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update csv_file feature

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rdk
2020-11-17 02:44:06 +01:00
parent 86db2923a2
commit 8e62c0ca59
11 changed files with 1322 additions and 263 deletions
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19
breaking-changes.md
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@@ -17,14 +17,29 @@ All changes of that type should be rare and should be all listed here.
#### 2.3-dev.x
##### Prediction
##### Training new models
* parameter `-extra_features` was renamed to `-features`
* command line format of values of parameters with type `List<String>` and `List<List<String>>` has changed
* command line format of parameters values with type `List<String>` and `List<List<String>>` has changed
* now only comas `,` are delimeters and inner parentheses are respected
* before `.` was used as an alternative delimeter and delimeter for inner lists, now it is part of element value
* Examples:
* `'(a.b.c)'` was interpreted as list of 3 elements, now it defines list of 1 element: `a.b.c`
* list of lists value `'((a.b.c),(d.e))'` should be changed to `'((a,b,c),(d,e))'`
* Changes in `csv_file_feature`
* renamed to `csv`
* introduced parameter `-feat_csv_columns` (type: `List<String>`).
Names of enabled value columns from csv files must be listed here.
Columns not listed are ignored.
* introduced parameter `-feat_csv_ignore_missing` (type: `boolean`, default: `false`). If true, then feature ignores:
* missing csv files for proteins
* missing value columns
* missing rows for atoms or residues
#### 2.2

4
src/main/groovy/cz/siret/prank/domain/Protein.groovy
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@@ -138,7 +138,9 @@ class Protein implements Parametrized {
return (score==null) ? null : score.toDoubleLabeling(this)
}
/**
* solvent exposed protein atoms (i.e. surface atoms)
*/
Atoms getExposedAtoms() {
calcuateSurfaceAndExposedAtoms()
exposedAtoms

2
src/main/groovy/cz/siret/prank/features/api/FeatureRegistry.groovy
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@@ -3,9 +3,9 @@ package cz.siret.prank.features.api
import cz.siret.prank.features.implementation.*
import cz.siret.prank.features.implementation.chem.ChemFeature
import cz.siret.prank.features.implementation.conservation.*
import cz.siret.prank.features.implementation.csv.CsvFileFeature
import cz.siret.prank.features.implementation.electrostatics.ElectrostaticsTempAtomFeature
import cz.siret.prank.features.implementation.electrostatics.ElectrostaticsTempSasFeature
import cz.siret.prank.features.implementation.external.CsvFileFeature
import cz.siret.prank.features.implementation.histogram.PairHistogramFeature
import cz.siret.prank.features.implementation.residue.ContactResiduesRF
import cz.siret.prank.features.implementation.secstruct.SecStructCloudSF

31
src/main/groovy/cz/siret/prank/features/implementation/external/CsvFileFeature.groovy → src/main/groovy/cz/siret/prank/features/implementation/csv/CsvFileFeature.groovy
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@@ -1,4 +1,4 @@
package cz.siret.prank.features.implementation.external
package cz.siret.prank.features.implementation.csv
import cz.siret.prank.domain.Protein
import cz.siret.prank.features.api.AtomFeatureCalculationContext
@@ -9,6 +9,10 @@ import groovy.transform.CompileStatic
import groovy.util.logging.Slf4j
import org.biojava.nbio.structure.Atom
/**
* Loads values from csv files (for each protein separately).
* Csv files define values for either individual protein atom or residues.
*/
@Slf4j
@CompileStatic
class CsvFileFeature extends AtomFeatureCalculator implements Parametrized {
@@ -18,10 +22,11 @@ class CsvFileFeature extends AtomFeatureCalculator implements Parametrized {
@Override
String getName() {
return "csv_file_feature"
return "csv"
}
/**
* List of enabled csv value columns.
*
* Notes:
* Multi value features must return header.
@@ -31,11 +36,7 @@ class CsvFileFeature extends AtomFeatureCalculator implements Parametrized {
*/
@Override
List<String> getHeader() {
// TODO: add implementation so that the method returns static header with sensible sub-feature names, so that either:
// (a) header is based on feat_csv_directories
// (b) this feature returns result based on feat_csv_header
return params.feat_csv_header // temporary solution!
return params.feat_csv_columns
}
@Override
@@ -47,25 +48,25 @@ class CsvFileFeature extends AtomFeatureCalculator implements Parametrized {
if (protein.secondaryData.get(DATA_LOADED_KEY) == Boolean.TRUE) {
return
}
loadCsvFileForProtein(protein)
loadCsvFilesForProtein(protein)
}
private void loadCsvFileForProtein(Protein protein) {
private void loadCsvFilesForProtein(Protein protein) {
List<String> directories = params.feat_csv_directories
ExternalAtomFeature feature = new ExternalAtomFeature()
feature.load(directories, protein.name)
CsvFileFeatureValues feature = new CsvFileFeatureValues(params.feat_csv_ignore_missing)
feature.load(directories, protein.name, header)
protein.secondaryData.put(DATA_LOADED_KEY, true)
protein.secondaryData.put(DATA_KEY, feature)
}
@Override
double[] calculateForAtom(Atom proteinSurfaceAtom, AtomFeatureCalculationContext context) {
ExternalAtomFeature feature = getFeature(context.protein)
return feature.getValue(proteinSurfaceAtom)
CsvFileFeatureValues feature = getValuesForProtein(context.protein)
return feature.getValues(proteinSurfaceAtom, header)
}
private static ExternalAtomFeature getFeature(Protein protein) {
return (ExternalAtomFeature) protein.secondaryData.get(DATA_KEY)
private static CsvFileFeatureValues getValuesForProtein(Protein protein) {
return (CsvFileFeatureValues) protein.secondaryData.get(DATA_KEY)
}
}

301
src/main/groovy/cz/siret/prank/features/implementation/csv/CsvFileFeatureValues.groovy Normal file
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@@ -0,0 +1,301 @@
package cz.siret.prank.features.implementation.csv
import cz.siret.prank.program.PrankException
import cz.siret.prank.utils.Futils
import groovy.transform.CompileStatic
import groovy.util.logging.Slf4j
import org.apache.commons.csv.CSVFormat
import org.apache.commons.csv.CSVParser
import org.apache.commons.csv.CSVRecord
import org.biojava.nbio.structure.Atom
import org.biojava.nbio.structure.ResidueNumber
import javax.annotation.Nullable
import java.nio.charset.StandardCharsets
/**
* Represents values loaded from csv files for single protein.
*
* We expect in each directory file with same name as protein but with added
* ".csv" extension.
*/
@Slf4j
@CompileStatic
class CsvFileFeatureValues {
private static enum CsvFileType {
ATOM_CSV,
RESIDUE_CSV
}
private static class CsvColumn {
int index
String name
CsvColumn(int index, String name) {
this.index = index
this.name = name
}
}
private static class FileMetadata {
CsvFileType type
List<CsvColumn> valueColumns = new ArrayList<>()
FileMetadata(CsvFileType type) {
this.type = type
}
}
/** Holds values from ATOM_CSV value column */
private static class AtomFeature {
Map<Integer, Double> values = new HashMap<>() //key: PDBSerial
}
/** Holds values from RESIDUE_CSV value column */
private static class ResidueFeature {
Map<ResidueNumber, Double> values = new HashMap<>()
}
//===========================================================================================================//
private static final CSVFormat CSV_FORMAT = CSVFormat.RFC4180.withFirstRecordAsHeader()
private static final String PDB_SERIAL_COLUMN = "pdb serial"
private static final String CHAIN_COLUMN = "chain"
private static final String INS_CODE_COLUMN = "ins. code"
private static final String SEQ_CODE_COLUMN = "seq. code"
private static final String IGNORE_COLUMN_PREFIX = "#"
private static final List<String> RESIDUE_HEADER = [CHAIN_COLUMN, INS_CODE_COLUMN, SEQ_CODE_COLUMN]
private final boolean ignoreMissing
private Map<String, FileMetadata> directoryMetadata = new HashMap<>() // key: directory path
private Map<String, AtomFeature> atomFeatures = new HashMap<>() // key: value column name
private Map<String, ResidueFeature> residueFeatures = new HashMap<>() // key: value column name
//===========================================================================================================//
CsvFileFeatureValues(boolean ignoreMissing) {
this.ignoreMissing = ignoreMissing
}
//===========================================================================================================//
private void missingError(String msg) throws PrankException {
if (ignoreMissing) {
log.debug msg
} else {
throw new PrankException(msg)
}
}
private File getCsvFileForProtein(String proteinName, String dir) {
return new File(dir, proteinName + ".csv")
}
void load(List<String> directories, String proteinName, List<String> enabledColumns) {
ensureMetadataAreLoaded(directories, proteinName)
validateColumns(proteinName, enabledColumns)
for (String dir : directories) {
File file = getCsvFileForProtein(proteinName, dir)
loadCsv(file, directoryMetadata.get(dir))
}
}
private void validateColumns(String proteinName, List<String> enabledColumns) {
Map<String, String> columnsToDirs = new HashMap<>()
for (String dir : directoryMetadata.keySet()) {
FileMetadata metadata = directoryMetadata.get(dir)
for (String column : metadata.valueColumns*.name) {
// check for duplicates
if (columnsToDirs.containsKey(column)) {
throw new PrankException("Duplicate column '$column' for protein '$proteinName' found in directories: [$dir AND ${columnsToDirs[column]}]")
}
columnsToDirs.put(column, dir)
}
}
for (String column : enabledColumns) {
if (!columnsToDirs.containsKey(column)) {
missingError "Column '$column' is not defined for protein '$proteinName'"
}
}
}
private void ensureMetadataAreLoaded(List<String> directories, String proteinName) {
directoryMetadata = new HashMap<>()
for (String dir in directories) {
if (directoryMetadata.containsKey(dir)) {
continue
}
File file = getCsvFileForProtein(proteinName, dir)
FileMetadata metadata = loadCsvMetadata(file)
directoryMetadata.put(dir, metadata)
}
}
private static boolean ignoreColumn(String colName) {
return colName.startsWith(IGNORE_COLUMN_PREFIX)
}
private static CSVParser parseCsv(InputStream stream) {
return CSV_FORMAT.parse(new InputStreamReader(stream, StandardCharsets.UTF_8))
}
private static FileMetadata loadCsvMetadata(File file) {
InputStream stream = Futils.bufferedFileInputStream(file)
List<String> header = []
try {
CSVParser csvParser = parseCsv(stream)
header = csvParser.getHeaderNames()
} finally {
stream.close()
}
if (header.contains(PDB_SERIAL_COLUMN)) {
FileMetadata result = new FileMetadata(CsvFileType.ATOM_CSV)
for (int i = 0; i < header.size(); ++i) {
String colName = header[i]
if (ignoreColumn(colName) || PDB_SERIAL_COLUMN == colName) {
continue
}
result.valueColumns.add(new CsvColumn(i, colName))
}
return result
} else if (header.containsAll(RESIDUE_HEADER)) {
FileMetadata result = new FileMetadata(CsvFileType.RESIDUE_CSV)
for (int i = 0; i < header.size(); ++i) {
String colName = header[i]
if (ignoreColumn(colName) || RESIDUE_HEADER.contains(colName)) {
continue
}
result.valueColumns.add(new CsvColumn(i, colName))
}
return result
} else {
throw new PrankException("Can't recognize CSV header for: " + file)
}
}
private void loadCsv(File file, FileMetadata metadata) {
InputStream stream = Futils.bufferedFileInputStream(file)
try {
CSVParser csvParser = parseCsv(stream)
// Determine type of CSV file using information about header.
switch (metadata.type) {
case CsvFileType.ATOM_CSV:
loadAtomFeatureCsv(csvParser, metadata.valueColumns)
break
case CsvFileType.RESIDUE_CSV:
loadResidueFeatureCsv(csvParser, metadata.valueColumns)
break
default:
throw new PrankException("Unknown file type for: " + file)
}
} finally {
stream.close()
}
}
private static Double readValue(CSVRecord record, int colIndex) {
return Double.parseDouble(record.get(colIndex))
}
private ResidueNumber getResidueNumber(CSVRecord record) {
String chain = record.get(CHAIN_COLUMN)
Integer seqCode = Integer.parseInt(record.get(SEQ_CODE_COLUMN))
String insCodeStr = record.get(INS_CODE_COLUMN)
Character insCode = null
if (!insCodeStr.isAllWhitespace()) {
char[] chars = record.get(INS_CODE_COLUMN).getChars()
if (chars.length > 0) {
insCode = Character.valueOf(chars[0])
}
}
return new ResidueNumber(chain, seqCode, insCode)
}
private void loadResidueFeatureCsv(CSVParser csvParser, List<CsvColumn> valueColumns) {
for (CSVRecord record : csvParser) {
ResidueNumber key = getResidueNumber(record)
for (CsvColumn column : valueColumns) {
ResidueFeature feat = residueFeatures.get(column.name)
if (feat == null) {
feat = residueFeatures.get(column.name, new ResidueFeature())
}
feat.values.put(key, readValue(record, column.index))
}
}
}
private void loadAtomFeatureCsv(CSVParser csvParser, List<CsvColumn> valueColumns) {
for (CSVRecord record : csvParser) {
Integer key = Integer.valueOf(record.get(PDB_SERIAL_COLUMN))
for (CsvColumn column : valueColumns) {
AtomFeature feat = atomFeatures.get(column.name)
if (feat == null) {
feat = atomFeatures.get(column.name, new AtomFeature())
}
feat.values.put(key, readValue(record, column.index))
}
}
}
@Nullable
private Double getColumnValue(Atom atom, String columnName) {
AtomFeature atomFeature = atomFeatures.get(columnName)
if (atomFeature != null) {
return atomFeature.values.get(atom.PDBserial)
}
ResidueFeature residueFeature = residueFeatures.get(columnName)
if (residueFeature != null) {
return residueFeature.values.get(atom.group.residueNumber)
}
// column not found
return null
}
/**
* @param atom
* @return
*/
double[] getValues(Atom atom, List<String> columns) {
double[] result = new double[columns.size()]
String pdbSerial = atom.PDBserial
ResidueNumber residueNumber = atom.group.residueNumber
for (int i = 0; i < columns.size(); ++i) {
String column = columns[i]
Double val = getColumnValue(atom, column)
if (val == null) {
missingError "CSV value of column [$column] for atom [$atom.PDBserial] is misisng"
val = 0d
}
result[i] = val
}
return result
}
}

239
src/main/groovy/cz/siret/prank/features/implementation/external/ExternalAtomFeature.groovy vendored
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@@ -1,239 +0,0 @@
package cz.siret.prank.features.implementation.external
import cz.siret.prank.program.PrankException
import cz.siret.prank.utils.Futils
import groovy.transform.CompileStatic
import groovy.util.logging.Slf4j
import org.apache.commons.csv.CSVFormat
import org.apache.commons.csv.CSVParser
import org.apache.commons.csv.CSVRecord
import org.biojava.nbio.structure.Atom
import org.biojava.nbio.structure.ResidueNumber
import java.nio.charset.StandardCharsets
/**
* We expect in each directory file with same name as protein but with added
* ".csv" extension.
