USER MOD reduce.3.24.130724 H: found=0, std=0, add=1997, rem=0, adj=76 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 29-SEP-05 2C2K TITLE CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE MICHAEL TITLE 2 ACCEPTOR INHIBITORS. COMPND MOL_ID: 1; COMPND 2 MOLECULE: CASPASE-3 SUBUNIT P17; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ALPHA SUBUNIT, RESIDUES 29-175; COMPND 5 EC: 3.4.22.-; COMPND 6 ENGINEERED: YES; COMPND 7 MOL_ID: 2; COMPND 8 MOLECULE: CASPASE-3 SUBUNIT P12; COMPND 9 CHAIN: B; COMPND 0 FRAGMENT: BETA SUBUNIT, RESIDUES 176-277; COMPND 1 EC: 3.4.22.-; COMPND 2 ENGINEERED: YES; COMPND 3 MOL_ID: 3; COMPND 4 MOLECULE: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5- COMPND 5 (CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)- COMPND 6 3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN COMPND 7 -16-OIC ACID; COMPND 8 CHAIN: C; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_VECTOR: PET11D; SOURCE 0 MOL_ID: 2; SOURCE 1 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 2 ORGANISM_COMMON: HUMAN; SOURCE 3 ORGANISM_TAXID: 9606; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 MOL_ID: 3; SOURCE 7 SYNTHETIC: YES KEYWDS APOPTOSIS, HYDROLASE-HYDROLASE INHIBITOR COMPLEX, CYSTEINE-PROTEASE, KEYWDS 2 ICE, TETRAMER, THIOL PROTEASE, ZYMOGEN, CPP32, YAMA, AZA-PEPTIDE, KEYWDS 3 MICHAEL ACCEPTOR, AZA-ASP, CLAN CD EXPDTA X-RAY DIFFRACTION AUTHOR R.GANESAN,S.JELAKOVIC,O.D.EKICI,Z.Z.LI,K.E.JAMES,J.L.ASGIAN, AUTHOR 2 A.J.CAMPBELL,J.MIKOLAJCZYK,G.S.SALVESEN,J.C.POWERS,M.G.GRUETTER REVDAT 4 20-JUL-11 2C2K 1 COMPND SOURCE REVDAT REMARK REVDAT 3 13-JUL-11 2C2K 1 VERSN REVDAT 2 24-FEB-09 2C2K 1 VERSN REVDAT 1 20-SEP-06 2C2K 0 JRNL AUTH O.D.EKICI,Z.Z.LI,A.J.CAMPBELL,K.E.JAMES,J.L.ASGIAN, JRNL AUTH 2 J.MIKOLAJCZYK,G.S.SALVESEN,R.GANESAN,S.JELAKOVIC, JRNL AUTH 3 M.G.GRUTTER,J.C.POWERS JRNL TITL DESIGN, SYNTHESIS, AND EVALUATION OF AZA-PEPTIDE MICHAEL JRNL TITL 2 ACCEPTORS AS SELECTIVE AND POTENT INHIBITORS OF CASPASES-2, JRNL TITL 3 -3, -6, -7, -8, -9, AND - 10. JRNL REF J.MED.CHEM. V. 49 5728 2006 JRNL REFN ISSN 0022-2623 JRNL PMID 16970398 JRNL DOI 10.1021/JM0601405 REMARK 2 REMARK 2 RESOLUTION. 1.87 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.87 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.80 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1852929.470 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.6 REMARK 3 NUMBER OF REFLECTIONS : 22827 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.220 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.900 REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.76 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.87 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 0 REMARK 3 BIN R VALUE (WORKING SET) : 0.2200 REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2045 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 367 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 13.10 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 4.19000 REMARK 3 B22 (A**2) : -1.53000 REMARK 3 B33 (A**2) : -2.66000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.20 REMARK 3 ESD FROM SIGMAA (A) : 0.21 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.23 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.21 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.64 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.190 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.700 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.190 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.130 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.35 REMARK 3 BSOL : 68.37 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: MISSING RESIDUE CHAIN A, ASP 175 REMARK 3 CLONING ARTIFACT ADDITIONAL AMINO ACID CHAIN B, ALA 175 REMARK 4 REMARK 4 2C2K COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-SEP-05. REMARK 100 THE PDBE ID CODE IS EBI-25736. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-DEC-04 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 4.75 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NONIUS FR591 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22830 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.860 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.8 REMARK 200 DATA REDUNDANCY : 5.000 REMARK 200 R MERGE (I) : 0.08000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 17.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.86 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.95 REMARK 200 COMPLETENESS FOR SHELL (%) : 84.1 REMARK 200 DATA REDUNDANCY IN SHELL : 4.70 REMARK 200 R MERGE FOR SHELL (I) : 0.44000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 4.500 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: OTHER REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.32 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG6000, 100 MM SODIUM CITRATE PH 4.75 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 2 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X,Y,-Z REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z+1/2 REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 33.73550 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 41.89050 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 48.12550 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 33.73550 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 41.89050 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 48.12550 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 33.73550 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 41.89050 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 48.12550 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 33.73550 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 41.89050 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 48.12550 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: HEXAMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, C, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 67.47100 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 96.25100 REMARK 400 REMARK 400 COMPOUND REMARK 400 THE INITIAL LIGAND USED IN THE EXPERIMENT WAS CIS CBZ-DEVAD-CH=CH- REMARK 400 CO2ET, INDICATED AS 18G IN THE PRIMARY PUBLICATION. UPON REACTION, REMARK 400 THE DOUBLE BOND OPENED UP AND FORMED A COVALENT BOND BETWEEN ATOM REMARK 400 C11 OF RESIDUE AA1 5 OF CHAIN C AND ATOM SG OF CYS 163 OF CHAIN A. REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ASP A 175 CA C O CB CG OD1 OD2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 64 78.42 -103.03 REMARK 500 SER A 120 -177.07 -174.98 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A2033 DISTANCE = 5.88 ANGSTROMS REMARK 525 HOH A2039 DISTANCE = 5.34 ANGSTROMS REMARK 525 HOH A2045 DISTANCE = 5.11 ANGSTROMS REMARK 525 HOH A2077 DISTANCE = 6.19 ANGSTROMS REMARK 525 HOH A2099 DISTANCE = 5.65 ANGSTROMS REMARK 525 HOH B2003 DISTANCE = 5.73 ANGSTROMS REMARK 525 HOH B2004 DISTANCE = 5.11 ANGSTROMS REMARK 525 HOH B2005 DISTANCE = 5.20 ANGSTROMS REMARK 525 HOH B2006 DISTANCE = 5.76 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN C OF 12-TETRAOXO-1- REMARK 800 PHENYL- (5S,8R,11S)-8-(2-CARBOXYETHYL)-5- (CARBOXYMETHYL)-14-(4- REMARK 800 ETHOXY-4-OXOBUTANOYL)-11 ETHOXY-4-OXOBUTANOYL)-11 12-TETRAOXO-1- REMARK 800 PHENYL- ACID REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CP3 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE REMARK 900 TETRAPEPTIDE INHIBITOR ACE-DVAD- FMC REMARK 900 RELATED ID: 1GFW RELATED DB: PDB REMARK 900 THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN REMARK 900 ORCPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR. REMARK 900 RELATED ID: 1I3O RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP- BIR2 AND CASPASE 3 REMARK 900 RELATED ID: 1NME RELATED DB: PDB REMARK 900 STRUCTURE OF CASP-3 WITH TETHERED SALICYLATE REMARK 900 RELATED ID: 1NMQ RELATED DB: PDB REMARK 900 EXTENDEND TETHERING: IN SITU ASSEMBLY OF INHIBITORS REMARK 900 RELATED ID: 1NMS RELATED DB: PDB REMARK 900 CASPASE-3 TETHERED TO IRREVERSIBLE INHIBITOR REMARK 900 RELATED ID: 1PAU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE REMARK 900 TETRAPEPTIDE ALDEHYDE INHIBITOR AC -DEVD-CHO REMARK 900 RELATED ID: 1QX3 RELATED DB: PDB REMARK 900 CONFORMATIONAL RESTRICTIONS IN THE ACTIVE SITE OFUNLIGANDED REMARK 900 HUMAN CASPASE-3 REMARK 900 RELATED ID: 1RE1 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF CASPASE-3 WITH A NICOTINIC REMARK 900 ACIDALDEHYDE INHIBITOR REMARK 900 RELATED ID: 1RHJ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH REMARK 900 APRYAZINONE INHIBITOR REMARK 900 RELATED ID: 1RHK RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH A REMARK 900 PHENYL-PROPYL-KETONE INHIBITOR REMARK 900 RELATED ID: 1RHM RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH REMARK 900 ANICOTINIC ACID ALDEHYDE INHIBITOR REMARK 900 RELATED ID: 1RHQ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH REMARK 900 ABROMOMETHOXYPHENYL INHIBITOR REMARK 900 RELATED ID: 1RHR RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH REMARK 900 ACINNAMIC ACID METHYL ESTER INHIBITOR REMARK 900 RELATED ID: 1RHU RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE -3 WITH A 5,6, REMARK 900 7TRICYCLIC PEPTIDOMIMETIC INHIBITOR REMARK 900 RELATED ID: 2C1E RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 MICHAEL ACCEPTOR INHIBITORS. REMARK 900 RELATED ID: 2C2M RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 MICHAEL ACCEPTOR INHIBITORS. REMARK 900 RELATED ID: 2C2O RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 MICHAEL ACCEPTOR INHIBITORS. REMARK 900 RELATED ID: 2CDR RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2CJX RELATED DB: PDB REMARK 900 EXTENDED SUBSTRATE RECOGNITION IN CASPASE-3 REVEALED BY REMARK 900 HIGH RESOLUTION X-RAY STRUCTURE ANALYSIS REMARK 900 RELATED ID: 2CJY RELATED DB: PDB REMARK 900 EXTENDED SUBSTRATE RECOGNITION IN CASPASE-3 REVEALED BY REMARK 900 HIGH RESOLUTION X-RAY STRUCTURE ANALYSIS REMARK 900 RELATED ID: 2CNK RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2CNL RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2CNN RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2CNO RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURES OF CASPASE-3 IN COMPLEX WITH AZA-PEPTIDE REMARK 900 EPOXIDE INHIBITORS. REMARK 900 RELATED ID: 2J30 RELATED DB: PDB REMARK 900 THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION REMARK 900 AND ACTIVITY OF (PRO) CASPASE-3 REMARK 900 RELATED ID: 2J31 RELATED DB: PDB REMARK 900 THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION REMARK 900 AND ACTIVITY OF(PRO)CASPASE -3 REMARK 900 RELATED ID: 2J32 RELATED DB: PDB REMARK 900 THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION REMARK 900 AND ACTIVITY OF(PRO)CASPASE -3 REMARK 900 RELATED ID: 2J33 RELATED DB: PDB REMARK 900 THE ROLE OF LOOP BUNDLE HYDROGEN BONDS IN THE MATURATION REMARK 900 AND ACTIVITY OF (PRO) CASPASE-3 DBREF 2C2K A 29 175 UNP P42574 CASP3_HUMAN 29 175 DBREF 2C2K B 175 175 PDB 2C2K 2C2K 175 175 DBREF 2C2K B 176 277 UNP P42574 CASP3_HUMAN 176 277 DBREF 2C2K C 1 5 PDB 2C2K 2C2K 1 5 SEQRES 1 A 147 SER GLY ILE SER LEU ASP ASN SER TYR LYS MET ASP TYR SEQRES 2 A 147 PRO GLU MET GLY LEU CYS ILE ILE ILE ASN ASN LYS ASN SEQRES 3 A 147 PHE HIS LYS SER THR GLY MET THR SER ARG SER GLY THR SEQRES 4 A 147 ASP VAL ASP ALA ALA ASN LEU ARG GLU THR PHE ARG ASN SEQRES 5 A 147 LEU LYS TYR GLU VAL ARG ASN LYS ASN ASP LEU THR ARG SEQRES 6 A 147 GLU GLU ILE VAL GLU LEU MET ARG ASP VAL SER LYS GLU SEQRES 7 A 147 ASP HIS SER LYS ARG SER SER PHE VAL CYS VAL LEU LEU SEQRES 8 A 147 SER HIS GLY GLU GLU GLY ILE ILE PHE GLY THR ASN GLY SEQRES 9 A 147 PRO VAL ASP LEU LYS LYS ILE THR ASN PHE PHE ARG GLY SEQRES 10 A 147 ASP ARG CYS ARG SER LEU THR GLY LYS PRO LYS LEU PHE SEQRES 11 A 147 ILE ILE GLN ALA CYS ARG GLY THR GLU LEU ASP CYS GLY SEQRES 12 A 147 ILE GLU THR ASP SEQRES 1 B 103 ALA SER GLY VAL ASP ASP ASP MET ALA CYS HIS LYS ILE SEQRES 2 B 103 PRO VAL GLU ALA ASP PHE LEU TYR ALA TYR SER THR ALA SEQRES 3 B 103 PRO GLY TYR TYR SER TRP ARG ASN SER LYS ASP GLY SER SEQRES 4 B 103 TRP PHE ILE GLN SER LEU CYS ALA MET LEU LYS GLN TYR SEQRES 5 B 103 ALA ASP LYS LEU GLU PHE MET HIS ILE LEU THR ARG VAL SEQRES 6 B 103 ASN ARG LYS VAL ALA THR GLU PHE GLU SER PHE SER PHE SEQRES 7 B 103 ASP ALA THR PHE HIS ALA LYS LYS GLN ILE PRO CYS ILE SEQRES 8 B 103 VAL SER MET LEU THR LYS GLU LEU TYR PHE TYR HIS SEQRES 1 C 5 PHQ ASP GLU VAL AA1 HET PHQ C 1 10 HET AA1 C 5 15 HETNAM PHQ BENZYL CHLOROCARBONATE HETNAM AA1 [1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID FORMUL 3 PHQ C8 H7 CL O2 FORMUL 3 AA1 C8 H14 N2 O5 FORMUL 4 HOH *367(H2 O) HELIX 1 1 HIS A 56 GLY A 60 5 5 HELIX 2 2 GLY A 66 ASN A 80 1 15 HELIX 3 3 THR A 92 LYS A 105 1 14 HELIX 4 4 LEU A 136 PHE A 142 1 7 HELIX 5 5 CYS A 148 THR A 152 5 5 HELIX 6 6 TRP B 214 ALA B 227 1 14 HELIX 7 7 GLU B 231 PHE B 247 1 17 HELIX 8 8 ASP B 253 HIS B 257 5 5 SHEET 1 AA 6 GLU A 84 ASN A 89 0 SHEET 2 AA 6 GLU A 43 ASN A 51 1 O GLY A 45 N GLU A 84 SHEET 3 AA 6 ARG A 111 LEU A 119 1 N SER A 112 O GLU A 43 SHEET 4 AA 6 LYS A 156 GLN A 161 1 O LEU A 157 N CYS A 116 SHEET 5 AA 6 PHE B 193 TYR B 197 1 O LEU B 194 N PHE A 158 SHEET 6 AA 6 CYS B 264 SER B 267 -1 O CYS B 264 N TYR B 197 SHEET 1 AB 3 GLY A 122 GLU A 123 0 SHEET 2 AB 3 ILE A 126 GLY A 129 -1 O ILE A 126 N GLU A 123 SHEET 3 AB 3 GLY A 132 ASP A 135 -1 O GLY A 132 N GLY A 129 SHEET 1 BA 2 ARG B 207 ASN B 208 0 SHEET 2 BA 2 GLY B 212 SER B 213 -1 O GLY B 212 N ASN B 208 LINK C1 PHQ C 1 N ASP C 2 1555 1555 1.33 LINK C VAL C 4 N3 AA1 C 5 1555 1555 1.32 LINK SG CYS A 163 C11 AA1 C 5 1555 1555 1.85 SITE *** AC1 24 MET A 61 ARG A 64 SER A 65 GLU A 84 SITE *** AC1 24 HIS A 121 GLY A 122 GLN A 161 ALA A 162 SITE *** AC1 24 CYS A 163 HOH A2061 ASP B 179 TYR B 204 SITE *** AC1 24 SER B 205 TRP B 206 ARG B 207 ASN B 208 SITE *** AC1 24 SER B 209 SER B 249 PHE B 250 PHE B 252 SITE *** AC1 24 HOH C2238 HOH C2239 HOH C2240 HOH C2242 CRYST1 67.471 83.781 96.251 90.00 90.00 90.00 I 2 2 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.014821 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011936 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010390 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: C 5 AA1H3N2 : C 5 AA1 N3 : C 4 VAL C :(H bumps) USER MOD NoAdj-H: C 5 AA1H3N1 : C 5 AA1 N3 : C 4 VAL C :(H bumps) USER MOD NoAdj-H: C 5 AA1H112 : C 5 AA1 C11 : A 163 CYS SG :(H bumps) USER MOD NoAdj-H: C 5 AA1 H10 : C 5 AA1 O10 : C 5 AA1 C8 :(short bond) USER MOD Set 1.1: B 222 MET CE :methyl -123:sc= -0.115 (180deg=-0.975) USER MOD Set 1.2: B 225 GLN : amide:sc= 1.83 K(o=2.4,f=-0.75) USER MOD Set 1.3: B 226 TYR OH : rot 30:sc= 0.665 USER MOD Set 2.1: A 77 THR OG1 : rot 87:sc= 1.29 USER MOD Set 2.2: B 220 CYS SG : rot 140:sc= -0.0111 USER MOD Set 2.3: B 224 LYS NZ :NH3+ -127:sc= 0.564 (180deg=-0.142) USER MOD Set 3.1: A 161 GLN : amide:sc= 1.04 K(o=4.5,f=3.6) USER MOD Set 3.2: B 198 SER OG : rot 130:sc= 2.28 USER MOD Set 3.3: B 205 SER OG : rot 7:sc= 1.2 USER MOD Set 4.1: A 56 HIS : no HE2:sc= 0.878 K(o=2,f=-0.11) USER MOD Set 4.2: A 130 THR OG1 : rot 158:sc= 1.08 USER MOD Set 5.1: A 39 MET CE :methyl -174:sc= -0.0777 (180deg=-0.124) USER MOD Set 5.2: A 44 MET CE :methyl -169:sc= -0.0345 (180deg=-0.126) USER MOD Set 5.3: A 83 TYR OH : rot -159:sc= 0.741 USER MOD Set 5.4: A 113 SER OG : rot -24:sc= 0.865 USER MOD Set 6.1: A 51 ASN : amide:sc= 1.67 K(o=5.2,f=-2.6!) USER MOD Set 6.2: A 67 THR OG1 : rot -80:sc= 2.76 USER MOD Set 6.3: A 87 ASN : amide:sc= 0.558 K(o=5.2,f=3.4) USER MOD Set 6.4: A 89 ASN : amide:sc= 0.183 K(o=5.2,f=-1.2!) USER MOD Set 7.1: A 59 THR OG1 : rot -50:sc= 1.41 USER MOD Set 7.2: A 61 MET CE :methyl 164:sc=-0.00236 (180deg=-0.37) USER MOD Set 8.1: A 37 TYR OH : rot -15:sc= 1.78 USER MOD Set 8.2: B 270 THR OG1 : rot -87:sc= 1.96 USER MOD Single : A 29 SER OG : rot -50:sc= 0.415 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.39) USER MOD Single : A 36 SER OG : rot -39:sc= 0.408 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 1.36 (180deg=1.36) USER MOD Single : A 41 TYR OH : rot -2:sc= 2.24 USER MOD Single : A 47 CYS SG : rot 151:sc= 0.269 USER MOD Single : A 52 ASN : amide:sc= 0.59 K(o=0.59,f=-6!) USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= 0.638 (180deg=0.399) USER MOD Single : A 54 ASN : amide:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -128:sc= 0.0114 USER MOD Single : A 62 THR OG1 : rot -108:sc= 0.147 USER MOD Single : A 63 SER OG : rot -71:sc= 0.258 USER MOD Single : A 65 SER OG : rot -61:sc= -0.316 USER MOD Single : A 73 ASN : amide:sc= 1.18 K(o=1.2,f=-0.17) USER MOD Single : A 80 ASN :FLIP amide:sc= 0.905 F(o=-0.9!,f=0.9) USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= 0.578 (180deg=0.575) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -164:sc= 0.505 USER MOD Single : A 100 MET CE :methyl -118:sc= -0.189 (180deg=-3.48!) USER MOD Single : A 104 SER OG : rot -37:sc= 1.78 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 1.87 K(o=1.9,f=-4.3!) USER MOD Single : A 109 SER OG : rot 93:sc= 2.16 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 68:sc= -0.103 USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -174:sc= 0.855 USER MOD Single : A 121 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.1!) USER MOD Single : A 131 ASN : amide:sc= 0.17 K(o=0.17,f=-12!) USER MOD Single : A 137 LYS NZ :NH3+ -167:sc= 1.34 (180deg=0.817) USER MOD Single : A 138 LYS NZ :NH3+ -141:sc= 0.26 (180deg=-1.39) USER MOD Single : A 140 THR OG1 : rot -72:sc= 0.423 USER MOD Single : A 141 ASN : amide:sc= 2.17 K(o=2.2,f=-0.86!) USER MOD Single : A 148 CYS SG : rot 82:sc= -0.135 USER MOD Single : A 150 SER OG : rot -79:sc= 1.56 USER MOD Single : A 152 THR OG1 : rot -91:sc= -0.642 USER MOD Single : A 154 LYS NZ :NH3+ -177:sc= 1.14 (180deg=1.13) USER MOD Single : A 156 LYS NZ :NH3+ -164:sc= 1.26 (180deg=0.995) USER MOD Single : A 166 THR OG1 : rot 85:sc= 2 USER MOD Single : A 170 CYS SG : rot 61:sc= 1.14 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 176 SER OG : rot -83:sc= 1.25 USER MOD Single : B 182 MET CE :methyl -138:sc= -0.148 (180deg=-0.8) USER MOD Single : B 184 CYS SG : rot 87:sc= 0.142 USER MOD Single : B 185 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 TYR OH : rot 150:sc= 0 USER MOD Single : B 197 TYR OH : rot -34:sc= 2.54 USER MOD Single : B 199 THR OG1 : rot 174:sc= 1.3 USER MOD Single : B 203 TYR OH : rot 30:sc= 1.07 USER MOD Single : B 204 TYR OH : rot 17:sc= 2.05 USER MOD Single : B 208 ASN : amide:sc= 2.39 K(o=2.4,f=-5.9!) USER MOD Single : B 209 SER OG : rot -69:sc= 0.425 USER MOD Single : B 210 LYS NZ :NH3+ -154:sc= 0.423 (180deg=0.229) USER MOD Single : B 213 SER OG : rot -86:sc= 0.918 USER MOD Single : B 217 GLN : amide:sc= 1.37 K(o=1.4,f=0.66) USER MOD Single : B 218 SER OG : rot 88:sc= 0.716 USER MOD Single : B 229 LYS NZ :NH3+ 177:sc= 1.94 (180deg=1.91) USER MOD Single : B 233 MET CE :methyl -178:sc= 0 (180deg=-0.00396) USER MOD Single : B 234 HIS : no HD1:sc= 0.327 K(o=0.33,f=-0.4) USER MOD Single : B 237 THR OG1 : rot 71:sc= 1.75 USER MOD Single : B 240 ASN : amide:sc= -1.92! C(o=-1.9!,f=-6.3!) USER MOD Single : B 242 LYS NZ :NH3+ 177:sc= 1 (180deg=0.992) USER MOD Single : B 245 THR OG1 : rot -73:sc= 0.914 USER MOD Single : B 249 SER OG : rot 135:sc= 1.79 USER MOD Single : B 251 SER OG : rot 102:sc= 1.05 USER MOD Single : B 255 THR OG1 : rot 104:sc= 0.654 USER MOD Single : B 257 HIS : no HD1:sc= 1.59 K(o=1.6,f=-6.8!) USER MOD Single : B 259 LYS NZ :NH3+ -179:sc= 2.7 (180deg=2.7) USER MOD Single : B 260 LYS NZ :NH3+ 179:sc= 2.13 (180deg=2.12) USER MOD Single : B 261 GLN : amide:sc= 1.53 K(o=1.5,f=-6.1!) USER MOD Single : B 264 CYS SG : rot -54:sc= 0.00571 USER MOD Single : B 267 SER OG : rot -170:sc= 1.14 USER MOD Single : B 268 MET CE :methyl 167:sc= 0 (180deg=-0.109) USER MOD Single : B 271 LYS NZ :NH3+ -179:sc= 2.19 (180deg=2.19) USER MOD Single : B 274 TYR OH : rot 149:sc= 1.24 USER MOD Single : B 276 TYR OH : rot -112:sc= 0.00971 USER MOD Single : B 277 HIS : no HD1:sc= 2.5 K(o=2.5,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 29 12.561 -5.109 59.677 1.00 31.89 N ATOM 2 CA SER A 29 13.603 -5.549 58.704 1.00 30.44 C ATOM 3 C SER A 29 14.990 -5.492 59.331 1.00 28.98 C ATOM 4 O SER A 29 15.131 -5.255 60.531 1.00 28.84 O ATOM 5 CB SER A 29 13.562 -4.663 57.454 1.00 31.78 C ATOM 6 OG SER A 29 13.758 -3.300 57.792 1.00 35.70 O ATOM 0 HA SER A 29 13.416 -6.467 58.454 1.00 30.44 H new ATOM 0 HB2 SER A 29 14.248 -4.947 56.829 1.00 31.78 H new ATOM 0 HB3 SER A 29 12.708 -4.769 57.006 1.00 31.78 H new ATOM 0 HG SER A 29 13.242 -3.090 58.421 1.00 35.70 H new ATOM 7 N GLY A 30 16.014 -5.709 58.511 1.00 27.27 N ATOM 8 CA GLY A 30 17.378 -5.680 59.005 1.00 24.46 C ATOM 9 C GLY A 30 17.895 -4.277 59.252 1.00 24.23 C ATOM 10 O GLY A 30 17.168 -3.298 59.093 1.00 23.10 O ATOM 0 H GLY A 30 15.937 -5.874 57.670 1.00 27.27 H new ATOM 0 HA2 GLY A 30 17.427 -6.186 59.831 1.00 24.46 H new ATOM 0 HA3 GLY A 30 17.957 -6.124 58.365 1.00 24.46 H new ATOM 11 N ILE A 31 19.162 -4.182 59.639 1.00 23.49 N ATOM 12 CA ILE A 31 19.794 -2.898 59.920 1.00 24.47 C ATOM 13 C ILE A 31 19.730 -1.957 58.716 1.00 24.76 C ATOM 14 O ILE A 31 20.071 -2.343 57.597 1.00 23.18 O ATOM 15 CB ILE A 31 21.278 -3.094 60.315 1.00 25.54 C ATOM 16 CG1 ILE A 31 21.381 -4.067 61.496 1.00 27.09 C ATOM 17 CG2 ILE A 31 21.909 -1.758 60.666 1.00 25.68 C ATOM 18 CD1 ILE A 31 20.659 -3.608 62.754 1.00 30.36 C ATOM 0 H ILE A 31 19.680 -4.860 59.746 1.00 23.49 H new ATOM 0 HA ILE A 31 19.303 -2.500 60.656 1.00 24.47 H new ATOM 0 HB ILE A 31 21.759 -3.470 59.561 1.00 25.54 H new ATOM 0 HG12 ILE A 31 21.021 -4.926 61.225 1.00 27.09 H new ATOM 0 HG13 ILE A 31 22.318 -4.205 61.706 1.00 27.09 H new ATOM 0 HG21 ILE A 31 22.838 -1.893 60.912 1.00 25.68 H new ATOM 0 HG22 ILE A 31 21.861 -1.166 59.899 1.00 25.68 H new ATOM 0 HG23 ILE A 31 21.432 -1.361 61.412 1.00 25.68 H new ATOM 0 HD11 ILE A 31 20.770 -4.273 63.452 1.00 30.36 H new ATOM 0 HD12 ILE A 31 21.031 -2.763 63.051 1.00 30.36 H new ATOM 0 HD13 ILE A 31 19.715 -3.495 62.563 1.00 30.36 H new ATOM 19 N SER A 32 19.286 -0.725 58.957 1.00 24.03 N ATOM 20 CA SER A 32 19.186 0.295 57.911 1.00 24.96 C ATOM 21 C SER A 32 20.202 1.387 58.252 1.00 25.73 C ATOM 22 O