848 34.951 1.00 13.11 ? CA THR 2 A 1 +ATOM 11 C C THR 2 . . A 1 27.810 28.681 34.500 1.00 12.17 ? C THR 2 A 1 +ATOM 12 O O THR 2 . . A 1 27.190 28.014 35.349 1.00 11.81 ? O THR 2 A 1 +ATOM 13 C CB THR 2 . . A 1 29.874 29.309 35.740 1.00 11.99 ? CB THR 2 A 1 +ATOM 14 O OG1 THR 2 . . A 1 30.690 30.402 36.160 1.00 14.02 ? OG1 THR 2 A 1 +ATOM 15 C CG2 THR 2 . . A 1 30.703 28.380 34.901 1.00 12.76 ? CG2 THR 2 A 1 +ATOM 16 N N TYR 3 . . A 1 27.727 28.474 33.178 1.00 10.5 ? N TYR 3 A 1 +ATOM 17 C CA TYR 3 . . A 1 26.925 27.439 32.581 1.00 8.87 ? CA TYR 3 A 1 +ATOM 18 C C TYR 3 . . A 1 27.786 26.384 31.926 1.00 10.84 ? C TYR 3 A 1 +ATOM 19 O O TYR 3 . . A 1 28.925 26.623 31.562 1.00 9 ? O TYR 3 A 1 +ATOM 20 C CB TYR 3 . . A 1 25.980 28.003 31.552 1.00 9.75 ? CB TYR 3 A 1 +ATOM 21 C CG TYR 3 . . A 1 25.043 29.056 32.084 1.00 9.86 ? CG TYR 3 A 1 +ATOM 22 C CD1 TYR 3 . . A 1 25.494 30.368 32.275 1.00 9.28 ? CD1 TYR 3 A 1 +ATOM 23 C CD2 TYR 3 . . A 1 23.704 28.754 32.362 1.00 8.58 ? CD2 TYR 3 A 1 +ATOM 24 C CE1 TYR 3 . . A 1 24.649 31.353 32.728 1.00 10.76 ? CE1 TYR 3 A 1 +ATOM 25 C CE2 TYR 3 . . A 1 22.841 29.745 32.816 1.00 12.25 ? CE2 TYR 3 A 1 +ATOM 26 C CZ TYR 3 . . A 1 23.334 31.057 32.992 1.00 9.45 ? CZ TYR 3 A 1 +ATOM 27 O OH TYR 3 . . A 1 22.507 32.070 33.389 1.00 10.01 ? OH TYR 3 A 1 +ATOM 28 N N LYS 4 . . A 1 27.209 25.188 31.822 1.00 9.35 ? N LYS 4 A 1 +ATOM 29 C CA LYS 4 . . A 1 27.880 24.053 31.245 1.00 12.62 ? CA LYS 4 A 1 +ATOM 30 C C LYS 4 . . A 1 27.146 23.549 30.005 1.00 10.41 ? C LYS 4 A 1 +ATOM 31 O O LYS 4 . . A 1 25.927 23.642 29.883 1.00 8.07 ? O LYS 4 A 1 +ATOM 32 C CB LYS 4 . . A 1 27.980 22.919 32.276 1.00 16.64 ? CB LYS 4 A 1 +ATOM 33 C CG LYS 4 . . A 1 28.614 21.682 31.687 1.00 23.52 ? CG LYS 4 A 1 +ATOM 34 C CD LYS 4 . . A 1 29.133 20.761 32.750 1.00 26.11 ? CD LYS 4 A 1 +ATOM 35 C CE LYS 4 . . A 1 28.104 19.671 33.082 1.00 32.58 ? CE LYS 4 A 1 +ATOM 36 N NZ LYS 4 . . A 1 28.622 18.689 34.151 1.00 33.4 ? NZ LYS 4 A 1 +ATOM 37 N N LEU 5 . . A 1 27.906 23.017 29.076 1.00 8.27 ? N LEU 5 A 1 +ATOM 38 C CA LEU 5 . . A 1 27.287 22.492 27.893 1.00 5.95 ? CA LEU 5 A 1 +ATOM 39 C C LEU 5 . . A 1 27.787 21.089 27.755 1.00 6.29 ? C LEU 5 A 1 +ATOM 40 O O LEU 5 . . A 1 28.980 20.881 27.827 1.00 5.25 ? O LEU 5 A 1 +ATOM 41 C CB LEU 5 . . A 1 27.718 23.274 26.662 1.00 5.32 ? CB LEU 5 A 1 +ATOM 42 C CG LEU 5 . . A 1 27.273 22.663 25.316 1.00 3.5 ? CG LEU 5 A 1 +ATOM 43 C CD1 LEU 5 . . A 1 25.786 22.592 25.165 1.00 2.85 ? CD1 LEU 5 A 1 +ATOM 44 C CD2 LEU 5 . . A 1 27.883 23.370 24.177 1.00 2.99 ? CD2 LEU 5 A 1 +ATOM 45 N N ILE 6 . . A 1 26.872 20.127 27.677 1.00 4.84 ? N ILE 6 A 1 +ATOM 46 C CA ILE 6 . . A 1 27.234 18.718 27.430 1.00 6.82 ? CA ILE 6 A 1 +ATOM 47 C C ILE 6 . . A 1 26.857 18.445 25.938 1.00 6.98 ? C ILE 6 A 1 +ATOM 48 O O ILE 6 . . A 1 25.684 18.610 25.488 1.00 5.7 ? O ILE 6 A 1 +ATOM 49 C CB ILE 6 . . A 1 26.539 17.774 28.431 1.00 7.7 ? CB ILE 6 A 1 +ATOM 50 C CG1 ILE 6 . . A 1 26.929 18.189 29.827 1.00 8.62 ? CG1 ILE 6 A 1 +ATOM 51 C CG2 ILE 6 . . A 1 26.965 16.283 28.223 1.00 8.79 ? CG2 ILE 6 A 1 +ATOM 52 C CD1 ILE 6 . . A 1 26.270 17.302 30.804 1.00 10.87 ? CD1 ILE 6 A 1 +ATOM 53 N N LEU 7 . . A 1 27.883 18.141 25.160 1.00 6.28 ? N LEU 7 A 1 +ATOM 54 C CA LEU 7 . . A 1 27.753 17.891 23.727 1.00 6.59 ? CA LEU 7 A 1 +ATOM 55 C C LEU 7 . . A 1 27.760 16.412 23.441 1.00 6.58 ? C LEU 7 A 1 +ATOM 56 O O LEU 7 . . A 1 28.779 15.768 23.693 1.00 6.52 ? O LEU 7 A 1 +ATOM 57 C CB LEU 7 . . A 1 28.948 18.512 22.941 1.00 6.2 ? CB LEU 7 A 1 +ATOM 58 C CG LEU 7 . . A 1 29.329 19.998 23.037 1.00 7.38 ? CG LEU 7 A 1 +ATOM 59 C CD1 LEU 7 . . A 1 30.665 20.164 23.746 1.00 5.51 ? CD1 LEU 7 A 1 +ATOM 60 C CD2 LEU 7 . . A 1 29.401 20.599 21.670 1.00 5.66 ? CD2 LEU 7 A 1 +ATOM 61 N N ASN 8 . . A 1 26.656 15.886 22.895 1.00 7.07 ? N ASN 8 A 1 +ATOM 62 C CA ASN 8 . . A 1 26.607 14.472 22.512 1.00 8.36 ? CA ASN 8 A 1 +ATOM 63 C C ASN 8 . . A 1 26.394 14.448 21.001 1.00 6.87 ? C ASN 8 A 1 +ATOM 64 O O ASN 8 . . A 1 25.320 14.170 20.496 1.00 4.58 ? O ASN 8 A 1 +ATOM 65 C CB ASN 8 . . A 1 25.509 13.703 23.253 1.00 11.84 ? CB ASN 8 A 1 +ATOM 66 C CG ASN 8 . . A 1 25.427 12.198 22.812 1.00 17.44 ? CG ASN 8 A 1 +ATOM 67 O OD1 ASN 8 . . A 1 26.442 11.493 22.723 1.00 17.86 ? OD1 ASN 8 A 1 +ATOM 68 N ND2 ASN 8 . . A 1 24.216 11.740 22.470 1.00 19.85 ? ND2 ASN 8 A 1 +ATOM 69 N N GLY 9 . . A 1 27.390 14.850 20.248 1.00 6.96 ? N GLY 9 A 1 +ATOM 70 C CA GLY 9 . . A 1 27.190 14.807 18.805 1.00 6.92 ? CA GLY 9 A 1 +ATOM 71 C C GLY 9 . . A 1 27.687 13.461 18.292 1.00 8.02 ? C GLY 9 A 1 +ATOM 72 O O GLY 9 . . A 1 28.202 12.631 19.096 1.00 7.55 ? O GLY 9 A 1 +ATOM 73 N N LYS 10 . . A 1 27.644 13.275 16.967 1.00 7.38 ? N LYS 10 A 1 +ATOM 74 C CA LYS 10 . . A 1 28.097 12.053 16.383 1.00 7.81 ? CA LYS 10 A 1 +ATOM 75 C C LYS 10 . . A 1 29.608 12.016 16.332 1.00 8 ? C LYS 10 A 1 +ATOM 76 O O LYS 10 . . A 1 30.227 10.985 16.633 1.00 5.03 ? O LYS 10 A 1 +ATOM 77 C CB LYS 10 . . A 1 27.505 11.913 15.016 1.00 11.98 ? CB LYS 10 A 1 +ATOM 78 C CG LYS 10 . . A 1 26.053 11.530 15.078 1.00 16.38 ? CG LYS 10 A 1 +ATOM 79 C CD LYS 10 . . A 1 25.221 12.127 13.918 1.00 24.2 ? CD LYS 10 A 1 +ATOM 80 C CE LYS 10 . . A 1 25.741 11.707 12.492 1.00 27.12 ? CE LYS 10 A 1 +ATOM 81 N NZ LYS 10 . . A 1 24.966 12.355 11.327 1.00 27.49 ? NZ LYS 10 A 1 +ATOM 82 N N THR 11 . . A 1 30.199 13.192 16.095 1.00 7.5 ? N THR 11 A 1 +ATOM 83 C CA THR 11 . . A 1 31.651 13.369 15.973 1.00 8.2 ? CA THR 11 A 1 +ATOM 84 C C THR 11 . . A 1 32.334 13.991 17.218 1.00 7.89 ? C THR 11 A 1 +ATOM 85 O O THR 11 . . A 1 33.420 13.607 17.586 1.00 7.61 ? O THR 11 A 1 +ATOM 86 C CB THR 11 . . A 1 31.956 14.339 14.801 1.00 9.35 ? CB THR 11 A 1 +ATOM 87 O OG1 THR 11 . . A 1 31.318 13.897 13.603 1.00 10.85 ? OG1 THR 11 A 1 +ATOM 88 C CG2 THR 11 . . A 1 33.421 14.517 14.602 1.00 12.32 ? CG2 THR 11 A 1 +ATOM 89 N N LEU 12 . . A 1 31.689 14.980 17.820 1.00 8.58 ? N LEU 12 A 1 +ATOM 90 C CA LEU 12 . . A 1 32.240 15.708 18.937 1.00 7.27 ? CA LEU 12 A 1 +ATOM 91 C C LEU 12 . . A 1 31.473 15.439 20.241 1.00 7.67 ? C LEU 12 A 1 +ATOM 92 O O LEU 12 . . A 1 30.249 15.645 20.358 1.00 7.27 ? O LEU 12 A 1 +ATOM 93 C CB LEU 12 . . A 1 32.162 17.199 18.564 1.00 8.71 ? CB LEU 12 A 1 +ATOM 94 C CG LEU 12 . . A 1 33.156 18.300 18.949 1.00 10.48 ? CG LEU 12 A 1 +ATOM 95 C CD1 LEU 12 . . A 1 32.341 19.601 19.228 1.00 9.21 ? CD1 LEU 12 A 1 +ATOM 96 C CD2 LEU 12 . . A 1 34.036 17.907 20.136 1.00 8.42 ? CD2 LEU 12 A 1 +ATOM 97 N N LYS 13 . . A 1 32.202 15.087 21.265 1.00 5.43 ? N LYS 13 A 1 +ATOM 98 C CA LYS 13 . . A 1 31.559 14.806 22.513 1.00 7.07 ? CA LYS 13 A 1 +ATOM 99 C C LYS 13 . . A 1 32.382 15.429 23.592 1.00 7.64 ? C LYS 13 A 1 +ATOM 100 O O LYS 13 . . A 1 33.586 15.394 23.538 1.00 6.64 ? O LYS 13 A 1 +ATOM 101 C CB LYS 13 . . A 1 31.508 13.303 22.723 1.00 8.04 ? CB LYS 13 A 1 +ATOM 102 C CG LYS 13 . . A 1 30.511 12.591 21.829 1.00 9.13 ? CG LYS 13 A 1 +ATOM 103 C CD LYS 13 . . A 1 30.582 11.080 22.038 1.00 9.99 ? CD LYS 13 A 1 +ATOM 104 C CE LYS 13 . . A 1 29.510 10.370 21.214 1.00 9.64 ? CE LYS 13 A 1 +ATOM 105 N NZ LYS 13 . . A 1 29.903 10.422 19.840 1.00 9.79 ? NZ LYS 13 A 1 +ATOM 106 N N GLY 14 . . A 1 31.742 16.049 24.564 1.00 8.08 ? N GLY 14 A 1 +ATOM 107 C CA GLY 14 . . A 1 32.551 16.607 25.608 1.00 10.91 ? CA GLY 14 A 1 +ATOM 108 C C GLY 14 . . A 1 31.784 17.507 26.519 1.00 13.82 ? C GLY 14 A 1 +ATOM 109 O O GLY 14 . . A 1 30.540 17.459 26.526 1.00 12.43 ? O GLY 14 A 1 +ATOM 110 N N GLU 15 . . A 1 32.511 18.353 27.246 1.00 12.18 ? N GLU 15 A 1 +ATOM 111 C CA GLU 15 . . A 1 31.885 19.251 28.169 1.00 13.37 ? CA GLU 15 A 1 +ATOM 112 C C GLU 15 . . A 1 32.675 20.541 28.212 1.00 13.44 ? C GLU 15 A 1 +ATOM 113 O O GLU 15 . . A 1 33.918 20.512 28.139 1.00 11.68 ? O GLU 15 A 1 +ATOM 114 C CB GLU 15 . . A 1 31.955 18.585 29.514 1.00 16.38 ? CB GLU 15 A 1 +ATOM 115 C CG GLU 15 . . A 1 31.160 19.175 30.617 1.00 20.75 ? CG GLU 15 A 1 +ATOM 116 C CD GLU 15 . . A 1 30.988 18.128 31.732 1.00 22.61 ? CD GLU 15 A 1 +ATOM 117 O OE1 GLU 15 . . A 1 30.231 17.132 31.558 1.00 24.56 ? OE1 GLU 15 A 1 +ATOM 118 O OE2 GLU 15 . . A 1 31.675 18.255 32.749 1.00 22.88 ? OE2 GLU 15 A 1 +ATOM 119 N N THR 16 . . A 1 31.962 21.662 28.166 1.00 10.94 ? N THR 16 A 1 +ATOM 120 C CA THR 16 . . A 1 32.590 22.952 28.314 1.00 12.35 ? CA THR 16 A 1 +ATOM 121 C C THR 16 . . A 1 31.657 23.748 29.154 1.00 11.69 ? C THR 16 A 1 +ATOM 122 O O THR 16 . . A 1 30.560 23.313 29.424 1.00 9.43 ? O THR 16 A 1 +ATOM 123 C CB THR 16 . . A 1 32.843 23.745 27.020 1.00 13.36 ? CB THR 16 A 1 +ATOM 124 O OG1 THR 16 . . A 1 31.691 23.719 26.139 1.00 16.26 ? OG1 THR 16 A 1 +ATOM 125 C CG2 THR 16 . . A 1 34.010 23.231 26.342 1.00 20.68 ? CG2 THR 16 A 1 +ATOM 126 N N THR 17 . . A 1 32.102 24.933 29.549 1.00 12.87 ? N THR 17 A 1 +ATOM 127 C CA THR 17 . . A 1 31.337 25.872 30.369 1.00 13.13 ? CA THR 17 A 1 +ATOM 128 C C THR 17 . . A 1 31.442 27.293 29.794 1.00 15.23 ? C THR 17 A 1 +ATOM 129 O O THR 17 . . A 1 32.280 27.575 28.937 1.00 12.64 ? O THR 17 A 1 +ATOM 130 C CB THR 17 . . A 1 31.906 25.957 31.777 1.00 13.66 ? CB THR 17 A 1 +ATOM 131 O OG1 THR 17 . . A 1 33.175 26.606 31.730 1.00 12.04 ? OG1 THR 17 A 1 +ATOM 132 C CG2 THR 17 . . A 1 32.089 24.590 32.337 1.00 12.62 ? CG2 THR 17 A 1 +ATOM 133 N N THR 18 . . A 1 30.560 28.182 30.238 1.00 13.46 ? N THR 18 A 1 +ATOM 134 C CA THR 18 . . A 1 30.648 29.569 29.782 1.00 16.1 ? CA THR 18 A 1 +ATOM 135 C C THR 18 . . A 1 30.183 30.439 30.924 1.00 15.95 ? C THR 18 A 1 +ATOM 136 O O THR 18 . . A 1 29.659 29.918 31.883 1.00 16 ? O THR 18 A 1 +ATOM 137 C CB THR 18 . . A 1 29.809 29.875 28.486 1.00 15.44 ? CB THR 18 A 1 +ATOM 138 O OG1 THR 18 . . A 1 30.308 31.072 27.882 1.00 14.31 ? OG1 THR 18 A 1 +ATOM 139 C CG2 THR 18 . . A 1 28.342 30.070 28.789 1.00 15.16 ? CG2 THR 18 A 1 +ATOM 140 N N GLU 19 . . A 1 30.512 31.719 30.863 1.00 14.78 ? N GLU 19 A 1 +ATOM 141 C CA GLU 19 . . A 1 30.112 32.696 31.870 1.00 18.12 ? CA GLU 19 A 1 +ATOM 142 C C GLU 19 . . A 1 29.090 33.566 31.129 1.00 14.65 ? C GLU 19 A 1 +ATOM 143 O O GLU 19 . . A 1 29.308 33.925 29.998 1.00 16.84 ? O GLU 19 A 1 +ATOM 144 C CB GLU 19 . . A 1 31.332 33.552 32.303 1.00 22.39 ? CB GLU 19 A 1 +ATOM 145 C CG GLU 19 . . A 1 31.413 33.990 33.814 1.00 28.69 ? CG GLU 19 A 1 +ATOM 146 C CD GLU 19 . . A 1 30.348 35.085 34.267 1.00 35.12 ? CD GLU 19 A 1 +ATOM 147 O OE1 GLU 19 . . A 1 29.864 35.904 33.419 1.00 35.81 ? OE1 GLU 19 A 1 +ATOM 148 O OE2 GLU 19 . . A 1 30.010 35.143 35.495 1.00 33.84 ? OE2 GLU 19 A 1 +ATOM 149 N N ALA 20 . . A 1 27.930 33.807 31.698 1.00 11.79 ? N ALA 20 A 1 +ATOM 150 C CA ALA 20 . . A 1 26.954 34.653 31.011 1.00 11.11 ? CA ALA 20 A 1 +ATOM 151 C C ALA 20 . . A 1 25.998 35.271 32.023 1.00 11.25 ? C ALA 20 A 1 +ATOM 152 O O ALA 20 . . A 1 25.861 34.745 33.095 1.00 10.25 ? O ALA 20 A 1 +ATOM 153 C CB ALA 20 . . A 1 26.175 33.859 29.917 1.00 10.3 ? CB ALA 20 A 1 +ATOM 154 N N VAL 21 . . A 1 25.406 36.414 31.687 1.00 11.64 ? N VAL 21 A 1 +ATOM 155 C CA VAL 21 . . A 1 24.428 37.125 32.548 1.00 13.5 ? CA VAL 21 A 1 +ATOM 156 C C VAL 21 . . A 1 23.176 36.342 32.872 1.00 13.35 ? C VAL 21 A 1 +ATOM 157 O O VAL 21 . . A 1 22.648 36.441 33.968 1.00 13.8 ? O VAL 21 A 1 +ATOM 158 C CB VAL 21 . . A 1 23.894 38.488 31.924 1.00 15 ? CB VAL 21 A 1 +ATOM 159 C CG1 VAL 21 . . A 1 24.715 39.622 32.402 1.00 13.17 ? CG1 VAL 21 A 1 +ATOM 160 C CG2 VAL 21 . . A 1 23.842 38.429 30.361 1.00 13.88 ? CG2 VAL 21 A 1 +ATOM 161 N N ASP 22 . . A 1 22.687 35.605 31.888 1.00 12.32 ? N ASP 22 A 1 +ATOM 162 C CA ASP 22 . . A 1 21.526 34.808 32.082 1.00 10.39 ? CA ASP 22 A 1 +ATOM 163 C C ASP 22 . . A 1 21.599 33.656 31.128 1.00 10.5 ? C ASP 22 A 1 +ATOM 164 O O ASP 22 . . A 1 22.473 33.619 30.238 1.00 9.88 ? O ASP 22 A 1 +ATOM 165 C CB ASP 22 . . A 1 20.243 35.635 31.899 1.00 11.05 ? CB ASP 22 A 1 +ATOM 166 C CG ASP 22 . . A 1 20.069 36.160 30.520 1.00 12.87 ? CG ASP 22 A 1 +ATOM 167 O OD1 ASP 22 . . A 1 20.821 35.774 29.607 1.00 16.26 ? OD1 ASP 22 A 1 +ATOM 168 O OD2 ASP 22 . . A 1 19.146 36.972 30.319 1.00 16.47 ? OD2 ASP 22 A 1 +ATOM 169 N N ALA 23 . . A 1 20.639 32.740 31.269 1.00 8.81 ? N ALA 23 A 1 +ATOM 170 C CA ALA 23 . . A 1 20.561 31.551 30.430 1.00 6.96 ? CA ALA 23 A 1 +ATOM 171 C C ALA 23 . . A 1 20.321 31.844 28.931 1.00 5.92 ? C ALA 23 A 1 +ATOM 172 O O ALA 23 . . A 1 20.824 31.129 28.069 1.00 8.19 ? O ALA 23 A 1 +ATOM 173 C CB ALA 23 . . A 1 19.503 30.664 30.975 1.00 6.19 ? CB ALA 23 A 1 +ATOM 174 N N ALA 24 . . A 1 19.543 32.880 28.616 1.00 4.63 ? N ALA 24 A 1 +ATOM 175 C CA ALA 24 . . A 1 19.237 33.239 27.218 1.00 5.79 ? CA ALA 24 A 1 +ATOM 176 C C ALA 24 . . A 1 20.490 33.638 26.483 1.00 6.14 ? C ALA 24 A 1 +ATOM 177 O O ALA 24 . . A 1 20.643 33.370 25.310 1.00 8.27 ? O ALA 24 A 1 +ATOM 178 C CB ALA 24 . . A 1 18.162 34.389 27.146 1.00 5.79 ? CB ALA 24 A 1 +ATOM 179 N N THR 25 . . A 1 21.411 34.253 27.198 1.00 7.31 ? N THR 25 A 1 +ATOM 180 C CA THR 25 . . A 1 22.642 34.663 26.595 1.00 7.61 ? CA THR 25 A 1 +ATOM 181 C C THR 25 . . A 1 23.567 33.440 26.482 1.00 8.29 ? C THR 25 A 1 +ATOM 182 O O THR 25 . . A 1 24.190 33.275 25.431 1.00 7.36 ? O THR 25 A 1 +ATOM 183 C CB THR 25 . . A 1 23.295 35.861 27.358 1.00 9.87 ? CB THR 25 A 1 +ATOM 184 O OG1 THR 25 . . A 1 22.376 36.945 27.421 1.00 15.99 ? OG1 THR 25 A 1 +ATOM 185 C CG2 THR 25 . . A 1 24.436 36.418 26.612 1.00 7.83 ? CG2 THR 25 A 1 +ATOM 186 N N ALA 26 . . A 1 23.632 32.570 27.510 1.00 6.72 ? N ALA 26 A 1 +ATOM 187 C CA ALA 26 . . A 1 24.499 31.366 27.438 1.00 9.64 ? CA ALA 26 A 1 +ATOM 188 C C ALA 26 . . A 1 24.004 30.444 26.304 1.00 10.01 ? C ALA 26 A 1 +ATOM 189 O O ALA 26 . . A 1 24.795 29.892 25.550 1.00 10.49 ? O ALA 26 A 1 +ATOM 190 C CB ALA 26 . . A 1 24.554 30.606 28.803 1.00 6.87 ? CB ALA 26 A 1 +ATOM 191 N N GLU 27 . . A 1 22.691 30.378 26.130 1.00 11.53 ? N GLU 27 A 1 +ATOM 192 C CA GLU 27 . . A 1 22.101 29.590 25.062 1.00 13.51 ? CA GLU 27 A 1 +ATOM 193 C C GLU 27 . . A 1 22.566 30.053 23.656 1.00 13.78 ? C GLU 27 A 1 +ATOM 194 O O GLU 27 . . A 1 22.766 29.254 22.743 1.00 12.47 ? O GLU 27 A 1 +ATOM 195 C CB GLU 27 . . A 1 20.587 29.689 25.128 1.00 15.82 ? CB GLU 27 A 1 +ATOM 196 C CG GLU 27 . . A 1 19.983 28.615 24.307 1.00 21.36 ? CG GLU 27 A 1 +ATOM 197 C CD GLU 27 . . A 1 18.724 29.052 23.663 1.00 23.07 ? CD GLU 27 A 1 +ATOM 198 O OE1 GLU 27 . . A 1 17.994 29.851 24.306 1.00 25.94 ? OE1 GLU 27 A 1 +ATOM 199 O OE2 GLU 27 . . A 1 18.462 28.615 22.521 1.00 23.21 ? OE2 GLU 27 A 1 +ATOM 200 N N LYS 28 . . A 1 22.706 31.360 23.469 1.00 15.31 ? N LYS 28 A 1 +ATOM 201 C CA LYS 28 . . A 1 23.180 31.932 22.177 1.00 13.12 ? CA LYS 28 A 1 +ATOM 202 C C LYS 28 . . A 1 24.673 31.606 21.915 1.00 9.68 ? C LYS 28 A 1 +ATOM 203 O O LYS 28 . . A 1 25.086 31.328 20.783 1.00 8.78 ? O LYS 28 A 1 +ATOM 204 C CB LYS 28 . . A 1 23.016 33.469 22.176 1.00 14.23 ? CB LYS 28 A 1 +ATOM 205 C CG LYS 28 . . A 1 21.731 34.012 21.531 1.00 17.45 ? CG LYS 28 A 1 +ATOM 206 C CD LYS 28 . . A 1 20.541 34.029 22.467 1.00 18.36 ? CD LYS 28 A 1 +ATOM 207 C CE LYS 28 . . A 1 19.944 32.644 22.755 1.00 18.63 ? CE LYS 28 A 1 +ATOM 208 N NZ LYS 28 . . A 1 18.765 32.791 23.728 1.00 17.32 ? NZ LYS 28 A 1 +ATOM 209 N N VAL 29 . . A 1 25.471 31.760 22.968 1.00 8.13 ? N VAL 29 A 1 +ATOM 210 C CA VAL 29 . . A 1 26.885 31.515 22.924 1.00 7.52 ? CA VAL 29 A 1 +ATOM 211 C C VAL 29 . . A 1 27.147 30.039 22.603 1.00 6.4 ? C VAL 29 A 1 +ATOM 212 O O VAL 29 . . A 1 27.990 29.702 21.779 1.00 6.66 ? O VAL 29 A 1 +ATOM 213 C CB VAL 29 . . A 1 27.486 31.891 24.303 1.00 7.57 ? CB VAL 29 A 1 +ATOM 214 C CG1 VAL 29 . . A 1 28.899 31.370 24.409 1.00 7.89 ? CG1 VAL 29 A 1 +ATOM 215 C CG2 VAL 29 . . A 1 27.458 33.433 24.518 1.00 6.16 ? CG2 VAL 29 A 1 +ATOM 216 N N PHE 30 . . A 1 26.469 29.154 23.332 1.00 7.49 ? N PHE 30 A 1 +ATOM 217 C CA PHE 30 . . A 1 26.606 27.707 23.121 1.00 7.01 ? CA PHE 30 A 1 +ATOM 218 C C PHE 30 . . A 1 26.136 27.212 21.756 1.00 7.21 ? C PHE 30 A 1 +ATOM 219 O O PHE 30 . . A 1 26.792 26.404 21.128 1.00 6.86 ? O PHE 30 A 1 +ATOM 220 C CB PHE 30 . . A 1 25.893 26.960 24.228 1.00 7 ? CB PHE 30 A 1 +ATOM 221 C CG PHE 30 . . A 1 26.665 26.936 25.514 1.00 6.05 ? CG PHE 30 A 1 +ATOM 222 C CD1 PHE 30 . . A 1 28.066 26.954 25.508 1.00 4.97 ? CD1 PHE 30 A 1 +ATOM 223 C CD2 PHE 30 . . A 1 26.001 26.842 26.735 1.00 4.7 ? CD2 PHE 30 A 1 +ATOM 224 C CE1 PHE 30 . . A 1 28.786 26.873 26.704 1.00 3.77 ? CE1 PHE 30 A 1 +ATOM 225 C CE2 PHE 30 . . A 1 26.724 26.763 27.921 1.00 4.13 ? CE2 PHE 30 A 1 +ATOM 226 C CZ PHE 30 . . A 1 28.118 26.780 27.893 1.00 2.96 ? CZ PHE 30 A 1 +ATOM 227 N N LYS 31 . . A 1 25.007 27.737 21.289 1.00 9.22 ? N LYS 31 A 1 +ATOM 228 C CA LYS 31 . . A 1 24.465 27.362 20.003 1.00 9.74 ? CA LYS 31 A 1 +ATOM 229 C C LYS 31 . . A 1 25.468 27.769 18.973 1.00 10.79 ? C LYS 31 A 1 +ATOM 230 O O LYS 31 . . A 1 25.726 27.029 18.067 1.00 11.32 ? O LYS 31 A 1 +ATOM 231 C CB LYS 31 . . A 1 23.164 28.080 19.739 1.00 10.71 ? CB LYS 31 A 1 +ATOM 232 C CG LYS 31 . . A 1 21.959 27.448 20.394 1.00 15 ? CG LYS 31 A 1 +ATOM 233 C CD LYS 31 . . A 1 21.142 26.655 19.377 1.00 18.28 ? CD LYS 31 A 1 +ATOM 234 C CE LYS 31 . . A 1 19.630 26.666 19.692 1.00 20.79 ? CE LYS 31 A 1 +ATOM 235 N NZ LYS 31 . . A 1 19.282 26.112 21.023 1.00 19.71 ? NZ LYS 31 A 1 +ATOM 236 N N GLN 32 . . A 1 26.018 28.963 19.088 1.00 9.07 ? N GLN 32 A 1 +ATOM 237 C CA GLN 32 . . A 1 27.009 29.365 18.127 1.00 10.35 ? CA GLN 32 A 1 +ATOM 238 C C GLN 32 . . A 1 28.242 28.433 18.223 1.00 9.02 ? C GLN 32 A 1 +ATOM 239 O O GLN 32 . . A 1 28.852 28.088 17.218 1.00 8.6 ? O GLN 32 A 1 +ATOM 240 C CB GLN 32 . . A 1 27.401 30.823 18.374 1.00 11.61 ? CB GLN 32 A 1 +ATOM 241 C CG GLN 32 . . A 1 28.527 31.312 17.476 1.00 11.88 ? CG GLN 32 A 1 +ATOM 242 C CD GLN 32 . . A 1 28.791 32.813 17.645 1.00 13.83 ? CD GLN 32 A 1 +ATOM 243 O OE1 GLN 32 . . A 1 28.586 33.364 18.726 1.00 15.61 ? OE1 GLN 32 A 1 +ATOM 244 N NE2 GLN 32 . . A 1 29.172 33.478 16.571 1.00 12.31 ? NE2 GLN 32 A 1 +ATOM 245 N N TYR 33 . . A 1 28.656 28.118 19.451 1.00 8.39 ? N TYR 33 A 1 +ATOM 246 C CA TYR 33 . . A 1 29.773 27.206 19.679 1.00 6.4 ? CA TYR 33 A 1 +ATOM 247 C C TYR 33 . . A 1 29.509 25.862 18.941 1.00 5.87 ? C TYR 33 A 1 +ATOM 248 O O TYR 33 . . A 1 30.320 25.372 18.149 1.00 4.8 ? O TYR 33 A 1 +ATOM 249 C CB TYR 33 . . A 1 29.946 27.000 21.178 1.00 6.67 ? CB TYR 33 A 1 +ATOM 250 C CG TYR 33 . . A 1 31.015 25.993 21.502 1.00 6.95 ? CG TYR 33 A 1 +ATOM 251 C CD1 TYR 33 . . A 1 32.355 26.338 21.387 1.00 7.21 ? CD1 TYR 33 A 1 +ATOM 252 C CD2 TYR 33 . . A 1 30.689 24.686 21.899 1.00 6.38 ? CD2 TYR 33 A 1 +ATOM 253 C CE1 TYR 33 . . A 1 33.374 25.417 21.669 1.00 9.67 ? CE1 TYR 33 A 1 +ATOM 254 C CE2 TYR 33 . . A 1 31.674 23.754 22.177 1.00 6.66 ? CE2 TYR 33 A 1 +ATOM 255 C CZ TYR 33 . . A 1 33.027 24.125 22.072 1.00 8.46 ? CZ TYR 33 A 1 +ATOM 256 O OH TYR 33 . . A 1 34.039 23.263 22.408 1.00 9.4 ? OH TYR 33 A 1 +ATOM 257 N N ALA 34 . . A 1 28.338 25.291 19.178 1.00 7.5 ? N ALA 34 A 1 +ATOM 258 C CA ALA 34 . . A 1 27.920 24.046 18.545 1.00 8.91 ? CA ALA 34 A 1 +ATOM 259 C C ALA 34 . . A 1 27.949 24.186 17.057 1.00 10.19 ? C ALA 34 A 1 +ATOM 260 O O ALA 34 . . A 1 28.450 23.338 16.372 1.00 9.37 ? O ALA 34 A 1 +ATOM 261 C CB ALA 34 . . A 1 26.496 23.710 18.955 1.00 7.87 ? CB ALA 34 A 1 +ATOM 262 N N ASN 35 . . A 1 27.384 25.279 16.574 1.00 11.9 ? N ASN 35 A 1 +ATOM 263 C CA ASN 35 . . A 1 27.274 25.513 15.161 1.00 14.15 ? CA ASN 35 A 1 +ATOM 264 C C ASN 35 . . A 1 28.633 25.557 14.477 1.00 13.33 ? C ASN 35 A 1 +ATOM 265 O O ASN 35 . . A 1 28.846 24.927 13.425 1.00 10.58 ? O ASN 35 A 1 +ATOM 266 C CB ASN 35 . . A 1 26.487 26.810 14.914 1.00 20.29 ? CB ASN 35 A 1 +ATOM 267 C CG ASN 35 . . A 1 24.932 26.584 14.787 1.00 23.22 ? CG ASN 35 A 1 +ATOM 268 O OD1 ASN 35 . . A 1 24.309 27.068 13.800 1.00 26.74 ? OD1 ASN 35 A 1 +ATOM 269 N ND2 ASN 35 . . A 1 24.299 25.919 15.788 1.00 21.89 ? ND2 ASN 35 A 1 +ATOM 270 N N ASP 36 . . A 1 29.550 26.286 15.097 1.00 10.96 ? N ASP 36 A 1 +ATOM 271 C CA ASP 36 . . A 1 30.915 26.410 14.554 1.00 14.21 ? CA ASP 36 A 1 +ATOM 272 C C ASP 36 . . A 1 31.675 25.089 14.557 1.00 9.94 ? C ASP 36 A 1 +ATOM 273 O O ASP 36 . . A 1 32.637 24.933 13.842 1.00 11.88 ? O ASP 36 A 1 +ATOM 274 C CB ASP 36 . . A 1 31.737 27.446 15.334 1.00 13.3 ? CB ASP 36 A 1 +ATOM 275 C CG ASP 36 . . A 1 31.270 28.892 15.089 1.00 19.45 ? CG ASP 36 A 1 +ATOM 276 O OD1 ASP 36 . . A 1 30.426 29.168 14.164 1.00 17.91 ? OD1 ASP 36 A 1 +ATOM 277 O OD2 ASP 36 . . A 1 31.807 29.761 15.834 1.00 18.68 ? OD2 ASP 36 A 1 +ATOM 278 N N ASN 37 . . A 1 31.237 24.154 15.379 1.00 10.35 ? N ASN 37 A 1 +ATOM 279 C CA ASN 37 . . A 1 31.910 22.848 15.442 1.00 10.08 ? CA ASN 37 A 1 +ATOM 280 C C ASN 37 . . A 1 31.204 21.703 14.705 1.00 8.66 ? C ASN 37 A 1 +ATOM 281 O O ASN 37 . . A 1 31.499 20.533 14.960 1.00 10.48 ? O ASN 37 A 1 +ATOM 282 C CB ASN 37 . . A 1 32.217 22.467 16.889 1.00 9.61 ? CB ASN 37 A 1 +ATOM 283 C CG ASN 37 . . A 1 33.232 23.388 17.496 1.00 10.43 ? CG ASN 37 A 1 +ATOM 284 O OD1 ASN 37 . . A 1 34.434 23.277 17.242 1.00 10.4 ? OD1 ASN 37 A 1 +ATOM 285 N ND2 ASN 37 . . A 1 32.760 24.275 18.360 1.00 10.05 ? ND2 ASN 37 A 1 +ATOM 286 N N GLY 38 . . A 1 30.255 22.076 13.847 1.00 7.27 ? N GLY 38 A 1 +ATOM 287 C CA GLY 38 . . A 1 29.514 21.139 13.029 1.00 9.93 ? CA GLY 38 A 1 +ATOM 288 C C GLY 38 . . A 1 28.423 20.349 13.682 1.00 9.26 ? C GLY 38 A 1 +ATOM 289 O O GLY 38 . . A 1 27.981 19.401 13.076 1.00 10.47 ? O GLY 38 A 1 +ATOM 290 N N VAL 39 . . A 1 28.018 20.735 14.895 1.00 9.93 ? N VAL 39 A 1 +ATOM 291 C CA VAL 39 . . A 1 26.982 20.057 15.673 1.00 11.05 ? CA VAL 39 A 1 +ATOM 292 C C VAL 39 . . A 1 25.623 20.694 15.351 1.00 13.05 ? C VAL 39 A 1 +ATOM 293 O O VAL 39 . . A 1 25.519 21.922 15.147 1.00 13.46 ? O VAL 39 A 1 +ATOM 294 C CB VAL 39 . . A 1 27.256 20.156 17.179 1.00 11.99 ? CB VAL 39 A 1 +ATOM 295 C CG1 VAL 39 . . A 1 26.190 19.386 17.992 1.00 11.01 ? CG1 VAL 39 A 1 +ATOM 296 C CG2 VAL 39 . . A 1 28.618 19.623 17.474 1.00 12.09 ? CG2 VAL 39 A 1 +ATOM 297 N N ASP 40 . . A 1 24.627 19.823 15.237 1.00 12.8 ? N ASP 40 A 1 +ATOM 298 C CA ASP 40 . . A 1 23.273 20.165 14.911 1.00 16.78 ? CA ASP 40 A 1 +ATOM 299 C C ASP 40 . . A 1 22.364 19.106 15.560 1.00 16.32 ? C ASP 40 A 1 +ATOM 300 O O ASP 40 . . A 1 22.057 18.080 14.952 1.00 17.59 ? O ASP 40 A 1 +ATOM 301 C CB ASP 40 . . A 1 23.133 20.098 13.390 1.00 19.31 ? CB ASP 40 A 1 +ATOM 302 C CG ASP 40 . . A 1 21.922 20.848 12.870 1.00 21.54 ? CG ASP 40 A 1 +ATOM 303 O OD1 ASP 40 . . A 1 21.056 21.312 13.659 1.00 21.98 ? OD1 ASP 40 A 1 +ATOM 304 O OD2 ASP 40 . . A 1 21.855 20.980 11.621 1.00 27 ? OD2 ASP 40 A 1 +ATOM 305 N N GLY 41 . . A 1 21.933 19.353 16.786 1.00 15.38 ? N GLY 41 A 1 +ATOM 306 C CA GLY 41 . . A 1 21.070 18.388 17.442 1.00 14.55 ? CA GLY 41 A 1 +ATOM 307 C C GLY 41 . . A 1 19.901 18.972 18.209 1.00 13.77 ? C GLY 41 A 1 +ATOM 308 O O GLY 41 . . A 1 19.433 20.086 17.910 1.00 14.74 ? O GLY 41 A 1 +ATOM 309 N N GLU 42 . . A 1 19.370 18.175 19.131 1.00 14.03 ? N GLU 42 A 1 +ATOM 310 C CA GLU 42 . . A 1 18.281 18.573 20.025 1.00 15.15 ? CA GLU 42 A 1 +ATOM 311 C C GLU 42 . . A 1 18.921 19.078 21.289 1.00 13.42 ? C GLU 42 A 1 +ATOM 312 O O GLU 42 . . A 1 19.965 18.538 21.727 1.00 9.64 ? O GLU 42 A 1 +ATOM 313 C CB GLU 42 . . A 1 17.322 17.413 20.322 1.00 20.68 ? CB GLU 42 A 1 +ATOM 314 C CG GLU 42 . . A 1 16.345 17.122 19.126 1.00 26.2 ? CG GLU 42 A 1 +ATOM 315 C CD GLU 42 . . A 1 15.372 15.922 19.367 1.00 32.15 ? CD GLU 42 A 1 +ATOM 316 O OE1 GLU 42 . . A 1 15.872 14.870 19.871 1.00 32.35 ? OE1 GLU 42 A 1 +ATOM 317 O OE2 GLU 42 . . A 1 14.131 16.030 19.037 1.00 31.5 ? OE2 GLU 42 A 1 +ATOM 318 N N TRP 43 . . A 1 18.309 20.141 21.827 1.00 10.4 ? N TRP 43 A 1 +ATOM 319 C CA TRP 43 . . A 1 18.773 20.830 23.024 1.00 8.43 ? CA TRP 43 A 1 +ATOM 320 C C TRP 43 . . A 1 17.801 20.725 24.189 1.00 9.38 ? C TRP 43 A 1 +ATOM 321 O O TRP 43 . . A 1 16.599 20.589 24.004 1.00 10.29 ? O TRP 43 A 1 +ATOM 322 C CB TRP 43 . . A 1 18.916 22.349 22.770 1.00 8.33 ? CB TRP 43 A 1 +ATOM 323 C CG TRP 43 . . A 1 19.989 22.746 21.842 1.00 7.08 ? CG TRP 43 A 1 +ATOM 324 C CD1 TRP 43 . . A 1 19.989 22.613 20.492 1.00 8.75 ? CD1 TRP 43 A 1 +ATOM 325 C CD2 TRP 43 . . A 1 21.244 23.292 22.191 1.00 7.08 ? CD2 TRP 43 A 1 +ATOM 326 N NE1 TRP 43 . . A 1 21.189 23.036 19.961 1.00 5.66 ? NE1 TRP 43 A 1 +ATOM 327 C CE2 TRP 43 . . A 1 21.986 23.454 20.988 1.00 7.08 ? CE2 TRP 43 A 1 +ATOM 328 C CE3 TRP 43 . . A 1 21.832 23.656 23.393 1.00 7.63 ? CE3 TRP 43 A 1 +ATOM 329 C CZ2 TRP 43 . . A 1 23.285 23.970 20.963 1.00 7 ? CZ2 TRP 43 A 1 +ATOM 330 C CZ3 TRP 43 . . A 1 23.098 24.165 23.376 1.00 7.78 ? CZ3 TRP 43 A 1 +ATOM 331 C CH2 TRP 43 . . A 1 23.826 24.318 22.161 1.00 7.62 ? CH2 TRP 43 A 1 +ATOM 332 N N THR 44 . . A 1 18.341 20.860 25.397 1.00 6.73 ? N THR 44 A 1 +ATOM 333 C CA THR 44 . . A 1 17.568 20.872 26.600 1.00 7.41 ? CA THR 44 A 1 +ATOM 334 C C THR 44 . . A 1 18.370 21.803 27.458 1.00 7.32 ? C THR 44 A 1 +ATOM 335 O O THR 44 . . A 1 19.564 22.051 27.162 1.00 8.3 ? O THR 44 A 1 +ATOM 336 C CB THR 44 . . A 1 17.477 19.475 27.325 1.00 6.34 ? CB THR 44 A 1 +ATOM 337 O OG1 THR 44 . . A 1 18.768 19.116 27.844 1.00 8.74 ? OG1 THR 44 A 1 +ATOM 338 C CG2 THR 44 . . A 1 16.965 18.331 26.382 1.00 4.42 ? CG2 THR 44 A 1 +ATOM 339 N N TYR 45 . . A 1 17.707 22.422 28.434 1.00 6.33 ? N TYR 45 A 1 +ATOM 340 C CA TYR 45 . . A 1 18.383 23.292 29.382 1.00 6.58 ? CA TYR 45 A 1 +ATOM 341 C C TYR 45 . . A 1 17.795 22.951 30.738 1.00 6.24 ? C TYR 45 A 1 +ATOM 342 O O TYR 45 . . A 1 16.594 22.894 30.859 1.00 8.16 ? O TYR 45 A 1 +ATOM 343 C CB TYR 45 . . A 1 18.153 24.791 29.123 1.00 6.32 ? CB TYR 45 A 1 +ATOM 344 C CG TYR 45 . . A 1 18.630 25.646 30.300 1.00 7.32 ? CG TYR 45 A 1 +ATOM 345 C CD1 TYR 45 . . A 1 19.993 25.696 30.649 1.00 6 ? CD1 TYR 45 A 1 +ATOM 346 C CD2 TYR 45 . . A 1 17.716 26.386 31.095 1.00 7.75 ? CD2 TYR 45 A 1 +ATOM 347 C CE1 TYR 45 . . A 1 20.434 26.427 31.704 1.00 6.17 ? CE1 TYR 45 A 1 +ATOM 348 C CE2 TYR 45 . . A 1 18.165 27.134 32.159 1.00 8.06 ? CE2 TYR 45 A 1 +ATOM 349 C CZ TYR 45 . . A 1 19.531 27.144 32.461 1.00 6.37 ? CZ TYR 45 A 1 +ATOM 350 O OH TYR 45 . . A 1 20.003 27.846 33.547 1.00 7.74 ? OH TYR 45 A 1 +ATOM 351 N N ASP 46 . . A 1 18.637 22.717 31.736 1.00 6.35 ? N ASP 46 A 1 +ATOM 352 C CA ASP 46 . . A 1 18.189 22.395 33.084 1.00 6.11 ? CA ASP 46 A 1 +ATOM 353 C C ASP 46 . . A 1 18.762 23.422 34.046 1.00 7.28 ? C ASP 46 A 1 +ATOM 354 O O ASP 46 . . A 1 19.956 23.402 34.423 1.00 4.29 ? O ASP 46 A 1 +ATOM 355 C CB ASP 46 . . A 1 18.608 20.963 33.468 1.00 7.79 ? CB ASP 46 A 1 +ATOM 356 C CG ASP 46 . . A 1 18.147 20.542 34.888 1.00 7.44 ? CG ASP 46 A 1 +ATOM 357 O OD1 ASP 46 . . A 1 17.386 21.232 35.591 1.00 5 ? OD1 ASP 46 A 1 +ATOM 358 O OD2 ASP 46 . . A 1 18.551 19.448 35.270 1.00 9.02 ? OD2 ASP 46 A 1 +ATOM 359 N N ASP 47 . . A 1 17.863 24.323 34.417 1.00 6.68 ? N ASP 47 A 1 +ATOM 360 C CA ASP 47 . . A 1 18.172 25.408 35.266 1.00 8.65 ? CA ASP 47 A 1 +ATOM 361 C C ASP 47 . . A 1 18.635 24.975 36.607 1.00 10.53 ? C ASP 47 A 1 +ATOM 362 O O ASP 47 . . A 1 19.331 25.709 37.256 1.00 10.1 ? O ASP 47 A 1 +ATOM 363 C CB ASP 47 . . A 1 16.952 26.264 35.444 1.00 9.98 ? CB ASP 47 A 1 +ATOM 364 C CG ASP 47 . . A 1 17.294 27.588 36.038 1.00 13.07 ? CG ASP 47 A 1 +ATOM 365 O OD1 ASP 47 . . A 1 18.182 28.307 35.517 1.00 11.85 ? OD1 ASP 47 A 1 +ATOM 366 O OD2 ASP 47 . . A 1 16.710 27.874 37.084 1.00 14.99 ? OD2 ASP 47 A 1 +ATOM 367 N N ALA 48 . . A 1 18.101 23.853 37.083 1.00 10.72 ? N ALA 48 A 1 +ATOM 368 C CA ALA 48 . . A 1 18.486 23.283 38.379 1.00 9.53 ? CA ALA 48 A 1 +ATOM 369 C C ALA 48 . . A 1 19.959 22.961 38.447 1.00 8.82 ? C ALA 48 A 1 +ATOM 370 O O ALA 48 . . A 1 20.523 22.904 39.507 1.00 10.62 ? O ALA 48 A 1 +ATOM 371 C CB ALA 48 . . A 1 17.677 22.025 38.647 1.00 11.11 ? CB ALA 48 A 1 +ATOM 372 N N THR 49 . . A 1 20.603 22.757 37.316 1.00 9.51 ? N THR 49 A 1 +ATOM 373 C CA THR 49 . . A 1 22.029 22.470 37.333 1.00 8.4 ? CA THR 49 A 1 +ATOM 374 C C THR 49 . . A 1 22.748 23.435 36.395 1.00 7.98 ? C THR 49 A 1 +ATOM 375 O O THR 49 . . A 1 23.941 23.324 36.212 1.00 9.23 ? O THR 49 A 1 +ATOM 376 C CB THR 49 . . A 1 22.345 20.975 36.913 1.00 8.34 ? CB THR 49 A 1 +ATOM 377 O OG1 THR 49 . . A 1 22.050 20.810 35.525 1.00 6.78 ? OG1 THR 49 A 1 +ATOM 378 C CG2 THR 49 . . A 1 21.457 19.962 37.702 1.00 6.32 ? CG2 THR 49 A 1 +ATOM 379 N N LYS 50 . . A 1 22.009 24.371 35.800 1.00 7.05 ? N LYS 50 A 1 +ATOM 380 C CA LYS 50 . . A 1 22.552 25.343 34.873 1.00 8.49 ? CA LYS 50 A 1 +ATOM 381 C C LYS 50 . . A 1 23.219 24.646 33.689 1.00 8.72 ? C LYS 50 A 1 +ATOM 382 O O LYS 50 . . A 1 24.189 25.166 33.141 1.00 8.51 ? O LYS 50 A 1 +ATOM 383 C CB LYS 50 . . A 1 23.573 26.291 35.570 1.00 11.17 ? CB LYS 50 A 1 +ATOM 384 C CG LYS 50 . . A 1 23.028 27.095 36.711 1.00 10.11 ? CG LYS 50 A 1 +ATOM 385 C CD LYS 50 . . A 1 21.867 27.977 36.252 1.00 13.37 ? CD LYS 50 A 1 +ATOM 386 C CE LYS 50 . . A 1 21.143 28.680 37.483 1.00 12.12 ? CE LYS 50 A 1 +ATOM 387 N NZ LYS 50 . . A 1 20.184 29.770 37.143 1.00 15.16 ? NZ LYS 50 A 1 +ATOM 388 N N THR 51 . . A 1 22.654 23.514 33.255 1.00 7.92 ? N THR 51 A 1 +ATOM 389 C CA THR 51 . . A 1 23.221 22.742 32.156 1.00 7.95 ? CA THR 51 A 1 +ATOM 390 C C THR 51 . . A 1 22.435 22.672 30.858 1.00 5.18 ? C THR 51 A 1 +ATOM 391 O O THR 51 . . A 1 21.235 22.535 30.854 1.00 3.35 ? O THR 51 A 1 +ATOM 392 C CB THR 51 . . A 1 23.549 21.266 32.600 1.00 8.94 ? CB THR 51 A 1 +ATOM 393 O OG1 THR 51 . . A 1 24.412 21.311 33.730 1.00 10.06 ? OG1 THR 51 A 1 +ATOM 394 C CG2 THR 51 . . A 1 24.324 20.498 31.477 1.00 11.18 ? CG2 THR 51 A 1 +ATOM 395 N N PHE 52 . . A 1 23.152 22.808 29.756 1.00 3.88 ? N PHE 52 A 1 +ATOM 396 C CA PHE 52 . . A 1 22.568 22.724 28.431 1.00 5.35 ? CA PHE 52 A 1 +ATOM 397 C C PHE 52 . . A 1 23.139 21.448 27.853 1.00 5.94 ? C PHE 52 A 1 +ATOM 398 O O PHE 52 . . A 1 24.298 21.110 28.112 1.00 7.6 ? O PHE 52 A 1 +ATOM 399 C CB PHE 52 . . A 1 23.077 23.828 27.506 1.00 4.56 ? CB PHE 52 A 1 +ATOM 400 C CG PHE 52 . . A 1 22.484 25.155 27.766 1.00 5.8 ? CG PHE 52 A 1 +ATOM 401 C CD1 PHE 52 . . A 1 22.962 25.955 28.824 1.00 6.35 ? CD1 PHE 52 A 1 +ATOM 402 C CD2 PHE 52 . . A 1 21.488 25.630 26.943 1.00 6.87 ? CD2 PHE 52 A 1 +ATOM 403 C CE1 PHE 52 . . A 1 22.460 27.242 29.066 1.00 6.65 ? CE1 PHE 52 A 1 +ATOM 404 C CE2 PHE 52 . . A 1 20.946 26.900 27.152 1.00 7.62 ? CE2 PHE 52 A 1 +ATOM 405 C CZ PHE 52 . . A 1 21.438 27.729 28.226 1.00 7.28 ? CZ PHE 52 A 1 +ATOM 406 N N THR 53 . . A 1 22.359 20.748 27.052 1.00 5.79 ? N THR 53 A 1 +ATOM 407 C CA THR 53 . . A 1 22.885 19.561 26.411 1.00 5.92 ? CA THR 53 A 1 +ATOM 408 C C THR 53 . . A 1 22.419 19.621 24.955 1.00 5.65 ? C THR 53 A 1 +ATOM 409 O O THR 53 . . A 1 21.309 20.087 24.688 1.00 6.81 ? O THR 53 A 1 +ATOM 410 C CB THR 53 . . A 1 22.400 18.226 27.067 1.00 5.16 ? CB THR 53 A 1 +ATOM 411 O OG1 THR 53 . . A 1 21.054 17.997 26.672 1.00 9.4 ? OG1 THR 53 A 1 +ATOM 412 C CG2 THR 53 . . A 1 22.407 18.291 28.569 1.00 5.06 ? CG2 THR 53 A 1 +ATOM 413 N N VAL 54 . . A 1 23.285 19.248 24.008 1.00 5.98 ? N VAL 54 A 1 +ATOM 414 C CA VAL 54 . . A 1 22.856 19.172 22.598 1.00 5.44 ? CA VAL 54 A 1 +ATOM 415 C C VAL 54 . . A 1 23.112 17.708 22.184 1.00 4.77 ? C VAL 54 A 1 +ATOM 416 O O VAL 54 . . A 1 24.161 17.151 22.491 1.00 3.99 ? O VAL 54 A 1 +ATOM 417 C CB VAL 54 . . A 1 23.576 20.167 21.671 1.00 3.09 ? CB VAL 54 A 1 +ATOM 418 C CG1 VAL 54 . . A 1 25.091 20.092 21.843 1.00 3.65 ? CG1 VAL 54 A 1 +ATOM 419 C CG2 VAL 54 . . A 1 23.136 19.922 20.206 1.00 5.1 ? CG2 VAL 54 A 1 +ATOM 420 N N THR 55 . . A 1 22.210 17.134 21.421 1.00 5.48 ? N THR 55 A 1 +ATOM 421 C CA THR 55 . . A 1 22.364 15.731 21.085 1.00 6.69 ? CA THR 55 A 1 +ATOM 422 C C THR 55 . . A 1 22.039 15.472 19.632 1.00 8.52 ? C THR 55 A 1 +ATOM 423 O O THR 55 . . A 1 20.995 15.860 19.189 1.00 12.3 ? O THR 55 A 1 +ATOM 424 C CB THR 55 . . A 1 21.406 14.955 21.979 1.00 5.3 ? CB THR 55 A 1 +ATOM 425 O OG1 THR 55 . . A 1 21.786 15.194 23.326 1.00 4.67 ? OG1 THR 55 A 1 +ATOM 426 C CG2 THR 55 . . A 1 21.441 13.470 21.755 1.00 6 ? CG2 THR 55 A 1 +ATOM 427 N N GLU 56 . . A 1 22.905 14.843 18.864 1.00 8.91 ? N GLU 56 A 1 +ATOM 428 C CA GLU 56 . . A 1 22.553 14.567 17.468 1.00 13.22 ? CA GLU 56 A 1 +ATOM 429 C C GLU 56 . . A 1 22.022 13.143 17.330 1.00 13.01 ? C GLU 56 A 1 +ATOM 430 O O GLU 56 . . A 1 22.353 12.301 18.190 1.00 14.55 ? O GLU 56 A 1 +ATOM 431 C CB GLU 56 . . A 1 23.736 14.723 16.538 1.00 13.01 ? CB GLU 56 A 1 +ATOM 432 C CG GLU 56 . . A 1 24.277 16.065 16.470 1.00 14.87 ? CG GLU 56 A 1 +ATOM 433 C CD GLU 56 . . A 1 25.430 16.161 15.494 1.00 15.68 ? CD GLU 56 A 1 +ATOM 434 O OE1 GLU 56 . . A 1 26.403 15.371 15.576 1.00 17.54 ? OE1 GLU 56 A 1 +ATOM 435 O OE2 GLU 56 . . A 1 25.381 17.081 14.664 1.00 18.6 ? OE2 GLU 56 A 1 +ATOM 436 O OXT GLU 56 . . A 1 21.296 12.892 16.369 1.00 15.04 ? OXT GLU 56 A 1 +HETATM 437 O O HOH . . . B 2 20.045 17.338 24.112 1.00 3.04 ? O HOH 57 A 1 +HETATM 438 O O HOH . . . B 2 29.284 15.933 16.005 1.00 3.9 ? O HOH 58 A 1 +HETATM 439 O O HOH . . . B 2 30.968 17.869 15.018 0.94 11.86 ? O HOH 59 A 1 +HETATM 440 O O HOH . . . B 2 36.384 21.652 27.812 0.96 15.46 ? O HOH 60 A 1 +HETATM 441 O O HOH . . . B 2 17.058 34.117 30.636 0.91 16.69 ? O HOH 61 A 1 +HETATM 442 O O HOH . . . B 2 27.844 16.414 13.404 1.00 23.36 ? O HOH 62 A 1 +HETATM 443 O O HOH . . . B 2 18.404 38.643 27.967 1.00 23.63 ? O HOH 63 A 1 +HETATM 444 O O HOH . . . B 2 19.968 31.460 34.797 1.00 23.75 ? O HOH 64 A 1 +HETATM 445 O O HOH . . . B 2 18.201 18.566 37.695 0.95 22.19 ? O HOH 65 A 1 +HETATM 446 O O HOH . . . B 2 28.632 36.880 26.524 1.00 24.51 ? O HOH 66 A 1 +HETATM 447 O O HOH . . . B 2 24.320 18.322 34.892 0.95 23.33 ? O HOH 67 A 1 +HETATM 448 O O HOH . . . B 2 34.515 20.297 15.278 0.95 24.44 ? O HOH 68 A 1 +HETATM 449 O O HOH . . . B 2 25.264 17.638 11.962 1.00 26.96 ? O HOH 69 A 1 +HETATM 450 O O HOH . . . B 2 27.030 30.620 14.393 1.00 30.28 ? O HOH 70 A 1 +HETATM 451 O O HOH . . . B 2 34.649 12.834 25.632 0.98 31.24 ? O HOH 71 A 1 +HETATM 452 O O HOH . . . B 2 18.195 33.437 33.740 0.88 30.66 ? O HOH 72 A 1 +HETATM 453 O O HOH . . . B 2 15.996 28.545 27.866 1.00 38.23 ? O HOH 73 A 1 +HETATM 454 O O HOH . . . B 2 22.964 13.047 25.143 0.94 34.64 ? O HOH 74 A 1 +HETATM 455 O O HOH . . . B 2 36.309 21.652 20.246 1.00 43.01 ? O HOH 75 A 1 +HETATM 456 O O HOH . . . B 2 15.334 21.462 20.777 0.91 37.63 ? O HOH 76 A 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 MET 1 1 1 MET MET A . n +A 1 2 THR 2 2 2 THR THR A . n +A 1 3 TYR 3 3 3 TYR TYR A . n +A 1 4 LYS 4 4 4 LYS LYS A . n +A 1 5 LEU 5 5 5 LEU LEU A . n +A 1 6 ILE 6 6 6 ILE ILE A . n +A 1 7 LEU 7 7 7 LEU LEU A . n +A 1 8 ASN 8 8 8 ASN ASN A . n +A 1 9 GLY 9 9 9 GLY GLY A . n +A 1 10 LYS 10 10 10 LYS LYS A . n +A 1 11 THR 11 11 11 THR THR A . n +A 1 12 LEU 12 12 12 LEU LEU A . n +A 1 13 LYS 13 13 13 LYS LYS A . n +A 1 14 GLY 14 14 14 GLY GLY A . n +A 1 15 GLU 15 15 15 GLU GLU A . n +A 1 16 THR 16 16 16 THR THR A . n +A 1 17 THR 17 17 17 THR THR A . n +A 1 18 THR 18 18 18 THR THR A . n +A 1 19 GLU 19 19 19 GLU GLU A . n +A 1 20 ALA 20 20 20 ALA ALA A . n +A 1 21 VAL 21 21 21 VAL VAL A . n +A 1 22 ASP 22 22 22 ASP ASP A . n +A 1 23 ALA 23 23 23 ALA ALA A . n +A 1 24 ALA 24 24 24 ALA ALA A . n +A 1 25 THR 25 25 25 THR THR A . n +A 1 26 ALA 26 26 26 ALA ALA A . n +A 1 27 GLU 27 27 27 GLU GLU A . n +A 1 28 LYS 28 28 28 LYS LYS A . n +A 1 29 VAL 29 29 29 VAL VAL A . n +A 1 30 PHE 30 30 30 PHE PHE A . n +A 1 31 LYS 31 31 31 LYS LYS A . n +A 1 32 GLN 32 32 32 GLN GLN A . n +A 1 33 TYR 33 33 33 TYR TYR A . n +A 1 34 ALA 34 34 34 ALA ALA A . n +A 1 35 ASN 35 35 35 ASN ASN A . n +A 1 36 ASP 36 36 36 ASP ASP A . n +A 1 37 ASN 37 37 37 ASN ASN A . n +A 1 38 GLY 38 38 38 GLY GLY A . n +A 1 39 VAL 39 39 39 VAL VAL A . n +A 1 40 ASP 40 40 40 ASP ASP A . n +A 1 41 GLY 41 41 41 GLY GLY A . n +A 1 42 GLU 42 42 42 GLU GLU A . n +A 1 43 TRP 43 43 43 TRP TRP A . n +A 1 44 THR 44 44 44 THR THR A . n +A 1 45 TYR 45 45 45 TYR TYR A . n +A 1 46 ASP 46 46 46 ASP ASP A . n +A 1 47 ASP 47 47 47 ASP ASP A . n +A 1 48 ALA 48 48 48 ALA ALA A . n +A 1 49 THR 49 49 49 THR THR A . n +A 1 50 LYS 50 50 50 LYS LYS A . n +A 1 51 THR 51 51 51 THR THR A . n +A 1 52 PHE 52 52 52 PHE PHE A . n +A 1 53 THR 53 53 53 THR THR A . n +A 1 54 VAL 54 54 54 VAL VAL A . n +A 1 55 THR 55 55 55 THR THR A . n +A 1 56 GLU 56 56 56 GLU GLU A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HOH A 1 57 57 HOH HOH . +B 2 HOH A 2 58 58 HOH HOH . +B 2 HOH A 3 59 59 HOH HOH . +B 2 HOH A 4 60 60 HOH HOH . +B 2 HOH A 5 61 61 HOH HOH . +B 2 HOH A 6 62 62 HOH HOH . +B 2 HOH A 7 63 63 HOH HOH . +B 2 HOH A 8 64 64 HOH HOH . +B 2 HOH A 9 65 65 HOH HOH . +B 2 HOH A 10 66 66 HOH HOH . +B 2 HOH A 11 67 67 HOH HOH . +B 2 HOH A 12 68 68 HOH HOH . +B 2 HOH A 13 69 69 HOH HOH . +B 2 HOH A 14 70 70 HOH HOH . +B 2 HOH A 15 71 71 HOH HOH . +B 2 HOH A 16 72 72 HOH HOH . +B 2 HOH A 17 73 73 HOH HOH . +B 2 HOH A 18 74 74 HOH HOH . +B 2 HOH A 19 75 75 HOH HOH . +B 2 HOH A 20 76 76 HOH HOH . +# +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1 +_pdbx_struct_oper_list.matrix[1][2] 0 +_pdbx_struct_oper_list.matrix[1][3] 0 +_pdbx_struct_oper_list.matrix[2][1] 0 +_pdbx_struct_oper_list.matrix[2][2] 1 +_pdbx_struct_oper_list.matrix[2][3] 0 +_pdbx_struct_oper_list.matrix[3][1] 0 +_pdbx_struct_oper_list.matrix[3][2] 0 +_pdbx_struct_oper_list.matrix[3][3] 1 +_pdbx_struct_oper_list.vector[1] 0 +_pdbx_struct_oper_list.vector[2] 0 +_pdbx_struct_oper_list.vector[3] 0 +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 1994-04-30 +2 'Structure model' 1 1 2008-03-24 +3 'Structure model' 1 2 2011-07-13 +4 'Structure model' 1 3 2017-11-29 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Version format compliance' +2 3 'Structure model' 'Version format compliance' +3 4 'Structure model' 'Derived calculations' +4 4 'Structure model' Other +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 4 'Structure model' pdbx_database_status +2 4 'Structure model' struct_conf +3 4 'Structure model' struct_conf_type +# +_pdbx_audit_revision_item.ordinal 1 +_pdbx_audit_revision_item.revision_ordinal 4 +_pdbx_audit_revision_item.data_content_type 'Structure model' +_pdbx_audit_revision_item.item '_pdbx_database_status.process_site' +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +'model building' . . X-PLOR . . 1 +refinement . . PROLSQ . . 2 +refinement . . X-PLOR . . 3 +phasing . . X-PLOR . . 4 +# +_pdbx_validate_torsion.id 1 +_pdbx_validate_torsion.PDB_model_num 1 +_pdbx_validate_torsion.auth_comp_id ASN +_pdbx_validate_torsion.auth_asym_id A +_pdbx_validate_torsion.auth_seq_id 8 +_pdbx_validate_torsion.PDB_ins_code . +_pdbx_validate_torsion.label_alt_id . +_pdbx_validate_torsion.phi -117.6 +_pdbx_validate_torsion.psi 69.54 +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.comp_id HOH +_pdbx_entity_nonpoly.name water # -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 10 +_model_server_stats.io_time_ms 5 +_model_server_stats.parse_time_ms 20 +_model_server_stats.create_model_time_ms 12 +_model_server_stats.query_time_ms 246 +_model_server_stats.encode_time_ms 9 +_model_server_stats.element_count 456 # diff --git a/src/test/resources/snapshot/1pga.cif.gz b/src/test/resources/snapshot/1pga.cif.gz index 2d7b3d1a8..7f9b585db 100644 Binary files a/src/test/resources/snapshot/1pga.cif.gz and b/src/test/resources/snapshot/1pga.cif.gz differ diff --git a/src/test/resources/snapshot/4cxl.bcif b/src/test/resources/snapshot/4cxl.bcif index 74724a943..ed33446cf 100644 Binary files a/src/test/resources/snapshot/4cxl.bcif and b/src/test/resources/snapshot/4cxl.bcif differ diff --git a/src/test/resources/snapshot/4cxl.bcif.gz b/src/test/resources/snapshot/4cxl.bcif.gz index 4c3737a1e..89abd4dc4 100644 Binary files a/src/test/resources/snapshot/4cxl.bcif.gz and b/src/test/resources/snapshot/4cxl.bcif.gz differ diff --git a/src/test/resources/snapshot/4cxl.cif b/src/test/resources/snapshot/4cxl.cif index ac42e8c20..c45f11231 100644 --- a/src/test/resources/snapshot/4cxl.cif +++ b/src/test/resources/snapshot/4cxl.cif @@ -1,684 +1,621 @@ data_4CXL # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:41:20' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id qjfD-6pph72Xn9hhVaZYmQ +_model_server_result.datetime_utc '2022-06-14 23:44:19' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 4cxl # _entry.id 4CXL # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.279 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer syn 'INSULIN A CHAIN' ? ? . ? ? ? -2 polymer syn 'INSULIN B CHAIN' ? ? . YES ? ? -3 non-polymer syn 'CHLORIDE ION' ? ? . ? ? ? -4 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 4CXL +pdbe EBI-60260 +wwpdb D_1290060260 # -_exptl.entry_id 4CXL -_exptl.method 'X-ray diffraction' +_pdbx_database_related.db_name PDB +_pdbx_database_related.details 'CRYSTAL STRUCTURE OF HUMAN INSULIN ANALOGUE (NME-ALAB8) -INSULIN CRYSTAL FORM I' +_pdbx_database_related.db_id 4CXN +_pdbx_database_related.content_type unspecified # -loop_ -_struct_conf.conf_type_id -_struct_conf.id -_struct_conf.pdbx_PDB_helix_id -_struct_conf.beg_label_comp_id -_struct_conf.beg_label_asym_id -_struct_conf.beg_label_seq_id -_struct_conf.pdbx_beg_PDB_ins_code -_struct_conf.end_label_comp_id -_struct_conf.end_label_asym_id -_struct_conf.end_label_seq_id -_struct_conf.pdbx_end_PDB_ins_code -_struct_conf.beg_auth_comp_id -_struct_conf.beg_auth_asym_id -_struct_conf.beg_auth_seq_id -_struct_conf.end_auth_comp_id -_struct_conf.end_auth_asym_id -_struct_conf.end_auth_seq_id -_struct_conf.pdbx_PDB_helix_class -_struct_conf.details -_struct_conf.pdbx_PDB_helix_length -HELX_P HELX_P1 1 GLY A 1 . CYS A 7 . GLY A 1 CYS A 7 1 ? 7 -HELX_P HELX_P2 2 SER A 12 . ASN A 18 . SER A 12 ASN A 18 1 ? 7 -HELX_P HELX_P3 3 DPR B 8 . GLY B 20 . DPR B 8 GLY B 20 1 ? 13 -HELX_P HELX_P4 4 GLU B 21 . GLY B 23 . GLU B 21 GLY B 23 5 ? 3 +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf ? +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 4CXL +_pdbx_database_status.recvd_initial_deposition_date 2014-04-07 +_pdbx_database_status.SG_entry . +_pdbx_database_status.deposit_site PDBE +_pdbx_database_status.process_site PDBE +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # loop_ -_pdbx_struct_assembly.id -_pdbx_struct_assembly.details -_pdbx_struct_assembly.method_details -_pdbx_struct_assembly.oligomeric_details -_pdbx_struct_assembly.oligomeric_count -1 author_and_software_defined_assembly PQS tetrameric 4 -2 software_defined_assembly PISA hexameric 6 +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Kosinova, L.' 1 . +'Veverka, V.' 2 . +'Novotna, P.' 3 . +'Collinsova, M.' 4 . +'Urbanova, M.' 5 . +'Jiracek, J.' 6 . +'Moody, N.R.' 7 . +'Turkenburg, J.P.' 8 . +'Brzozowski, A.M.' 9 . +'Zakova, L.' 10 . # -loop_ -_pdbx_struct_assembly_gen.assembly_id -_pdbx_struct_assembly_gen.oper_expression -_pdbx_struct_assembly_gen.asym_id_list -1 1,2 A,B,C,D,E -2 1,3,4 A,B,C,D,E +_citation.book_publisher ? +_citation.country US +_citation.id primary +_citation.journal_abbrev Biochemistry +_citation.journal_id_ASTM BICHAW +_citation.journal_id_CSD 33 +_citation.journal_id_ISSN 0006-2960 +_citation.journal_volume 53 +_citation.page_first 3392 +_citation.page_last ? +_citation.title 'An Insight Into Structural and Biological Relevance of the T/R Transition of the B-Chain N-Terminus in Human Insulin.' +_citation.year 2014 +_citation.pdbx_database_id_DOI 10.1021/BI500073Z +_citation.pdbx_database_id_PubMed 24819248 # loop_ -_pdbx_struct_oper_list.id -_pdbx_struct_oper_list.type -_pdbx_struct_oper_list.name -_pdbx_struct_oper_list.symmetry_operation -_pdbx_struct_oper_list.matrix[1][1] -_pdbx_struct_oper_list.matrix[1][2] -_pdbx_struct_oper_list.matrix[1][3] -_pdbx_struct_oper_list.vector[1] -_pdbx_struct_oper_list.matrix[2][1] -_pdbx_struct_oper_list.matrix[2][2] -_pdbx_struct_oper_list.matrix[2][3] -_pdbx_struct_oper_list.vector[2] -_pdbx_struct_oper_list.matrix[3][1] -_pdbx_struct_oper_list.matrix[3][2] -_pdbx_struct_oper_list.matrix[3][3] -_pdbx_struct_oper_list.vector[3] -1 'identity operation' 1_555 x,y,z 1 0 0 0 0 1 0 0 0 0 1 0 -2 'crystal symmetry operation' 16_555 x,-y,-z+1/2 1 0 0 0 0 -1 0 0 0 0 -1 39.33 -3 'crystal symmetry operation' 12_455 -y-1/2,-z,x+1/2 0 -1 0 -39.33 0 0 -1 0 1 0 0 39.33 -4 'crystal symmetry operation' 6_445 z-1/2,-x-1/2,-y 0 0 1 -39.33 -1 0 0 -39.33 0 -1 0 0 +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Kosinova, L.' 1 +primary 'Veverka, V.' 2 +primary 'Novotna, P.' 3 +primary 'Collinsova, M.' 4 +primary 'Urbanova, M.' 5 +primary 'Moody, N.R.' 6 +primary 'Turkenburg, J.P.' 7 +primary 'Jiracek, J.' 8 +primary 'Brzozowski, A.M.' 9 +primary 'Zakova, L.' 10 # +_cell.angle_alpha 90 +_cell.angle_beta 90 +_cell.angle_gamma 90 _cell.entry_id 4CXL _cell.length_a 78.66 _cell.length_b 78.66 _cell.length_c 78.66 -_cell.angle_alpha 90 -_cell.angle_beta 90 -_cell.angle_gamma 90 _cell.Z_PDB 24 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 4CXL -_symmetry.space_group_name_H-M 'I 21 3' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 199 -_symmetry.space_group_name_Hall . +_symmetry.entry_id 4CXL +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 199 +_symmetry.space_group_name_Hall . +_symmetry.space_group_name_H-M 'I 21 3' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 2383.698 1 syn polymer 'INSULIN A CHAIN' 1 ? ? ? +'GLY OF B8 SITE IS REPLACED BY D-AMINO ACID D-PROLINE' 3474.016 2 syn polymer 'INSULIN B CHAIN' 1 YES ? ? +? 35.453 3 syn non-polymer 'CHLORIDE ION' 1 ? ? ? +? 18.015 4 nat water water 57 ? ? ? # loop_ _entity_poly.entity_id -_entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer +_entity_poly.type +_entity_poly.pdbx_strand_id _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can -_entity_poly.pdbx_strand_id -1 polypeptide(L) no no GIVEQCCTSICSLYQLENYCN GIVEQCCTSICSLYQLENYCN A -2 polypeptide(L) no yes FVNQHLC(DPR)SHLVEALYLVCGERGFFYTPKT FVNQHLCPSHLVEALYLVCGERGFFYTPKT B +_entity_poly.pdbx_target_identifier +1 no no polypeptide(L) A GIVEQCCTSICSLYQLENYCN GIVEQCCTSICSLYQLENYCN ? +2 no yes polypeptide(L) B FVNQHLC(DPR)SHLVEALYLVCGERGFFYTPKT FVNQHLCPSHLVEALYLVCGERGFFYTPKT ? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 GLY n -1 2 ILE n -1 3 VAL n -1 4 GLU n -1 5 GLN n -1 6 CYS n -1 7 CYS n -1 8 THR n -1 9 SER n -1 10 ILE n -1 11 CYS n -1 12 SER n -1 13 LEU n -1 14 TYR n -1 15 GLN n -1 16 LEU n -1 17 GLU n -1 18 ASN n -1 19 TYR n -1 20 CYS n -1 21 ASN n -2 1 PHE n -2 2 VAL n -2 3 ASN n -2 4 GLN n -2 5 HIS n -2 6 LEU n -2 7 CYS n -2 8 DPR n -2 9 SER n -2 10 HIS n -2 11 LEU n -2 12 VAL n -2 13 GLU n -2 14 ALA n -2 15 LEU n -2 16 TYR n -2 17 LEU n -2 18 VAL n -2 19 CYS n -2 20 GLY n -2 21 GLU n -2 22 ARG n -2 23 GLY n -2 24 PHE n -2 25 PHE n -2 26 TYR n -2 27 THR n -2 28 PRO n -2 29 LYS n -2 30 THR n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n GLY 1 +1 n ILE 2 +1 n VAL 3 +1 n GLU 4 +1 n GLN 5 +1 n CYS 6 +1 n CYS 7 +1 n THR 8 +1 n SER 9 +1 n ILE 10 +1 n CYS 11 +1 n SER 12 +1 n LEU 13 +1 n TYR 14 +1 n GLN 15 +1 n LEU 16 +1 n GLU 17 +1 n ASN 18 +1 n TYR 19 +1 n CYS 20 +1 n ASN 21 +2 n PHE 1 +2 n VAL 2 +2 n ASN 3 +2 n GLN 4 +2 n HIS 5 +2 n LEU 6 +2 n CYS 7 +2 n DPR 8 +2 n SER 9 +2 n HIS 10 +2 n LEU 11 +2 n VAL 12 +2 n GLU 13 +2 n ALA 14 +2 n LEU 15 +2 n TYR 16 +2 n LEU 17 +2 n VAL 18 +2 n CYS 19 +2 n GLY 20 +2 n GLU 21 +2 n ARG 22 +2 n GLY 23 +2 n PHE 24 +2 n PHE 25 +2 n TYR 26 +2 n THR 27 +2 n PRO 28 +2 n LYS 29 +2 n THR 30 +# +loop_ +_pdbx_entity_src_syn.organism_scientific +_pdbx_entity_src_syn.entity_id +_pdbx_entity_src_syn.pdbx_src_id +_pdbx_entity_src_syn.pdbx_beg_seq_num +_pdbx_entity_src_syn.pdbx_end_seq_num +'HOMO SAPIENS' 1 1 ? ? +'HOMO SAPIENS' 2 1 ? ? +# +loop_ +_struct_ref.id +_struct_ref.db_name +_struct_ref.db_code +_struct_ref.entity_id +_struct_ref.pdbx_seq_one_letter_code +_struct_ref.pdbx_align_begin +_struct_ref.pdbx_db_accession +_struct_ref.pdbx_db_isoform +1 UNP INS_HUMAN 1 . . P01308 . +2 UNP INS_HUMAN 2 . . P01308 . +# +loop_ +_struct_ref_seq.align_id +_struct_ref_seq.ref_id +_struct_ref_seq.pdbx_PDB_id_code +_struct_ref_seq.pdbx_strand_id +_struct_ref_seq.seq_align_beg +_struct_ref_seq.pdbx_seq_align_beg_ins_code +_struct_ref_seq.seq_align_end +_struct_ref_seq.pdbx_seq_align_end_ins_code +_struct_ref_seq.pdbx_db_accession +_struct_ref_seq.db_align_beg +_struct_ref_seq.pdbx_db_align_beg_ins_code +_struct_ref_seq.db_align_end +_struct_ref_seq.pdbx_db_align_end_ins_code +_struct_ref_seq.pdbx_auth_seq_align_beg +_struct_ref_seq.pdbx_auth_seq_align_end +1 1 4CXL A 1 . 21 . P01308 90 . 110 . 1 21 +2 2 4CXL B 1 . 30 . P01308 25 . 54 . 1 30 +# +_struct_ref_seq_dif.align_id 2 +_struct_ref_seq_dif.pdbx_pdb_id_code 4CXL +_struct_ref_seq_dif.mon_id DPR +_struct_ref_seq_dif.pdbx_pdb_strand_id B +_struct_ref_seq_dif.seq_num 8 +_struct_ref_seq_dif.pdbx_pdb_ins_code . +_struct_ref_seq_dif.pdbx_seq_db_name UNP +_struct_ref_seq_dif.pdbx_seq_db_accession_code P01308 +_struct_ref_seq_dif.db_mon_id GLY +_struct_ref_seq_dif.pdbx_seq_db_seq_num 32 +_struct_ref_seq_dif.details 'engineered mutation' +_struct_ref_seq_dif.pdbx_auth_seq_num 8 +_struct_ref_seq_dif.pdbx_ordinal 1 +# +loop_ +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C3 H7 N O2' 89.093 ALA y ALANINE 'l-peptide linking' ? +'C6 H15 N4 O2 1' 175.209 ARG y ARGININE 'l-peptide linking' ? +'C4 H8 N2 O3' 132.118 ASN y ASPARAGINE 'l-peptide linking' ? +'Cl -1' 35.453 CL . 'CHLORIDE ION' non-polymer ? +'C3 H7 N O2 S' 121.158 CYS y CYSTEINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 DPR . D-PROLINE 'd-peptide linking' ? +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C5 H9 N O4' 147.129 GLU y 'GLUTAMIC ACID' 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'C6 H10 N3 O2 1' 156.162 HIS y HISTIDINE 'l-peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +'C6 H13 N O2' 131.173 LEU y LEUCINE 'l-peptide linking' ? +'C6 H15 N2 O2 1' 147.195 LYS y LYSINE 'l-peptide linking' ? +'C9 H11 N O2' 165.189 PHE y PHENYLALANINE 'l-peptide linking' ? +'C5 H9 N O2' 115.13 PRO y PROLINE 'l-peptide linking' ? +'C3 H7 N O3' 105.093 SER y SERINE 'l-peptide linking' ? +'C4 H9 N O3' 119.119 THR y THREONINE 'l-peptide linking' ? +'C9 H11 N O3' 181.189 TYR y TYROSINE 'l-peptide linking' ? +'C5 H11 N O2' 117.146 VAL y VALINE 'l-peptide linking' ? +# +_exptl.entry_id 4CXL +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.id 1 +_exptl_crystal.density_meas . +_exptl_crystal.density_Matthews 3.7 +_exptl_crystal.density_percent_sol 67 +_exptl_crystal.description NONE +# +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.method . +_exptl_crystal_grow.temp . +_exptl_crystal_grow.temp_details . +_exptl_crystal_grow.pH 8 +_exptl_crystal_grow.pdbx_pH_range . +_exptl_crystal_grow.pdbx_details '0.1 M TRIS/HCL PH 8.0, 0.2 SODIUM CITRATE, 40% V/V MPD, PROTEIN CONCENTRATION 5MG/ML IN 20 MM HCL' +# +_diffrn.id 1 +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details . +_diffrn.crystal_id 1 +# +_diffrn_detector.diffrn_id 1 +_diffrn_detector.detector PIXEL +_diffrn_detector.type 'DECTRIS PILATUS 2M' +_diffrn_detector.pdbx_collection_date 2012-12-16 +_diffrn_detector.details . +# +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.monochromator . +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.92 +_diffrn_radiation_wavelength.wt 1 +# +_diffrn_source.diffrn_id 1 +_diffrn_source.source SYNCHROTRON +_diffrn_source.type 'DIAMOND BEAMLINE I04' +_diffrn_source.pdbx_synchrotron_site Diamond +_diffrn_source.pdbx_synchrotron_beamline I04 +_diffrn_source.pdbx_wavelength 0.92 +_diffrn_source.pdbx_wavelength_list . +# +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.entry_id 4CXL +_reflns.observed_criterion_sigma_I 2 +_reflns.observed_criterion_sigma_F . +_reflns.d_resolution_low 39.33 +_reflns.d_resolution_high 1.5 +_reflns.number_obs 13097 +_reflns.number_all . +_reflns.percent_possible_obs 100 +_reflns.pdbx_Rmerge_I_obs 0.05 +_reflns.pdbx_Rsym_value . +_reflns.pdbx_netI_over_sigmaI 31.8 +_reflns.B_iso_Wilson_estimate 29.7 +_reflns.pdbx_redundancy 20 +# +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.d_res_high 1.5 +_reflns_shell.d_res_low 1.54 +_reflns_shell.percent_possible_all 100 +_reflns_shell.Rmerge_I_obs 0.66 +_reflns_shell.pdbx_Rsym_value . +_reflns_shell.meanI_over_sigI_obs 5 +_reflns_shell.pdbx_redundancy 20 +# +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.entry_id 4CXL +_refine.pdbx_diffrn_id 1 +_refine.pdbx_TLS_residual_ADP_flag . +_refine.ls_number_reflns_obs 12441 +_refine.ls_number_reflns_all . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F . +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.ls_d_res_low 39.33 +_refine.ls_d_res_high 1.5 +_refine.ls_percent_reflns_obs 99.98 +_refine.ls_R_factor_obs 0.1683 +_refine.ls_R_factor_all . +_refine.ls_R_factor_R_work 0.16694 +_refine.ls_R_factor_R_free 0.19713 +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_percent_reflns_R_free 4.9 +_refine.ls_number_reflns_R_free 640 +_refine.ls_number_parameters . +_refine.ls_number_restraints . +_refine.occupancy_min . +_refine.occupancy_max . +_refine.correlation_coeff_Fo_to_Fc 0.975 +_refine.correlation_coeff_Fo_to_Fc_free 0.966 +_refine.B_iso_mean 26.337 +_refine.aniso_B[1][1] 0 +_refine.aniso_B[2][2] 0 +_refine.aniso_B[3][3] 0 +_refine.aniso_B[1][2] 0 +_refine.aniso_B[1][3] 0 +_refine.aniso_B[2][3] 0 +_refine.solvent_model_details MASK +_refine.solvent_model_param_ksol . +_refine.solvent_model_param_bsol . +_refine.pdbx_solvent_vdw_probe_radii 1.2 +_refine.pdbx_solvent_ion_probe_radii 0.8 +_refine.pdbx_solvent_shrinkage_radii 0.8 +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY. B30 THR IS NOT VISIBLE AND NOT MODELLED' +_refine.pdbx_starting_model 'PDB ENTRY 1MSO' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_R_Free_selection_details RANDOM +_refine.pdbx_overall_ESU_R 0.054 +_refine.pdbx_overall_ESU_R_Free 0.059 +_refine.overall_SU_ML 0.042 +_refine.pdbx_overall_phase_error . +_refine.overall_SU_B 1.132 +_refine.overall_SU_R_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 397 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 1 +_refine_hist.number_atoms_solvent 57 +_refine_hist.number_atoms_total 455 +_refine_hist.d_res_high 1.5 +_refine_hist.d_res_low 39.33 # loop_ +_refine_ls_restr.type +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.weight +_refine_ls_restr.number +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.pdbx_restraint_function +r_bond_refined_d 0.033 0.019 . 439 'X-RAY DIFFRACTION' . +r_bond_other_d 0.002 0.02 . 403 'X-RAY DIFFRACTION' . +r_angle_refined_deg 2.784 1.954 . 603 'X-RAY DIFFRACTION' . +r_angle_other_deg 1.191 3 . 933 'X-RAY DIFFRACTION' . +r_dihedral_angle_1_deg 6.593 5 . 57 'X-RAY DIFFRACTION' . +r_dihedral_angle_2_deg 42.958 24.5 . 20 'X-RAY DIFFRACTION' . +r_dihedral_angle_3_deg 14.203 15 . 72 'X-RAY DIFFRACTION' . +r_dihedral_angle_4_deg 37.422 15 . 1 'X-RAY DIFFRACTION' . +r_chiral_restr 0.188 0.2 . 67 'X-RAY DIFFRACTION' . +r_gen_planes_refined 0.013 0.02 . 504 'X-RAY DIFFRACTION' . +r_gen_planes_other 0.002 0.02 . 109 'X-RAY DIFFRACTION' . +r_nbd_refined . . . . 'X-RAY DIFFRACTION' . +r_nbd_other . . . . 'X-RAY DIFFRACTION' . +r_nbtor_refined . . . . 'X-RAY DIFFRACTION' . +r_nbtor_other . . . . 'X-RAY DIFFRACTION' . +r_xyhbond_nbd_refined . . . . 'X-RAY DIFFRACTION' . +r_xyhbond_nbd_other . . . . 'X-RAY DIFFRACTION' . +r_metal_ion_refined . . . . 'X-RAY DIFFRACTION' . +r_metal_ion_other . . . . 'X-RAY DIFFRACTION' . +r_symmetry_vdw_refined . . . . 'X-RAY DIFFRACTION' . +r_symmetry_vdw_other . . . . 'X-RAY DIFFRACTION' . +r_symmetry_hbond_refined . . . . 'X-RAY DIFFRACTION' . +r_symmetry_hbond_other . . . . 'X-RAY DIFFRACTION' . +r_symmetry_metal_ion_refined . . . . 'X-RAY DIFFRACTION' . +r_symmetry_metal_ion_other . . . . 'X-RAY DIFFRACTION' . +r_mcbond_it 3.066 2.275 . 211 'X-RAY DIFFRACTION' . +r_mcbond_other 2.96 2.254 . 210 'X-RAY DIFFRACTION' . +r_mcangle_it 4.444 3.372 . 263 'X-RAY DIFFRACTION' . +r_mcangle_other . . . . 'X-RAY DIFFRACTION' . +r_scbond_it 3.939 2.693 . 228 'X-RAY DIFFRACTION' . +r_scbond_other . . . . 'X-RAY DIFFRACTION' . +r_scangle_it . . . . 'X-RAY DIFFRACTION' . +r_scangle_other . . . . 'X-RAY DIFFRACTION' . +r_long_range_B_refined . . . . 'X-RAY DIFFRACTION' . +r_long_range_B_other . . . . 'X-RAY DIFFRACTION' . +r_rigid_bond_restr . . . . 'X-RAY DIFFRACTION' . +r_sphericity_free . . . . 'X-RAY DIFFRACTION' . +r_sphericity_bonded . . . . 'X-RAY DIFFRACTION' . +# +_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_ls_shell.pdbx_total_number_of_bins_used 20 +_refine_ls_shell.d_res_high 1.502 +_refine_ls_shell.d_res_low 1.541 +_refine_ls_shell.number_reflns_R_work 893 +_refine_ls_shell.R_factor_R_work 0.245 +_refine_ls_shell.percent_reflns_obs 100 +_refine_ls_shell.R_factor_R_free 0.237 +_refine_ls_shell.R_factor_R_free_error . +_refine_ls_shell.percent_reflns_R_free . +_refine_ls_shell.number_reflns_R_free 44 +_refine_ls_shell.number_reflns_all . +_refine_ls_shell.R_factor_all . +# +_struct.entry_id 4CXL +_struct.title 'Human insulin analogue (D-ProB8)-insulin' +_struct.pdbx_descriptor 'INSULIN A CHAIN, INSULIN B CHAIN' +# +_struct_keywords.entry_id 4CXL +_struct_keywords.text HORMONE,DIABETES +_struct_keywords.pdbx_keywords HORMONE +# +loop_ +_struct_asym.details +_struct_asym.entity_id _struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' -C N Y 3 'Might not contain all original atoms depending on the query used' -D N Y 4 'Might not contain all original atoms depending on the query used' -E N Y 4 'Might not contain all original atoms depending on the query used' +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N +? 3 C N N +? 4 D N N +? 4 E N N +# +_struct_biol.id 1 +# +loop_ +_struct_conf.conf_type_id +_struct_conf.id +_struct_conf.beg_label_comp_id +_struct_conf.beg_label_seq_id +_struct_conf.pdbx_beg_PDB_ins_code +_struct_conf.beg_label_asym_id +_struct_conf.beg_label_entity_id +_struct_conf.beg_auth_comp_id +_struct_conf.beg_auth_seq_id +_struct_conf.beg_auth_asym_id +_struct_conf.end_label_comp_id +_struct_conf.end_label_seq_id +_struct_conf.pdbx_end_PDB_ins_code +_struct_conf.end_label_asym_id +_struct_conf.end_label_entity_id +_struct_conf.end_auth_comp_id +_struct_conf.end_auth_seq_id +_struct_conf.end_auth_asym_id +_struct_conf.pdbx_PDB_helix_class +_struct_conf.details +_struct_conf.pdbx_PDB_helix_length +helx_p helx_p1 GLY 1 . A 1 GLY 1 A CYS 7 . A 1 CYS 7 A 1 ? 7 +helx_p helx_p2 SER 12 . A 1 SER 12 A ASN 18 . A 1 ASN 18 A 1 ? 7 +helx_p helx_p3 DPR 8 . B 2 DPR 8 B GLY 20 . B 2 GLY 20 B 1 ? 13 +helx_p helx_p4 GLU 21 . B 2 GLU 21 B GLY 23 . B 2 GLY 23 B 5 ? 3 +# +_struct_conf_type.id HELX_P +_struct_conf_type.criteria . +_struct_conf_type.reference . # loop_ -_struct_conn.id _struct_conn.conn_type_id -_struct_conn.pdbx_PDB_id +_struct_conn.details +_struct_conn.id _struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_atom_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id -_struct_conn.ptnr1_label_atom_id -_struct_conn.pdbx_ptnr1_label_alt_id -_struct_conn.pdbx_ptnr1_PDB_ins_code -_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_atom_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id -_struct_conn.ptnr2_label_atom_id -_struct_conn.pdbx_ptnr2_label_alt_id -_struct_conn.pdbx_ptnr2_PDB_ins_code -_struct_conn.ptnr1_auth_asym_id -_struct_conn.ptnr1_auth_comp_id -_struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_seq_id -_struct_conn.pdbx_ptnr3_label_alt_id -_struct_conn.pdbx_ptnr3_label_atom_id -_struct_conn.pdbx_ptnr3_PDB_ins_code -_struct_conn.details +_struct_conn.pdbx_PDB_id _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order -disulf1 disulf ? A CYS 6 SG ? ? ? 1_555 A CYS 11 SG ? ? A CYS 6 A CYS 11 1_555 ? ? ? ? ? ? ? 2.124 ? -disulf2 disulf ? A CYS 7 SG ? ? ? 1_555 B CYS 7 SG ? ? A CYS 7 B CYS 7 1_555 ? ? ? ? ? ? ? 1.956 ? -disulf3 disulf ? A CYS 20 SG ? ? ? 1_555 B CYS 19 SG ? ? A CYS 20 B CYS 19 1_555 ? ? ? ? ? ? ? 2.057 ? -covale1 covale ? B CYS 7 C ? ? ? 1_555 B DPR 8 N ? ? B CYS 7 B DPR 8 1_555 ? ? ? ? ? ? ? 1.271 ? -covale2 covale ? B DPR 8 C ? ? ? 1_555 B SER 9 N ? ? B DPR 8 B SER 9 1_555 ? ? ? ? ? ? ? 1.349 ? +disulf ? disulf1 A SG CYS 6 A CYS 6 1_555 A SG CYS 11 A CYS 11 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.124 ? +disulf ? disulf2 A SG CYS 7 A CYS 7 1_555 B SG CYS 7 B CYS 7 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.956 ? +disulf ? disulf3 A SG CYS 20 A CYS 20 1_555 B SG CYS 19 B CYS 19 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 2.057 ? +covale ? covale1 B C CYS 7 B CYS 7 1_555 B N DPR 8 B DPR 8 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.271 ? +covale ? covale2 B C DPR 8 B DPR 8 1_555 B N SER 9 B SER 9 1_555 ? ? ? ? ? ? ? ? ? ? ? ? 1.349 ? # loop_ -_struct_conn_type.id _struct_conn_type.criteria +_struct_conn_type.id _struct_conn_type.reference -disulf ? ? -covale ? ? +? disulf ? +? covale ? # -loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -ALA N 1 N N CA SING -ALA N 2 N N H SING -ALA N 3 N N H2 SING -ALA N 4 N CA C SING -ALA N 5 N CA CB SING -ALA N 6 N CA HA SING -ALA N 7 N C O DOUB -ALA N 8 N C OXT SING -ALA N 9 N CB HB1 SING -ALA N 10 N CB HB2 SING -ALA N 11 N CB HB3 SING -ALA N 12 N OXT HXT SING -ARG N 1 N N CA SING -ARG N 2 N N H SING -ARG N 3 N N H2 SING -ARG N 4 N CA C SING -ARG N 5 N CA CB SING -ARG N 6 N CA HA SING -ARG N 7 N C O DOUB -ARG N 8 N C OXT SING -ARG N 9 N CB CG SING -ARG N 10 N CB HB2 SING -ARG N 11 N CB HB3 SING -ARG N 12 N CG CD SING -ARG N 13 N CG HG2 SING -ARG N 14 N CG HG3 SING -ARG N 15 N CD NE SING -ARG N 16 N CD HD2 SING -ARG N 17 N CD HD3 SING -ARG N 18 N NE CZ SING -ARG N 19 N NE HE SING -ARG N 20 N CZ NH1 SING -ARG N 21 N CZ NH2 DOUB -ARG N 22 N NH1 HH11 SING -ARG N 23 N NH1 HH12 SING -ARG N 24 N NH2 HH21 SING -ARG N 25 N NH2 HH22 SING -ARG N 26 N OXT HXT SING -ASN N 1 N N CA SING -ASN N 2 N N H SING -ASN N 3 N N H2 SING -ASN N 4 N CA C SING -ASN N 5 N CA CB SING -ASN N 6 N CA HA SING -ASN N 7 N C O DOUB -ASN N 8 N C OXT SING -ASN N 9 N CB CG SING -ASN N 10 N CB HB2 SING -ASN N 11 N CB HB3 SING -ASN N 12 N CG OD1 DOUB -ASN N 13 N CG ND2 SING -ASN N 14 N ND2 HD21 SING -ASN N 15 N ND2 HD22 SING -ASN N 16 N OXT HXT SING -CYS N 1 N N CA SING -CYS N 2 N N H SING -CYS N 3 N N H2 SING -CYS N 4 N CA C SING -CYS N 5 N CA CB SING -CYS N 6 N CA HA SING -CYS N 7 N C O DOUB -CYS N 8 N C OXT SING -CYS N 9 N CB SG SING -CYS N 10 N CB HB2 SING -CYS N 11 N CB HB3 SING -CYS N 12 N SG HG SING -CYS N 13 N OXT HXT SING -DPR N 1 N N CA SING -DPR N 2 N N CD SING -DPR N 3 N N H SING -DPR N 4 N CA CB SING -DPR N 5 N CA C SING -DPR N 6 N CA HA SING -DPR N 7 N CB CG SING -DPR N 8 N CB HB2 SING -DPR N 9 N CB HB3 SING -DPR N 10 N CG CD SING -DPR N 11 N CG HG2 SING -DPR N 12 N CG HG3 SING -DPR N 13 N CD HD2 SING -DPR N 14 N CD HD3 SING -DPR N 15 N C O DOUB -DPR N 16 N C OXT SING -DPR N 17 N OXT HXT SING -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLU N 1 N N CA SING -GLU N 2 N N H SING -GLU N 3 N N H2 SING -GLU N 4 N CA C SING -GLU N 5 N CA CB SING -GLU N 6 N CA HA SING -GLU N 7 N C O DOUB -GLU N 8 N C OXT SING -GLU N 9 N CB CG SING -GLU N 10 N CB HB2 SING -GLU N 11 N CB HB3 SING -GLU N 12 N CG CD SING -GLU N 13 N CG HG2 SING -GLU N 14 N CG HG3 SING -GLU N 15 N CD OE1 DOUB -GLU N 16 N CD OE2 SING -GLU N 17 N OE2 HE2 SING -GLU N 18 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HIS N 1 N N CA SING -HIS N 2 N N H SING -HIS N 3 N N H2 SING -HIS N 4 N CA C SING -HIS N 5 N CA CB SING -HIS N 6 N CA HA SING -HIS N 7 N C O DOUB -HIS N 8 N C OXT SING -HIS N 9 N CB CG SING -HIS N 10 N CB HB2 SING -HIS N 11 N CB HB3 SING -HIS N 12 Y CG ND1 SING -HIS N 13 Y CG CD2 DOUB -HIS N 14 Y ND1 CE1 DOUB -HIS N 15 N ND1 HD1 SING -HIS N 16 Y CD2 NE2 SING -HIS N 17 N CD2 HD2 SING -HIS N 18 Y CE1 NE2 SING -HIS N 19 N CE1 HE1 SING -HIS N 20 N NE2 HE2 SING -HIS N 21 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING -LEU N 1 N N CA SING -LEU N 2 N N H SING -LEU N 3 N N H2 SING -LEU N 4 N CA C SING -LEU N 5 N CA CB SING -LEU N 6 N CA HA SING -LEU N 7 N C O DOUB -LEU N 8 N C OXT SING -LEU N 9 N CB CG SING -LEU N 10 N CB HB2 SING -LEU N 11 N CB HB3 SING -LEU N 12 N CG CD1 SING -LEU N 13 N CG CD2 SING -LEU N 14 N CG HG SING -LEU N 15 N CD1 HD11 SING -LEU N 16 N CD1 HD12 SING -LEU N 17 N CD1 HD13 SING -LEU N 18 N CD2 HD21 SING -LEU N 19 N CD2 HD22 SING -LEU N 20 N CD2 HD23 SING -LEU N 21 N OXT HXT SING -LYS N 1 N N CA SING -LYS N 2 N N H SING -LYS N 3 N N H2 SING -LYS N 4 N CA C SING -LYS N 5 N CA CB SING -LYS N 6 N CA HA SING -LYS N 7 N C O DOUB -LYS N 8 N C OXT SING -LYS N 9 N CB CG SING -LYS N 10 N CB HB2 SING -LYS N 11 N CB HB3 SING -LYS N 12 N CG CD SING -LYS N 13 N CG HG2 SING -LYS N 14 N CG HG3 SING -LYS N 15 N CD CE SING -LYS N 16 N CD HD2 SING -LYS N 17 N CD HD3 SING -LYS N 18 N CE NZ SING -LYS N 19 N CE HE2 SING -LYS N 20 N CE HE3 SING -LYS N 21 N NZ HZ1 SING -LYS N 22 N NZ HZ2 SING -LYS N 23 N NZ HZ3 SING -LYS N 24 N OXT HXT SING -PHE N 1 N N CA SING -PHE N 2 N N H SING -PHE N 3 N N H2 SING -PHE N 4 N CA C SING -PHE N 5 N CA CB SING -PHE N 6 N CA HA SING -PHE N 7 N C O DOUB -PHE N 8 N C OXT SING -PHE N 9 N CB CG SING -PHE N 10 N CB HB2 SING -PHE N 11 N CB HB3 SING -PHE N 12 Y CG CD1 DOUB -PHE N 13 Y CG CD2 SING -PHE N 14 Y CD1 CE1 SING -PHE N 15 N CD1 HD1 SING -PHE N 16 Y CD2 CE2 DOUB -PHE N 17 N CD2 HD2 SING -PHE N 18 Y CE1 CZ DOUB -PHE N 19 N CE1 HE1 SING -PHE N 20 Y CE2 CZ SING -PHE N 21 N CE2 HE2 SING -PHE N 22 N CZ HZ SING -PHE N 23 N OXT HXT SING -PRO N 1 N N CA SING -PRO N 2 N N CD SING -PRO N 3 N N H SING -PRO N 4 N CA C SING -PRO N 5 N CA CB SING -PRO N 6 N CA HA SING -PRO N 7 N C O DOUB -PRO N 8 N C OXT SING -PRO N 9 N CB CG SING -PRO N 10 N CB HB2 SING -PRO N 11 N CB HB3 SING -PRO N 12 N CG CD SING -PRO N 13 N CG HG2 SING -PRO N 14 N CG HG3 SING -PRO N 15 N CD HD2 SING -PRO N 16 N CD HD3 SING -PRO N 17 N OXT HXT SING -SER N 1 N N CA SING -SER N 2 N N H SING -SER N 3 N N H2 SING -SER N 4 N CA C SING -SER N 5 N CA CB SING -SER N 6 N CA HA SING -SER N 7 N C O DOUB -SER N 8 N C OXT SING -SER N 9 N CB OG SING -SER N 10 N CB HB2 SING -SER N 11 N CB HB3 SING -SER N 12 N OG HG SING -SER N 13 N OXT HXT SING -THR N 1 N N CA SING -THR N 2 N N H SING -THR N 3 N N H2 SING -THR N 4 N CA C SING -THR N 5 N CA CB SING -THR N 6 N CA HA SING -THR N 7 N C O DOUB -THR N 8 N C OXT SING -THR N 9 N CB OG1 SING -THR N 10 N CB CG2 SING -THR N 11 N CB HB SING -THR N 12 N OG1 HG1 SING -THR N 13 N CG2 HG21 SING -THR N 14 N CG2 HG22 SING -THR N 15 N CG2 HG23 SING -THR N 16 N OXT HXT SING -TYR N 1 N N CA SING -TYR N 2 N N H SING -TYR N 3 N N H2 SING -TYR N 4 N CA C SING -TYR N 5 N CA CB SING -TYR N 6 N CA HA SING -TYR N 7 N C O DOUB -TYR N 8 N C OXT SING -TYR N 9 N CB CG SING -TYR N 10 N CB HB2 SING -TYR N 11 N CB HB3 SING -TYR N 12 Y CG CD1 DOUB -TYR N 13 Y CG CD2 SING -TYR N 14 Y CD1 CE1 SING -TYR N 15 N CD1 HD1 SING -TYR N 16 Y CD2 CE2 DOUB -TYR N 17 N CD2 HD2 SING -TYR N 18 Y CE1 CZ DOUB -TYR N 19 N CE1 HE1 SING -TYR N 20 Y CE2 CZ SING -TYR N 21 N CE2 HE2 SING -TYR N 22 N CZ OH SING -TYR N 23 N OH HH SING -TYR N 24 N OXT HXT SING -VAL N 1 N N CA SING -VAL N 2 N N H SING -VAL N 3 N N H2 SING -VAL N 4 N CA C SING -VAL N 5 N CA CB SING -VAL N 6 N CA HA SING -VAL N 7 N C O DOUB -VAL N 8 N C OXT SING -VAL N 9 N CB CG1 SING -VAL N 10 N CB CG2 SING -VAL N 11 N CB HB SING -VAL N 12 N CG1 HG11 SING -VAL N 13 N CG1 HG12 SING -VAL N 14 N CG1 HG13 SING -VAL N 15 N CG2 HG21 SING -VAL N 16 N CG2 HG22 SING -VAL N 17 N CG2 HG23 SING -VAL N 18 N OXT HXT SING +_database_PDB_matrix.entry_id 4CXL +_database_PDB_matrix.origx[1][1] 1 +_database_PDB_matrix.origx[1][2] 0 +_database_PDB_matrix.origx[1][3] 0 +_database_PDB_matrix.origx[2][1] 0 +_database_PDB_matrix.origx[2][2] 1 +_database_PDB_matrix.origx[2][3] 0 +_database_PDB_matrix.origx[3][1] 0 +_database_PDB_matrix.origx[3][2] 0 +_database_PDB_matrix.origx[3][3] 1 +_database_PDB_matrix.origx_vector[1] 0 +_database_PDB_matrix.origx_vector[2] 0 +_database_PDB_matrix.origx_vector[3] 0 # _atom_sites.entry_id 4CXL _atom_sites.fract_transf_matrix[1][1] 0.012713 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.012713 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.012713 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # loop_ -_pdbx_nonpoly_scheme.asym_id -_pdbx_nonpoly_scheme.entity_id -_pdbx_nonpoly_scheme.mon_id -_pdbx_nonpoly_scheme.ndb_seq_num -_pdbx_nonpoly_scheme.pdb_seq_num -_pdbx_nonpoly_scheme.auth_seq_num -_pdbx_nonpoly_scheme.pdb_mon_id -_pdbx_nonpoly_scheme.auth_mon_id -_pdbx_nonpoly_scheme.pdb_strand_id -_pdbx_nonpoly_scheme.pdb_ins_code -C 3 CL 1 1001 1001 CL CL B . -D 4 HOH 1 2001 2001 HOH HOH A . -D 4 HOH 2 2002 2002 HOH HOH A . -D 4 HOH 3 2003 2003 HOH HOH A . -D 4 HOH 4 2004 2004 HOH HOH A . -D 4 HOH 5 2005 2005 HOH HOH A . -D 4 HOH 6 2006 2006 HOH HOH A . -D 4 HOH 7 2007 2007 HOH HOH A . -D 4 HOH 8 2008 2008 HOH HOH A . -D 4 HOH 9 2009 2009 HOH HOH A . -D 4 HOH 10 2010 2010 HOH HOH A . -D 4 HOH 11 2011 2011 HOH HOH A . -D 4 HOH 12 2012 2012 HOH HOH A . -D 4 HOH 13 2013 2013 HOH HOH A . -D 4 HOH 14 2014 2014 HOH HOH A . -D 4 HOH 15 2015 2015 HOH HOH A . -D 4 HOH 16 2016 2016 HOH HOH A . -D 4 HOH 17 2017 2017 HOH HOH A . -D 4 HOH 18 2018 2018 HOH HOH A . -D 4 HOH 19 2019 2019 HOH HOH A . -D 4 HOH 20 2020 2020 HOH HOH A . -D 4 HOH 21 2021 2021 HOH HOH A . -D 4 HOH 22 2022 2022 HOH HOH A . -D 4 HOH 23 2023 2023 HOH HOH A . -D 4 HOH 24 2024 2024 HOH HOH A . -D 4 HOH 25 2025 2025 HOH HOH A . -D 4 HOH 26 2026 2026 HOH HOH A . -D 4 HOH 27 2027 2027 HOH HOH A . -D 4 HOH 28 2028 2028 HOH HOH A . -D 4 HOH 29 2029 2029 HOH HOH A . -D 4 HOH 30 2030 2030 HOH HOH A . -D 4 HOH 31 2031 2031 HOH HOH A . -D 4 HOH 32 2032 2032 HOH HOH A . -D 4 HOH 33 2033 2033 HOH HOH A . -E 4 HOH 1 2001 2001 HOH HOH B . -E 4 HOH 2 2002 2002 HOH HOH B . -E 4 HOH 3 2003 2003 HOH HOH B . -E 4 HOH 4 2004 2004 HOH HOH B . -E 4 HOH 5 2005 2005 HOH HOH B . -E 4 HOH 6 2006 2006 HOH HOH B . -E 4 HOH 7 2007 2007 HOH HOH B . -E 4 HOH 8 2008 2008 HOH HOH B . -E 4 HOH 9 2009 2009 HOH HOH B . -E 4 HOH 10 2010 2010 HOH HOH B . -E 4 HOH 11 2011 2011 HOH HOH B . -E 4 HOH 12 2012 2012 HOH HOH B . -E 4 HOH 13 2013 2013 HOH HOH B . -E 4 HOH 14 2014 2014 HOH HOH B . -E 4 HOH 15 2015 2015 HOH HOH B . -E 4 HOH 16 2016 2016 HOH HOH B . -E 4 HOH 17 2017 2017 HOH HOH B . -E 4 HOH 18 2018 2018 HOH HOH B . -E 4 HOH 19 2019 2019 HOH HOH B . -E 4 HOH 20 2020 2020 HOH HOH B . -E 4 HOH 21 2021 2021 HOH HOH B . -E 4 HOH 22 2022 2022 HOH HOH B . -E 4 HOH 23 2023 2023 HOH HOH B . -E 4 HOH 24 2024 2024 HOH HOH B . +_atom_type.symbol +C +CL +N +O +S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -687,493 +624,842 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . GLY A 1 1 . -13.933 8.292 7.362 1.00 40.66 ? N GLY A 1 1 -ATOM 2 C CA . GLY A 1 1 . -13.909 6.998 8.119 1.00 36.77 ? CA GLY A 1 1 -ATOM 3 C C . GLY A 1 1 . -15.338 6.439 8.015 1.00 33.64 ? C GLY A 1 1 -ATOM 4 O O . GLY A 1 1 . -16.062 6.662 7.020 1.00 28.92 ? O GLY A 1 1 -ATOM 5 N N . ILE A 1 2 . -15.760 5.766 9.067 1.00 27.55 ? N ILE A 2 1 -ATOM 6 C CA . ILE A 1 2 . -16.959 4.952 8.960 1.00 25.01 ? CA ILE A 2 1 -ATOM 7 C C . ILE A 1 2 . -18.162 5.736 8.609 1.00 22.85 ? C ILE A 2 1 -ATOM 8 O O . ILE A 1 2 . -19.125 5.291 7.998 1.00 20.97 ? O ILE A 2 1 -ATOM 9 C CB . ILE A 1 2 . -17.150 4.060 10.176 1.00 25.01 ? CB ILE A 2 1 -ATOM 10 C CG1 . ILE A 1 2 . -18.149 2.962 9.904 1.00 22.85 ? CG1 ILE A 2 1 -ATOM 11 C CG2 . ILE A 1 2 . -17.536 4.888 11.466 1.00 26.22 ? CG2 ILE A 2 1 -ATOM 12 C CD1 . ILE A 1 2 . -18.352 2.025 11.050 1.00 24.5 ? CD1 ILE A 2 1 -ATOM 13 N N . VAL A 1 3 . -18.286 6.951 9.146 1.00 26.89 ? N VAL A 3 1 -ATOM 14 C CA . VAL A 1 3 . -19.458 7.708 8.897 1.00 24.16 ? CA VAL A 3 1 -ATOM 15 C C . VAL A 1 3 . -19.611 8.122 7.383 1.00 23.79 ? C VAL A 3 1 -ATOM 16 O O . VAL A 1 3 . -20.755 8.061 6.820 1.00 24.32 ? O VAL A 3 1 -ATOM 17 C CB . VAL A 1 3 . -19.478 8.958 9.856 1.00 29.35 ? CB VAL A 3 1 -ATOM 18 C CG1 . VAL A 1 3 . -20.577 9.875 9.409 1.00 31.54 ? CG1 VAL A 3 1 -ATOM 19 C CG2 . VAL A 1 3 . -19.760 8.524 11.289 1.00 29.06 ? CG2 VAL A 3 1 -ATOM 20 N N . GLU A 1 4 . -18.465 8.534 6.868 1.00 30.65 ? N GLU A 4 1 -ATOM 21 C CA . GLU A 1 4 . -18.405 8.853 5.381 1.00 33.57 ? CA GLU A 4 1 -ATOM 22 C C . GLU A 1 4 . -18.766 7.664 4.552 1.00 29.07 ? C GLU A 4 1 -ATOM 23 O O . GLU A 1 4 . -19.569 7.794 3.578 1.00 31.58 ? O GLU A 4 1 -ATOM 24 C CB . GLU A 1 4 . -17.059 9.450 4.998 1.00 36.82 ? CB GLU A 4 1 -ATOM 25 C CG . GLU A 1 4 . -16.890 10.791 5.758 1.00 44.99 ? CG GLU A 4 1 -ATOM 26 C CD . GLU A 1 4 . -16.675 10.684 7.316 1.00 41.81 ? CD GLU A 4 1 -ATOM 27 O OE1 . GLU A 1 4 . -15.919 9.761 7.859 1.00 39.47 ? OE1 GLU A 4 1 -ATOM 28 O OE2 . GLU A 1 4 . -17.210 11.637 7.934 1.00 56.85 ? OE2 GLU A 4 1 -ATOM 29 N N . GLN A 1 5 . -18.257 6.503 4.935 1.00 24.65 ? N GLN A 5 1 -ATOM 30 C CA . GLN A 1 5 . -18.494 5.271 4.175 1.00 22.55 ? CA GLN A 5 1 -ATOM 31 C C . GLN A 1 5 . -19.832 4.621 4.279 1.00 27.93 ? C GLN A 5 1 -ATOM 32 O O . GLN A 1 5 . -20.335 3.962 3.398 1.00 25.49 ? O GLN A 5 1 -ATOM 33 C CB . GLN A 1 5 . -17.432 4.275 4.468 1.00 23.08 ? CB GLN A 5 1 -ATOM 34 C CG . GLN A 1 5 . -15.976 4.791 4.244 1.00 28.37 ? CG GLN A 5 1 -ATOM 35 C CD . GLN A 1 5 . -15.697 5.473 2.847 1.00 32.3 ? CD GLN A 5 1 -ATOM 36 O OE1 . GLN A 1 5 . -14.987 6.513 2.760 1.00 37.81 ? OE1 GLN A 5 1 -ATOM 37 N NE2 . GLN A 1 5 . -16.403 5.019 1.822 1.00 24.96 ? NE2 GLN A 5 1 -ATOM 38 N N . CYS A 1 6 . -20.463 4.713 5.501 1.00 20.69 ? N CYS A 6 1 -ATOM 39 C CA . CYS A 1 6 . -21.625 3.952 5.766 1.00 19.96 ? CA CYS A 6 1 -ATOM 40 C C . CYS A 1 6 . -22.916 4.731 6.058 1.00 17.67 ? C CYS A 6 1 -ATOM 41 O O . CYS A 1 6 . -23.990 4.210 5.979 1.00 19.23 ? O CYS A 6 1 -ATOM 42 C CB . CYS A 1 6 . -21.379 3.031 7.018 1.00 19.84 ? CB CYS A 6 1 -ATOM 43 S SG . CYS A 1 6 . -20.414 1.598 6.484 1.00 22.62 ? SG CYS A 6 1 -ATOM 44 N N . CYS A 1 7 . -22.790 6.061 6.392 1.00 21.67 ? N CYS A 7 1 -ATOM 45 C CA . CYS A 1 7 . -23.920 6.950 6.648 1.00 21.46 ? CA CYS A 7 1 -ATOM 46 C C . CYS A 1 7 . -24.186 7.961 5.476 1.00 21.17 ? C CYS A 7 1 -ATOM 47 O O . CYS A 1 7 . -25.290 7.998 5.024 1.00 24.03 ? O CYS A 7 1 -ATOM 48 C CB . CYS A 1 7 . -23.633 7.652 7.976 1.00 24.29 ? CB CYS A 7 1 -ATOM 49 S SG . CYS A 1 7 . -24.757 9.060 8.383 1.00 27.67 ? SG CYS A 7 1 -ATOM 50 N N . THR A 1 8 . -23.103 8.710 5.146 1.00 24.18 ? N THR A 8 1 -ATOM 51 C CA . THR A 1 8 . -23.163 9.700 4.037 1.00 28.03 ? CA THR A 8 1 -ATOM 52 C C . THR A 1 8 . -23.197 8.929 2.682 1.00 28.99 ? C THR A 8 1 -ATOM 53 O O . THR A 1 8 . -23.749 9.436 1.727 1.00 34.94 ? O THR A 8 1 -ATOM 54 C CB . THR A 1 8 . -22.136 10.822 4.205 1.00 26.47 ? CB THR A 8 1 -ATOM 55 O OG1 . THR A 1 8 . -20.864 10.392 4.104 1.00 36.66 ? OG1 THR A 8 1 -ATOM 56 C CG2 . THR A 1 8 . -22.201 11.395 5.549 1.00 35.02 ? CG2 THR A 8 1 -ATOM 57 N N . SER A 1 9 . -22.619 7.731 2.622 1.00 26.84 ? N SER A 9 1 -ATOM 58 C CA A SER A 1 9 . -22.719 6.822 1.461 0.50 24.85 ? CA SER A 9 1 -ATOM 59 C CA B SER A 1 9 . -22.818 6.836 1.463 0.50 22.96 ? CA SER A 9 1 -ATOM 60 C C . SER A 1 9 . -23.250 5.455 1.902 1.00 23.35 ? C SER A 9 1 -ATOM 61 O O . SER A 1 9 . -23.388 5.214 3.128 1.00 22.04 ? O SER A 9 1 -ATOM 62 C CB A SER A 1 9 . -21.322 6.591 0.867 0.50 25.76 ? CB SER A 9 1 -ATOM 63 C CB B SER A 1 9 . -21.513 6.741 0.678 0.50 23.33 ? CB SER A 9 1 -ATOM 64 O OG A SER A 1 9 . -20.515 7.760 0.828 0.50 28.02 ? OG SER A 9 1 -ATOM 65 O OG B SER A 1 9 . -20.442 6.129 1.407 0.50 20.01 ? OG SER A 9 1 -ATOM 66 N N . ILE A 1 10 . -23.486 4.529 0.997 1.00 21.68 ? N ILE A 10 1 -ATOM 67 C CA . ILE A 1 10 . -24.095 3.252 1.302 1.00 21.58 ? CA ILE A 10 1 -ATOM 68 C C . ILE A 1 10 . -23.033 2.273 1.877 1.00 21.01 ? C ILE A 10 1 -ATOM 69 O O . ILE A 1 10 . -21.954 2.118 1.364 1.00 20.75 ? O ILE A 10 1 -ATOM 70 C CB . ILE A 1 10 . -24.779 2.622 0.049 1.00 22.25 ? CB ILE A 10 1 -ATOM 71 C CG1 . ILE A 1 10 . -25.949 3.521 -0.379 1.00 22.6 ? CG1 ILE A 10 1 -ATOM 72 C CG2 . ILE A 1 10 . -25.343 1.278 0.304 1.00 25.14 ? CG2 ILE A 10 1 -ATOM 73 C CD1 . ILE A 1 10 . -26.447 3.251 -1.765 1.00 31.71 ? CD1 ILE A 10 1 -ATOM 74 N N . CYS A 1 11 . -23.358 1.703 3.048 1.00 20.09 ? N CYS A 11 1 -ATOM 75 C CA . CYS A 1 11 . -22.538 0.741 3.658 1.00 19.51 ? CA CYS A 11 1 -ATOM 76 C C . CYS A 1 11 . -22.376 -0.584 2.952 1.00 21.87 ? C CYS A 11 1 -ATOM 77 O O . CYS A 1 11 . -23.061 -0.802 1.980 1.00 24.02 ? O CYS A 11 1 -ATOM 78 C CB . CYS A 1 11 . -23.093 0.596 5.088 1.00 19.48 ? CB CYS A 11 1 -ATOM 79 S SG . CYS A 1 11 . -21.876 0.059 6.406 1.00 22.91 ? SG CYS A 11 1 -ATOM 80 N N . SER A 1 12 . -21.426 -1.398 3.420 1.00 22.17 ? N SER A 12 1 -ATOM 81 C CA . SER A 1 12 . -21.180 -2.771 2.902 1.00 22.74 ? CA SER A 12 1 -ATOM 82 C C . SER A 1 12 . -20.757 -3.626 4.082 1.00 19.5 ? C SER A 12 1 -ATOM 83 O O . SER A 1 12 . -20.097 -3.159 5.051 1.00 19.44 ? O SER A 12 1 -ATOM 84 C CB . SER A 1 12 . -20.094 -2.784 1.859 1.00 21.82 ? CB SER A 12 1 -ATOM 85 O OG . SER A 1 12 . -18.754 -2.567 2.267 1.00 22.5 ? OG SER A 12 1 -ATOM 86 N N . LEU A 1 13 . -20.963 -4.928 3.919 1.00 19.45 ? N LEU A 13 1 -ATOM 87 C CA . LEU A 1 13 . -20.472 -5.930 4.905 1.00 18.36 ? CA LEU A 13 1 -ATOM 88 C C . LEU A 1 13 . -19.008 -5.923 5.002 1.00 19.42 ? C LEU A 13 1 -ATOM 89 O O . LEU A 1 13 . -18.357 -5.990 6.057 1.00 18.22 ? O LEU A 13 1 -ATOM 90 C CB . LEU A 1 13 . -21.012 -7.290 4.619 1.00 18.09 ? CB LEU A 13 1 -ATOM 91 C CG . LEU A 1 13 . -20.602 -8.393 5.569 1.00 17.53 ? CG LEU A 13 1 -ATOM 92 C CD1 . LEU A 1 13 . -21.077 -8.162 7.011 1.00 17.51 ? CD1 LEU A 13 1 -ATOM 93 C CD2 . LEU A 1 13 . -21.124 -9.705 5.011 1.00 16.76 ? CD2 LEU A 13 1 -ATOM 94 N N . TYR A 1 14 . -18.325 -5.800 3.832 1.00 19.49 ? N TYR A 14 1 -ATOM 95 C CA . TYR A 1 14 . -16.953 -5.742 3.741 1.00 20.91 ? CA TYR A 14 1 -ATOM 96 C C . TYR A 1 14 . -16.328 -4.676 4.657 1.00 20.35 ? C TYR A 14 1 -ATOM 97 O O . TYR A 1 14 . -15.366 -4.875 5.364 1.00 22.94 ? O TYR A 14 1 -ATOM 98 C CB . TYR A 1 14 . -16.639 -5.456 2.197 1.00 26.2 ? CB TYR A 14 1 -ATOM 99 C CG . TYR A 1 14 . -15.208 -5.456 1.977 1.00 25.47 ? CG TYR A 14 1 -ATOM 100 C CD1 . TYR A 1 14 . -14.364 -4.368 2.361 1.00 27.67 ? CD1 TYR A 14 1 -ATOM 101 C CD2 . TYR A 1 14 . -14.623 -6.596 1.509 1.00 28.26 ? CD2 TYR A 14 1 -ATOM 102 C CE1 . TYR A 1 14 . -13.004 -4.386 2.218 1.00 32.31 ? CE1 TYR A 14 1 -ATOM 103 C CE2 . TYR A 1 14 . -13.227 -6.638 1.337 1.00 29.33 ? CE2 TYR A 14 1 -ATOM 104 C CZ . TYR A 1 14 . -12.432 -5.558 1.750 1.00 29.08 ? CZ TYR A 14 1 -ATOM 105 O OH . TYR A 1 14 . -11.062 -5.599 1.565 1.00 38.4 ? OH TYR A 14 1 -ATOM 106 N N A GLN A 1 15 . -16.892 -3.469 4.544 0.50 20.48 ? N GLN A 15 1 -ATOM 107 N N B GLN A 1 15 . -16.975 -3.490 4.550 0.50 21.8 ? N GLN A 15 1 -ATOM 108 C CA A GLN A 1 15 . -16.359 -2.409 5.348 0.50 18.8 ? CA GLN A 15 1 -ATOM 109 C CA B GLN A 1 15 . -16.642 -2.266 5.296 0.50 22.18 ? CA GLN A 15 1 -ATOM 110 C C A GLN A 1 15 . -16.743 -2.585 6.822 0.50 15.73 ? C GLN A 15 1 -ATOM 111 C C B GLN A 1 15 . -16.912 -2.317 6.825 0.50 19.08 ? C GLN A 15 1 -ATOM 112 O O A GLN A 1 15 . -15.835 -2.404 7.614 0.50 17.63 ? O GLN A 15 1 -ATOM 113 O O B GLN A 1 15 . -16.263 -1.681 7.659 0.50 18.99 ? O GLN A 15 1 -ATOM 114 C CB A GLN A 1 15 . -16.787 -1.001 4.855 0.50 18.91 ? CB GLN A 15 1 -ATOM 115 C CB B GLN A 1 15 . -17.457 -1.089 4.706 0.50 23.62 ? CB GLN A 15 1 -ATOM 116 C CG A GLN A 1 15 . -16.278 -0.713 3.434 0.50 20.06 ? CG GLN A 15 1 -ATOM 117 C CG B GLN A 1 15 . -16.888 -0.606 3.342 0.50 28.03 ? CG GLN A 15 1 -ATOM 118 C CD A GLN A 1 15 . -16.613 0.692 2.972 0.50 19.71 ? CD GLN A 15 1 -ATOM 119 C CD B GLN A 1 15 . -15.463 -0.159 3.496 0.50 29.77 ? CD GLN A 15 1 -ATOM 120 O OE1 A GLN A 1 15 . -15.933 1.697 3.388 0.50 21.62 ? OE1 GLN A 15 1 -ATOM 121 O OE1 B GLN A 1 15 . -15.188 0.558 4.473 0.50 36.52 ? OE1 GLN A 15 1 -ATOM 122 N NE2 A GLN A 1 15 . -17.628 0.829 2.161 0.50 18.57 ? NE2 GLN A 15 1 -ATOM 123 N NE2 B GLN A 1 15 . -14.515 -0.628 2.613 0.50 33.05 ? NE2 GLN A 15 1 -ATOM 124 N N . LEU A 1 16 . -18.035 -2.917 7.115 1.00 18.3 ? N LEU A 16 1 -ATOM 125 C CA . LEU A 1 16 . -18.328 -3.119 8.565 1.00 17.28 ? CA LEU A 16 1 -ATOM 126 C C . LEU A 1 16 . -17.361 -4.053 9.219 1.00 18.25 ? C LEU A 16 1 -ATOM 127 O O . LEU A 1 16 . -16.940 -3.833 10.380 1.00 17.78 ? O LEU A 16 1 -ATOM 128 C CB . LEU A 1 16 . -19.749 -3.496 8.765 1.00 17.28 ? CB LEU A 16 1 -ATOM 129 C CG . LEU A 1 16 . -20.808 -2.513 8.473 1.00 18.7 ? CG LEU A 16 1 -ATOM 130 C CD1 . LEU A 1 16 . -22.148 -3.160 8.462 1.00 21.26 ? CD1 LEU A 16 1 -ATOM 131 C CD2 . LEU A 1 16 . -20.804 -1.397 9.537 1.00 21.79 ? CD2 LEU A 16 1 -ATOM 132 N N . GLU A 1 17 . -17.001 -5.199 8.579 1.00 16.2 ? N GLU A 17 1 -ATOM 133 C CA . GLU A 1 17 . -16.153 -6.129 9.169 1.00 16.34 ? CA GLU A 17 1 -ATOM 134 C C . GLU A 1 17 . -14.712 -5.637 9.485 1.00 16.77 ? C GLU A 17 1 -ATOM 135 O O . GLU A 1 17 . -14.071 -6.200 10.401 1.00 20.87 ? O GLU A 17 1 -ATOM 136 C CB . GLU A 1 17 . -16.102 -7.515 8.412 1.00 18.18 ? CB GLU A 17 1 -ATOM 137 C CG . GLU A 1 17 . -17.343 -8.285 8.549 1.00 17.72 ? CG GLU A 17 1 -ATOM 138 C CD . GLU A 1 17 . -17.246 -9.735 8.216 1.00 19.29 ? CD GLU A 17 1 -ATOM 139 O OE1 . GLU A 1 17 . -16.265 -10.191 7.587 1.00 19.71 ? OE1 GLU A 17 1 -ATOM 140 O OE2 . GLU A 1 17 . -18.138 -10.536 8.558 1.00 18.44 ? OE2 GLU A 17 1 -ATOM 141 N N . ASN A 1 18 . -14.358 -4.613 8.768 1.00 18.59 ? N ASN A 18 1 -ATOM 142 C CA . ASN A 1 18 . -13.064 -3.995 9.045 1.00 20.01 ? CA ASN A 18 1 -ATOM 143 C C . ASN A 1 18 . -13.014 -3.396 10.447 1.00 21.85 ? C ASN A 18 1 -ATOM 144 O O . ASN A 1 18 . -11.922 -3.175 10.966 1.00 25.24 ? O ASN A 18 1 -ATOM 145 C CB . ASN A 1 18 . -12.729 -2.931 8.076 1.00 24.35 ? CB ASN A 18 1 -ATOM 146 C CG . ASN A 1 18 . -12.174 -3.488 6.750 1.00 29.37 ? CG ASN A 18 1 -ATOM 147 O OD1 . ASN A 1 18 . -11.645 -4.602 6.709 1.00 29.64 ? OD1 ASN A 18 1 -ATOM 148 N ND2 . ASN A 1 18 . -12.390 -2.766 5.770 1.00 30.51 ? ND2 ASN A 18 1 -ATOM 149 N N . TYR A 1 19 . -14.176 -3.086 11.027 1.00 19.17 ? N TYR A 19 1 -ATOM 150 C CA . TYR A 1 19 . -14.242 -2.513 12.399 1.00 22.03 ? CA TYR A 19 1 -ATOM 151 C C . TYR A 1 19 . -14.505 -3.541 13.452 1.00 18.85 ? C TYR A 19 1 -ATOM 152 O O . TYR A 1 19 . -14.563 -3.170 14.677 1.00 22.53 ? O TYR A 19 1 -ATOM 153 C CB . TYR A 1 19 . -15.224 -1.355 12.414 1.00 16.02 ? CB TYR A 19 1 -ATOM 154 C CG . TYR A 1 19 . -14.925 -0.240 11.534 1.00 21.6 ? CG TYR A 19 1 -ATOM 155 C CD1 . TYR A 1 19 . -13.945 0.695 11.905 1.00 24.79 ? CD1 TYR A 19 1 -ATOM 156 C CD2 . TYR A 1 19 . -15.409 -0.230 10.240 1.00 24.2 ? CD2 TYR A 19 1 -ATOM 157 C CE1 . TYR A 1 19 . -13.613 1.666 11.022 1.00 28.99 ? CE1 TYR A 19 1 -ATOM 158 C CE2 . TYR A 1 19 . -15.011 0.756 9.339 1.00 25.55 ? CE2 TYR A 19 1 -ATOM 159 C CZ . TYR A 1 19 . -14.113 1.686 9.801 1.00 26.71 ? CZ TYR A 19 1 -ATOM 160 O OH . TYR A 1 19 . -13.679 2.736 8.993 1.00 37.55 ? OH TYR A 19 1 -ATOM 161 N N . CYS A 1 20 . -14.644 -4.866 13.218 1.00 18.92 ? N CYS A 20 1 -ATOM 162 C CA . CYS A 1 20 . -14.758 -5.871 14.196 1.00 19.59 ? CA CYS A 20 1 -ATOM 163 C C . CYS A 1 20 . -13.373 -6.110 14.819 1.00 24.37 ? C CYS A 20 1 -ATOM 164 O O . CYS A 1 20 . -12.310 -5.913 14.152 1.00 25.1 ? O CYS A 20 1 -ATOM 165 C CB . CYS A 1 20 . -15.251 -7.134 13.572 1.00 21.77 ? CB CYS A 20 1 -ATOM 166 S SG . CYS A 1 20 . -16.780 -7.148 12.791 1.00 19.5 ? SG CYS A 20 1 -ATOM 167 N N . ASN A 1 21 . -13.350 -6.435 16.109 1.00 25.53 ? N ASN A 21 1 -ATOM 168 C CA . ASN A 1 21 . -12.078 -6.782 16.762 1.00 29.23 ? CA ASN A 21 1 -ATOM 169 C C . ASN A 1 21 . -11.669 -8.192 16.221 1.00 33.18 ? C ASN A 21 1 -ATOM 170 O O . ASN A 1 21 . -12.490 -9.019 15.696 1.00 31.89 ? O ASN A 21 1 -ATOM 171 C CB . ASN A 1 21 . -12.241 -6.781 18.324 1.00 28.3 ? CB ASN A 21 1 -ATOM 172 C CG . ASN A 1 21 . -12.539 -5.443 18.881 1.00 25.98 ? CG ASN A 21 1 -ATOM 173 O OD1 . ASN A 1 21 . -12.008 -4.443 18.514 1.00 30.1 ? OD1 ASN A 21 1 -ATOM 174 N ND2 . ASN A 1 21 . -13.524 -5.434 19.797 1.00 26.16 ? ND2 ASN A 21 1 -ATOM 175 O OXT . ASN A 1 21 . -10.505 -8.485 16.513 1.00 41.51 ? OXT ASN A 21 1 -ATOM 176 N N . PHE B 2 1 . -29.772 -5.780 5.834 1.00 38.71 ? N PHE B 1 1 -ATOM 177 C CA . PHE B 2 1 . -29.805 -4.649 6.773 1.00 39.79 ? CA PHE B 1 1 -ATOM 178 C C . PHE B 2 1 . -28.498 -3.904 6.503 1.00 26.85 ? C PHE B 1 1 -ATOM 179 O O . PHE B 2 1 . -28.444 -2.691 6.896 1.00 37.19 ? O PHE B 1 1 -ATOM 180 C CB . PHE B 2 1 . -29.994 -5.044 8.323 1.00 43.34 ? CB PHE B 1 1 -ATOM 181 C CG . PHE B 2 1 . -28.966 -6.025 8.871 1.00 38.87 ? CG PHE B 1 1 -ATOM 182 C CD1 . PHE B 2 1 . -28.952 -7.354 8.504 1.00 46.54 ? CD1 PHE B 1 1 -ATOM 183 C CD2 . PHE B 2 1 . -28.008 -5.601 9.707 1.00 41.03 ? CD2 PHE B 1 1 -ATOM 184 C CE1 . PHE B 2 1 . -28.000 -8.247 8.968 1.00 42.83 ? CE1 PHE B 1 1 -ATOM 185 C CE2 . PHE B 2 1 . -27.058 -6.494 10.176 1.00 35.35 ? CE2 PHE B 1 1 -ATOM 186 C CZ . PHE B 2 1 . -27.051 -7.786 9.826 1.00 37.65 ? CZ PHE B 1 1 -ATOM 187 N N . VAL B 2 2 . -27.443 -4.520 5.880 1.00 26.07 ? N VAL B 2 1 -ATOM 188 C CA . VAL B 2 2 . -26.184 -3.749 5.860 1.00 24.37 ? CA VAL B 2 1 -ATOM 189 C C . VAL B 2 2 . -25.927 -2.842 4.641 1.00 26.34 ? C VAL B 2 1 -ATOM 190 O O . VAL B 2 2 . -25.167 -1.898 4.716 1.00 23.8 ? O VAL B 2 1 -ATOM 191 C CB . VAL B 2 2 . -24.920 -4.525 6.120 1.00 25.6 ? CB VAL B 2 1 -ATOM 192 C CG1 . VAL B 2 2 . -25.055 -5.372 7.435 1.00 25.82 ? CG1 VAL B 2 1 -ATOM 193 C CG2 . VAL B 2 2 . -24.596 -5.467 5.001 1.00 33.14 ? CG2 VAL B 2 1 -ATOM 194 N N . ASN B 2 3 . -26.684 -3.084 3.558 1.00 25.81 ? N ASN B 3 1 -ATOM 195 C CA . ASN B 2 3 . -26.338 -2.440 2.294 1.00 28.23 ? CA ASN B 3 1 -ATOM 196 C C . ASN B 2 3 . -27.246 -1.237 2.066 1.00 30.5 ? C ASN B 3 1 -ATOM 197 O O . ASN B 2 3 . -28.067 -1.155 1.198 1.00 33.05 ? O ASN B 3 1 -ATOM 198 C CB . ASN B 2 3 . -26.316 -3.440 1.090 1.00 26.28 ? CB ASN B 3 1 -ATOM 199 C CG . ASN B 2 3 . -25.259 -4.488 1.232 1.00 20.47 ? CG ASN B 3 1 -ATOM 200 O OD1 . ASN B 2 3 . -25.712 -5.700 1.580 1.00 33.2 ? OD1 ASN B 3 1 -ATOM 201 N ND2 . ASN B 2 3 . -24.095 -4.281 1.024 1.00 22.48 ? ND2 ASN B 3 1 -ATOM 202 N N . GLN B 2 4 . -27.135 -0.271 2.982 1.00 23.92 ? N GLN B 4 1 -ATOM 203 C CA . GLN B 2 4 . -27.941 0.932 2.997 1.00 23.43 ? CA GLN B 4 1 -ATOM 204 C C . GLN B 2 4 . -27.190 1.998 3.803 1.00 21.48 ? C GLN B 4 1 -ATOM 205 O O . GLN B 2 4 . -26.077 1.786 4.307 1.00 21.53 ? O GLN B 4 1 -ATOM 206 C CB . GLN B 2 4 . -29.307 0.683 3.574 1.00 30.39 ? CB GLN B 4 1 -ATOM 207 C CG . GLN B 2 4 . -29.202 0.204 5.027 1.00 32.69 ? CG GLN B 4 1 -ATOM 208 C CD . GLN B 2 4 . -30.545 -0.130 5.737 1.00 48.57 ? CD GLN B 4 1 -ATOM 209 O OE1 . GLN B 2 4 . -30.746 -1.235 6.299 1.00 49.07 ? OE1 GLN B 4 1 -ATOM 210 N NE2 . GLN B 2 4 . -31.422 0.842 5.796 1.00 45.24 ? NE2 GLN B 4 1 -ATOM 211 N N . HIS B 2 5 . -27.759 3.195 3.809 1.00 23.52 ? N HIS B 5 1 -ATOM 212 C CA . HIS B 2 5 . -27.222 4.304 4.663 1.00 21.49 ? CA HIS B 5 1 -ATOM 213 C C . HIS B 2 5 . -27.611 4.064 6.160 1.00 22.96 ? C HIS B 5 1 -ATOM 214 O O . HIS B 2 5 . -28.768 3.780 6.435 1.00 25.35 ? O HIS B 5 1 -ATOM 215 C CB . HIS B 2 5 . -27.910 5.614 4.298 1.00 24.06 ? CB HIS B 5 1 -ATOM 216 C CG . HIS B 2 5 . -27.660 6.097 2.874 1.00 25.52 ? CG HIS B 5 1 -ATOM 217 N ND1 . HIS B 2 5 . -26.571 6.838 2.541 1.00 29.29 ? ND1 HIS B 5 1 -ATOM 218 C CD2 . HIS B 2 5 . -28.345 5.886 1.738 1.00 29.95 ? CD2 HIS B 5 1 -ATOM 219 C CE1 . HIS B 2 5 . -26.589 7.085 1.225 1.00 29.36 ? CE1 HIS B 5 1 -ATOM 220 N NE2 . HIS B 2 5 . -27.644 6.508 0.743 1.00 29.26 ? NE2 HIS B 5 1 -ATOM 221 N N . LEU B 2 6 . -26.598 3.917 6.938 1.00 20.77 ? N LEU B 6 1 -ATOM 222 C CA . LEU B 2 6 . -26.687 3.585 8.415 1.00 19.53 ? CA LEU B 6 1 -ATOM 223 C C . LEU B 2 6 . -25.975 4.704 9.170 1.00 18.59 ? C LEU B 6 1 -ATOM 224 O O . LEU B 2 6 . -24.801 4.936 9.112 1.00 19.62 ? O LEU B 6 1 -ATOM 225 C CB . LEU B 2 6 . -26.022 2.239 8.643 1.00 20.76 ? CB LEU B 6 1 -ATOM 226 C CG . LEU B 2 6 . -26.576 1.028 7.938 1.00 20.81 ? CG LEU B 6 1 -ATOM 227 C CD1 . LEU B 2 6 . -25.623 -0.090 8.033 1.00 23.72 ? CD1 LEU B 6 1 -ATOM 228 C CD2 . LEU B 2 6 . -27.925 0.835 8.466 1.00 26.47 ? CD2 LEU B 6 1 -ATOM 229 N N . CYS B 2 7 . -26.784 5.491 9.984 1.00 19.64 ? N CYS B 7 1 -ATOM 230 C CA . CYS B 2 7 . -26.280 6.612 10.662 1.00 21.46 ? CA CYS B 7 1 -ATOM 231 C C . CYS B 2 7 . -26.494 6.556 12.219 1.00 16.78 ? C CYS B 7 1 -ATOM 232 O O . CYS B 2 7 . -27.487 5.953 12.588 1.00 19.55 ? O CYS B 7 1 -ATOM 233 C CB . CYS B 2 7 . -26.878 7.936 10.187 1.00 21.05 ? CB CYS B 7 1 -ATOM 234 S SG . CYS B 2 7 . -26.544 8.265 8.367 1.00 27.52 ? SG CYS B 7 1 -HETATM 235 N N . DPR B 2 8 . -25.569 7.080 12.916 1.00 15.79 ? N DPR B 8 1 -HETATM 236 C CA . DPR B 2 8 . -25.725 7.157 14.406 1.00 18.6 ? CA DPR B 8 1 -HETATM 237 C CB . DPR B 2 8 . -24.466 7.728 14.888 1.00 19.4 ? CB DPR B 8 1 -HETATM 238 C CG . DPR B 2 8 . -23.957 8.582 13.715 1.00 23.64 ? CG DPR B 8 1 -HETATM 239 C CD . DPR B 2 8 . -24.334 7.741 12.534 1.00 20.47 ? CD DPR B 8 1 -HETATM 240 C C . DPR B 2 8 . -26.017 5.820 15.001 1.00 16.31 ? C DPR B 8 1 -HETATM 241 O O . DPR B 2 8 . -25.287 4.825 14.786 1.00 16.93 ? O DPR B 8 1 -ATOM 242 N N . SER B 2 9 . -27.062 5.681 15.842 1.00 15.98 ? N SER B 9 1 -ATOM 243 C CA . SER B 2 9 . -27.368 4.435 16.512 1.00 15.26 ? CA SER B 9 1 -ATOM 244 C C . SER B 2 9 . -27.618 3.281 15.539 1.00 16.67 ? C SER B 9 1 -ATOM 245 O O . SER B 2 9 . -27.413 2.145 15.949 1.00 16.35 ? O SER B 9 1 -ATOM 246 C CB . SER B 2 9 . -28.499 4.623 17.505 1.00 16.99 ? CB SER B 9 1 -ATOM 247 O OG . SER B 2 9 . -29.735 4.799 16.897 1.00 19.66 ? OG SER B 9 1 -ATOM 248 N N . HIS B 2 10 . -28.103 3.621 14.353 1.00 17.85 ? N HIS B 10 1 -ATOM 249 C CA . HIS B 2 10 . -28.387 2.613 13.318 1.00 17.96 ? CA HIS B 10 1 -ATOM 250 C C . HIS B 2 10 . -27.061 1.970 12.857 1.00 16.48 ? C HIS B 10 1 -ATOM 251 O O . HIS B 2 10 . -27.069 0.735 12.580 1.00 18.62 ? O HIS B 10 1 -ATOM 252 C CB . HIS B 2 10 . -29.143 3.219 12.165 1.00 18.93 ? CB HIS B 10 1 -ATOM 253 C CG . HIS B 2 10 . -30.444 3.860 12.518 1.00 21.53 ? CG HIS B 10 1 -ATOM 254 N ND1 . HIS B 2 10 . -31.324 4.323 11.557 1.00 29.73 ? ND1 HIS B 10 1 -ATOM 255 C CD2 . HIS B 2 10 . -30.978 4.190 13.704 1.00 20.45 ? CD2 HIS B 10 1 -ATOM 256 C CE1 . HIS B 2 10 . -32.417 4.772 12.163 1.00 23.84 ? CE1 HIS B 10 1 -ATOM 257 N NE2 . HIS B 2 10 . -32.224 4.762 13.477 1.00 22.96 ? NE2 HIS B 10 1 -ATOM 258 N N . LEU B 2 11 . -26.055 2.746 12.698 1.00 17.14 ? N LEU B 11 1 -ATOM 259 C CA . LEU B 2 11 . -24.741 2.261 12.344 1.00 17.34 ? CA LEU B 11 1 -ATOM 260 C C . LEU B 2 11 . -24.157 1.427 13.465 1.00 16.88 ? C LEU B 11 1 -ATOM 261 O O . LEU B 2 11 . -23.569 0.292 13.219 1.00 15.79 ? O LEU B 11 1 -ATOM 262 C CB . LEU B 2 11 . -23.821 3.392 12.012 1.00 17.83 ? CB LEU B 11 1 -ATOM 263 C CG . LEU B 2 11 . -22.357 3.125 11.630 1.00 18.19 ? CG LEU B 11 1 -ATOM 264 C CD1 . LEU B 2 11 . -22.274 2.116 10.470 1.00 18.98 ? CD1 LEU B 11 1 -ATOM 265 C CD2 . LEU B 2 11 . -21.769 4.468 11.291 1.00 21.63 ? CD2 LEU B 11 1 -ATOM 266 N N . VAL B 2 12 . -24.244 1.890 14.747 1.00 15.38 ? N VAL B 12 1 -ATOM 267 C CA . VAL B 2 12 . -23.763 1.104 15.815 1.00 15.96 ? CA VAL B 12 1 -ATOM 268 C C . VAL B 2 12 . -24.481 -0.226 15.975 1.00 14.16 ? C VAL B 12 1 -ATOM 269 O O . VAL B 2 12 . -23.878 -1.247 16.226 1.00 15.53 ? O VAL B 12 1 -ATOM 270 C CB . VAL B 2 12 . -23.881 1.983 17.136 1.00 16.16 ? CB VAL B 12 1 -ATOM 271 C CG1 . VAL B 2 12 . -23.558 1.132 18.358 1.00 17.94 ? CG1 VAL B 12 1 -ATOM 272 C CG2 . VAL B 2 12 . -22.928 3.186 17.055 1.00 18.39 ? CG2 VAL B 12 1 -ATOM 273 N N . GLU B 2 13 . -25.798 -0.227 15.763 1.00 15.12 ? N GLU B 13 1 -ATOM 274 C CA . GLU B 2 13 . -26.566 -1.502 15.711 1.00 17.18 ? CA GLU B 13 1 -ATOM 275 C C . GLU B 2 13 . -26.022 -2.525 14.666 1.00 14.55 ? C GLU B 13 1 -ATOM 276 O O . GLU B 2 13 . -25.917 -3.716 14.973 1.00 16.13 ? O GLU B 13 1 -ATOM 277 C CB . GLU B 2 13 . -28.015 -1.161 15.493 1.00 18.73 ? CB GLU B 13 1 -ATOM 278 C CG . GLU B 2 13 . -28.883 -2.383 15.429 1.00 23.7 ? CG GLU B 13 1 -ATOM 279 C CD . GLU B 2 13 . -30.411 -2.058 15.646 1.00 26.63 ? CD GLU B 13 1 -ATOM 280 O OE1 . GLU B 2 13 . -30.807 -1.583 16.770 1.00 29.68 ? OE1 GLU B 13 1 -ATOM 281 O OE2 . GLU B 2 13 . -31.030 -2.280 14.627 1.00 34.61 ? OE2 GLU B 13 1 -ATOM 282 N N . ALA B 2 14 . -25.766 -1.986 13.477 1.00 16.18 ? N ALA B 14 1 -ATOM 283 C CA . ALA B 2 14 . -25.205 -2.910 12.459 1.00 15.69 ? CA ALA B 14 1 -ATOM 284 C C . ALA B 2 14 . -23.892 -3.417 12.762 1.00 16.37 ? C ALA B 14 1 -ATOM 285 O O . ALA B 2 14 . -23.623 -4.636 12.595 1.00 16.78 ? O ALA B 14 1 -ATOM 286 C CB . ALA B 2 14 . -25.155 -2.144 11.149 1.00 18.49 ? CB ALA B 14 1 -ATOM 287 N N . LEU B 2 15 . -22.988 -2.654 13.315 1.00 15.65 ? N LEU B 15 1 -ATOM 288 C CA . LEU B 2 15 . -21.665 -3.154 13.801 1.00 15.59 ? CA LEU B 15 1 -ATOM 289 C C . LEU B 2 15 . -21.829 -4.222 14.832 1.00 15.45 ? C LEU B 15 1 -ATOM 290 O O . LEU B 2 15 . -21.183 -5.251 14.863 1.00 17.37 ? O LEU B 15 1 -ATOM 291 C CB . LEU B 2 15 . -20.805 -2.011 14.388 1.00 16.66 ? CB LEU B 15 1 -ATOM 292 C CG . LEU B 2 15 . -20.132 -1.025 13.436 1.00 19.63 ? CG