*/
@Slf4j
@CompileStatic
class ExternalAtomFeature {
private static enum CsvFileType {
AtomCsv,
ResidueCsv
}
private static class FileMetadata {
CsvFileType type
List<Integer> valueColumns = new ArrayList<>()
}
//===========================================================================================================//
private static final String PDB_SERIAL_COLUMN = "pdb serial"
private static final String CHAIN_COLUMN = "chain"
private static final String INS_CODE_COLUMN = "ins. code"
private static final String SEQ_CODE_COLUMN = "seq. code"
private static final String IGNORE_COLUMN_PREFIX = "#"
private static final List<String> RESIDUE_HEADER = [CHAIN_COLUMN, INS_CODE_COLUMN, SEQ_CODE_COLUMN]
private int totalAtomFeatureSize = 0
private int totalResidueFeatureSize = 0;
private Map<String, FileMetadata> directoryMetadata = new HashMap<>()
private Map<String, List<Double>> atomFeatures = new HashMap<>()
private Map<ResidueNumber, List<Double>> residueFeatures = new HashMap<>()
//===========================================================================================================//
void load(List<String> directories, String proteinName) {
ensureMetadataAreLoaded(directories, proteinName)
for (String dir in directories) {
String path = dir + File.separator + proteinName + ".csv"
loadCsv(new File(path), directoryMetadata.get(dir))
}
validate(directories, proteinName)
}
private void ensureMetadataAreLoaded(List<String> directories, String proteinName) {
directoryMetadata = new HashMap<>()
for (String dir in directories) {
if (directoryMetadata.containsKey(dir)) {
continue
}
File path = new File(dir, proteinName + ".csv")
FileMetadata metadata = loadCsvMetadata(path)
directoryMetadata.put(dir, metadata)
switch (metadata.type) {
case CsvFileType.AtomCsv:
totalAtomFeatureSize += metadata.valueColumns.size()
break
case CsvFileType.ResidueCsv:
totalResidueFeatureSize += metadata.valueColumns.size()
break
default:
throw new PrankException("Unknown file type.")
}
}
}
private static FileMetadata loadCsvMetadata(File file) {
InputStream stream = Futils.bufferedFileInputStream(file)
List<String> headers
try {
InputStreamReader input = new InputStreamReader(stream, StandardCharsets.UTF_8)
CSVParser csvParser = CSVFormat.RFC4180.withFirstRecordAsHeader().parse(input)
headers = csvParser.getHeaderNames()
} finally {
stream.close()
}
if (headers.contains(PDB_SERIAL_COLUMN)) {
FileMetadata result = new FileMetadata()
result.type = CsvFileType.AtomCsv
for (int index = 0; index < headers.size(); ++index) {
String colName = headers.get(index)
if (colName.startsWith(IGNORE_COLUMN_PREFIX)) {
continue
}
if (PDB_SERIAL_COLUMN == colName) {
continue
}
result.valueColumns.add(index)
}
return result
} else if (headers.containsAll(RESIDUE_HEADER)) {
FileMetadata result = new FileMetadata()
result.type = CsvFileType.ResidueCsv
for (int index = 0; index < headers.size(); ++index) {
String colName = headers.get(index)
if (colName.startsWith(IGNORE_COLUMN_PREFIX)) {
continue
}
if (RESIDUE_HEADER.contains(colName)) {
continue
}
result.valueColumns.add(index)
}
return result
} else {
throw new PrankException("Can't recognize CSV header for: " + file)
}
}
private void loadCsv(File file, FileMetadata metadata) {
InputStream stream = Futils.bufferedFileInputStream(file)
try {
InputStreamReader input = new InputStreamReader(stream, StandardCharsets.UTF_8)
CSVParser csvParser = CSVFormat.RFC4180.withFirstRecordAsHeader().parse(input)
// Determine type of CSV file using information about header.
switch (metadata.type) {
case CsvFileType.AtomCsv:
loadAtomFeatureCsv(csvParser, metadata.valueColumns)
break
case CsvFileType.ResidueCsv:
loadResidueFeatureCsv(csvParser, metadata.valueColumns)
break
default:
throw new PrankException("Unknown file type for: " + file)
}
} finally {
stream.close()
}
}
private void loadAtomFeatureCsv(CSVParser csvParser, List<Integer> valueColumns) {
for (CSVRecord record : csvParser) {
String key = record.get(PDB_SERIAL_COLUMN)
if (!atomFeatures.containsKey(key)) {
atomFeatures.put(key, new ArrayList<>())
}
readToList(record, valueColumns, atomFeatures.get(key))
}
}
private static void readToList(CSVRecord record, List<Integer> columns, List<Double> target) {
for (int index : columns) {
target.add(Double.parseDouble(record.get(index)))
}
}
private void loadResidueFeatureCsv(CSVParser csvParser, List<Integer> valueColumns) {
for (CSVRecord record : csvParser) {
String chain = record.get(CHAIN_COLUMN)
Integer seqCode = Integer.parseInt(record.get(SEQ_CODE_COLUMN))
String insCodeStr = record.get(INS_CODE_COLUMN)
Character insCode = null
if (!insCodeStr.isAllWhitespace()) {
char[] chars = record.get(INS_CODE_COLUMN).getChars()
if (chars.length > 0) {
insCode = Character.valueOf(chars[0])
}
}
ResidueNumber key = new ResidueNumber(chain, seqCode, insCode)
if (!residueFeatures.containsKey(key)) {
residueFeatures.put(key, new ArrayList<>())
}
readToList(record, valueColumns, residueFeatures.get(key))
}
}
private void validate(List<String> directories, String fileName) {
for (Map.Entry<String, List<Double>> entry : atomFeatures.entrySet()) {
if (entry.value.size() != totalAtomFeatureSize) {
throw new PrankException(
"Invalid atom feature size for ${entry.key}" +
" of ${entry.value.size()} " +
"expected ${totalAtomFeatureSize}")
}
}
for (Map.Entry<ResidueNumber, List<Double>> entry : residueFeatures.entrySet()) {
if (entry.value.size() != totalResidueFeatureSize) {
throw new PrankException(
"Invalid residue feature size for ${entry.key}" +
" of ${entry.value.size()} " +
"expected ${totalResidueFeatureSize}")
}
}
if (totalResidueFeatureSize + totalAtomFeatureSize == 0) {
throw new PrankException(
"No features loaded for: ${fileName} from ${directories}")
}
}
/**
* @param atom
* @return
*/
double[] getValue(Atom atom) {
double[] result = new double[totalAtomFeatureSize + totalResidueFeatureSize]
int pdbSerial = atom.getPDBserial()
if (atomFeatures.size() > 0) {
double[] atomFeature = atomFeatures.get(pdbSerial)
if (atomFeature == null) {
throw new PrankException(
"Missing atom feature for: ${pdbSerial}")
}
copyToArray(atomFeature, result, 0)
}
ResidueNumber residueNumber = atom.getGroup().getResidueNumber()
if (residueFeatures.size() > 0) {
double[] residueFeature = residueFeatures.get(residueNumber)
if (residueFeature == null) {
throw new PrankException("Missing residue for: ${residueNumber}")
}
copyToArray(residueFeature, result, totalAtomFeatureSize)
}
return result
}
private static void copyToArray(double[] from, double[] to, int offset) {
//for (int index = 0; index < from.length; ++index) {
// to[index + offset] = from[index]
//}
System.arraycopy(from, 0, to, offset, from.length)
}
}

20
src/main/groovy/cz/siret/prank/program/params/Params.groovy
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@@ -1106,17 +1106,27 @@ class Params {
/**
* Directories where to find csv files for csv_file_atom_feature.
*/
@RuntimeParam
@ModelParam
List<String> feat_csv_directories = []
/**
* Header of values used by csv_file_atom_feature.
* This is temporary. csv_file_atom_feature does not yet respect the this parameter.
* Names of enabled value columns from csv files used by csv_file feature. Value columns not listed here are ignored.
*/
@RuntimeParam
List<String> feat_csv_header = ["temporary"]
@ModelParam
List<String> feat_csv_columns = []
/**
* If true then csv_file feature ignores:
* <ul>
* <li> missing csv files for proteins
* <li> missing value columns
* <li> missing rows for atoms or residues
* <ul>
*/
@ModelParam
boolean feat_csv_ignore_missing = false
//===========================================================================================================//
/**

35
src/test/groovy/cz/siret/prank/features/implementation/csv/CsvFileFeatureTest.groovy Normal file
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@@ -0,0 +1,35 @@
package cz.siret.prank.features.implementation.csv
import cz.siret.prank.domain.Protein
import cz.siret.prank.program.params.Params
import org.biojava.nbio.structure.Atom;
import org.junit.Test
import static org.junit.Assert.assertEquals;
/**
*
*/
class CsvFileFeatureTest {
static String dir = 'src/test/resources/data/csv_feature'
@Test
void testCsvFeatureLoading() {
Params.inst.feat_csv_ignore_missing = false
List<String> columns = ["pdbekb_conservation"]