SER A 32 20.236 1.868 59.386 1.00 23.64 O ATOM 23 CB SER A 32 17.770 0.880 57.882 1.00 25.62 C ATOM 24 OG SER A 32 17.616 1.805 56.820 1.00 27.37 O ATOM 0 H SER A 32 19.033 -0.455 59.734 1.00 24.03 H new ATOM 0 HA SER A 32 19.368 -0.085 57.037 1.00 24.96 H new ATOM 0 HB2 SER A 32 17.124 0.163 57.785 1.00 25.62 H new ATOM 0 HB3 SER A 32 17.582 1.319 58.726 1.00 25.62 H new ATOM 0 HG SER A 32 16.833 2.110 56.825 1.00 27.37 H new ATOM 25 N LEU A 33 21.024 1.781 57.280 1.00 24.94 N ATOM 26 CA LEU A 33 22.051 2.792 57.532 1.00 25.97 C ATOM 27 C LEU A 33 21.800 4.212 57.008 1.00 27.16 C ATOM 28 O LEU A 33 22.260 5.180 57.616 1.00 27.72 O ATOM 29 CB LEU A 33 23.402 2.291 57.013 1.00 25.21 C ATOM 30 CG LEU A 33 23.918 0.993 57.644 1.00 26.32 C ATOM 31 CD1 LEU A 33 25.302 0.682 57.100 1.00 24.96 C ATOM 32 CD2 LEU A 33 23.964 1.134 59.165 1.00 26.76 C ATOM 0 H LEU A 33 21.005 1.479 56.475 1.00 24.94 H new ATOM 0 HA LEU A 33 22.032 2.897 58.496 1.00 25.97 H new ATOM 0 HB2 LEU A 33 23.333 2.160 56.054 1.00 25.21 H new ATOM 0 HB3 LEU A 33 24.063 2.986 57.157 1.00 25.21 H new ATOM 0 HG LEU A 33 23.318 0.264 57.420 1.00 26.32 H new ATOM 0 HD11 LEU A 33 25.630 -0.139 57.499 1.00 24.96 H new ATOM 0 HD12 LEU A 33 25.255 0.577 56.137 1.00 24.96 H new ATOM 0 HD13 LEU A 33 25.906 1.409 57.317 1.00 24.96 H new ATOM 0 HD21 LEU A 33 24.291 0.309 59.557 1.00 26.76 H new ATOM 0 HD22 LEU A 33 24.557 1.863 59.405 1.00 26.76 H new ATOM 0 HD23 LEU A 33 23.073 1.319 59.500 1.00 26.76 H new ATOM 33 N ASP A 34 21.093 4.341 55.889 1.00 27.01 N ATOM 34 CA ASP A 34 20.800 5.656 55.312 1.00 27.02 C ATOM 35 C ASP A 34 22.047 6.487 55.005 1.00 24.20 C ATOM 36 O ASP A 34 22.091 7.682 55.298 1.00 23.64 O ATOM 37 CB ASP A 34 19.899 6.460 56.254 1.00 31.17 C ATOM 38 CG ASP A 34 18.546 5.818 56.450 1.00 35.72 C ATOM 39 OD1 ASP A 34 17.800 5.692 55.456 1.00 39.10 O ATOM 40 OD2 ASP A 34 18.229 5.438 57.599 1.00 39.25 O ATOM 0 H ASP A 34 20.772 3.678 55.445 1.00 27.01 H new ATOM 0 HA ASP A 34 20.355 5.478 54.469 1.00 27.02 H new ATOM 0 HB2 ASP A 34 20.337 6.553 57.114 1.00 31.17 H new ATOM 0 HB3 ASP A 34 19.781 7.354 55.898 1.00 31.17 H new ATOM 41 N ASN A 35 23.058 5.867 54.412 1.00 20.90 N ATOM 42 CA ASN A 35 24.277 6.600 54.097 1.00 18.41 C ATOM 43 C ASN A 35 24.259 7.229 52.706 1.00 15.63 C ATOM 44 O ASN A 35 25.115 8.052 52.387 1.00 12.42 O ATOM 45 CB ASN A 35 25.495 5.686 54.240 1.00 21.32 C ATOM 46 CG ASN A 35 25.692 5.205 55.665 1.00 25.04 C ATOM 47 OD1 ASN A 35 25.712 6.006 56.604 1.00 25.34 O ATOM 48 ND2 ASN A 35 25.838 3.896 55.836 1.00 25.17 N ATOM 0 H ASN A 35 23.061 5.037 54.187 1.00 20.90 H new ATOM 0 HA ASN A 35 24.332 7.329 54.734 1.00 18.41 H new ATOM 0 HB2 ASN A 35 25.392 4.920 53.654 1.00 21.32 H new ATOM 0 HB3 ASN A 35 26.289 6.161 53.949 1.00 21.32 H new ATOM 0 HD21 ASN A 35 25.952 3.576 56.626 1.00 25.17 H new ATOM 0 HD22 ASN A 35 25.818 3.369 55.157 1.00 25.17 H new ATOM 49 N SER A 36 23.288 6.847 51.881 1.00 13.74 N ATOM 50 CA SER A 36 23.198 7.401 50.530 1.00 12.85 C ATOM 51 C SER A 36 21.790 7.889 50.194 1.00 12.14 C ATOM 52 O SER A 36 20.798 7.320 50.645 1.00 12.94 O ATOM 53 CB SER A 36 23.636 6.355 49.503 1.00 14.54 C ATOM 54 OG SER A 36 22.745 5.258 49.490 1.00 20.91 O ATOM 0 H SER A 36 22.677 6.275 52.079 1.00 13.74 H new ATOM 0 HA SER A 36 23.791 8.168 50.497 1.00 12.85 H new ATOM 0 HB2 SER A 36 23.673 6.757 48.621 1.00 14.54 H new ATOM 0 HB3 SER A 36 24.532 6.047 49.711 1.00 14.54 H new ATOM 0 HG SER A 36 22.507 5.081 50.276 1.00 20.91 H new ATOM 55 N TYR A 37 21.708 8.945 49.393 1.00 11.36 N ATOM 56 CA TYR A 37 20.418 9.502 49.003 1.00 10.31 C ATOM 57 C TYR A 37 19.534 8.479 48.303 1.00 10.87 C ATOM 58 O TYR A 37 20.023 7.614 47.573 1.00 12.47 O ATOM 59 CB TYR A 37 20.617 10.691 48.066 1.00 10.16 C ATOM 60 CG TYR A 37 21.153 11.935 48.734 1.00 9.74 C ATOM 61 CD1 TYR A 37 20.373 12.655 49.641 1.00 9.29 C ATOM 62 CD2 TYR A 37 22.424 12.418 48.426 1.00 9.45 C ATOM 63 CE1 TYR A 37 20.848 13.835 50.220 1.00 9.83 C ATOM 64 CE2 TYR A 37 22.908 13.598 49.001 1.00 9.89 C ATOM 65 CZ TYR A 37 22.115 14.298 49.892 1.00 9.76 C ATOM 66 OH TYR A 37 22.580 15.471 50.440 1.00 9.19 O ATOM 0 H TYR A 37 22.389 9.355 49.064 1.00 11.36 H new ATOM 0 HA TYR A 37 19.977 9.781 49.821 1.00 10.31 H new ATOM 0 HB2 TYR A 37 21.226 10.431 47.357 1.00 10.16 H new ATOM 0 HB3 TYR A 37 19.768 10.903 47.647 1.00 10.16 H new ATOM 0 HD1 TYR A 37 19.525 12.345 49.863 1.00 9.29 H new ATOM 0 HD2 TYR A 37 22.959 11.948 47.828 1.00 9.45 H new ATOM 0 HE1 TYR A 37 20.319 14.307 50.821 1.00 9.83 H new ATOM 0 HE2 TYR A 37 23.757 13.910 48.786 1.00 9.89 H new ATOM 0 HH TYR A 37 21.939 15.896 50.777 1.00 9.19 H new ATOM 67 N LYS A 38 18.229 8.584 48.533 1.00 11.94 N ATOM 68 CA LYS A 38 17.263 7.695 47.896 1.00 13.27 C ATOM 69 C LYS A 38 17.167 8.170 46.448 1.00 12.92 C ATOM 70 O LYS A 38 16.621 9.238 46.174 1.00 13.16 O ATOM 71 CB LYS A 38 15.899 7.816 48.588 1.00 13.54 C ATOM 72 CG LYS A 38 14.758 7.058 47.911 1.00 17.18 C ATOM 73 CD LYS A 38 13.450 7.231 48.693 1.00 17.03 C ATOM 74 CE LYS A 38 12.243 6.721 47.918 1.00 18.02 C ATOM 75 NZ LYS A 38 12.328 5.262 47.619 1.00 21.25 N ATOM 0 H LYS A 38 17.880 9.168 49.059 1.00 11.94 H new ATOM 0 HA LYS A 38 17.533 6.765 47.953 1.00 13.27 H new ATOM 0 HB2 LYS A 38 15.985 7.496 49.500 1.00 13.54 H new ATOM 0 HB3 LYS A 38 15.660 8.755 48.638 1.00 13.54 H new ATOM 0 HG2 LYS A 38 14.643 7.381 47.004 1.00 17.18 H new ATOM 0 HG3 LYS A 38 14.981 6.116 47.850 1.00 17.18 H new ATOM 0 HD2 LYS A 38 13.514 6.756 49.536 1.00 17.03 H new ATOM 0 HD3 LYS A 38 13.323 8.169 48.904 1.00 17.03 H new ATOM 0 HE2 LYS A 38 11.437 6.897 48.429 1.00 18.02 H new ATOM 0 HE3 LYS A 38 12.165 7.214 47.086 1.00 18.02 H new ATOM 0 HZ1 LYS A 38 11.604 5.009 47.167 1.00 21.25 H new ATOM 0 HZ2 LYS A 38 13.054 5.101 47.130 1.00 21.25 H new ATOM 0 HZ3 LYS A 38 12.376 4.805 48.381 1.00 21.25 H new ATOM 76 N MET A 39 17.714 7.386 45.526 1.00 13.58 N ATOM 77 CA MET A 39 17.694 7.761 44.117 1.00 13.58 C ATOM 78 C MET A 39 16.799 6.864 43.275 1.00 15.76 C ATOM 79 O MET A 39 16.943 6.804 42.052 1.00 17.07 O ATOM 80 CB MET A 39 19.119 7.751 43.554 1.00 13.58 C ATOM 81 CG MET A 39 20.039 8.796 44.175 1.00 11.98 C ATOM 82 SD MET A 39 19.491 10.491 43.866 1.00 13.86 S ATOM 83 CE MET A 39 20.110 10.745 42.183 1.00 12.60 C ATOM 0 H MET A 39 18.100 6.636 45.694 1.00 13.58 H new ATOM 0 HA MET A 39 17.321 8.655 44.069 1.00 13.58 H new ATOM 0 HB2 MET A 39 19.505 6.872 43.691 1.00 13.58 H new ATOM 0 HB3 MET A 39 19.079 7.897 42.596 1.00 13.58 H new ATOM 0 HG2 MET A 39 20.090 8.647 45.132 1.00 11.98 H new ATOM 0 HG3 MET A 39 20.935 8.682 43.822 1.00 11.98 H new ATOM 0 HE1 MET A 39 19.964 11.667 41.920 1.00 12.60 H new ATOM 0 HE2 MET A 39 21.059 10.548 42.154 1.00 12.60 H new ATOM 0 HE3 MET A 39 19.639 10.156 41.573 1.00 12.60 H new ATOM 84 N ASP A 40 15.863 6.176 43.924 1.00 17.11 N ATOM 85 CA ASP A 40 14.965 5.295 43.195 1.00 18.08 C ATOM 86 C ASP A 40 13.523 5.789 43.123 1.00 17.59 C ATOM 87 O ASP A 40 12.590 4.985 43.053 1.00 18.03 O ATOM 88 CB ASP A 40 15.003 3.874 43.773 1.00 19.74 C ATOM 89 CG ASP A 40 14.458 3.796 45.181 1.00 21.71 C ATOM 90 OD1 ASP A 40 14.320 2.664 45.692 1.00 25.47 O ATOM 91 OD2 ASP A 40 14.171 4.854 45.777 1.00 22.46 O ATOM 0 H ASP A 40 15.734 6.206 44.774 1.00 17.11 H new ATOM 0 HA ASP A 40 15.297 5.291 42.284 1.00 18.08 H new ATOM 0 HB2 ASP A 40 14.490 3.283 43.200 1.00 19.74 H new ATOM 0 HB3 ASP A 40 15.918 3.552 43.767 1.00 19.74 H new ATOM 92 N TYR A 41 13.335 7.106 43.157 1.00 15.06 N ATOM 93 CA TYR A 41 11.993 7.663 43.020 1.00 13.77 C ATOM 94 C TYR A 41 11.618 7.384 41.563 1.00 12.21 C ATOM 95 O TYR A 41 12.471 6.996 40.769 1.00 13.32 O ATOM 96 CB TYR A 41 11.986 9.178 43.258 1.00 13.93 C ATOM 97 CG TYR A 41 11.977 9.601 44.710 1.00 12.39 C ATOM 98 CD1 TYR A 41 13.163 9.730 45.434 1.00 12.33 C ATOM 99 CD2 TYR A 41 10.778 9.895 45.354 1.00 13.23 C ATOM 100 CE1 TYR A 41 13.151 10.144 46.764 1.00 11.49 C ATOM 101 CE2 TYR A 41 10.752 10.306 46.681 1.00 12.64 C ATOM 102 CZ TYR A 41 11.939 10.429 47.380 1.00 11.39 C ATOM 103 OH TYR A 41 11.907 10.828 48.692 1.00 13.45 O ATOM 0 H TYR A 41 13.962 7.687 43.257 1.00 15.06 H new ATOM 0 HA TYR A 41 11.380 7.275 43.664 1.00 13.77 H new ATOM 0 HB2 TYR A 41 12.767 9.562 42.829 1.00 13.93 H new ATOM 0 HB3 TYR A 41 11.207 9.556 42.821 1.00 13.93 H new ATOM 0 HD1 TYR A 41 13.974 9.537 45.022 1.00 12.33 H new ATOM 0 HD2 TYR A 41 9.978 9.815 44.886 1.00 13.23 H new ATOM 0 HE1 TYR A 41 13.948 10.229 47.236 1.00 11.49 H new ATOM 0 HE2 TYR A 41 9.942 10.497 47.096 1.00 12.64 H new ATOM 0 HH TYR A 41 12.687 10.829 49.004 1.00 13.45 H new ATOM 104 N PRO A 42 10.340 7.570 41.194 1.00 11.88 N ATOM 105 CA PRO A 42 9.906 7.323 39.814 1.00 13.84 C ATOM 106 C PRO A 42 10.750 8.055 38.764 1.00 14.41 C ATOM 107 O PRO A 42 11.033 7.512 37.695 1.00 15.78 O ATOM 108 CB PRO A 42 8.455 7.792 39.827 1.00 13.79 C ATOM 109 CG PRO A 42 8.014 7.421 41.215 1.00 13.96 C ATOM 110 CD PRO A 42 9.187 7.889 42.056 1.00 12.70 C ATOM 0 HA PRO A 42 10.009 6.393 39.557 1.00 13.84 H new ATOM 0 HB2 PRO A 42 8.381 8.746 39.666 1.00 13.79 H new ATOM 0 HB3 PRO A 42 7.924 7.348 39.147 1.00 13.79 H new ATOM 0 HG2 PRO A 42 7.189 7.865 41.464 1.00 13.96 H new ATOM 0 HG3 PRO A 42 7.861 6.467 41.304 1.00 13.96 H new ATOM 0 HD2 PRO A 42 9.135 8.837 42.254 1.00 12.70 H new ATOM 0 HD3 PRO A 42 9.231 7.424 42.906 1.00 12.70 H new ATOM 111 N GLU A 43 11.152 9.283 39.079 1.00 14.53 N ATOM 112 CA GLU A 43 11.965 10.091 38.173 1.00 14.06 C ATOM 113 C GLU A 43 13.280 10.511 38.826 1.00 12.59 C ATOM 114 O GLU A 43 13.318 10.809 40.018 1.00 11.23 O ATOM 115 CB GLU A 43 11.208 11.358 37.777 1.00 16.05 C ATOM 116 CG GLU A 43 9.865 11.134 37.110 1.00 21.07 C ATOM 117 CD GLU A 43 9.054 12.412 37.043 1.00 25.43 C ATOM 118 OE1 GLU A 43 9.619 13.451 36.637 1.00 27.10 O ATOM 119 OE2 GLU A 43 7.856 12.382 37.395 1.00 28.74 O ATOM 0 H GLU A 43 10.962 9.671 39.822 1.00 14.53 H new ATOM 0 HA GLU A 43 12.154 9.546 37.393 1.00 14.06 H new ATOM 0 HB2 GLU A 43 11.071 11.896 38.572 1.00 16.05 H new ATOM 0 HB3 GLU A 43 11.767 11.876 37.177 1.00 16.05 H new ATOM 0 HG2 GLU A 43 10.002 10.790 36.214 1.00 21.07 H new ATOM 0 HG3 GLU A 43 9.368 10.460 37.600 1.00 21.07 H new ATOM 120 N MET A 44 14.356 10.539 38.045 1.00 12.35 N ATOM 121 CA MET A 44 15.646 10.971 38.571 1.00 11.28 C ATOM 122 C MET A 44 15.538 12.458 38.887 1.00 12.43 C ATOM 123 O MET A 44 16.106 12.942 39.866 1.00 11.16 O ATOM 124 CB MET A 44 16.757 10.731 37.542 1.00 11.94 C ATOM 125 CG MET A 44 17.268 9.294 37.507 1.00 12.76 C ATOM 126 SD MET A 44 18.106 8.824 39.049 1.00 12.53 S ATOM 127 CE MET A 44 19.777 9.398 38.730 1.00 15.99 C ATOM 0 H MET A 44 14.361 10.314 37.215 1.00 12.35 H new ATOM 0 HA MET A 44 15.869 10.465 39.368 1.00 11.28 H new ATOM 0 HB2 MET A 44 16.427 10.969 36.661 1.00 11.94 H new ATOM 0 HB3 MET A 44 17.499 11.324 37.737 1.00 11.94 H new ATOM 0 HG2 MET A 44 16.524 8.692 37.349 1.00 12.76 H new ATOM 0 HG3 MET A 44 17.881 9.189 36.763 1.00 12.76 H new ATOM 0 HE1 MET A 44 20.374 9.052 39.412 1.00 15.99 H new ATOM 0 HE2 MET A 44 20.066 9.085 37.859 1.00 15.99 H new ATOM 0 HE3 MET A 44 19.795 10.368 38.747 1.00 15.99 H new ATOM 128 N GLY A 45 14.796 13.179 38.051 1.00 11.25 N ATOM 129 CA GLY A 45 14.620 14.602 38.269 1.00 10.15 C ATOM 130 C GLY A 45 14.939 15.426 37.041 1.00 11.09 C ATOM 131 O GLY A 45 15.228 14.889 35.975 1.00 11.31 O ATOM 0 H GLY A 45 14.392 12.864 37.360 1.00 11.25 H new ATOM 0 HA2 GLY A 45 13.704 14.773 38.539 1.00 10.15 H new ATOM 0 HA3 GLY A 45 15.190 14.886 39.001 1.00 10.15 H new ATOM 132 N LEU A 46 14.903 16.743 37.195 1.00 11.64 N ATOM 133 CA LEU A 46 15.190 17.635 36.086 1.00 12.36 C ATOM 134 C LEU A 46 16.668 17.994 35.986 1.00 12.27 C ATOM 135 O LEU A 46 17.390 18.000 36.982 1.00 11.58 O ATOM 136 CB LEU A 46 14.400 18.935 36.238 1.00 12.88 C ATOM 137 CG LEU A 46 12.895 18.858 36.466 1.00 11.97 C ATOM 138 CD1 LEU A 46 12.343 20.276 36.600 1.00 12.78 C ATOM 139 CD2 LEU A 46 12.230 18.117 35.309 1.00 11.40 C ATOM 0 H LEU A 46 14.714 17.139 37.935 1.00 11.64 H new ATOM 0 HA LEU A 46 14.932 17.159 35.281 1.00 12.36 H new ATOM 0 HB2 LEU A 46 14.785 19.427 36.980 1.00 12.88 H new ATOM 0 HB3 LEU A 46 14.549 19.464 35.439 1.00 12.88 H new ATOM 0 HG LEU A 46 12.706 18.367 37.281 1.00 11.97 H new ATOM 0 HD11 LEU A 46 11.385 20.238 36.746 1.00 12.78 H new ATOM 0 HD12 LEU A 46 12.767 20.719 37.352 1.00 12.78 H new ATOM 0 HD13 LEU A 46 12.527 20.773 35.788 1.00 12.78 H new ATOM 0 HD21 LEU A 46 11.273 18.072 35.461 1.00 11.40 H new ATOM 0 HD22 LEU A 46 12.403 18.589 34.480 1.00 11.40 H new ATOM 0 HD23 LEU A 46 12.590 17.218 35.250 1.00 11.40 H new ATOM 140 N CYS A 47 17.101 18.275 34.762 1.00 11.23 N ATOM 141 CA CYS A 47 18.457 18.723 34.490 1.00 10.23 C ATOM 142 C CYS A 47 18.247 19.940 33.606 1.00 10.96 C ATOM 143 O CYS A 47 18.041 19.812 32.394 1.00 10.89 O ATOM 144 CB CYS A 47 19.281 17.688 33.724 1.00 9.61 C ATOM 145 SG CYS A 47 20.906 18.351 33.214 1.00 12.47 S ATOM 0 H CYS A 47 16.609 18.210 34.060 1.00 11.23 H new ATOM 0 HA CYS A 47 18.945 18.892 35.311 1.00 10.23 H new ATOM 0 HB2 CYS A 47 19.412 16.904 34.280 1.00 9.61 H new ATOM 0 HB3 CYS A 47 18.789 17.400 32.939 1.00 9.61 H new ATOM 0 HG CYS A 47 21.704 17.456 33.158 1.00 12.47 H new ATOM 146 N ILE A 48 18.271 21.115 34.222 1.00 9.49 N ATOM 147 CA ILE A 48 18.079 22.364 33.496 1.00 11.82 C ATOM 148 C ILE A 48 19.416 22.903 33.018 1.00 11.65 C ATOM 149 O ILE A 48 20.311 23.164 33.823 1.00 11.41 O ATOM 150 CB ILE A 48 17.418 23.415 34.391 1.00 12.10 C ATOM 151 CG1 ILE A 48 16.104 22.862 34.933 1.00 15.78 C ATOM 152 CG2 ILE A 48 17.162 24.695 33.609 1.00 12.01 C ATOM 153 CD1 ILE A 48 15.456 23.781 35.919 1.00 23.07 C ATOM 0 H ILE A 48 18.398 21.211 35.067 1.00 9.49 H new ATOM 0 HA ILE A 48 17.505 22.181 32.736 1.00 11.82 H new ATOM 0 HB ILE A 48 18.012 23.622 35.129 1.00 12.10 H new ATOM 0 HG12 ILE A 48 15.495 22.704 34.195 1.00 15.78 H new ATOM 0 HG13 ILE A 48 16.268 22.004 35.355 1.00 15.78 H new ATOM 0 HG21 ILE A 48 16.743 25.350 34.189 1.00 12.01 H new ATOM 0 HG22 ILE A 48 18.004 25.047 33.279 1.00 12.01 H new ATOM 0 HG23 ILE A 48 16.576 24.505 32.860 1.00 12.01 H new ATOM 0 HD11 ILE A 48 14.627 23.387 36.233 1.00 23.07 H new ATOM 0 HD12 ILE A 48 16.052 23.922 36.671 1.00 23.07 H new ATOM 0 HD13 ILE A 48 15.267 24.632 35.493 1.00 23.07 H new ATOM 154 N ILE A 49 19.548 23.067 31.707 1.00 10.12 N ATOM 155 CA ILE A 49 20.782 23.576 31.131 1.00 9.81 C ATOM 156 C ILE A 49 20.571 24.963 30.535 1.00 10.15 C ATOM 157 O ILE A 49 19.760 25.143 29.625 1.00 10.71 O ATOM 158 CB ILE A 49 21.315 22.640 30.023 1.00 9.83 C ATOM 159 CG1 ILE A 49 21.589 21.250 30.602 1.00 10.42 C ATOM 160 CG2 ILE A 49 22.584 23.226 29.411 1.00 8.89 C ATOM 161 CD1 ILE A 49 22.039 20.219 29.568 1.00 9.92 C ATOM 0 H ILE A 49 18.932 22.889 31.134 1.00 10.12 H new ATOM 0 HA ILE A 49 21.431 23.622 31.850 1.00 9.81 H new ATOM 0 HB ILE A 49 20.646 22.558 29.325 1.00 9.83 H new ATOM 0 HG12 ILE A 49 22.271 21.325 31.287 1.00 10.42 H new ATOM 0 HG13 ILE A 49 20.784 20.927 31.037 1.00 10.42 H new ATOM 0 HG21 ILE A 49 22.912 22.633 28.717 1.00 8.89 H new ATOM 0 HG22 ILE A 49 22.387 24.095 29.027 1.00 8.89 H new ATOM 0 HG23 ILE A 49 23.261 23.323 30.099 1.00 8.89 H new ATOM 0 HD11 ILE A 49 22.193 19.367 30.006 1.00 9.92 H new ATOM 0 HD12 ILE A 49 21.350 20.115 28.893 1.00 9.92 H new ATOM 0 HD13 ILE A 49 22.860 20.519 29.148 1.00 9.92 H new ATOM 162 N ILE A 50 21.286 25.945 31.070 1.00 8.89 N ATOM 163 CA ILE A 50 21.191 27.307 30.567 1.00 9.93 C ATOM 164 C ILE A 50 22.474 27.565 29.790 1.00 10.77 C ATOM 165 O ILE A 50 23.560 27.675 30.361 1.00 10.51 O ATOM 166 CB ILE A 50 21.026 28.324 31.713 1.00 8.33 C ATOM 167 CG1 ILE A 50 19.704 28.047 32.441 1.00 10.75 C ATOM 168 CG2 ILE A 50 21.041 29.748 31.157 1.00 11.28 C ATOM 169 CD1 ILE A 50 19.394 29.005 33.576 1.00 11.89 C ATOM 0 H ILE A 50 21.833 25.843 31.726 1.00 8.89 H new ATOM 0 HA ILE A 50 20.409 27.411 30.002 1.00 9.93 H new ATOM 0 HB ILE A 50 21.762 28.234 32.338 1.00 8.33 H new ATOM 0 HG12 ILE A 50 18.980 28.083 31.796 1.00 10.75 H new ATOM 0 HG13 ILE A 50 19.726 27.143 32.793 1.00 10.75 H new ATOM 0 HG21 ILE A 50 20.937 30.381 31.885 1.00 11.28 H new ATOM 0 HG22 ILE A 50 21.884 29.911 30.706 1.00 11.28 H new ATOM 0 HG23 ILE A 50 20.312 29.857 30.527 1.00 11.28 H new ATOM 0 HD11 ILE A 50 18.547 28.763 33.982 1.00 11.89 H new ATOM 0 HD12 ILE A 50 20.097 28.956 34.243 1.00 11.89 H new ATOM 0 HD13 ILE A 50 19.340 29.910 33.230 1.00 11.89 H new ATOM 170 N ASN A 51 22.324 27.644 28.473 1.00 10.79 N ATOM 171 CA ASN A 51 23.441 27.839 27.562 1.00 12.57 C ATOM 172 C ASN A 51 23.479 29.246 26.969 1.00 12.82 C ATOM 173 O ASN A 51 22.741 29.553 26.032 1.00 11.78 O ATOM 174 CB ASN A 51 23.345 26.791 26.449 1.00 10.87 C ATOM 175 CG ASN A 51 24.472 26.893 25.443 1.00 14.31 C ATOM 176 OD1 ASN A 51 25.638 27.006 25.811 1.00 16.00 O ATOM 177 ND2 ASN A 51 24.127 26.834 24.160 1.00 14.10 N ATOM 0 H ASN A 51 21.561 27.585 28.080 1.00 10.79 H new ATOM 0 HA ASN A 51 24.266 27.734 28.062 1.00 12.57 H new ATOM 0 HB2 ASN A 51 23.350 25.905 26.844 1.00 10.87 H new ATOM 0 HB3 ASN A 51 22.497 26.892 25.989 1.00 10.87 H new ATOM 0 HD21 ASN A 51 24.732 26.875 23.550 1.00 14.10 H new ATOM 0 HD22 ASN A 51 23.299 26.755 23.941 1.00 14.10 H new ATOM 178 N ASN A 52 24.338 30.098 27.521 1.00 11.42 N ATOM 179 CA ASN A 52 24.466 31.460 27.020 1.00 13.68 C ATOM 180 C ASN A 52 25.690 31.614 26.126 1.00 14.78 C ATOM 181 O ASN A 52 26.831 31.640 26.595 1.00 13.38 O ATOM 182 CB ASN A 52 24.519 32.456 28.178 1.00 12.64 C ATOM 183 CG ASN A 52 23.145 32.726 28.770 1.00 12.59 C ATOM 184 OD1 ASN A 52 22.131 32.264 28.246 1.00 12.44 O ATOM 185 ND2 ASN A 52 23.106 33.484 29.860 1.00 16.10 N ATOM 0 H ASN A 52 24.853 29.907 28.183 1.00 11.42 H new ATOM 0 HA ASN A 52 23.682 31.650 26.482 1.00 13.68 H new ATOM 0 HB2 ASN A 52 25.105 32.113 28.870 1.00 12.64 H new ATOM 0 HB3 ASN A 52 24.905 33.290 27.867 1.00 12.64 H new ATOM 0 HD21 ASN A 52 22.351 33.670 30.228 1.00 16.10 H new ATOM 0 HD22 ASN A 52 23.836 33.789 30.198 1.00 16.10 H new ATOM 186 N LYS A 53 25.430 31.726 24.827 1.00 15.80 N ATOM 187 CA LYS A 53 26.484 31.855 23.828 1.00 15.94 C ATOM 188 C LYS A 53 26.618 33.282 23.303 1.00 17.18 C ATOM 189 O LYS A 53 27.725 33.807 23.183 1.00 16.77 O ATOM 190 CB LYS A 53 26.196 30.909 22.657 1.00 15.92 C ATOM 191 CG LYS A 53 27.314 30.828 21.627 1.00 18.04 C ATOM 192 CD LYS A 53 26.972 29.869 20.491 1.00 18.70 C ATOM 193 CE LYS A 53 25.794 30.378 19.666 1.00 22.23 C ATOM 194 NZ LYS A 53 25.463 29.459 18.538 1.00 25.04 N ATOM 0 H LYS A 53 24.635 31.729 24.500 1.00 15.80 H new ATOM 0 HA LYS A 53 27.322 31.622 24.258 1.00 15.94 H new ATOM 0 HB2 LYS A 53 26.028 30.020 23.007 1.00 15.92 H new ATOM 0 HB3 LYS A 53 25.383 31.198 22.214 1.00 15.92 H new ATOM 0 HG2 LYS A 53 27.484 31.711 21.264 1.00 18.04 H new ATOM 0 HG3 LYS A 53 28.132 30.537 22.060 1.00 18.04 H new ATOM 0 HD2 LYS A 53 27.746 29.756 19.917 1.00 18.70 H new ATOM 0 HD3 LYS A 53 26.760 28.996 20.856 1.00 18.70 H new ATOM 0 HE2 LYS A 53 25.018 30.478 20.239 1.00 22.23 H new ATOM 0 HE3 LYS A 53 26.002 31.258 19.315 1.00 22.23 H new ATOM 0 HZ1 LYS A 53 24.612 29.572 18.303 1.00 25.04 H new ATOM 0 HZ2 LYS A 53 25.989 29.640 17.843 1.00 25.04 H new ATOM 0 HZ3 LYS A 53 25.590 28.616 18.794 1.00 25.04 H new ATOM 195 N ASN A 54 25.482 33.900 22.990 1.00 17.95 N ATOM 196 CA ASN A 54 25.453 35.259 22.458 1.00 18.49 C ATOM 197 C ASN A 54 24.916 36.255 23.474 1.00 17.99 C ATOM 198 O ASN A 54 23.851 36.050 24.054 1.00 18.84 O ATOM 199 CB ASN A 54 24.584 35.300 21.203 1.00 19.65 C ATOM 200 CG ASN A 54 25.054 34.330 20.149 1.00 21.41 C ATOM 201 OD1 ASN A 54 26.169 34.445 19.640 1.00 24.90 O ATOM 202 ND2 ASN A 54 24.210 33.358 19.819 1.00 24.69 N ATOM 0 H ASN A 54 24.705 33.542 23.080 1.00 17.95 H new ATOM 0 HA ASN A 54 26.365 35.511 22.245 1.00 18.49 H new ATOM 0 HB2 ASN A 54 23.666 35.096 21.441 1.00 19.65 H new ATOM 0 HB3 ASN A 54 24.589 36.199 20.838 1.00 19.65 H new ATOM 0 HD21 ASN A 54 24.435 32.776 19.227 1.00 24.69 H new ATOM 0 HD22 ASN A 54 23.439 33.311 20.197 1.00 24.69 H new ATOM 203 N PHE A 55 25.657 37.338 23.680 1.00 17.22 N ATOM 204 CA PHE A 55 25.258 38.362 24.635 1.00 17.73 C ATOM 205 C PHE A 55 24.921 39.670 23.932 1.00 18.23 C ATOM 206 O PHE A 55 25.387 39.929 22.824 1.00 18.61 O ATOM 207 CB PHE A 55 26.373 38.584 25.661 1.00 16.02 C ATOM 208 CG PHE A 55 26.716 37.350 26.454 1.00 15.31 C ATOM 209 CD1 PHE A 55 27.360 36.272 25.849 1.00 15.83 C ATOM 210 CD2 PHE A 55 26.347 37.244 27.789 1.00 15.60 C ATOM 211 CE1 PHE A 55 27.625 35.102 26.564 1.00 13.88 C ATOM 212 CE2 PHE A 55 26.608 36.078 28.514 1.00 15.59 C ATOM 213 CZ PHE A 55 27.246 35.007 27.898 1.00 14.60 C ATOM 0 H PHE A 55 26.398 37.498 23.274 1.00 17.22 H new ATOM 0 HA PHE A 55 24.460 38.055 25.093 1.00 17.73 H new ATOM 0 HB2 PHE A 55 27.168 38.895 25.201 1.00 16.02 H new ATOM 0 HB3 PHE A 55 26.105 39.288 26.272 1.00 16.02 H new ATOM 0 HD1 PHE A 55 27.617 36.333 24.957 1.00 15.83 H new ATOM 0 HD2 PHE A 55 25.921 37.958 28.206 1.00 15.60 H new ATOM 0 HE1 PHE A 55 28.054 34.389 26.149 1.00 13.88 H new ATOM 0 HE2 PHE A 55 26.355 36.019 29.407 1.00 15.59 H new ATOM 0 HZ PHE A 55 27.419 34.229 28.377 1.00 14.60 H new ATOM 214 N HIS A 56 24.102 40.488 24.580 1.00 19.92 N ATOM 215 CA HIS A 56 23.702 41.765 24.010 1.00 20.69 C ATOM 216 C HIS A 56 24.907 42.675 23.823 1.00 21.70 C ATOM 217 O HIS A 56 25.737 42.814 24.719 1.00 21.43 O ATOM 218 CB HIS A 56 22.672 42.442 24.913 1.00 21.15 C ATOM 219 CG HIS A 56 21.380 41.692 25.019 1.00 22.06 C ATOM 220 ND1 HIS A 56 20.275 42.201 25.667 1.00 21.36 N ATOM 221 CD2 HIS A 56 21.020 40.467 24.567 1.00 23.95 C ATOM 222 CE1 HIS A 56 19.290 41.322 25.610 1.00 24.59 C ATOM 223 NE2 HIS A 56 19.716 40.261 24.948 1.00 24.69 N ATOM 0 H HIS A 56 23.766 40.321 25.354 1.00 19.92 H new ATOM 0 HA HIS A 56 23.305 41.600 23.141 1.00 20.69 H new ATOM 0 HB2 HIS A 56 23.050 42.546 25.800 1.00 21.15 H new ATOM 0 HB3 HIS A 56 22.493 43.333 24.575 1.00 21.15 H new ATOM 0 HD1 HIS A 56 20.233 42.970 26.049 1.00 21.36 H new ATOM 0 HD2 HIS A 56 21.555 39.876 24.088 1.00 23.95 H new ATOM 0 HE1 HIS A 56 18.441 41.432 25.974 1.00 24.59 H new ATOM 224 N LYS A 57 24.996 43.285 22.646 1.00 23.37 N ATOM 225 CA LYS A 57 26.094 44.188 22.316 1.00 24.17 C ATOM 226 C LYS A 57 26.269 45.227 23.417 1.00 24.16 C ATOM 227 O