LEU B 15 1 -ATOM 293 C CD1 . LEU B 2 15 . -19.663 0.251 14.174 1.00 19.57 ? CD1 LEU B 15 1 -ATOM 294 C CD2 . LEU B 2 15 . -18.938 -1.745 12.730 1.00 21.2 ? CD2 LEU B 15 1 -ATOM 295 N N . TYR B 2 16 . -22.748 -3.972 15.830 1.00 16.03 ? N TYR B 16 1 -ATOM 296 C CA . TYR B 2 16 . -22.998 -4.944 16.851 1.00 16.5 ? CA TYR B 16 1 -ATOM 297 C C . TYR B 2 16 . -23.469 -6.291 16.290 1.00 15.38 ? C TYR B 16 1 -ATOM 298 O O . TYR B 2 16 . -22.928 -7.340 16.686 1.00 17.36 ? O TYR B 16 1 -ATOM 299 C CB . TYR B 2 16 . -24.107 -4.339 17.773 1.00 16.05 ? CB TYR B 16 1 -ATOM 300 C CG . TYR B 2 16 . -24.616 -5.373 18.823 1.00 16.28 ? CG TYR B 16 1 -ATOM 301 C CD1 . TYR B 2 16 . -23.838 -5.858 19.879 1.00 16.95 ? CD1 TYR B 16 1 -ATOM 302 C CD2 . TYR B 2 16 . -25.888 -5.816 18.753 1.00 15.68 ? CD2 TYR B 16 1 -ATOM 303 C CE1 . TYR B 2 16 . -24.320 -6.853 20.725 1.00 18.12 ? CE1 TYR B 16 1 -ATOM 304 C CE2 . TYR B 2 16 . -26.434 -6.789 19.559 1.00 16.51 ? CE2 TYR B 16 1 -ATOM 305 C CZ . TYR B 2 16 . -25.632 -7.272 20.610 1.00 17.28 ? CZ TYR B 16 1 -ATOM 306 O OH . TYR B 2 16 . -26.154 -8.206 21.475 1.00 17.96 ? OH TYR B 16 1 -ATOM 307 N N . LEU B 2 17 . -24.442 -6.196 15.352 1.00 14.83 ? N LEU B 17 1 -ATOM 308 C CA . LEU B 2 17 . -25.036 -7.445 14.763 1.00 16.39 ? CA LEU B 17 1 -ATOM 309 C C . LEU B 2 17 . -23.944 -8.197 13.877 1.00 18.29 ? C LEU B 17 1 -ATOM 310 O O . LEU B 2 17 . -23.814 -9.426 13.978 1.00 20.18 ? O LEU B 17 1 -ATOM 311 C CB . LEU B 2 17 . -26.300 -7.070 13.905 1.00 18.1 ? CB LEU B 17 1 -ATOM 312 C CG . LEU B 2 17 . -27.421 -6.682 14.811 1.00 19.5 ? CG LEU B 17 1 -ATOM 313 C CD1 . LEU B 2 17 . -28.569 -6.231 13.957 1.00 22.23 ? CD1 LEU B 17 1 -ATOM 314 C CD2 . LEU B 2 17 . -27.842 -7.847 15.695 1.00 22.56 ? CD2 LEU B 17 1 -ATOM 315 N N . VAL B 2 18 . -23.223 -7.485 13.115 1.00 17.09 ? N VAL B 18 1 -ATOM 316 C CA . VAL B 2 18 . -22.186 -8.103 12.180 1.00 17.7 ? CA VAL B 18 1 -ATOM 317 C C . VAL B 2 18 . -21.047 -8.710 12.954 1.00 18.58 ? C VAL B 18 1 -ATOM 318 O O . VAL B 2 18 . -20.543 -9.820 12.675 1.00 19.9 ? O VAL B 18 1 -ATOM 319 C CB . VAL B 2 18 . -21.670 -7.004 11.186 1.00 19.15 ? CB VAL B 18 1 -ATOM 320 C CG1 . VAL B 2 18 . -20.311 -7.410 10.531 1.00 19.59 ? CG1 VAL B 18 1 -ATOM 321 C CG2 . VAL B 2 18 . -22.741 -6.716 10.168 1.00 21.81 ? CG2 VAL B 18 1 -ATOM 322 N N . CYS B 2 19 . -20.578 -8.019 14.003 1.00 15.8 ? N CYS B 19 1 -ATOM 323 C CA . CYS B 2 19 . -19.372 -8.364 14.749 1.00 16.37 ? CA CYS B 19 1 -ATOM 324 C C . CYS B 2 19 . -19.575 -9.451 15.789 1.00 20.55 ? C CYS B 19 1 -ATOM 325 O O . CYS B 2 19 . -18.565 -10.052 16.181 1.00 22.95 ? O CYS B 19 1 -ATOM 326 C CB . CYS B 2 19 . -18.642 -7.119 15.223 1.00 18.72 ? CB CYS B 19 1 -ATOM 327 S SG . CYS B 2 19 . -18.073 -6.029 13.935 1.00 17.5 ? SG CYS B 19 1 -ATOM 328 N N . GLY B 2 20 . -20.753 -9.561 16.291 1.00 21.89 ? N GLY B 20 1 -ATOM 329 C CA . GLY B 2 20 . -21.088 -10.605 17.297 1.00 26.99 ? CA GLY B 20 1 -ATOM 330 C C . GLY B 2 20 . -20.173 -10.624 18.502 1.00 29.1 ? C GLY B 20 1 -ATOM 331 O O . GLY B 2 20 . -19.873 -9.559 19.064 1.00 26.63 ? O GLY B 20 1 -ATOM 332 N N . GLU B 2 21 . -19.595 -11.790 18.836 1.00 28.28 ? N GLU B 21 1 -ATOM 333 C CA . GLU B 2 21 . -18.902 -11.996 20.087 1.00 31.32 ? CA GLU B 21 1 -ATOM 334 C C . GLU B 2 21 . -17.536 -11.360 20.086 1.00 28.7 ? C GLU B 21 1 -ATOM 335 O O . GLU B 2 21 . -16.929 -11.218 21.123 1.00 35.56 ? O GLU B 21 1 -ATOM 336 C CB . GLU B 2 21 . -18.841 -13.520 20.387 1.00 34.83 ? CB GLU B 21 1 -ATOM 337 C CG . GLU B 2 21 . -17.607 -14.263 19.872 1.00 45.1 ? CG GLU B 21 1 -ATOM 338 N N . ARG B 2 22 . -17.042 -10.926 18.897 1.00 28.89 ? N ARG B 22 1 -ATOM 339 C CA A ARG B 2 22 . -15.753 -10.243 18.775 0.50 29.14 ? CA ARG B 22 1 -ATOM 340 C CA B ARG B 2 22 . -15.743 -10.225 18.736 0.50 30.45 ? CA ARG B 22 1 -ATOM 341 C C . ARG B 2 22 . -15.839 -8.774 19.275 1.00 26.52 ? C ARG B 22 1 -ATOM 342 O O . ARG B 2 22 . -14.845 -8.158 19.732 1.00 27.46 ? O ARG B 22 1 -ATOM 343 C CB A ARG B 2 22 . -15.316 -10.266 17.313 0.50 33.06 ? CB ARG B 22 1 -ATOM 344 C CB B ARG B 2 22 . -15.311 -10.100 17.250 0.50 36.51 ? CB ARG B 22 1 -ATOM 345 C CG A ARG B 2 22 . -15.397 -11.658 16.684 0.50 36.04 ? CG ARG B 22 1 -ATOM 346 C CG B ARG B 2 22 . -15.324 -11.340 16.354 0.50 42.26 ? CG ARG B 22 1 -ATOM 347 C CD B ARG B 2 22 . -14.171 -12.302 16.618 0.50 44.13 ? CD ARG B 22 1 -ATOM 348 N NE B ARG B 2 22 . -12.840 -11.760 16.384 0.50 44.7 ? NE ARG B 22 1 -ATOM 349 C CZ B ARG B 2 22 . -11.870 -11.807 17.283 0.50 47.19 ? CZ ARG B 22 1 -ATOM 350 N NH1 B ARG B 2 22 . -12.096 -12.345 18.462 0.50 52.15 ? NH1 ARG B 22 1 -ATOM 351 N NH2 B ARG B 2 22 . -10.676 -11.324 17.009 0.50 46.44 ? NH2 ARG B 22 1 -ATOM 352 N N . GLY B 2 23 . -17.021 -8.185 19.180 1.00 23.5 ? N GLY B 23 1 -ATOM 353 C CA . GLY B 2 23 . -17.144 -6.769 19.345 1.00 22.26 ? CA GLY B 23 1 -ATOM 354 C C . GLY B 2 23 . -16.486 -5.957 18.283 1.00 19.64 ? C GLY B 23 1 -ATOM 355 O O . GLY B 2 23 . -16.062 -6.507 17.200 1.00 19.65 ? O GLY B 23 1 -ATOM 356 N N . PHE B 2 24 . -16.378 -4.648 18.468 1.00 18.16 ? N PHE B 24 1 -ATOM 357 C CA . PHE B 2 24 . -15.972 -3.758 17.498 1.00 17.39 ? CA PHE B 24 1 -ATOM 358 C C . PHE B 2 24 . -15.424 -2.453 17.966 1.00 19.07 ? C PHE B 24 1 -ATOM 359 O O . PHE B 2 24 . -15.564 -2.201 19.210 1.00 20.41 ? O PHE B 24 1 -ATOM 360 C CB . PHE B 2 24 . -17.165 -3.428 16.509 1.00 17.43 ? CB PHE B 24 1 -ATOM 361 C CG . PHE B 2 24 . -18.385 -2.869 17.258 1.00 16.53 ? CG PHE B 24 1 -ATOM 362 C CD1 . PHE B 2 24 . -19.335 -3.638 17.829 1.00 18.44 ? CD1 PHE B 24 1 -ATOM 363 C CD2 . PHE B 2 24 . -18.435 -1.499 17.396 1.00 18.33 ? CD2 PHE B 24 1 -ATOM 364 C CE1 . PHE B 2 24 . -20.388 -3.065 18.536 1.00 18.24 ? CE1 PHE B 24 1 -ATOM 365 C CE2 . PHE B 2 24 . -19.511 -0.874 18.100 1.00 20.98 ? CE2 PHE B 24 1 -ATOM 366 C CZ . PHE B 2 24 . -20.462 -1.708 18.616 1.00 17.79 ? CZ PHE B 24 1 -ATOM 367 N N . PHE B 2 25 . -14.837 -1.634 17.181 1.00 20.52 ? N PHE B 25 1 -ATOM 368 C CA . PHE B 2 25 . -14.532 -0.244 17.515 1.00 20.41 ? CA PHE B 25 1 -ATOM 369 C C . PHE B 2 25 . -15.312 0.709 16.721 1.00 20.55 ? C PHE B 25 1 -ATOM 370 O O . PHE B 2 25 . -15.429 0.518 15.450 1.00 22.1 ? O PHE B 25 1 -ATOM 371 C CB . PHE B 2 25 . -13.044 0.039 17.441 1.00 26.15 ? CB PHE B 25 1 -ATOM 372 C CG . PHE B 2 25 . -12.406 -0.370 16.274 1.00 30.96 ? CG PHE B 25 1 -ATOM 373 C CD1 . PHE B 2 25 . -12.010 -1.743 16.119 1.00 36.66 ? CD1 PHE B 25 1 -ATOM 374 C CD2 . PHE B 2 25 . -12.071 0.576 15.294 1.00 41.71 ? CD2 PHE B 25 1 -ATOM 375 C CE1 . PHE B 2 25 . -11.319 -2.162 14.963 1.00 40.11 ? CE1 PHE B 25 1 -ATOM 376 C CE2 . PHE B 2 25 . -11.364 0.141 14.127 1.00 42.79 ? CE2 PHE B 25 1 -ATOM 377 C CZ . PHE B 2 25 . -11.017 -1.199 13.959 1.00 39.28 ? CZ PHE B 25 1 -ATOM 378 N N . TYR B 2 26 . -15.921 1.767 17.239 1.00 18.35 ? N TYR B 26 1 -ATOM 379 C CA . TYR B 2 26 . -16.729 2.747 16.649 1.00 18.44 ? CA TYR B 26 1 -ATOM 380 C C . TYR B 2 26 . -16.055 4.053 16.802 1.00 20.84 ? C TYR B 26 1 -ATOM 381 O O . TYR B 2 26 . -15.939 4.598 17.933 1.00 21.24 ? O TYR B 26 1 -ATOM 382 C CB . TYR B 2 26 . -18.136 2.747 17.217 1.00 20.09 ? CB TYR B 26 1 -ATOM 383 C CG . TYR B 2 26 . -18.993 3.881 16.773 1.00 20.24 ? CG TYR B 26 1 -ATOM 384 C CD1 . TYR B 2 26 . -19.281 4.090 15.415 1.00 20.25 ? CD1 TYR B 26 1 -ATOM 385 C CD2 . TYR B 2 26 . -19.485 4.855 17.645 1.00 21.56 ? CD2 TYR B 26 1 -ATOM 386 C CE1 . TYR B 2 26 . -20.003 5.154 14.988 1.00 22.43 ? CE1 TYR B 26 1 -ATOM 387 C CE2 . TYR B 2 26 . -20.242 5.882 17.209 1.00 20.54 ? CE2 TYR B 26 1 -ATOM 388 C CZ . TYR B 2 26 . -20.493 6.090 15.900 1.00 21.55 ? CZ TYR B 26 1 -ATOM 389 O OH . TYR B 2 26 . -21.251 7.177 15.485 1.00 27.84 ? OH TYR B 26 1 -ATOM 390 N N . THR B 2 27 . -15.481 4.585 15.725 1.00 24.69 ? N THR B 27 1 -ATOM 391 C CA A THR B 2 27 . -14.576 5.689 15.698 0.50 24.41 ? CA THR B 27 1 -ATOM 392 C CA B THR B 2 27 . -14.662 5.752 15.798 0.50 29.51 ? CA THR B 27 1 -ATOM 393 C C . THR B 2 27 . -15.095 6.699 14.695 1.00 30.08 ? C THR B 27 1 -ATOM 394 O O . THR B 2 27 . -14.426 6.857 13.633 1.00 31.93 ? O THR B 27 1 -ATOM 395 C CB A THR B 2 27 . -13.177 5.206 15.216 0.50 22.73 ? CB THR B 27 1 -ATOM 396 C CB B THR B 2 27 . -13.167 5.448 15.814 0.50 35 ? CB THR B 27 1 -ATOM 397 O OG1 A THR B 2 27 . -13.277 4.491 13.941 0.50 27 ? OG1 THR B 27 1 -ATOM 398 O OG1 B THR B 2 27 . -12.481 6.674 15.620 0.50 37.72 ? OG1 THR B 27 1 -ATOM 399 C CG2 A THR B 2 27 . -12.567 4.265 16.307 0.50 20.48 ? CG2 THR B 27 1 -ATOM 400 C CG2 B THR B 2 27 . -12.757 4.415 14.731 0.50 37.85 ? CG2 THR B 27 1 -ATOM 401 N N . PRO B 2 28 . -16.186 7.391 14.964 1.00 25.18 ? N PRO B 28 1 -ATOM 402 C CA . PRO B 2 28 . -16.831 8.402 14.095 1.00 30.57 ? CA PRO B 28 1 -ATOM 403 C C . PRO B 2 28 . -15.963 9.648 13.730 1.00 33.05 ? C PRO B 28 1 -ATOM 404 O O . PRO B 2 28 . -16.275 10.288 12.719 1.00 33.74 ? O PRO B 28 1 -ATOM 405 C CB . PRO B 2 28 . -18.113 8.779 14.816 1.00 27.96 ? CB PRO B 28 1 -ATOM 406 C CG . PRO B 2 28 . -17.748 8.569 16.274 1.00 25.66 ? CG PRO B 28 1 -ATOM 407 C CD . PRO B 2 28 . -16.894 7.339 16.280 1.00 25.27 ? CD PRO B 28 1 -ATOM 408 N N . LYS B 2 29 . -15.004 9.888 14.626 1.00 39.68 ? N LYS B 29 1 -ATOM 409 C CA A LYS B 2 29 . -14.003 10.988 14.584 0.50 49.52 ? CA LYS B 29 1 -ATOM 410 C CA B LYS B 2 29 . -13.991 10.966 14.581 0.50 50.92 ? CA LYS B 29 1 -ATOM 411 C C . LYS B 2 29 . -14.544 12.290 15.132 1.00 59.57 ? C LYS B 29 1 -ATOM 412 O O . LYS B 2 29 . -14.488 12.544 16.363 1.00 67.86 ? O LYS B 29 1 -ATOM 413 C CB A LYS B 2 29 . -13.402 11.215 13.202 0.50 53.37 ? CB LYS B 29 1 -ATOM 414 C CB B LYS B 2 29 . -13.380 11.126 13.186 0.50 55.97 ? CB LYS B 29 1 -ATOM 415 C CG A LYS B 2 29 . -11.963 10.761 13.105 0.50 53.19 ? CG LYS B 29 1 -ATOM 416 C CG B LYS B 2 29 . -12.919 9.820 12.528 0.50 58.5 ? CG LYS B 29 1 -ATOM 417 C CD A LYS B 2 29 . -11.856 9.242 13.261 0.50 53.74 ? CD LYS B 29 1 -ATOM 418 C CD B LYS B 2 29 . -11.684 9.207 13.195 0.50 61.04 ? CD LYS B 29 1 -ATOM 419 C CE A LYS B 2 29 . -11.170 8.554 12.070 0.50 49.65 ? CE LYS B 29 1 -ATOM 420 C CE B LYS B 2 29 . -11.131 8.030 12.388 0.50 57.56 ? CE LYS B 29 1 -ATOM 421 N NZ A LYS B 2 29 . -12.141 8.218 10.995 0.50 41.24 ? NZ LYS B 29 1 -ATOM 422 N NZ B LYS B 2 29 . -10.378 7.095 13.262 0.50 52.57 ? NZ LYS B 29 1 -HETATM 423 CL CL . CL C 3 . . -27.188 -12.142 12.142 0.33 78.62 ? CL CL B 1001 1 -HETATM 424 O O . HOH D 4 . . -13.085 6.952 4.844 1.00 48.73 ? O HOH A 2001 1 -HETATM 425 O O . HOH D 4 . . -10.765 8.176 7.675 1.00 52.71 ? O HOH A 2002 1 -HETATM 426 O O . HOH D 4 . . -14.679 3.681 6.976 1.00 50.03 ? O HOH A 2003 1 -HETATM 427 O O . HOH D 4 . . -13.701 5.263 11.317 1.00 35.09 ? O HOH A 2004 1 -HETATM 428 O O . HOH D 4 . . -15.893 8.497 10.500 1.00 37.68 ? O HOH A 2005 1 -HETATM 429 O O . HOH D 4 . . -13.429 11.674 10.013 1.00 68.12 ? O HOH A 2006 1 -HETATM 430 O O . HOH D 4 . . -19.389 12.492 5.403 1.00 62.34 ? O HOH A 2007 1 -HETATM 431 O O . HOH D 4 . . -16.005 12.322 10.646 1.00 65.9 ? O HOH A 2008 1 -HETATM 432 O O . HOH D 4 . . -18.342 3.399 1.226 1.00 27.23 ? O HOH A 2009 1 -HETATM 433 O O . HOH D 4 . . -20.196 3.582 1.064 1.00 26.27 ? O HOH A 2010 1 -HETATM 434 O O . HOH D 4 . . -11.010 0.184 7.936 1.00 50.09 ? O HOH A 2011 1 -HETATM 435 O O . HOH D 4 . . -27.618 9.520 4.990 1.00 38.65 ? O HOH A 2012 1 -HETATM 436 O O . HOH D 4 . . -25.236 8.312 -0.929 1.00 38.45 ? O HOH A 2013 1 -HETATM 437 O O . HOH D 4 . . -25.937 11.234 1.830 1.00 54.33 ? O HOH A 2014 1 -HETATM 438 O O . HOH D 4 . . -22.687 9.418 -1.506 1.00 60.8 ? O HOH A 2015 1 -HETATM 439 O O . HOH D 4 . . -10.363 0.000 19.665 0.50 54.03 ? O HOH A 2016 1 -HETATM 440 O O . HOH D 4 . . -19.913 9.868 -1.836 1.00 45.91 ? O HOH A 2017 1 -HETATM 441 O O . HOH D 4 . . -19.665 0.346 0.000 0.50 27.18 ? O HOH A 2018 1 -HETATM 442 O O . HOH D 4 . . -22.889 -2.269 -0.341 1.00 25.92 ? O HOH A 2019 1 -HETATM 443 O O . HOH D 4 . . -22.211 -6.069 1.521 1.00 24.96 ? O HOH A 2020 1 -HETATM 444 O O . HOH D 4 . . -19.942 -6.330 1.189 1.00 31.27 ? O HOH A 2021 1 -HETATM 445 O O . HOH D 4 . . -17.771 -8.644 2.078 1.00 45.55 ? O HOH A 2022 1 -HETATM 446 O O . HOH D 4 . . -10.225 -8.043 0.551 1.00 40.95 ? O HOH A 2023 1 -HETATM 447 O O . HOH D 4 . . -9.846 -4.145 3.762 1.00 63.04 ? O HOH A 2024 1 -HETATM 448 O O . HOH D 4 . . -13.626 -0.375 6.728 1.00 35.88 ? O HOH A 2025 1 -HETATM 449 O O . HOH D 4 . . -14.026 1.842 5.259 1.00 39.27 ? O HOH A 2026 1 -HETATM 450 O O . HOH D 4 . . -11.540 -0.387 2.575 1.00 55.64 ? O HOH A 2027 1 -HETATM 451 O O . HOH D 4 . . -11.605 -7.060 11.410 1.00 41.68 ? O HOH A 2028 1 -HETATM 452 O O . HOH D 4 . . -20.488 -10.948 10.076 1.00 25.82 ? O HOH A 2029 1 -HETATM 453 O O . HOH D 4 . . -11.763 -7.761 8.137 1.00 43.83 ? O HOH A 2030 1 -HETATM 454 O O . HOH D 4 . . -11.700 5.068 10.612 1.00 47.1 ? O HOH A 2031 1 -HETATM 455 O O . HOH D 4 . . -12.169 -9.413 13.145 1.00 45.28 ? O HOH A 2032 1 -HETATM 456 O O . HOH D 4 . . -11.247 -2.337 20.016 1.00 56.96 ? O HOH A 2033 1 -HETATM 457 O O . HOH E 4 . . -27.718 -7.645 5.644 1.00 39.31 ? O HOH B 2001 1 -HETATM 458 O O . HOH E 4 . . -29.297 -4.654 3.101 1.00 44.97 ? O HOH B 2002 1 -HETATM 459 O O . HOH E 4 . . -32.862 -6.468 6.468 0.33 41.57 ? O HOH B 2003 1 -HETATM 460 O O . HOH E 4 . . -33.458 5.519 7.994 1.00 68.94 ? O HOH B 2004 1 -HETATM 461 O O . HOH E 4 . . -30.048 2.102 -0.453 1.00 66.85 ? O HOH B 2005 1 -HETATM 462 O O . HOH E 4 . . -31.146 3.602 6.064 1.00 54.09 ? O HOH B 2006 1 -HETATM 463 O O . HOH E 4 . . -30.495 3.769 2.498 1.00 46.13 ? O HOH B 2007 1 -HETATM 464 O O . HOH E 4 . . -29.699 5.335 9.367 1.00 30.23 ? O HOH B 2008 1 -HETATM 465 O O . HOH E 4 . . -29.636 7.545 13.430 1.00 31.53 ? O HOH B 2009 1 -HETATM 466 O O . HOH E 4 . . -20.941 -11.383 23.701 1.00 52.83 ? O HOH B 2010 1 -HETATM 467 O O . HOH E 4 . . -27.121 1.395 19.417 1.00 41.69 ? O HOH B 2011 1 -HETATM 468 O O . HOH E 4 . . -29.550 -0.461 11.778 1.00 36.49 ? O HOH B 2012 1 -HETATM 469 O O . HOH E 4 . . -31.398 2.874 8.986 1.00 47.66 ? O HOH B 2013 1 -HETATM 470 O O . HOH E 4 . . -29.658 -1.200 19.370 1.00 37.73 ? O HOH B 2014 1 -HETATM 471 O O . HOH E 4 . . -20.587 -6.975 18.432 1.00 23.88 ? O HOH B 2015 1 -HETATM 472 O O . HOH E 4 . . -24.269 -9.540 18.186 1.00 37.69 ? O HOH B 2016 1 -HETATM 473 O O . HOH E 4 . . -24.659 -11.290 15.730 1.00 44.96 ? O HOH B 2017 1 -HETATM 474 O O . HOH E 4 . . -21.673 -12.258 13.846 1.00 52.39 ? O HOH B 2018 1 -HETATM 475 O O . HOH E 4 . . -21.474 -9.052 21.819 1.00 30.55 ? O HOH B 2019 1 -HETATM 476 O O . HOH E 4 . . -20.219 -14.037 17.117 1.00 40.35 ? O HOH B 2020 1 -HETATM 477 O O . HOH E 4 . . -18.220 -12.224 23.643 1.00 51.78 ? O HOH B 2021 1 -HETATM 478 O O . HOH E 4 . . -13.325 -10.902 10.049 1.00 63.85 ? O HOH B 2022 1 -HETATM 479 O O . HOH E 4 . . -15.715 2.688 13.478 1.00 28.09 ? O HOH B 2023 1 -HETATM 480 O O . HOH E 4 . . -13.978 8.617 16.941 1.00 35.3 ? O HOH B 2024 1 -# -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 9 +ATOM 1 N N GLY 1 . . A 1 -13.933 8.292 7.362 1.00 40.66 ? N GLY 1 A 1 +ATOM 2 C CA GLY 1 . . A 1 -13.909 6.998 8.119 1.00 36.77 ? CA GLY 1 A 1 +ATOM 3 C C GLY 1 . . A 1 -15.338 6.439 8.015 1.00 33.64 ? C GLY 1 A 1 +ATOM 4 O O GLY 1 . . A 1 -16.062 6.662 7.020 1.00 28.92 ? O GLY 1 A 1 +ATOM 5 N N ILE 2 . . A 1 -15.760 5.766 9.067 1.00 27.55 ? N ILE 2 A 1 +ATOM 6 C CA ILE 2 . . A 1 -16.959 4.952 8.960 1.00 25.01 ? CA ILE 2 A 1 +ATOM 7 C C ILE 2 . . A 1 -18.162 5.736 8.609 1.00 22.85 ? C ILE 2 A 1 +ATOM 8 O O ILE 2 . . A 1 -19.125 5.291 7.998 1.00 20.97 ? O ILE 2 A 1 +ATOM 9 C CB ILE 2 . . A 1 -17.150 4.060 10.176 1.00 25.01 ? CB ILE 2 A 1 +ATOM 10 C CG1 ILE 2 . . A 1 -18.149 2.962 9.904 1.00 22.85 ? CG1 ILE 2 A 1 +ATOM 11 C CG2 ILE 2 . . A 1 -17.536 4.888 11.466 1.00 26.22 ? CG2 ILE 2 A 1 +ATOM 12 C CD1 ILE 2 . . A 1 -18.352 2.025 11.050 1.00 24.5 ? CD1 ILE 2 A 1 +ATOM 13 N N VAL 3 . . A 1 -18.286 6.951 9.146 1.00 26.89 ? N VAL 3 A 1 +ATOM 14 C CA VAL 3 . . A 1 -19.458 7.708 8.897 1.00 24.16 ? CA VAL 3 A 1 +ATOM 15 C C VAL 3 . . A 1 -19.611 8.122 7.383 1.00 23.79 ? C VAL 3 A 1 +ATOM 16 O O VAL 3 . . A 1 -20.755 8.061 6.820 1.00 24.32 ? O VAL 3 A 1 +ATOM 17 C CB VAL 3 . . A 1 -19.478 8.958 9.856 1.00 29.35 ? CB VAL 3 A 1 +ATOM 18 C CG1 VAL 3 . . A 1 -20.577 9.875 9.409 1.00 31.54 ? CG1 VAL 3 A 1 +ATOM 19 C CG2 VAL 3 . . A 1 -19.760 8.524 11.289 1.00 29.06 ? CG2 VAL 3 A 1 +ATOM 20 N N GLU 4 . . A 1 -18.465 8.534 6.868 1.00 30.65 ? N GLU 4 A 1 +ATOM 21 C CA GLU 4 . . A 1 -18.405 8.853 5.381 1.00 33.57 ? CA GLU 4 A 1 +ATOM 22 C C GLU 4 . . A 1 -18.766 7.664 4.552 1.00 29.07 ? C GLU 4 A 1 +ATOM 23 O O GLU 4 . . A 1 -19.569 7.794 3.578 1.00 31.58 ? O GLU 4 A 1 +ATOM 24 C CB GLU 4 . . A 1 -17.059 9.450 4.998 1.00 36.82 ? CB GLU 4 A 1 +ATOM 25 C CG GLU 4 . . A 1 -16.890 10.791 5.758 1.00 44.99 ? CG GLU 4 A 1 +ATOM 26 C CD GLU 4 . . A 1 -16.675 10.684 7.316 1.00 41.81 ? CD GLU 4 A 1 +ATOM 27 O OE1 GLU 4 . . A 1 -15.919 9.761 7.859 1.00 39.47 ? OE1 GLU 4 A 1 +ATOM 28 O OE2 GLU 4 . . A 1 -17.210 11.637 7.934 1.00 56.85 ? OE2 GLU 4 A 1 +ATOM 29 N N GLN 5 . . A 1 -18.257 6.503 4.935 1.00 24.65 ? N GLN 5 A 1 +ATOM 30 C CA GLN 5 . . A 1 -18.494 5.271 4.175 1.00 22.55 ? CA GLN 5 A 1 +ATOM 31 C C GLN 5 . . A 1 -19.832 4.621 4.279 1.00 27.93 ? C GLN 5 A 1 +ATOM 32 O O GLN 5 . . A 1 -20.335 3.962 3.398 1.00 25.49 ? O GLN 5 A 1 +ATOM 33 C CB GLN 5 . . A 1 -17.432 4.275 4.468 1.00 23.08 ? CB GLN 5 A 1 +ATOM 34 C CG GLN 5 . . A 1 -15.976 4.791 4.244 1.00 28.37 ? CG GLN 5 A 1 +ATOM 35 C CD GLN 5 . . A 1 -15.697 5.473 2.847 1.00 32.3 ? CD GLN 5 A 1 +ATOM 36 O OE1 GLN 5 . . A 1 -14.987 6.513 2.760 1.00 37.81 ? OE1 GLN 5 A 1 +ATOM 37 N NE2 GLN 5 . . A 1 -16.403 5.019 1.822 1.00 24.96 ? NE2 GLN 5 A 1 +ATOM 38 N N CYS 6 . . A 1 -20.463 4.713 5.501 1.00 20.69 ? N CYS 6 A 1 +ATOM 39 C CA CYS 6 . . A 1 -21.625 3.952 5.766 1.00 19.96 ? CA CYS 6 A 1 +ATOM 40 C C CYS 6 . . A 1 -22.916 4.731 6.058 1.00 17.67 ? C CYS 6 A 1 +ATOM 41 O O CYS 6 . . A 1 -23.990 4.210 5.979 1.00 19.23 ? O CYS 6 A 1 +ATOM 42 C CB CYS 6 . . A 1 -21.379 3.031 7.018 1.00 19.84 ? CB CYS 6 A 1 +ATOM 43 S SG CYS 6 . . A 1 -20.414 1.598 6.484 1.00 22.62 ? SG CYS 6 A 1 +ATOM 44 N N CYS 7 . . A 1 -22.790 6.061 6.392 1.00 21.67 ? N CYS 7 A 1 +ATOM 45 C CA CYS 7 . . A 1 -23.920 6.950 6.648 1.00 21.46 ? CA CYS 7 A 1 +ATOM 46 C C CYS 7 . . A 1 -24.186 7.961 5.476 1.00 21.17 ? C CYS 7 A 1 +ATOM 47 O O CYS 7 . . A 1 -25.290 7.998 5.024 1.00 24.03 ? O CYS 7 A 1 +ATOM 48 C CB CYS 7 . . A 1 -23.633 7.652 7.976 1.00 24.29 ? CB CYS 7 A 1 +ATOM 49 S SG CYS 7 . . A 1 -24.757 9.060 8.383 1.00 27.67 ? SG CYS 7 A 1 +ATOM 50 N N THR 8 . . A 1 -23.103 8.710 5.146 1.00 24.18 ? N THR 8 A 1 +ATOM 51 C CA THR 8 . . A 1 -23.163 9.700 4.037 1.00 28.03 ? CA THR 8 A 1 +ATOM 52 C C THR 8 . . A 1 -23.197 8.929 2.682 1.00 28.99 ? C THR 8 A 1 +ATOM 53 O O THR 8 . . A 1 -23.749 9.436 1.727 1.00 34.94 ? O THR 8 A 1 +ATOM 54 C CB THR 8 . . A 1 -22.136 10.822 4.205 1.00 26.47 ? CB THR 8 A 1 +ATOM 55 O OG1 THR 8 . . A 1 -20.864 10.392 4.104 1.00 36.66 ? OG1 THR 8 A 1 +ATOM 56 C CG2 THR 8 . . A 1 -22.201 11.395 5.549 1.00 35.02 ? CG2 THR 8 A 1 +ATOM 57 N N SER 9 . . A 1 -22.619 7.731 2.622 1.00 26.84 ? N SER 9 A 1 +ATOM 58 C CA SER 9 A . A 1 -22.719 6.822 1.461 0.50 24.85 ? CA SER 9 A 1 +ATOM 59 C CA SER 9 B . A 1 -22.818 6.836 1.463 0.50 22.96 ? CA SER 9 A 1 +ATOM 60 C C SER 9 . . A 1 -23.250 5.455 1.902 1.00 23.35 ? C SER 9 A 1 +ATOM 61 O O SER 9 . . A 1 -23.388 5.214 3.128 1.00 22.04 ? O SER 9 A 1 +ATOM 62 C CB SER 9 A . A 1 -21.322 6.591 0.867 0.50 25.76 ? CB SER 9 A 1 +ATOM 63 C CB SER 9 B . A 1 -21.513 6.741 0.678 0.50 23.33 ? CB SER 9 A 1 +ATOM 64 O OG SER 9 A . A 1 -20.515 7.760 0.828 0.50 28.02 ? OG SER 9 A 1 +ATOM 65 O OG SER 9 B . A 1 -20.442 6.129 1.407 0.50 20.01 ? OG SER 9 A 1 +ATOM 66 N N ILE 10 . . A 1 -23.486 4.529 0.997 1.00 21.68 ? N ILE 10 A 1 +ATOM 67 C CA ILE 10 . . A 1 -24.095 3.252 1.302 1.00 21.58 ? CA ILE 10 A 1 +ATOM 68 C C ILE 10 . . A 1 -23.033 2.273 1.877 1.00 21.01 ? C ILE 10 A 1 +ATOM 69 O O ILE 10 . . A 1 -21.954 2.118 1.364 1.00 20.75 ? O ILE 10 A 1 +ATOM 70 C CB ILE 10 . . A 1 -24.779 2.622 0.049 1.00 22.25 ? CB ILE 10 A 1 +ATOM 71 C CG1 ILE 10 . . A 1 -25.949 3.521 -0.379 1.00 22.6 ? CG1 ILE 10 A 1 +ATOM 72 C CG2 ILE 10 . . A 1 -25.343 1.278 0.304 1.00 25.14 ? CG2 ILE 10 A 1 +ATOM 73 C CD1 ILE 10 . . A 1 -26.447 3.251 -1.765 1.00 31.71 ? CD1 ILE 10 A 1 +ATOM 74 N N CYS 11 . . A 1 -23.358 1.703 3.048 1.00 20.09 ? N CYS 11 A 1 +ATOM 75 C CA CYS 11 . . A 1 -22.538 0.741 3.658 1.00 19.51 ? CA CYS 11 A 1 +ATOM 76 C C CYS 11 . . A 1 -22.376 -0.584 2.952 1.00 21.87 ? C CYS 11 A 1 +ATOM 77 O O CYS 11 . . A 1 -23.061 -0.802 1.980 1.00 24.02 ? O CYS 11 A 1 +ATOM 78 C CB CYS 11 . . A 1 -23.093 0.596 5.088 1.00 19.48 ? CB CYS 11 A 1 +ATOM 79 S SG CYS 11 . . A 1 -21.876 0.059 6.406 1.00 22.91 ? SG CYS 11 A 1 +ATOM 80 N N SER 12 . . A 1 -21.426 -1.398 3.420 1.00 22.17 ? N SER 12 A 1 +ATOM 81 C CA SER 12 . . A 1 -21.180 -2.771 2.902 1.00 22.74 ? CA SER 12 A 1 +ATOM 82 C C SER 12 . . A 1 -20.757 -3.626 4.082 1.00 19.5 ? C SER 12 A 1 +ATOM 83 O O SER 12 . . A 1 -20.097 -3.159 5.051 1.00 19.44 ? O SER 12 A 1 +ATOM 84 C CB SER 12 . . A 1 -20.094 -2.784 1.859 1.00 21.82 ? CB SER 12 A 1 +ATOM 85 O OG SER 12 . . A 1 -18.754 -2.567 2.267 1.00 22.5 ? OG SER 12 A 1 +ATOM 86 N N LEU 13 . . A 1 -20.963 -4.928 3.919 1.00 19.45 ? N LEU 13 A 1 +ATOM 87 C CA LEU 13 . . A 1 -20.472 -5.930 4.905 1.00 18.36 ? CA LEU 13 A 1 +ATOM 88 C C LEU 13 . . A 1 -19.008 -5.923 5.002 1.00 19.42 ? C LEU 13 A 1 +ATOM 89 O O LEU 13 . . A 1 -18.357 -5.990 6.057 1.00 18.22 ? O LEU 13 A 1 +ATOM 90 C CB LEU 13 . . A 1 -21.012 -7.290 4.619 1.00 18.09 ? CB LEU 13 A 1 +ATOM 91 C CG LEU 13 . . A 1 -20.602 -8.393 5.569 1.00 17.53 ? CG LEU 13 A 1 +ATOM 92 C CD1 LEU 13 . . A 1 -21.077 -8.162 7.011 1.00 17.51 ? CD1 LEU 13 A 1 +ATOM 93 C CD2 LEU 13 . . A 1 -21.124 -9.705 5.011 1.00 16.76 ? CD2 LEU 13 A 1 +ATOM 94 N N TYR 14 . . A 1 -18.325 -5.800 3.832 1.00 19.49 ? N TYR 14 A 1 +ATOM 95 C CA TYR 14 . . A 1 -16.953 -5.742 3.741 1.00 20.91 ? CA TYR 14 A 1 +ATOM 96 C C TYR 14 . . A 1 -16.328 -4.676 4.657 1.00 20.35 ? C TYR 14 A 1 +ATOM 97 O O TYR 14 . . A 1 -15.366 -4.875 5.364 1.00 22.94 ? O TYR 14 A 1 +ATOM 98 C CB TYR 14 . . A 1 -16.639 -5.456 2.197 1.00 26.2 ? CB TYR 14 A 1 +ATOM 99 C CG TYR 14 . . A 1 -15.208 -5.456 1.977 1.00 25.47 ? CG TYR 14 A 1 +ATOM 100 C CD1 TYR 14 . . A 1 -14.364 -4.368 2.361 1.00 27.67 ? CD1 TYR 14 A 1 +ATOM 101 C CD2 TYR 14 . . A 1 -14.623 -6.596 1.509 1.00 28.26 ? CD2 TYR 14 A 1 +ATOM 102 C CE1 TYR 14 . . A 1 -13.004 -4.386 2.218 1.00 32.31 ? CE1 TYR 14 A 1 +ATOM 103 C CE2 TYR 14 . . A 1 -13.227 -6.638 1.337 1.00 29.33 ? CE2 TYR 14 A 1 +ATOM 104 C CZ TYR 14 . . A 1 -12.432 -5.558 1.750 1.00 29.08 ? CZ TYR 14 A 1 +ATOM 105 O OH TYR 14 . . A 1 -11.062 -5.599 1.565 1.00 38.4 ? OH TYR 14 A 1 +ATOM 106 N N GLN 15 A . A 1 -16.892 -3.469 4.544 0.50 20.48 ? N GLN 15 A 1 +ATOM 107 N N GLN 15 B . A 1 -16.975 -3.490 4.550 0.50 21.8 ? N GLN 15 A 1 +ATOM 108 C CA GLN 15 A . A 1 -16.359 -2.409 5.348 0.50 18.8 ? CA GLN 15 A 1 +ATOM 109 C CA GLN 15 B . A 1 -16.642 -2.266 5.296 0.50 22.18 ? CA GLN 15 A 1 +ATOM 110 C C GLN 15 A . A 1 -16.743 -2.585 6.822 0.50 15.73 ? C GLN 15 A 1 +ATOM 111 C C GLN 15 B . A 1 -16.912 -2.317 6.825 0.50 19.08 ? C GLN 15 