CsvFileFeatureValues feature = new CsvFileFeatureValues(false)
feature.load(["$dir/pdbekb_conservation"], "1bviC.pdb", columns)
Protein p1bviC = Protein.load("$dir/1bviC.pdb")
Atom atom = p1bviC.proteinAtoms.withIndex().getByID(1664) // residue: C_16
assertEquals(1, feature.getValues(atom, columns)[0] as int)
for (Atom surfAtom : p1bviC.exposedAtoms) {
assertEquals(1, feature.getValues(surfAtom, columns).size()) // fails if any value is missing
}
}
}

828
src/test/resources/data/csv_feature/1bviC.pdb Normal file
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@@ -0,0 +1,828 @@
ATOM 1557 N ALA C 1 42.107 19.637 71.139 1.00 43.77 N
ATOM 1558 CA ALA C 1 41.915 19.365 72.590 1.00 41.07 C
ATOM 1559 C ALA C 1 40.948 20.380 73.189 1.00 39.47 C
ATOM 1560 O ALA C 1 39.791 20.068 73.455 1.00 40.58 O
ATOM 1561 CB ALA C 1 43.256 19.418 73.314 1.00 41.52 C
ATOM 1562 N CYS C 2 41.425 21.606 73.364 1.00 38.90 N
ATOM 1563 CA CYS C 2 40.630 22.686 73.927 1.00 35.37 C
ATOM 1564 C CYS C 2 40.108 23.595 72.816 1.00 33.88 C
ATOM 1565 O CYS C 2 40.583 24.722 72.653 1.00 30.87 O
ATOM 1566 CB CYS C 2 41.511 23.493 74.864 1.00 40.78 C
ATOM 1567 SG CYS C 2 40.906 23.660 76.516 1.00 39.68 S
ATOM 1568 N ASP C 3 39.108 23.119 72.079 1.00 28.67 N
ATOM 1569 CA ASP C 3 38.533 23.876 70.967 1.00 26.80 C
ATOM 1570 C ASP C 3 37.849 25.188 71.342 1.00 25.06 C
ATOM 1571 O ASP C 3 37.941 26.177 70.607 1.00 23.67 O
ATOM 1572 CB ASP C 3 37.592 22.983 70.160 1.00 26.55 C
ATOM 1573 CG ASP C 3 38.318 21.817 69.521 1.00 28.98 C
ATOM 1574 OD1 ASP C 3 39.317 22.066 68.817 1.00 28.87 O
ATOM 1575 OD2 ASP C 3 37.913 20.656 69.736 1.00 26.31 O
ATOM 1576 N TYR C 4 37.142 25.183 72.467 1.00 20.59 N
ATOM 1577 CA TYR C 4 36.456 26.373 72.965 1.00 20.00 C
ATOM 1578 C TYR C 4 36.727 26.487 74.456 1.00 19.73 C
ATOM 1579 O TYR C 4 36.683 25.489 75.182 1.00 20.08 O
ATOM 1580 CB TYR C 4 34.940 26.294 72.738 1.00 18.63 C
ATOM 1581 CG TYR C 4 34.528 26.182 71.292 1.00 21.10 C
ATOM 1582 CD1 TYR C 4 34.321 27.320 70.516 1.00 20.64 C
ATOM 1583 CD2 TYR C 4 34.352 24.934 70.697 1.00 22.49 C
ATOM 1584 CE1 TYR C 4 33.948 27.215 69.178 1.00 21.44 C
ATOM 1585 CE2 TYR C 4 33.981 24.816 69.368 1.00 22.17 C
ATOM 1586 CZ TYR C 4 33.781 25.960 68.612 1.00 22.22 C
ATOM 1587 OH TYR C 4 33.424 25.840 67.290 1.00 24.34 O
ATOM 1588 N THR C 5 37.039 27.696 74.903 1.00 16.04 N
ATOM 1589 CA THR C 5 37.305 27.941 76.313 1.00 17.74 C
ATOM 1590 C THR C 5 36.328 28.992 76.816 1.00 16.03 C
ATOM 1591 O THR C 5 36.329 30.128 76.341 1.00 15.72 O
ATOM 1592 CB THR C 5 38.750 28.446 76.544 1.00 18.93 C
ATOM 1593 OG1 THR C 5 39.681 27.476 76.048 1.00 18.64 O
ATOM 1594 CG2 THR C 5 39.010 28.673 78.035 1.00 16.41 C
ATOM 1595 N CYS C 6 35.463 28.591 77.738 1.00 12.70 N
ATOM 1596 CA CYS C 6 34.484 29.500 78.320 1.00 14.75 C
ATOM 1597 C CYS C 6 34.936 29.733 79.756 1.00 16.53 C
ATOM 1598 O CYS C 6 34.639 28.929 80.644 1.00 14.52 O
ATOM 1599 CB CYS C 6 33.089 28.869 78.307 1.00 12.15 C
ATOM 1600 SG CYS C 6 32.506 28.323 76.684 1.00 16.10 S
ATOM 1601 N GLY C 7 35.643 30.838 79.980 1.00 18.43 N
ATOM 1602 CA GLY C 7 36.157 31.124 81.306 1.00 20.98 C
ATOM 1603 C GLY C 7 37.269 30.122 81.562 1.00 23.39 C
ATOM 1604 O GLY C 7 38.307 30.161 80.898 1.00 25.48 O
ATOM 1605 N SER C 8 37.041 29.184 82.476 1.00 24.52 N
ATOM 1606 CA SER C 8 38.044 28.165 82.777 1.00 25.56 C
ATOM 1607 C SER C 8 37.622 26.801 82.229 1.00 24.41 C
ATOM 1608 O SER C 8 38.374 25.830 82.314 1.00 24.50 O
ATOM 1609 CB SER C 8 38.283 28.074 84.286 1.00 27.34 C
ATOM 1610 OG SER C 8 37.164 27.512 84.949 1.00 35.81 O
ATOM 1611 N ASN C 9 36.423 26.739 81.657 1.00 20.12 N
ATOM 1612 CA ASN C 9 35.897 25.496 81.104 1.00 18.42 C
ATOM 1613 C ASN C 9 36.406 25.205 79.697 1.00 17.76 C
ATOM 1614 O ASN C 9 36.238 26.002 78.776 1.00 16.26 O
ATOM 1615 CB ASN C 9 34.365 25.504 81.140 1.00 17.53 C
ATOM 1616 CG ASN C 9 33.818 25.565 82.556 1.00 19.80 C
ATOM 1617 OD1 ASN C 9 34.428 25.034 83.486 1.00 18.16 O
ATOM 1618 ND2 ASN C 9 32.667 26.208 82.729 1.00 14.53 N
ATOM 1619 N CYS C 10 37.038 24.046 79.557 1.00 16.13 N
ATOM 1620 CA CYS C 10 37.604 23.579 78.297 1.00 17.31 C
ATOM 1621 C CYS C 10 36.625 22.636 77.584 1.00 17.43 C
ATOM 1622 O CYS C 10 36.229 21.617 78.146 1.00 20.03 O
ATOM 1623 CB CYS C 10 38.928 22.859 78.593 1.00 16.09 C
ATOM 1624 SG CYS C 10 39.613 21.827 77.260 1.00 22.69 S
ATOM 1625 N TYR C 11 36.216 22.992 76.367 1.00 14.73 N
ATOM 1626 CA TYR C 11 35.294 22.160 75.584 1.00 17.13 C
ATOM 1627 C TYR C 11 35.905 21.723 74.259 1.00 17.54 C
ATOM 1628 O TYR C 11 36.615 22.492 73.615 1.00 16.74 O
ATOM 1629 CB TYR C 11 33.991 22.911 75.277 1.00 14.17 C
ATOM 1630 CG TYR C 11 33.163 23.257 76.488 1.00 11.87 C
ATOM 1631 CD1 TYR C 11 32.554 22.258 77.237 1.00 13.89 C
ATOM 1632 CD2 TYR C 11 32.992 24.583 76.889 1.00 14.24 C
ATOM 1633 CE1 TYR C 11 31.793 22.560 78.358 1.00 14.38 C
ATOM 1634 CE2 TYR C 11 32.231 24.899 78.017 1.00 15.73 C
ATOM 1635 CZ TYR C 11 31.638 23.877 78.742 1.00 13.31 C
ATOM 1636 OH TYR C 11 30.894 24.159 79.854 1.00 16.09 O
ATOM 1637 N SER C 12 35.630 20.482 73.864 1.00 18.33 N
ATOM 1638 CA SER C 12 36.110 19.952 72.588 1.00 18.60 C
ATOM 1639 C SER C 12 34.965 20.078 71.579 1.00 18.66 C
ATOM 1640 O SER C 12 33.817 20.345 71.959 1.00 15.83 O
ATOM 1641 CB SER C 12 36.497 18.476 72.723 1.00 18.52 C
ATOM 1642 OG SER C 12 35.346 17.664 72.893 1.00 18.71 O
ATOM 1643 N SER C 13 35.275 19.872 70.300 1.00 20.37 N
ATOM 1644 CA SER C 13 34.268 19.938 69.240 1.00 21.40 C
ATOM 1645 C SER C 13 33.193 18.893 69.491 1.00 19.93 C
ATOM 1646 O SER C 13 32.017 19.133 69.236 1.00 18.75 O
ATOM 1647 CB SER C 13 34.903 19.700 67.870 1.00 23.85 C
ATOM 1648 OG SER C 13 35.718 20.794 67.499 1.00 36.13 O
ATOM 1649 N SER C 14 33.606 17.734 69.997 1.00 17.39 N
ATOM 1650 CA SER C 14 32.674 16.655 70.301 1.00 20.23 C
ATOM 1651 C SER C 14 31.712 17.060 71.410 1.00 17.32 C
ATOM 1652 O SER C 14 30.538 16.703 71.368 1.00 19.17 O
ATOM 1653 CB SER C 14 33.431 15.391 70.698 1.00 20.69 C
ATOM 1654 OG SER C 14 34.203 14.921 69.608 1.00 31.24 O
ATOM 1655 N ASP C 15 32.219 17.792 72.402 1.00 14.00 N
ATOM 1656 CA ASP C 15 31.394 18.264 73.512 1.00 14.90 C
ATOM 1657 C ASP C 15 30.320 19.194 72.953 1.00 15.38 C
ATOM 1658 O ASP C 15 29.139 19.055 73.268 1.00 16.33 O
ATOM 1659 CB ASP C 15 32.232 19.044 74.534 1.00 14.98 C
ATOM 1660 CG ASP C 15 33.198 18.166 75.312 1.00 18.21 C
ATOM 1661 OD1 ASP C 15 32.918 16.962 75.494 1.00 16.61 O
ATOM 1662 OD2 ASP C 15 34.234 18.695 75.764 1.00 14.96 O
ATOM 1663 N VAL C 16 30.740 20.133 72.111 1.00 13.88 N
ATOM 1664 CA VAL C 16 29.822 21.099 71.502 1.00 15.03 C
ATOM 1665 C VAL C 16 28.799 20.413 70.603 1.00 15.15 C
ATOM 1666 O VAL C 16 27.606 20.719 70.651 1.00 14.10 O
ATOM 1667 CB VAL C 16 30.592 22.172 70.684 1.00 13.23 C
ATOM 1668 CG1 VAL C 16 29.610 23.095 69.955 1.00 9.46 C
ATOM 1669 CG2 VAL C 16 31.498 22.981 71.609 1.00 11.45 C
ATOM 1670 N SER C 17 29.272 19.449 69.820 1.00 15.43 N
ATOM 1671 CA SER C 17 28.414 18.716 68.909 1.00 16.42 C
ATOM 1672 C SER C 17 27.337 17.935 69.662 1.00 16.28 C
ATOM 1673 O SER C 17 26.176 17.934 69.263 1.00 15.32 O
ATOM 1674 CB SER C 17 29.261 17.784 68.042 1.00 21.35 C
ATOM 1675 OG SER C 17 28.613 17.533 66.809 1.00 35.11 O
ATOM 1676 N THR C 18 27.711 17.321 70.783 1.00 15.63 N
ATOM 1677 CA THR C 18 26.761 16.548 71.582 1.00 14.76 C
ATOM 1678 C THR C 18 25.713 17.470 72.198 1.00 15.24 C
ATOM 1679 O THR C 18 24.518 17.154 72.195 1.00 16.57 O
ATOM 1680 CB THR C 18 27.469 15.759 72.706 1.00 16.73 C
ATOM 1681 OG1 THR C 18 28.479 14.912 72.140 1.00 17.92 O
ATOM 1682 CG2 THR C 18 26.469 14.893 73.466 1.00 18.22 C
ATOM 1683 N ALA C 19 26.161 18.620 72.700 1.00 13.24 N
ATOM 1684 CA ALA C 19 25.257 19.591 73.310 1.00 13.72 C
ATOM 1685 C ALA C 19 24.263 20.125 72.277 1.00 13.59 C
ATOM 1686 O ALA C 19 23.059 20.158 72.535 1.00 15.11 O
ATOM 1687 CB ALA C 19 26.046 20.731 73.922 1.00 11.15 C
ATOM 1688 N GLN C 20 24.772 20.496 71.100 1.00 13.65 N
ATOM 1689 CA GLN C 20 23.945 21.032 70.015 1.00 13.47 C
ATOM 1690 C GLN C 20 22.892 20.032 69.538 1.00 13.51 C
ATOM 1691 O GLN C 20 21.738 20.400 69.305 1.00 12.59 O
ATOM 1692 CB GLN C 20 24.823 21.464 68.834 1.00 14.94 C
ATOM 1693 CG GLN C 20 24.041 22.002 67.629 1.00 17.36 C
ATOM 1694 CD GLN C 20 24.926 22.309 66.428 1.00 19.92 C
ATOM 1695 OE1 GLN C 20 26.198 22.584 66.683 1.00 19.11 O
ATOM 1696 NE2 GLN C 20 24.465 22.305 65.285 1.00 22.16 N