LYS A 57 27.388 45.606 23.765 1.00 22.11 O ATOM 228 CB LYS A 57 25.805 44.885 20.983 1.00 25.22 C ATOM 229 CG LYS A 57 26.849 45.906 20.562 1.00 29.76 C ATOM 230 CD LYS A 57 26.436 46.616 19.275 1.00 32.86 C ATOM 231 CE LYS A 57 27.442 47.693 18.884 1.00 35.70 C ATOM 232 NZ LYS A 57 27.054 48.399 17.626 1.00 37.69 N ATOM 0 H LYS A 57 24.420 43.187 22.015 1.00 23.37 H new ATOM 0 HA LYS A 57 26.913 43.674 22.238 1.00 24.17 H new ATOM 0 HB2 LYS A 57 25.731 44.211 20.289 1.00 25.22 H new ATOM 0 HB3 LYS A 57 24.944 45.327 21.043 1.00 25.22 H new ATOM 0 HG2 LYS A 57 26.972 46.558 21.270 1.00 29.76 H new ATOM 0 HG3 LYS A 57 27.703 45.465 20.432 1.00 29.76 H new ATOM 0 HD2 LYS A 57 26.358 45.968 18.557 1.00 32.86 H new ATOM 0 HD3 LYS A 57 25.560 47.016 19.392 1.00 32.86 H new ATOM 0 HE2 LYS A 57 27.519 48.338 19.604 1.00 35.70 H new ATOM 0 HE3 LYS A 57 28.317 47.290 18.770 1.00 35.70 H new ATOM 0 HZ1 LYS A 57 27.664 49.018 17.432 1.00 37.69 H new ATOM 0 HZ2 LYS A 57 27.005 47.812 16.959 1.00 37.69 H new ATOM 0 HZ3 LYS A 57 26.262 48.789 17.736 1.00 37.69 H new ATOM 233 N SER A 58 25.146 45.673 23.968 1.00 24.12 N ATOM 234 CA SER A 58 25.148 46.673 25.025 1.00 24.25 C ATOM 235 C SER A 58 25.985 46.286 26.245 1.00 23.24 C ATOM 236 O SER A 58 26.404 47.155 27.010 1.00 24.16 O ATOM 237 CB SER A 58 23.706 46.967 25.449 1.00 24.69 C ATOM 238 OG SER A 58 23.004 45.764 25.720 1.00 26.10 O ATOM 0 H SER A 58 24.362 45.404 23.739 1.00 24.12 H new ATOM 0 HA SER A 58 25.567 47.466 24.656 1.00 24.25 H new ATOM 0 HB2 SER A 58 23.705 47.531 26.238 1.00 24.69 H new ATOM 0 HB3 SER A 58 23.252 47.460 24.747 1.00 24.69 H new ATOM 0 HG SER A 58 22.284 45.756 25.287 1.00 26.10 H new ATOM 239 N THR A 59 26.235 44.990 26.425 1.00 22.14 N ATOM 240 CA THR A 59 27.024 44.509 27.563 1.00 20.64 C ATOM 241 C THR A 59 28.517 44.470 27.240 1.00 21.78 C ATOM 242 O THR A 59 29.360 44.460 28.141 1.00 20.16 O ATOM 243 CB THR A 59 26.620 43.074 27.985 1.00 19.83 C ATOM 244 OG1 THR A 59 26.996 42.152 26.954 1.00 17.58 O ATOM 245 CG2 THR A 59 25.120 42.982 28.230 1.00 18.52 C ATOM 0 H THR A 59 25.956 44.370 25.898 1.00 22.14 H new ATOM 0 HA THR A 59 26.845 45.135 28.282 1.00 20.64 H new ATOM 0 HB THR A 59 27.079 42.853 28.810 1.00 19.83 H new ATOM 0 HG1 THR A 59 26.713 42.429 26.213 1.00 17.58 H new ATOM 0 HG21 THR A 59 24.890 42.077 28.492 1.00 18.52 H new ATOM 0 HG22 THR A 59 24.869 43.597 28.937 1.00 18.52 H new ATOM 0 HG23 THR A 59 24.644 43.213 27.417 1.00 18.52 H new ATOM 246 N GLY A 60 28.836 44.430 25.951 1.00 21.15 N ATOM 247 CA GLY A 60 30.227 44.383 25.541 1.00 23.21 C ATOM 248 C GLY A 60 30.845 43.008 25.718 1.00 24.17 C ATOM 249 O GLY A 60 32.048 42.836 25.525 1.00 25.62 O ATOM 0 H GLY A 60 28.267 44.429 25.307 1.00 21.15 H new ATOM 0 HA2 GLY A 60 30.295 44.646 24.610 1.00 23.21 H new ATOM 0 HA3 GLY A 60 30.734 45.030 26.056 1.00 23.21 H new ATOM 250 N MET A 61 30.033 42.022 26.085 1.00 24.08 N ATOM 251 CA MET A 61 30.544 40.670 26.274 1.00 24.60 C ATOM 252 C MET A 61 30.656 39.942 24.941 1.00 24.90 C ATOM 253 O MET A 61 29.811 40.103 24.059 1.00 25.85 O ATOM 254 CB MET A 61 29.646 39.888 27.240 1.00 24.28 C ATOM 255 CG MET A 61 29.667 40.437 28.662 1.00 25.32 C ATOM 256 SD MET A 61 28.820 39.396 29.868 1.00 26.07 S ATOM 257 CE MET A 61 27.180 40.152 29.883 1.00 22.05 C ATOM 0 H MET A 61 29.190 42.114 26.229 1.00 24.08 H new ATOM 0 HA MET A 61 31.432 40.732 26.660 1.00 24.60 H new ATOM 0 HB2 MET A 61 28.735 39.903 26.908 1.00 24.28 H new ATOM 0 HB3 MET A 61 29.928 38.960 27.254 1.00 24.28 H new ATOM 0 HG2 MET A 61 30.589 40.552 28.940 1.00 25.32 H new ATOM 0 HG3 MET A 61 29.258 41.316 28.665 1.00 25.32 H new ATOM 0 HE1 MET A 61 26.547 39.545 30.298 1.00 22.05 H new ATOM 0 HE2 MET A 61 27.210 40.981 30.386 1.00 22.05 H new ATOM 0 HE3 MET A 61 26.901 40.337 28.973 1.00 22.05 H new ATOM 258 N THR A 62 31.711 39.146 24.798 1.00 25.23 N ATOM 259 CA THR A 62 31.955 38.397 23.570 1.00 24.77 C ATOM 260 C THR A 62 31.205 37.068 23.576 1.00 24.74 C ATOM 261 O THR A 62 30.815 36.571 24.635 1.00 25.30 O ATOM 262 CB THR A 62 33.460 38.103 23.389 1.00 25.62 C ATOM 263 OG1 THR A 62 33.919 37.293 24.477 1.00 28.74 O ATOM 264 CG2 THR A 62 34.258 39.396 23.362 1.00 24.38 C ATOM 0 H THR A 62 32.304 39.025 25.409 1.00 25.23 H new ATOM 0 HA THR A 62 31.637 38.948 22.838 1.00 24.77 H new ATOM 0 HB THR A 62 33.586 37.637 22.548 1.00 25.62 H new ATOM 0 HG1 THR A 62 34.403 37.754 24.985 1.00 28.74 H new ATOM 0 HG21 THR A 62 35.200 39.193 23.248 1.00 24.38 H new ATOM 0 HG22 THR A 62 33.955 39.948 22.624 1.00 24.38 H new ATOM 0 HG23 THR A 62 34.129 39.873 24.197 1.00 24.38 H new ATOM 265 N SER A 63 31.006 36.494 22.393 1.00 22.03 N ATOM 266 CA SER A 63 30.311 35.220 22.282 1.00 21.29 C ATOM 267 C SER A 63 31.196 34.101 22.826 1.00 20.42 C ATOM 268 O SER A 63 32.427 34.193 22.799 1.00 20.37 O ATOM 269 CB SER A 63 29.935 34.943 20.823 1.00 21.82 C ATOM 270 OG SER A 63 31.078 34.915 19.990 1.00 27.60 O ATOM 0 H SER A 63 31.266 36.827 21.644 1.00 22.03 H new ATOM 0 HA SER A 63 29.495 35.259 22.805 1.00 21.29 H new ATOM 0 HB2 SER A 63 29.469 34.095 20.763 1.00 21.82 H new ATOM 0 HB3 SER A 63 29.322 35.626 20.510 1.00 21.82 H new ATOM 0 HG SER A 63 31.379 35.694 19.901 1.00 27.60 H new ATOM 271 N ARG A 64 30.562 33.047 23.327 1.00 17.72 N ATOM 272 CA ARG A 64 31.284 31.919 23.902 1.00 17.50 C ATOM 273 C ARG A 64 31.321 30.728 22.951 1.00 17.86 C ATOM 274 O ARG A 64 30.570 29.765 23.106 1.00 18.49 O ATOM 275 CB ARG A 64 30.636 31.530 25.241 1.00 16.29 C ATOM 276 CG ARG A 64 30.690 32.655 26.276 1.00 14.86 C ATOM 277 CD ARG A 64 29.980 32.316 27.587 1.00 14.11 C ATOM 278 NE ARG A 64 30.544 31.129 28.225 1.00 12.08 N ATOM 279 CZ ARG A 64 30.045 29.904 28.101 1.00 10.58 C ATOM 280 NH1 ARG A 64 28.959 29.700 27.371 1.00 8.32 N ATOM 281 NH2 ARG A 64 30.649 28.877 28.687 1.00 10.24 N ATOM 0 H ARG A 64 29.706 32.966 23.343 1.00 17.72 H new ATOM 0 HA ARG A 64 32.204 32.187 24.054 1.00 17.50 H new ATOM 0 HB2 ARG A 64 29.711 31.282 25.088 1.00 16.29 H new ATOM 0 HB3 ARG A 64 31.085 30.747 25.597 1.00 16.29 H new ATOM 0 HG2 ARG A 64 31.618 32.866 26.465 1.00 14.86 H new ATOM 0 HG3 ARG A 64 30.289 33.453 25.897 1.00 14.86 H new ATOM 0 HD2 ARG A 64 30.046 33.070 28.194 1.00 14.11 H new ATOM 0 HD3 ARG A 64 29.036 32.172 27.415 1.00 14.11 H new ATOM 0 HE ARG A 64 31.245 31.230 28.713 1.00 12.08 H new ATOM 0 HH11 ARG A 64 28.576 30.361 26.976 1.00 8.32 H new ATOM 0 HH12 ARG A 64 28.637 28.906 27.292 1.00 8.32 H new ATOM 0 HH21 ARG A 64 31.364 29.004 29.147 1.00 10.24 H new ATOM 0 HH22 ARG A 64 30.325 28.084 28.606 1.00 10.24 H new ATOM 282 N SER A 65 32.206 30.799 21.962 1.00 18.57 N ATOM 283 CA SER A 65 32.333 29.727 20.985 1.00 19.96 C ATOM 284 C SER A 65 32.623 28.388 21.650 1.00 18.82 C ATOM 285 O SER A 65 33.419 28.301 22.590 1.00 16.17 O ATOM 286 CB SER A 65 33.443 30.050 19.983 1.00 23.48 C ATOM 287 OG SER A 65 34.684 30.205 20.644 1.00 28.65 O ATOM 0 H SER A 65 32.742 31.460 21.840 1.00 18.57 H new ATOM 0 HA SER A 65 31.484 29.657 20.521 1.00 19.96 H new ATOM 0 HB2 SER A 65 33.508 29.340 19.325 1.00 23.48 H new ATOM 0 HB3 SER A 65 33.224 30.863 19.502 1.00 23.48 H new ATOM 0 HG SER A 65 34.633 30.840 21.192 1.00 28.65 H new ATOM 288 N GLY A 66 31.964 27.347 21.151 1.00 18.39 N ATOM 289 CA GLY A 66 32.154 26.015 21.689 1.00 16.92 C ATOM 290 C GLY A 66 31.189 25.629 22.793 1.00 16.52 C ATOM 291 O GLY A 66 31.141 24.465 23.183 1.00 17.15 O ATOM 0 H GLY A 66 31.403 27.395 20.501 1.00 18.39 H new ATOM 0 HA2 GLY A 66 32.071 25.374 20.966 1.00 16.92 H new ATOM 0 HA3 GLY A 66 33.060 25.944 22.029 1.00 16.92 H new ATOM 292 N THR A 67 30.414 26.582 23.302 1.00 15.38 N ATOM 293 CA THR A 67 29.477 26.266 24.376 1.00 13.86 C ATOM 294 C THR A 67 28.363 25.321 23.911 1.00 14.97 C ATOM 295 O THR A 67 27.813 24.557 24.709 1.00 14.05 O ATOM 296 CB THR A 67 28.862 27.550 24.986 1.00 12.61 C ATOM 297 OG1 THR A 67 28.144 27.215 26.183 1.00 12.68 O ATOM 298 CG2 THR A 67 27.919 28.228 24.001 1.00 11.93 C ATOM 0 H THR A 67 30.414 27.403 23.046 1.00 15.38 H new ATOM 0 HA THR A 67 29.989 25.810 25.062 1.00 13.86 H new ATOM 0 HB THR A 67 29.583 28.166 25.192 1.00 12.61 H new ATOM 0 HG1 THR A 67 27.389 26.907 25.980 1.00 12.68 H new ATOM 0 HG21 THR A 67 27.548 29.028 24.406 1.00 11.93 H new ATOM 0 HG22 THR A 67 28.408 28.469 23.199 1.00 11.93 H new ATOM 0 HG23 THR A 67 27.200 27.619 23.770 1.00 11.93 H new ATOM 299 N ASP A 68 28.037 25.359 22.621 1.00 14.14 N ATOM 300 CA ASP A 68 26.996 24.479 22.101 1.00 15.53 C ATOM 301 C ASP A 68 27.447 23.024 22.181 1.00 13.29 C ATOM 302 O ASP A 68 26.623 22.118 22.313 1.00 15.37 O ATOM 303 CB ASP A 68 26.644 24.838 20.654 1.00 16.38 C ATOM 304 CG ASP A 68 25.946 26.180 20.540 1.00 17.05 C ATOM 305 OD1 ASP A 68 25.466 26.699 21.572 1.00 16.80 O ATOM 306 OD2 ASP A 68 25.865 26.712 19.414 1.00 19.12 O ATOM 0 H ASP A 68 28.400 25.878 22.039 1.00 14.14 H new ATOM 0 HA ASP A 68 26.203 24.597 22.646 1.00 15.53 H new ATOM 0 HB2 ASP A 68 27.455 24.852 20.121 1.00 16.38 H new ATOM 0 HB3 ASP A 68 26.073 24.147 20.283 1.00 16.38 H new ATOM 307 N VAL A 69 28.755 22.803 22.095 1.00 13.76 N ATOM 308 CA VAL A 69 29.309 21.453 22.189 1.00 13.77 C ATOM 309 C VAL A 69 29.105 20.961 23.625 1.00 12.71 C ATOM 310 O VAL A 69 28.782 19.792 23.859 1.00 11.43 O ATOM 311 CB VAL A 69 30.820 21.442 21.856 1.00 14.78 C ATOM 312 CG1 VAL A 69 31.373 20.032 21.981 1.00 16.49 C ATOM 313 CG2 VAL A 69 31.045 21.969 20.440 1.00 17.50 C ATOM 0 H VAL A 69 29.341 23.422 21.982 1.00 13.76 H new ATOM 0 HA VAL A 69 28.859 20.877 21.552 1.00 13.77 H new ATOM 0 HB VAL A 69 31.285 22.017 22.484 1.00 14.78 H new ATOM 0 HG11 VAL A 69 32.320 20.036 21.770 1.00 16.49 H new ATOM 0 HG12 VAL A 69 31.245 19.713 22.888 1.00 16.49 H new ATOM 0 HG13 VAL A 69 30.907 19.446 21.364 1.00 16.49 H new ATOM 0 HG21 VAL A 69 31.994 21.959 20.238 1.00 17.50 H new ATOM 0 HG22 VAL A 69 30.574 21.406 19.806 1.00 17.50 H new ATOM 0 HG23 VAL A 69 30.710 22.877 20.376 1.00 17.50 H new ATOM 314 N ASP A 70 29.302 21.867 24.579 1.00 10.61 N ATOM 315 CA ASP A 70 29.114 21.555 25.996 1.00 10.01 C ATOM 316 C ASP A 70 27.651 21.222 26.261 1.00 10.02 C ATOM 317 O ASP A 70 27.338 20.219 26.892 1.00 11.91 O ATOM 318 CB ASP A 70 29.494 22.754 26.870 1.00 8.73 C ATOM 319 CG ASP A 70 30.983 22.838 27.148 1.00 9.15 C ATOM 320 OD1 ASP A 70 31.738 21.982 26.652 1.00 8.55 O ATOM 321 OD2 ASP A 70 31.393 23.769 27.873 1.00 14.18 O ATOM 0 H ASP A 70 29.547 22.677 24.425 1.00 10.61 H new ATOM 0 HA ASP A 70 29.681 20.799 26.214 1.00 10.01 H new ATOM 0 HB2 ASP A 70 29.205 23.570 26.433 1.00 8.73 H new ATOM 0 HB3 ASP A 70 29.016 22.698 27.712 1.00 8.73 H new ATOM 322 N ALA A 71 26.761 22.089 25.785 1.00 9.75 N ATOM 323 CA ALA A 71 25.326 21.916 25.977 1.00 10.35 C ATOM 324 C ALA A 71 24.839 20.574 25.441 1.00 9.68 C ATOM 325 O ALA A 71 24.041 19.892 26.088 1.00 11.49 O ATOM 326 CB ALA A 71 24.570 23.058 25.297 1.00 8.37 C ATOM 0 H ALA A 71 26.974 22.794 25.341 1.00 9.75 H new ATOM 0 HA ALA A 71 25.151 21.931 26.931 1.00 10.35 H new ATOM 0 HB1 ALA A 71 23.616 22.938 25.428 1.00 8.37 H new ATOM 0 HB2 ALA A 71 24.845 23.904 25.684 1.00 8.37 H new ATOM 0 HB3 ALA A 71 24.768 23.057 24.347 1.00 8.37 H new ATOM 327 N ALA A 72 25.316 20.198 24.258 1.00 9.38 N ATOM 328 CA ALA A 72 24.916 18.935 23.647 1.00 10.71 C ATOM 329 C ALA A 72 25.494 17.740 24.407 1.00 12.01 C ATOM 330 O ALA A 72 24.814 16.731 24.611 1.00 11.94 O ATOM 331 CB ALA A 72 25.362 18.900 22.182 1.00 10.30 C ATOM 0 H ALA A 72 25.872 20.660 23.793 1.00 9.38 H new ATOM 0 HA ALA A 72 23.949 18.872 23.689 1.00 10.71 H new ATOM 0 HB1 ALA A 72 25.093 18.058 21.782 1.00 10.30 H new ATOM 0 HB2 ALA A 72 24.949 19.633 21.700 1.00 10.30 H new ATOM 0 HB3 ALA A 72 26.327 18.986 22.135 1.00 10.30 H new ATOM 332 N ASN A 73 26.748 17.861 24.830 1.00 12.46 N ATOM 333 CA ASN A 73 27.417 16.795 25.569 1.00 12.65 C ATOM 334 C ASN A 73 26.654 16.556 26.877 1.00 12.88 C ATOM 335 O ASN A 73 26.419 15.413 27.278 1.00 11.07 O ATOM 336 CB ASN A 73 28.866 17.204 25.866 1.00 12.46 C ATOM 337 CG ASN A 73 29.775 16.015 26.151 1.00 13.54 C ATOM 338 OD1 ASN A 73 29.321 14.875 26.282 1.00 15.14 O ATOM 339 ND2 ASN A 73 31.071 16.282 26.252 1.00 12.56 N ATOM 0 H ASN A 73 27.233 18.559 24.698 1.00 12.46 H new ATOM 0 HA ASN A 73 27.429 15.979 25.045 1.00 12.65 H new ATOM 0 HB2 ASN A 73 29.218 17.700 25.110 1.00 12.46 H new ATOM 0 HB3 ASN A 73 28.878 17.803 26.629 1.00 12.46 H new ATOM 0 HD21 ASN A 73 31.629 15.648 26.415 1.00 12.56 H new ATOM 0 HD22 ASN A 73 31.353 17.089 26.155 1.00 12.56 H new ATOM 340 N LEU A 74 26.257 17.644 27.530 1.00 11.75 N ATOM 341 CA LEU A 74 25.519 17.554 28.785 1.00 9.94 C ATOM 342 C LEU A 74 24.148 16.915 28.588 1.00 10.62 C ATOM 343 O LEU A 74 23.732 16.076 29.380 1.00 11.19 O ATOM 344 CB LEU A 74 25.366 18.949 29.400 1.00 12.15 C ATOM 345 CG LEU A 74 26.657 19.564 29.951 1.00 11.00 C ATOM 346 CD1 LEU A 74 26.479 21.068 30.152 1.00 11.36 C ATOM 347 CD2 LEU A 74 27.021 18.879 31.270 1.00 13.43 C ATOM 0 H LEU A 74 26.406 18.447 27.261 1.00 11.75 H new ATOM 0 HA LEU A 74 26.024 16.987 29.388 1.00 9.94 H new ATOM 0 HB2 LEU A 74 25.002 19.545 28.727 1.00 12.15 H new ATOM 0 HB3 LEU A 74 24.716 18.901 30.118 1.00 12.15 H new ATOM 0 HG LEU A 74 27.378 19.428 29.317 1.00 11.00 H new ATOM 0 HD11 LEU A 74 27.301 21.448 30.501 1.00 11.36 H new ATOM 0 HD12 LEU A 74 26.265 21.485 29.303 1.00 11.36 H new ATOM 0 HD13 LEU A 74 25.758 21.228 30.780 1.00 11.36 H new ATOM 0 HD21 LEU A 74 27.838 19.266 31.621 1.00 13.43 H new ATOM 0 HD22 LEU A 74 26.303 19.005 31.910 1.00 13.43 H new ATOM 0 HD23 LEU A 74 27.153 17.930 31.116 1.00 13.43 H new ATOM 348 N ARG A 75 23.450 17.309 27.527 1.00 10.70 N ATOM 349 CA ARG A 75 22.129 16.760 27.241 1.00 12.24 C ATOM 350 C ARG A 75 22.191 15.242 27.075 1.00 11.13 C ATOM 351 O ARG A 75 21.385 14.511 27.653 1.00 11.75 O ATOM 352 CB ARG A 75 21.558 17.400 25.971 1.00 13.74 C ATOM 353 CG ARG A 75 20.126 16.978 25.641 1.00 15.72 C ATOM 354 CD ARG A 75 19.508 17.920 24.606 1.00 22.01 C ATOM 355 NE ARG A 75 18.109 17.604 24.317 1.00 20.38 N ATOM 356 CZ ARG A 75 17.691 16.970 23.226 1.00 25.27 C ATOM 357 NH1 ARG A 75 18.565 16.577 22.307 1.00 26.90 N ATOM 358 NH2 ARG A 75 16.397 16.738 23.047 1.00 25.00 N ATOM 0 H ARG A 75 23.724 17.894 26.960 1.00 10.70 H new ATOM 0 HA ARG A 75 21.548 16.962 27.991 1.00 12.24 H new ATOM 0 HB2 ARG A 75 21.585 18.365 26.068 1.00 13.74 H new ATOM 0 HB3 ARG A 75 22.131 17.174 25.222 1.00 13.74 H new ATOM 0 HG2 ARG A 75 20.122 16.070 25.301 1.00 15.72 H new ATOM 0 HG3 ARG A 75 19.589 16.981 26.449 1.00 15.72 H new ATOM 0 HD2 ARG A 75 19.569 18.833 24.928 1.00 22.01 H new ATOM 0 HD3 ARG A 75 20.022 17.874 23.785 1.00 22.01 H new ATOM 0 HE ARG A 75 17.517 17.845 24.892 1.00 20.38 H new ATOM 0 HH11 ARG A 75 19.404 16.732 22.417 1.00 26.90 H new ATOM 0 HH12 ARG A 75 18.292 16.167 21.602 1.00 26.90 H new ATOM 0 HH21 ARG A 75 15.828 16.998 23.637 1.00 25.00 H new ATOM 0 HH22 ARG A 75 16.127 16.328 22.341 1.00 25.00 H new ATOM 359 N GLU A 76 23.148 14.775 26.281 1.00 10.04 N ATOM 360 CA GLU A 76 23.315 13.344 26.043 1.00 10.99 C ATOM 361 C GLU A 76 23.749 12.599 27.303 1.00 9.96 C ATOM 362 O GLU A 76 23.231 11.527 27.613 1.00 9.97 O ATOM 363 CB GLU A 76 24.347 13.109 24.937 1.00 10.81 C ATOM 364 CG GLU A 76 24.640 11.631 24.674 1.00 13.24 C ATOM 365 CD GLU A 76 23.439 10.871 24.126 1.00 16.24 C ATOM 366 OE1 GLU A 76 23.497 9.622 24.078 1.00 16.09 O ATOM 367 OE2 GLU A 76 22.439 11.519 23.738 1.00 15.63 O ATOM 0 H GLU A 76 23.715 15.273 25.868 1.00 10.04 H new ATOM 0 HA GLU A 76 22.451 12.997 25.771 1.00 10.99 H new ATOM 0 HB2 GLU A 76 24.030 13.519 24.117 1.00 10.81 H new ATOM 0 HB3 GLU A 76 25.173 13.557 25.176 1.00 10.81 H new ATOM 0 HG2 GLU A 76 25.375 11.560 24.045 1.00 13.24 H new ATOM 0 HG3 GLU A 76 24.931 11.213 25.499 1.00 13.24 H new ATOM 368 N THR A 77 24.705 13.172 28.023 1.00 10.81 N ATOM 369 CA THR A 77 25.218 12.562 29.244 1.00 10.52 C ATOM 370 C THR A 77 24.124 12.365 30.292 1.00 11.27 C ATOM 371 O THR A 77 23.957 11.270 30.831 1.00 11.14 O ATOM 372 CB THR A 77 26.343 13.421 29.852 1.00 12.07 C ATOM 373 OG1 THR A 77 27.403 13.563 28.897 1.00 13.37 O ATOM 374 CG2 THR A 77 26.897 12.768 31.116 1.00 10.53 C ATOM 0 H THR A 77 25.074 13.922 27.820 1.00 10.81 H new ATOM 0 HA THR A 77 25.565 11.691 28.994 1.00 10.52 H new ATOM 0 HB THR A 77 25.978 14.290 30.080 1.00 12.07 H new ATOM 0 HG1 THR A 77 27.245 14.220 28.398 1.00 13.37 H new ATOM 0 HG21 THR A 77 27.603 13.322 31.484 1.00 10.53 H new ATOM 0 HG22 THR A 77 26.187 12.674 31.770 1.00 10.53 H new ATOM 0 HG23 THR A 77 27.254 11.893 30.898 1.00 10.53 H new ATOM 375 N PHE A 78 23.378 13.423 30.585 1.00 9.29 N ATOM 376 CA PHE A 78 22.319 13.321 31.577 1.00 8.98 C ATOM 377 C PHE A 78 21.091 12.569 31.074 1.00 9.33 C ATOM 378 O PHE A 78 20.309 12.054 31.871 1.00 11.35 O ATOM 379 CB PHE A 78 21.959 14.715 32.100 1.00 9.28 C ATOM 380 CG PHE A 78 22.932 15.229 33.133 1.00 9.67 C ATOM 381 CD1 PHE A 78 22.815 14.844 34.467 1.00 8.49 C ATOM 382 CD2 PHE A 78 24.002 16.040 32.761 1.00 9.36 C ATOM 383 CE1 PHE A 78 23.751 15.253 35.418 1.00 8.00 C ATOM 384 CE2 PHE A 78 24.949 16.458 33.704 1.00 9.56 C ATOM 385 CZ PHE A 78 24.824 16.063 35.035 1.00 8.58 C ATOM 0 H PHE A 78 23.467 14.199 30.226 1.00 9.29 H new ATOM 0 HA PHE A 78 22.661 12.787 32.311 1.00 8.98 H new ATOM 0 HB2 PHE A 78 21.928 15.336 31.355 1.00 9.28 H new ATOM 0 HB3 PHE A 78 21.069 14.690 32.486 1.00 9.28 H new ATOM 0 HD1 PHE A 78 22.102 14.306 34.728 1.00 8.49 H new ATOM 0 HD2 PHE A 78 24.088 16.307 31.874 1.00 9.36 H new ATOM 0 HE1 PHE A 78 23.661 14.987 36.305 1.00 8.00 H new ATOM 0 HE2 PHE A 78 25.660 16.998 33.443 1.00 9.56 H new ATOM 0 HZ PHE A 78 25.451 16.337 35.665 1.00 8.58 H new ATOM 386 N ARG A 79 20.918 12.500 29.757 1.00 9.98 N ATOM 387 CA ARG A 79 19.799 11.744 29.198 1.00 12.38 C ATOM 388 C ARG A 79 20.047 10.289 29.586 1.00 12.02 C ATOM 389 O ARG A 79 19.145 9.582 30.030 1.00 12.77 O ATOM 390 CB ARG A 79 19.776 11.848 27.669 1.00 10.52 C ATOM 391 CG ARG A 79 18.684 11.005 26.994 1.00 10.33 C ATOM 392 CD ARG A 79 18.755 11.127 25.472 1.00 8.34 C ATOM 393 NE ARG A 79 19.860 10.358 24.908 1.00 10.84 N ATOM 394 CZ ARG A 79 19.822 9.045 24.711 1.00 14.16 C ATOM 395 NH1 ARG A 79 18.729 8.358 25.024 1.00 12.72 N ATOM 396 NH2 ARG A 79 20.880 8.413 24.219 1.00 12.10 N ATOM 0 H ARG A 79 21.428 12.877 29.177 1.00 9.98 H new ATOM 0 HA ARG A 79 18.954 12.085 29.532 1.00 12.38 H new ATOM 0 HB2 ARG A 79 19.652 12.777 27.420 1.00 10.52 H new ATOM 0 HB3 ARG A 79 20.640 11.575 27.324 1.00 10.52 H new ATOM 0 HG2 ARG A 79 18.784 10.075 27.252 1.00 10.33 H new ATOM 0 HG3 ARG A 79 17.811 11.293 27.304 1.00 10.33 H new ATOM 0 HD2 ARG A 79 17.920 10.821 25.085 1.00 8.34 H new ATOM 0 HD3 ARG A 79 18.855 12.061 25.228 1.00 8.34 H new ATOM 0 HE ARG A 79 20.577 10.780 24.691 1.00 10.84 H new ATOM 0 HH11 ARG A 79 18.046 8.763 25.354 1.00 12.72 H new ATOM 0 HH12 ARG A 79 18.704 7.508 24.896 1.00 12.72 H new ATOM 0 HH21 ARG A 79 21.593 8.854 24.027 1.00 12.10 H new ATOM 0 HH22 ARG A 79 20.853 7.563 24.092 1.00 12.10 H new ATOM 397 N ASN A 80 21.292 9.858 29.408 1.00 14.01 N ATOM 398 CA ASN A 80 21.694 8.494 29.714 1.00 15.93 C ATOM 399 C ASN A 80 21.610 8.182 31.203 1.00 16.19 C ATOM 400 O ASN A 80 21.591 7.016 31.593 1.00 17.06 O ATOM 401 CB ASN A 80 23.109 8.238 29.184 1.00 18.44 C ATOM 402 CG ASN A 80 23.139 8.058 27.669 1.00 22.07 C ATOM 403 OD1 ASN A 80 22.015 7.638 27.103 1.00 25.20 O flip ATOM 404 ND2 ASN A 80 24.162 8.284 27.022 1.00 22.02 N flip ATOM 0 H ASN A 80 21.928 10.352 29.105 1.00 14.01 H new ATOM 0 HA ASN A 80 21.071 7.898 29.270 1.00 15.93 H new ATOM 0 HB2 ASN A 80 23.683 8.980 29.430 1.00 18.44 H new ATOM 0 HB3 ASN A 80 23.472 7.445 29.609 1.00 18.44 H new ATOM 0 HD21 ASN A 80 24.873 8.555 27.423 1.00 22.02 H new ATOM 0 HD22 ASN A 80 24.166 8.170 26.170 1.00 22.02 H new ATOM 405 N LEU A 81 21.556 9.223 32.031 1.00 16.16 N ATOM 406 CA LEU A 81 21.439 9.037 33.475 1.00 15.56 C ATOM 407 C LEU A 81 19.966 9.086 33.859 1.00 14.99 C ATOM 408 O LEU A 81 19.614 9.066 35.038 1.00 15.05 O ATOM 409 CB LEU A 81 22.217 10.118 34.228 1.00 16.01 C ATOM 410 CG LEU A 81 23.741 10.008 34.121 1.00 17.05 C ATOM 411 CD1 LEU A 81 24.410 11.111 34.924 1.00 16.04 C ATOM 412 CD2 LEU A 81 24.176 8.640 34.630 1.00 20.25 C ATOM 0 H LEU A 81 21.586 10.044 31.777 1.00 16.16 H new ATOM 0 HA LEU A 81 21.815 8.176 33.718 1.00 15.56 H new ATOM 0 HB2 LEU A 81 21.944 10.987 33.894 1.00 16.01 H new ATOM 0 HB3 LEU A 81 21.968 10.084 35.165 1.00 16.01 H new ATOM 0 HG LEU A 81 24.009 10.108 33.194 1.00 17.05 H new ATOM 0 HD11 LEU A 81 25.373 11.029 34.847 1.00 16.04 H new ATOM 0 HD12 LEU A 81 24.131 11.975 34.582 1.00 16.04 H new ATOM 0 HD13 LEU A 81 24.153 11.034 35.856 1.00 16.04 H new ATOM 0 HD21 LEU A 81 25.141 8.562 34.566 1.00 20.25 H new ATOM 0 HD22 LEU A 81 23.905 8.538 35.556 1.00 20.25 H new ATOM 0 HD23 LEU A 81 23.760 7.947 34.093 1.00 20.25 H new ATOM 413 N LYS A 82 19.116 9.156 32.836 1.00 12.91 N ATOM 414 CA LYS A 82 17.666 9.186 32.991 1.00 12.32 C ATOM 415 C LYS A 82 17.091 10.490 33.543 1.00 11.50 C ATOM 416 O LYS A 82 16.033 10.485 34.165 1.00 12.63 O ATOM 417 CB LYS A 82 17.198 8.010 33.860 1.00 11.97 C ATOM 418 CG LYS A 82 17.763 6.653 33.446 1.00 12.00 C ATOM 419 CD LYS A 82 17.479 6.327 31.984 1.00 15.65 C ATOM 420 CE LYS A 82 18.191 5.048 31.563 1.00 16.94 C ATOM 421 NZ LYS A 82 18.023 4.761 30.113 1.00 19.77 N ATOM 0 H LYS A 82 19.373 9.188 32.016 1.00 12.91 H new ATOM 0 HA LYS A 82 17.321 9.113 32.087 1.00 12.32 H new ATOM 0 HB2 LYS A 82 17.447 8.184 34.781 1.00 11.97 H new ATOM 0 HB3 LYS A 82 16.229 7.967 33.831 1.00 11.97 H new ATOM 0 HG2 LYS A 82 18.721 6.645 33.596 1.00 12.00 H new ATOM 0 HG3 LYS A 82 17.382 5.961 34.009 1.00 12.00 H new ATOM 0 HD2 LYS A 82 16.523 6.228 31.851 1.00 15.65 H new ATOM 0 HD3 LYS A 82 17.769 7.063 31.423 1.00 15.65 H new ATOM 0 HE2 LYS A 82 19.136 5.123 31.769 1.00 16.94 H new ATOM 0 HE3 LYS A 82 17.847 4.303 32.080 1.00 16.94 H new ATOM 0 HZ1 LYS A 82 18.476 4.025 29.901 1.00 19.77 H new ATOM 0 HZ2 LYS A 82 17.160 4.640 29.932 1.00 19.77 H new ATOM 0 HZ3 LYS A 82 18.333 5.446 29.637 1.00 19.77 H new ATOM 422 N TYR A 83 17.784 11.605 33.323 1.00 10.51 N ATOM 423 CA TYR A 83 17.275 12.896 33.781 1.00 9.74 C ATOM 424 C TYR A 83 16.376 13.502 32.710 1.00 10.75 C ATOM 425 O TYR A 83 16.507 13.182 31.530 1.00 