A 1 +ATOM 112 O O GLN 15 A . A 1 -15.835 -2.404 7.614 0.50 17.63 ? O GLN 15 A 1 +ATOM 113 O O GLN 15 B . A 1 -16.263 -1.681 7.659 0.50 18.99 ? O GLN 15 A 1 +ATOM 114 C CB GLN 15 A . A 1 -16.787 -1.001 4.855 0.50 18.91 ? CB GLN 15 A 1 +ATOM 115 C CB GLN 15 B . A 1 -17.457 -1.089 4.706 0.50 23.62 ? CB GLN 15 A 1 +ATOM 116 C CG GLN 15 A . A 1 -16.278 -0.713 3.434 0.50 20.06 ? CG GLN 15 A 1 +ATOM 117 C CG GLN 15 B . A 1 -16.888 -0.606 3.342 0.50 28.03 ? CG GLN 15 A 1 +ATOM 118 C CD GLN 15 A . A 1 -16.613 0.692 2.972 0.50 19.71 ? CD GLN 15 A 1 +ATOM 119 C CD GLN 15 B . A 1 -15.463 -0.159 3.496 0.50 29.77 ? CD GLN 15 A 1 +ATOM 120 O OE1 GLN 15 A . A 1 -15.933 1.697 3.388 0.50 21.62 ? OE1 GLN 15 A 1 +ATOM 121 O OE1 GLN 15 B . A 1 -15.188 0.558 4.473 0.50 36.52 ? OE1 GLN 15 A 1 +ATOM 122 N NE2 GLN 15 A . A 1 -17.628 0.829 2.161 0.50 18.57 ? NE2 GLN 15 A 1 +ATOM 123 N NE2 GLN 15 B . A 1 -14.515 -0.628 2.613 0.50 33.05 ? NE2 GLN 15 A 1 +ATOM 124 N N LEU 16 . . A 1 -18.035 -2.917 7.115 1.00 18.3 ? N LEU 16 A 1 +ATOM 125 C CA LEU 16 . . A 1 -18.328 -3.119 8.565 1.00 17.28 ? CA LEU 16 A 1 +ATOM 126 C C LEU 16 . . A 1 -17.361 -4.053 9.219 1.00 18.25 ? C LEU 16 A 1 +ATOM 127 O O LEU 16 . . A 1 -16.940 -3.833 10.380 1.00 17.78 ? O LEU 16 A 1 +ATOM 128 C CB LEU 16 . . A 1 -19.749 -3.496 8.765 1.00 17.28 ? CB LEU 16 A 1 +ATOM 129 C CG LEU 16 . . A 1 -20.808 -2.513 8.473 1.00 18.7 ? CG LEU 16 A 1 +ATOM 130 C CD1 LEU 16 . . A 1 -22.148 -3.160 8.462 1.00 21.26 ? CD1 LEU 16 A 1 +ATOM 131 C CD2 LEU 16 . . A 1 -20.804 -1.397 9.537 1.00 21.79 ? CD2 LEU 16 A 1 +ATOM 132 N N GLU 17 . . A 1 -17.001 -5.199 8.579 1.00 16.2 ? N GLU 17 A 1 +ATOM 133 C CA GLU 17 . . A 1 -16.153 -6.129 9.169 1.00 16.34 ? CA GLU 17 A 1 +ATOM 134 C C GLU 17 . . A 1 -14.712 -5.637 9.485 1.00 16.77 ? C GLU 17 A 1 +ATOM 135 O O GLU 17 . . A 1 -14.071 -6.200 10.401 1.00 20.87 ? O GLU 17 A 1 +ATOM 136 C CB GLU 17 . . A 1 -16.102 -7.515 8.412 1.00 18.18 ? CB GLU 17 A 1 +ATOM 137 C CG GLU 17 . . A 1 -17.343 -8.285 8.549 1.00 17.72 ? CG GLU 17 A 1 +ATOM 138 C CD GLU 17 . . A 1 -17.246 -9.735 8.216 1.00 19.29 ? CD GLU 17 A 1 +ATOM 139 O OE1 GLU 17 . . A 1 -16.265 -10.191 7.587 1.00 19.71 ? OE1 GLU 17 A 1 +ATOM 140 O OE2 GLU 17 . . A 1 -18.138 -10.536 8.558 1.00 18.44 ? OE2 GLU 17 A 1 +ATOM 141 N N ASN 18 . . A 1 -14.358 -4.613 8.768 1.00 18.59 ? N ASN 18 A 1 +ATOM 142 C CA ASN 18 . . A 1 -13.064 -3.995 9.045 1.00 20.01 ? CA ASN 18 A 1 +ATOM 143 C C ASN 18 . . A 1 -13.014 -3.396 10.447 1.00 21.85 ? C ASN 18 A 1 +ATOM 144 O O ASN 18 . . A 1 -11.922 -3.175 10.966 1.00 25.24 ? O ASN 18 A 1 +ATOM 145 C CB ASN 18 . . A 1 -12.729 -2.931 8.076 1.00 24.35 ? CB ASN 18 A 1 +ATOM 146 C CG ASN 18 . . A 1 -12.174 -3.488 6.750 1.00 29.37 ? CG ASN 18 A 1 +ATOM 147 O OD1 ASN 18 . . A 1 -11.645 -4.602 6.709 1.00 29.64 ? OD1 ASN 18 A 1 +ATOM 148 N ND2 ASN 18 . . A 1 -12.390 -2.766 5.770 1.00 30.51 ? ND2 ASN 18 A 1 +ATOM 149 N N TYR 19 . . A 1 -14.176 -3.086 11.027 1.00 19.17 ? N TYR 19 A 1 +ATOM 150 C CA TYR 19 . . A 1 -14.242 -2.513 12.399 1.00 22.03 ? CA TYR 19 A 1 +ATOM 151 C C TYR 19 . . A 1 -14.505 -3.541 13.452 1.00 18.85 ? C TYR 19 A 1 +ATOM 152 O O TYR 19 . . A 1 -14.563 -3.170 14.677 1.00 22.53 ? O TYR 19 A 1 +ATOM 153 C CB TYR 19 . . A 1 -15.224 -1.355 12.414 1.00 16.02 ? CB TYR 19 A 1 +ATOM 154 C CG TYR 19 . . A 1 -14.925 -0.240 11.534 1.00 21.6 ? CG TYR 19 A 1 +ATOM 155 C CD1 TYR 19 . . A 1 -13.945 0.695 11.905 1.00 24.79 ? CD1 TYR 19 A 1 +ATOM 156 C CD2 TYR 19 . . A 1 -15.409 -0.230 10.240 1.00 24.2 ? CD2 TYR 19 A 1 +ATOM 157 C CE1 TYR 19 . . A 1 -13.613 1.666 11.022 1.00 28.99 ? CE1 TYR 19 A 1 +ATOM 158 C CE2 TYR 19 . . A 1 -15.011 0.756 9.339 1.00 25.55 ? CE2 TYR 19 A 1 +ATOM 159 C CZ TYR 19 . . A 1 -14.113 1.686 9.801 1.00 26.71 ? CZ TYR 19 A 1 +ATOM 160 O OH TYR 19 . . A 1 -13.679 2.736 8.993 1.00 37.55 ? OH TYR 19 A 1 +ATOM 161 N N CYS 20 . . A 1 -14.644 -4.866 13.218 1.00 18.92 ? N CYS 20 A 1 +ATOM 162 C CA CYS 20 . . A 1 -14.758 -5.871 14.196 1.00 19.59 ? CA CYS 20 A 1 +ATOM 163 C C CYS 20 . . A 1 -13.373 -6.110 14.819 1.00 24.37 ? C CYS 20 A 1 +ATOM 164 O O CYS 20 . . A 1 -12.310 -5.913 14.152 1.00 25.1 ? O CYS 20 A 1 +ATOM 165 C CB CYS 20 . . A 1 -15.251 -7.134 13.572 1.00 21.77 ? CB CYS 20 A 1 +ATOM 166 S SG CYS 20 . . A 1 -16.780 -7.148 12.791 1.00 19.5 ? SG CYS 20 A 1 +ATOM 167 N N ASN 21 . . A 1 -13.350 -6.435 16.109 1.00 25.53 ? N ASN 21 A 1 +ATOM 168 C CA ASN 21 . . A 1 -12.078 -6.782 16.762 1.00 29.23 ? CA ASN 21 A 1 +ATOM 169 C C ASN 21 . . A 1 -11.669 -8.192 16.221 1.00 33.18 ? C ASN 21 A 1 +ATOM 170 O O ASN 21 . . A 1 -12.490 -9.019 15.696 1.00 31.89 ? O ASN 21 A 1 +ATOM 171 C CB ASN 21 . . A 1 -12.241 -6.781 18.324 1.00 28.3 ? CB ASN 21 A 1 +ATOM 172 C CG ASN 21 . . A 1 -12.539 -5.443 18.881 1.00 25.98 ? CG ASN 21 A 1 +ATOM 173 O OD1 ASN 21 . . A 1 -12.008 -4.443 18.514 1.00 30.1 ? OD1 ASN 21 A 1 +ATOM 174 N ND2 ASN 21 . . A 1 -13.524 -5.434 19.797 1.00 26.16 ? ND2 ASN 21 A 1 +ATOM 175 O OXT ASN 21 . . A 1 -10.505 -8.485 16.513 1.00 41.51 ? OXT ASN 21 A 1 +ATOM 176 N N PHE 1 . . B 2 -29.772 -5.780 5.834 1.00 38.71 ? N PHE 1 B 1 +ATOM 177 C CA PHE 1 . . B 2 -29.805 -4.649 6.773 1.00 39.79 ? CA PHE 1 B 1 +ATOM 178 C C PHE 1 . . B 2 -28.498 -3.904 6.503 1.00 26.85 ? C PHE 1 B 1 +ATOM 179 O O PHE 1 . . B 2 -28.444 -2.691 6.896 1.00 37.19 ? O PHE 1 B 1 +ATOM 180 C CB PHE 1 . . B 2 -29.994 -5.044 8.323 1.00 43.34 ? CB PHE 1 B 1 +ATOM 181 C CG PHE 1 . . B 2 -28.966 -6.025 8.871 1.00 38.87 ? CG PHE 1 B 1 +ATOM 182 C CD1 PHE 1 . . B 2 -28.952 -7.354 8.504 1.00 46.54 ? CD1 PHE 1 B 1 +ATOM 183 C CD2 PHE 1 . . B 2 -28.008 -5.601 9.707 1.00 41.03 ? CD2 PHE 1 B 1 +ATOM 184 C CE1 PHE 1 . . B 2 -28.000 -8.247 8.968 1.00 42.83 ? CE1 PHE 1 B 1 +ATOM 185 C CE2 PHE 1 . . B 2 -27.058 -6.494 10.176 1.00 35.35 ? CE2 PHE 1 B 1 +ATOM 186 C CZ PHE 1 . . B 2 -27.051 -7.786 9.826 1.00 37.65 ? CZ PHE 1 B 1 +ATOM 187 N N VAL 2 . . B 2 -27.443 -4.520 5.880 1.00 26.07 ? N VAL 2 B 1 +ATOM 188 C CA VAL 2 . . B 2 -26.184 -3.749 5.860 1.00 24.37 ? CA VAL 2 B 1 +ATOM 189 C C VAL 2 . . B 2 -25.927 -2.842 4.641 1.00 26.34 ? C VAL 2 B 1 +ATOM 190 O O VAL 2 . . B 2 -25.167 -1.898 4.716 1.00 23.8 ? O VAL 2 B 1 +ATOM 191 C CB VAL 2 . . B 2 -24.920 -4.525 6.120 1.00 25.6 ? CB VAL 2 B 1 +ATOM 192 C CG1 VAL 2 . . B 2 -25.055 -5.372 7.435 1.00 25.82 ? CG1 VAL 2 B 1 +ATOM 193 C CG2 VAL 2 . . B 2 -24.596 -5.467 5.001 1.00 33.14 ? CG2 VAL 2 B 1 +ATOM 194 N N ASN 3 . . B 2 -26.684 -3.084 3.558 1.00 25.81 ? N ASN 3 B 1 +ATOM 195 C CA ASN 3 . . B 2 -26.338 -2.440 2.294 1.00 28.23 ? CA ASN 3 B 1 +ATOM 196 C C ASN 3 . . B 2 -27.246 -1.237 2.066 1.00 30.5 ? C ASN 3 B 1 +ATOM 197 O O ASN 3 . . B 2 -28.067 -1.155 1.198 1.00 33.05 ? O ASN 3 B 1 +ATOM 198 C CB ASN 3 . . B 2 -26.316 -3.440 1.090 1.00 26.28 ? CB ASN 3 B 1 +ATOM 199 C CG ASN 3 . . B 2 -25.259 -4.488 1.232 1.00 20.47 ? CG ASN 3 B 1 +ATOM 200 O OD1 ASN 3 . . B 2 -25.712 -5.700 1.580 1.00 33.2 ? OD1 ASN 3 B 1 +ATOM 201 N ND2 ASN 3 . . B 2 -24.095 -4.281 1.024 1.00 22.48 ? ND2 ASN 3 B 1 +ATOM 202 N N GLN 4 . . B 2 -27.135 -0.271 2.982 1.00 23.92 ? N GLN 4 B 1 +ATOM 203 C CA GLN 4 . . B 2 -27.941 0.932 2.997 1.00 23.43 ? CA GLN 4 B 1 +ATOM 204 C C GLN 4 . . B 2 -27.190 1.998 3.803 1.00 21.48 ? C GLN 4 B 1 +ATOM 205 O O GLN 4 . . B 2 -26.077 1.786 4.307 1.00 21.53 ? O GLN 4 B 1 +ATOM 206 C CB GLN 4 . . B 2 -29.307 0.683 3.574 1.00 30.39 ? CB GLN 4 B 1 +ATOM 207 C CG GLN 4 . . B 2 -29.202 0.204 5.027 1.00 32.69 ? CG GLN 4 B 1 +ATOM 208 C CD GLN 4 . . B 2 -30.545 -0.130 5.737 1.00 48.57 ? CD GLN 4 B 1 +ATOM 209 O OE1 GLN 4 . . B 2 -30.746 -1.235 6.299 1.00 49.07 ? OE1 GLN 4 B 1 +ATOM 210 N NE2 GLN 4 . . B 2 -31.422 0.842 5.796 1.00 45.24 ? NE2 GLN 4 B 1 +ATOM 211 N N HIS 5 . . B 2 -27.759 3.195 3.809 1.00 23.52 ? N HIS 5 B 1 +ATOM 212 C CA HIS 5 . . B 2 -27.222 4.304 4.663 1.00 21.49 ? CA HIS 5 B 1 +ATOM 213 C C HIS 5 . . B 2 -27.611 4.064 6.160 1.00 22.96 ? C HIS 5 B 1 +ATOM 214 O O HIS 5 . . B 2 -28.768 3.780 6.435 1.00 25.35 ? O HIS 5 B 1 +ATOM 215 C CB HIS 5 . . B 2 -27.910 5.614 4.298 1.00 24.06 ? CB HIS 5 B 1 +ATOM 216 C CG HIS 5 . . B 2 -27.660 6.097 2.874 1.00 25.52 ? CG HIS 5 B 1 +ATOM 217 N ND1 HIS 5 . . B 2 -26.571 6.838 2.541 1.00 29.29 ? ND1 HIS 5 B 1 +ATOM 218 C CD2 HIS 5 . . B 2 -28.345 5.886 1.738 1.00 29.95 ? CD2 HIS 5 B 1 +ATOM 219 C CE1 HIS 5 . . B 2 -26.589 7.085 1.225 1.00 29.36 ? CE1 HIS 5 B 1 +ATOM 220 N NE2 HIS 5 . . B 2 -27.644 6.508 0.743 1.00 29.26 ? NE2 HIS 5 B 1 +ATOM 221 N N LEU 6 . . B 2 -26.598 3.917 6.938 1.00 20.77 ? N LEU 6 B 1 +ATOM 222 C CA LEU 6 . . B 2 -26.687 3.585 8.415 1.00 19.53 ? CA LEU 6 B 1 +ATOM 223 C C LEU 6 . . B 2 -25.975 4.704 9.170 1.00 18.59 ? C LEU 6 B 1 +ATOM 224 O O LEU 6 . . B 2 -24.801 4.936 9.112 1.00 19.62 ? O LEU 6 B 1 +ATOM 225 C CB LEU 6 . . B 2 -26.022 2.239 8.643 1.00 20.76 ? CB LEU 6 B 1 +ATOM 226 C CG LEU 6 . . B 2 -26.576 1.028 7.938 1.00 20.81 ? CG LEU 6 B 1 +ATOM 227 C CD1 LEU 6 . . B 2 -25.623 -0.090 8.033 1.00 23.72 ? CD1 LEU 6 B 1 +ATOM 228 C CD2 LEU 6 . . B 2 -27.925 0.835 8.466 1.00 26.47 ? CD2 LEU 6 B 1 +ATOM 229 N N CYS 7 . . B 2 -26.784 5.491 9.984 1.00 19.64 ? N CYS 7 B 1 +ATOM 230 C CA CYS 7 . . B 2 -26.280 6.612 10.662 1.00 21.46 ? CA CYS 7 B 1 +ATOM 231 C C CYS 7 . . B 2 -26.494 6.556 12.219 1.00 16.78 ? C CYS 7 B 1 +ATOM 232 O O CYS 7 . . B 2 -27.487 5.953 12.588 1.00 19.55 ? O CYS 7 B 1 +ATOM 233 C CB CYS 7 . . B 2 -26.878 7.936 10.187 1.00 21.05 ? CB CYS 7 B 1 +ATOM 234 S SG CYS 7 . . B 2 -26.544 8.265 8.367 1.00 27.52 ? SG CYS 7 B 1 +HETATM 235 N N DPR 8 . . B 2 -25.569 7.080 12.916 1.00 15.79 ? N DPR 8 B 1 +HETATM 236 C CA DPR 8 . . B 2 -25.725 7.157 14.406 1.00 18.6 ? CA DPR 8 B 1 +HETATM 237 C CB DPR 8 . . B 2 -24.466 7.728 14.888 1.00 19.4 ? CB DPR 8 B 1 +HETATM 238 C CG DPR 8 . . B 2 -23.957 8.582 13.715 1.00 23.64 ? CG DPR 8 B 1 +HETATM 239 C CD DPR 8 . . B 2 -24.334 7.741 12.534 1.00 20.47 ? CD DPR 8 B 1 +HETATM 240 C C DPR 8 . . B 2 -26.017 5.820 15.001 1.00 16.31 ? C DPR 8 B 1 +HETATM 241 O O DPR 8 . . B 2 -25.287 4.825 14.786 1.00 16.93 ? O DPR 8 B 1 +ATOM 242 N N SER 9 . . B 2 -27.062 5.681 15.842 1.00 15.98 ? N SER 9 B 1 +ATOM 243 C CA SER 9 . . B 2 -27.368 4.435 16.512 1.00 15.26 ? CA SER 9 B 1 +ATOM 244 C C SER 9 . . B 2 -27.618 3.281 15.539 1.00 16.67 ? C SER 9 B 1 +ATOM 245 O O SER 9 . . B 2 -27.413 2.145 15.949 1.00 16.35 ? O SER 9 B 1 +ATOM 246 C CB SER 9 . . B 2 -28.499 4.623 17.505 1.00 16.99 ? CB SER 9 B 1 +ATOM 247 O OG SER 9 . . B 2 -29.735 4.799 16.897 1.00 19.66 ? OG SER 9 B 1 +ATOM 248 N N HIS 10 . . B 2 -28.103 3.621 14.353 1.00 17.85 ? N HIS 10 B 1 +ATOM 249 C CA HIS 10 . . B 2 -28.387 2.613 13.318 1.00 17.96 ? CA HIS 10 B 1 +ATOM 250 C C HIS 10 . . B 2 -27.061 1.970 12.857 1.00 16.48 ? C HIS 10 B 1 +ATOM 251 O O HIS 10 . . B 2 -27.069 0.735 12.580 1.00 18.62 ? O HIS 10 B 1 +ATOM 252 C CB HIS 10 . . B 2 -29.143 3.219 12.165 1.00 18.93 ? CB HIS 10 B 1 +ATOM 253 C CG HIS 10 . . B 2 -30.444 3.860 12.518 1.00 21.53 ? CG HIS 10 B 1 +ATOM 254 N ND1 HIS 10 . . B 2 -31.324 4.323 11.557 1.00 29.73 ? ND1 HIS 10 B 1 +ATOM 255 C CD2 HIS 10 . . B 2 -30.978 4.190 13.704 1.00 20.45 ? CD2 HIS 10 B 1 +ATOM 256 C CE1 HIS 10 . . B 2 -32.417 4.772 12.163 1.00 23.84 ? CE1 HIS 10 B 1 +ATOM 257 N NE2 HIS 10 . . B 2 -32.224 4.762 13.477 1.00 22.96 ? NE2 HIS 10 B 1 +ATOM 258 N N LEU 11 . . B 2 -26.055 2.746 12.698 1.00 17.14 ? N LEU 11 B 1 +ATOM 259 C CA LEU 11 . . B 2 -24.741 2.261 12.344 1.00 17.34 ? CA LEU 11 B 1 +ATOM 260 C C LEU 11 . . B 2 -24.157 1.427 13.465 1.00 16.88 ? C LEU 11 B 1 +ATOM 261 O O LEU 11 . . B 2 -23.569 0.292 13.219 1.00 15.79 ? O LEU 11 B 1 +ATOM 262 C CB LEU 11 . . B 2 -23.821 3.392 12.012 1.00 17.83 ? CB LEU 11 B 1 +ATOM 263 C CG LEU 11 . . B 2 -22.357 3.125 11.630 1.00 18.19 ? CG LEU 11 B 1 +ATOM 264 C CD1 LEU 11 . . B 2 -22.274 2.116 10.470 1.00 18.98 ? CD1 LEU 11 B 1 +ATOM 265 C CD2 LEU 11 . . B 2 -21.769 4.468 11.291 1.00 21.63 ? CD2 LEU 11 B 1 +ATOM 266 N N VAL 12 . . B 2 -24.244 1.890 14.747 1.00 15.38 ? N VAL 12 B 1 +ATOM 267 C CA VAL 12 . . B 2 -23.763 1.104 15.815 1.00 15.96 ? CA VAL 12 B 1 +ATOM 268 C C VAL 12 . . B 2 -24.481 -0.226 15.975 1.00 14.16 ? C VAL 12 B 1 +ATOM 269 O O VAL 12 . . B 2 -23.878 -1.247 16.226 1.00 15.53 ? O VAL 12 B 1 +ATOM 270 C CB VAL 12 . . B 2 -23.881 1.983 17.136 1.00 16.16 ? CB VAL 12 B 1 +ATOM 271 C CG1 VAL 12 . . B 2 -23.558 1.132 18.358 1.00 17.94 ? CG1 VAL 12 B 1 +ATOM 272 C CG2 VAL 12 . . B 2 -22.928 3.186 17.055 1.00 18.39 ? CG2 VAL 12 B 1 +ATOM 273 N N GLU 13 . . B 2 -25.798 -0.227 15.763 1.00 15.12 ? N GLU 13 B 1 +ATOM 274 C CA GLU 13 . . B 2 -26.566 -1.502 15.711 1.00 17.18 ? CA GLU 13 B 1 +ATOM 275 C C GLU 13 . . B 2 -26.022 -2.525 14.666 1.00 14.55 ? C GLU 13 B 1 +ATOM 276 O O GLU 13 . . B 2 -25.917 -3.716 14.973 1.00 16.13 ? O GLU 13 B 1 +ATOM 277 C CB GLU 13 . . B 2 -28.015 -1.161 15.493 1.00 18.73 ? CB GLU 13 B 1 +ATOM 278 C CG GLU 13 . . B 2 -28.883 -2.383 15.429 1.00 23.7 ? CG GLU 13 B 1 +ATOM 279 C CD GLU 13 . . B 2 -30.411 -2.058 15.646 1.00 26.63 ? CD GLU 13 B 1 +ATOM 280 O OE1 GLU 13 . . B 2 -30.807 -1.583 16.770 1.00 29.68 ? OE1 GLU 13 B 1 +ATOM 281 O OE2 GLU 13 . . B 2 -31.030 -2.280 14.627 1.00 34.61 ? OE2 GLU 13 B 1 +ATOM 282 N N ALA 14 . . B 2 -25.766 -1.986 13.477 1.00 16.18 ? N ALA 14 B 1 +ATOM 283 C CA ALA 14 . . B 2 -25.205 -2.910 12.459 1.00 15.69 ? CA ALA 14 B 1 +ATOM 284 C C ALA 14 . . B 2 -23.892 -3.417 12.762 1.00 16.37 ? C ALA 14 B 1 +ATOM 285 O O ALA 14 . . B 2 -23.623 -4.636 12.595 1.00 16.78 ? O ALA 14 B 1 +ATOM 286 C CB ALA 14 . . B 2 -25.155 -2.144 11.149 1.00 18.49 ? CB ALA 14 B 1 +ATOM 287 N N LEU 15 . . B 2 -22.988 -2.654 13.315 1.00 15.65 ? N LEU 15 B 1 +ATOM 288 C CA LEU 15 . . B 2 -21.665 -3.154 13.801 1.00 15.59 ? CA LEU 15 B 1 +ATOM 289 C C LEU 15 . . B 2 -21.829 -4.222 14.832 1.00 15.45 ? C LEU 15 B 1 +ATOM 290 O O LEU 15 . . B 2 -21.183 -5.251 14.863 1.00 17.37 ? O LEU 15 B 1 +ATOM 291 C CB LEU 15 . . B 2 -20.805 -2.011 14.388 1.00 16.66 ? CB LEU 15 B 1 +ATOM 292 C CG LEU 15 . . B 2 -20.132 -1.025 13.436 1.00 19.63 ? CG LEU 15 B 1 +ATOM 293 C CD1 LEU 15 . . B 2 -19.663 0.251 14.174 1.00 19.57 ? CD1 LEU 15 B 1 +ATOM 294 C CD2 LEU 15 . . B 2 -18.938 -1.745 12.730 1.00 21.2 ? CD2 LEU 15 B 1 +ATOM 295 N N TYR 16 . . B 2 -22.748 -3.972 15.830 1.00 16.03 ? N TYR 16 B 1 +ATOM 296 C CA TYR 16 . . B 2 -22.998 -4.944 16.851 1.00 16.5 ? CA TYR 16 B 1 +ATOM 297 C C TYR 16 . . B 2 -23.469 -6.291 16.290 1.00 15.38 ? C TYR 16 B 1 +ATOM 298 O O TYR 16 . . B 2 -22.928 -7.340 16.686 1.00 17.36 ? O TYR 16 B 1 +ATOM 299 C CB TYR 16 . . B 2 -24.107 -4.339 17.773 1.00 16.05 ? CB TYR 16 B 1 +ATOM 300 C CG TYR 16 . . B 2 -24.616 -5.373 18.823 1.00 16.28 ? CG TYR 16 B 1 +ATOM 301 C CD1 TYR 16 . . B 2 -23.838 -5.858 19.879 1.00 16.95 ? CD1 TYR 16 B 1 +ATOM 302 C CD2 TYR 16 . . B 2 -25.888 -5.816 18.753 1.00 15.68 ? CD2 TYR 16 B 1 +ATOM 303 C CE1 TYR 16 . . B 2 -24.320 -6.853 20.725 1.00 18.12 ? CE1 TYR 16 B 1 +ATOM 304 C CE2 TYR 16 . . B 2 -26.434 -6.789 19.559 1.00 16.51 ? CE2 TYR 16 B 1 +ATOM 305 C CZ TYR 16 . . B 2 -25.632 -7.272 20.610 1.00 17.28 ? CZ TYR 16 B 1 +ATOM 306 O OH TYR 16 . . B 2 -26.154 -8.206 21.475 1.00 17.96 ? OH TYR 16 B 1 +ATOM 307 N N LEU 17 . . B 2 -24.442 -6.196 15.352 1.00 14.83 ? N LEU 17 B 1 +ATOM 308 C CA LEU 17 . . B 2 -25.036 -7.445 14.763 1.00 16.39 ? CA LEU 17 B 1 +ATOM 309 C C LEU 17 . . B 2 -23.944 -8.197 13.877 1.00 18.29 ? C LEU 17 B 1 +ATOM 310 O O LEU 17 . . B 2 -23.814 -9.426 13.978 1.00 20.18 ? O LEU 17 B 1 +ATOM 311 C CB LEU 17 . . B 2 -26.300 -7.070 13.905 1.00 18.1 ? CB LEU 17 B 1 +ATOM 312 C CG LEU 17 . . B 2 -27.421 -6.682 14.811 1.00 19.5 ? CG LEU 17 B 1 +ATOM 313 C CD1 LEU 17 . . B 2 -28.569 -6.231 13.957 1.00 22.23 ? CD1 LEU 17 B 1 +ATOM 314 C CD2 LEU 17 . . B 2 -27.842 -7.847 15.695 1.00 22.56 ? CD2 LEU 17 B 1 +ATOM 315 N N VAL 18 . . B 2 -23.223 -7.485 13.115 1.00 17.09 ? N VAL 18 B 1 +ATOM 316 C CA VAL 18 . . B 2 -22.186 -8.103 12.180 1.00 17.7 ? CA VAL 18 B 1 +ATOM 317 C C VAL 18 . . B 2 -21.047 -8.710 12.954 1.00 18.58 ? C VAL 18 B 1 +ATOM 318 O O VAL 18 . . B 2 -20.543 -9.820 12.675 1.00 19.9 ? O VAL 18 B 1 +ATOM 319 C CB VAL 18 . . B 2 -21.670 -7.004 11.186 1.00 19.15 ? CB VAL 18 B 1 +ATOM 320 C CG1 VAL 18 . . B 2 -20.311 -7.410 10.531 1.00 19.59 ? CG1 VAL 18 B 1 +ATOM 321 C CG2 VAL 18 . . B 2 -22.741 -6.716 10.168 1.00 21.81 ? CG2 VAL 18 B 1 +ATOM 322 N N CYS 19 . . B 2 -20.578 -8.019 14.003 1.00 15.8 ? N CYS 19 B 1 +ATOM 323 C CA CYS 19 . . B 2 -19.372 -8.364 14.749 1.00 16.37 ? CA CYS 19 B 1 +ATOM 324 C C CYS 19 . . B 2 -19.575 -9.451 15.789 1.00 20.55 ? C CYS 19 B 1 +ATOM 325 O O CYS 19 . . B 2 -18.565 -10.052 16.181 1.00 22.95 ? O CYS 19 B 1 +ATOM 326 C CB CYS 19 . . B 2 -18.642 -7.119 15.223 1.00 18.72 ? CB CYS 19 B 1 +ATOM 327 S SG CYS 19 . . B 2 -18.073 -6.029 13.935 1.00 17.5 ? SG CYS 19 B 1 +ATOM 328 N N GLY 20 . . B 2 -20.753 -9.561 16.291 1.00 21.89 ? N GLY 20 B 1 +ATOM 329 C CA GLY 20 . . B 2 -21.088 -10.605 17.297 1.00 26.99 ? CA GLY 20 B 1 +ATOM 330 C C GLY 20 . . B 2 -20.173 -10.624 18.502 1.00 29.1 ? C GLY 20 B 1 +ATOM 331 O O GLY 20 . . B 2 -19.873 -9.559 19.064 1.00 26.63 ? O GLY 20 B 1 +ATOM 332 N N GLU 21 . . B 2 -19.595 -11.790 18.836 1.00 28.28 ? N GLU 21 B 1 +ATOM 333 C CA GLU 21 . . B 2 -18.902 -11.996 20.087 1.00 31.32 ? CA GLU 21 B 1 +ATOM 334 C C GLU 21 . . B 2 -17.536 -11.360 20.086 1.00 28.7 ? C GLU 21 B 1 +ATOM 335 O O GLU 21 . . B 2 -16.929 -11.218 21.123 1.00 35.56 ? O GLU 21 B 1 +ATOM 336 C CB GLU 21 . . B 2 -18.841 -13.520 20.387 1.00 34.83 ? CB GLU 21 B 1 +ATOM 337 C CG GLU 21 . . B 2 -17.607 -14.263 19.872 1.00 45.1 ? CG GLU 21 B 1 +ATOM 338 N N ARG 22 . . B 2 -17.042 -10.926 18.897 1.00 28.89 ? N ARG 22 B 1 +ATOM 339 C CA ARG 22 A . B 2 -15.753 -10.243 18.775 0.50 29.14 ? CA ARG 22 B 1 +ATOM 340 C CA ARG 22 B . B 2 -15.743 -10.225 18.736 0.50 30.45 ? CA ARG 22 B 1 +ATOM 341 C C ARG 22 . . B 2 -15.839 -8.774 19.275 1.00 26.52 ? C ARG 22 B 1 +ATOM 342 O O ARG 22 . . B 2 -14.845 -8.158 19.732 1.00 27.46 ? O ARG 22 B 1 +ATOM 343 C CB ARG 22 A . B 2 -15.316 -10.266 17.313 0.50 33.06 ? CB ARG 22 B 1 +ATOM 344 C CB ARG 22 B . B 2 -15.311 -10.100 17.250 0.50 36.51 ? CB ARG 22 B 1 +ATOM 345 C CG ARG 22 A . B 2 -15.397 -11.658 16.684 0.50 36.04 ? CG ARG 22 B 1 +ATOM 346 C CG ARG 22 B . B 2 -15.324 -11.340 16.354 0.50 42.26 ? CG ARG 22 B 1 +ATOM 347 C CD ARG 22 B . B 2 -14.171 -12.302 16.618 0.50 44.13 ? CD ARG 22 B 1 +ATOM 348 N NE ARG 22 B . B 2 -12.840 -11.760 16.384 0.50 44.7 ? NE ARG 22 B 1 +ATOM 349 C CZ ARG 22 B . B 2 -11.870 -11.807 17.283 0.50 47.19 ? CZ ARG 22 B 1 +ATOM 350 N NH1 ARG 22 B . B 2 -12.096 -12.345 18.462 0.50 52.15 ? NH1 ARG 22 B 1 +ATOM 351 N NH2 ARG 22 B . B 2 -10.676 -11.324 17.009 0.50 46.44 ? NH2 ARG 22 B 1 +ATOM 352 N N GLY 23 . . B 2 -17.021 -8.185 19.180 1.00 23.5 ? N GLY 23 B 1 +ATOM 353 C CA GLY 23 . . B 2 -17.144 -6.769 19.345 1.00 22.26 ? CA GLY 23 B 1 +ATOM 354 C C GLY 23 . . B 2 -16.486 -5.957 18.283 1.00 19.64 ? C GLY 23 B 1 +ATOM 355 O O GLY 23 . . B 2 -16.062 -6.507 17.200 1.00 19.65 ? O GLY 23 B 1 +ATOM 356 N N PHE 24 . . B 2 -16.378 -4.648 18.468 1.00 18.16 ? N PHE 24 B 1 +ATOM 357 C CA PHE 24 . . B 2 -15.972 -3.758 17.498 1.00 17.39 ? CA PHE 24 B 1 +ATOM 358 C C PHE 24 . . B 2 -15.424 -2.453 17.966 1.00 19.07 ? C PHE 24 B 1 +ATOM 359 O O PHE 24 . . B 2 -15.564 -2.201 19.210 1.00 20.41 ? O PHE 24 B 1 +ATOM 360 C CB PHE 24 . . B 2 -17.165 -3.428 16.509 1.00 17.43 ? CB PHE 24 B 1 +ATOM 361 C CG PHE 24 . . B 2 -18.385 -2.869 17.258 1.00 16.53 ? CG PHE 24 B 1 +ATOM 362 C CD1 PHE 24 . . B 2 -19.335 -3.638 17.829 1.00 18.44 ? CD1 PHE 24 B 1 +ATOM 363 C CD2 PHE 24 . . B 2 -18.435 -1.499 17.396 1.00 18.33 ? CD2 PHE 24 B 1 +ATOM 364 C CE1 PHE 24 . . B 2 -20.388 -3.065 18.536 1.00 18.24 ? CE1 PHE 24 B 1 +ATOM 365 C CE2 PHE 24 . . B 2 -19.511 -0.874 18.100 1.00 20.98 ? CE2 PHE 24 B 1 +ATOM 366 C CZ PHE 24 . . B 2 -20.462 -1.708 18.616 1.00 17.79 ? CZ PHE 24 B 1 +ATOM 367 N N PHE 25 . . B 2 -14.837 -1.634 17.181 1.00 20.52 ? N PHE 25 B 1 +ATOM 368 C CA PHE 25 . . B 2 -14.532 -0.244 17.515 1.00 20.41 ? CA PHE 25 B 1 +ATOM 369 C C PHE 25 . . B 2 -15.312 0.709 16.721 1.00 20.55 ? C PHE 25 B 1 +ATOM 370 O O PHE 25 . . B 2 -15.429 0.518 15.450 1.00 22.1 ? O PHE 25 B 1 +ATOM 371 C CB PHE 25 . . B 2 -13.044 0.039 17.441 1.00 26.15 ? CB PHE 25 B 1 +ATOM 372 C CG PHE 25 . . B 2 -12.406 -0.370 16.274 1.00 30.96 ? CG PHE 25 B 1 +ATOM 373 C CD1 PHE 25 . . B 2 -12.010 -1.743 16.119 1.00 36.66 ? CD1 PHE 25 B 1 +ATOM 374 C CD2 PHE 25 . . B 2 -12.071 0.576 15.294 1.00 41.71 ? CD2 PHE 25 B 1 +ATOM 375 C CE1 PHE 25 . . B 2 -11.319 -2.162 14.963 1.00 40.11 ? CE1 PHE 25 B 1 +ATOM 376 C CE2 PHE 25 . . B 2 -11.364 0.141 14.127 1.00 42.79 ? CE2 PHE 25 B 1 +ATOM 377 C CZ PHE 25 . . B 2 -11.017 -1.199 13.959 1.00 39.28 ? CZ PHE 25 B 1 +ATOM 378 N N TYR 26 . . B 2 -15.921 1.767 17.239 1.00 18.35 ? N TYR 26 B 1 +ATOM 379 C CA TYR 26 . . B 2 -16.729 2.747 16.649 1.00 18.44 ? CA TYR 26 B 1 +ATOM 380 C C TYR 26 . . B 2 -16.055 4.053 16.802 1.00 20.84 ? C TYR 26 B 1 +ATOM 381 O O TYR 26 . . B 2 -15.939 4.598 17.933 1.00 21.24 ? O TYR 26 B 1 +ATOM 382 C CB TYR 26 . . B 2 -18.136 2.747 17.217 1.00 20.09 ? CB TYR 26 B 1 +ATOM 383 C CG TYR 26 . . B 2 -18.993 3.881 16.773 1.00 20.24 ? CG TYR 26 B 1 +ATOM 384 C CD1 TYR 26 . . B 2 -19.281 4.090 15.415 1.00 20.25 ? CD1 TYR 26 B 1 +ATOM 385 C CD2 TYR 26 . . B 2 -19.485 4.855 17.645 1.00 21.56 ? CD2 TYR 26 B 1 +ATOM 386 C CE1 TYR 26 . . B 2 -20.003 5.154 14.988 1.00 22.43 ? CE1 TYR 26 B 1 +ATOM 387 C CE2 TYR 26 . . B 2 -20.242 5.882 17.209 1.00 20.54 ? CE2 TYR 26 B 1 +ATOM 388 C CZ TYR 26 . . B 2 -20.493 6.090 15.900 1.00 21.55 ? CZ TYR 26 B 1 +ATOM 389 O OH TYR 26 . . B 2 -21.251 7.177 15.485 1.00 27.84 ? OH TYR 26 B 1 +ATOM 390 N N THR 27 . . B 2 -15.481 4.585 15.725 1.00 24.69 ? N THR 27 B 1 +ATOM 391 C CA THR 27 A . B 2 -14.576 5.689 15.698 0.50 24.41 ? CA THR 27 B 1 +ATOM 392 C CA THR 27 B . B 2 -14.662 5.752 15.798 0.50 29.51 ? CA THR 27 B 1 +ATOM 393 C C THR 27 . . B 2 -15.095 6.699 14.695 1.00 30.08 ? C THR 27 B 1 +ATOM 394 O O THR 27 . . B 2 -14.426 6.857 13.633 1.00 31.93 ? O THR 27 B 1 +ATOM 395 C CB THR 27 A . B 2 -13.177 5.206 15.216 0.50 22.73 ? CB THR 27 B 1 +ATOM 396 C CB THR 27 B . B 2 -13.167 5.448 15.814 0.50 35 ? CB THR 27 B 1 +ATOM 397 O OG1 THR 27 A . B 2 -13.277 4.491 13.941 0.50 27 ? OG1 THR 27 B 1 +ATOM 398 O OG1 THR 27 B . B 2 -12.481 6.674 15.620 0.50 37.72 ? OG1 THR 27 B 1 +ATOM 399 C CG2 THR 27 A . B 2 -12.567 4.265 16.307 0.50 20.48 ? CG2 THR 27 B 1 +ATOM 400 C CG2 THR 27 B . B 2 -12.757 4.415 14.731 0.50 37.85 ? CG2 THR 27 B 1 +ATOM 401 N N PRO 28 . . B 2 -16.186 7.391 14.964 1.00 25.18 ? N PRO 28 B 1 +ATOM 402 C CA PRO 28 . . B 2 -16.831 8.402 14.095 1.00 30.57 ? CA PRO 28 B 1 +ATOM 403 C C PRO 28 . . B 2 -15.963 9.648 13.730 1.00 33.05 ? C PRO 28 B 1 +ATOM 404 O O PRO 28 . . B 2 -16.275 10.288 12.719 1.00 33.74 ? O PRO 28 B 1 +ATOM 405 C CB PRO 28 . . B 2 -18.113 8.779 14.816 1.00 27.96 ? CB PRO 28 B 1 +ATOM 406 C CG PRO 28 . . B 2 -17.748 8.569 16.274 1.00 25.66 ? CG PRO 28 B 1 +ATOM 407 C CD PRO 28 . . B 2 -16.894 7.339 16.280 1.00 25.27 ? CD PRO 28 B 1 +ATOM 408 N N LYS 29 . . B 2 -15.004 9.888 14.626 1.00 39.68 ? N LYS 29 B 1 +ATOM 409 C CA LYS 29 A . B 2 -14.003 10.988 14.584 0.50 49.52 ? CA LYS 29 B 1 +ATOM 410 C CA