ATOM 1697 N ALA C 21 23.293 18.769 69.413 1.00 13.99 N
ATOM 1698 CA ALA C 21 22.392 17.708 68.968 1.00 15.13 C
ATOM 1699 C ALA C 21 21.204 17.534 69.910 1.00 15.22 C
ATOM 1700 O ALA C 21 20.062 17.411 69.463 1.00 13.32 O
ATOM 1701 CB ALA C 21 23.152 16.404 68.833 1.00 16.84 C
ATOM 1702 N ALA C 22 21.477 17.545 71.213 1.00 14.52 N
ATOM 1703 CA ALA C 22 20.436 17.398 72.221 1.00 14.40 C
ATOM 1704 C ALA C 22 19.504 18.597 72.204 1.00 13.64 C
ATOM 1705 O ALA C 22 18.292 18.439 72.279 1.00 15.64 O
ATOM 1706 CB ALA C 22 21.056 17.245 73.594 1.00 16.98 C
ATOM 1707 N GLY C 23 20.081 19.794 72.114 1.00 12.43 N
ATOM 1708 CA GLY C 23 19.282 21.004 72.087 1.00 12.76 C
ATOM 1709 C GLY C 23 18.430 21.118 70.839 1.00 13.31 C
ATOM 1710 O GLY C 23 17.252 21.475 70.919 1.00 12.63 O
ATOM 1711 N TYR C 24 19.020 20.809 69.687 1.00 14.61 N
ATOM 1712 CA TYR C 24 18.295 20.875 68.423 1.00 14.89 C
ATOM 1713 C TYR C 24 17.140 19.875 68.375 1.00 15.52 C
ATOM 1714 O TYR C 24 16.077 20.191 67.848 1.00 16.40 O
ATOM 1715 CB TYR C 24 19.223 20.662 67.226 1.00 15.26 C
ATOM 1716 CG TYR C 24 18.502 20.882 65.920 1.00 16.55 C
ATOM 1717 CD1 TYR C 24 18.253 22.173 65.455 1.00 15.33 C
ATOM 1718 CD2 TYR C 24 17.981 19.806 65.198 1.00 15.69 C
ATOM 1719 CE1 TYR C 24 17.496 22.390 64.317 1.00 16.84 C
ATOM 1720 CE2 TYR C 24 17.220 20.011 64.058 1.00 15.66 C
ATOM 1721 CZ TYR C 24 16.978 21.306 63.627 1.00 16.74 C
ATOM 1722 OH TYR C 24 16.183 21.521 62.533 1.00 17.23 O
ATOM 1723 N LYS C 25 17.348 18.673 68.912 1.00 15.87 N
ATOM 1724 CA LYS C 25 16.292 17.661 68.938 1.00 17.74 C
ATOM 1725 C LYS C 25 15.060 18.188 69.673 1.00 15.76 C
ATOM 1726 O LYS C 25 13.933 17.985 69.220 1.00 16.76 O
ATOM 1727 CB LYS C 25 16.782 16.358 69.587 1.00 24.82 C
ATOM 1728 CG LYS C 25 15.748 15.222 69.596 1.00 32.85 C
ATOM 1729 CD LYS C 25 15.200 14.950 68.190 1.00 43.92 C
ATOM 1730 CE LYS C 25 14.047 13.945 68.200 1.00 49.83 C
ATOM 1731 NZ LYS C 25 13.264 13.964 66.922 1.00 52.65 N
ATOM 1732 N LEU C 26 15.270 18.867 70.801 1.00 13.57 N
ATOM 1733 CA LEU C 26 14.156 19.442 71.557 1.00 14.61 C
ATOM 1734 C LEU C 26 13.480 20.564 70.767 1.00 15.94 C
ATOM 1735 O LEU C 26 12.248 20.649 70.716 1.00 12.11 O
ATOM 1736 CB LEU C 26 14.629 19.987 72.908 1.00 17.44 C
ATOM 1737 CG LEU C 26 14.987 18.967 73.991 1.00 20.17 C
ATOM 1738 CD1 LEU C 26 15.434 19.702 75.235 1.00 23.75 C
ATOM 1739 CD2 LEU C 26 13.787 18.099 74.307 1.00 21.80 C
ATOM 1740 N HIS C 27 14.288 21.432 70.160 1.00 14.36 N
ATOM 1741 CA HIS C 27 13.746 22.536 69.378 1.00 16.07 C
ATOM 1742 C HIS C 27 12.868 22.012 68.237 1.00 18.81 C
ATOM 1743 O HIS C 27 11.749 22.486 68.029 1.00 20.67 O
ATOM 1744 CB HIS C 27 14.863 23.404 68.803 1.00 13.75 C
ATOM 1745 CG HIS C 27 14.362 24.478 67.890 1.00 18.38 C
ATOM 1746 ND1 HIS C 27 13.489 25.458 68.308 1.00 15.44 N
ATOM 1747 CD2 HIS C 27 14.548 24.680 66.562 1.00 16.98 C
ATOM 1748 CE1 HIS C 27 13.152 26.214 67.279 1.00 17.48 C
ATOM 1749 NE2 HIS C 27 13.783 25.764 66.207 1.00 17.93 N
ATOM 1750 N GLU C 28 13.390 21.030 67.512 1.00 18.92 N
ATOM 1751 CA GLU C 28 12.693 20.405 66.401 1.00 23.37 C
ATOM 1752 C GLU C 28 11.351 19.791 66.823 1.00 26.16 C
ATOM 1753 O GLU C 28 10.386 19.805 66.052 1.00 25.70 O
ATOM 1754 CB GLU C 28 13.593 19.336 65.802 1.00 26.18 C
ATOM 1755 CG GLU C 28 12.975 18.534 64.694 1.00 33.78 C
ATOM 1756 CD GLU C 28 13.913 17.463 64.207 1.00 38.38 C
ATOM 1757 OE1 GLU C 28 14.076 16.448 64.922 1.00 41.23 O
ATOM 1758 OE2 GLU C 28 14.504 17.649 63.123 1.00 39.94 O
ATOM 1759 N ASP C 29 11.302 19.235 68.032 1.00 25.96 N
ATOM 1760 CA ASP C 29 10.078 18.633 68.557 1.00 26.55 C
ATOM 1761 C ASP C 29 9.147 19.665 69.178 1.00 27.45 C
ATOM 1762 O ASP C 29 7.970 19.385 69.398 1.00 30.92 O
ATOM 1763 CB ASP C 29 10.395 17.566 69.605 1.00 30.20 C
ATOM 1764 CG ASP C 29 11.032 16.325 69.011 1.00 37.05 C
ATOM 1765 OD1 ASP C 29 10.919 16.108 67.781 1.00 37.50 O
ATOM 1766 OD2 ASP C 29 11.647 15.564 69.790 1.00 40.32 O
ATOM 1767 N GLY C 30 9.683 20.844 69.484 1.00 25.86 N
ATOM 1768 CA GLY C 30 8.879 21.898 70.080 1.00 24.87 C
ATOM 1769 C GLY C 30 8.777 21.791 71.589 1.00 26.57 C
ATOM 1770 O GLY C 30 7.842 22.321 72.188 1.00 26.70 O
ATOM 1771 N GLU C 31 9.737 21.099 72.199 1.00 25.88 N
ATOM 1772 CA GLU C 31 9.774 20.918 73.647 1.00 24.53 C
ATOM 1773 C GLU C 31 10.865 21.776 74.282 1.00 23.92 C
ATOM 1774 O GLU C 31 11.791 22.220 73.604 1.00 22.56 O
ATOM 1775 CB GLU C 31 10.052 19.457 73.990 1.00 31.79 C
ATOM 1776 CG GLU C 31 8.999 18.473 73.526 1.00 44.02 C
ATOM 1777 CD GLU C 31 9.385 17.039 73.845 1.00 53.55 C
ATOM 1778 OE1 GLU C 31 9.114 16.590 74.984 1.00 59.15 O
ATOM 1779 OE2 GLU C 31 9.971 16.368 72.963 1.00 55.24 O
ATOM 1780 N THR C 32 10.744 22.011 75.587 1.00 18.95 N
ATOM 1781 CA THR C 32 11.726 22.790 76.336 1.00 18.29 C
ATOM 1782 C THR C 32 11.913 22.148 77.704 1.00 20.20 C
ATOM 1783 O THR C 32 11.116 21.299 78.108 1.00 19.48 O
ATOM 1784 CB THR C 32 11.289 24.260 76.556 1.00 20.21 C
ATOM 1785 OG1 THR C 32 10.043 24.290 77.258 1.00 23.08 O
ATOM 1786 CG2 THR C 32 11.160 25.009 75.230 1.00 18.62 C
ATOM 1787 N VAL C 33 12.985 22.530 78.396 1.00 18.77 N
ATOM 1788 CA VAL C 33 13.294 22.015 79.733 1.00 19.29 C
ATOM 1789 C VAL C 33 13.903 23.128 80.584 1.00 20.34 C
ATOM 1790 O VAL C 33 14.539 24.044 80.057 1.00 18.86 O
ATOM 1791 CB VAL C 33 14.285 20.812 79.700 1.00 18.13 C
ATOM 1792 CG1 VAL C 33 13.639 19.595 79.054 1.00 18.53 C
ATOM 1793 CG2 VAL C 33 15.559 21.193 78.962 1.00 19.42 C
ATOM 1794 N GLY C 34 13.706 23.037 81.899 1.00 19.42 N
ATOM 1795 CA GLY C 34 14.235 24.035 82.816 1.00 18.82 C
ATOM 1796 C GLY C 34 13.279 25.196 83.009 1.00 20.39 C
ATOM 1797 O GLY C 34 12.352 25.380 82.219 1.00 19.65 O
ATOM 1798 N SER C 35 13.511 25.994 84.048 1.00 22.01 N
ATOM 1799 CA SER C 35 12.651 27.139 84.340 1.00 24.56 C
ATOM 1800 C SER C 35 12.766 28.237 83.281 1.00 23.48 C
ATOM 1801 O SER C 35 11.848 29.047 83.123 1.00 23.45 O
ATOM 1802 CB SER C 35 12.941 27.707 85.741 1.00 25.99 C
ATOM 1803 OG SER C 35 14.173 28.410 85.792 1.00 32.23 O
ATOM 1804 N ASN C 36 13.881 28.246 82.547 1.00 22.44 N
ATOM 1805 CA ASN C 36 14.111 29.237 81.497 1.00 20.95 C
ATOM 1806 C ASN C 36 13.766 28.732 80.098 1.00 20.01 C
ATOM 1807 O ASN C 36 14.126 29.357 79.100 1.00 19.98 O
ATOM 1808 CB ASN C 36 15.553 29.732 81.538 1.00 26.33 C
ATOM 1809 CG ASN C 36 15.862 30.496 82.800 1.00 27.96 C
ATOM 1810 OD1 ASN C 36 15.447 31.642 82.956 1.00 32.16 O
ATOM 1811 ND2 ASN C 36 16.578 29.862 83.717 1.00 32.09 N
ATOM 1812 N SER C 37 13.106 27.577 80.042 1.00 18.44 N
ATOM 1813 CA SER C 37 12.653 26.964 78.792 1.00 17.82 C
ATOM 1814 C SER C 37 13.682 26.847 77.667 1.00 16.83 C
ATOM 1815 O SER C 37 13.531 27.458 76.606 1.00 18.66 O
ATOM 1816 CB SER C 37 11.414 27.701 78.277 1.00 16.67 C
ATOM 1817 OG SER C 37 10.398 27.723 79.265 1.00 27.17 O
ATOM 1818 N TYR C 38 14.711 26.040 77.889 1.00 15.04 N
ATOM 1819 CA TYR C 38 15.744 25.828 76.880 1.00 13.94 C
ATOM 1820 C TYR C 38 15.316 24.708 75.932 1.00 13.31 C
ATOM 1821 O TYR C 38 14.675 23.747 76.351 1.00 17.36 O
ATOM 1822 CB TYR C 38 17.072 25.460 77.548 1.00 11.98 C
ATOM 1823 CG TYR C 38 17.654 26.572 78.389 1.00 11.63 C
ATOM 1824 CD1 TYR C 38 18.269 27.677 77.792 1.00 11.46 C
ATOM 1825 CD2 TYR C 38 17.586 26.524 79.783 1.00 11.88 C
ATOM 1826 CE1 TYR C 38 18.804 28.710 78.563 1.00 13.45 C
ATOM 1827 CE2 TYR C 38 18.110 27.546 80.563 1.00 10.91 C
ATOM 1828 CZ TYR C 38 18.717 28.637 79.950 1.00 15.26 C
ATOM 1829 OH TYR C 38 19.217 29.658 80.727 1.00 15.79 O
ATOM 1830 N PRO C 39 15.627 24.840 74.631 1.00 13.37 N
ATOM 1831 CA PRO C 39 16.340 25.973 74.030 1.00 14.04 C
ATOM 1832 C PRO C 39 15.396 27.149 73.756 1.00 14.09 C
ATOM 1833 O PRO C 39 14.250 26.946 73.358 1.00 14.48 O
ATOM 1834 CB PRO C 39 16.887 25.371 72.735 1.00 13.40 C
ATOM 1835 CG PRO C 39 15.831 24.392 72.352 1.00 12.47 C
ATOM 1836 CD PRO C 39 15.481 23.736 73.664 1.00 13.92 C
ATOM 1837 N HIS C 40 15.859 28.371 74.007 1.00 12.23 N
ATOM 1838 CA HIS C 40 15.022 29.539 73.764 1.00 12.96 C
ATOM 1839 C HIS C 40 15.687 30.519 72.804 1.00 12.35 C
ATOM 1840 O HIS C 40 16.899 30.471 72.599 1.00 11.18 O
ATOM 1841 CB HIS C 40 14.610 30.226 75.083 1.00 12.30 C
ATOM 1842 CG HIS C 40 15.726 30.928 75.798 1.00 13.74 C
ATOM 1843 ND1 HIS C 40 16.218 32.151 75.391 1.00 11.59 N
ATOM 1844 CD2 HIS C 40 16.394 30.616 76.934 1.00 10.11 C
ATOM 1845 CE1 HIS C 40 17.134 32.564 76.248 1.00 12.65 C