9.57 O ATOM 426 CB TYR A 83 18.416 13.881 34.074 1.00 10.28 C ATOM 427 CG TYR A 83 19.021 13.708 35.444 1.00 11.13 C ATOM 428 CD1 TYR A 83 20.040 12.783 35.669 1.00 10.37 C ATOM 429 CD2 TYR A 83 18.529 14.427 36.535 1.00 9.72 C ATOM 430 CE1 TYR A 83 20.552 12.576 36.952 1.00 11.74 C ATOM 431 CE2 TYR A 83 19.032 14.226 37.819 1.00 9.11 C ATOM 432 CZ TYR A 83 20.043 13.298 38.020 1.00 12.06 C ATOM 433 OH TYR A 83 20.539 13.090 39.294 1.00 9.29 O ATOM 0 H TYR A 83 18.541 11.637 32.916 1.00 10.51 H new ATOM 0 HA TYR A 83 16.778 12.742 34.599 1.00 9.74 H new ATOM 0 HB2 TYR A 83 19.110 13.770 33.405 1.00 10.28 H new ATOM 0 HB3 TYR A 83 18.082 14.787 33.988 1.00 10.28 H new ATOM 0 HD1 TYR A 83 20.384 12.297 34.955 1.00 10.37 H new ATOM 0 HD2 TYR A 83 17.853 15.052 36.402 1.00 9.72 H new ATOM 0 HE1 TYR A 83 21.232 11.956 37.089 1.00 11.74 H new ATOM 0 HE2 TYR A 83 18.692 14.711 38.536 1.00 9.11 H new ATOM 0 HH TYR A 83 19.979 13.357 39.860 1.00 9.29 H new ATOM 434 N GLU A 84 15.461 14.369 33.135 1.00 11.00 N ATOM 435 CA GLU A 84 14.565 15.062 32.217 1.00 11.97 C ATOM 436 C GLU A 84 15.306 16.345 31.858 1.00 11.04 C ATOM 437 O GLU A 84 15.224 17.336 32.583 1.00 10.89 O ATOM 438 CB GLU A 84 13.250 15.402 32.920 1.00 13.59 C ATOM 439 CG GLU A 84 12.216 16.088 32.041 1.00 15.66 C ATOM 440 CD GLU A 84 10.974 16.490 32.822 1.00 17.74 C ATOM 441 OE1 GLU A 84 10.524 15.694 33.675 1.00 17.94 O ATOM 442 OE2 GLU A 84 10.445 17.597 32.583 1.00 16.22 O ATOM 0 H GLU A 84 15.343 14.571 33.963 1.00 11.00 H new ATOM 0 HA GLU A 84 14.346 14.526 31.439 1.00 11.97 H new ATOM 0 HB2 GLU A 84 12.865 14.584 33.272 1.00 13.59 H new ATOM 0 HB3 GLU A 84 13.442 15.975 33.679 1.00 13.59 H new ATOM 0 HG2 GLU A 84 12.610 16.876 31.635 1.00 15.66 H new ATOM 0 HG3 GLU A 84 11.963 15.493 31.318 1.00 15.66 H new ATOM 443 N VAL A 85 16.038 16.326 30.750 1.00 10.74 N ATOM 444 CA VAL A 85 16.814 17.494 30.343 1.00 9.41 C ATOM 445 C VAL A 85 16.004 18.567 29.628 1.00 11.50 C ATOM 446 O VAL A 85 15.260 18.285 28.688 1.00 12.00 O ATOM 447 CB VAL A 85 17.995 17.099 29.412 1.00 11.69 C ATOM 448 CG1 VAL A 85 18.802 18.344 29.037 1.00 9.65 C ATOM 449 CG2 VAL A 85 18.888 16.072 30.094 1.00 8.78 C ATOM 0 H VAL A 85 16.100 15.651 30.221 1.00 10.74 H new ATOM 0 HA VAL A 85 17.136 17.864 31.180 1.00 9.41 H new ATOM 0 HB VAL A 85 17.637 16.702 28.602 1.00 11.69 H new ATOM 0 HG11 VAL A 85 19.537 18.091 28.457 1.00 9.65 H new ATOM 0 HG12 VAL A 85 18.228 18.975 28.575 1.00 9.65 H new ATOM 0 HG13 VAL A 85 19.153 18.757 29.842 1.00 9.65 H new ATOM 0 HG21 VAL A 85 19.619 15.835 29.502 1.00 8.78 H new ATOM 0 HG22 VAL A 85 19.245 16.447 30.914 1.00 8.78 H new ATOM 0 HG23 VAL A 85 18.370 15.278 30.300 1.00 8.78 H new ATOM 450 N ARG A 86 16.157 19.803 30.086 1.00 11.17 N ATOM 451 CA ARG A 86 15.483 20.940 29.476 1.00 13.29 C ATOM 452 C ARG A 86 16.567 21.960 29.184 1.00 13.63 C ATOM 453 O ARG A 86 17.237 22.437 30.101 1.00 14.92 O ATOM 454 CB ARG A 86 14.453 21.550 30.428 1.00 13.34 C ATOM 455 CG ARG A 86 13.330 20.615 30.840 1.00 13.94 C ATOM 456 CD ARG A 86 12.286 21.369 31.643 1.00 12.90 C ATOM 457 NE ARG A 86 11.352 20.477 32.331 1.00 13.41 N ATOM 458 CZ ARG A 86 10.561 20.871 33.324 1.00 12.71 C ATOM 459 NH1 ARG A 86 10.594 22.134 33.733 1.00 13.03 N ATOM 460 NH2 ARG A 86 9.752 20.008 33.920 1.00 14.06 N ATOM 0 H ARG A 86 16.654 20.006 30.758 1.00 11.17 H new ATOM 0 HA ARG A 86 15.008 20.666 28.676 1.00 13.29 H new ATOM 0 HB2 ARG A 86 14.911 21.855 31.227 1.00 13.34 H new ATOM 0 HB3 ARG A 86 14.066 22.333 30.006 1.00 13.34 H new ATOM 0 HG2 ARG A 86 12.921 20.224 30.052 1.00 13.94 H new ATOM 0 HG3 ARG A 86 13.687 19.883 31.368 1.00 13.94 H new ATOM 0 HD2 ARG A 86 12.730 21.932 32.296 1.00 12.90 H new ATOM 0 HD3 ARG A 86 11.790 21.957 31.051 1.00 12.90 H new ATOM 0 HE ARG A 86 11.313 19.655 32.080 1.00 13.41 H new ATOM 0 HH11 ARG A 86 11.126 22.694 33.356 1.00 13.03 H new ATOM 0 HH12 ARG A 86 10.083 22.391 34.375 1.00 13.03 H new ATOM 0 HH21 ARG A 86 9.736 19.187 33.665 1.00 14.06 H new ATOM 0 HH22 ARG A 86 9.243 20.269 34.562 1.00 14.06 H new ATOM 461 N ASN A 87 16.758 22.283 27.910 1.00 14.31 N ATOM 462 CA ASN A 87 17.776 23.255 27.541 1.00 16.07 C ATOM 463 C ASN A 87 17.176 24.615 27.205 1.00 16.51 C ATOM 464 O ASN A 87 16.070 24.704 26.676 1.00 15.05 O ATOM 465 CB ASN A 87 18.581 22.761 26.336 1.00 18.40 C ATOM 466 CG ASN A 87 19.672 23.735 25.930 1.00 22.85 C ATOM 467 OD1 ASN A 87 20.723 23.812 26.571 1.00 24.28 O ATOM 468 ND2 ASN A 87 19.422 24.501 24.870 1.00 22.34 N ATOM 0 H ASN A 87 16.314 21.954 27.251 1.00 14.31 H new ATOM 0 HA ASN A 87 18.356 23.355 28.312 1.00 16.07 H new ATOM 0 HB2 ASN A 87 18.980 21.902 26.547 1.00 18.40 H new ATOM 0 HB3 ASN A 87 17.982 22.619 25.586 1.00 18.40 H new ATOM 0 HD21 ASN A 87 20.005 25.077 24.609 1.00 22.34 H new ATOM 0 HD22 ASN A 87 18.678 24.420 24.447 1.00 22.34 H new ATOM 469 N LYS A 88 17.920 25.668 27.529 1.00 14.79 N ATOM 470 CA LYS A 88 17.520 27.039 27.246 1.00 16.76 C ATOM 471 C LYS A 88 18.762 27.763 26.734 1.00 16.53 C ATOM 472 O LYS A 88 19.849 27.601 27.290 1.00 16.88 O ATOM 473 CB LYS A 88 17.004 27.733 28.510 1.00 16.12 C ATOM 474 CG LYS A 88 15.603 27.319 28.936 1.00 18.82 C ATOM 475 CD LYS A 88 14.551 27.825 27.955 1.00 22.16 C ATOM 476 CE LYS A 88 13.142 27.519 28.441 1.00 26.91 C ATOM 477 NZ LYS A 88 12.101 27.947 27.458 1.00 28.86 N ATOM 0 H LYS A 88 18.681 25.604 27.924 1.00 14.79 H new ATOM 0 HA LYS A 88 16.803 27.052 26.593 1.00 16.76 H new ATOM 0 HB2 LYS A 88 17.618 27.550 29.238 1.00 16.12 H new ATOM 0 HB3 LYS A 88 17.015 28.692 28.365 1.00 16.12 H new ATOM 0 HG2 LYS A 88 15.554 26.352 28.996 1.00 18.82 H new ATOM 0 HG3 LYS A 88 15.416 27.668 29.822 1.00 18.82 H new ATOM 0 HD2 LYS A 88 14.652 28.782 27.835 1.00 22.16 H new ATOM 0 HD3 LYS A 88 14.692 27.414 27.088 1.00 22.16 H new ATOM 0 HE2 LYS A 88 13.058 26.567 28.605 1.00 26.91 H new ATOM 0 HE3 LYS A 88 12.989 27.967 29.288 1.00 26.91 H new ATOM 0 HZ1 LYS A 88 11.293 27.752 27.777 1.00 28.86 H new ATOM 0 HZ2 LYS A 88 12.162 28.825 27.323 1.00 28.86 H new ATOM 0 HZ3 LYS A 88 12.226 27.520 26.687 1.00 28.86 H new ATOM 478 N ASN A 89 18.606 28.549 25.672 1.00 15.14 N ATOM 479 CA ASN A 89 19.734 29.281 25.103 1.00 15.08 C ATOM 480 C ASN A 89 19.570 30.787 25.213 1.00 15.10 C ATOM 481 O ASN A 89 18.457 31.313 25.117 1.00 13.20 O ATOM 482 CB ASN A 89 19.920 28.939 23.622 1.00 15.89 C ATOM 483 CG ASN A 89 20.167 27.470 23.383 1.00 17.35 C ATOM 484 OD1 ASN A 89 21.064 26.874 23.974 1.00 18.45 O ATOM 485 ND2 ASN A 89 19.373 26.876 22.498 1.00 20.14 N ATOM 0 H ASN A 89 17.857 28.672 25.267 1.00 15.14 H new ATOM 0 HA ASN A 89 20.509 29.009 25.619 1.00 15.08 H new ATOM 0 HB2 ASN A 89 19.130 29.213 23.130 1.00 15.89 H new ATOM 0 HB3 ASN A 89 20.666 29.449 23.269 1.00 15.89 H new ATOM 0 HD21 ASN A 89 19.477 26.041 22.319 1.00 20.14 H new ATOM 0 HD22 ASN A 89 18.755 27.326 22.104 1.00 20.14 H new ATOM 486 N ASP A 90 20.696 31.469 25.404 1.00 13.81 N ATOM 487 CA ASP A 90 20.735 32.926 25.488 1.00 14.27 C ATOM 488 C ASP A 90 19.605 33.552 26.304 1.00 15.24 C ATOM 489 O ASP A 90 18.722 34.214 25.753 1.00 14.44 O ATOM 490 CB ASP A 90 20.726 33.505 24.070 1.00 14.43 C ATOM 491 CG ASP A 90 21.899 33.017 23.231 1.00 16.05 C ATOM 492 OD1 ASP A 90 21.832 33.133 21.990 1.00 14.86 O ATOM 493 OD2 ASP A 90 22.894 32.525 23.807 1.00 13.53 O ATOM 0 H ASP A 90 21.466 31.095 25.489 1.00 13.81 H new ATOM 0 HA ASP A 90 21.551 33.148 25.963 1.00 14.27 H new ATOM 0 HB2 ASP A 90 19.896 33.263 23.631 1.00 14.43 H new ATOM 0 HB3 ASP A 90 20.749 34.473 24.120 1.00 14.43 H new ATOM 494 N LEU A 91 19.638 33.353 27.618 1.00 13.47 N ATOM 495 CA LEU A 91 18.613 33.913 28.493 1.00 12.63 C ATOM 496 C LEU A 91 19.080 35.191 29.175 1.00 13.08 C ATOM 497 O LEU A 91 20.204 35.265 29.665 1.00 12.25 O ATOM 498 CB LEU A 91 18.216 32.906 29.576 1.00 13.21 C ATOM 499 CG LEU A 91 17.614 31.573 29.136 1.00 14.11 C ATOM 500 CD1 LEU A 91 17.118 30.827 30.374 1.00 12.15 C ATOM 501 CD2 LEU A 91 16.469 31.810 28.164 1.00 13.30 C ATOM 0 H LEU A 91 20.245 32.897 28.023 1.00 13.47 H new ATOM 0 HA LEU A 91 17.851 34.118 27.928 1.00 12.63 H new ATOM 0 HB2 LEU A 91 19.005 32.714 30.106 1.00 13.21 H new ATOM 0 HB3 LEU A 91 17.578 33.340 30.164 1.00 13.21 H new ATOM 0 HG LEU A 91 18.287 31.041 28.684 1.00 14.11 H new ATOM 0 HD11 LEU A 91 16.733 29.978 30.108 1.00 12.15 H new ATOM 0 HD12 LEU A 91 17.862 30.670 30.977 1.00 12.15 H new ATOM 0 HD13 LEU A 91 16.444 31.360 30.825 1.00 12.15 H new ATOM 0 HD21 LEU A 91 16.094 30.958 27.891 1.00 13.30 H new ATOM 0 HD22 LEU A 91 15.782 32.341 28.596 1.00 13.30 H new ATOM 0 HD23 LEU A 91 16.799 32.282 27.384 1.00 13.30 H new ATOM 502 N THR A 92 18.211 36.196 29.209 1.00 13.04 N ATOM 503 CA THR A 92 18.542 37.450 29.869 1.00 13.38 C ATOM 504 C THR A 92 18.567 37.171 31.366 1.00 13.57 C ATOM 505 O THR A 92 18.157 36.097 31.810 1.00 13.19 O ATOM 506 CB THR A 92 17.475 38.523 29.615 1.00 13.59 C ATOM 507 OG1 THR A 92 16.217 38.064 30.128 1.00 12.82 O ATOM 508 CG2 THR A 92 17.344 38.806 28.129 1.00 10.54 C ATOM 0 H THR A 92 17.427 36.171 28.857 1.00 13.04 H new ATOM 0 HA THR A 92 19.391 37.774 29.528 1.00 13.38 H new ATOM 0 HB THR A 92 17.739 39.342 30.063 1.00 13.59 H new ATOM 0 HG1 THR A 92 15.596 38.529 29.805 1.00 12.82 H new ATOM 0 HG21 THR A 92 16.666 39.485 27.987 1.00 10.54 H new ATOM 0 HG22 THR A 92 18.194 39.121 27.783 1.00 10.54 H new ATOM 0 HG23 THR A 92 17.088 37.993 27.666 1.00 10.54 H new ATOM 509 N ARG A 93 19.037 38.136 32.143 1.00 14.26 N ATOM 510 CA ARG A 93 19.081 37.964 33.585 1.00 15.59 C ATOM 511 C ARG A 93 17.660 37.744 34.111 1.00 14.57 C ATOM 512 O ARG A 93 17.449 36.944 35.022 1.00 12.28 O ATOM 513 CB ARG A 93 19.720 39.192 34.240 1.00 16.40 C ATOM 514 CG ARG A 93 18.976 40.486 33.981 1.00 22.98 C ATOM 515 CD ARG A 93 19.794 41.696 34.393 1.00 25.45 C ATOM 516 NE ARG A 93 20.293 41.585 35.760 1.00 30.31 N ATOM 517 CZ ARG A 93 20.856 42.586 36.426 1.00 32.38 C ATOM 518 NH1 ARG A 93 20.986 43.773 35.846 1.00 34.01 N ATOM 519 NH2 ARG A 93 21.294 42.403 37.666 1.00 32.26 N ATOM 0 H ARG A 93 19.333 38.892 31.858 1.00 14.26 H new ATOM 0 HA ARG A 93 19.621 37.189 33.806 1.00 15.59 H new ATOM 0 HB2 ARG A 93 19.772 39.046 35.198 1.00 16.40 H new ATOM 0 HB3 ARG A 93 20.630 39.283 33.917 1.00 16.40 H new ATOM 0 HG2 ARG A 93 18.756 40.550 33.039 1.00 22.98 H new ATOM 0 HG3 ARG A 93 18.138 40.481 34.469 1.00 22.98 H new ATOM 0 HD2 ARG A 93 20.542 41.801 33.785 1.00 25.45 H new ATOM 0 HD3 ARG A 93 19.250 42.495 34.313 1.00 25.45 H new ATOM 0 HE ARG A 93 20.218 40.826 36.158 1.00 30.31 H new ATOM 0 HH11 ARG A 93 20.706 43.891 35.042 1.00 34.01 H new ATOM 0 HH12 ARG A 93 21.350 44.423 36.275 1.00 34.01 H new ATOM 0 HH21 ARG A 93 21.214 41.633 38.041 1.00 32.26 H new ATOM 0 HH22 ARG A 93 21.658 43.054 38.094 1.00 32.26 H new ATOM 520 N GLU A 94 16.685 38.440 33.526 1.00 14.20 N ATOM 521 CA GLU A 94 15.292 38.293 33.953 1.00 13.89 C ATOM 522 C GLU A 94 14.752 36.888 33.667 1.00 14.78 C ATOM 523 O GLU A 94 14.048 36.303 34.493 1.00 13.29 O ATOM 524 CB GLU A 94 14.385 39.313 33.248 1.00 13.55 C ATOM 525 CG GLU A 94 14.648 40.779 33.587 1.00 16.74 C ATOM 526 CD GLU A 94 15.914 41.312 32.951 1.00 18.15 C ATOM 527 OE1 GLU A 94 16.308 40.793 31.888 1.00 16.84 O ATOM 528 OE2 GLU A 94 16.505 42.262 33.504 1.00 22.67 O ATOM 0 H GLU A 94 16.807 38.999 32.884 1.00 14.20 H new ATOM 0 HA GLU A 94 15.283 38.449 34.910 1.00 13.89 H new ATOM 0 HB2 GLU A 94 14.480 39.198 32.290 1.00 13.55 H new ATOM 0 HB3 GLU A 94 13.463 39.108 33.468 1.00 13.55 H new ATOM 0 HG2 GLU A 94 13.894 41.314 33.294 1.00 16.74 H new ATOM 0 HG3 GLU A 94 14.709 40.878 34.550 1.00 16.74 H new ATOM 529 N GLU A 95 15.068 36.358 32.489 1.00 14.05 N ATOM 530 CA GLU A 95 14.599 35.030 32.102 1.00 14.07 C ATOM 531 C GLU A 95 15.243 33.931 32.942 1.00 14.16 C ATOM 532 O GLU A 95 14.626 32.895 33.200 1.00 13.95 O ATOM 533 CB GLU A 95 14.872 34.791 30.613 1.00 14.28 C ATOM 534 CG GLU A 95 14.153 35.787 29.710 1.00 17.69 C ATOM 535 CD GLU A 95 14.575 35.679 28.258 1.00 19.24 C ATOM 536 OE1 GLU A 95 15.795 35.608 27.997 1.00 19.39 O ATOM 537 OE2 GLU A 95 13.689 35.679 27.380 1.00 23.25 O ATOM 0 H GLU A 95 15.554 36.751 31.898 1.00 14.05 H new ATOM 0 HA GLU A 95 13.643 34.996 32.264 1.00 14.07 H new ATOM 0 HB2 GLU A 95 15.827 34.846 30.451 1.00 14.28 H new ATOM 0 HB3 GLU A 95 14.596 33.891 30.379 1.00 14.28 H new ATOM 0 HG2 GLU A 95 13.196 35.643 29.775 1.00 17.69 H new ATOM 0 HG3 GLU A 95 14.327 36.687 30.026 1.00 17.69 H new ATOM 538 N ILE A 96 16.481 34.155 33.370 1.00 14.81 N ATOM 539 CA ILE A 96 17.170 33.175 34.199 1.00 13.32 C ATOM 540 C ILE A 96 16.430 33.058 35.527 1.00 13.64 C ATOM 541 O ILE A 96 16.131 31.961 35.983 1.00 12.33 O ATOM 542 CB ILE A 96 18.630 33.590 34.473 1.00 13.76 C ATOM 543 CG1 ILE A 96 19.454 33.447 33.194 1.00 13.40 C ATOM 544 CG2 ILE A 96 19.217 32.734 35.597 1.00 11.76 C ATOM 545 CD1 ILE A 96 20.883 33.929 33.330 1.00 16.30 C ATOM 0 H ILE A 96 16.936 34.863 33.193 1.00 14.81 H new ATOM 0 HA ILE A 96 17.181 32.327 33.729 1.00 13.32 H new ATOM 0 HB ILE A 96 18.654 34.518 34.755 1.00 13.76 H new ATOM 0 HG12 ILE A 96 19.460 32.515 32.926 1.00 13.40 H new ATOM 0 HG13 ILE A 96 19.020 33.944 32.483 1.00 13.40 H new ATOM 0 HG21 ILE A 96 20.135 33.002 35.762 1.00 11.76 H new ATOM 0 HG22 ILE A 96 18.694 32.857 36.405 1.00 11.76 H new ATOM 0 HG23 ILE A 96 19.195 31.800 35.338 1.00 11.76 H new ATOM 0 HD11 ILE A 96 21.347 33.810 32.486 1.00 16.30 H new ATOM 0 HD12 ILE A 96 20.886 34.869 33.571 1.00 16.30 H new ATOM 0 HD13 ILE A 96 21.333 33.417 34.020 1.00 16.30 H new ATOM 546 N VAL A 97 16.129 34.200 36.134 1.00 13.23 N ATOM 547 CA VAL A 97 15.424 34.225 37.406 1.00 14.38 C ATOM 548 C VAL A 97 14.013 33.653 37.284 1.00 14.88 C ATOM 549 O VAL A 97 13.566 32.899 38.149 1.00 14.28 O ATOM 550 CB VAL A 97 15.342 35.668 37.958 1.00 15.71 C ATOM 551 CG1 VAL A 97 14.474 35.705 39.208 1.00 15.49 C ATOM 552 CG2 VAL A 97 16.750 36.177 38.275 1.00 15.05 C ATOM 0 H VAL A 97 16.327 34.977 35.822 1.00 13.23 H new ATOM 0 HA VAL A 97 15.929 33.669 38.020 1.00 14.38 H new ATOM 0 HB VAL A 97 14.940 36.243 37.288 1.00 15.71 H new ATOM 0 HG11 VAL A 97 14.430 36.614 39.545 1.00 15.49 H new ATOM 0 HG12 VAL A 97 13.580 35.397 38.991 1.00 15.49 H new ATOM 0 HG13 VAL A 97 14.858 35.128 39.886 1.00 15.49 H new ATOM 0 HG21 VAL A 97 16.697 37.082 38.621 1.00 15.05 H new ATOM 0 HG22 VAL A 97 17.161 35.601 38.939 1.00 15.05 H new ATOM 0 HG23 VAL A 97 17.286 36.171 37.467 1.00 15.05 H new ATOM 553 N GLU A 98 13.315 34.017 36.212 1.00 15.20 N ATOM 554 CA GLU A 98 11.955 33.539 35.980 1.00 15.67 C ATOM 555 C GLU A 98 11.950 32.025 35.785 1.00 15.64 C ATOM 556 O GLU A 98 11.101 31.319 36.332 1.00 14.20 O ATOM 557 CB GLU A 98 11.367 34.211 34.738 1.00 19.84 C ATOM 558 CG GLU A 98 9.901 33.894 34.494 1.00 25.75 C ATOM 559 CD GLU A 98 9.457 34.230 33.081 1.00 30.36 C ATOM 560 OE1 GLU A 98 8.235 34.355 32.858 1.00 32.33 O ATOM 561 OE2 GLU A 98 10.328 34.355 32.189 1.00 32.03 O ATOM 0 H GLU A 98 13.614 34.545 35.602 1.00 15.20 H new ATOM 0 HA GLU A 98 11.416 33.762 36.755 1.00 15.67 H new ATOM 0 HB2 GLU A 98 11.470 35.172 34.823 1.00 19.84 H new ATOM 0 HB3 GLU A 98 11.880 33.938 33.961 1.00 19.84 H new ATOM 0 HG2 GLU A 98 9.745 32.952 34.663 1.00 25.75 H new ATOM 0 HG3 GLU A 98 9.357 34.389 35.126 1.00 25.75 H new ATOM 562 N LEU A 99 12.900 31.536 34.993 1.00 13.52 N ATOM 563 CA LEU A 99 13.019 30.109 34.726 1.00 14.30 C ATOM 564 C LEU A 99 13.262 29.333 36.020 1.00 14.42 C ATOM 565 O LEU A 99 12.573 28.354 36.302 1.00 15.74 O ATOM 566 CB LEU A 99 14.169 29.853 33.745 1.00 13.34 C ATOM 567 CG LEU A 99 14.550 28.392 33.491 1.00 9.88 C ATOM 568 CD1 LEU A 99 13.393 27.668 32.827 1.00 11.84 C ATOM 569 CD2 LEU A 99 15.800 28.330 32.617 1.00 11.80 C ATOM 0 H LEU A 99 13.490 32.021 34.598 1.00 13.52 H new ATOM 0 HA LEU A 99 12.187 29.802 34.334 1.00 14.30 H new ATOM 0 HB2 LEU A 99 13.936 30.256 32.894 1.00 13.34 H new ATOM 0 HB3 LEU A 99 14.955 30.317 34.073 1.00 13.34 H new ATOM 0 HG LEU A 99 14.742 27.955 34.335 1.00 9.88 H new ATOM 0 HD11 LEU A 99 13.638 26.743 32.668 1.00 11.84 H new ATOM 0 HD12 LEU A 99 12.615 27.701 33.406 1.00 11.84 H new ATOM 0 HD13 LEU A 99 13.185 28.097 31.982 1.00 11.84 H new ATOM 0 HD21 LEU A 99 16.038 27.403 32.458 1.00 11.80 H new ATOM 0 HD22 LEU A 99 15.625 28.768 31.770 1.00 11.80 H new ATOM 0 HD23 LEU A 99 16.532 28.779 33.067 1.00 11.80 H new ATOM 570 N MET A 100 14.237 29.779 36.808 1.00 14.87 N ATOM 571 CA MET A 100 14.569 29.120 38.069 1.00 16.10 C ATOM 572 C MET A 100 13.409 29.155 39.062 1.00 16.10 C ATOM 573 O MET A 100 13.128 28.165 39.737 1.00 16.72 O ATOM 574 CB MET A 100 15.805 29.771 38.694 1.00 19.45 C ATOM 575 CG MET A 100 17.086 29.529 37.917 1.00 21.80 C ATOM 576 SD MET A 100 17.463 27.770 37.767 1.00 27.00 S ATOM 577 CE MET A 100 17.016 27.481 36.109 1.00 18.35 C ATOM 0 H MET A 100 14.721 30.467 36.629 1.00 14.87 H new ATOM 0 HA MET A 100 14.754 28.190 37.867 1.00 16.10 H new ATOM 0 HB2 MET A 100 15.656 30.727 38.765 1.00 19.45 H new ATOM 0 HB3 MET A 100 15.916 29.434 39.597 1.00 19.45 H new ATOM 0 HG2 MET A 100 17.005 29.918 37.032 1.00 21.80 H new ATOM 0 HG3 MET A 100 17.822 29.980 38.359 1.00 21.80 H new ATOM 0 HE1 MET A 100 16.294 26.834 36.076 1.00 18.35 H new ATOM 0 HE2 MET A 100 16.724 28.312 35.703 1.00 18.35 H new ATOM 0 HE3 MET A 100 17.781 27.136 35.623 1.00 18.35 H new ATOM 578 N ARG A 101 12.742 30.298 39.157 1.00 15.69 N ATOM 579 CA ARG A 101 11.604 30.430 40.061 1.00 15.84 C ATOM 580 C ARG A 101 10.503 29.454 39.634 1.00 14.56 C ATOM 581 O ARG A 101 9.953 28.720 40.458 1.00 13.92 O ATOM 582 CB ARG A 101 11.089 31.871 40.033 1.00 18.97 C ATOM 583 CG ARG A 101 9.846 32.138 40.872 1.00 22.23 C ATOM 584 CD ARG A 101 9.622 33.641 40.994 1.00 26.92 C ATOM 585 NE ARG A 101 9.773 34.309 39.703 1.00 31.48 N ATOM 586 CZ ARG A 101 10.411 35.462 39.524 1.00 32.40 C ATOM 587 NH1 ARG A 101 10.966 36.086 40.556 1.00 32.78 N ATOM 588 NH2 ARG A 101 10.506 35.990 38.310 1.00 33.03 N ATOM 0 H ARG A 101 12.930 31.008 38.709 1.00 15.69 H new ATOM 0 HA ARG A 101 11.876 30.218 40.968 1.00 15.84 H new ATOM 0 HB2 ARG A 101 11.799 32.458 40.338 1.00 18.97 H new ATOM 0 HB3 ARG A 101 10.897 32.112 39.113 1.00 18.97 H new ATOM 0 HG2 ARG A 101 9.073 31.719 40.463 1.00 22.23 H new ATOM 0 HG3 ARG A 101 9.949 31.745 41.753 1.00 22.23 H new ATOM 0 HD2 ARG A 101 8.734 33.810 41.346 1.00 26.92 H new ATOM 0 HD3 ARG A 101 10.254 34.013 41.629 1.00 26.92 H new ATOM 0 HE ARG A 101 9.426 33.931 39.013 1.00 31.48 H new ATOM 0 HH11 ARG A 101 10.914 35.745 41.344 1.00 32.78 H new ATOM 0 HH12 ARG A 101 11.378 36.831 40.437 1.00 32.78 H new ATOM 0 HH21 ARG A 101 10.154 35.586 37.637 1.00 33.03 H new ATOM 0 HH22 ARG A 101 10.919 36.736 38.197 1.00 33.03 H new ATOM 589 N ASP A 102 10.197 29.431 38.341 1.00 13.99 N ATOM 590 CA ASP A 102 9.162 28.540 37.822 1.00 13.93 C ATOM 591 C ASP A 102 9.481 27.069 38.100 1.00 14.45 C ATOM 592 O ASP A 102 8.620 26.310 38.547 1.00 13.15 O ATOM 593 CB ASP A 102 8.985 28.753 36.316 1.00 14.81 C ATOM 594 CG ASP A 102 8.292 30.065 35.987 1.00 17.97 C ATOM 595 OD1 ASP A 102 8.180 30.395 34.787 1.00 17.73 O ATOM 596 OD2 ASP A 102 7.855 30.765 36.922 1.00 18.82 O ATOM 0 H ASP A 102 10.576 29.923 37.746 1.00 13.99 H new ATOM 0 HA ASP A 102 8.337 28.758 38.282 1.00 13.93 H new ATOM 0 HB2 ASP A 102 9.854 28.734 35.886 1.00 14.81 H new ATOM 0 HB3 ASP A 102 8.470 28.018 35.947 1.00 14.81 H new ATOM 597 N VAL A 103 10.719 26.671 37.836 1.00 13.39 N ATOM 598 CA VAL A 103 11.136 25.294 38.061 1.00 13.94 C ATOM 599 C VAL A 103 11.060 24.920 39.543 1.00 14.75 C ATOM 600 O VAL A 103 10.646 23.814 39.885 1.00 15.03 O ATOM 601 CB VAL A 103 12.572 25.065 37.542 1.00 13.32 C ATOM 602 CG1 VAL A 103 13.061 23.682 37.941 1.00 13.83 C ATOM 603 CG2 VAL A 103 12.596 25.217 36.020 1.00 12.94 C ATOM 0 H VAL A 103 11.335 27.185 37.525 1.00 13.39 H new ATOM 0 HA VAL A 103 10.524 24.725 37.569 1.00 13.94 H new ATOM 0 HB VAL A 103 13.163 25.725 37.937 1.00 13.32 H new ATOM 0 HG11 VAL A 103 13.963 23.550 37.610 1.00 13.83 H new ATOM 0 HG12 VAL A 103 13.057 23.604 38.908 1.00 13.83 H new ATOM 0 HG13 VAL A 103 12.475 23.009 37.560 1.00 13.83 H new ATOM 0 HG21 VAL A 103 13.498 25.073 35.694 1.00 12.94 H new ATOM 0 HG22 VAL A 103 12.000 24.564 35.620 1.00 12.94 H new ATOM 0 HG23 VAL A 103 12.305 26.110 35.779 1.00 12.94 H new ATOM 604 N SER A 104 11.437 25.848 40.418 1.00 15.04 N ATOM 605 CA SER A 104 11.406 25.592 41.856 1.00 14.68 C ATOM 606 C SER A 104 9.978 25.459 42.385 1.00 15.99 C ATOM 607 O SER A 104 9.758 24.892 43.458 1.00 15.86 O ATOM 608 CB SER A 104 12.127 26.710 42.621 1.00 14.44 C ATOM 609 OG SER A 104 11.380 27.917 42.612 1.00 15.20 O ATOM 0 H SER A 104 11.714 26.632 40.200 1.00 15.04 H new ATOM 0 HA SER A 104 11.863 24.749 42.000 1.00 14.68 H new ATOM 0 HB2 SER A 104 12.279 26.430 43.537 1.00 14.44 H new ATOM 0 HB3 SER A 104 12.998 26.865 42.223 1.00 14.44 H new ATOM 0 HG SER A 104 11.003 28.008 41.867 1.00 15.20 H new ATOM 610 N LYS A 105 9.011 25.982 41.637 1.00 15.76 N ATOM 611 CA LYS A 105 7.616 25.907 42.053 1.00 17.59 C ATOM 612 C LYS A 105 6.886 24.696 41.481 1.00 17.53 C ATOM 613 O LYS A 105 5.677 24.538 41.668 1.00 17.77 O ATOM 614 CB LYS A 105 6.883 27.198 41.680 1.00 18.85 C ATOM 615 CG LYS A 105 7.341 28.397 42.491 1.00 22.45 C ATOM 616 CD LYS A 105 6.569 29.653 42.135 1.00 26.72 C ATOM 617 CE LYS A 105 7.017 30.828 42.991 1.00 30.01 C ATOM 618 NZ LYS A 105 6.333 32.097 42.604 1.00 33.88 N ATOM 0 H LYS A 105 9.142 26.383 40.888 1.00 15.76 H new ATOM 0 HA LYS A 105 7.616 25.799 43.017 1.00 17.59 H new ATOM 0 HB2 LYS A 105 7.020 27.381 40.737 1.00 18.85 H new ATOM 0 HB3 LYS A 105 5.930 27.072 41.809 1.00 18.85 H new ATOM 0 HG2 LYS A 105 7.231 28.208 43.436 1.00 22.45 H new ATOM 0 HG3 LYS A 105 8.287 28.546 42.340 1.00 22.45 H new ATOM 0 HD2 LYS A 105 6.701 29.863 41.197 1.00 26.72 H new ATOM 0 HD3 LYS A 105 5.619 29.500 42.261 1.00 26.72 H new ATOM 0 HE2 LYS A 105 6.835 30.635 43.924 1.00 30.01 H new ATOM 0 HE3 LYS A 105 7.977 30.941 42.907 1.00 30.01 H new ATOM 0 HZ1 LYS A 105 6.619 32.760 43.125 1.00 33.88 H new ATOM 0 HZ2 LYS A 105 6.518 32.287 41.754 1.00 33.88 H new ATOM 0 HZ3 LYS A 105 5.453 32.002 42.702 1.00 33.88 H new ATOM 619 N GLU A 106 7.617 23.844 40.772 1.00 15.66 N ATOM 620 CA GLU A 106 7.025 22.631 40.227 1.00 15.41 C ATOM 621 C GLU A 106 6.962 21.627 