LYS 29 B . B 2 -13.991 10.966 14.581 0.50 50.92 ? CA LYS 29 B 1 +ATOM 411 C C LYS 29 . . B 2 -14.544 12.290 15.132 1.00 59.57 ? C LYS 29 B 1 +ATOM 412 O O LYS 29 . . B 2 -14.488 12.544 16.363 1.00 67.86 ? O LYS 29 B 1 +ATOM 413 C CB LYS 29 A . B 2 -13.402 11.215 13.202 0.50 53.37 ? CB LYS 29 B 1 +ATOM 414 C CB LYS 29 B . B 2 -13.380 11.126 13.186 0.50 55.97 ? CB LYS 29 B 1 +ATOM 415 C CG LYS 29 A . B 2 -11.963 10.761 13.105 0.50 53.19 ? CG LYS 29 B 1 +ATOM 416 C CG LYS 29 B . B 2 -12.919 9.820 12.528 0.50 58.5 ? CG LYS 29 B 1 +ATOM 417 C CD LYS 29 A . B 2 -11.856 9.242 13.261 0.50 53.74 ? CD LYS 29 B 1 +ATOM 418 C CD LYS 29 B . B 2 -11.684 9.207 13.195 0.50 61.04 ? CD LYS 29 B 1 +ATOM 419 C CE LYS 29 A . B 2 -11.170 8.554 12.070 0.50 49.65 ? CE LYS 29 B 1 +ATOM 420 C CE LYS 29 B . B 2 -11.131 8.030 12.388 0.50 57.56 ? CE LYS 29 B 1 +ATOM 421 N NZ LYS 29 A . B 2 -12.141 8.218 10.995 0.50 41.24 ? NZ LYS 29 B 1 +ATOM 422 N NZ LYS 29 B . B 2 -10.378 7.095 13.262 0.50 52.57 ? NZ LYS 29 B 1 +HETATM 423 CL CL CL . . . C 3 -27.188 -12.142 12.142 0.33 78.62 ? CL CL 1001 B 1 +HETATM 424 O O HOH . . . D 4 -13.085 6.952 4.844 1.00 48.73 ? O HOH 2001 A 1 +HETATM 425 O O HOH . . . D 4 -10.765 8.176 7.675 1.00 52.71 ? O HOH 2002 A 1 +HETATM 426 O O HOH . . . D 4 -14.679 3.681 6.976 1.00 50.03 ? O HOH 2003 A 1 +HETATM 427 O O HOH . . . D 4 -13.701 5.263 11.317 1.00 35.09 ? O HOH 2004 A 1 +HETATM 428 O O HOH . . . D 4 -15.893 8.497 10.500 1.00 37.68 ? O HOH 2005 A 1 +HETATM 429 O O HOH . . . D 4 -13.429 11.674 10.013 1.00 68.12 ? O HOH 2006 A 1 +HETATM 430 O O HOH . . . D 4 -19.389 12.492 5.403 1.00 62.34 ? O HOH 2007 A 1 +HETATM 431 O O HOH . . . D 4 -16.005 12.322 10.646 1.00 65.9 ? O HOH 2008 A 1 +HETATM 432 O O HOH . . . D 4 -18.342 3.399 1.226 1.00 27.23 ? O HOH 2009 A 1 +HETATM 433 O O HOH . . . D 4 -20.196 3.582 1.064 1.00 26.27 ? O HOH 2010 A 1 +HETATM 434 O O HOH . . . D 4 -11.010 0.184 7.936 1.00 50.09 ? O HOH 2011 A 1 +HETATM 435 O O HOH . . . D 4 -27.618 9.520 4.990 1.00 38.65 ? O HOH 2012 A 1 +HETATM 436 O O HOH . . . D 4 -25.236 8.312 -0.929 1.00 38.45 ? O HOH 2013 A 1 +HETATM 437 O O HOH . . . D 4 -25.937 11.234 1.830 1.00 54.33 ? O HOH 2014 A 1 +HETATM 438 O O HOH . . . D 4 -22.687 9.418 -1.506 1.00 60.8 ? O HOH 2015 A 1 +HETATM 439 O O HOH . . . D 4 -10.363 0.000 19.665 0.50 54.03 ? O HOH 2016 A 1 +HETATM 440 O O HOH . . . D 4 -19.913 9.868 -1.836 1.00 45.91 ? O HOH 2017 A 1 +HETATM 441 O O HOH . . . D 4 -19.665 0.346 0.000 0.50 27.18 ? O HOH 2018 A 1 +HETATM 442 O O HOH . . . D 4 -22.889 -2.269 -0.341 1.00 25.92 ? O HOH 2019 A 1 +HETATM 443 O O HOH . . . D 4 -22.211 -6.069 1.521 1.00 24.96 ? O HOH 2020 A 1 +HETATM 444 O O HOH . . . D 4 -19.942 -6.330 1.189 1.00 31.27 ? O HOH 2021 A 1 +HETATM 445 O O HOH . . . D 4 -17.771 -8.644 2.078 1.00 45.55 ? O HOH 2022 A 1 +HETATM 446 O O HOH . . . D 4 -10.225 -8.043 0.551 1.00 40.95 ? O HOH 2023 A 1 +HETATM 447 O O HOH . . . D 4 -9.846 -4.145 3.762 1.00 63.04 ? O HOH 2024 A 1 +HETATM 448 O O HOH . . . D 4 -13.626 -0.375 6.728 1.00 35.88 ? O HOH 2025 A 1 +HETATM 449 O O HOH . . . D 4 -14.026 1.842 5.259 1.00 39.27 ? O HOH 2026 A 1 +HETATM 450 O O HOH . . . D 4 -11.540 -0.387 2.575 1.00 55.64 ? O HOH 2027 A 1 +HETATM 451 O O HOH . . . D 4 -11.605 -7.060 11.410 1.00 41.68 ? O HOH 2028 A 1 +HETATM 452 O O HOH . . . D 4 -20.488 -10.948 10.076 1.00 25.82 ? O HOH 2029 A 1 +HETATM 453 O O HOH . . . D 4 -11.763 -7.761 8.137 1.00 43.83 ? O HOH 2030 A 1 +HETATM 454 O O HOH . . . D 4 -11.700 5.068 10.612 1.00 47.1 ? O HOH 2031 A 1 +HETATM 455 O O HOH . . . D 4 -12.169 -9.413 13.145 1.00 45.28 ? O HOH 2032 A 1 +HETATM 456 O O HOH . . . D 4 -11.247 -2.337 20.016 1.00 56.96 ? O HOH 2033 A 1 +HETATM 457 O O HOH . . . E 4 -27.718 -7.645 5.644 1.00 39.31 ? O HOH 2001 B 1 +HETATM 458 O O HOH . . . E 4 -29.297 -4.654 3.101 1.00 44.97 ? O HOH 2002 B 1 +HETATM 459 O O HOH . . . E 4 -32.862 -6.468 6.468 0.33 41.57 ? O HOH 2003 B 1 +HETATM 460 O O HOH . . . E 4 -33.458 5.519 7.994 1.00 68.94 ? O HOH 2004 B 1 +HETATM 461 O O HOH . . . E 4 -30.048 2.102 -0.453 1.00 66.85 ? O HOH 2005 B 1 +HETATM 462 O O HOH . . . E 4 -31.146 3.602 6.064 1.00 54.09 ? O HOH 2006 B 1 +HETATM 463 O O HOH . . . E 4 -30.495 3.769 2.498 1.00 46.13 ? O HOH 2007 B 1 +HETATM 464 O O HOH . . . E 4 -29.699 5.335 9.367 1.00 30.23 ? O HOH 2008 B 1 +HETATM 465 O O HOH . . . E 4 -29.636 7.545 13.430 1.00 31.53 ? O HOH 2009 B 1 +HETATM 466 O O HOH . . . E 4 -20.941 -11.383 23.701 1.00 52.83 ? O HOH 2010 B 1 +HETATM 467 O O HOH . . . E 4 -27.121 1.395 19.417 1.00 41.69 ? O HOH 2011 B 1 +HETATM 468 O O HOH . . . E 4 -29.550 -0.461 11.778 1.00 36.49 ? O HOH 2012 B 1 +HETATM 469 O O HOH . . . E 4 -31.398 2.874 8.986 1.00 47.66 ? O HOH 2013 B 1 +HETATM 470 O O HOH . . . E 4 -29.658 -1.200 19.370 1.00 37.73 ? O HOH 2014 B 1 +HETATM 471 O O HOH . . . E 4 -20.587 -6.975 18.432 1.00 23.88 ? O HOH 2015 B 1 +HETATM 472 O O HOH . . . E 4 -24.269 -9.540 18.186 1.00 37.69 ? O HOH 2016 B 1 +HETATM 473 O O HOH . . . E 4 -24.659 -11.290 15.730 1.00 44.96 ? O HOH 2017 B 1 +HETATM 474 O O HOH . . . E 4 -21.673 -12.258 13.846 1.00 52.39 ? O HOH 2018 B 1 +HETATM 475 O O HOH . . . E 4 -21.474 -9.052 21.819 1.00 30.55 ? O HOH 2019 B 1 +HETATM 476 O O HOH . . . E 4 -20.219 -14.037 17.117 1.00 40.35 ? O HOH 2020 B 1 +HETATM 477 O O HOH . . . E 4 -18.220 -12.224 23.643 1.00 51.78 ? O HOH 2021 B 1 +HETATM 478 O O HOH . . . E 4 -13.325 -10.902 10.049 1.00 63.85 ? O HOH 2022 B 1 +HETATM 479 O O HOH . . . E 4 -15.715 2.688 13.478 1.00 28.09 ? O HOH 2023 B 1 +HETATM 480 O O HOH . . . E 4 -13.978 8.617 16.941 1.00 35.3 ? O HOH 2024 B 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 GLY 1 1 1 GLY GLY A . n +A 1 2 ILE 2 2 2 ILE ILE A . n +A 1 3 VAL 3 3 3 VAL VAL A . n +A 1 4 GLU 4 4 4 GLU GLU A . n +A 1 5 GLN 5 5 5 GLN GLN A . n +A 1 6 CYS 6 6 6 CYS CYS A . n +A 1 7 CYS 7 7 7 CYS CYS A . n +A 1 8 THR 8 8 8 THR THR A . n +A 1 9 SER 9 9 9 SER SER A . n +A 1 10 ILE 10 10 10 ILE ILE A . n +A 1 11 CYS 11 11 11 CYS CYS A . n +A 1 12 SER 12 12 12 SER SER A . n +A 1 13 LEU 13 13 13 LEU LEU A . n +A 1 14 TYR 14 14 14 TYR TYR A . n +A 1 15 GLN 15 15 15 GLN GLN A . n +A 1 16 LEU 16 16 16 LEU LEU A . n +A 1 17 GLU 17 17 17 GLU GLU A . n +A 1 18 ASN 18 18 18 ASN ASN A . n +A 1 19 TYR 19 19 19 TYR TYR A . n +A 1 20 CYS 20 20 20 CYS CYS A . n +A 1 21 ASN 21 21 21 ASN ASN A . n +B 2 1 PHE 1 1 1 PHE PHE B . n +B 2 2 VAL 2 2 2 VAL VAL B . n +B 2 3 ASN 3 3 3 ASN ASN B . n +B 2 4 GLN 4 4 4 GLN GLN B . n +B 2 5 HIS 5 5 5 HIS HIS B . n +B 2 6 LEU 6 6 6 LEU LEU B . n +B 2 7 CYS 7 7 7 CYS CYS B . n +B 2 8 DPR 8 8 8 DPR DPR B . n +B 2 9 SER 9 9 9 SER SER B . n +B 2 10 HIS 10 10 10 HIS HIS B . n +B 2 11 LEU 11 11 11 LEU LEU B . n +B 2 12 VAL 12 12 12 VAL VAL B . n +B 2 13 GLU 13 13 13 GLU GLU B . n +B 2 14 ALA 14 14 14 ALA ALA B . n +B 2 15 LEU 15 15 15 LEU LEU B . n +B 2 16 TYR 16 16 16 TYR TYR B . n +B 2 17 LEU 17 17 17 LEU LEU B . n +B 2 18 VAL 18 18 18 VAL VAL B . n +B 2 19 CYS 19 19 19 CYS CYS B . n +B 2 20 GLY 20 20 20 GLY GLY B . n +B 2 21 GLU 21 21 21 GLU GLU B . n +B 2 22 ARG 22 22 22 ARG ARG B . n +B 2 23 GLY 23 23 23 GLY GLY B . n +B 2 24 PHE 24 24 24 PHE PHE B . n +B 2 25 PHE 25 25 25 PHE PHE B . n +B 2 26 TYR 26 26 26 TYR TYR B . n +B 2 27 THR 27 27 27 THR THR B . n +B 2 28 PRO 28 28 28 PRO PRO B . n +B 2 29 LYS 29 29 29 LYS LYS B . n +B 2 30 THR 30 30 . . . B . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_ins_code +C 3 CL B 1 1001 1001 CL CL . +D 4 HOH A 1 2001 2001 HOH HOH . +D 4 HOH A 2 2002 2002 HOH HOH . +D 4 HOH A 3 2003 2003 HOH HOH . +D 4 HOH A 4 2004 2004 HOH HOH . +D 4 HOH A 5 2005 2005 HOH HOH . +D 4 HOH A 6 2006 2006 HOH HOH . +D 4 HOH A 7 2007 2007 HOH HOH . +D 4 HOH A 8 2008 2008 HOH HOH . +D 4 HOH A 9 2009 2009 HOH HOH . +D 4 HOH A 10 2010 2010 HOH HOH . +D 4 HOH A 11 2011 2011 HOH HOH . +D 4 HOH A 12 2012 2012 HOH HOH . +D 4 HOH A 13 2013 2013 HOH HOH . +D 4 HOH A 14 2014 2014 HOH HOH . +D 4 HOH A 15 2015 2015 HOH HOH . +D 4 HOH A 16 2016 2016 HOH HOH . +D 4 HOH A 17 2017 2017 HOH HOH . +D 4 HOH A 18 2018 2018 HOH HOH . +D 4 HOH A 19 2019 2019 HOH HOH . +D 4 HOH A 20 2020 2020 HOH HOH . +D 4 HOH A 21 2021 2021 HOH HOH . +D 4 HOH A 22 2022 2022 HOH HOH . +D 4 HOH A 23 2023 2023 HOH HOH . +D 4 HOH A 24 2024 2024 HOH HOH . +D 4 HOH A 25 2025 2025 HOH HOH . +D 4 HOH A 26 2026 2026 HOH HOH . +D 4 HOH A 27 2027 2027 HOH HOH . +D 4 HOH A 28 2028 2028 HOH HOH . +D 4 HOH A 29 2029 2029 HOH HOH . +D 4 HOH A 30 2030 2030 HOH HOH . +D 4 HOH A 31 2031 2031 HOH HOH . +D 4 HOH A 32 2032 2032 HOH HOH . +D 4 HOH A 33 2033 2033 HOH HOH . +E 4 HOH B 1 2001 2001 HOH HOH . +E 4 HOH B 2 2002 2002 HOH HOH . +E 4 HOH B 3 2003 2003 HOH HOH . +E 4 HOH B 4 2004 2004 HOH HOH . +E 4 HOH B 5 2005 2005 HOH HOH . +E 4 HOH B 6 2006 2006 HOH HOH . +E 4 HOH B 7 2007 2007 HOH HOH . +E 4 HOH B 8 2008 2008 HOH HOH . +E 4 HOH B 9 2009 2009 HOH HOH . +E 4 HOH B 10 2010 2010 HOH HOH . +E 4 HOH B 11 2011 2011 HOH HOH . +E 4 HOH B 12 2012 2012 HOH HOH . +E 4 HOH B 13 2013 2013 HOH HOH . +E 4 HOH B 14 2014 2014 HOH HOH . +E 4 HOH B 15 2015 2015 HOH HOH . +E 4 HOH B 16 2016 2016 HOH HOH . +E 4 HOH B 17 2017 2017 HOH HOH . +E 4 HOH B 18 2018 2018 HOH HOH . +E 4 HOH B 19 2019 2019 HOH HOH . +E 4 HOH B 20 2020 2020 HOH HOH . +E 4 HOH B 21 2021 2021 HOH HOH . +E 4 HOH B 22 2022 2022 HOH HOH . +E 4 HOH B 23 2023 2023 HOH HOH . +E 4 HOH B 24 2024 2024 HOH HOH . +# +loop_ +_pdbx_struct_assembly.method_details +_pdbx_struct_assembly.oligomeric_details +_pdbx_struct_assembly.oligomeric_count +_pdbx_struct_assembly.details +_pdbx_struct_assembly.id +PQS tetrameric 4 author_and_software_defined_assembly 1 +PISA hexameric 6 software_defined_assembly 2 +# +loop_ +_pdbx_struct_assembly_gen.asym_id_list +_pdbx_struct_assembly_gen.assembly_id +_pdbx_struct_assembly_gen.oper_expression +A,B,C,D,E 1 1,2 +A,B,C,D,E 2 1,3,4 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 4920 . +1 MORE -43.400000000000006 . +1 'SSA (A^2)' 6960 . +2 'ABSA (A^2)' 6170 . +2 MORE -61.6 . +2 'SSA (A^2)' 8610 . +# +loop_ +_pdbx_struct_oper_list.id +_pdbx_struct_oper_list.type +_pdbx_struct_oper_list.name +_pdbx_struct_oper_list.symmetry_operation +_pdbx_struct_oper_list.matrix[1][1] +_pdbx_struct_oper_list.matrix[1][2] +_pdbx_struct_oper_list.matrix[1][3] +_pdbx_struct_oper_list.matrix[2][1] +_pdbx_struct_oper_list.matrix[2][2] +_pdbx_struct_oper_list.matrix[2][3] +_pdbx_struct_oper_list.matrix[3][1] +_pdbx_struct_oper_list.matrix[3][2] +_pdbx_struct_oper_list.matrix[3][3] +_pdbx_struct_oper_list.vector[1] +_pdbx_struct_oper_list.vector[2] +_pdbx_struct_oper_list.vector[3] +1 'identity operation' 1_555 x,y,z 1 0 0 0 1 0 0 0 1 0 0 0 +2 'crystal symmetry operation' 16_555 x,-y,-z+1/2 1 0 0 0 -1 0 0 0 -1 0 0 39.33 +3 'crystal symmetry operation' 12_455 -y-1/2,-z,x+1/2 0 -1 0 0 0 -1 1 0 0 -39.33 0 39.33 +4 'crystal symmetry operation' 6_445 z-1/2,-x-1/2,-y 0 0 1 -1 0 0 0 -1 0 -39.33 -39.33 0 +# +loop_ +_pdbx_struct_special_symmetry.id +_pdbx_struct_special_symmetry.PDB_model_num +_pdbx_struct_special_symmetry.auth_asym_id +_pdbx_struct_special_symmetry.auth_comp_id +_pdbx_struct_special_symmetry.auth_seq_id +_pdbx_struct_special_symmetry.PDB_ins_code +_pdbx_struct_special_symmetry.label_asym_id +_pdbx_struct_special_symmetry.label_comp_id +_pdbx_struct_special_symmetry.label_seq_id +1 1 B CL 1001 . C CL . +2 1 A HOH 2016 . D HOH . +3 1 A HOH 2018 . D HOH . +4 1 B HOH 2003 . E HOH . +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2014-05-28 +2 'Structure model' 1 1 2014-06-18 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +_pdbx_audit_revision_group.ordinal 1 +_pdbx_audit_revision_group.revision_ordinal 2 +_pdbx_audit_revision_group.data_content_type 'Structure model' +_pdbx_audit_revision_group.group 'Database references' +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +refinement . . REFMAC . 5.8.0049 1 +'data reduction' . . XDS . . 2 +'data scaling' . . SCALA . . 3 +phasing . . MOLREP . . 4 +# +loop_ +_pdbx_validate_close_contact.id +_pdbx_validate_close_contact.PDB_model_num +_pdbx_validate_close_contact.auth_atom_id_1 +_pdbx_validate_close_contact.auth_asym_id_1 +_pdbx_validate_close_contact.auth_comp_id_1 +_pdbx_validate_close_contact.auth_seq_id_1 +_pdbx_validate_close_contact.PDB_ins_code_1 +_pdbx_validate_close_contact.label_alt_id_1 +_pdbx_validate_close_contact.auth_atom_id_2 +_pdbx_validate_close_contact.auth_asym_id_2 +_pdbx_validate_close_contact.auth_comp_id_2 +_pdbx_validate_close_contact.auth_seq_id_2 +_pdbx_validate_close_contact.PDB_ins_code_2 +_pdbx_validate_close_contact.label_alt_id_2 +_pdbx_validate_close_contact.dist +1 1 O A HOH 2009 . . O A HOH 2010 . . 1.87 +2 1 OE1 A GLN 15 . B O A HOH 2026 . . 1.9 +3 1 O A HOH 2004 . . O A HOH 2031 . . 2.13 +# +_pdbx_validate_rmsd_bond.id 1 +_pdbx_validate_rmsd_bond.PDB_model_num 1 +_pdbx_validate_rmsd_bond.auth_atom_id_1 CB +_pdbx_validate_rmsd_bond.auth_asym_id_1 B +_pdbx_validate_rmsd_bond.auth_comp_id_1 PHE +_pdbx_validate_rmsd_bond.auth_seq_id_1 25 +_pdbx_validate_rmsd_bond.PDB_ins_code_1 . +_pdbx_validate_rmsd_bond.label_alt_id_1 . +_pdbx_validate_rmsd_bond.auth_atom_id_2 CG +_pdbx_validate_rmsd_bond.auth_asym_id_2 B +_pdbx_validate_rmsd_bond.auth_comp_id_2 PHE +_pdbx_validate_rmsd_bond.auth_seq_id_2 25 +_pdbx_validate_rmsd_bond.PDB_ins_code_2 . +_pdbx_validate_rmsd_bond.label_alt_id_2 . +_pdbx_validate_rmsd_bond.bond_value 1.391 +_pdbx_validate_rmsd_bond.bond_target_value 1.509 +_pdbx_validate_rmsd_bond.bond_deviation -0.118 +_pdbx_validate_rmsd_bond.bond_standard_deviation 0.017 +_pdbx_validate_rmsd_bond.linker_flag N +# +_pdbx_validate_rmsd_angle.id 1 +_pdbx_validate_rmsd_angle.PDB_model_num 1 +_pdbx_validate_rmsd_angle.auth_atom_id_1 CB +_pdbx_validate_rmsd_angle.auth_asym_id_1 B +_pdbx_validate_rmsd_angle.auth_comp_id_1 PHE +_pdbx_validate_rmsd_angle.auth_seq_id_1 24 +_pdbx_validate_rmsd_angle.PDB_ins_code_1 . +_pdbx_validate_rmsd_angle.label_alt_id_1 . +_pdbx_validate_rmsd_angle.auth_atom_id_2 CG +_pdbx_validate_rmsd_angle.auth_asym_id_2 B +_pdbx_validate_rmsd_angle.auth_comp_id_2 PHE +_pdbx_validate_rmsd_angle.auth_seq_id_2 24 +_pdbx_validate_rmsd_angle.PDB_ins_code_2 . +_pdbx_validate_rmsd_angle.label_alt_id_2 . +_pdbx_validate_rmsd_angle.auth_atom_id_3 CD2 +_pdbx_validate_rmsd_angle.auth_asym_id_3 B +_pdbx_validate_rmsd_angle.auth_comp_id_3 PHE +_pdbx_validate_rmsd_angle.auth_seq_id_3 24 +_pdbx_validate_rmsd_angle.PDB_ins_code_3 . +_pdbx_validate_rmsd_angle.label_alt_id_3 . +_pdbx_validate_rmsd_angle.angle_value 116.06 +_pdbx_validate_rmsd_angle.angle_target_value 120.8 +_pdbx_validate_rmsd_angle.angle_deviation -4.74 +_pdbx_validate_rmsd_angle.angle_standard_deviation 0.7 +_pdbx_validate_rmsd_angle.linker_flag N +# +_pdbx_validate_torsion.id 1 +_pdbx_validate_torsion.PDB_model_num 1 +_pdbx_validate_torsion.auth_comp_id ASN +_pdbx_validate_torsion.auth_asym_id B +_pdbx_validate_torsion.auth_seq_id 3 +_pdbx_validate_torsion.PDB_ins_code . +_pdbx_validate_torsion.label_alt_id . +_pdbx_validate_torsion.phi -100.56 +_pdbx_validate_torsion.psi 62.43 +# +loop_ +_pdbx_unobs_or_zero_occ_atoms.id +_pdbx_unobs_or_zero_occ_atoms.PDB_model_num +_pdbx_unobs_or_zero_occ_atoms.polymer_flag +_pdbx_unobs_or_zero_occ_atoms.occupancy_flag +_pdbx_unobs_or_zero_occ_atoms.auth_asym_id +_pdbx_unobs_or_zero_occ_atoms.auth_comp_id +_pdbx_unobs_or_zero_occ_atoms.auth_seq_id +_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code +_pdbx_unobs_or_zero_occ_atoms.auth_atom_id +_pdbx_unobs_or_zero_occ_atoms.label_alt_id +_pdbx_unobs_or_zero_occ_atoms.label_asym_id +_pdbx_unobs_or_zero_occ_atoms.label_comp_id +_pdbx_unobs_or_zero_occ_atoms.label_seq_id +_pdbx_unobs_or_zero_occ_atoms.label_atom_id +1 1 Y 1 B GLU 21 . CD . B GLU 21 CD +2 1 Y 1 B GLU 21 . OE1 . B GLU 21 OE1 +3 1 Y 1 B GLU 21 . OE2 . B GLU 21 OE2 +# +_pdbx_unobs_or_zero_occ_residues.id 1 +_pdbx_unobs_or_zero_occ_residues.polymer_flag y +_pdbx_unobs_or_zero_occ_residues.occupancy_flag 1 +_pdbx_unobs_or_zero_occ_residues.PDB_model_num 1 +_pdbx_unobs_or_zero_occ_residues.auth_asym_id B +_pdbx_unobs_or_zero_occ_residues.auth_comp_id THR +_pdbx_unobs_or_zero_occ_residues.auth_seq_id 30 +_pdbx_unobs_or_zero_occ_residues.PDB_ins_code ? +_pdbx_unobs_or_zero_occ_residues.label_asym_id B +_pdbx_unobs_or_zero_occ_residues.label_comp_id THR +_pdbx_unobs_or_zero_occ_residues.label_seq_id 30 +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.comp_id +_pdbx_entity_nonpoly.name +3 CL 'CHLORIDE ION' +4 HOH water +# +_model_server_stats.io_time_ms 6 +_model_server_stats.parse_time_ms 59 +_model_server_stats.create_model_time_ms 3 +_model_server_stats.query_time_ms 221 +_model_server_stats.encode_time_ms 36 +_model_server_stats.element_count 480 # diff --git a/src/test/resources/snapshot/4cxl.cif.gz b/src/test/resources/snapshot/4cxl.cif.gz index 966aef752..69c6fe702 100644 Binary files a/src/test/resources/snapshot/4cxl.cif.gz and b/src/test/resources/snapshot/4cxl.cif.gz differ diff --git a/src/test/resources/snapshot/5zmz.bcif b/src/test/resources/snapshot/5zmz.bcif index 7ac3d2990..bc1aacd4f 100644 Binary files a/src/test/resources/snapshot/5zmz.bcif and b/src/test/resources/snapshot/5zmz.bcif differ diff --git a/src/test/resources/snapshot/5zmz.bcif.gz b/src/test/resources/snapshot/5zmz.bcif.gz index 3e17f64cd..de893a363 100644 Binary files a/src/test/resources/snapshot/5zmz.bcif.gz and b/src/test/resources/snapshot/5zmz.bcif.gz differ diff --git a/src/test/resources/snapshot/5zmz.cif b/src/test/resources/snapshot/5zmz.cif index da11fc65b..0bf19b8d8 100644 --- a/src/test/resources/snapshot/5zmz.cif +++ b/src/test/resources/snapshot/5zmz.cif @@ -1,207 +1,558 @@ data_5ZMZ # -_coordinate_server_result.query_type full -_coordinate_server_result.datetime_utc '2019-06-25 21:40:02' -_coordinate_server_result.is_empty no -_coordinate_server_result.has_error no -_coordinate_server_result.api_version 1.4.10 -_coordinate_server_result.core_version 3.2.3 -# -loop_ -_coordinate_server_query_params.name -_coordinate_server_query_params.value -atomSitesOnly 0 -modelId . -format mmCIF -encoding cif -lowPrecisionCoords false +_model_server_result.job_id TlkTzl7DQ7jsupbJYPGeTw +_model_server_result.datetime_utc '2022-06-14 23:44:35' +_model_server_result.server_version 0.9.9 +_model_server_result.query_name full +_model_server_result.source_id pdb-bcif +_model_server_result.entry_id 5zmz # _entry.id 5ZMZ # +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.303 +# loop_ -_entity.id -_entity.type -_entity.src_method -_entity.pdbx_description -_entity.formula_weight -_entity.pdbx_number_of_molecules -_entity.details -_entity.pdbx_mutation -_entity.pdbx_fragment -_entity.pdbx_ec -1 polymer man 'Amyloid core of RIP1' ? ? . ? ? ? -2 water nat water ? ? . ? ? ? +_database_2.database_id +_database_2.database_code +pdb 5ZMZ +wwpdb D_1300007378 # -_exptl.entry_id 5ZMZ -_exptl.method 'X-ray diffraction' +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 5ZMZ +_pdbx_database_status.recvd_initial_deposition_date 2018-04-06 +_pdbx_database_status.SG_entry n +_pdbx_database_status.deposit_site PDBJ +_pdbx_database_status.process_site PDBJ +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible y # -_pdbx_struct_assembly.id 1 -_pdbx_struct_assembly.details author_defined_assembly -_pdbx_struct_assembly.method_details ? -_pdbx_struct_assembly.oligomeric_details monomeric -_pdbx_struct_assembly.oligomeric_count 1 +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Li, J.X.' 1 ? +'Zheng, J.' 2 ? # -_pdbx_struct_assembly_gen.assembly_id 1 -_pdbx_struct_assembly_gen.oper_expression 1 -_pdbx_struct_assembly_gen.asym_id_list A,B +_citation.book_publisher ? +_citation.country ? +_citation.id primary +_citation.journal_abbrev 'To Be Published' +_citation.journal_id_ASTM ? +_citation.journal_id_CSD 353 +_citation.journal_id_ISSN ? +_citation.journal_volume ? +_citation.page_first ? +_citation.page_last ? +_citation.title 'Amyloid core of RIP1' +_citation.year ? +_citation.pdbx_database_id_DOI ? +_citation.pdbx_database_id_PubMed ? # -_pdbx_struct_oper_list.id 1 -_pdbx_struct_oper_list.type 'identity operation' -_pdbx_struct_oper_list.name 1_555 -_pdbx_struct_oper_list.symmetry_operation x,y,z -_pdbx_struct_oper_list.matrix[1][1] 1 -_pdbx_struct_oper_list.matrix[1][2] 0 -_pdbx_struct_oper_list.matrix[1][3] 0 -_pdbx_struct_oper_list.vector[1] 0 -_pdbx_struct_oper_list.matrix[2][1] 0 -_pdbx_struct_oper_list.matrix[2][2] 1 -_pdbx_struct_oper_list.matrix[2][3] 0 -_pdbx_struct_oper_list.vector[2] 0 -_pdbx_struct_oper_list.matrix[3][1] 0 -_pdbx_struct_oper_list.matrix[3][2] 0 -_pdbx_struct_oper_list.matrix[3][3] 1 -_pdbx_struct_oper_list.vector[3] 0 +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +primary 'Li, J.X.' 1 +primary 'Zheng, J.' 2 # +_cell.angle_alpha 90 +_cell.angle_beta 107.97 +_cell.angle_gamma 90 _cell.entry_id 5ZMZ _cell.length_a 29.44 _cell.length_b 4.8 _cell.length_c 18.94 -_cell.angle_alpha 90 -_cell.angle_beta 107.97 -_cell.angle_gamma 90 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # -_symmetry.entry_id 5ZMZ -_symmetry.space_group_name_H-M 'C 1 2 1' -_symmetry.pdbx_full_space_group_name_H-M ? -_symmetry.cell_setting ? -_symmetry.Int_Tables_number 5 -_symmetry.space_group_name_Hall ? +_symmetry.entry_id 5ZMZ +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 5 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'C 1 2 1' +# +loop_ +_entity.details +_entity.formula_weight +_entity.id +_entity.src_method +_entity.type +_entity.pdbx_description +_entity.pdbx_number_of_molecules +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.pdbx_ec +? 429.511 1 man polymer 'Amyloid core of RIP1' 1 ? ? ? +? 