ATOM 1846 NE2 HIS C 40 17.261 31.650 77.194 1.00 11.75 N
ATOM 1847 N LYS C 41 14.878 31.372 72.183 1.00 11.17 N
ATOM 1848 CA LYS C 41 15.376 32.361 71.234 1.00 13.92 C
ATOM 1849 C LYS C 41 16.461 33.257 71.813 1.00 13.04 C
ATOM 1850 O LYS C 41 16.377 33.707 72.956 1.00 11.96 O
ATOM 1851 CB LYS C 41 14.234 33.237 70.708 1.00 15.64 C
ATOM 1852 CG LYS C 41 13.408 32.589 69.615 1.00 18.93 C
ATOM 1853 CD LYS C 41 12.294 33.515 69.164 1.00 16.72 C
ATOM 1854 CE LYS C 41 11.478 32.897 68.055 1.00 16.66 C
ATOM 1855 NZ LYS C 41 10.257 33.701 67.784 1.00 15.92 N
ATOM 1856 N TYR C 42 17.497 33.468 71.012 1.00 10.63 N
ATOM 1857 CA TYR C 42 18.619 34.315 71.364 1.00 9.99 C
ATOM 1858 C TYR C 42 18.544 35.437 70.335 1.00 11.96 C
ATOM 1859 O TYR C 42 18.786 35.213 69.142 1.00 9.59 O
ATOM 1860 CB TYR C 42 19.932 33.533 71.236 1.00 9.18 C
ATOM 1861 CG TYR C 42 21.147 34.363 71.535 1.00 11.61 C
ATOM 1862 CD1 TYR C 42 21.454 34.743 72.849 1.00 12.93 C
ATOM 1863 CD2 TYR C 42 21.959 34.833 70.501 1.00 13.38 C
ATOM 1864 CE1 TYR C 42 22.537 35.579 73.119 1.00 11.88 C
ATOM 1865 CE2 TYR C 42 23.040 35.668 70.759 1.00 13.65 C
ATOM 1866 CZ TYR C 42 23.320 36.041 72.067 1.00 12.57 C
ATOM 1867 OH TYR C 42 24.356 36.909 72.304 1.00 15.57 O
ATOM 1868 N ASN C 43 18.181 36.633 70.795 1.00 9.47 N
ATOM 1869 CA ASN C 43 18.011 37.778 69.902 1.00 12.01 C
ATOM 1870 C ASN C 43 19.268 38.483 69.416 1.00 12.53 C
ATOM 1871 O ASN C 43 19.198 39.328 68.519 1.00 10.82 O
ATOM 1872 CB ASN C 43 17.045 38.789 70.520 1.00 14.30 C
ATOM 1873 CG ASN C 43 15.672 38.197 70.779 1.00 16.09 C
ATOM 1874 OD1 ASN C 43 15.175 37.383 70.003 1.00 15.11 O
ATOM 1875 ND2 ASN C 43 15.058 38.596 71.883 1.00 18.83 N
ATOM 1876 N ASN C 44 20.408 38.098 69.978 1.00 10.41 N
ATOM 1877 CA ASN C 44 21.712 38.666 69.644 1.00 12.35 C
ATOM 1878 C ASN C 44 21.861 40.130 70.072 1.00 13.88 C
ATOM 1879 O ASN C 44 22.308 40.975 69.294 1.00 12.82 O
ATOM 1880 CB ASN C 44 22.021 38.495 68.149 1.00 14.51 C
ATOM 1881 CG ASN C 44 23.510 38.575 67.842 1.00 17.44 C
ATOM 1882 OD1 ASN C 44 24.349 38.468 68.740 1.00 13.22 O
ATOM 1883 ND2 ASN C 44 23.845 38.755 66.564 1.00 13.09 N
ATOM 1884 N TYR C 45 21.489 40.425 71.318 1.00 15.07 N
ATOM 1885 CA TYR C 45 21.613 41.777 71.858 1.00 15.58 C
ATOM 1886 C TYR C 45 23.090 42.161 71.928 1.00 15.65 C
ATOM 1887 O TYR C 45 23.428 43.342 71.875 1.00 15.65 O
ATOM 1888 CB TYR C 45 21.033 41.870 73.271 1.00 15.01 C
ATOM 1889 CG TYR C 45 19.551 41.606 73.394 1.00 17.86 C
ATOM 1890 CD1 TYR C 45 18.665 41.907 72.352 1.00 18.55 C
ATOM 1891 CD2 TYR C 45 19.030 41.056 74.564 1.00 17.73 C
ATOM 1892 CE1 TYR C 45 17.296 41.660 72.479 1.00 20.57 C
ATOM 1893 CE2 TYR C 45 17.672 40.806 74.700 1.00 19.95 C
ATOM 1894 CZ TYR C 45 16.811 41.106 73.658 1.00 21.25 C
ATOM 1895 OH TYR C 45 15.475 40.832 73.800 1.00 21.09 O
ATOM 1896 N GLU C 46 23.960 41.163 72.088 1.00 12.36 N
ATOM 1897 CA GLU C 46 25.404 41.400 72.167 1.00 13.91 C
ATOM 1898 C GLU C 46 26.019 41.740 70.810 1.00 14.21 C
ATOM 1899 O GLU C 46 27.140 42.248 70.746 1.00 14.35 O
ATOM 1900 CB GLU C 46 26.133 40.193 72.765 1.00 13.41 C
ATOM 1901 CG GLU C 46 26.029 40.066 74.278 1.00 13.79 C
ATOM 1902 CD GLU C 46 24.674 39.582 74.774 1.00 11.33 C
ATOM 1903 OE1 GLU C 46 23.898 38.974 74.003 1.00 10.59 O
ATOM 1904 OE2 GLU C 46 24.397 39.789 75.969 1.00 12.78 O
ATOM 1905 N GLY C 47 25.298 41.428 69.734 1.00 11.34 N
ATOM 1906 CA GLY C 47 25.783 41.720 68.395 1.00 14.17 C
ATOM 1907 C GLY C 47 26.930 40.855 67.896 1.00 13.96 C
ATOM 1908 O GLY C 47 27.850 41.360 67.253 1.00 11.03 O
ATOM 1909 N PHE C 48 26.908 39.563 68.211 1.00 12.63 N
ATOM 1910 CA PHE C 48 27.962 38.670 67.739 1.00 14.46 C
ATOM 1911 C PHE C 48 27.815 38.575 66.228 1.00 13.67 C
ATOM 1912 O PHE C 48 26.700 38.482 65.716 1.00 13.87 O
ATOM 1913 CB PHE C 48 27.842 37.288 68.381 1.00 13.36 C
ATOM 1914 CG PHE C 48 28.131 37.282 69.854 1.00 17.10 C
ATOM 1915 CD1 PHE C 48 29.405 37.581 70.325 1.00 18.55 C
ATOM 1916 CD2 PHE C 48 27.134 36.988 70.773 1.00 14.41 C
ATOM 1917 CE1 PHE C 48 29.679 37.587 71.696 1.00 18.89 C
ATOM 1918 CE2 PHE C 48 27.399 36.992 72.143 1.00 16.39 C
ATOM 1919 CZ PHE C 48 28.672 37.292 72.605 1.00 15.13 C
ATOM 1920 N ASP C 49 28.932 38.655 65.518 1.00 15.57 N
ATOM 1921 CA ASP C 49 28.916 38.604 64.062 1.00 19.27 C
ATOM 1922 C ASP C 49 28.864 37.183 63.528 1.00 20.09 C
ATOM 1923 O ASP C 49 29.783 36.732 62.849 1.00 20.21 O
ATOM 1924 CB ASP C 49 30.127 39.350 63.503 1.00 25.11 C
ATOM 1925 CG ASP C 49 30.175 40.796 63.954 1.00 31.03 C
ATOM 1926 OD1 ASP C 49 29.103 41.376 64.232 1.00 24.53 O
ATOM 1927 OD2 ASP C 49 31.292 41.347 64.044 1.00 38.21 O
ATOM 1928 N PHE C 50 27.769 36.490 63.834 1.00 16.37 N
ATOM 1929 CA PHE C 50 27.560 35.110 63.408 1.00 17.37 C
ATOM 1930 C PHE C 50 27.582 34.956 61.889 1.00 17.45 C
ATOM 1931 O PHE C 50 27.012 35.773 61.169 1.00 18.63 O
ATOM 1932 CB PHE C 50 26.227 34.597 63.952 1.00 14.17 C
ATOM 1933 CG PHE C 50 26.166 34.531 65.453 1.00 17.13 C
ATOM 1934 CD1 PHE C 50 27.187 33.918 66.179 1.00 15.91 C
ATOM 1935 CD2 PHE C 50 25.070 35.049 66.140 1.00 16.97 C
ATOM 1936 CE1 PHE C 50 27.116 33.817 67.577 1.00 19.14 C
ATOM 1937 CE2 PHE C 50 24.985 34.954 67.538 1.00 18.90 C
ATOM 1938 CZ PHE C 50 26.012 34.334 68.256 1.00 19.34 C
ATOM 1939 N SER C 51 28.240 33.900 61.418 1.00 18.00 N
ATOM 1940 CA SER C 51 28.348 33.604 59.988 1.00 21.03 C
ATOM 1941 C SER C 51 27.082 32.975 59.411 1.00 21.50 C
ATOM 1942 O SER C 51 26.890 32.962 58.193 1.00 24.20 O
ATOM 1943 CB SER C 51 29.527 32.663 59.727 1.00 20.94 C
ATOM 1944 OG SER C 51 30.757 33.351 59.851 1.00 34.10 O
ATOM 1945 N VAL C 52 26.253 32.405 60.281 1.00 17.72 N
ATOM 1946 CA VAL C 52 25.010 31.769 59.860 1.00 15.65 C
ATOM 1947 C VAL C 52 23.834 32.678 60.206 1.00 16.01 C
ATOM 1948 O VAL C 52 23.950 33.551 61.066 1.00 16.43 O
ATOM 1949 CB VAL C 52 24.849 30.369 60.511 1.00 16.47 C
ATOM 1950 CG1 VAL C 52 25.966 29.445 60.039 1.00 13.09 C
ATOM 1951 CG2 VAL C 52 24.877 30.480 62.025 1.00 13.78 C
ATOM 1952 N SER C 53 22.701 32.474 59.545 1.00 16.24 N
ATOM 1953 CA SER C 53 21.535 33.318 59.774 1.00 18.10 C
ATOM 1954 C SER C 53 20.621 32.941 60.935 1.00 17.81 C
ATOM 1955 O SER C 53 20.622 31.803 61.408 1.00 15.83 O
ATOM 1956 CB SER C 53 20.721 33.437 58.484 1.00 23.36 C
ATOM 1957 OG SER C 53 20.642 32.199 57.809 1.00 28.63 O
ATOM 1958 N SER C 54 19.856 33.924 61.403 1.00 15.35 N
ATOM 1959 CA SER C 54 18.901 33.712 62.486 1.00 16.99 C
ATOM 1960 C SER C 54 17.650 32.993 61.934 1.00 17.25 C
ATOM 1961 O SER C 54 17.530 32.800 60.719 1.00 16.45 O
ATOM 1962 CB SER C 54 18.523 35.053 63.118 1.00 17.99 C
ATOM 1963 OG SER C 54 17.834 35.876 62.202 1.00 20.40 O
ATOM 1964 N PRO C 55 16.702 32.592 62.811 1.00 17.16 N
ATOM 1965 CA PRO C 55 16.674 32.743 64.273 1.00 15.22 C
ATOM 1966 C PRO C 55 17.718 31.900 64.996 1.00 14.89 C
ATOM 1967 O PRO C 55 18.055 30.799 64.552 1.00 14.56 O
ATOM 1968 CB PRO C 55 15.253 32.305 64.632 1.00 16.54 C
ATOM 1969 CG PRO C 55 14.947 31.277 63.595 1.00 15.18 C
ATOM 1970 CD PRO C 55 15.479 31.916 62.338 1.00 14.18 C
ATOM 1971 N TYR C 56 18.264 32.458 66.075 1.00 13.66 N
ATOM 1972 CA TYR C 56 19.272 31.787 66.896 1.00 9.61 C
ATOM 1973 C TYR C 56 18.610 31.290 68.172 1.00 9.39 C
ATOM 1974 O TYR C 56 17.615 31.858 68.618 1.00 6.87 O
ATOM 1975 CB TYR C 56 20.386 32.762 67.281 1.00 11.10 C
ATOM 1976 CG TYR C 56 21.064 33.444 66.118 1.00 14.01 C
ATOM 1977 CD1 TYR C 56 21.768 32.710 65.164 1.00 12.86 C
ATOM 1978 CD2 TYR C 56 20.997 34.826 65.968 1.00 13.78 C
ATOM 1979 CE1 TYR C 56 22.382 33.338 64.089 1.00 13.67 C
ATOM 1980 CE2 TYR C 56 21.606 35.464 64.895 1.00 14.02 C
ATOM 1981 CZ TYR C 56 22.292 34.716 63.959 1.00 13.18 C
ATOM 1982 OH TYR C 56 22.853 35.342 62.872 1.00 13.93 O
ATOM 1983 N TYR C 57 19.161 30.226 68.748 1.00 8.98 N
ATOM 1984 CA TYR C 57 18.645 29.654 69.990 1.00 11.16 C
ATOM 1985 C TYR C 57 19.818 29.302 70.887 1.00 11.40 C
ATOM 1986 O TYR C 57 20.864 28.863 70.403 1.00 13.20 O
ATOM 1987 CB TYR C 57 17.829 28.377 69.728 1.00 11.57 C
ATOM 1988 CG TYR C 57 16.631 28.598 68.844 1.00 15.13 C
ATOM 1989 CD1 TYR C 57 16.757 28.550 67.454 1.00 17.41 C
ATOM 1990 CD2 TYR C 57 15.387 28.926 69.385 1.00 14.74 C
ATOM 1991 CE1 TYR C 57 15.684 28.831 66.622 1.00 16.04 C
ATOM 1992 CE2 TYR C 57 14.297 29.213 68.554 1.00 17.49 C
ATOM 1993 CZ TYR C 57 14.460 29.164 67.171 1.00 18.47 C
ATOM 1994 OH TYR C 57 13.409 29.448 66.325 1.00 21.26 O