41.373 1.00 14.72 C ATOM 622 O GLU A 106 7.609 21.819 42.402 1.00 11.55 O ATOM 623 CB GLU A 106 7.890 22.063 39.098 1.00 16.21 C ATOM 624 CG GLU A 106 7.629 22.688 37.740 1.00 17.26 C ATOM 625 CD GLU A 106 8.519 22.114 36.655 1.00 18.55 C ATOM 626 OE1 GLU A 106 8.861 20.913 36.728 1.00 17.78 O ATOM 627 OE2 GLU A 106 8.867 22.863 35.722 1.00 21.22 O ATOM 0 H GLU A 106 8.452 23.949 40.596 1.00 15.66 H new ATOM 0 HA GLU A 106 6.146 22.816 39.860 1.00 15.41 H new ATOM 0 HB2 GLU A 106 8.825 22.188 39.326 1.00 16.21 H new ATOM 0 HB3 GLU A 106 7.738 21.107 39.037 1.00 16.21 H new ATOM 0 HG2 GLU A 106 6.700 22.551 37.498 1.00 17.26 H new ATOM 0 HG3 GLU A 106 7.770 23.646 37.796 1.00 17.26 H new ATOM 628 N ASP A 107 6.176 20.569 41.199 1.00 14.77 N ATOM 629 CA ASP A 107 6.060 19.537 42.220 1.00 14.89 C ATOM 630 C ASP A 107 7.116 18.479 41.925 1.00 12.77 C ATOM 631 O ASP A 107 6.970 17.691 40.992 1.00 13.30 O ATOM 632 CB ASP A 107 4.673 18.894 42.182 1.00 18.94 C ATOM 633 CG ASP A 107 4.417 17.996 43.373 1.00 21.54 C ATOM 634 OD1 ASP A 107 5.397 17.501 43.973 1.00 19.24 O ATOM 635 OD2 ASP A 107 3.234 17.776 43.704 1.00 23.52 O ATOM 0 H ASP A 107 5.701 20.431 40.495 1.00 14.77 H new ATOM 0 HA ASP A 107 6.188 19.926 43.099 1.00 14.89 H new ATOM 0 HB2 ASP A 107 3.998 19.590 42.155 1.00 18.94 H new ATOM 0 HB3 ASP A 107 4.581 18.378 41.366 1.00 18.94 H new ATOM 636 N HIS A 108 8.178 18.469 42.721 1.00 12.65 N ATOM 637 CA HIS A 108 9.276 17.523 42.541 1.00 11.73 C ATOM 638 C HIS A 108 9.106 16.273 43.410 1.00 12.55 C ATOM 639 O HIS A 108 10.045 15.495 43.570 1.00 10.25 O ATOM 640 CB HIS A 108 10.602 18.204 42.898 1.00 13.51 C ATOM 641 CG HIS A 108 10.929 19.392 42.045 1.00 12.84 C ATOM 642 ND1 HIS A 108 11.689 19.300 40.899 1.00 13.49 N ATOM 643 CD2 HIS A 108 10.601 20.700 42.173 1.00 13.94 C ATOM 644 CE1 HIS A 108 11.816 20.500 40.359 1.00 15.12 C ATOM 645 NE2 HIS A 108 11.165 21.367 41.114 1.00 13.39 N ATOM 0 H HIS A 108 8.284 19.010 43.381 1.00 12.65 H new ATOM 0 HA HIS A 108 9.274 17.245 41.612 1.00 11.73 H new ATOM 0 HB2 HIS A 108 10.571 18.483 43.826 1.00 13.51 H new ATOM 0 HB3 HIS A 108 11.319 17.555 42.820 1.00 13.51 H new ATOM 0 HD2 HIS A 108 10.089 21.076 42.852 1.00 13.94 H new ATOM 0 HE1 HIS A 108 12.284 20.700 39.580 1.00 15.12 H new ATOM 0 HE2 HIS A 108 11.104 22.212 40.966 1.00 13.39 H new ATOM 646 N SER A 109 7.912 16.079 43.962 1.00 12.54 N ATOM 647 CA SER A 109 7.643 14.933 44.834 1.00 15.99 C ATOM 648 C SER A 109 8.121 13.570 44.338 1.00 17.04 C ATOM 649 O SER A 109 8.659 12.782 45.114 1.00 18.44 O ATOM 650 CB SER A 109 6.147 14.843 45.144 1.00 17.75 C ATOM 651 OG SER A 109 5.744 15.914 45.974 1.00 19.99 O ATOM 0 H SER A 109 7.239 16.601 43.845 1.00 12.54 H new ATOM 0 HA SER A 109 8.173 15.119 45.625 1.00 15.99 H new ATOM 0 HB2 SER A 109 5.639 14.859 44.318 1.00 17.75 H new ATOM 0 HB3 SER A 109 5.952 13.999 45.580 1.00 17.75 H new ATOM 0 HG SER A 109 5.466 16.548 45.498 1.00 19.99 H new ATOM 652 N LYS A 110 7.924 13.288 43.054 1.00 16.92 N ATOM 653 CA LYS A 110 8.325 11.999 42.500 1.00 17.26 C ATOM 654 C LYS A 110 9.718 11.998 41.875 1.00 15.74 C ATOM 655 O LYS A 110 10.094 11.048 41.188 1.00 14.65 O ATOM 656 CB LYS A 110 7.301 11.543 41.460 1.00 19.74 C ATOM 657 CG LYS A 110 5.899 11.363 42.014 1.00 25.48 C ATOM 658 CD LYS A 110 4.963 10.818 40.948 1.00 29.58 C ATOM 659 CE LYS A 110 3.571 10.566 41.505 1.00 32.93 C ATOM 660 NZ LYS A 110 2.664 10.001 40.464 1.00 35.52 N ATOM 0 H LYS A 110 7.562 13.826 42.489 1.00 16.92 H new ATOM 0 HA LYS A 110 8.359 11.383 43.248 1.00 17.26 H new ATOM 0 HB2 LYS A 110 7.274 12.192 40.740 1.00 19.74 H new ATOM 0 HB3 LYS A 110 7.597 10.704 41.074 1.00 19.74 H new ATOM 0 HG2 LYS A 110 5.921 10.757 42.771 1.00 25.48 H new ATOM 0 HG3 LYS A 110 5.564 12.213 42.340 1.00 25.48 H new ATOM 0 HD2 LYS A 110 4.909 11.446 40.211 1.00 29.58 H new ATOM 0 HD3 LYS A 110 5.324 9.992 40.590 1.00 29.58 H new ATOM 0 HE2 LYS A 110 3.627 9.954 42.255 1.00 32.93 H new ATOM 0 HE3 LYS A 110 3.201 11.396 41.843 1.00 32.93 H new ATOM 0 HZ1 LYS A 110 1.858 9.863 40.815 1.00 35.52 H new ATOM 0 HZ2 LYS A 110 2.598 10.573 39.785 1.00 35.52 H new ATOM 0 HZ3 LYS A 110 2.995 9.229 40.169 1.00 35.52 H new ATOM 661 N ARG A 111 10.481 13.058 42.126 1.00 14.59 N ATOM 662 CA ARG A 111 11.828 13.185 41.584 1.00 12.91 C ATOM 663 C ARG A 111 12.882 12.971 42.673 1.00 12.43 C ATOM 664 O ARG A 111 12.729 13.456 43.793 1.00 11.38 O ATOM 665 CB ARG A 111 11.975 14.566 40.940 1.00 12.02 C ATOM 666 CG ARG A 111 11.017 14.763 39.766 1.00 11.41 C ATOM 667 CD ARG A 111 10.893 16.219 39.361 1.00 11.57 C ATOM 668 NE ARG A 111 9.934 16.391 38.270 1.00 12.30 N ATOM 669 CZ ARG A 111 9.464 17.566 37.866 1.00 13.93 C ATOM 670 NH1 ARG A 111 9.861 18.682 38.464 1.00 13.72 N ATOM 671 NH2 ARG A 111 8.596 17.628 36.863 1.00 14.34 N ATOM 0 H ARG A 111 10.233 13.721 42.614 1.00 14.59 H new ATOM 0 HA ARG A 111 11.970 12.500 40.912 1.00 12.91 H new ATOM 0 HB2 ARG A 111 11.811 15.251 41.607 1.00 12.02 H new ATOM 0 HB3 ARG A 111 12.888 14.682 40.633 1.00 12.02 H new ATOM 0 HG2 ARG A 111 11.327 14.244 39.008 1.00 11.41 H new ATOM 0 HG3 ARG A 111 10.142 14.420 40.005 1.00 11.41 H new ATOM 0 HD2 ARG A 111 10.613 16.746 40.126 1.00 11.57 H new ATOM 0 HD3 ARG A 111 11.761 16.555 39.087 1.00 11.57 H new ATOM 0 HE ARG A 111 9.656 15.686 37.864 1.00 12.30 H new ATOM 0 HH11 ARG A 111 10.423 18.645 39.114 1.00 13.72 H new ATOM 0 HH12 ARG A 111 9.556 19.442 38.202 1.00 13.72 H new ATOM 0 HH21 ARG A 111 8.337 16.906 36.473 1.00 14.34 H new ATOM 0 HH22 ARG A 111 8.293 18.390 36.603 1.00 14.34 H new ATOM 672 N SER A 112 13.944 12.240 42.336 1.00 11.56 N ATOM 673 CA SER A 112 15.010 11.931 43.287 1.00 11.47 C ATOM 674 C SER A 112 15.960 13.090 43.557 1.00 11.66 C ATOM 675 O SER A 112 16.508 13.215 44.657 1.00 9.24 O ATOM 676 CB SER A 112 15.845 10.739 42.791 1.00 11.98 C ATOM 677 OG SER A 112 15.046 9.593 42.540 1.00 12.49 O ATOM 0 H SER A 112 14.066 11.910 41.551 1.00 11.56 H new ATOM 0 HA SER A 112 14.553 11.725 44.118 1.00 11.47 H new ATOM 0 HB2 SER A 112 16.313 10.989 41.979 1.00 11.98 H new ATOM 0 HB3 SER A 112 16.521 10.522 43.452 1.00 11.98 H new ATOM 0 HG SER A 112 14.547 9.738 41.880 1.00 12.49 H new ATOM 678 N SER A 113 16.159 13.937 42.555 1.00 11.51 N ATOM 679 CA SER A 113 17.093 15.047 42.694 1.00 9.55 C ATOM 680 C SER A 113 16.795 16.178 41.725 1.00 9.88 C ATOM 681 O SER A 113 15.803 16.146 41.003 1.00 9.24 O ATOM 682 CB SER A 113 18.501 14.536 42.416 1.00 10.53 C ATOM 683 OG SER A 113 18.582 14.067 41.079 1.00 10.64 O ATOM 0 H SER A 113 15.767 13.888 41.791 1.00 11.51 H new ATOM 0 HA SER A 113 17.007 15.394 43.596 1.00 9.55 H new ATOM 0 HB2 SER A 113 19.147 15.246 42.559 1.00 10.53 H new ATOM 0 HB3 SER A 113 18.723 13.821 43.033 1.00 10.53 H new ATOM 0 HG SER A 113 17.816 13.848 40.812 1.00 10.64 H new ATOM 684 N PHE A 114 17.678 17.172 41.720 1.00 9.03 N ATOM 685 CA PHE A 114 17.566 18.316 40.824 1.00 11.06 C ATOM 686 C PHE A 114 18.961 18.698 40.348 1.00 9.99 C ATOM 687 O PHE A 114 19.912 18.719 41.133 1.00 11.41 O ATOM 688 CB PHE A 114 16.937 19.525 41.525 1.00 9.45 C ATOM 689 CG PHE A 114 16.897 20.762 40.663 1.00 11.36 C ATOM 690 CD1 PHE A 114 16.070 20.819 39.547 1.00 9.66 C ATOM 691 CD2 PHE A 114 17.719 21.854 40.945 1.00 11.12 C ATOM 692 CE1 PHE A 114 16.057 21.940 38.721 1.00 9.03 C ATOM 693 CE2 PHE A 114 17.717 22.982 40.128 1.00 8.99 C ATOM 694 CZ PHE A 114 16.883 23.026 39.011 1.00 10.15 C ATOM 0 H PHE A 114 18.363 17.201 42.240 1.00 9.03 H new ATOM 0 HA PHE A 114 16.996 18.066 40.080 1.00 11.06 H new ATOM 0 HB2 PHE A 114 16.034 19.299 41.797 1.00 9.45 H new ATOM 0 HB3 PHE A 114 17.437 19.718 42.333 1.00 9.45 H new ATOM 0 HD1 PHE A 114 15.517 20.098 39.349 1.00 9.66 H new ATOM 0 HD2 PHE A 114 18.276 21.828 41.689 1.00 11.12 H new ATOM 0 HE1 PHE A 114 15.499 21.965 37.978 1.00 9.03 H new ATOM 0 HE2 PHE A 114 18.270 23.703 40.327 1.00 8.99 H new ATOM 0 HZ PHE A 114 16.878 23.776 38.462 1.00 10.15 H new ATOM 695 N VAL A 115 19.077 18.992 39.059 1.00 10.92 N ATOM 696 CA VAL A 115 20.347 19.384 38.472 1.00 10.46 C ATOM 697 C VAL A 115 20.186 20.620 37.598 1.00 11.81 C ATOM 698 O VAL A 115 19.257 20.715 36.791 1.00 11.34 O ATOM 699 CB VAL A 115 20.945 18.259 37.593 1.00 11.43 C ATOM 700 CG1 VAL A 115 22.235 18.736 36.952 1.00 10.99 C ATOM 701 CG2 VAL A 115 21.204 17.015 38.431 1.00 11.08 C ATOM 0 H VAL A 115 18.422 18.969 38.502 1.00 10.92 H new ATOM 0 HA VAL A 115 20.944 19.570 39.214 1.00 10.46 H new ATOM 0 HB VAL A 115 20.310 18.035 36.895 1.00 11.43 H new ATOM 0 HG11 VAL A 115 22.605 18.027 36.403 1.00 10.99 H new ATOM 0 HG12 VAL A 115 22.054 19.512 36.399 1.00 10.99 H new ATOM 0 HG13 VAL A 115 22.872 18.974 37.644 1.00 10.99 H new ATOM 0 HG21 VAL A 115 21.578 16.318 37.869 1.00 11.08 H new ATOM 0 HG22 VAL A 115 21.829 17.228 39.141 1.00 11.08 H new ATOM 0 HG23 VAL A 115 20.370 16.705 38.817 1.00 11.08 H new ATOM 702 N CYS A 116 21.100 21.566 37.764 1.00 10.47 N ATOM 703 CA CYS A 116 21.087 22.783 36.972 1.00 8.56 C ATOM 704 C CYS A 116 22.505 23.040 36.491 1.00 7.99 C ATOM 705 O CYS A 116 23.435 23.078 37.287 1.00 7.53 O ATOM 706 CB CYS A 116 20.609 23.976 37.809 1.00 10.14 C ATOM 707 SG CYS A 116 20.739 25.573 36.951 1.00 12.37 S ATOM 0 H CYS A 116 21.741 21.520 38.336 1.00 10.47 H new ATOM 0 HA CYS A 116 20.478 22.678 36.224 1.00 8.56 H new ATOM 0 HB2 CYS A 116 19.685 23.831 38.066 1.00 10.14 H new ATOM 0 HB3 CYS A 116 21.128 24.015 38.627 1.00 10.14 H new ATOM 0 HG CYS A 116 20.345 26.448 37.671 1.00 12.37 H new ATOM 708 N VAL A 117 22.670 23.208 35.185 1.00 6.74 N ATOM 709 CA VAL A 117 23.983 23.483 34.628 1.00 7.63 C ATOM 710 C VAL A 117 23.980 24.896 34.050 1.00 8.38 C ATOM 711 O VAL A 117 23.127 25.236 33.230 1.00 11.53 O ATOM 712 CB VAL A 117 24.338 22.476 33.519 1.00 7.94 C ATOM 713 CG1 VAL A 117 25.774 22.676 33.084 1.00 10.45 C ATOM 714 CG2 VAL A 117 24.115 21.053 34.018 1.00 9.22 C ATOM 0 H VAL A 117 22.035 23.167 34.607 1.00 6.74 H new ATOM 0 HA VAL A 117 24.646 23.402 35.331 1.00 7.63 H new ATOM 0 HB VAL A 117 23.762 22.624 32.753 1.00 7.94 H new ATOM 0 HG11 VAL A 117 25.992 22.039 32.386 1.00 10.45 H new ATOM 0 HG12 VAL A 117 25.887 23.578 32.746 1.00 10.45 H new ATOM 0 HG13 VAL A 117 26.364 22.539 33.842 1.00 10.45 H new ATOM 0 HG21 VAL A 117 24.340 20.424 33.315 1.00 9.22 H new ATOM 0 HG22 VAL A 117 24.678 20.889 34.791 1.00 9.22 H new ATOM 0 HG23 VAL A 117 23.184 20.939 34.267 1.00 9.22 H new ATOM 715 N LEU A 118 24.918 25.724 34.499 1.00 9.62 N ATOM 716 CA LEU A 118 25.019 27.102 34.019 1.00 9.20 C ATOM 717 C LEU A 118 26.274 27.253 33.170 1.00 8.26 C ATOM 718 O LEU A 118 27.386 27.032 33.646 1.00 9.28 O ATOM 719 CB LEU A 118 25.067 28.073 35.205 1.00 9.36 C ATOM 720 CG LEU A 118 23.911 27.970 36.210 1.00 10.72 C ATOM 721 CD1 LEU A 118 24.222 28.801 37.447 1.00 14.56 C ATOM 722 CD2 LEU A 118 22.614 28.435 35.560 1.00 13.00 C ATOM 0 H LEU A 118 25.509 25.507 35.085 1.00 9.62 H new ATOM 0 HA LEU A 118 24.240 27.310 33.480 1.00 9.20 H new ATOM 0 HB2 LEU A 118 25.900 27.931 35.682 1.00 9.36 H new ATOM 0 HB3 LEU A 118 25.090 28.978 34.858 1.00 9.36 H new ATOM 0 HG LEU A 118 23.804 27.045 36.481 1.00 10.72 H new ATOM 0 HD11 LEU A 118 23.488 28.731 38.077 1.00 14.56 H new ATOM 0 HD12 LEU A 118 25.035 28.473 37.861 1.00 14.56 H new ATOM 0 HD13 LEU A 118 24.341 29.729 37.192 1.00 14.56 H new ATOM 0 HD21 LEU A 118 21.888 28.367 36.200 1.00 13.00 H new ATOM 0 HD22 LEU A 118 22.707 29.357 35.274 1.00 13.00 H new ATOM 0 HD23 LEU A 118 22.419 27.877 34.791 1.00 13.00 H new ATOM 723 N LEU A 119 26.087 27.624 31.908 1.00 8.21 N ATOM 724 CA LEU A 119 27.196 27.801 30.976 1.00 8.77 C ATOM 725 C LEU A 119 27.176 29.263 30.541 1.00 9.32 C ATOM 726 O LEU A 119 26.289 29.676 29.797 1.00 11.33 O ATOM 727 CB LEU A 119 27.004 26.884 29.757 1.00 6.76 C ATOM 728 CG LEU A 119 26.711 25.398 30.022 1.00 8.66 C ATOM 729 CD1 LEU A 119 26.373 24.698 28.703 1.00 8.22 C ATOM 730 CD2 LEU A 119 27.914 24.729 30.679 1.00 6.13 C ATOM 0 H LEU A 119 25.313 27.780 31.567 1.00 8.21 H new ATOM 0 HA LEU A 119 28.043 27.574 31.391 1.00 8.77 H new ATOM 0 HB2 LEU A 119 26.276 27.242 29.226 1.00 6.76 H new ATOM 0 HB3 LEU A 119 27.805 26.938 29.213 1.00 6.76 H new ATOM 0 HG LEU A 119 25.954 25.328 30.624 1.00 8.66 H new ATOM 0 HD11 LEU A 119 26.188 23.761 28.872 1.00 8.22 H new ATOM 0 HD12 LEU A 119 25.592 25.115 28.306 1.00 8.22 H new ATOM 0 HD13 LEU A 119 27.124 24.775 28.094 1.00 8.22 H new ATOM 0 HD21 LEU A 119 27.716 23.793 30.840 1.00 6.13 H new ATOM 0 HD22 LEU A 119 28.684 24.800 30.093 1.00 6.13 H new ATOM 0 HD23 LEU A 119 28.108 25.168 31.522 1.00 6.13 H new ATOM 731 N SER A 120 28.147 30.047 30.999 1.00 10.31 N ATOM 732 CA SER A 120 28.169 31.466 30.655 1.00 11.49 C ATOM 733 C SER A 120 29.419 32.161 31.172 1.00 13.25 C ATOM 734 O SER A 120 30.310 31.525 31.738 1.00 13.79 O ATOM 735 CB SER A 120 26.935 32.147 31.262 1.00 11.38 C ATOM 736 OG SER A 120 26.853 33.512 30.897 1.00 10.81 O ATOM 0 H SER A 120 28.793 29.783 31.502 1.00 10.31 H new ATOM 0 HA SER A 120 28.166 31.537 29.688 1.00 11.49 H new ATOM 0 HB2 SER A 120 26.134 31.685 30.968 1.00 11.38 H new ATOM 0 HB3 SER A 120 26.967 32.072 32.229 1.00 11.38 H new ATOM 0 HG SER A 120 26.219 33.876 31.312 1.00 10.81 H new ATOM 737 N HIS A 121 29.488 33.471 30.953 1.00 13.24 N ATOM 738 CA HIS A 121 30.599 34.266 31.456 1.00 13.76 C ATOM 739 C HIS A 121 30.235 34.440 32.926 1.00 14.22 C ATOM 740 O HIS A 121 29.079 34.251 33.299 1.00 12.54 O ATOM 741 CB HIS A 121 30.637 35.654 30.800 1.00 16.20 C ATOM 742 CG HIS A 121 31.048 35.648 29.360 1.00 17.76 C ATOM 743 ND1 HIS A 121 32.264 35.158 28.935 1.00 20.61 N ATOM 744 CD2 HIS A 121 30.432 36.133 28.256 1.00 18.14 C ATOM 745 CE1 HIS A 121 32.380 35.343 27.632 1.00 19.61 C ATOM 746 NE2 HIS A 121 31.282 35.934 27.195 1.00 17.75 N ATOM 0 H HIS A 121 28.899 33.918 30.514 1.00 13.24 H new ATOM 0 HA HIS A 121 31.459 33.851 31.287 1.00 13.76 H new ATOM 0 HB2 HIS A 121 29.758 36.058 30.872 1.00 16.20 H new ATOM 0 HB3 HIS A 121 31.250 36.218 31.297 1.00 16.20 H new ATOM 0 HD2 HIS A 121 29.590 36.527 28.222 1.00 18.14 H new ATOM 0 HE1 HIS A 121 33.110 35.099 27.111 1.00 19.61 H new ATOM 0 HE2 HIS A 121 31.125 36.158 26.380 1.00 17.75 H new ATOM 747 N GLY A 122 31.200 34.805 33.760 1.00 13.46 N ATOM 748 CA GLY A 122 30.882 34.998 35.161 1.00 14.12 C ATOM 749 C GLY A 122 32.012 35.590 35.971 1.00 15.22 C ATOM 750 O GLY A 122 33.103 35.825 35.456 1.00 14.70 O ATOM 0 H GLY A 122 32.020 34.942 33.542 1.00 13.46 H new ATOM 0 HA2 GLY A 122 30.108 35.578 35.231 1.00 14.12 H new ATOM 0 HA3 GLY A 122 30.632 34.144 35.547 1.00 14.12 H new ATOM 751 N GLU A 123 31.725 35.852 37.241 1.00 15.91 N ATOM 752 CA GLU A 123 32.699 36.390 38.180 1.00 17.20 C ATOM 753 C GLU A 123 32.382 35.660 39.475 1.00 17.32 C ATOM 754 O GLU A 123 31.423 34.892 39.525 1.00 17.07 O ATOM 755 CB GLU A 123 32.512 37.902 38.357 1.00 20.39 C ATOM 756 CG GLU A 123 32.487 38.678 37.041 1.00 23.99 C ATOM 757 CD GLU A 123 32.513 40.187 37.237 1.00 28.23 C ATOM 758 OE1 GLU A 123 31.764 40.699 38.098 1.00 28.50 O ATOM 759 OE2 GLU A 123 33.280 40.864 36.519 1.00 31.61 O ATOM 0 H GLU A 123 30.948 35.720 37.585 1.00 15.91 H new ATOM 0 HA GLU A 123 33.614 36.265 37.885 1.00 17.20 H new ATOM 0 HB2 GLU A 123 31.683 38.063 38.834 1.00 20.39 H new ATOM 0 HB3 GLU A 123 33.230 38.246 38.912 1.00 20.39 H new ATOM 0 HG2 GLU A 123 33.249 38.414 36.502 1.00 23.99 H new ATOM 0 HG3 GLU A 123 31.690 38.436 36.544 1.00 23.99 H new ATOM 760 N GLU A 124 33.172 35.878 40.519 1.00 17.18 N ATOM 761 CA GLU A 124 32.913 35.192 41.779 1.00 16.39 C ATOM 762 C GLU A 124 31.471 35.422 42.241 1.00 16.25 C ATOM 763 O GLU A 124 31.035 36.567 42.380 1.00 14.97 O ATOM 764 CB GLU A 124 33.880 35.675 42.863 1.00 16.65 C ATOM 765 CG GLU A 124 33.801 34.860 44.138 1.00 17.22 C ATOM 766 CD GLU A 124 34.243 33.428 43.931 1.00 19.57 C ATOM 767 OE1 GLU A 124 35.451 33.205 43.689 1.00 18.61 O ATOM 768 OE2 GLU A 124 33.386 32.524 44.005 1.00 20.67 O ATOM 0 H GLU A 124 33.850 36.408 40.521 1.00 17.18 H new ATOM 0 HA GLU A 124 33.047 34.243 41.632 1.00 16.39 H new ATOM 0 HB2 GLU A 124 34.786 35.640 42.519 1.00 16.65 H new ATOM 0 HB3 GLU A 124 33.690 36.604 43.067 1.00 16.65 H new ATOM 0 HG2 GLU A 124 34.356 35.273 44.818 1.00 17.22 H new ATOM 0 HG3 GLU A 124 32.890 34.870 44.470 1.00 17.22 H new ATOM 769 N GLY A 125 30.745 34.326 42.459 1.00 14.46 N ATOM 770 CA GLY A 125 29.366 34.392 42.914 1.00 14.67 C ATOM 771 C GLY A 125 28.364 34.937 41.909 1.00 15.30 C ATOM 772 O GLY A 125 27.201 35.164 42.246 1.00 14.42 O ATOM 0 H GLY A 125 31.041 33.527 42.346 1.00 14.46 H new ATOM 0 HA2 GLY A 125 29.086 33.500 43.174 1.00 14.67 H new ATOM 0 HA3 GLY A 125 29.332 34.944 43.711 1.00 14.67 H new ATOM 773 N ILE A 126 28.797 35.126 40.669 1.00 14.87 N ATOM 774 CA ILE A 126 27.922 35.682 39.646 1.00 15.79 C ATOM 775 C ILE A 126 27.925 34.909 38.333 1.00 15.50 C ATOM 776 O ILE A 126 28.950 34.372 37.920 1.00 15.20 O ATOM 777 CB ILE A 126 28.326 37.147 39.348 1.00 17.85 C ATOM 778 CG1 ILE A 126 28.126 38.000 40.603 1.00 18.00 C ATOM 779 CG2 ILE A 126 27.530 37.690 38.169 1.00 19.17 C ATOM 780 CD1 ILE A 126 28.678 39.408 40.485 1.00 20.62 C ATOM 0 H ILE A 126 29.592 34.939 40.400 1.00 14.87 H new ATOM 0 HA ILE A 126 27.025 35.623 40.011 1.00 15.79 H new ATOM 0 HB ILE A 126 29.264 37.180 39.104 1.00 17.85 H new ATOM 0 HG12 ILE A 126 27.178 38.050 40.802 1.00 18.00 H new ATOM 0 HG13 ILE A 126 28.551 37.558 41.355 1.00 18.00 H new ATOM 0 HG21 ILE A 126 27.794 38.607 37.995 1.00 19.17 H new ATOM 0 HG22 ILE A 126 27.705 37.149 37.383 1.00 19.17 H new ATOM 0 HG23 ILE A 126 26.583 37.660 38.377 1.00 19.17 H new ATOM 0 HD11 ILE A 126 28.517 39.889 41.312 1.00 20.62 H new ATOM 0 HD12 ILE A 126 29.632 39.369 40.315 1.00 20.62 H new ATOM 0 HD13 ILE A 126 28.238 39.868 39.753 1.00 20.62 H new ATOM 781 N ILE A 127 26.761 34.860 37.690 1.00 15.63 N ATOM 782 CA ILE A 127 26.598 34.204 36.398 1.00 14.41 C ATOM 783 C ILE A 127 25.942 35.257 35.508 1.00 14.28 C ATOM 784 O ILE A 127 25.004 35.931 35.924 1.00 13.26 O ATOM 785 CB ILE A 127 25.689 32.949 36.495 1.00 16.76 C ATOM 786 CG1 ILE A 127 25.717 32.188 35.171 1.00 18.84 C ATOM 787 CG2 ILE A 127 24.257 33.344 36.846 1.00 17.71 C ATOM 788 CD1 ILE A 127 27.072 31.565 34.851 1.00 19.69 C ATOM 0 H ILE A 127 26.037 35.210 37.995 1.00 15.63 H new ATOM 0 HA ILE A 127 27.449 33.892 36.053 1.00 14.41 H new ATOM 0 HB ILE A 127 26.026 32.375 37.201 1.00 16.76 H new ATOM 0 HG12 ILE A 127 25.046 31.488 35.195 1.00 18.84 H new ATOM 0 HG13 ILE A 127 25.471 32.793 34.454 1.00 18.84 H new ATOM 0 HG21 ILE A 127 23.706 32.548 36.902 1.00 17.71 H new ATOM 0 HG22 ILE A 127 24.248 33.803 37.700 1.00 17.71 H new ATOM 0 HG23 ILE A 127 23.906 33.932 36.159 1.00 17.71 H new ATOM 0 HD11 ILE A 127 27.022 31.099 34.002 1.00 19.69 H new ATOM 0 HD12 ILE A 127 27.744 32.262 34.798 1.00 19.69 H new ATOM 0 HD13 ILE A 127 27.313 30.937 35.550 1.00 19.69 H new ATOM 789 N PHE A 128 26.425 35.407 34.283 1.00 13.35 N ATOM 790 CA PHE A 128 25.865 36.429 33.414 1.00 14.47 C ATOM 791 C PHE A 128 24.723 36.017 32.509 1.00 13.72 C ATOM 792 O PHE A 128 24.778 34.987 31.836 1.00 11.84 O ATOM 793 CB PHE A 128 26.969 37.049 32.557 1.00 15.95 C ATOM 794 CG PHE A 128 27.804 38.051 33.288 1.00 18.24 C ATOM 795 CD1 PHE A 128 27.356 39.358 33.453 1.00 18.91 C ATOM 796 CD2 PHE A 128 29.029 37.687 33.834 1.00 19.74 C ATOM 797 CE1 PHE A 128 28.120 40.291 34.154 1.00 20.40 C ATOM 798 CE2 PHE A 128 29.799 38.612 34.537 1.00 20.75 C ATOM 799 CZ PHE A 128 29.343 39.916 34.696 1.00 19.69 C ATOM 0 H PHE A 128 27.061 34.940 33.942 1.00 13.35 H new ATOM 0 HA PHE A 128 25.473 37.061 34.036 1.00 14.47 H new ATOM 0 HB2 PHE A 128 27.544 36.343 32.223 1.00 15.95 H new ATOM 0 HB3 PHE A 128 26.567 37.476 31.785 1.00 15.95 H new ATOM 0 HD1 PHE A 128 26.538 39.612 33.092 1.00 18.91 H new ATOM 0 HD2 PHE A 128 29.339 36.816 33.729 1.00 19.74 H new ATOM 0 HE1 PHE A 128 27.811 41.162 34.258 1.00 20.40 H new ATOM 0 HE2 PHE A 128 30.617 38.357 34.899 1.00 20.75 H new ATOM 0 HZ PHE A 128 29.855 40.535 35.164 1.00 19.69 H new ATOM 800 N GLY A 129 23.673 36.830 32.529 1.00 12.55 N ATOM 801 CA GLY A 129 22.545 36.610 31.651 1.00 12.63 C ATOM 802 C GLY A 129 23.007 37.343 30.405 1.00 13.90 C ATOM 803 O GLY A 129 24.079 37.945 30.422 1.00 12.78 O ATOM 0 H GLY A 129 23.599 37.514 33.046 1.00 12.55 H new ATOM 0 HA2 GLY A 129 22.386 35.668 31.486 1.00 12.63 H new ATOM 0 HA3 GLY A 129 21.722 36.978 32.010 1.00 12.63 H new ATOM 804 N THR A 130 22.232 37.309 29.331 1.00 13.22 N ATOM 805 CA THR A 130 22.640 37.986 28.106 1.00 14.51 C ATOM 806 C THR A 130 22.654 39.513 28.219 1.00 15.61 C ATOM 807 O THR A 130 23.271 40.191 27.398 1.00 16.54 O ATOM 808 CB THR A 130 21.723 37.596 26.937 1.00 15.10 C ATOM 809 OG1 THR A 130 20.377 37.975 27.242 1.00 14.55 O ATOM 810 CG2 THR A 130 21.776 36.092 26.699 1.00 13.96 C ATOM 0 H THR A 130 21.474 36.905 29.288 1.00 13.22 H new ATOM 0 HA THR A 130 23.551 37.693 27.945 1.00 14.51 H new ATOM 0 HB THR A 130 22.025 38.054 26.137 1.00 15.10 H new ATOM 0 HG1 THR A 130 19.939 38.050 26.529 1.00 14.55 H new ATOM 0 HG21 THR A 130 21.193 35.861 25.959 1.00 13.96 H new ATOM 0 HG22 THR A 130 22.686 35.829 26.488 1.00 13.96 H new ATOM 0 HG23 THR A 130 21.483 35.627 27.498 1.00 13.96 H new ATOM 811 N ASN A 131 21.993 40.054 29.239 1.00 16.26 N ATOM 812 CA ASN A 131 21.918 41.506 29.404 1.00 17.37 C ATOM 813 C ASN A 131 22.373 41.995 30.774 1.00 17.82 C ATOM 814 O ASN A 131 22.069 43.121 31.170 1.00 18.82 O ATOM 815 CB ASN A 131 20.479 41.971 29.154 1.00 16.98 C ATOM 816 CG ASN A 131 19.510 41.445 30.200 1.00 16.00 C ATOM 817 OD1 ASN A 131 19.696 40.355 30.733 1.00 17.33 O ATOM 818 ND2 ASN A 131 18.465 42.213 30.488 1.00 13.42 N ATOM 0 H ASN A 131 21.583 39.602 29.844 1.00 16.26 H new ATOM 0 HA ASN A 131 22.530 41.889 28.756 1.00 17.37 H new ATOM 0 HB2 ASN A 131 20.451 42.941 29.150 1.00 16.98 H new ATOM 0 HB3 ASN A 131 20.194 41.675 28.275 1.00 16.98 H new ATOM 0 HD21 ASN A 131 17.886 41.952 31.068 1.00 13.42 H new ATOM 0 HD22 ASN A 131 18.367 42.971 30.094 1.00 13.42 H new ATOM 819 N GLY A 132 23.099 41.154 31.500 1.00 17.14 N ATOM 820 CA GLY A 132 23.552 41.550 32.817 1.00 16.52 C ATOM 821 C GLY A 132 23.784 40.375 33.744 1.00 16.93 C ATOM 822 O GLY A 132 23.470 39.233 33.401 1.00 15.96 O ATOM 0 H GLY A 132 23.335 40.365 31.251 1.00 17.14 H new ATOM 0 HA2 GLY