18.015 2 nat water water 1 ? ? ? # _entity_poly.entity_id 1 -_entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no +_entity_poly.type polypeptide(L) +_entity_poly.pdbx_strand_id A _entity_poly.pdbx_seq_one_letter_code IQIG _entity_poly.pdbx_seq_one_letter_code_can IQIG -_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id -_entity_poly_seq.num -_entity_poly_seq.mon_id _entity_poly_seq.hetero -1 1 ILE n -1 2 GLN n -1 3 ILE n -1 4 GLY n +_entity_poly_seq.mon_id +_entity_poly_seq.num +1 n ILE 1 +1 n GLN 2 +1 n ILE 3 +1 n GLY 4 +# +_entity_src_gen.entity_id 1 +_entity_src_gen.pdbx_gene_src_gene ? +_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' +_entity_src_gen.plasmid_name ? +_entity_src_gen.pdbx_src_id 1 +_entity_src_gen.pdbx_beg_seq_num 1 +_entity_src_gen.pdbx_end_seq_num 4 +# +_struct_ref.id 1 +_struct_ref.db_name UNP +_struct_ref.db_code RIPK1_HUMAN +_struct_ref.pdbx_db_accession Q13546 +_struct_ref.pdbx_db_isoform . +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code IQIG +_struct_ref.pdbx_align_begin 539 +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 5ZMZ +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code . +_struct_ref_seq.seq_align_end 4 +_struct_ref_seq.pdbx_seq_align_end_ins_code . +_struct_ref_seq.pdbx_db_accession Q13546 +_struct_ref_seq.db_align_beg 539 +_struct_ref_seq.pdbx_db_align_beg_ins_code . +_struct_ref_seq.db_align_end 542 +_struct_ref_seq.pdbx_db_align_end_ins_code . +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 4 # loop_ -_struct_asym.id -_struct_asym.pdbx_blank_PDB_chainid_flag -_struct_asym.pdbx_modified -_struct_asym.entity_id -_struct_asym.details -A N Y 1 'Might not contain all original atoms depending on the query used' -B N Y 2 'Might not contain all original atoms depending on the query used' +_chem_comp.formula +_chem_comp.formula_weight +_chem_comp.id +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.type +_chem_comp.pdbx_synonyms +'C5 H10 N2 O3' 146.144 GLN y GLUTAMINE 'l-peptide linking' ? +'C2 H5 N O2' 75.067 GLY y GLYCINE 'peptide linking' ? +'H2 O' 18.015 HOH . WATER non-polymer ? +'C6 H13 N O2' 131.173 ILE y ISOLEUCINE 'l-peptide linking' ? +# +_exptl.entry_id 5ZMZ +_exptl.method 'X-RAY DIFFRACTION' +# +_exptl_crystal.colour . +_exptl_crystal.density_diffrn . +_exptl_crystal.density_Matthews 1.48 +_exptl_crystal.density_method . +_exptl_crystal.density_percent_sol 17 +_exptl_crystal.description . +_exptl_crystal.F_000 . +_exptl_crystal.id 1 +_exptl_crystal.preparation . +_exptl_crystal.size_max . +_exptl_crystal.size_mid . +_exptl_crystal.size_min . +_exptl_crystal.size_rad . +_exptl_crystal.colour_lustre . +_exptl_crystal.colour_modifier . +_exptl_crystal.colour_primary . +_exptl_crystal.density_meas . +_exptl_crystal.density_meas_esd . +_exptl_crystal.density_meas_gt . +_exptl_crystal.density_meas_lt . +_exptl_crystal.density_meas_temp . +_exptl_crystal.density_meas_temp_esd . +_exptl_crystal.density_meas_temp_gt . +_exptl_crystal.density_meas_temp_lt . +_exptl_crystal.pdbx_crystal_image_url . +_exptl_crystal.pdbx_crystal_image_format . +_exptl_crystal.pdbx_mosaicity . +_exptl_crystal.pdbx_mosaicity_esd . +# +_exptl_crystal_grow.apparatus . +_exptl_crystal_grow.atmosphere . +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details . +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.method_ref . +_exptl_crystal_grow.pH 7 +_exptl_crystal_grow.pressure . +_exptl_crystal_grow.pressure_esd . +_exptl_crystal_grow.seeding . +_exptl_crystal_grow.seeding_ref . +_exptl_crystal_grow.temp 293 +_exptl_crystal_grow.temp_details . +_exptl_crystal_grow.temp_esd . +_exptl_crystal_grow.time . +_exptl_crystal_grow.pdbx_details '0.2M magnesium chloride, 0.1M Sodium HEPES, pH 7.0, 25% (v/v) PEG 200' +_exptl_crystal_grow.pdbx_pH_range . +# +_diffrn.ambient_environment . +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details . +_diffrn.ambient_temp_esd . +_diffrn.crystal_id 1 +_diffrn.crystal_support . +_diffrn.crystal_treatment . +_diffrn.details . +_diffrn.id 1 +_diffrn.ambient_pressure . +_diffrn.ambient_pressure_esd . +_diffrn.ambient_pressure_gt . +_diffrn.ambient_pressure_lt . +_diffrn.ambient_temp_gt . +_diffrn.ambient_temp_lt . +# +_diffrn_detector.details . +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS PILATUS3 S 6M' +_diffrn_detector.area_resol_mean . +_diffrn_detector.dtime . +_diffrn_detector.pdbx_frames_total . +_diffrn_detector.pdbx_collection_time_total . +_diffrn_detector.pdbx_collection_date 2013-12-27 +# +_diffrn_radiation.collimation . +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge . +_diffrn_radiation.inhomogeneity . +_diffrn_radiation.monochromator . +_diffrn_radiation.polarisn_norm . +_diffrn_radiation.polarisn_ratio . +_diffrn_radiation.probe . +_diffrn_radiation.type . +_diffrn_radiation.xray_symbol . +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list . +_diffrn_radiation.pdbx_wavelength . +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer . +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 0.97853 +_diffrn_radiation_wavelength.wt 1 +# +_diffrn_source.current . +_diffrn_source.details . +_diffrn_source.diffrn_id 1 +_diffrn_source.power . +_diffrn_source.size . +_diffrn_source.source SYNCHROTRON +_diffrn_source.target . +_diffrn_source.type 'SSRF BEAMLINE BL19U1' +_diffrn_source.voltage . +_diffrn_source.take-off_angle . +_diffrn_source.pdbx_wavelength_list 0.97853 +_diffrn_source.pdbx_wavelength . +_diffrn_source.pdbx_synchrotron_beamline BL19U1 +_diffrn_source.pdbx_synchrotron_site SSRF +# +_reflns.B_iso_Wilson_estimate . +_reflns.entry_id 5ZMZ +_reflns.data_reduction_details . +_reflns.data_reduction_method . +_reflns.d_resolution_high 1.4 +_reflns.d_resolution_low 18.016 +_reflns.details . +_reflns.limit_h_max . +_reflns.limit_h_min . +_reflns.limit_k_max . +_reflns.limit_k_min . +_reflns.limit_l_max . +_reflns.limit_l_min . +_reflns.number_all . +_reflns.number_obs 564 +_reflns.observed_criterion . +_reflns.observed_criterion_F_max . +_reflns.observed_criterion_F_min . +_reflns.observed_criterion_I_max . +_reflns.observed_criterion_I_min . +_reflns.observed_criterion_sigma_F . +_reflns.observed_criterion_sigma_I . +_reflns.percent_possible_obs 94.31 +_reflns.R_free_details . +_reflns.Rmerge_F_all . +_reflns.Rmerge_F_obs . +_reflns.Friedel_coverage . +_reflns.number_gt . +_reflns.threshold_expression . +_reflns.pdbx_redundancy 12.6 +_reflns.pdbx_Rmerge_I_obs . +_reflns.pdbx_Rmerge_I_all . +_reflns.pdbx_Rsym_value . +_reflns.pdbx_netI_over_av_sigmaI . +_reflns.pdbx_netI_over_sigmaI 22.5 +_reflns.pdbx_res_netI_over_av_sigmaI_2 . +_reflns.pdbx_res_netI_over_sigmaI_2 . +_reflns.pdbx_chi_squared . +_reflns.pdbx_scaling_rejects . +_reflns.pdbx_d_res_high_opt . +_reflns.pdbx_d_res_low_opt . +_reflns.pdbx_d_res_opt_method . +_reflns.phase_calculation_details . +_reflns.pdbx_Rrim_I_all . +_reflns.pdbx_Rpim_I_all . +_reflns.pdbx_d_opt . +_reflns.pdbx_number_measured_all . +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 0.976 +_reflns.pdbx_R_split . +# +_reflns_shell.d_res_high 1.4 +_reflns_shell.d_res_low 1.52 +_reflns_shell.meanI_over_sigI_all . +_reflns_shell.meanI_over_sigI_obs . +_reflns_shell.number_measured_all . +_reflns_shell.number_measured_obs . +_reflns_shell.number_possible . +_reflns_shell.number_unique_all . +_reflns_shell.number_unique_obs 136 +_reflns_shell.percent_possible_all . +_reflns_shell.percent_possible_obs . +_reflns_shell.Rmerge_F_all . +_reflns_shell.Rmerge_F_obs . +_reflns_shell.Rmerge_I_all . +_reflns_shell.Rmerge_I_obs . +_reflns_shell.meanI_over_sigI_gt . +_reflns_shell.meanI_over_uI_all . +_reflns_shell.meanI_over_uI_gt . +_reflns_shell.number_measured_gt . +_reflns_shell.number_unique_gt . +_reflns_shell.percent_possible_gt . +_reflns_shell.Rmerge_F_gt . +_reflns_shell.Rmerge_I_gt . +_reflns_shell.pdbx_redundancy . +_reflns_shell.pdbx_Rsym_value . +_reflns_shell.pdbx_chi_squared . +_reflns_shell.pdbx_netI_over_sigmaI_all . +_reflns_shell.pdbx_netI_over_sigmaI_obs . +_reflns_shell.pdbx_Rrim_I_all . +_reflns_shell.pdbx_Rpim_I_all . +_reflns_shell.pdbx_rejects . +_reflns_shell.pdbx_ordinal 1 +_reflns_shell.pdbx_diffrn_id 1 +_reflns_shell.pdbx_CC_half 0.909 +_reflns_shell.pdbx_R_split . +# +_refine.aniso_B[1][1] . +_refine.aniso_B[1][2] . +_refine.aniso_B[1][3] . +_refine.aniso_B[2][2] . +_refine.aniso_B[2][3] . +_refine.aniso_B[3][3] . +_refine.B_iso_max . +_refine.B_iso_mean . +_refine.B_iso_min . +_refine.correlation_coeff_Fo_to_Fc . +_refine.correlation_coeff_Fo_to_Fc_free . +_refine.details . +_refine.diff_density_max . +_refine.diff_density_max_esd . +_refine.diff_density_min . +_refine.diff_density_min_esd . +_refine.diff_density_rms . +_refine.diff_density_rms_esd . +_refine.entry_id 5ZMZ +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details . +_refine.ls_abs_structure_Flack . +_refine.ls_abs_structure_Flack_esd . +_refine.ls_abs_structure_Rogers . +_refine.ls_abs_structure_Rogers_esd . +_refine.ls_d_res_high 1.4 +_refine.ls_d_res_low 18.016 +_refine.ls_extinction_coef . +_refine.ls_extinction_coef_esd . +_refine.ls_extinction_expression . +_refine.ls_extinction_method . +_refine.ls_goodness_of_fit_all . +_refine.ls_goodness_of_fit_all_esd . +_refine.ls_goodness_of_fit_obs . +_refine.ls_goodness_of_fit_obs_esd . +_refine.ls_hydrogen_treatment . +_refine.ls_matrix_type . +_refine.ls_number_constraints . +_refine.ls_number_parameters . +_refine.ls_number_reflns_all . +_refine.ls_number_reflns_obs 564 +_refine.ls_number_reflns_R_free 57 +_refine.ls_number_reflns_R_work . +_refine.ls_number_restraints . +_refine.ls_percent_reflns_obs 94.31 +_refine.ls_percent_reflns_R_free 10.11 +_refine.ls_R_factor_all . +_refine.ls_R_factor_obs 0.24 +_refine.ls_R_factor_R_free 0.2754 +_refine.ls_R_factor_R_free_error . +_refine.ls_R_factor_R_free_error_details . +_refine.ls_R_factor_R_work 0.2349 +_refine.ls_R_Fsqd_factor_obs . +_refine.ls_R_I_factor_obs . +_refine.ls_redundancy_reflns_all . +_refine.ls_redundancy_reflns_obs . +_refine.ls_restrained_S_all . +_refine.ls_restrained_S_obs . +_refine.ls_shift_over_esd_max . +_refine.ls_shift_over_esd_mean . +_refine.ls_structure_factor_coef . +_refine.ls_weighting_details . +_refine.ls_weighting_scheme . +_refine.ls_wR_factor_all . +_refine.ls_wR_factor_obs . +_refine.ls_wR_factor_R_free . +_refine.ls_wR_factor_R_work . +_refine.occupancy_max . +_refine.occupancy_min . +_refine.solvent_model_details . +_refine.solvent_model_param_bsol . +_refine.solvent_model_param_ksol . +_refine.ls_R_factor_gt . +_refine.ls_goodness_of_fit_gt . +_refine.ls_goodness_of_fit_ref . +_refine.ls_shift_over_su_max . +_refine.ls_shift_over_su_max_lt . +_refine.ls_shift_over_su_mean . +_refine.ls_shift_over_su_mean_lt . +_refine.pdbx_ls_sigma_I . +_refine.pdbx_ls_sigma_F 1.37 +_refine.pdbx_ls_sigma_Fsqd . +_refine.pdbx_data_cutoff_high_absF . +_refine.pdbx_data_cutoff_high_rms_absF . +_refine.pdbx_data_cutoff_low_absF . +_refine.pdbx_isotropic_thermal_model . +_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE' +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model 5ZCK +_refine.pdbx_stereochemistry_target_values . +_refine.pdbx_R_Free_selection_details . +_refine.pdbx_stereochem_target_val_spec_case . +_refine.pdbx_overall_ESU_R . +_refine.pdbx_overall_ESU_R_Free . +_refine.pdbx_solvent_vdw_probe_radii 1.11 +_refine.pdbx_solvent_ion_probe_radii . +_refine.pdbx_solvent_shrinkage_radii 0.9 +_refine.pdbx_real_space_R . +_refine.pdbx_density_correlation . +_refine.pdbx_pd_number_of_powder_patterns . +_refine.pdbx_pd_number_of_points . +_refine.pdbx_pd_meas_number_of_points . +_refine.pdbx_pd_proc_ls_prof_R_factor . +_refine.pdbx_pd_proc_ls_prof_wR_factor . +_refine.pdbx_pd_Marquardt_correlation_coeff . +_refine.pdbx_pd_Fsqrd_R_factor . +_refine.pdbx_pd_ls_matrix_band_width . +_refine.pdbx_overall_phase_error 34.4 +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI . +_refine.pdbx_overall_SU_R_free_Blow_DPI . +_refine.pdbx_overall_SU_R_Blow_DPI . +_refine.pdbx_TLS_residual_ADP_flag . +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B . +_refine.overall_SU_ML 0.21 +_refine.overall_SU_R_Cruickshank_DPI . +_refine.overall_SU_R_free . +_refine.overall_FOM_free_R_set . +_refine.overall_FOM_work_R_set . +_refine.pdbx_average_fsc_overall . +_refine.pdbx_average_fsc_work . +_refine.pdbx_average_fsc_free . +# +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.cycle_id LAST +_refine_hist.pdbx_number_atoms_protein 30 +_refine_hist.pdbx_number_atoms_nucleic_acid 0 +_refine_hist.pdbx_number_atoms_ligand 0 +_refine_hist.number_atoms_solvent 1 +_refine_hist.number_atoms_total 31 +_refine_hist.d_res_high 1.4 +_refine_hist.d_res_low 18.016 +# +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.criterion +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.rejects +_refine_ls_restr.type +_refine_ls_restr.weight +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' . 0.008 . 29 . f_bond_d . . +'X-RAY DIFFRACTION' . 1.184 . 38 . f_angle_d . . +'X-RAY DIFFRACTION' . 13.801 . 11 . f_dihedral_angle_d . . +'X-RAY DIFFRACTION' . 0.046 . 5 . f_chiral_restr . . +'X-RAY DIFFRACTION' . 0.003 . 5 . f_plane_restr . . +# +_struct.entry_id 5ZMZ +_struct.title 'Amyloid core of RIP1' +_struct.pdbx_descriptor 'Amyloid core of RIP1' +# +_struct_keywords.entry_id 5ZMZ +_struct_keywords.text 'amyloid core,RIP1,PROTEIN BINDING' +_struct_keywords.pdbx_keywords 'PROTEIN BINDING' # loop_ -_chem_comp_bond.comp_id -_chem_comp_bond.pdbx_stereo_config -_chem_comp_bond.pdbx_ordinal -_chem_comp_bond.pdbx_aromatic_flag -_chem_comp_bond.atom_id_1 -_chem_comp_bond.atom_id_2 -_chem_comp_bond.value_order -GLN N 1 N N CA SING -GLN N 2 N N H SING -GLN N 3 N N H2 SING -GLN N 4 N CA C SING -GLN N 5 N CA CB SING -GLN N 6 N CA HA SING -GLN N 7 N C O DOUB -GLN N 8 N C OXT SING -GLN N 9 N CB CG SING -GLN N 10 N CB HB2 SING -GLN N 11 N CB HB3 SING -GLN N 12 N CG CD SING -GLN N 13 N CG HG2 SING -GLN N 14 N CG HG3 SING -GLN N 15 N CD OE1 DOUB -GLN N 16 N CD NE2 SING -GLN N 17 N NE2 HE21 SING -GLN N 18 N NE2 HE22 SING -GLN N 19 N OXT HXT SING -GLY N 1 N N CA SING -GLY N 2 N N H SING -GLY N 3 N N H2 SING -GLY N 4 N CA C SING -GLY N 5 N CA HA2 SING -GLY N 6 N CA HA3 SING -GLY N 7 N C O DOUB -GLY N 8 N C OXT SING -GLY N 9 N OXT HXT SING -HOH N 1 N O H1 SING -HOH N 2 N O H2 SING -ILE N 1 N N CA SING -ILE N 2 N N H SING -ILE N 3 N N H2 SING -ILE N 4 N CA C SING -ILE N 5 N CA CB SING -ILE N 6 N CA HA SING -ILE N 7 N C O DOUB -ILE N 8 N C OXT SING -ILE N 9 N CB CG1 SING -ILE N 10 N CB CG2 SING -ILE N 11 N CB HB SING -ILE N 12 N CG1 CD1 SING -ILE N 13 N CG1 HG12 SING -ILE N 14 N CG1 HG13 SING -ILE N 15 N CG2 HG21 SING -ILE N 16 N CG2 HG22 SING -ILE N 17 N CG2 HG23 SING -ILE N 18 N CD1 HD11 SING -ILE N 19 N CD1 HD12 SING -ILE N 20 N CD1 HD13 SING -ILE N 21 N OXT HXT SING +_struct_asym.details +_struct_asym.entity_id +_struct_asym.id +_struct_asym.pdbx_modified +_struct_asym.pdbx_blank_PDB_chainid_flag +? 1 A N N +? 2 B N N # _atom_sites.entry_id 5ZMZ _atom_sites.fract_transf_matrix[1][1] 0.033967 _atom_sites.fract_transf_matrix[1][2] 0 _atom_sites.fract_transf_matrix[1][3] 0.011016 -_atom_sites.fract_transf_vector[1] 0 _atom_sites.fract_transf_matrix[2][1] 0 _atom_sites.fract_transf_matrix[2][2] 0.208333 _atom_sites.fract_transf_matrix[2][3] 0 -_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_matrix[3][1] 0 _atom_sites.fract_transf_matrix[3][2] 0 _atom_sites.fract_transf_matrix[3][3] 0.055506 +_atom_sites.fract_transf_vector[1] 0 +_atom_sites.fract_transf_vector[2] 0 _atom_sites.fract_transf_vector[3] 0 # -_pdbx_nonpoly_scheme.asym_id B -_pdbx_nonpoly_scheme.entity_id 2 -_pdbx_nonpoly_scheme.mon_id HOH -_pdbx_nonpoly_scheme.ndb_seq_num 1 -_pdbx_nonpoly_scheme.pdb_seq_num 101 -_pdbx_nonpoly_scheme.auth_seq_num 2 -_pdbx_nonpoly_scheme.pdb_mon_id HOH -_pdbx_nonpoly_scheme.auth_mon_id HOH -_pdbx_nonpoly_scheme.pdb_strand_id A -_pdbx_nonpoly_scheme.pdb_ins_code . +loop_ +_atom_type.symbol +C +N +O # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id -_atom_site.label_alt_id _atom_site.label_comp_id -_atom_site.label_asym_id -_atom_site.label_entity_id _atom_site.label_seq_id +_atom_site.label_alt_id _atom_site.pdbx_PDB_ins_code +_atom_site.label_asym_id +_atom_site.label_entity_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z @@ -210,44 +561,150 @@ _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_atom_id _atom_site.auth_comp_id -_atom_site.auth_asym_id _atom_site.auth_seq_id +_atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num -ATOM 1 N N . ILE A 1 1 . 10.752 0.036 5.972 1.00 9.66 ? N ILE A 1 1 -ATOM 2 C CA . ILE A 1 1 . 9.668 0.212 5.018 1.00 6.08 ? CA ILE A 1 1 -ATOM 3 C C . ILE A 1 1 . 8.392 -0.442 5.537 1.00 5.76 ? C ILE A 1 1 -ATOM 4 O O . ILE A 1 1 . 8.347 -1.652 5.718 1.00 6.17 ? O ILE A 1 1 -ATOM 5 C CB . ILE A 1 1 . 10.030 -0.385 3.661 1.00 6.46 ? CB ILE A 1 1 -ATOM 6 C CG1 . ILE A 1 1 . 11.347 0.208 3.171 1.00 6.78 ? CG1 ILE A 1 1 -ATOM 7 C CG2 . ILE A 1 1 . 8.941 -0.120 2.654 1.00 5.89 ? CG2 ILE A 1 1 -ATOM 8 C CD1 . ILE A 1 1 . 11.880 -0.479 1.946 1.00 7.84 ? CD1 ILE A 1 1 -ATOM 9 N N . GLN A 1 2 . 7.375 0.381 5.789 1.00 4.41 ? N GLN A 2 1 -ATOM 10 C CA . GLN A 1 2 . 6.058 -0.066 6.220 1.00 5.68 ? CA GLN A 2 1 -ATOM 11 C C . GLN A 1 2 . 5.037 0.503 5.249 1.00 4.66 ? C GLN A 2 1 -ATOM 12 O O . GLN A 1 2 . 4.997 1.712 5.036 1.00 4.88 ? O GLN A 2 1 -ATOM 13 C CB . GLN A 1 2 . 5.765 0.395 7.656 1.00 5.23 ? CB GLN A 2 1 -ATOM 14 C CG . GLN A 1 2 . 6.582 -0.350 8.684 1.00 5.69 ? CG GLN A 2 1 -ATOM 15 C CD . GLN A 1 2 . 6.574 0.288 10.055 1.00 6.28 ? CD GLN A 2 1 -ATOM 16 O OE1 . GLN A 1 2 . 6.565 1.507 10.189 1.00 8.77 ? OE1 GLN A 2 1 -ATOM 17 N NE2 . GLN A 1 2 . 6.590 -0.542 11.083 1.00 7.11 ? NE2 GLN A 2 1 -ATOM 18 N N . ILE A 1 3 . 4.233 -0.374 4.655 1.00 4.19 ? N ILE A 3 1 -ATOM 19 C CA . ILE A 1 3 . 3.232 0.025 3.675 1.00 4.67 ? CA ILE A 3 1 -ATOM 20 C C . ILE A 1 3 . 1.914 -0.634 4.035 1.00 4.64 ? C ILE A 3 1 -ATOM 21 O O . ILE A 1 3 . 1.869 -1.847 4.188 1.00 5.74 ? O ILE A 3 1 -ATOM 22 C CB . ILE A 1 3 . 3.622 -0.389 2.234 1.00 4.72 ? CB ILE A 3 1 -ATOM 23 C CG1 . ILE A 1 3 . 4.984 0.195 1.851 1.00 5.93 ? CG1 ILE A 3 1 -ATOM 24 C CG2 . ILE A 1 3 . 2.547 0.047 1.265 1.00 6.45 ? CG2 ILE A 3 1 -ATOM 25 C CD1 . ILE A 1 3 . 5.566 -0.372 0.555 1.00 7.25 ? CD1 ILE A 3 1 -ATOM 26 N N . GLY A 1 4 . 0.853 0.149 4.188 1.00 5.86 ? N GLY A 4 1 -ATOM 27 C CA . GLY A 1 4 . -0.445 -0.445 4.467 1.00 9 ? CA GLY A 4 1 -ATOM 28 C C . GLY A 1 4 . -1.372 0.421 5.287 1.00 12.11 ? C GLY A 4 1 -ATOM 29 O O . GLY A 1 4 . -2.540 0.069 5.528 1.00 11.37 ? O GLY A 4 1 -ATOM 30 O OXT . GLY A 1 4 . -0.960 1.489 5.732 1.00 14.07 ? OXT GLY A 4 1 -HETATM 31 O O . HOH B 2 . . 9.657 2.092 9.206 1.00 20.41 ? O HOH A 101 1 -# -_coordinate_server_stats.molecule_cached yes -_coordinate_server_stats.io_time_ms 0 -_coordinate_server_stats.parse_time_ms 0 -_coordinate_server_stats.query_time_ms 0 -_coordinate_server_stats.format_time_ms 1 +ATOM 1 N N ILE 1 . . A 1 10.752 0.036 5.972 1.00 9.66 ? N ILE 1 A 1 +ATOM 2 C CA ILE 1 . . A 1 9.668 0.212 5.018 1.00 6.08 ? CA ILE 1 A 1 +ATOM 3 C C ILE 1 . . A 1 8.392 -0.442 5.537 1.00 5.76 ? C ILE 1 A 1 +ATOM 4 O O ILE 1 . . A 1 8.347 -1.652 5.718 1.00 6.17 ? O ILE 1 A 1 +ATOM 5 C CB ILE 1 . . A 1 10.030 -0.385 3.661 1.00 6.46 ? CB ILE 1 A 1 +ATOM 6 C CG1 ILE 1 . . A 1 11.347 0.208 3.171 1.00 6.78 ? CG1 ILE 1 A 1 +ATOM 7 C CG2 ILE 1 . . A 1 8.941 -0.120 2.654 1.00 5.89 ? CG2 ILE 1 A 1 +ATOM 8 C CD1 ILE 1 . . A 1 11.880 -0.479 1.946 1.00 7.84 ? CD1 ILE 1 A 1 +ATOM 9 N N GLN 2 . . A 1 7.375 0.381 5.789 1.00 4.41 ? N GLN 2 A 1 +ATOM 10 C CA GLN 2 . . A 1 6.058 -0.066 6.220 1.00 5.68 ? CA GLN 2 A 1 +ATOM 11 C C GLN 2 . . A 1 5.037 0.503 5.249 1.00 4.66 ? C GLN 2 A 1 +ATOM 12 O O GLN 2 . . A 1 4.997 1.712 5.036 1.00 4.88 ? O GLN 2 A 1 +ATOM 13 C CB GLN 2 . . A 1 5.765 0.395 7.656 1.00 5.23 ? CB GLN 2 A 1 +ATOM 14 C CG GLN 2 . . A 1 6.582 -0.350 8.684 1.00 5.69 ? CG GLN 2 A 1 +ATOM 15 C CD GLN 2 . . A 1 6.574 0.288 10.055 1.00 6.28 ? CD GLN 2 A 1 +ATOM 16 O OE1 GLN 2 . . A 1 6.565 1.507 10.189 1.00 8.77 ? OE1 GLN 2 A 1 +ATOM 17 N NE2 GLN 2 . . A 1 6.590 -0.542 11.083 1.00 7.11 ? NE2 GLN 2 A 1 +ATOM 18 N N ILE 3 . . A 1 4.233 -0.374 4.655 1.00 4.19 ? N ILE 3 A 1 +ATOM 19 C CA ILE 3 . . A 1 3.232 0.025 3.675 1.00 4.67 ? CA ILE 3 A 1 +ATOM 20 C C ILE 3 . . A 1 1.914 -0.634 4.035 1.00 4.64 ? C ILE 3 A 1 +ATOM 21 O O ILE 3 . . A 1 1.869 -1.847 4.188 1.00 5.74 ? O ILE 3 A 1 +ATOM 22 C CB ILE 3 . . A 1 3.622 -0.389 2.234 1.00 4.72 ? CB ILE 3 A 1 +ATOM 23 C CG1 ILE 3 . . A 1 4.984 0.195 1.851 1.00 5.93 ? CG1 ILE 3 A 1 +ATOM 24 C CG2 ILE 3 . . A 1 2.547 0.047 1.265 1.00 6.45 ? CG2 ILE 3 A 1 +ATOM 25 C CD1 ILE 3 . . A 1 5.566 -0.372 0.555 1.00 7.25 ? CD1 ILE 3 A 1 +ATOM 26 N N GLY 4 . . A 1 0.853 0.149 4.188 1.00 5.86 ? N GLY 4 A 1 +ATOM 27 C CA GLY 4 . . A 1 -0.445 -0.445 4.467 1.00 9 ? CA GLY 4 A 1 +ATOM 28 C C GLY 4 . . A 1 -1.372 0.421 5.287 1.00 12.11 ? C GLY 4 A 1 +ATOM 29 O O GLY 4 . . A 1 -2.540 0.069 5.528 1.00 11.37 ? O GLY 4 A 1 +ATOM 30 O OXT GLY 4 . . A 1 -0.960 1.489 5.732 1.00 14.07 ? OXT GLY 4 A 1 +HETATM 31 O O HOH . . . B 2 9.657 2.092 9.206 1.00 20.41 ? O HOH 101 A 1 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 ILE 1 1 1 ILE ILE A . n +A 1 2 GLN 2 2 2 GLN GLN A . n +A 1 3 ILE 3 3 3 ILE ILE A . n +A 1 4 GLY 4 4 4 GLY GLY A . n +# +_pdbx_nonpoly_scheme.asym_id B +_pdbx_nonpoly_scheme.entity_id 2 +_pdbx_nonpoly_scheme.mon_id HOH +_pdbx_nonpoly_scheme.pdb_strand_id A +_pdbx_nonpoly_scheme.ndb_seq_num 1 +_pdbx_nonpoly_scheme.pdb_seq_num 101 +_pdbx_nonpoly_scheme.auth_seq_num 2 +_pdbx_nonpoly_scheme.pdb_mon_id HOH +_pdbx_nonpoly_scheme.auth_mon_id HOH +_pdbx_nonpoly_scheme.pdb_ins_code . +# +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.id 1 +# +_pdbx_struct_assembly_gen.asym_id_list A,B +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 0 . +1 MORE 0 . +1 'SSA (A^2)' 690 . +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1 +_pdbx_struct_oper_list.matrix[1][2] 0 +_pdbx_struct_oper_list.matrix[1][3] 0 +_pdbx_struct_oper_list.matrix[2][1] 0 +_pdbx_struct_oper_list.matrix[2][2] 1 +_pdbx_struct_oper_list.matrix[2][3] 0 +_pdbx_struct_oper_list.matrix[3][1] 0 +_pdbx_struct_oper_list.matrix[3][2] 0 +_pdbx_struct_oper_list.matrix[3][3] 1 +_pdbx_struct_oper_list.vector[1] 0 +_pdbx_struct_oper_list.vector[2] 0 +_pdbx_struct_oper_list.vector[3] 0 +# +_pdbx_audit_revision_history.ordinal 1 +_pdbx_audit_revision_history.data_content_type 'Structure model' +_pdbx_audit_revision_history.major_revision 1 +_pdbx_audit_revision_history.minor_revision 0 +_pdbx_audit_revision_history.revision_date 2019-04-10 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description . +# +loop_ +_software.classification +_software.date +_software.description +_software.name +_software.type +_software.version +_software.pdbx_ordinal +refinement ? ? PHENIX ? dev_1555 1 +'data reduction' ? ? HKL-3000 ? . 2 +'data scaling' ? ? HKL-3000 ? . 3 +phasing ? ? MLPHARE ? . 4 +# +_pdbx_audit_support.funding_organization . +_pdbx_audit_support.country China +_pdbx_audit_support.grant_number . +_pdbx_audit_support.ordinal 1 +# +_pdbx_entity_nonpoly.entity_id 2 +_pdbx_entity_nonpoly.comp_id HOH +_pdbx_entity_nonpoly.name water +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support none +_pdbx_struct_assembly_auth_evidence.details . +# +_model_server_stats.io_time_ms 2 +_model_server_stats.parse_time_ms 50 +_model_server_stats.create_model_time_ms 3 +_model_server_stats.query_time_ms 232 +_model_server_stats.encode_time_ms 28 +_model_server_stats.element_count 31 # diff --git a/src/test/resources/snapshot/5zmz.cif.gz b/src/test/resources/snapshot/5zmz.cif.gz index 2c3bdf1b2..e85522c52 100644 Binary files a/src/test/resources/snapshot/5zmz.cif.gz and b/src/test/resources/snapshot/5zmz.cif.gz differ diff --git a/src/test/resources/source/200l_molstar.bcif b/src/test/resources/source/200l_cif2bcif.bcif similarity index 86% rename from src/test/resources/source/200l_molstar.bcif rename to src/test/resources/source/200l_cif2bcif.bcif index 9a93f3ee5..3c9369d89 100644 Binary files a/src/test/resources/source/200l_molstar.bcif and b/src/test/resources/source/200l_cif2bcif.bcif differ diff --git a/src/test/resources/source/200l_ebi.bcif b/src/test/resources/source/200l_ebi.bcif index ab86ee70e..537600c77 100644 Binary files a/src/test/resources/source/200l_ebi.bcif and b/src/test/resources/source/200l_ebi.bcif differ diff --git a/src/test/resources/source/200l_modelserver.bcif b/src/test/resources/source/200l_modelserver.bcif new file mode 100644 index 000000000..4f5aa5b9e Binary files /dev/null and b/src/test/resources/source/200l_modelserver.bcif differ