ATOM 1995 N GLU C 58 19.668 29.539 72.188 1.00 11.27 N
ATOM 1996 CA GLU C 58 20.729 29.191 73.126 1.00 12.44 C
ATOM 1997 C GLU C 58 20.356 27.933 73.915 1.00 10.97 C
ATOM 1998 O GLU C 58 19.206 27.748 74.305 1.00 11.85 O
ATOM 1999 CB GLU C 58 21.079 30.363 74.053 1.00 12.83 C
ATOM 2000 CG GLU C 58 19.925 30.942 74.843 1.00 10.96 C
ATOM 2001 CD GLU C 58 20.395 31.753 76.034 1.00 14.06 C
ATOM 2002 OE1 GLU C 58 21.029 31.173 76.936 1.00 15.79 O
ATOM 2003 OE2 GLU C 58 20.133 32.968 76.078 1.00 10.93 O
ATOM 2004 N TRP C 59 21.335 27.051 74.088 1.00 12.24 N
ATOM 2005 CA TRP C 59 21.164 25.791 74.801 1.00 10.55 C
ATOM 2006 C TRP C 59 22.362 25.639 75.741 1.00 9.76 C
ATOM 2007 O TRP C 59 23.501 25.847 75.333 1.00 10.55 O
ATOM 2008 CB TRP C 59 21.123 24.638 73.792 1.00 8.89 C
ATOM 2009 CG TRP C 59 21.138 23.266 74.412 1.00 12.85 C
ATOM 2010 CD1 TRP C 59 22.197 22.391 74.457 1.00 13.51 C
ATOM 2011 CD2 TRP C 59 20.047 22.604 75.063 1.00 13.15 C
ATOM 2012 NE1 TRP C 59 21.825 21.230 75.094 1.00 14.97 N
ATOM 2013 CE2 TRP C 59 20.512 21.334 75.476 1.00 13.00 C
ATOM 2014 CE3 TRP C 59 18.721 22.959 75.337 1.00 12.47 C
ATOM 2015 CZ2 TRP C 59 19.694 20.419 76.146 1.00 14.32 C
ATOM 2016 CZ3 TRP C 59 17.909 22.046 76.005 1.00 11.85 C
ATOM 2017 CH2 TRP C 59 18.401 20.792 76.400 1.00 12.60 C
ATOM 2018 N PRO C 60 22.120 25.269 77.009 1.00 9.07 N
ATOM 2019 CA PRO C 60 23.217 25.110 77.967 1.00 11.13 C
ATOM 2020 C PRO C 60 24.167 23.969 77.639 1.00 12.02 C
ATOM 2021 O PRO C 60 23.749 22.915 77.146 1.00 12.21 O
ATOM 2022 CB PRO C 60 22.491 24.820 79.290 1.00 10.32 C
ATOM 2023 CG PRO C 60 21.122 25.366 79.092 1.00 11.54 C
ATOM 2024 CD PRO C 60 20.825 25.005 77.661 1.00 9.58 C
ATOM 2025 N ILE C 61 25.455 24.220 77.850 1.00 12.31 N
ATOM 2026 CA ILE C 61 26.477 23.199 77.670 1.00 12.15 C
ATOM 2027 C ILE C 61 27.141 23.110 79.046 1.00 12.18 C
ATOM 2028 O ILE C 61 27.498 24.130 79.638 1.00 11.56 O
ATOM 2029 CB ILE C 61 27.475 23.510 76.516 1.00 11.85 C
ATOM 2030 CG1 ILE C 61 28.492 22.368 76.393 1.00 14.27 C
ATOM 2031 CG2 ILE C 61 28.152 24.865 76.708 1.00 12.80 C
ATOM 2032 CD1 ILE C 61 29.394 22.449 75.168 1.00 13.41 C
ATOM 2033 N LEU C 62 27.218 21.893 79.582 1.00 12.62 N
ATOM 2034 CA LEU C 62 27.762 21.650 80.919 1.00 13.52 C
ATOM 2035 C LEU C 62 29.232 21.266 80.971 1.00 14.32 C
ATOM 2036 O LEU C 62 29.683 20.411 80.214 1.00 15.15 O
ATOM 2037 CB LEU C 62 26.921 20.578 81.624 1.00 14.37 C
ATOM 2038 CG LEU C 62 25.408 20.829 81.665 1.00 14.58 C
ATOM 2039 CD1 LEU C 62 24.734 19.746 82.492 1.00 15.08 C
ATOM 2040 CD2 LEU C 62 25.113 22.201 82.256 1.00 15.75 C
ATOM 2041 N SER C 63 29.959 21.854 81.917 1.00 17.68 N
ATOM 2042 CA SER C 63 31.391 21.591 82.060 1.00 21.88 C
ATOM 2043 C SER C 63 31.727 20.138 82.370 1.00 23.01 C
ATOM 2044 O SER C 63 32.808 19.660 82.029 1.00 25.89 O
ATOM 2045 CB SER C 63 32.023 22.519 83.109 1.00 20.47 C
ATOM 2046 OG SER C 63 31.540 22.256 84.412 1.00 21.73 O
ATOM 2047 N SER C 64 30.786 19.428 82.980 1.00 24.20 N
ATOM 2048 CA SER C 64 30.993 18.027 83.333 1.00 25.51 C
ATOM 2049 C SER C 64 30.824 17.093 82.135 1.00 26.93 C
ATOM 2050 O SER C 64 31.062 15.894 82.238 1.00 28.28 O
ATOM 2051 CB SER C 64 30.024 17.625 84.448 1.00 26.83 C
ATOM 2052 OG SER C 64 28.676 17.827 84.053 1.00 25.39 O
ATOM 2053 N GLY C 65 30.414 17.646 80.998 1.00 26.49 N
ATOM 2054 CA GLY C 65 30.213 16.827 79.815 1.00 26.29 C
ATOM 2055 C GLY C 65 28.806 16.254 79.718 1.00 26.72 C
ATOM 2056 O GLY C 65 28.407 15.770 78.656 1.00 28.85 O
ATOM 2057 N ASP C 66 28.059 16.289 80.824 1.00 23.98 N
ATOM 2058 CA ASP C 66 26.685 15.784 80.852 1.00 23.31 C
ATOM 2059 C ASP C 66 25.790 16.662 79.998 1.00 22.31 C
ATOM 2060 O ASP C 66 26.013 17.868 79.908 1.00 23.49 O
ATOM 2061 CB ASP C 66 26.124 15.795 82.277 1.00 26.21 C
ATOM 2062 CG ASP C 66 26.776 14.765 83.176 1.00 32.73 C
ATOM 2063 OD1 ASP C 66 27.058 13.642 82.702 1.00 33.70 O
ATOM 2064 OD2 ASP C 66 26.994 15.081 84.365 1.00 33.09 O
ATOM 2065 N VAL C 67 24.776 16.058 79.381 1.00 18.37 N
ATOM 2066 CA VAL C 67 23.824 16.803 78.561 1.00 19.21 C
ATOM 2067 C VAL C 67 22.786 17.451 79.483 1.00 18.22 C
ATOM 2068 O VAL C 67 22.240 16.791 80.369 1.00 17.84 O
ATOM 2069 CB VAL C 67 23.111 15.879 77.542 1.00 20.66 C
ATOM 2070 CG1 VAL C 67 22.055 16.654 76.777 1.00 19.71 C
ATOM 2071 CG2 VAL C 67 24.124 15.277 76.580 1.00 21.99 C
ATOM 2072 N TYR C 68 22.534 18.744 79.287 1.00 16.95 N
ATOM 2073 CA TYR C 68 21.566 19.475 80.107 1.00 17.11 C
ATOM 2074 C TYR C 68 20.165 18.868 80.012 1.00 17.59 C
ATOM 2075 O TYR C 68 19.655 18.617 78.919 1.00 15.73 O
ATOM 2076 CB TYR C 68 21.527 20.955 79.713 1.00 12.40 C
ATOM 2077 CG TYR C 68 20.531 21.771 80.515 1.00 13.45 C
ATOM 2078 CD1 TYR C 68 20.821 22.175 81.818 1.00 13.07 C
ATOM 2079 CD2 TYR C 68 19.292 22.125 79.978 1.00 13.36 C
ATOM 2080 CE1 TYR C 68 19.902 22.907 82.569 1.00 12.61 C
ATOM 2081 CE2 TYR C 68 18.365 22.863 80.723 1.00 14.19 C
ATOM 2082 CZ TYR C 68 18.680 23.245 82.016 1.00 13.37 C
ATOM 2083 OH TYR C 68 17.778 23.961 82.763 1.00 15.74 O
ATOM 2084 N SER C 69 19.543 18.651 81.166 1.00 18.46 N
ATOM 2085 CA SER C 69 18.213 18.064 81.198 1.00 21.96 C
ATOM 2086 C SER C 69 17.265 18.669 82.234 1.00 22.58 C
ATOM 2087 O SER C 69 16.414 17.963 82.772 1.00 25.75 O
ATOM 2088 CB SER C 69 18.305 16.546 81.390 1.00 23.49 C
ATOM 2089 OG SER C 69 18.924 16.229 82.623 1.00 29.71 O
ATOM 2090 N GLY C 70 17.436 19.950 82.555 1.00 20.49 N
ATOM 2091 CA GLY C 70 16.520 20.572 83.492 1.00 20.04 C
ATOM 2092 C GLY C 70 17.017 21.261 84.747 1.00 21.68 C
ATOM 2093 O GLY C 70 16.278 22.061 85.333 1.00 24.30 O
ATOM 2094 N GLY C 71 18.237 20.974 85.182 1.00 19.35 N
ATOM 2095 CA GLY C 71 18.717 21.614 86.398 1.00 19.62 C
ATOM 2096 C GLY C 71 19.177 23.046 86.199 1.00 18.66 C
ATOM 2097 O GLY C 71 18.575 23.813 85.442 1.00 17.55 O
ATOM 2098 N SER C 72 20.220 23.424 86.931 1.00 20.09 N
ATOM 2099 CA SER C 72 20.804 24.753 86.810 1.00 19.29 C
ATOM 2100 C SER C 72 21.605 24.673 85.507 1.00 16.17 C
ATOM 2101 O SER C 72 22.358 23.726 85.299 1.00 14.98 O
ATOM 2102 CB SER C 72 21.731 25.029 87.994 1.00 22.25 C
ATOM 2103 OG SER C 72 22.259 26.342 87.933 1.00 31.63 O
ATOM 2104 N PRO C 73 21.414 25.636 84.593 1.00 14.60 N
ATOM 2105 CA PRO C 73 22.131 25.634 83.312 1.00 12.90 C
ATOM 2106 C PRO C 73 23.591 26.079 83.336 1.00 14.68 C
ATOM 2107 O PRO C 73 24.338 25.811 82.395 1.00 13.36 O
ATOM 2108 CB PRO C 73 21.287 26.573 82.464 1.00 13.47 C
ATOM 2109 CG PRO C 73 20.846 27.591 83.459 1.00 14.09 C
ATOM 2110 CD PRO C 73 20.433 26.735 84.643 1.00 11.92 C
ATOM 2111 N GLY C 74 23.999 26.768 84.396 1.00 13.19 N
ATOM 2112 CA GLY C 74 25.370 27.232 84.463 1.00 11.44 C
ATOM 2113 C GLY C 74 25.525 28.478 83.613 1.00 10.17 C
ATOM 2114 O GLY C 74 24.538 29.077 83.183 1.00 8.48 O
ATOM 2115 N ALA C 75 26.765 28.828 83.311 1.00 9.63 N
ATOM 2116 CA ALA C 75 27.069 30.028 82.541 1.00 11.79 C
ATOM 2117 C ALA C 75 27.291 29.843 81.043 1.00 12.15 C
ATOM 2118 O ALA C 75 27.189 30.804 80.282 1.00 12.37 O
ATOM 2119 CB ALA C 75 28.296 30.721 83.155 1.00 8.50 C
ATOM 2120 N ASP C 76 27.578 28.614 80.627 1.00 11.53 N
ATOM 2121 CA ASP C 76 27.899 28.324 79.235 1.00 11.63 C
ATOM 2122 C ASP C 76 26.746 27.944 78.326 1.00 10.58 C
ATOM 2123 O ASP C 76 25.865 27.166 78.707 1.00 11.71 O
ATOM 2124 CB ASP C 76 28.999 27.255 79.177 1.00 11.43 C
ATOM 2125 CG ASP C 76 30.197 27.592 80.076 1.00 15.06 C
ATOM 2126 OD1 ASP C 76 30.396 28.779 80.403 1.00 12.55 O
ATOM 2127 OD2 ASP C 76 30.935 26.670 80.471 1.00 15.23 O
ATOM 2128 N ARG C 77 26.806 28.441 77.089 1.00 8.74 N
ATOM 2129 CA ARG C 77 25.764 28.184 76.096 1.00 9.28 C
ATOM 2130 C ARG C 77 26.280 27.923 74.688 1.00 10.14 C
ATOM 2131 O ARG C 77 27.285 28.492 74.268 1.00 11.13 O
ATOM 2132 CB ARG C 77 24.845 29.409 75.974 1.00 9.48 C
ATOM 2133 CG ARG C 77 24.222 29.914 77.252 1.00 10.14 C
ATOM 2134 CD ARG C 77 23.119 29.009 77.768 1.00 7.86 C
ATOM 2135 NE ARG C 77 22.579 29.563 79.005 1.00 10.90 N
ATOM 2136 CZ ARG C 77 23.053 29.300 80.221 1.00 13.16 C
ATOM 2137 NH1 ARG C 77 24.073 28.467 80.383 1.00 12.40 N
ATOM 2138 NH2 ARG C 77 22.563 29.945 81.269 1.00 11.08 N
ATOM 2139 N VAL C 78 25.587 27.054 73.961 1.00 11.32 N
ATOM 2140 CA VAL C 78 25.908 26.830 72.557 1.00 12.86 C
ATOM 2141 C VAL C 78 24.750 27.537 71.851 1.00 12.22 C
ATOM 2142 O VAL C 78 23.613 27.509 72.335 1.00 12.72 O
ATOM 2143 CB VAL C 78 25.939 25.325 72.122 1.00 14.63 C