A 132 24.376 42.055 32.731 1.00 16.52 H new ATOM 0 HA3 GLY A 132 22.895 42.143 33.214 1.00 16.52 H new ATOM 823 N PRO A 133 24.328 40.632 34.942 1.00 17.37 N ATOM 824 CA PRO A 133 24.620 39.607 35.946 1.00 16.97 C ATOM 825 C PRO A 133 23.446 39.122 36.790 1.00 16.03 C ATOM 826 O PRO A 133 22.425 39.797 36.927 1.00 13.82 O ATOM 827 CB PRO A 133 25.679 40.278 36.808 1.00 18.48 C ATOM 828 CG PRO A 133 25.201 41.699 36.824 1.00 18.56 C ATOM 829 CD PRO A 133 24.872 41.937 35.363 1.00 18.69 C ATOM 0 HA PRO A 133 24.893 38.784 35.512 1.00 16.97 H new ATOM 0 HB2 PRO A 133 25.719 39.897 37.699 1.00 18.48 H new ATOM 0 HB3 PRO A 133 26.566 40.196 36.425 1.00 18.48 H new ATOM 0 HG2 PRO A 133 24.425 41.815 37.394 1.00 18.56 H new ATOM 0 HG3 PRO A 133 25.884 42.308 37.146 1.00 18.56 H new ATOM 0 HD2 PRO A 133 24.225 42.651 35.250 1.00 18.69 H new ATOM 0 HD3 PRO A 133 25.658 42.183 34.851 1.00 18.69 H new ATOM 830 N VAL A 134 23.621 37.933 37.352 1.00 14.41 N ATOM 831 CA VAL A 134 22.640 37.318 38.230 1.00 16.16 C ATOM 832 C VAL A 134 23.428 36.701 39.379 1.00 16.80 C ATOM 833 O VAL A 134 24.366 35.935 39.146 1.00 16.11 O ATOM 834 CB VAL A 134 21.853 36.184 37.529 1.00 17.09 C ATOM 835 CG1 VAL A 134 20.869 35.562 38.509 1.00 18.18 C ATOM 836 CG2 VAL A 134 21.119 36.719 36.316 1.00 18.08 C ATOM 0 H VAL A 134 24.325 37.454 37.231 1.00 14.41 H new ATOM 0 HA VAL A 134 21.999 37.988 38.514 1.00 16.16 H new ATOM 0 HB VAL A 134 22.478 35.505 37.231 1.00 17.09 H new ATOM 0 HG11 VAL A 134 20.377 34.852 38.067 1.00 18.18 H new ATOM 0 HG12 VAL A 134 21.353 35.197 39.266 1.00 18.18 H new ATOM 0 HG13 VAL A 134 20.248 36.240 38.819 1.00 18.18 H new ATOM 0 HG21 VAL A 134 20.631 35.998 35.888 1.00 18.08 H new ATOM 0 HG22 VAL A 134 20.497 37.410 36.593 1.00 18.08 H new ATOM 0 HG23 VAL A 134 21.758 37.093 35.689 1.00 18.08 H new ATOM 837 N ASP A 135 23.069 37.049 40.612 1.00 16.60 N ATOM 838 CA ASP A 135 23.743 36.485 41.776 1.00 17.24 C ATOM 839 C ASP A 135 23.393 35.008 41.836 1.00 15.20 C ATOM 840 O ASP A 135 22.225 34.646 41.738 1.00 14.43 O ATOM 841 CB ASP A 135 23.257 37.144 43.070 1.00 19.14 C ATOM 842 CG ASP A 135 23.849 38.516 43.292 1.00 22.11 C ATOM 843 OD1 ASP A 135 23.432 39.178 44.264 1.00 27.02 O ATOM 844 OD2 ASP A 135 24.729 38.932 42.511 1.00 24.59 O ATOM 0 H ASP A 135 22.441 37.607 40.795 1.00 16.60 H new ATOM 0 HA ASP A 135 24.698 36.632 41.694 1.00 17.24 H new ATOM 0 HB2 ASP A 135 22.290 37.214 43.048 1.00 19.14 H new ATOM 0 HB3 ASP A 135 23.483 36.574 43.822 1.00 19.14 H new ATOM 845 N LEU A 136 24.396 34.154 42.000 1.00 14.86 N ATOM 846 CA LEU A 136 24.128 32.726 42.082 1.00 16.51 C ATOM 847 C LEU A 136 23.220 32.464 43.277 1.00 16.72 C ATOM 848 O LEU A 136 22.355 31.587 43.239 1.00 17.51 O ATOM 849 CB LEU A 136 25.437 31.946 42.227 1.00 16.65 C ATOM 850 CG LEU A 136 26.314 31.941 40.971 1.00 19.62 C ATOM 851 CD1 LEU A 136 27.613 31.188 41.237 1.00 21.39 C ATOM 852 CD2 LEU A 136 25.546 31.288 39.826 1.00 21.20 C ATOM 0 H LEU A 136 25.224 34.376 42.065 1.00 14.86 H new ATOM 0 HA LEU A 136 23.690 32.430 41.269 1.00 16.51 H new ATOM 0 HB2 LEU A 136 25.946 32.323 42.962 1.00 16.65 H new ATOM 0 HB3 LEU A 136 25.230 31.029 42.467 1.00 16.65 H new ATOM 0 HG LEU A 136 26.537 32.854 40.729 1.00 19.62 H new ATOM 0 HD11 LEU A 136 28.159 31.192 40.435 1.00 21.39 H new ATOM 0 HD12 LEU A 136 28.096 31.620 41.959 1.00 21.39 H new ATOM 0 HD13 LEU A 136 27.411 30.272 41.486 1.00 21.39 H new ATOM 0 HD21 LEU A 136 26.097 31.282 39.028 1.00 21.20 H new ATOM 0 HD22 LEU A 136 25.318 30.377 40.067 1.00 21.20 H new ATOM 0 HD23 LEU A 136 24.734 31.789 39.654 1.00 21.20 H new ATOM 853 N LYS A 137 23.413 33.244 44.333 1.00 16.22 N ATOM 854 CA LYS A 137 22.614 33.101 45.542 1.00 18.29 C ATOM 855 C LYS A 137 21.123 33.263 45.241 1.00 18.10 C ATOM 856 O LYS A 137 20.287 32.547 45.790 1.00 16.52 O ATOM 857 CB LYS A 137 23.049 34.138 46.579 1.00 21.01 C ATOM 858 CG LYS A 137 22.644 33.791 48.000 1.00 26.43 C ATOM 859 CD LYS A 137 23.364 32.537 48.466 1.00 27.71 C ATOM 860 CE LYS A 137 22.939 32.139 49.862 1.00 30.82 C ATOM 861 NZ LYS A 137 23.671 30.926 50.305 1.00 32.99 N ATOM 0 H LYS A 137 24.006 33.866 44.369 1.00 16.22 H new ATOM 0 HA LYS A 137 22.757 32.209 45.895 1.00 18.29 H new ATOM 0 HB2 LYS A 137 24.013 34.236 46.541 1.00 21.01 H new ATOM 0 HB3 LYS A 137 22.667 34.998 46.344 1.00 21.01 H new ATOM 0 HG2 LYS A 137 22.854 34.530 48.592 1.00 26.43 H new ATOM 0 HG3 LYS A 137 21.685 33.655 48.045 1.00 26.43 H new ATOM 0 HD2 LYS A 137 23.180 31.810 47.851 1.00 27.71 H new ATOM 0 HD3 LYS A 137 24.322 32.688 48.449 1.00 27.71 H new ATOM 0 HE2 LYS A 137 23.110 32.869 50.478 1.00 30.82 H new ATOM 0 HE3 LYS A 137 21.984 31.971 49.879 1.00 30.82 H new ATOM 0 HZ1 LYS A 137 23.284 30.596 51.035 1.00 32.99 H new ATOM 0 HZ2 LYS A 137 23.653 30.315 49.658 1.00 32.99 H new ATOM 0 HZ3 LYS A 137 24.516 31.139 50.487 1.00 32.99 H new ATOM 862 N LYS A 138 20.793 34.205 44.364 1.00 18.54 N ATOM 863 CA LYS A 138 19.401 34.445 44.003 1.00 20.82 C ATOM 864 C LYS A 138 18.810 33.190 43.361 1.00 20.53 C ATOM 865 O LYS A 138 17.686 32.789 43.665 1.00 20.90 O ATOM 866 CB LYS A 138 19.306 35.623 43.031 1.00 22.19 C ATOM 867 CG LYS A 138 17.916 36.221 42.919 1.00 26.03 C ATOM 868 CD LYS A 138 17.913 37.431 42.005 1.00 29.07 C ATOM 869 CE LYS A 138 16.617 38.210 42.133 1.00 31.54 C ATOM 870 NZ LYS A 138 15.436 37.335 41.910 1.00 33.91 N ATOM 0 H LYS A 138 21.360 34.716 43.967 1.00 18.54 H new ATOM 0 HA LYS A 138 18.899 34.659 44.805 1.00 20.82 H new ATOM 0 HB2 LYS A 138 19.924 36.315 43.315 1.00 22.19 H new ATOM 0 HB3 LYS A 138 19.593 35.329 42.152 1.00 22.19 H new ATOM 0 HG2 LYS A 138 17.300 35.553 42.578 1.00 26.03 H new ATOM 0 HG3 LYS A 138 17.599 36.476 43.799 1.00 26.03 H new ATOM 0 HD2 LYS A 138 18.663 38.007 42.223 1.00 29.07 H new ATOM 0 HD3 LYS A 138 18.033 37.146 41.086 1.00 29.07 H new ATOM 0 HE2 LYS A 138 16.564 38.610 43.015 1.00 31.54 H new ATOM 0 HE3 LYS A 138 16.609 38.937 41.491 1.00 31.54 H new ATOM 0 HZ1 LYS A 138 14.820 37.780 41.447 1.00 33.91 H new ATOM 0 HZ2 LYS A 138 15.684 36.611 41.455 1.00 33.91 H new ATOM 0 HZ3 LYS A 138 15.096 37.089 42.695 1.00 33.91 H new ATOM 871 N ILE A 139 19.584 32.569 42.479 1.00 19.31 N ATOM 872 CA ILE A 139 19.153 31.359 41.788 1.00 19.80 C ATOM 873 C ILE A 139 18.968 30.174 42.738 1.00 18.62 C ATOM 874 O ILE A 139 17.922 29.522 42.737 1.00 18.85 O ATOM 875 CB ILE A 139 20.178 30.955 40.697 1.00 21.68 C ATOM 876 CG1 ILE A 139 20.291 32.068 39.653 1.00 21.69 C ATOM 877 CG2 ILE A 139 19.761 29.638 40.042 1.00 20.87 C ATOM 878 CD1 ILE A 139 21.327 31.805 38.576 1.00 23.56 C ATOM 0 H ILE A 139 20.373 32.836 42.264 1.00 19.31 H new ATOM 0 HA ILE A 139 18.295 31.570 41.387 1.00 19.80 H new ATOM 0 HB ILE A 139 21.047 30.827 41.108 1.00 21.68 H new ATOM 0 HG12 ILE A 139 19.426 32.193 39.232 1.00 21.69 H new ATOM 0 HG13 ILE A 139 20.510 32.899 40.103 1.00 21.69 H new ATOM 0 HG21 ILE A 139 20.409 29.395 39.362 1.00 20.87 H new ATOM 0 HG22 ILE A 139 19.722 28.940 40.714 1.00 20.87 H new ATOM 0 HG23 ILE A 139 18.887 29.742 39.633 1.00 20.87 H new ATOM 0 HD11 ILE A 139 21.343 32.549 37.953 1.00 23.56 H new ATOM 0 HD12 ILE A 139 22.201 31.708 38.985 1.00 23.56 H new ATOM 0 HD13 ILE A 139 21.100 30.990 38.101 1.00 23.56 H new ATOM 879 N THR A 140 19.981 29.901 43.552 1.00 16.62 N ATOM 880 CA THR A 140 19.920 28.772 44.474 1.00 15.77 C ATOM 881 C THR A 140 18.914 28.933 45.612 1.00 14.72 C ATOM 882 O THR A 140 18.368 27.944 46.101 1.00 13.16 O ATOM 883 CB THR A 140 21.318 28.464 45.062 1.00 17.63 C ATOM 884 OG1 THR A 140 21.830 29.619 45.739 1.00 17.43 O ATOM 885 CG2 THR A 140 22.280 28.075 43.946 1.00 15.84 C ATOM 0 H THR A 140 20.711 30.355 43.587 1.00 16.62 H new ATOM 0 HA THR A 140 19.607 28.029 43.935 1.00 15.77 H new ATOM 0 HB THR A 140 21.235 27.729 45.690 1.00 17.63 H new ATOM 0 HG1 THR A 140 22.048 30.201 45.174 1.00 17.43 H new ATOM 0 HG21 THR A 140 23.153 27.884 44.323 1.00 15.84 H new ATOM 0 HG22 THR A 140 21.945 27.287 43.490 1.00 15.84 H new ATOM 0 HG23 THR A 140 22.355 28.806 43.313 1.00 15.84 H new ATOM 886 N ASN A 141 18.654 30.170 46.027 1.00 14.45 N ATOM 887 CA ASN A 141 17.706 30.406 47.107 1.00 14.54 C ATOM 888 C ASN A 141 16.319 29.843 46.806 1.00 13.67 C ATOM 889 O ASN A 141 15.609 29.429 47.717 1.00 13.04 O ATOM 890 CB ASN A 141 17.600 31.903 47.426 1.00 17.34 C ATOM 891 CG ASN A 141 18.746 32.397 48.293 1.00 21.04 C ATOM 892 OD1 ASN A 141 19.303 31.644 49.092 1.00 20.93 O ATOM 893 ND2 ASN A 141 19.090 33.673 48.152 1.00 23.13 N ATOM 0 H ASN A 141 19.013 30.879 45.699 1.00 14.45 H new ATOM 0 HA ASN A 141 18.052 29.935 47.881 1.00 14.54 H new ATOM 0 HB2 ASN A 141 17.585 32.407 46.597 1.00 17.34 H new ATOM 0 HB3 ASN A 141 16.759 32.075 47.878 1.00 17.34 H new ATOM 0 HD21 ASN A 141 19.725 34.003 48.630 1.00 23.13 H new ATOM 0 HD22 ASN A 141 18.678 34.169 47.583 1.00 23.13 H new ATOM 894 N PHE A 142 15.937 29.817 45.533 1.00 12.83 N ATOM 895 CA PHE A 142 14.628 29.290 45.152 1.00 13.58 C ATOM 896 C PHE A 142 14.486 27.826 45.550 1.00 13.29 C ATOM 897 O PHE A 142 13.375 27.325 45.735 1.00 12.37 O ATOM 898 CB PHE A 142 14.421 29.399 43.639 1.00 13.79 C ATOM 899 CG PHE A 142 14.185 30.800 43.152 1.00 14.62 C ATOM 900 CD1 PHE A 142 13.114 31.546 43.633 1.00 14.39 C ATOM 901 CD2 PHE A 142 15.023 31.367 42.197 1.00 13.48 C ATOM 902 CE1 PHE A 142 12.879 32.843 43.167 1.00 16.37 C ATOM 903 CE2 PHE A 142 14.798 32.662 41.724 1.00 15.51 C ATOM 904 CZ PHE A 142 13.725 33.400 42.209 1.00 15.02 C ATOM 0 H PHE A 142 16.417 30.098 44.877 1.00 12.83 H new ATOM 0 HA PHE A 142 13.961 29.819 45.618 1.00 13.58 H new ATOM 0 HB2 PHE A 142 15.200 29.037 43.189 1.00 13.79 H new ATOM 0 HB3 PHE A 142 13.665 28.847 43.385 1.00 13.79 H new ATOM 0 HD1 PHE A 142 12.548 31.178 44.272 1.00 14.39 H new ATOM 0 HD2 PHE A 142 15.743 30.877 41.869 1.00 13.48 H new ATOM 0 HE1 PHE A 142 12.160 33.333 43.495 1.00 16.37 H new ATOM 0 HE2 PHE A 142 15.365 33.030 41.085 1.00 15.51 H new ATOM 0 HZ PHE A 142 13.572 34.262 41.896 1.00 15.02 H new ATOM 905 N PHE A 143 15.622 27.153 45.687 1.00 11.19 N ATOM 906 CA PHE A 143 15.648 25.737 46.017 1.00 11.64 C ATOM 907 C PHE A 143 16.011 25.411 47.465 1.00 12.43 C ATOM 908 O PHE A 143 16.250 24.251 47.804 1.00 14.13 O ATOM 909 CB PHE A 143 16.604 25.036 45.050 1.00 12.39 C ATOM 910 CG PHE A 143 16.208 25.192 43.609 1.00 12.12 C ATOM 911 CD1 PHE A 143 15.295 24.319 43.026 1.00 10.88 C ATOM 912 CD2 PHE A 143 16.703 26.249 42.849 1.00 12.38 C ATOM 913 CE1 PHE A 143 14.877 24.498 41.707 1.00 13.29 C ATOM 914 CE2 PHE A 143 16.289 26.435 41.527 1.00 10.38 C ATOM 915 CZ PHE A 143 15.377 25.560 40.958 1.00 13.14 C ATOM 0 H PHE A 143 16.400 27.506 45.591 1.00 11.19 H new ATOM 0 HA PHE A 143 14.739 25.412 45.922 1.00 11.64 H new ATOM 0 HB2 PHE A 143 17.498 25.391 45.174 1.00 12.39 H new ATOM 0 HB3 PHE A 143 16.641 24.092 45.269 1.00 12.39 H new ATOM 0 HD1 PHE A 143 14.959 23.607 43.522 1.00 10.88 H new ATOM 0 HD2 PHE A 143 17.316 26.838 43.226 1.00 12.38 H new ATOM 0 HE1 PHE A 143 14.265 23.909 41.328 1.00 13.29 H new ATOM 0 HE2 PHE A 143 16.625 27.145 41.030 1.00 10.38 H new ATOM 0 HZ PHE A 143 15.100 25.682 40.079 1.00 13.14 H new ATOM 916 N ARG A 144 16.041 26.429 48.318 1.00 11.68 N ATOM 917 CA ARG A 144 16.341 26.221 49.732 1.00 13.10 C ATOM 918 C ARG A 144 15.392 25.169 50.304 1.00 14.36 C ATOM 919 O ARG A 144 14.261 25.022 49.836 1.00 14.00 O ATOM 920 CB ARG A 144 16.178 27.527 50.513 1.00 13.46 C ATOM 921 CG ARG A 144 17.396 28.433 50.463 1.00 16.89 C ATOM 922 CD ARG A 144 17.110 29.814 51.046 1.00 17.10 C ATOM 923 NE ARG A 144 16.287 29.761 52.251 1.00 18.31 N ATOM 924 CZ ARG A 144 16.220 30.738 53.152 1.00 20.18 C ATOM 925 NH1 ARG A 144 16.935 31.843 52.990 1.00 20.00 N ATOM 926 NH2 ARG A 144 15.436 30.615 54.214 1.00 19.81 N ATOM 0 H ARG A 144 15.891 27.247 48.100 1.00 11.68 H new ATOM 0 HA ARG A 144 17.259 25.919 49.814 1.00 13.10 H new ATOM 0 HB2 ARG A 144 15.413 28.009 50.162 1.00 13.46 H new ATOM 0 HB3 ARG A 144 15.981 27.317 51.439 1.00 13.46 H new ATOM 0 HG2 ARG A 144 18.124 28.021 50.954 1.00 16.89 H new ATOM 0 HG3 ARG A 144 17.690 28.526 49.543 1.00 16.89 H new ATOM 0 HD2 ARG A 144 17.950 30.254 51.252 1.00 17.10 H new ATOM 0 HD3 ARG A 144 16.663 30.356 50.378 1.00 17.10 H new ATOM 0 HE ARG A 144 15.816 29.054 52.387 1.00 18.31 H new ATOM 0 HH11 ARG A 144 17.443 31.929 52.302 1.00 20.00 H new ATOM 0 HH12 ARG A 144 16.890 32.473 53.573 1.00 20.00 H new ATOM 0 HH21 ARG A 144 14.968 29.902 54.323 1.00 19.81 H new ATOM 0 HH22 ARG A 144 15.395 31.249 54.794 1.00 19.81 H new ATOM 927 N GLY A 145 15.855 24.444 51.317 1.00 13.42 N ATOM 928 CA GLY A 145 15.031 23.415 51.924 1.00 14.23 C ATOM 929 C GLY A 145 13.679 23.918 52.398 1.00 14.38 C ATOM 930 O GLY A 145 12.718 23.153 52.453 1.00 13.98 O ATOM 0 H GLY A 145 16.637 24.533 51.663 1.00 13.42 H new ATOM 0 HA2 GLY A 145 14.895 22.700 51.282 1.00 14.23 H new ATOM 0 HA3 GLY A 145 15.507 23.033 52.677 1.00 14.23 H new ATOM 931 N ASP A 146 13.597 25.204 52.728 1.00 15.34 N ATOM 932 CA ASP A 146 12.346 25.778 53.205 1.00 16.30 C ATOM 933 C ASP A 146 11.510 26.451 52.116 1.00 17.54 C ATOM 934 O ASP A 146 10.351 26.792 52.350 1.00 19.80 O ATOM 935 CB ASP A 146 12.623 26.774 54.344 1.00 15.22 C ATOM 936 CG ASP A 146 13.355 28.024 53.875 1.00 15.86 C ATOM 937 OD1 ASP A 146 14.150 27.937 52.914 1.00 13.50 O ATOM 938 OD2 ASP A 146 13.149 29.097 54.488 1.00 15.42 O ATOM 0 H ASP A 146 14.253 25.758 52.683 1.00 15.34 H new ATOM 0 HA ASP A 146 11.817 25.032 53.527 1.00 16.30 H new ATOM 0 HB2 ASP A 146 11.782 27.032 54.753 1.00 15.22 H new ATOM 0 HB3 ASP A 146 13.150 26.335 55.030 1.00 15.22 H new ATOM 939 N ARG A 147 12.081 26.622 50.926 1.00 17.53 N ATOM 940 CA ARG A 147 11.361 27.276 49.835 1.00 18.01 C ATOM 941 C ARG A 147 10.910 26.345 48.705 1.00 17.56 C ATOM 942 O ARG A 147 10.087 26.725 47.879 1.00 19.21 O ATOM 943 CB ARG A 147 12.201 28.434 49.288 1.00 18.08 C ATOM 944 CG ARG A 147 12.473 29.499 50.350 1.00 15.41 C ATOM 945 CD ARG A 147 13.261 30.684 49.816 1.00 17.74 C ATOM 946 NE ARG A 147 13.512 31.663 50.873 1.00 18.24 N ATOM 947 CZ ARG A 147 14.236 32.769 50.723 1.00 19.71 C ATOM 948 NH1 ARG A 147 14.790 33.050 49.553 1.00 18.53 N ATOM 949 NH2 ARG A 147 14.411 33.594 51.749 1.00 18.90 N ATOM 0 H ARG A 147 12.879 26.369 50.730 1.00 17.53 H new ATOM 0 HA ARG A 147 10.535 27.607 50.220 1.00 18.01 H new ATOM 0 HB2 ARG A 147 13.044 28.090 48.953 1.00 18.08 H new ATOM 0 HB3 ARG A 147 11.741 28.839 48.536 1.00 18.08 H new ATOM 0 HG2 ARG A 147 11.628 29.814 50.709 1.00 15.41 H new ATOM 0 HG3 ARG A 147 12.961 29.097 51.086 1.00 15.41 H new ATOM 0 HD2 ARG A 147 14.104 30.377 49.448 1.00 17.74 H new ATOM 0 HD3 ARG A 147 12.771 31.103 49.092 1.00 17.74 H new ATOM 0 HE ARG A 147 13.167 31.513 51.646 1.00 18.24 H new ATOM 0 HH11 ARG A 147 14.682 32.517 48.887 1.00 18.53 H new ATOM 0 HH12 ARG A 147 15.257 33.766 49.459 1.00 18.53 H new ATOM 0 HH21 ARG A 147 14.056 33.413 52.511 1.00 18.90 H new ATOM 0 HH22 ARG A 147 14.879 34.309 51.651 1.00 18.90 H new ATOM 950 N CYS A 148 11.456 25.135 48.667 1.00 16.51 N ATOM 951 CA CYS A 148 11.063 24.134 47.674 1.00 14.87 C ATOM 952 C CYS A 148 10.932 22.836 48.466 1.00 15.97 C ATOM 953 O CYS A 148 11.837 22.002 48.475 1.00 14.35 O ATOM 954 CB CYS A 148 12.123 23.985 46.578 1.00 15.80 C ATOM 955 SG CYS A 148 11.641 22.829 45.258 1.00 14.88 S ATOM 0 H CYS A 148 12.064 24.869 49.214 1.00 16.51 H new ATOM 0 HA CYS A 148 10.242 24.382 47.221 1.00 14.87 H new ATOM 0 HB2 CYS A 148 12.300 24.855 46.188 1.00 15.80 H new ATOM 0 HB3 CYS A 148 12.952 23.680 46.979 1.00 15.80 H new ATOM 0 HG CYS A 148 10.930 23.392 44.472 1.00 14.88 H new ATOM 956 N ARG A 149 9.798 22.679 49.140 1.00 15.11 N ATOM 957 CA ARG A 149 9.564 21.513 49.985 1.00 16.19 C ATOM 958 C ARG A 149 9.613 20.157 49.298 1.00 14.76 C ATOM 959 O ARG A 149 9.946 19.161 49.937 1.00 15.89 O ATOM 960 CB ARG A 149 8.231 21.667 50.730 1.00 18.27 C ATOM 961 CG ARG A 149 8.134 22.943 51.558 1.00 23.18 C ATOM 962 CD ARG A 149 9.207 23.035 52.653 1.00 26.48 C ATOM 963 NE ARG A 149 8.899 22.244 53.846 1.00 31.23 N ATOM 964 CZ ARG A 149 9.149 20.944 53.985 1.00 33.74 C ATOM 965 NH1 ARG A 149 9.720 20.258 53.004 1.00 34.36 N ATOM 966 NH2 ARG A 149 8.831 20.327 55.117 1.00 35.20 N ATOM 0 H ARG A 149 9.147 23.240 49.121 1.00 15.11 H new ATOM 0 HA ARG A 149 10.319 21.504 50.594 1.00 16.19 H new ATOM 0 HB2 ARG A 149 7.506 21.654 50.085 1.00 18.27 H new ATOM 0 HB3 ARG A 149 8.106 20.902 51.313 1.00 18.27 H new ATOM 0 HG2 ARG A 149 8.213 23.710 50.970 1.00 23.18 H new ATOM 0 HG3 ARG A 149 7.256 22.990 51.968 1.00 23.18 H new ATOM 0 HD2 ARG A 149 10.056 22.739 52.289 1.00 26.48 H new ATOM 0 HD3 ARG A 149 9.317 23.964 52.910 1.00 26.48 H new ATOM 0 HE ARG A 149 8.528 22.650 54.507 1.00 31.23 H new ATOM 0 HH11 ARG A 149 9.932 20.653 52.270 1.00 34.36 H new ATOM 0 HH12 ARG A 149 9.878 19.418 53.102 1.00 34.36 H new ATOM 0 HH21 ARG A 149 8.464 20.767 55.758 1.00 35.20 H new ATOM 0 HH22 ARG A 149 8.992 19.487 55.209 1.00 35.20 H new ATOM 967 N SER A 150 9.283 20.096 48.010 1.00 13.87 N ATOM 968 CA SER A 150 9.323 18.812 47.321 1.00 13.06 C ATOM 969 C SER A 150 10.758 18.379 47.009 1.00 12.92 C ATOM 970 O SER A 150 10.983 17.291 46.487 1.00 12.27 O ATOM 971 CB SER A 150 8.475 18.845 46.041 1.00 14.42 C ATOM 972 OG SER A 150 8.890 19.868 45.163 1.00 14.45 O ATOM 0 H SER A 150 9.040 20.766 47.529 1.00 13.87 H new ATOM 0 HA SER A 150 8.942 18.153 47.922 1.00 13.06 H new ATOM 0 HB2 SER A 150 8.536 17.988 45.591 1.00 14.42 H new ATOM 0 HB3 SER A 150 7.543 18.977 46.274 1.00 14.42 H new ATOM 0 HG SER A 150 8.585 20.605 45.427 1.00 14.45 H new ATOM 973 N LEU A 151 11.727 19.230 47.337 1.00 12.17 N ATOM 974 CA LEU A 151 13.130 18.888 47.126 1.00 11.26 C ATOM 975 C LEU A 151 13.876 18.833 48.460 1.00 10.64 C ATOM 976 O LEU A 151 15.069 18.547 48.502 1.00 12.09 O ATOM 977 CB LEU A 151 13.810 19.890 46.183 1.00 10.33 C ATOM 978 CG LEU A 151 13.534 19.706 44.687 1.00 10.76 C ATOM 979 CD1 LEU A 151 14.268 20.782 43.891 1.00 8.52 C ATOM 980 CD2 LEU A 151 13.995 18.320 44.244 1.00 11.23 C ATOM 0 H LEU A 151 11.594 20.007 47.681 1.00 12.17 H new ATOM 0 HA LEU A 151 13.161 18.012 46.712 1.00 11.26 H new ATOM 0 HB2 LEU A 151 13.532 20.784 46.437 1.00 10.33 H new ATOM 0 HB3 LEU A 151 14.768 19.840 46.325 1.00 10.33 H new ATOM 0 HG LEU A 151 12.581 19.788 44.524 1.00 10.76 H new ATOM 0 HD11 LEU A 151 14.091 20.662 42.945 1.00 8.52 H new ATOM 0 HD12 LEU A 151 13.958 21.658 44.169 1.00 8.52 H new ATOM 0 HD13 LEU A 151 15.222 20.710 44.053 1.00 8.52 H new ATOM 0 HD21 LEU A 151 13.819 18.207 43.297 1.00 11.23 H new ATOM 0 HD22 LEU A 151 14.946 18.227 44.409 1.00 11.23 H new ATOM 0 HD23 LEU A 151 13.513 17.643 44.745 1.00 11.23 H new ATOM 981 N THR A 152 13.170 19.102 49.554 1.00 11.82 N ATOM 982 CA THR A 152 13.793 19.057 50.873 1.00 11.72 C ATOM 983 C THR A 152 14.366 17.663 51.099 1.00 10.91 C ATOM 984 O THR A 152 13.694 16.661 50.848 1.00 11.58 O ATOM 985 CB THR A 152 12.774 19.348 51.992 1.00 13.29 C ATOM 986 OG1 THR A 152 12.084 20.573 51.709 1.00 13.63 O ATOM 987 CG2 THR A 152 13.487 19.468 53.339 1.00 13.73 C ATOM 0 H THR A 152 12.336 19.311 49.555 1.00 11.82 H new ATOM 0 HA THR A 152 14.487 19.734 50.902 1.00 11.72 H new ATOM 0 HB THR A 152 12.138 18.617 52.034 1.00 13.29 H new ATOM 0 HG1 THR A 152 12.497 21.215 52.060 1.00 13.63 H new ATOM 0 HG21 THR A 152 12.836 19.651 54.035 1.00 13.73 H new ATOM 0 HG22 THR A 152 13.947 18.637 53.537 1.00 13.73 H new ATOM 0 HG23 THR A 152 14.131 20.192 53.301 1.00 13.73 H new ATOM 988 N GLY A 153 15.611 17.595 51.559 1.00 10.95 N ATOM 989 CA GLY A 153 16.228 16.304 51.808 1.00 9.91 C ATOM 990 C GLY A 153 16.764 15.616 50.563 1.00 9.36 C ATOM 991 O GLY A 153 17.345 14.533 50.653 1.00 9.49 O ATOM 0 H GLY A 153 16.107 18.276 51.731 1.00 10.95 H new ATOM 0 HA2 GLY A 153 16.956 16.421 52.438 1.00 9.91 H new ATOM 0 HA3 GLY A 153 15.577 15.722 52.231 1.00 9.91 H new ATOM 992 N LYS A 154 16.574 16.239 49.403 1.00 9.34 N ATOM 993 CA LYS A 154 17.045 15.669 48.139 1.00 9.35 C ATOM 994 C LYS A 154 18.226 16.470 47.600 1.00 8.20 C ATOM 995 O LYS A 154 18.296 17.680 47.793 1.00 9.82 O ATOM 996 CB LYS A 154 15.911 15.655 47.107 1.00 10.04 C ATOM 997 CG LYS A 154 14.741 14.742 47.467 1.00 11.62 C ATOM 998 CD LYS A 154 13.563 14.975 46.528 1.00 12.74 C ATOM 999 CE LYS A 154 12.379 14.080 46.863 1.00 14.22 C ATOM 1000 NZ LYS A 154 11.226 14.349 45.946 1.00 14.55 N ATOM 0 H LYS A 154 16.173 16.996 49.324 1.00 9.34 H new ATOM 0 HA LYS A 154 17.334 14.758 48.303 1.00 9.35 H new ATOM 0 HB2 LYS A 154 15.579 16.559 46.996 1.00 10.04 H new ATOM 0 HB3 LYS A 154 16.272 15.378 46.250 1.00 10.04 H new ATOM 0 HG2 LYS A 154 15.022 13.815 47.417 1.00 11.62 H new ATOM 0 HG3 LYS A 154 14.467 14.906 48.383 1.00 11.62 H new ATOM 0 HD2 LYS A 154 13.289 15.904 46.579 1.00 12.74 H new ATOM 0 HD3 LYS A 154 13.842 14.811 45.614 1.00 12.74 H new ATOM 0 HE2 LYS A 154 12.643 13.149 46.792 1.00 14.22 H new ATOM 0 HE3 LYS A 154 12.107 14.228 47.782 1.00 14.22 H new ATOM 0 HZ1 LYS A 154 10.532 13.847 46.187 1.00 14.55 H new ATOM 0 HZ2 LYS A 154 11.001 15.209 45.995 1.00 14.55 H new ATOM 0 HZ3 LYS A 154 11.459 14.151 45.110 1.00 14.55 H new ATOM 1001 N PRO A 155 19.176 15.802 46.920 1.00 8.26 N ATOM 1002 CA PRO A 155 20.345 16.496 46.373 1.00 8.35 C ATOM 1003 C PRO A 155 20.023 17.497 45.270 1.00 9.93 C ATOM 1004 O PRO A 155 19.342 17.174 44.295 1.00 9.56 O ATOM 1005 CB PRO A 155 21.233 15.350 45.886 1.00 9.44 C ATOM 1006 CG PRO A 155 20.249 14.290 45.524 1.00 8.75 C ATOM 1007 CD PRO A 155 19.265 14.354 46.669 1.00 7.59 C ATOM 0 HA PRO A 155 20.771 17.059 47.038 1.00 8.35 H new ATOM 0 HB2 PRO A 155 21.773 15.613 45.124 1.00 9.44 H new ATOM 0 HB3 PRO A 155 21.844 15.051 46.577 1.00 9.44 H new ATOM 0 HG2 PRO A 155 19.823 14.469 44.671 1.00 8.75 H new ATOM 0 HG3 PRO A 155 20.667 13.417 45.455 1.00 8.75 H new ATOM 0 HD2 PRO A 155 18.405 13.974 46.430 1.00 7.59 H new ATOM 0 HD3 PRO A 155 19.582 13.870 47.447 1.00 7.59 H new ATOM 1008 N LYS A 156 20.512 18.719 45.453 1.00 10.32 N ATOM 1009 CA LYS A 156 20.315 19.799 44.496 1.00 9.46 C ATOM 1010 C LYS A 156 21.709 20.147 43.989 1.00 10.21 C ATOM 1011 O LYS A 156 22.536 20.695 44.725 1.00 9.80 O ATOM 1012 CB LYS A 156 19.652 20.989 45.195 1.00 10.39 C ATOM 1013 CG LYS A 156 18.247 20.667 45.709 1.00 11.29 C ATOM 1014 CD LYS A 156 17.727 21.717 46.686 1.00 13.09 C ATOM 1015 CE LYS A 156 18.176 21.438 48.115 1.00 13.32 C ATOM 1016 NZ LYS A 156 17.495 20.248 48.710 1.00 12.09 N ATOM 0 H LYS A 156 20.972 18.946 46.143 1.00 10.32 H new ATOM 0 HA LYS A 156 19.734 19.550 43.760 1.00 9.46 H new ATOM 0 HB2 LYS A 156 20.207 21.272 45.938 1.00 10.39 H new ATOM 0 HB3 LYS A 156 19.603 21.735 44.577 1.00 10.39 H new ATOM 0 HG2 LYS A 156 17.638 20.600 44.957 1.00 11.29 H new ATOM 0 HG3 LYS A 156 18.256 19.800 46.145 1.00 11.29 H new ATOM 0 HD2 LYS A 156 18.041 22.594 46.415 1.00 13.09 H new ATOM 0 HD3 LYS A 156 16.758 21.739 46.651 1.00 13.09 H new ATOM 0 HE2 LYS A 156 19.136 21.297 48.127 1.00 13.32 H new ATOM 0 HE3 LYS A 156 17.997 22.217 48.665 1.00 13.32 H new ATOM 0 HZ1 LYS A 156 17.601 20.256 49.594 1.00 12.09 H new ATOM 0 HZ2 LYS A 156 16.627 20.275 48.516 1.00 12.09 H new ATOM 0 HZ3 LYS A 156 17.851 19.504 48.375 1.00 12.09 H new ATOM 1017 N LEU A 157 21.964 19.816 42.727 1.00 8.52 N ATOM 1018 CA LEU A 157 23.274 20.026 42.130 1.00 9.99 C ATOM 1019 C LEU A 157 23.359 21.149 41.111 1.00 10.35 C ATOM 1020 O LEU A 157 22.581 21.208 40.156 1.00 9.40 O ATOM 1021 CB LEU A 157 23.747 18.724 41.469 1.00 10.70 C ATOM 1022 CG LEU A 157 23.456 17.424 42.230 1.00 13.96 C ATOM 1023 CD1 LEU A 157 23.883 16.234 41.378 1.00 15.90 C ATOM 1024 CD2 LEU A 157 24.183 17.421 43.562 1.00 15.78 C ATOM 0 H LEU A 157 21.385 19.465 42.197 1.00 8.52 H new ATOM 0 HA LEU A 157 23.845 20.296 42.866 1.00 9.99 H new ATOM 0 HB2 LEU A 157 23.335 18.661 40.593 1.00 10.70 H new ATOM 0 HB3 LEU A 157 24.705 18.786 41.329 1.00 10.70 H new ATOM 0 HG LEU A 157 22.505 17.359 42.408 1.00 13.96 H new ATOM 0 HD11 LEU A 157 23.700 15.411 41.857 1.00 15.90 H new ATOM 0 HD12 LEU A 157 23.388 16.239 40.544 1.00 15.90 H new ATOM 0 HD13 LEU A 157 24.833 16.294 41.190 1.00 15.90 H new ATOM 0 HD21 LEU A 157 23.992 16.595 44.033 1.00 15.78 H new ATOM 0 HD22 LEU A 157 25.138 17.492 43.410 1.00 15.78 H new ATOM 0 HD23 LEU A 157 23.884 18.174 44.096 1.00 15.78 H new ATOM 1025 N PHE A 158 24.329 22.033 41.317 1.00 10.73 N ATOM 1026 CA PHE A 158 24.556 23.145 40.411 1.00 9.05 C ATOM 1027 C PHE A 158 25.960 23.035 39.822 1.00 10.93 C ATOM 1028 O PHE A 158 26.964 23.126 40.536 1.00 9.75 O ATOM 1029 CB PHE A 158 24.357 24.476 41.144 1.00 9.91 C ATOM 1030 CG PHE A 158 22.931 24.721 41.559 1.00 10.13 C ATOM 1031 CD1 PHE A 158 22.391 24.073 42.667 1.00 9.13 C ATOM 1032 CD2 PHE A 158 22.101 25.539 40.795 1.00 10.27 C ATOM 1033 CE1 PHE A 158 21.046 24.231 43.006 1.00 10.68 C ATOM 1034 CE2 PHE A 158 20.747 25.704 41.126 1.00 9.84 C ATOM 1035 CZ PHE A 158 20.221 25.048 42.232 1.00 8.29 C ATOM 0 H PHE A 158 24.871 22.003 41.984 1.00 10.73 H new ATOM 0 HA PHE A 158 23.914 23.114 39.685 1.00 9.05 H new ATOM 0 HB2 PHE A 158 24.923 24.492 41.931 1.00 9.91 H new ATOM 0 HB3 PHE A 158 24.649 25.201 40.570 1.00 9.91 H new ATOM 0 HD1 PHE A 158 22.934 23.527 43.189 1.00 9.13 H new ATOM 0 HD2 PHE A 158 22.449 25.982 40.055 1.00 10.27 H new ATOM 0 HE1 PHE A 158 20.699 23.791 43.749 1.00 10.68 H new ATOM 0 HE2 PHE A 158 20.203 26.251 40.606 1.00 9.84 H new ATOM 0 HZ PHE A 158 19.324 25.153 42.455 1.00 8.29 H new ATOM 1036 N ILE A 159 26.011 22.810 38.511 1.00 9.40 N ATOM 1037 CA ILE A 159 27.265 22.665 37.774 1.00 10.74 C ATOM 1038 C ILE A 159 27.525 24.000 37.090 1.00 9.59 C ATOM 1039 O ILE A 159 26.747 24.422 36.236 1.00 9.53 O ATOM 1040 CB ILE A 159 27.145 21.554 36.701 1.00 10.73 C ATOM 1041 CG1 ILE A 159 26.626 20.263 37.340 1.00 15.40 C ATOM 1042 CG2 ILE A 159 28.490 21.327 36.025 1.00 12.84 C ATOM 1043 CD1 ILE A 159 27.522 19.684 38.402 1.00 21.54 C ATOM 0 H ILE A 159 25.310 22.736 38.018 1.00 9.40 H new ATOM 0 HA ILE A 159 27.986 22.421 38.375 1.00 10.74 H new ATOM 0 HB ILE A 159 26.511 21.834 36.022 1.00 10.73 H new ATOM 0 HG12 ILE A 159 25.754 20.436 37.728 1.00 15.40 H new ATOM 0 HG13 ILE A 159 26.499 19.600 36.644 1.00 15.40 H new ATOM 0 HG21 ILE A 159 28.403 20.630 35.356 1.00 12.84 H new ATOM 0 HG22 ILE A 159 28.781 22.149 35.599 1.00 12.84 H new ATOM 0 HG23 ILE A 159 29.144 21.058 36.688 1.00 12.84 H new ATOM 0 HD11 ILE A 159 27.124 18.873 38.754 1.00 21.54 H new ATOM 0 HD12 ILE A 159 28.388 19.478 38.018 1.00 21.54 H new ATOM 0 HD13 ILE A 159 27.632 20.328 39.119 1.00 21.54 H new ATOM 1044 N ILE A 160 28.625 24.655 37.447 1.00 9.42 N ATOM 1045 CA ILE A 160 28.906 25.973 36.894 1.00 8.91 C ATOM 1046 C ILE A 160 30.178 26.128 36.073 1.00 9.60 C ATOM 1047 O ILE A 160 31.289 26.007 36.592 1.00 7.89 O ATOM 1048 CB ILE A 160 28.938 27.042 38.016 1.00 11.69 C ATOM 1049 CG1 ILE A 160 27.641 27.002 38.825 1.00 13.99 C ATOM 1050 CG2 ILE A 160 29.115 28.427 37.419 1.00 9.89 C ATOM 1051 CD1 ILE A 160 27.650 25.991 39.937 1.00 22.49 C ATOM 0 H ILE A 160 29.213 24.359 38.000 1.00 9.42 H new ATOM 0 HA ILE A 160 28.173 26.098 36.271 1.00 8.91 H new ATOM 0 HB ILE A 160 29.687 26.847 38.601 1.00 11.69 H new ATOM 0 HG12 ILE A 160 27.477 27.881 39.200 1.00 13.99 H new ATOM 0 HG13 ILE A 160 26.903 26.806 38.227 1.00 13.99 H new ATOM 0 HG21 ILE A 160 29.133 29.086 38.130 1.00 9.89 H new ATOM 0 HG22 ILE A 160 29.949 28.462 36.924 1.00 9.89 H new ATOM 0 HG23 ILE A 160 28.376 28.618 36.820 1.00 9.89 H new ATOM 0 HD11 ILE A 160 26.802 26.019 40.407 1.00 22.49 H new ATOM 0 HD12 ILE A 160 27.786 25.104 39.568 1.00 22.49 H new ATOM 0 HD13 ILE A 160 28.368 26.196 40.556 1.00 22.49 H new ATOM 1052 N GLN A 161 29.996 26.403 34.785 1.00 7.85 N ATOM 1053 CA GLN A 161 31.106 26.638 33.873 1.00 9.43 C ATOM 1054 C GLN A 161 31.111 28.148 33.654 1.00 8.64 C ATOM 1055 O GLN A 161 30.322 28.669 32.871 1.00 10.26 O ATOM 1056 CB GLN A 161 30.881 25.907 32.544 1.00 8.95 C ATOM 1057 CG GLN A 161 31.849 26.309 31.425 1.00 11.12 C ATOM 1058 CD GLN A 161 33.304 26.326 31.867 1.00 10.21 C ATOM 1059 OE1 GLN A 161 33.785 25.389 32.503 1.00 12.49 O ATOM 1060 NE2 GLN A 161 34.017 27.391 31.514 1.00 13.58 N ATOM 0 H GLN A 161 29.221 26.458 34.416 1.00 7.85 H new ATOM 0 HA GLN A 161 31.947 26.312 34.229 1.00 9.43 H new ATOM 0 HB2 GLN A 161 30.959 24.952 32.696 1.00 8.95 H new ATOM 0 HB3 GLN A 161 29.973 26.074 32.246 1.00 8.95 H new ATOM 0 HG2 GLN A 161 31.750 25.692 30.683 1.00 11.12 H new ATOM 0 HG3 GLN A 161 31.607 27.189 31.097 1.00 11.12 H new ATOM 0 HE21 GLN A 161 33.648 28.028 31.069 1.00 13.58 H new ATOM 0 HE22 GLN A 161 34.848 27.443 31.730 1.00 13.58 H new ATOM 1061 N ALA A 162 31.991 28.839 34.371 1.00 9.16 N ATOM 1062 CA ALA A 162 32.105 30.294 34.294 1.00 9.64 C ATOM 1063 C ALA A 162 33.314 30.740 35.106 1.00 11.52 C ATOM 1064 O ALA A 162 33.757 30.030 36.009 1.00 9.65 O ATOM 1065 CB ALA A 162 30.844 30.943 34.857 1.00 9.55 C ATOM 0 H ALA A 162 32.544 28.475 34.920 1.00 9.16 H new ATOM 0 HA ALA A 162 32.212 30.563 33.368 1.00 9.64 H new ATOM 0 HB1 ALA A 162 30.925 31.908 34.803 1.00 9.55 H new ATOM 0 HB2 ALA A 162 30.074 30.655 34.342 1.00 9.55 H new ATOM 0 HB3 ALA A 162 30.730 30.679 35.784 1.00 9.55 H new ATOM 1066 N CYS A 163 33.851 31.913 34.783 1.00 12.38 N ATOM 1067 CA CYS A 163 34.992 32.438 35.523 1.00 12.77 C ATOM 1068 C CYS A 163 34.542 32.768 36.934 1.00 13.01 C ATOM 1069 O CYS A 163 33.354 32.982 37.180 1.00 11.68 O ATOM 1070 CB CYS A 163 35.528 33.720 34.879 1.00 16.25 C ATOM 1071 SG CYS A 163 36.385 33.493 33.306 1.00 20.21 S ATOM 0 H CYS A 163 33.572 32.416 34.144 1.00 12.38 H new ATOM 0 HA CYS A 163 35.694 31.769 35.521 1.00 12.77 H new ATOM 0 HB2 CYS A 163 34.786 34.330 34.741 1.00 16.25 H new ATOM 0 HB3 CYS A 163 36.135 34.148 35.503 1.00 16.25 H new ATOM 1072 N ARG A 164 35.500 32.812 37.854 1.00 10.98 N ATOM 1073 CA ARG A 164 35.219 33.152 39.243 1.00 11.42 C ATOM 1074 C ARG A 164 36.189 34.263 39.641 1.00 11.33 C ATOM 1075 O ARG A 164 36.400 34.535 40.821 1.00 12.39 O ATOM 1076 CB ARG A 164 35.410 31.926 40.139 1.00 10.26 C ATOM 1077 CG ARG A 164 34.422 30.790 39.854 1.00 12.09 C ATOM 1078 CD ARG A 164 34.645 29.609 40.789 1.00 9.58 C ATOM 1079 NE ARG A 164 34.244 29.907 42.161 1.00 12.20 N ATOM 1080 CZ ARG A 164 34.462 29.103 43.199 1.00 12.04 C ATOM 1081 NH1 ARG A 164 35.083 27.942 43.032 1.00 10.93 N ATOM 1082 NH2 ARG A 164 34.058 29.461 44.412 1.00 14.48 N ATOM 0 H ARG A 164 36.328 32.646 37.691 1.00 10.98 H new ATOM 0 HA ARG A 164 34.301 33.448 39.346 1.00 11.42 H new ATOM 0 HB2 ARG A 164 36.314 31.592 40.028 1.00 10.26 H new ATOM 0 HB3 ARG A 164 35.320 32.197 41.066 1.00 10.26 H new ATOM 0 HG2 ARG A 164 33.514 31.116 39.954 1.00 12.09 H new ATOM 0 HG3 ARG A 164 34.519 30.499 38.934 1.00 12.09 H new ATOM 0 HD2 ARG A 164 34.143 28.844 40.466 1.00 9.58 H new ATOM 0 HD3 ARG A 164 35.582 29.360 40.775 1.00 9.58 H new ATOM 0 HE ARG A 164 33.840 30.652 42.308 1.00 12.20 H new ATOM 0 HH11 ARG A 164 35.348 27.705 42.249 1.00 10.93 H new ATOM 0 HH12 ARG A 164 35.221 27.427 43.707 1.00 10.93 H new ATOM 0 HH21 ARG A 164 33.656 30.212 44.527 1.00 14.48 H new ATOM 0 HH22 ARG A 164 34.199 28.942 45.083 1.00 14.48 H new ATOM 1083 N GLY A 165 36.777 34.899 38.632 1.00 12.15 N ATOM 1084 CA GLY A 165 37.737 35.961 38.871 1.00 12.82 C ATOM 1085 C GLY A 165 38.692 36.106 37.698 1.00 13.40 C ATOM 1086 O GLY A 165 38.448 35.560 36.618 1.00 14.98 O ATOM 0 H GLY A 165 36.631 34.728 37.802 1.00 12.15 H new ATOM 0 HA2 GLY A 165 37.269 36.798 39.017 1.00 12.82 H new ATOM 0 HA3 GLY A 165 38.239 35.772 39.679 1.00 12.82 H new ATOM 1087 N THR A 166 39.785 36.832 37.908 1.00 13.67 N ATOM 1088 CA THR A 166 40.764 37.051 36.850 1.00 15.08 C ATOM 1089 C THR A 166 42.157 36.500 37.155 1.00 15.83 C ATOM 1090 O THR A 166 43.142 36.939 36.565 1.00 16.42 O ATOM 1091 CB THR A 166 40.904 38.554 36.530 1.00 13.99 C ATOM 1092 OG1 THR A 166 41.264 39.266 37.719 1.00 15.94 O ATOM 1093 CG2 THR A 166 39.598 39.105 35.980 1.00 14.38 C ATOM 0 H THR A 166 39.978 37.207 38.657 1.00 13.67 H new ATOM 0 HA THR A 166 40.414 36.560 36.090 1.00 15.08 H new ATOM 0 HB THR A 166 41.596 38.667 35.860 1.00 13.99 H new ATOM 0 HG1 THR A 166 42.097 39.234 37.824 1.00 15.94 H new ATOM 0 HG21 THR A 166 39.702 40.049 35.784 1.00 14.38 H new ATOM 0 HG22 THR A 166 39.363 38.631 35.167 1.00 14.38 H new ATOM 0 HG23 THR A 166 38.895 38.987 36.637 1.00 14.38 H new ATOM 1094 N GLU A 167 42.252 35.550 38.076 1.00 14.96 N ATOM 1095 CA GLU A 167 43.555 34.976 38.390 1.00 15.59 C ATOM 1096 C GLU A 167 43.878 33.857 37.401 1.00 12.86 C ATOM 1097 O GLU A 167 42.978 33.178 36.906 1.00 13.64 O ATOM 1098 CB GLU A 167 43.574 34.428 39.820 1.00 18.05 C ATOM 1099 CG GLU A 167 43.418 35.491 40.891 1.00 20.90 C ATOM 1100 CD GLU A 167 43.567 34.931 42.289 1.00 22.58 C ATOM 1101 OE1 GLU A 167 44.644 34.378 42.598 1.00 21.47 O ATOM 1102 OE2 GLU A 167 42.607 35.044 43.081 1.00 27.54 O ATOM 0 H GLU A 167 41.591 35.229 38.522 1.00 14.96 H new ATOM 0 HA GLU A 167 44.226 35.673 38.319 1.00 15.59 H new ATOM 0 HB2 GLU A 167 42.861 33.778 39.917 1.00 18.05 H new ATOM 0 HB3 GLU A 167 44.409 33.957 39.965 1.00 18.05 H new ATOM 0 HG2 GLU A 167 44.080 36.186 40.752 1.00 20.90 H new ATOM 0 HG3 GLU A 167 42.547 35.908 40.804 1.00 20.90 H new ATOM 1103 N LEU A 168 45.163 33.688 37.109 1.00 13.34 N ATOM 1104 CA LEU A 168 45.628 32.651 36.191 1.00 14.83 C ATOM 1105 C LEU A 168 46.588 31.728 36.933 1.00 13.46 C ATOM 1106 O LEU A 168 47.379 32.176 37.761 1.00 16.06 O ATOM 1107 CB LEU A 168 46.332 33.284 34.985 1.00 15.53 C ATOM 1108 CG LEU A 168 45.427 34.020 33.989 1.00 17.73 C ATOM 1109 CD1 LEU A 168 46.259 34.856 33.033 1.00 18.75 C ATOM 1110 CD2 LEU A 168 44.589 33.005 33.227 1.00 17.19 C ATOM 0 H LEU A 168 45.793 34.172 37.438 1.00 13.34 H new ATOM 0 HA LEU A 168 44.869 32.141 35.867 1.00 14.83 H new ATOM 0 HB2 LEU A 168 46.998 33.909 35.313 1.00 15.53 H new ATOM 0 HB3 LEU A 168 46.808 32.586 34.508 1.00 15.53 H new ATOM 0 HG LEU A 168 44.837 34.619 34.473 1.00 17.73 H new ATOM 0 HD11 LEU A 168 45.674 35.315 32.410 1.00 18.75 H new ATOM 0 HD12 LEU A 168 46.771 35.509 33.535 1.00 18.75 H new ATOM 0 HD13 LEU A 168 46.865 34.279 32.542 1.00 18.75 H new ATOM 0 HD21 LEU A 168 44.015 33.467 32.596 1.00 17.19 H new ATOM 0 HD22 LEU A 168 45.173 32.398 32.747 1.00 17.19 H new ATOM 0 HD23 LEU A 168 44.043 32.502 33.851 1.00 17.19 H new ATOM 1111 N ASP A 169 46.510 30.436 36.644 1.00 13.73 N ATOM 1112 CA ASP A 169 47.367 29.455 37.305 1.00 12.82 C ATOM 1113 C ASP A 169 48.552 29.102 36.404 1.00 13.28 C ATOM 1114 O ASP A 169 48.378 28.468 35.361 1.00 11.45 O ATOM 1115 CB ASP A 169 46.553 28.197 37.619 1.00 12.27 C ATOM 1116 CG ASP A 169 47.250 27.280 38.604 1.00 13.00 C ATOM 1117 OD1 ASP A 169 48.445 26.997 38.408 1.00 15.06 O ATOM 1118 OD2 ASP A 169 46.596 26.838 39.574 1.00 12.68 O ATOM 0 H ASP A 169 45.966 30.103 36.067 1.00 13.73 H new ATOM 0 HA ASP A 169 47.707 29.832 38.132 1.00 12.82 H new ATOM 0 HB2 ASP A 169 45.690 28.456 37.979 1.00 12.27 H new ATOM 0 HB3 ASP A 169 46.383 27.712 36.796 1.00 12.27 H new ATOM 1119 N CYS A 170 49.751 29.511 36.816 1.00 14.14 N ATOM 1120 CA CYS A 170 50.970 29.257 36.045 1.00 15.48 C ATOM 1121 C CYS A 170 51.381 27.790 36.058 1.00 15.48 C ATOM 1122 O CYS A 170 52.176 27.354 35.219 1.00 13.22 O ATOM 1123 CB CYS A 170 52.124 30.100 36.589 1.00 16.89 C ATOM 1124 SG CYS A 170 52.584 29.692 38.289 1.00 19.91 S ATOM 0 H CYS A 170 49.882 29.943 37.548 1.00 14.14 H new ATOM 0 HA CYS A 170 50.772 29.502 35.128 1.00 15.48 H new ATOM 0 HB2 CYS A 170 52.898 29.983 36.016 1.00 16.89 H new ATOM 0 HB3 CYS A 170 51.878 31.037 36.545 1.00 16.89 H new ATOM 0 HG CYS A 170 52.934 28.545 38.345 1.00 19.91 H new ATOM 1125 N GLY A 171 50.843 27.038 37.014 1.00 13.59 N ATOM 1126 CA GLY A 171 51.165 25.625 37.122 1.00 13.62 C ATOM 1127 C GLY A 171 52.598 25.367 37.550 1.00 16.10 C ATOM 1128 O GLY A 171 53.401 26.295 37.654 1.00 15.16 O ATOM 0 H GLY A 171 50.291 27.328 37.607 1.00 13.59 H new ATOM 0 HA2 GLY A 171 50.564 25.211 37.760 1.00 13.62 H new ATOM 0 HA3 GLY A 171 51.008 25.197 36.266 1.00 13.62 H new ATOM 1129 N ILE A 172 52.916 24.100 37.804 1.00 16.69 N ATOM 1130 CA ILE A 172 54.262 23.706 38.209 1.00 17.95 C ATOM 1131 C ILE A 172 54.606 22.354 37.588 1.00 19.70 C ATOM 1132 O ILE A 172 53.761 21.459 37.517 1.00 16.01 O ATOM 1133 CB ILE A 172 54.384 23.626 39.758 1.00 18.84 C ATOM 1134 CG1 ILE A 172 55.773 23.113 40.156 1.00 18.40 C ATOM 1135 CG2 ILE A 172 53.291 22.744 40.326 1.00 16.68 C ATOM 1136 CD1 ILE A 172 56.907 24.040 39.745 1.00 20.01 C ATOM 0 H ILE A 172 52.359 23.447 37.747 1.00 16.69 H new ATOM 0 HA ILE A 172 54.886 24.379 37.895 1.00 17.95 H new ATOM 0 HB ILE A 172 54.275 24.516 40.129 1.00 18.84 H new ATOM 0 HG12 ILE A 172 55.800 22.988 41.118 1.00 18.40 H new ATOM 0 HG13 ILE A 172 55.915 22.242 39.753 1.00 18.40 H new ATOM 0 HG21 ILE A 172 53.378 22.702 41.291 1.00 16.68 H new ATOM 0 HG22 ILE A 172 52.424 23.113 40.095 1.00 16.68 H new ATOM 0 HG23 ILE A 172 53.370 21.851 39.956 1.00 16.68 H new ATOM 0 HD11 ILE A 172 57.754 23.659 40.025 1.00 20.01 H new ATOM 0 HD12 ILE A 172 56.904 24.148 38.781 1.00 20.01 H new ATOM 0 HD13 ILE A 172 56.787 24.905 40.167 1.00 20.01 H new ATOM 1137 N GLU A 173 55.847 22.226 37.118 1.00 24.05 N ATOM 1138 CA GLU A 173 56.327 20.996 36.485 1.00 29.50 C ATOM 1139 C GLU A 173 56.346 19.824 37.458 1.00 30.23 C ATOM 1140 O GLU A 173 56.805 19.959 38.591 1.00 30.04 O ATOM 1141 CB GLU A 173 57.748 21.184 35.943 1.00 33.21 C ATOM 1142 CG GLU A 173 57.961 22.378 35.026 1.00 39.94 C ATOM 1143 CD GLU A 173 57.140 22.312 33.753 1.00 43.80 C ATOM 1144 OE1 GLU A 173 57.110 21.240 33.109 1.00 47.10 O ATOM 1145 OE2 GLU A 173 56.536 23.343 33.390 1.00 45.53 O ATOM 0 H GLU A 173 56.436 22.852 37.157 1.00 24.05 H new ATOM 0 HA GLU A 173 55.710 20.801 35.762 1.00 29.50 H new ATOM 0 HB2 GLU A 173 58.354 21.265 36.696 1.00 33.21 H new ATOM 0 HB3 GLU A 173 58.000 20.380 35.462 1.00 33.21 H new ATOM 0 HG2 GLU A 173 57.737 23.190 35.506 1.00 39.94 H new ATOM 0 HG3 GLU A 173 58.901 22.436 34.794 1.00 39.94 H new ATOM 1146 N THR A 174 55.868 18.670 37.004 1.00 31.82 N ATOM 1147 CA THR A 174 55.847 17.475 37.840 1.00 35.10 C ATOM 1148 C THR A 174 56.922 16.477 37.422 1.00 36.53 C ATOM 1149 O THR A 174 57.592 16.729 36.399 1.00 38.41 O ATOM 1150 CB THR A 174 54.486 16.766 37.774 1.00 36.13 C ATOM 1151 OG1 THR A 174 54.064 16.665 36.408 1.00 37.87 O ATOM 1152 CG2 THR A 174 53.455 17.524 38.584 1.00 35.84 C ATOM 0 H THR A 174 55.550 18.558 36.213 1.00 31.82 H new ATOM 0 HA THR A 174 56.017 17.777 38.746 1.00 35.10 H new ATOM 0 HB THR A 174 54.575 15.876 38.149 1.00 36.13 H new ATOM 0 HG1 THR A 174 53.320 16.276 36.372 1.00 37.87 H new ATOM 0 HG21 THR A 174 52.602 17.065 38.533 1.00 35.84 H new ATOM 0 HG22 THR A 174 53.741 17.571 39.510 1.00 35.84 H new ATOM 0 HG23 THR A 174 53.360 18.422 38.229 1.00 35.84 H new ATOM 1153 N ASP A 175 57.073 15.455 38.126 1.00 39.15 N TER 1154 ASP A 175 ATOM 1155 N ALA B 175 25.605 12.706 78.677 1.00 31.59 N ATOM 1156 CA ALA B 175 25.771 14.173 78.464 1.00 31.65 C ATOM 1157 C ALA B 175 24.476 14.824 77.983 1.00 30.68 C ATOM 1158 O ALA B 175 23.587 14.157 77.449 1.00 31.04 O ATOM 1159 CB ALA B 175 26.884 14.426 77.455 1.00 33.03 C ATOM 0 HA ALA B 175 26.005 14.573 79.316 1.00 31.65 H new ATOM 0 HB1 ALA B 175 26.988 15.381 77.320 1.00 33.03 H new ATOM 0 HB2 ALA B 175 27.715 14.055 77.790 1.00 33.03 H new ATOM 0 HB3 ALA B 175 26.659 14.003 76.611 1.00 33.03 H new ATOM 1160 N SER B 176 24.380 16.135 78.185 1.00 29.57 N ATOM 1161 CA SER B 176 23.211 16.909 77.780 1.00 27.28 C ATOM 1162 C SER B 176 23.637 18.345 77.500 1.00 27.57 C ATOM 1163 O SER B 176 24.623 18.828 78.061 1.00 27.14 O ATOM 1164 CB SER B 176 22.143 16.888 78.880 1.00 26.52 C ATOM 1165 OG SER B 176 22.623 17.456 80.088 1.00 21.87 O ATOM 0 H SER B 176 24.995 16.603 78.563 1.00 29.57 H new ATOM 0 HA SER B 176 22.832 16.516 76.979 1.00 27.28 H new ATOM 0 HB2 SER B 176 21.360 17.377 78.581 1.00 26.52 H new ATOM 0 HB3 SER B 176 21.862 15.974 79.041 1.00 26.52 H new ATOM 0 HG SER B 176 23.052 16.877 80.519 1.00 21.87 H new ATOM 1166 N GLY B 177 22.892 19.022 76.631 1.00 26.80 N ATOM 1167 CA GLY B 177 23.221 20.393 76.294 1.00 25.82 C ATOM 1168 C GLY B 177 22.047 21.177 75.738 1.00 24.78 C ATOM 1169 O GLY B 177 20.983 20.625 75.464 1.00 25.17 O ATOM 0 H GLY B 177 22.199 18.706 76.231 1.00 26.80 H new ATOM 0 HA2 GLY B 177 23.555 20.842 77.086 1.00 25.82 H new ATOM 0 HA3 GLY B 177 23.940 20.395 75.643 1.00 25.82 H new ATOM 1170 N VAL B 178 22.253 22.474 75.557 1.00 24.98 N ATOM 1171 CA VAL B 178 21.212 23.359 75.051 1.00 23.90 C ATOM 1172 C VAL B 178 21.049 23.330 73.531 1.00 23.52 C ATOM 1173 O VAL B 178 20.017 23.748 73.010 1.00 24.91 O ATOM 1174 CB VAL B 178 21.498 24.817 75.459 1.00 23.34 C ATOM 1175 CG1 VAL B 178 21.708 24.905 76.957 1.00 20.89 C ATOM 1176 CG2 VAL B 178 22.733 25.331 74.719 1.00 23.00 C ATOM 0 H VAL B 178 23.000 22.867 75.724 1.00 24.98 H new ATOM 0 HA VAL B 178 20.391 23.028 75.447 1.00 23.90 H new ATOM 0 HB VAL B 178 20.737 25.369 75.219 1.00 23.34 H new ATOM 0 HG11 VAL B 178 21.887 25.825 77.205 1.00 20.89 H new ATOM 0 HG12 VAL B 178 20.910 24.597 77.414 1.00 20.89 H new ATOM 0 HG13 VAL B 178 22.461 24.349 77.212 1.00 20.89 H new ATOM 0 HG21 VAL B 178 22.908 26.249 74.980 1.00 23.00 H new ATOM 0 HG22 VAL B 178 23.498 24.780 74.945 1.00 23.00 H new ATOM 0 HG23 VAL B 178 22.577 25.291 73.762 1.00 23.00 H new ATOM 1177 N ASP B 179 22.057 22.832 72.821 1.00 23.82 N ATOM 1178 CA ASP B 179 22.005 22.815 71.362 1.00 24.53 C ATOM 1179 C ASP B 179 21.945 21.458 70.664 1.00 25.34 C ATOM 1180 O ASP B 179 22.323 21.349 69.497 1.00 23.49 O ATOM 1181 CB ASP B 179 23.193 23.602 70.801 1.00 21.14 C ATOM 1182 CG ASP B 179 24.524 23.113 71.340 1.00 21.00 C ATOM 1183 OD1 ASP B 179 24.678 21.890 71.528 1.00 19.40 O ATOM 1184 OD2 ASP B 179 25.423 23.951 71.562 1.00 21.90 O ATOM 0 H ASP B 179 22.775 22.502 73.161 1.00 23.82 H new ATOM 0 HA ASP B 179 21.145 23.219 71.166 1.00 24.53 H new ATOM 0 HB2 ASP B 179 23.195 23.533 69.833 1.00 21.14 H new ATOM 0 HB3 ASP B 179 23.086 24.541 71.018 1.00 21.14 H new ATOM 1185 N ASP B 180 21.465 20.427 71.351 1.00 28.26 N ATOM 1186 CA ASP B 180 21.394 19.110 70.728 1.00 30.28 C ATOM 1187 C ASP B 180 20.103 18.365 71.047 1.00 30.59 C ATOM 1188 O ASP B 180 19.391 18.699 71.994 1.00 30.25 O ATOM 1189 CB ASP B 180 22.583 18.252 71.169 1.00 32.80 C ATOM 1190 CG ASP B 180 22.408 17.697 72.571 1.00 34.81 C ATOM 1191 OD1 ASP B 180 22.251 18.499 73.514 1.00 37.62 O ATOM 1192 OD2 ASP B 180 22.419 16.458 72.728 1.00 37.96 O ATOM 0 H ASP B 180 21.181 20.466 72.162 1.00 28.26 H new ATOM 0 HA ASP B 180 21.417 19.262 69.770 1.00 30.28 H new ATOM 0 HB2 ASP B 180 22.698 17.518 70.545 1.00 32.80 H new ATOM 0 HB3 ASP B 180 23.393 18.784 71.133 1.00 32.80 H new ATOM 1193 N ASP B 181 19.817 17.351 70.234 1.00 30.82 N ATOM 1194 CA ASP B 181 18.641 16.504 70.402 1.00 31.08 C ATOM 1195 C ASP B 181 17.326 17.273 70.546 1.00 29.34 C ATOM 1196 O ASP B 181 16.620 17.132 71.543 1.00 28.64 O ATOM 1197 CB ASP B 181 18.856 15.582 71.609 1.00 32.64 C ATOM 1198 CG ASP B 181 17.893 14.409 71.631 1.00 35.60 C ATOM 1199 OD1 ASP B 181 17.531 13.913 70.542 1.00 38.02 O ATOM 1200 OD2 ASP B 181 17.515 13.968 72.737 1.00 35.86 O ATOM 0 H ASP B 181 20.307 17.134 69.561 1.00 30.82 H new ATOM 0 HA ASP B 181 18.548 15.990 69.585 1.00 31.08 H new ATOM 0 HB2 ASP B 181 19.766 15.248 71.597 1.00 32.64 H new ATOM 0 HB3 ASP B 181 18.753 16.095 72.426 1.00 32.64 H new ATOM 1201 N MET B 182 16.999 18.080 69.542 1.00 28.35 N ATOM 1202 CA MET B 182 15.762 18.858 69.555 1.00 28.84 C ATOM 1203 C MET B 182 14.561 17.941 69.359 1.00 28.14 C ATOM 1204 O MET B 182 14.629 16.973 68.600 1.00 26.36 O ATOM 1205 CB MET B 182 15.774 19.902 68.436 1.00 29.79 C ATOM 1206 CG MET B 182 16.741 21.053 68.648 1.00 31.69 C ATOM 1207 SD MET B 182 16.284 22.078 70.054 1.00 35.25 S ATOM 1208 CE MET B 182 17.363 21.399 71.327 1.00 32.83 C ATOM 0 H MET B 182 17.482 18.192 68.839 1.00 28.35 H new ATOM 0 HA MET B 182 15.697 19.305 70.414 1.00 28.84 H new ATOM 0 HB2 MET B 182 15.995 19.460 67.601 1.00 29.79 H new ATOM 0 HB3 MET B 182 14.879 20.262 68.338 1.00 29.79 H new ATOM 0 HG2 MET B 182 17.635 20.701 68.784 1.00 31.69 H new ATOM 0 HG3 MET B 182 16.770 21.600 67.847 1.00 31.69 H new ATOM 0 HE1 MET B 182 16.870 21.316 72.158 1.00 32.83 H new ATOM 0 HE2 MET B 182 17.680 20.525 71.051 1.00 32.83 H new ATOM 0 HE3 MET B 182 18.121 21.990 71.458 1.00 32.83 H new ATOM 1209 N ALA B 183 13.461 18.249 70.040 1.00 27.68 N ATOM 1210 CA ALA B 183 12.249 17.447 69.915 1.00 28.83 C ATOM 1211 C ALA B 183 11.776 17.457 68.461 1.00 29.04 C ATOM 