ATOM 2144 CG1 VAL C 78 27.032 24.582 72.843 1.00 13.93 C
ATOM 2145 CG2 VAL C 78 24.592 24.662 72.325 1.00 18.57 C
ATOM 2146 N VAL C 79 25.053 28.269 70.786 1.00 11.64 N
ATOM 2147 CA VAL C 79 24.012 28.963 70.036 1.00 10.80 C
ATOM 2148 C VAL C 79 23.922 28.309 68.664 1.00 10.77 C
ATOM 2149 O VAL C 79 24.921 28.204 67.960 1.00 10.76 O
ATOM 2150 CB VAL C 79 24.325 30.474 69.860 1.00 11.89 C
ATOM 2151 CG1 VAL C 79 23.192 31.169 69.108 1.00 10.91 C
ATOM 2152 CG2 VAL C 79 24.523 31.132 71.214 1.00 13.27 C
ATOM 2153 N PHE C 80 22.746 27.791 68.325 1.00 10.14 N
ATOM 2154 CA PHE C 80 22.548 27.167 67.021 1.00 9.99 C
ATOM 2155 C PHE C 80 21.341 27.812 66.347 1.00 10.32 C
ATOM 2156 O PHE C 80 20.545 28.488 67.008 1.00 11.01 O
ATOM 2157 CB PHE C 80 22.350 25.651 67.161 1.00 8.65 C
ATOM 2158 CG PHE C 80 21.162 25.265 68.000 1.00 10.45 C
ATOM 2159 CD1 PHE C 80 19.886 25.207 67.445 1.00 8.55 C
ATOM 2160 CD2 PHE C 80 21.319 24.963 69.347 1.00 12.73 C
ATOM 2161 CE1 PHE C 80 18.782 24.853 68.220 1.00 13.58 C
ATOM 2162 CE2 PHE C 80 20.220 24.607 70.133 1.00 15.68 C
ATOM 2163 CZ PHE C 80 18.951 24.552 69.566 1.00 14.49 C
ATOM 2164 N ASN C 81 21.239 27.670 65.030 1.00 9.55 N
ATOM 2165 CA ASN C 81 20.100 28.234 64.325 1.00 9.38 C
ATOM 2166 C ASN C 81 19.116 27.151 63.906 1.00 10.17 C
ATOM 2167 O ASN C 81 19.326 25.961 64.163 1.00 10.47 O
ATOM 2168 CB ASN C 81 20.527 29.111 63.134 1.00 8.02 C
ATOM 2169 CG ASN C 81 21.107 28.313 61.968 1.00 10.62 C
ATOM 2170 OD1 ASN C 81 21.116 27.086 61.978 1.00 12.83 O
ATOM 2171 ND2 ASN C 81 21.573 29.022 60.946 1.00 9.57 N
ATOM 2172 N GLU C 82 18.036 27.599 63.283 1.00 10.58 N
ATOM 2173 CA GLU C 82 16.950 26.761 62.796 1.00 13.48 C
ATOM 2174 C GLU C 82 17.406 25.707 61.776 1.00 12.41 C
ATOM 2175 O GLU C 82 16.710 24.707 61.559 1.00 10.06 O
ATOM 2176 CB GLU C 82 15.928 27.686 62.144 1.00 18.40 C
ATOM 2177 CG GLU C 82 14.494 27.307 62.328 1.00 22.89 C
ATOM 2178 CD GLU C 82 13.569 28.326 61.707 1.00 17.89 C
ATOM 2179 OE1 GLU C 82 13.859 28.800 60.584 1.00 18.59 O
ATOM 2180 OE2 GLU C 82 12.564 28.672 62.357 1.00 31.88 O
ATOM 2181 N ASN C 83 18.550 25.957 61.135 1.00 12.21 N
ATOM 2182 CA ASN C 83 19.114 25.050 60.125 1.00 13.68 C
ATOM 2183 C ASN C 83 20.005 23.979 60.760 1.00 15.56 C
ATOM 2184 O ASN C 83 20.624 23.179 60.048 1.00 14.83 O
ATOM 2185 CB ASN C 83 19.968 25.818 59.103 1.00 12.72 C
ATOM 2186 CG ASN C 83 19.180 26.844 58.304 1.00 12.96 C
ATOM 2187 OD1 ASN C 83 17.886 26.609 58.122 1.00 8.48 O
ATOM 2188 ND2 ASN C 83 19.742 27.843 57.852 1.00 17.63 N
ATOM 2189 N ASN C 84 20.047 23.957 62.090 1.00 13.15 N
ATOM 2190 CA ASN C 84 20.883 23.021 62.838 1.00 14.42 C
ATOM 2191 C ASN C 84 22.360 23.297 62.531 1.00 12.59 C
ATOM 2192 O ASN C 84 23.156 22.383 62.324 1.00 11.84 O
ATOM 2193 CB ASN C 84 20.510 21.557 62.545 1.00 13.02 C
ATOM 2194 CG ASN C 84 21.130 20.572 63.543 1.00 16.43 C
ATOM 2195 OD1 ASN C 84 21.747 21.090 64.591 1.00 13.17 O
ATOM 2196 ND2 ASN C 84 21.042 19.360 63.365 1.00 23.43 N
ATOM 2197 N GLN C 85 22.693 24.581 62.432 1.00 11.79 N
ATOM 2198 CA GLN C 85 24.067 25.007 62.200 1.00 12.70 C
ATOM 2199 C GLN C 85 24.539 25.656 63.489 1.00 11.82 C
ATOM 2200 O GLN C 85 23.764 26.337 64.171 1.00 11.97 O
ATOM 2201 CB GLN C 85 24.153 26.054 61.083 1.00 15.69 C
ATOM 2202 CG GLN C 85 23.787 25.564 59.697 1.00 13.70 C
ATOM 2203 CD GLN C 85 23.835 26.681 58.679 1.00 16.97 C
ATOM 2204 OE1 GLN C 85 22.808 27.519 58.677 1.00 11.81 O
ATOM 2205 NE2 GLN C 85 24.795 26.802 57.914 1.00 20.29 N
ATOM 2206 N LEU C 86 25.798 25.428 63.832 1.00 9.95 N
ATOM 2207 CA LEU C 86 26.377 26.032 65.022 1.00 11.78 C
ATOM 2208 C LEU C 86 26.696 27.497 64.708 1.00 12.94 C
ATOM 2209 O LEU C 86 27.360 27.796 63.711 1.00 11.58 O
ATOM 2210 CB LEU C 86 27.664 25.299 65.426 1.00 11.73 C
ATOM 2211 CG LEU C 86 28.474 25.944 66.556 1.00 12.40 C
ATOM 2212 CD1 LEU C 86 27.692 25.868 67.854 1.00 12.13 C
ATOM 2213 CD2 LEU C 86 29.836 25.266 66.690 1.00 14.28 C
ATOM 2214 N ALA C 87 26.190 28.406 65.537 1.00 8.21 N
ATOM 2215 CA ALA C 87 26.448 29.830 65.356 1.00 10.41 C
ATOM 2216 C ALA C 87 27.667 30.208 66.192 1.00 13.88 C
ATOM 2217 O ALA C 87 28.550 30.937 65.733 1.00 13.81 O
ATOM 2218 CB ALA C 87 25.246 30.652 65.777 1.00 10.90 C
ATOM 2219 N GLY C 88 27.712 29.704 67.420 1.00 11.96 N
ATOM 2220 CA GLY C 88 28.838 29.989 68.288 1.00 10.97 C
ATOM 2221 C GLY C 88 28.681 29.420 69.683 1.00 11.68 C
ATOM 2222 O GLY C 88 27.668 28.799 70.016 1.00 9.59 O
ATOM 2223 N VAL C 89 29.730 29.583 70.478 1.00 9.31 N
ATOM 2224 CA VAL C 89 29.742 29.123 71.863 1.00 12.41 C
ATOM 2225 C VAL C 89 30.024 30.380 72.680 1.00 10.96 C
ATOM 2226 O VAL C 89 31.024 31.070 72.443 1.00 11.43 O
ATOM 2227 CB VAL C 89 30.841 28.069 72.107 1.00 12.49 C
ATOM 2228 CG1 VAL C 89 30.749 27.545 73.536 1.00 13.43 C
ATOM 2229 CG2 VAL C 89 30.702 26.922 71.101 1.00 12.99 C
ATOM 2230 N ILE C 90 29.108 30.705 73.589 1.00 8.32 N
ATOM 2231 CA ILE C 90 29.212 31.904 74.416 1.00 10.83 C
ATOM 2232 C ILE C 90 29.052 31.590 75.898 1.00 10.58 C
ATOM 2233 O ILE C 90 28.642 30.492 76.264 1.00 9.85 O
ATOM 2234 CB ILE C 90 28.152 32.953 73.994 1.00 11.65 C
ATOM 2235 CG1 ILE C 90 26.745 32.360 74.133 1.00 12.66 C
ATOM 2236 CG2 ILE C 90 28.403 33.394 72.552 1.00 11.11 C
ATOM 2237 CD1 ILE C 90 25.634 33.306 73.778 1.00 11.74 C
ATOM 2238 N THR C 91 29.349 32.567 76.748 1.00 12.60 N
ATOM 2239 CA THR C 91 29.255 32.361 78.196 1.00 12.59 C
ATOM 2240 C THR C 91 28.937 33.631 78.983 1.00 11.12 C
ATOM 2241 O THR C 91 29.250 34.740 78.551 1.00 12.10 O
ATOM 2242 CB THR C 91 30.577 31.750 78.749 1.00 11.66 C
ATOM 2243 OG1 THR C 91 30.449 31.495 80.156 1.00 14.37 O
ATOM 2244 CG2 THR C 91 31.753 32.697 78.520 1.00 11.51 C
ATOM 2245 N HIS C 92 28.283 33.456 80.127 1.00 10.45 N
ATOM 2246 CA HIS C 92 27.950 34.572 81.015 1.00 11.80 C
ATOM 2247 C HIS C 92 29.201 34.959 81.821 1.00 12.10 C
ATOM 2248 O HIS C 92 29.307 36.080 82.317 1.00 12.99 O
ATOM 2249 CB HIS C 92 26.856 34.163 82.006 1.00 9.97 C
ATOM 2250 CG HIS C 92 25.484 34.073 81.415 1.00 10.73 C
ATOM 2251 ND1 HIS C 92 24.804 35.175 80.942 1.00 11.52 N
ATOM 2252 CD2 HIS C 92 24.629 33.029 81.302 1.00 11.86 C
ATOM 2253 CE1 HIS C 92 23.587 34.814 80.572 1.00 12.02 C
ATOM 2254 NE2 HIS C 92 23.455 33.517 80.781 1.00 11.97 N
ATOM 2255 N THR C 93 30.132 34.013 81.952 1.00 12.90 N
ATOM 2256 CA THR C 93 31.375 34.210 82.703 1.00 15.45 C
ATOM 2257 C THR C 93 32.213 35.354 82.157 1.00 16.53 C
ATOM 2258 O THR C 93 32.585 35.349 80.987 1.00 15.78 O
ATOM 2259 CB THR C 93 32.241 32.932 82.695 1.00 15.91 C
ATOM 2260 OG1 THR C 93 31.486 31.836 83.224 1.00 15.09 O
ATOM 2261 CG2 THR C 93 33.504 33.126 83.530 1.00 14.78 C
ATOM 2262 N GLY C 94 32.496 36.331 83.016 1.00 17.46 N
ATOM 2263 CA GLY C 94 33.298 37.474 82.617 1.00 20.08 C
ATOM 2264 C GLY C 94 32.542 38.610 81.951 1.00 23.02 C
ATOM 2265 O GLY C 94 33.141 39.618 81.577 1.00 23.24 O
ATOM 2266 N ALA C 95 31.232 38.447 81.788 1.00 22.76 N
ATOM 2267 CA ALA C 95 30.399 39.471 81.160 1.00 21.34 C
ATOM 2268 C ALA C 95 29.726 40.314 82.227 1.00 22.58 C
ATOM 2269 O ALA C 95 29.217 39.786 83.216 1.00 25.41 O
ATOM 2270 CB ALA C 95 29.344 38.824 80.281 1.00 20.27 C
ATOM 2271 N SER C 96 29.720 41.627 82.034 1.00 19.46 N
ATOM 2272 CA SER C 96 29.084 42.513 83.001 1.00 19.78 C
ATOM 2273 C SER C 96 27.567 42.379 82.884 1.00 19.28 C
ATOM 2274 O SER C 96 27.040 42.160 81.791 1.00 17.16 O
ATOM 2275 CB SER C 96 29.518 43.965 82.777 1.00 22.65 C
ATOM 2276 OG SER C 96 29.173 44.405 81.478 1.00 32.00 O
ATOM 2277 N GLY C 97 26.882 42.448 84.024 1.00 17.33 N
ATOM 2278 CA GLY C 97 25.432 42.335 84.043 1.00 17.93 C
ATOM 2279 C GLY C 97 24.874 40.976 83.649 1.00 14.53 C
ATOM 2280 O GLY C 97 23.690 40.853 83.346 1.00 16.30 O
ATOM 2281 N ASN C 98 25.720 39.953 83.675 1.00 13.68 N
ATOM 2282 CA ASN C 98 25.320 38.599 83.309 1.00 13.44 C
ATOM 2283 C ASN C 98 24.898 38.525 81.835 1.00 14.84 C
ATOM 2284 O ASN C 98 23.972 37.799 81.472 1.00 11.18 O
ATOM 2285 CB ASN C 98 24.213 38.062 84.241 1.00 12.23 C
ATOM 2286 CG ASN C 98 24.052 36.538 84.160 1.00 12.55 C
ATOM 2287 OD1 ASN C 98 22.938 36.021 84.027 1.00 15.89 O
ATOM 2288 ND2 ASN C 98 25.162 35.820 84.253 1.00 13.02 N
ATOM 2289 N ASN C 99 25.548 39.326 80.996 1.00 13.56 N
ATOM 2290 CA ASN C 99 25.268 39.284 79.570 1.00 15.05 C
ATOM 2291 C ASN C 99 26.174 38.185 79.016 1.00 14.19 C
ATOM 2292 O ASN C 99 26.521 37.256 79.748 1.00 14.08 O
ATOM 2293 CB ASN C 99 25.537 40.644 78.919 1.00 13.24 C
ATOM 2294 CG ASN C 99 24.454 41.656 79.244 1.00 20.62 C
ATOM 2295 OD1 ASN C 99 23.278 41.423 78.974 1.00 21.24 O
ATOM 2296 ND2 ASN C 99 24.838 42.764 79.863 1.00 21.79 N
ATOM 2297 N PHE C 100 26.579 38.277 77.753 1.00 13.50 N
ATOM 2298 CA PHE C 100 27.436 37.240 77.184 1.00 12.01 C
ATOM 2299 C PHE C 100 28.704 37.767 76.538 1.00 11.51 C
ATOM 2300 O PHE C 100 28.759 38.895 76.063 1.00 11.21 O
ATOM 2301 CB PHE C 100 26.694 36.436 76.112 1.00 9.54 C
ATOM 2302 CG PHE C 100 25.576 35.580 76.629 1.00 10.11 C
ATOM 2303 CD1 PHE C 100 25.836 34.310 77.144 1.00 12.55 C
ATOM 2304 CD2 PHE C 100 24.257 36.006 76.527 1.00 9.55 C
ATOM 2305 CE1 PHE C 100 24.800 33.474 77.544 1.00 11.37 C
ATOM 2306 CE2 PHE C 100 23.205 35.175 76.926 1.00 10.41 C
ATOM 2307 CZ PHE C 100 23.482 33.906 77.433 1.00 10.00 C
ATOM 2308 N VAL C 101 29.723 36.917 76.541 1.00 14.35 N
ATOM 2309 CA VAL C 101 31.007 37.182 75.898 1.00 15.94 C
ATOM 2310 C VAL C 101 31.269 35.890 75.137 1.00 16.06 C
ATOM 2311 O VAL C 101 30.714 34.844 75.478 1.00 15.83 O
ATOM 2312 CB VAL C 101 32.171 37.461 76.896 1.00 15.60 C
ATOM 2313 CG1 VAL C 101 31.997 38.828 77.546 1.00 17.02 C
ATOM 2314 CG2 VAL C 101 32.267 36.365 77.953 1.00 16.46 C
ATOM 2315 N GLU C 102 32.059 35.961 74.076 1.00 14.79 N
ATOM 2316 CA GLU C 102 32.342 34.766 73.297 1.00 16.88 C
ATOM 2317 C GLU C 102 33.374 33.867 73.969 1.00 15.80 C
ATOM 2318 O GLU C 102 34.204 34.329 74.750 1.00 16.07 O
ATOM 2319 CB GLU C 102 32.812 35.153 71.886 1.00 16.60 C
ATOM 2320 N CYS C 103 33.268 32.567 73.719 1.00 16.05 N
ATOM 2321 CA CYS C 103 34.236 31.618 74.241 1.00 17.56 C
ATOM 2322 C CYS C 103 35.283 31.538 73.138 1.00 22.59 C
ATOM 2323 O CYS C 103 34.940 31.423 71.959 1.00 26.43 O
ATOM 2324 CB CYS C 103 33.589 30.263 74.473 1.00 14.46 C
ATOM 2325 SG CYS C 103 32.236 30.366 75.637 1.00 14.46 S
ATOM 2326 N THR C 104 36.551 31.621 73.517 1.00 23.45 N
ATOM 2327 CA THR C 104 37.640 31.606 72.547 1.00 28.80 C
ATOM 2328 C THR C 104 38.300 30.254 72.267 1.00 29.71 C
ATOM 2329 O THR C 104 37.973 29.262 72.947 1.00 29.48 O
ATOM 2330 CB THR C 104 38.705 32.638 72.946 1.00 31.01 C
ATOM 2331 OG1 THR C 104 39.090 32.422 74.311 1.00 31.72 O
ATOM 2332 CG2 THR C 104 38.145 34.050 72.802 1.00 33.59 C
ATOM 2333 OXT THR C 104 39.140 30.203 71.346 1.00 31.49 O
HETATM 3161 CA CA C 250 30.591 12.776 85.444 1.00 11.60 CA
HETATM 3162 P 2GP C 254 15.098 40.228 77.582 1.00 34.66 P
HETATM 3163 O1P 2GP C 254 14.126 40.006 78.687 1.00 36.56 O
HETATM 3164 O2P 2GP C 254 16.064 41.330 77.839 1.00 31.39 O
HETATM 3165 O3P 2GP C 254 14.501 40.149 76.216 1.00 30.03 O
HETATM 3166 O5' 2GP C 254 13.969 34.774 76.700 1.00 30.25 O
HETATM 3167 C5' 2GP C 254 14.522 34.487 77.976 1.00 24.35 C
HETATM 3168 C4' 2GP C 254 15.582 35.527 78.368 1.00 21.58 C
HETATM 3169 O4' 2GP C 254 16.665 35.530 77.406 1.00 17.10 O
HETATM 3170 C3' 2GP C 254 14.989 36.929 78.430 1.00 20.15 C
HETATM 3171 O3' 2GP C 254 15.334 37.551 79.677 1.00 19.54 O
HETATM 3172 C2' 2GP C 254 15.745 37.627 77.317 1.00 20.00 C
HETATM 3173 O2' 2GP C 254 16.095 38.958 77.638 1.00 23.73 O
HETATM 3174 C1' 2GP C 254 17.043 36.883 77.243 1.00 15.66 C
HETATM 3175 N9 2GP C 254 17.693 37.079 75.933 1.00 14.59 N
HETATM 3176 C8 2GP C 254 17.213 36.804 74.671 1.00 11.85 C
HETATM 3177 N7 2GP C 254 18.075 37.075 73.728 1.00 14.42 N
HETATM 3178 C5 2GP C 254 19.176 37.558 74.410 1.00 10.39 C
HETATM 3179 C6 2GP C 254 20.414 38.019 73.922 1.00 13.03 C
HETATM 3180 O6 2GP C 254 20.702 38.145 72.740 1.00 11.24 O
HETATM 3181 N1 2GP C 254 21.291 38.409 74.939 1.00 11.61 N
HETATM 3182 C2 2GP C 254 20.992 38.366 76.287 1.00 12.78 C
HETATM 3183 N2 2GP C 254 21.966 38.750 77.122 1.00 9.66 N
HETATM 3184 N3 2GP C 254 19.809 37.945 76.749 1.00 8.61 N
HETATM 3185 C4 2GP C 254 18.957 37.559 75.762 1.00 11.80 C
HETATM 3186 P 2GP C 255 19.992 32.887 79.594 1.00 10.24 P
HETATM 3187 O1P 2GP C 255 20.182 33.880 78.500 1.00 11.04 O
HETATM 3188 O2P 2GP C 255 21.238 32.291 80.117 1.00 10.12 O
HETATM 3189 O3P 2GP C 255 18.926 31.907 79.377 1.00 11.11 O
HETATM 3190 O5' 2GP C 255 17.804 35.146 85.647 1.00 13.09 O
HETATM 3191 C5' 2GP C 255 18.120 36.008 84.540 1.00 10.61 C
HETATM 3192 C4' 2GP C 255 18.889 35.271 83.419 1.00 8.88 C
HETATM 3193 O4' 2GP C 255 20.009 34.518 83.914 1.00 11.17 O
HETATM 3194 C3' 2GP C 255 18.059 34.186 82.836 1.00 14.61 C
HETATM 3195 O3' 2GP C 255 17.075 34.744 81.980 1.00 13.13 O
HETATM 3196 C2' 2GP C 255 19.056 33.318 82.077 1.00 13.51 C
HETATM 3197 O2' 2GP C 255 19.425 33.868 80.794 1.00 13.33 O
HETATM 3198 C1' 2GP C 255 20.282 33.453 82.999 1.00 12.75 C
HETATM 3199 N9 2GP C 255 20.574 32.233 83.794 1.00 12.29 N
HETATM 3200 C8 2GP C 255 19.763 31.190 84.198 1.00 11.94 C
HETATM 3201 N7 2GP C 255 20.377 30.292 84.914 1.00 13.94 N
HETATM 3202 C5 2GP C 255 21.689 30.756 85.003 1.00 12.11 C
HETATM 3203 C6 2GP C 255 22.830 30.229 85.686 1.00 13.01 C
HETATM 3204 O6 2GP C 255 22.866 29.216 86.374 1.00 12.06 O
HETATM 3205 N1 2GP C 255 23.968 31.025 85.547 1.00 10.61 N
HETATM 3206 C2 2GP C 255 24.006 32.205 84.830 1.00 10.72 C
HETATM 3207 N2 2GP C 255 25.162 32.858 84.799 1.00 12.29 N
HETATM 3208 N3 2GP C 255 22.938 32.710 84.189 1.00 10.05 N
HETATM 3209 C4 2GP C 255 21.818 31.940 84.316 1.00 12.13 C
TER 3209 2GP C 255
END

1
src/test/resources/data/csv_feature/dataset.ds Normal file
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1bviC.pdb

105
src/test/resources/data/csv_feature/pdbekb_conservation/1bviC.pdb.csv Normal file
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"chain","ins. code","seq. code","pdbekb_conservation"
"C","","1","0"
"C","","2","0"
"C","","3","0"
"C","","4","0"
"C","","5","0"
"C","","6","1"
"C","","7","0"
"C","","8","0"
"C","","9","0"
"C","","10","0"
"C","","11","2"
"C","","12","0"
"C","","13","0"
"C","","14","0"
"C","","15","0"
"C","","16","1"
"C","","17","0"
"C","","18","0"
"C","","19","1"
"C","","20","0"
"C","","21","0"
"C","","22","0"
"C","","23","0"
"C","","24","0"
"C","","25","0"
"C","","26","0"
"C","","27","0"
"C","","28","0"
"C","","29","0"
"C","","30","0"
"C","","31","0"
"C","","32","0"
"C","","33","0"
"C","","34","0"
"C","","35","0"
"C","","36","0"
"C","","37","0"
"C","","38","4"
"C","","39","2"
"C","","40","1"
"C","","41","0"
"C","","42","2"
"C","","43","0"
"C","","44","1"
"C","","45","0"
"C","","46","0"
"C","","47","0"
"C","","48","0"
"C","","49","0"
"C","","50","1"
"C","","51","0"
"C","","52","0"
"C","","53","0"
"C","","54","0"
"C","","55","0"
"C","","56","0"
"C","","57","0"
"C","","58","1"
"C","","59","4"
"C","","60","3"
"C","","61","2"
"C","","62","0"
"C","","63","0"
"C","","64","0"
"C","","65","0"
"C","","66","0"
"C","","67","0"
"C","","68","1"
"C","","69","0"
"C","","70","0"
"C","","71","0"
"C","","72","0"
"C","","73","0"
"C","","74","1"
"C","","75","0"
"C","","76","0"
"C","","77","3"
"C","","78","2"
"C","","79","2"
"C","","80","0"
"C","","81","0"
"C","","82","0"
"C","","83","0"
"C","","84","0"
"C","","85","0"
"C","","86","0"
"C","","87","0"
"C","","88","1"
"C","","89","0"
"C","","90","2"
"C","","91","0"
"C","","92","1"
"C","","93","0"
"C","","94","0"
"C","","95","0"
"C","","96","0"
"C","","97","0"
"C","","98","0"
"C","","99","0"
"C","","100","4"
"C","","101","0"
"C","","102","0"
"C","","103","4"
"C","","104","0"
1 chain ins. code seq. code pdbekb_conservation
2 C 1 0
3 C 2 0
4 C 3 0
5 C 4 0
6 C 5 0
7 C 6 1
8 C 7 0
9 C 8 0
10 C 9 0
11 C 10 0
12 C 11 2
13 C 12 0
14 C 13 0
15 C 14 0
16 C 15 0
17 C 16 1
18 C 17 0
19 C 18 0
20 C 19 1
21 C 20 0
22 C 21 0
23 C 22 0
24 C 23 0
25 C 24 0
26 C 25 0
27 C 26 0
28 C 27 0
29 C 28 0
30 C 29 0
31 C 30 0
32 C 31 0
33 C 32 0
34 C 33 0
35 C 34 0
36 C 35 0
37 C 36 0
38 C 37 0
39 C 38 4
40 C 39 2
41 C 40 1
42 C 41 0
43 C 42 2
44 C 43 0
45 C 44 1
46 C 45 0
47 C 46 0
48 C 47 0
49 C 48 0
50 C 49 0
51 C 50 1
52 C 51 0
53 C 52 0
54 C 53 0
55 C 54 0
56 C 55 0
57 C 56 0
58 C 57 0
59 C 58 1
60 C 59 4
61 C 60 3
62 C 61 2
63 C 62 0
64 C 63 0
65 C 64 0
66 C 65 0
67 C 66 0
68 C 67 0
69 C 68 1
70 C 69 0
71 C 70 0
72 C 71 0
73 C 72 0
74 C 73 0
75 C 74 1
76 C 75 0
77 C 76 0
78 C 77 3
79 C 78 2
80 C 79 2
81 C 80 0
82 C 81 0
83 C 82 0
84 C 83 0
85 C 84 0
86 C 85 0
87 C 86 0
88 C 87 0
89 C 88 1
90 C 89 0
91 C 90 2
92 C 91 0
93 C 92 1
94 C 93 0
95 C 94 0
96 C 95 0
97 C 96 0
98 C 97 0
99 C 98 0
100 C 99 0
101 C 100 4
102 C 101 0
103 C 102 0
104 C 103 4
105 C 104 0