1212 O ALA B 183 11.448 16.414 67.894 1.00 28.89 O ATOM 1213 CB ALA B 183 11.160 17.999 70.825 1.00 28.53 C ATOM 0 H ALA B 183 13.396 18.917 70.578 1.00 27.68 H new ATOM 0 HA ALA B 183 12.441 16.534 70.181 1.00 28.83 H new ATOM 0 HB1 ALA B 183 10.359 17.460 70.735 1.00 28.53 H new ATOM 0 HB2 ALA B 183 11.464 17.974 71.746 1.00 28.53 H new ATOM 0 HB3 ALA B 183 10.962 18.915 70.575 1.00 28.53 H new ATOM 1214 N CYS B 184 11.749 18.646 67.865 1.00 28.58 N ATOM 1215 CA CYS B 184 11.328 18.804 66.478 1.00 28.35 C ATOM 1216 C CYS B 184 12.569 18.827 65.593 1.00 27.97 C ATOM 1217 O CYS B 184 13.385 19.745 65.673 1.00 28.65 O ATOM 1218 CB CYS B 184 10.541 20.106 66.307 1.00 29.65 C ATOM 1219 SG CYS B 184 9.055 20.223 67.336 1.00 33.82 S ATOM 0 H CYS B 184 11.973 19.380 68.252 1.00 28.58 H new ATOM 0 HA CYS B 184 10.753 18.065 66.225 1.00 28.35 H new ATOM 0 HB2 CYS B 184 11.124 20.853 66.514 1.00 29.65 H new ATOM 0 HB3 CYS B 184 10.284 20.196 65.376 1.00 29.65 H new ATOM 0 HG CYS B 184 9.346 20.671 68.410 1.00 33.82 H new ATOM 1220 N HIS B 185 12.703 17.809 64.751 1.00 26.71 N ATOM 1221 CA HIS B 185 13.851 17.688 63.862 1.00 26.30 C ATOM 1222 C HIS B 185 13.831 18.667 62.693 1.00 23.43 C ATOM 1223 O HIS B 185 12.841 18.770 61.968 1.00 22.40 O ATOM 1224 CB HIS B 185 13.933 16.257 63.327 1.00 29.94 C ATOM 1225 CG HIS B 185 14.164 15.230 64.391 1.00 35.89 C ATOM 1226 ND1 HIS B 185 13.659 13.949 64.312 1.00 37.92 N ATOM 1227 CD2 HIS B 185 14.857 15.290 65.553 1.00 36.78 C ATOM 1228 CE1 HIS B 185 14.030 13.266 65.381 1.00 39.05 C ATOM 1229 NE2 HIS B 185 14.758 14.056 66.149 1.00 39.17 N ATOM 0 H HIS B 185 12.132 17.170 64.679 1.00 26.71 H new ATOM 0 HA HIS B 185 14.633 17.908 64.392 1.00 26.30 H new ATOM 0 HB2 HIS B 185 13.109 16.047 62.859 1.00 29.94 H new ATOM 0 HB3 HIS B 185 14.650 16.204 62.676 1.00 29.94 H new ATOM 0 HD2 HIS B 185 15.314 16.028 65.885 1.00 36.78 H new ATOM 0 HE1 HIS B 185 13.815 12.379 65.562 1.00 39.05 H new ATOM 0 HE2 HIS B 185 15.113 13.834 66.900 1.00 39.17 H new ATOM 1230 N LYS B 186 14.935 19.386 62.523 1.00 20.28 N ATOM 1231 CA LYS B 186 15.078 20.335 61.428 1.00 19.20 C ATOM 1232 C LYS B 186 16.440 20.133 60.788 1.00 16.17 C ATOM 1233 O LYS B 186 17.346 19.556 61.396 1.00 14.71 O ATOM 1234 CB LYS B 186 15.010 21.784 61.922 1.00 20.61 C ATOM 1235 CG LYS B 186 13.737 22.182 62.634 1.00 25.66 C ATOM 1236 CD LYS B 186 13.685 23.697 62.838 1.00 26.63 C ATOM 1237 CE LYS B 186 14.908 24.222 63.575 1.00 28.30 C ATOM 1238 NZ LYS B 186 14.843 25.701 63.773 1.00 29.38 N ATOM 0 H LYS B 186 15.621 19.337 63.039 1.00 20.28 H new ATOM 0 HA LYS B 186 14.354 20.181 60.801 1.00 19.20 H new ATOM 0 HB2 LYS B 186 15.757 21.938 62.522 1.00 20.61 H new ATOM 0 HB3 LYS B 186 15.131 22.373 61.161 1.00 20.61 H new ATOM 0 HG2 LYS B 186 12.968 21.894 62.118 1.00 25.66 H new ATOM 0 HG3 LYS B 186 13.687 21.733 63.492 1.00 25.66 H new ATOM 0 HD2 LYS B 186 13.617 24.135 61.975 1.00 26.63 H new ATOM 0 HD3 LYS B 186 12.886 23.927 63.337 1.00 26.63 H new ATOM 0 HE2 LYS B 186 14.979 23.783 64.437 1.00 28.30 H new ATOM 0 HE3 LYS B 186 15.708 23.997 63.075 1.00 28.30 H new ATOM 0 HZ1 LYS B 186 15.571 25.975 64.206 1.00 29.38 H new ATOM 0 HZ2 LYS B 186 14.799 26.105 62.981 1.00 29.38 H new ATOM 0 HZ3 LYS B 186 14.120 25.905 64.250 1.00 29.38 H new ATOM 1239 N ILE B 187 16.572 20.595 59.551 1.00 16.37 N ATOM 1240 CA ILE B 187 17.845 20.534 58.846 1.00 15.76 C ATOM 1241 C ILE B 187 18.079 21.940 58.316 1.00 13.62 C ATOM 1242 O ILE B 187 17.143 22.736 58.221 1.00 12.66 O ATOM 1243 CB ILE B 187 17.846 19.528 57.657 1.00 16.93 C ATOM 1244 CG1 ILE B 187 16.968 20.033 56.507 1.00 17.79 C ATOM 1245 CG2 ILE B 187 17.396 18.158 58.142 1.00 17.03 C ATOM 1246 CD1 ILE B 187 15.506 20.097 56.816 1.00 22.32 C ATOM 0 H ILE B 187 15.932 20.950 59.100 1.00 16.37 H new ATOM 0 HA ILE B 187 18.538 20.225 59.451 1.00 15.76 H new ATOM 0 HB ILE B 187 18.749 19.450 57.312 1.00 16.93 H new ATOM 0 HG12 ILE B 187 17.271 20.918 56.250 1.00 17.79 H new ATOM 0 HG13 ILE B 187 17.099 19.455 55.739 1.00 17.79 H new ATOM 0 HG21 ILE B 187 17.398 17.535 57.399 1.00 17.03 H new ATOM 0 HG22 ILE B 187 18.003 17.843 58.830 1.00 17.03 H new ATOM 0 HG23 ILE B 187 16.500 18.222 58.507 1.00 17.03 H new ATOM 0 HD11 ILE B 187 15.025 20.425 56.040 1.00 22.32 H new ATOM 0 HD12 ILE B 187 15.184 19.211 57.045 1.00 22.32 H new ATOM 0 HD13 ILE B 187 15.359 20.697 57.564 1.00 22.32 H new ATOM 1247 N PRO B 188 19.332 22.278 57.992 1.00 13.40 N ATOM 1248 CA PRO B 188 19.645 23.611 57.472 1.00 11.53 C ATOM 1249 C PRO B 188 18.951 23.800 56.129 1.00 12.04 C ATOM 1250 O PRO B 188 18.812 22.845 55.363 1.00 12.17 O ATOM 1251 CB PRO B 188 21.163 23.577 57.321 1.00 11.77 C ATOM 1252 CG PRO B 188 21.596 22.543 58.326 1.00 11.68 C ATOM 1253 CD PRO B 188 20.556 21.480 58.170 1.00 11.16 C ATOM 0 HA PRO B 188 19.351 24.342 58.038 1.00 11.53 H new ATOM 0 HB2 PRO B 188 21.426 23.331 56.420 1.00 11.77 H new ATOM 0 HB3 PRO B 188 21.559 24.443 57.506 1.00 11.77 H new ATOM 0 HG2 PRO B 188 22.486 22.207 58.137 1.00 11.68 H new ATOM 0 HG3 PRO B 188 21.613 22.901 59.227 1.00 11.68 H new ATOM 0 HD2 PRO B 188 20.732 20.909 57.406 1.00 11.16 H new ATOM 0 HD3 PRO B 188 20.505 20.904 58.949 1.00 11.16 H new ATOM 1254 N VAL B 189 18.516 25.023 55.843 1.00 11.44 N ATOM 1255 CA VAL B 189 17.851 25.294 54.573 1.00 11.83 C ATOM 1256 C VAL B 189 18.889 25.285 53.456 1.00 12.22 C ATOM 1257 O VAL B 189 18.545 25.221 52.277 1.00 12.81 O ATOM 1258 CB VAL B 189 17.120 26.661 54.587 1.00 10.01 C ATOM 1259 CG1 VAL B 189 16.080 26.680 55.702 1.00 10.56 C ATOM 1260 CG2 VAL B 189 18.119 27.795 54.768 1.00 10.79 C ATOM 0 H VAL B 189 18.595 25.703 56.364 1.00 11.44 H new ATOM 0 HA VAL B 189 17.186 24.604 54.426 1.00 11.83 H new ATOM 0 HB VAL B 189 16.670 26.787 53.737 1.00 10.01 H new ATOM 0 HG11 VAL B 189 15.626 27.537 55.706 1.00 10.56 H new ATOM 0 HG12 VAL B 189 15.433 25.972 55.554 1.00 10.56 H new ATOM 0 HG13 VAL B 189 16.519 26.543 56.556 1.00 10.56 H new ATOM 0 HG21 VAL B 189 17.648 28.643 54.775 1.00 10.79 H new ATOM 0 HG22 VAL B 189 18.590 27.680 55.608 1.00 10.79 H new ATOM 0 HG23 VAL B 189 18.756 27.785 54.037 1.00 10.79 H new ATOM 1261 N GLU B 190 20.162 25.333 53.842 1.00 12.14 N ATOM 1262 CA GLU B 190 21.270 25.327 52.887 1.00 11.97 C ATOM 1263 C GLU B 190 21.864 23.932 52.692 1.00 11.51 C ATOM 1264 O GLU B 190 22.792 23.744 51.899 1.00 9.95 O ATOM 1265 CB GLU B 190 22.369 26.277 53.361 1.00 14.82 C ATOM 1266 CG GLU B 190 21.924 27.722 53.493 1.00 18.05 C ATOM 1267 CD GLU B 190 21.793 28.418 52.153 1.00 22.69 C ATOM 1268 OE1 GLU B 190 21.053 27.916 51.283 1.00 26.32 O ATOM 1269 OE2 GLU B 190 22.432 29.474 51.971 1.00 24.43 O ATOM 0 H GLU B 190 20.408 25.370 54.665 1.00 12.14 H new ATOM 0 HA GLU B 190 20.912 25.620 52.034 1.00 11.97 H new ATOM 0 HB2 GLU B 190 22.700 25.971 54.220 1.00 14.82 H new ATOM 0 HB3 GLU B 190 23.112 26.233 52.739 1.00 14.82 H new ATOM 0 HG2 GLU B 190 21.071 27.753 53.954 1.00 18.05 H new ATOM 0 HG3 GLU B 190 22.562 28.204 54.043 1.00 18.05 H new ATOM 1270 N ALA B 191 21.339 22.950 53.416 1.00 9.50 N ATOM 1271 CA ALA B 191 21.850 21.589 53.297 1.00 9.54 C ATOM 1272 C ALA B 191 21.404 20.912 52.006 1.00 9.30 C ATOM 1273 O ALA B 191 20.415 21.310 51.388 1.00 9.14 O ATOM 1274 CB ALA B 191 21.403 20.754 54.496 1.00 9.36 C ATOM 0 H ALA B 191 20.694 23.048 53.976 1.00 9.50 H new ATOM 0 HA ALA B 191 22.818 21.649 53.277 1.00 9.54 H new ATOM 0 HB1 ALA B 191 21.747 19.851 54.408 1.00 9.36 H new ATOM 0 HB2 ALA B 191 21.744 21.152 55.313 1.00 9.36 H new ATOM 0 HB3 ALA B 191 20.434 20.728 54.529 1.00 9.36 H new ATOM 1275 N ASP B 192 22.155 19.889 51.608 1.00 9.21 N ATOM 1276 CA ASP B 192 21.859 19.096 50.421 1.00 9.03 C ATOM 1277 C ASP B 192 22.081 19.794 49.079 1.00 9.05 C ATOM 1278 O ASP B 192 21.422 19.477 48.082 1.00 9.99 O ATOM 1279 CB ASP B 192 20.432 18.547 50.508 1.00 8.73 C ATOM 1280 CG ASP B 192 20.197 17.735 51.773 1.00 11.40 C ATOM 1281 OD1 ASP B 192 20.996 16.813 52.045 1.00 9.62 O ATOM 1282 OD2 ASP B 192 19.215 18.014 52.493 1.00 13.09 O ATOM 0 H ASP B 192 22.861 19.633 52.027 1.00 9.21 H new ATOM 0 HA ASP B 192 22.511 18.378 50.429 1.00 9.03 H new ATOM 0 HB2 ASP B 192 19.802 19.284 50.479 1.00 8.73 H new ATOM 0 HB3 ASP B 192 20.254 17.992 49.733 1.00 8.73 H new ATOM 1283 N PHE B 193 23.010 20.744 49.066 1.00 8.42 N ATOM 1284 CA PHE B 193 23.387 21.454 47.846 1.00 9.33 C ATOM 1285 C PHE B 193 24.813 21.025 47.508 1.00 8.72 C ATOM 1286 O PHE B 193 25.616 20.764 48.404 1.00 10.03 O ATOM 1287 CB PHE B 193 23.399 22.974 48.065 1.00 8.81 C ATOM 1288 CG PHE B 193 22.054 23.634 47.930 1.00 10.17 C ATOM 1289 CD1 PHE B 193 21.650 24.172 46.712 1.00 10.98 C ATOM 1290 CD2 PHE B 193 21.205 23.751 49.031 1.00 10.68 C ATOM 1291 CE1 PHE B 193 20.417 24.825 46.590 1.00 12.19 C ATOM 1292 CE2 PHE B 193 19.973 24.399 48.920 1.00 11.69 C ATOM 1293 CZ PHE B 193 19.578 24.939 47.697 1.00 10.98 C ATOM 0 H PHE B 193 23.441 20.997 49.766 1.00 8.42 H new ATOM 0 HA PHE B 193 22.752 21.247 47.143 1.00 9.33 H new ATOM 0 HB2 PHE B 193 23.750 23.159 48.950 1.00 8.81 H new ATOM 0 HB3 PHE B 193 24.010 23.376 47.428 1.00 8.81 H new ATOM 0 HD1 PHE B 193 22.205 24.097 45.970 1.00 10.98 H new ATOM 0 HD2 PHE B 193 21.463 23.393 49.850 1.00 10.68 H new ATOM 0 HE1 PHE B 193 20.158 25.182 45.771 1.00 12.19 H new ATOM 0 HE2 PHE B 193 19.416 24.470 49.662 1.00 11.69 H new ATOM 0 HZ PHE B 193 18.759 25.373 47.620 1.00 10.98 H new ATOM 1294 N LEU B 194 25.120 20.929 46.221 1.00 9.29 N ATOM 1295 CA LEU B 194 26.475 20.611 45.789 1.00 9.71 C ATOM 1296 C LEU B 194 26.763 21.504 44.599 1.00 10.55 C ATOM 1297 O LEU B 194 25.987 21.549 43.646 1.00 12.14 O ATOM 1298 CB LEU B 194 26.643 19.142 45.385 1.00 11.51 C ATOM 1299 CG LEU B 194 28.078 18.838 44.913 1.00 13.64 C ATOM 1300 CD1 LEU B 194 28.470 17.416 45.258 1.00 15.17 C ATOM 1301 CD2 LEU B 194 28.188 19.079 43.405 1.00 14.14 C ATOM 0 H LEU B 194 24.558 21.044 45.581 1.00 9.29 H new ATOM 0 HA LEU B 194 27.091 20.758 46.524 1.00 9.71 H new ATOM 0 HB2 LEU B 194 26.423 18.572 46.139 1.00 11.51 H new ATOM 0 HB3 LEU B 194 26.017 18.928 44.675 1.00 11.51 H new ATOM 0 HG LEU B 194 28.690 19.433 45.373 1.00 13.64 H new ATOM 0 HD11 LEU B 194 29.375 17.246 44.953 1.00 15.17 H new ATOM 0 HD12 LEU B 194 28.425 17.292 46.219 1.00 15.17 H new ATOM 0 HD13 LEU B 194 27.861 16.798 44.824 1.00 15.17 H new ATOM 0 HD21 LEU B 194 29.092 18.887 43.111 1.00 14.14 H new ATOM 0 HD22 LEU B 194 27.567 18.499 42.938 1.00 14.14 H new ATOM 0 HD23 LEU B 194 27.975 20.005 43.209 1.00 14.14 H new ATOM 1302 N TYR B 195 27.864 22.240 44.683 1.00 9.72 N ATOM 1303 CA TYR B 195 28.277 23.131 43.615 1.00 10.44 C ATOM 1304 C TYR B 195 29.523 22.562 42.965 1.00 9.49 C ATOM 1305 O TYR B 195 30.563 22.427 43.612 1.00 10.24 O ATOM 1306 CB TYR B 195 28.600 24.524 44.156 1.00 10.74 C ATOM 1307 CG TYR B 195 27.447 25.213 44.834 1.00 15.49 C ATOM 1308 CD1 TYR B 195 27.071 24.874 46.131 1.00 15.60 C ATOM 1309 CD2 TYR B 195 26.718 26.199 44.171 1.00 18.08 C ATOM 1310 CE1 TYR B 195 25.995 25.504 46.754 1.00 20.13 C ATOM 1311 CE2 TYR B 195 25.642 26.832 44.783 1.00 21.04 C ATOM 1312 CZ TYR B 195 25.287 26.482 46.072 1.00 21.00 C ATOM 1313 OH TYR B 195 24.231 27.119 46.680 1.00 25.62 O ATOM 0 H TYR B 195 28.391 22.235 45.362 1.00 9.72 H new ATOM 0 HA TYR B 195 27.552 23.207 42.975 1.00 10.44 H new ATOM 0 HB2 TYR B 195 29.334 24.452 44.786 1.00 10.74 H new ATOM 0 HB3 TYR B 195 28.908 25.080 43.423 1.00 10.74 H new ATOM 0 HD1 TYR B 195 27.545 24.217 46.588 1.00 15.60 H new ATOM 0 HD2 TYR B 195 26.956 26.438 43.304 1.00 18.08 H new ATOM 0 HE1 TYR B 195 25.754 25.270 47.621 1.00 20.13 H new ATOM 0 HE2 TYR B 195 25.164 27.487 44.328 1.00 21.04 H new ATOM 0 HH TYR B 195 24.164 27.900 46.379 1.00 25.62 H new ATOM 1314 N ALA B 196 29.412 22.214 41.691 1.00 8.10 N ATOM 1315 CA ALA B 196 30.548 21.688 40.960 1.00 8.06 C ATOM 1316 C ALA B 196 31.064 22.837 40.112 1.00 8.00 C ATOM 1317 O ALA B 196 30.546 23.095 39.027 1.00 7.71 O ATOM 1318 CB ALA B 196 30.125 20.518 40.081 1.00 8.19 C ATOM 0 H ALA B 196 28.687 22.275 41.233 1.00 8.10 H new ATOM 0 HA ALA B 196 31.233 21.354 41.560 1.00 8.06 H new ATOM 0 HB1 ALA B 196 30.896 20.179 39.600 1.00 8.19 H new ATOM 0 HB2 ALA B 196 29.755 19.813 40.636 1.00 8.19 H new ATOM 0 HB3 ALA B 196 29.454 20.815 39.447 1.00 8.19 H new ATOM 1319 N TYR B 197 32.060 23.546 40.633 1.00 7.51 N ATOM 1320 CA TYR B 197 32.655 24.676 39.928 1.00 7.61 C ATOM 1321 C TYR B 197 33.742 24.208 38.973 1.00 9.74 C ATOM 1322 O TYR B 197 34.515 23.302 39.281 1.00 8.22 O ATOM 1323 CB TYR B 197 33.260 25.673 40.917 1.00 8.10 C ATOM 1324 CG TYR B 197 32.251 26.430 41.743 1.00 8.60 C ATOM 1325 CD1 TYR B 197 31.533 27.499 41.203 1.00 11.35 C ATOM 1326 CD2 TYR B 197 32.034 26.098 43.077 1.00 11.29 C ATOM 1327 CE1 TYR B 197 30.629 28.226 41.984 1.00 12.35 C ATOM 1328 CE2 TYR B 197 31.136 26.814 43.861 1.00 12.60 C ATOM 1329 CZ TYR B 197 30.440 27.878 43.312 1.00 12.43 C ATOM 1330 OH TYR B 197 29.581 28.609 44.109 1.00 15.71 O ATOM 0 H TYR B 197 32.409 23.386 41.403 1.00 7.51 H new ATOM 0 HA TYR B 197 31.949 25.109 39.423 1.00 7.61 H new ATOM 0 HB2 TYR B 197 33.857 25.196 41.515 1.00 8.10 H new ATOM 0 HB3 TYR B 197 33.801 26.310 40.425 1.00 8.10 H new ATOM 0 HD1 TYR B 197 31.658 27.731 40.311 1.00 11.35 H new ATOM 0 HD2 TYR B 197 32.498 25.384 43.451 1.00 11.29 H new ATOM 0 HE1 TYR B 197 30.158 28.938 41.615 1.00 12.35 H new ATOM 0 HE2 TYR B 197 31.003 26.579 44.751 1.00 12.60 H new ATOM 0 HH TYR B 197 29.606 29.417 43.881 1.00 15.71 H new ATOM 1331 N SER B 198 33.801 24.853 37.818 1.00 7.51 N ATOM 1332 CA SER B 198 34.782 24.516 36.800 1.00 9.33 C ATOM 1333 C SER B 198 36.188 24.951 37.183 1.00 9.23 C ATOM 1334 O SER B 198 37.168 24.411 36.674 1.00 9.48 O ATOM 1335 CB SER B 198 34.415 25.204 35.491 1.00 8.42 C ATOM 1336 OG SER B 198 34.529 26.612 35.634 1.00 10.50 O ATOM 0 H SER B 198 33.274 25.498 37.602 1.00 7.51 H new ATOM 0 HA SER B 198 34.773 23.550 36.707 1.00 9.33 H new ATOM 0 HB2 SER B 198 34.998 24.895 34.780 1.00 8.42 H new ATOM 0 HB3 SER B 198 33.509 24.969 35.237 1.00 8.42 H new ATOM 0 HG SER B 198 34.989 26.922 35.003 1.00 10.50 H new ATOM 1337 N THR B 199 36.289 25.924 38.083 1.00 11.07 N ATOM 1338 CA THR B 199 37.592 26.446 38.457 1.00 10.89 C ATOM 1339 C THR B 199 37.663 26.901 39.911 1.00 11.87 C ATOM 1340 O THR B 199 36.640 27.031 40.583 1.00 10.84 O ATOM 1341 CB THR B 199 37.948 27.627 37.528 1.00 9.84 C ATOM 1342 OG1 THR B 199 39.332 27.965 37.670 1.00 12.40 O ATOM 1343 CG2 THR B 199 37.084 28.836 37.865 1.00 9.83 C ATOM 0 H THR B 199 35.622 26.290 38.483 1.00 11.07 H new ATOM 0 HA THR B 199 38.230 25.722 38.360 1.00 10.89 H new ATOM 0 HB THR B 199 37.780 27.363 36.610 1.00 9.84 H new ATOM 0 HG1 THR B 199 39.539 28.546 37.100 1.00 12.40 H new ATOM 0 HG21 THR B 199 37.314 29.572 37.277 1.00 9.83 H new ATOM 0 HG22 THR B 199 36.149 28.609 37.747 1.00 9.83 H new ATOM 0 HG23 THR B 199 37.239 29.098 38.786 1.00 9.83 H new ATOM 1344 N ALA B 200 38.880 27.157 40.386 1.00 12.35 N ATOM 1345 CA ALA B 200 39.089 27.593 41.764 1.00 13.16 C ATOM 1346 C ALA B 200 38.577 29.010 42.006 1.00 12.70 C ATOM 1347 O ALA B 200 38.484 29.819 41.082 1.00 11.87 O ATOM 1348 CB ALA B 200 40.575 27.504 42.121 1.00 10.14 C ATOM 0 H ALA B 200 39.601 27.084 39.923 1.00 12.35 H new ATOM 0 HA ALA B 200 38.578 27.000 42.337 1.00 13.16 H new ATOM 0 HB1 ALA B 200 40.706 27.795 43.037 1.00 10.14 H new ATOM 0 HB2 ALA B 200 40.876 26.587 42.027 1.00 10.14 H new ATOM 0 HB3 ALA B 200 41.086 28.074 41.525 1.00 10.14 H new ATOM 1349 N PRO B 201 38.227 29.328 43.261 1.00 12.86 N ATOM 1350 CA PRO B 201 37.726 30.666 43.584 1.00 13.44 C ATOM 1351 C PRO B 201 38.696 31.756 43.119 1.00 13.92 C ATOM 1352 O PRO B 201 39.899 31.676 43.378 1.00 15.23 O ATOM 1353 CB PRO B 201 37.597 30.627 45.109 1.00 15.52 C ATOM 1354 CG PRO B 201 37.310 29.180 45.389 1.00 13.11 C ATOM 1355 CD PRO B 201 38.273 28.477 44.463 1.00 15.06 C ATOM 0 HA PRO B 201 36.890 30.879 43.141 1.00 13.44 H new ATOM 0 HB2 PRO B 201 38.411 30.922 45.546 1.00 15.52 H new ATOM 0 HB3 PRO B 201 36.882 31.202 45.423 1.00 15.52 H new ATOM 0 HG2 PRO B 201 37.470 28.952 46.318 1.00 13.11 H new ATOM 0 HG3 PRO B 201 36.388 28.950 45.195 1.00 13.11 H new ATOM 0 HD2 PRO B 201 39.166 28.428 44.838 1.00 15.06 H new ATOM 0 HD3 PRO B 201 37.995 27.567 44.274 1.00 15.06 H new ATOM 1356 N GLY B 202 38.168 32.756 42.421 1.00 14.96 N ATOM 1357 CA GLY B 202 38.989 33.858 41.947 1.00 12.59 C ATOM 1358 C GLY B 202 39.723 33.653 40.634 1.00 13.10 C ATOM 1359 O GLY B 202 40.379 34.577 40.149 1.00 12.09 O ATOM 0 H GLY B 202 37.336 32.813 42.212 1.00 14.96 H new ATOM 0 HA2 GLY B 202 38.422 34.640 41.857 1.00 12.59 H new ATOM 0 HA3 GLY B 202 39.646 34.061 42.631 1.00 12.59 H new ATOM 1360 N TYR B 203 39.610 32.466 40.042 1.00 11.30 N ATOM 1361 CA TYR B 203 40.313 32.177 38.791 1.00 10.77 C ATOM 1362 C TYR B 203 39.475 32.173 37.523 1.00 10.32 C ATOM 1363 O TYR B 203 38.261 31.974 37.562 1.00 9.69 O ATOM 1364 CB TYR B 203 41.029 30.820 38.885 1.00 9.78 C ATOM 1365 CG TYR B 203 42.265 30.836 39.750 1.00 10.98 C ATOM 1366 CD1 TYR B 203 42.171 30.867 41.140 1.00 11.62 C ATOM 1367 CD2 TYR B 203 43.535 30.863 39.174 1.00 10.35 C ATOM 1368 CE1 TYR B 203 43.319 30.928 41.938 1.00 13.18 C ATOM 1369 CE2 TYR B 203 44.682 30.925 39.957 1.00 10.80 C ATOM 1370 CZ TYR B 203 44.569 30.958 41.334 1.00 12.12 C ATOM 1371 OH TYR B 203 45.709 31.033 42.103 1.00 16.54 O ATOM 0 H TYR B 203 39.134 31.817 40.345 1.00 11.30 H new ATOM 0 HA TYR B 203 40.927 32.923 38.703 1.00 10.77 H new ATOM 0 HB2 TYR B 203 40.409 30.161 39.235 1.00 9.78 H new ATOM 0 HB3 TYR B 203 41.274 30.532 37.992 1.00 9.78 H new ATOM 0 HD1 TYR B 203 41.333 30.847 41.543 1.00 11.62 H new ATOM 0 HD2 TYR B 203 43.616 30.839 38.248 1.00 10.35 H new ATOM 0 HE1 TYR B 203 43.245 30.948 42.865 1.00 13.18 H new ATOM 0 HE2 TYR B 203 45.521 30.944 39.556 1.00 10.80 H new ATOM 0 HH TYR B 203 45.574 30.658 42.843 1.00 16.54 H new ATOM 1372 N TYR B 204 40.142 32.398 36.392 1.00 12.66 N ATOM 1373 CA TYR B 204 39.471 32.353 35.097 1.00 12.22 C ATOM 1374 C TYR B 204 39.124 30.883 34.884 1.00 9.29 C ATOM 1375 O TYR B 204 39.694 30.008 35.535 1.00 9.39 O ATOM 1376 CB TYR B 204 40.412 32.748 33.952 1.00 16.00 C ATOM 1377 CG TYR B 204 40.715 34.218 33.780 1.00 19.59 C ATOM 1378 CD1 TYR B 204 41.933 34.751 34.198 1.00 21.47 C ATOM 1379 CD2 TYR B 204 39.816 35.062 33.130 1.00 22.16 C ATOM 1380 CE1 TYR B 204 42.255 36.087 33.960 1.00 24.00 C ATOM 1381 CE2 TYR B 204 40.127 36.402 32.891 1.00 23.82 C ATOM 1382 CZ TYR B 204 41.350 36.904 33.307 1.00 23.14 C ATOM 1383 OH TYR B 204 41.670 38.219 33.055 1.00 25.96 O ATOM 0 H TYR B 204 40.982 32.578 36.354 1.00 12.66 H new ATOM 0 HA TYR B 204 38.713 32.958 35.096 1.00 12.22 H new ATOM 0 HB2 TYR B 204 41.253 32.281 34.080 1.00 16.00 H new ATOM 0 HB3 TYR B 204 40.029 32.421 33.123 1.00 16.00 H new ATOM 0 HD1 TYR B 204 42.541 34.207 34.643 1.00 21.47 H new ATOM 0 HD2 TYR B 204 38.995 34.727 32.851 1.00 22.16 H new ATOM 0 HE1 TYR B 204 43.074 36.427 34.239 1.00 24.00 H new ATOM 0 HE2 TYR B 204 39.518 36.954 32.456 1.00 23.82 H new ATOM 0 HH TYR B 204 42.500 38.325 33.132 1.00 25.96 H new ATOM 1384 N SER B 205 38.204 30.623 33.964 1.00 9.09 N ATOM 1385 CA SER B 205 37.810 29.263 33.611 1.00 11.66 C ATOM 1386 C SER B 205 38.067 29.163 32.111 1.00 12.51 C ATOM 1387 O SER B 205 37.637 30.034 31.350 1.00 12.65 O ATOM 1388 CB SER B 205 36.329 29.020 33.903 1.00 12.50 C ATOM 1389 OG SER B 205 35.991 27.668 33.637 1.00 12.48 O ATOM 0 H SER B 205 37.788 31.233 33.524 1.00 9.09 H new ATOM 0 HA SER B 205 38.304 28.604 34.124 1.00 11.66 H new ATOM 0 HB2 SER B 205 36.136 29.232 34.830 1.00 12.50 H new ATOM 0 HB3 SER B 205 35.784 29.609 33.358 1.00 12.50 H new ATOM 0 HG SER B 205 36.688 27.234 33.460 1.00 12.48 H new ATOM 1390 N TRP B 206 38.765 28.109 31.692 1.00 10.40 N ATOM 1391 CA TRP B 206 39.121 27.920 30.287 1.00 11.07 C ATOM 1392 C TRP B 206 38.156 27.115 29.432 1.00 12.33 C ATOM 1393 O TRP B 206 37.575 26.121 29.870 1.00 10.50 O ATOM 1394 CB TRP B 206 40.510 27.290 30.178 1.00 11.13 C ATOM 1395 CG TRP B 206 41.603 28.198 30.621 1.00 13.60 C ATOM 1396 CD1 TRP B 206 42.171 28.261 31.862 1.00 12.57 C ATOM 1397 CD2 TRP B 206 42.257 29.191 29.826 1.00 14.27 C ATOM 1398 NE1 TRP B 206 43.146 29.232 31.885 1.00 13.89 N ATOM 1399 CE2 TRP B 206 43.218 29.817 30.647 1.00 14.71 C ATOM 1400 CE3 TRP B 206 42.125 29.613 28.494 1.00 16.33 C ATOM 1401 CZ2 TRP B 206 44.049 30.845 30.180 1.00 15.09 C ATOM 1402 CZ3 TRP B 206 42.952 30.636 28.031 1.00 16.17 C ATOM 1403 CH2 TRP B 206 43.901 31.237 28.876 1.00 15.04 C ATOM 0 H TRP B 206 39.045 27.485 32.213 1.00 10.40 H new ATOM 0 HA TRP B 206 39.088 28.819 29.925 1.00 11.07 H new ATOM 0 HB2 TRP B 206 40.534 26.480 30.712 1.00 11.13 H new ATOM 0 HB3 TRP B 206 40.668 27.028 29.258 1.00 11.13 H new ATOM 0 HD1 TRP B 206 41.934 27.726 32.585 1.00 12.57 H new ATOM 0 HE1 TRP B 206 43.631 29.438 32.565 1.00 13.89 H new ATOM 0 HE3 TRP B 206 41.499 29.218 27.931 1.00 16.33 H new ATOM 0 HZ2 TRP B 206 44.678 31.246 30.735 1.00 15.09 H new ATOM 0 HZ3 TRP B 206 42.874 30.925 27.150 1.00 16.17 H new ATOM 0 HH2 TRP B 206 44.441 31.917 28.542 1.00 15.04 H new ATOM 1404 N ARG B 207 38.031 27.548 28.184 1.00 12.40 N ATOM 1405 CA ARG B 207 37.148 26.913 27.221 1.00 14.12 C ATOM 1406 C ARG B 207 37.799 26.868 25.846 1.00 14.57 C ATOM 1407 O ARG B 207 38.356 27.866 25.382 1.00 13.96 O ATOM 1408 CB ARG B 207 35.832 27.695 27.162 1.00 14.20 C ATOM 1409 CG ARG B 207 34.945 27.404 25.968 1.00 18.17 C ATOM 1410 CD ARG B 207 33.591 28.087 26.156 1.00 19.01 C ATOM 1411 NE ARG B 207 33.737 29.488 26.544 1.00 19.25 N ATOM 1412 CZ ARG B 207 34.145 30.455 25.729 1.00 19.81 C ATOM 1413 NH1 ARG B 207 34.442 30.180 24.466 1.00 19.43 N ATOM 1414 NH2 ARG B 207 34.278 31.695 26.184 1.00 21.96 N ATOM 0 H ARG B 207 38.461 28.224 27.871 1.00 12.40 H new ATOM 0 HA ARG B 207 36.972 26.000 27.498 1.00 14.12 H new ATOM 0 HB2 ARG B 207 35.329 27.510 27.970 1.00 14.20 H new ATOM 0 HB3 ARG B 207 36.038 28.643 27.167 1.00 14.20 H new ATOM 0 HG2 ARG B 207 35.368 27.722 25.155 1.00 18.17 H new ATOM 0 HG3 ARG B 207 34.824 26.447 25.869 1.00 18.17 H new ATOM 0 HD2 ARG B 207 33.084 28.031 25.331 1.00 19.01 H new ATOM 0 HD3 ARG B 207 33.082 27.615 26.834 1.00 19.01 H new ATOM 0 HE ARG B 207 33.546 29.701 27.355 1.00 19.25 H new ATOM 0 HH11 ARG B 207 34.371 29.375 24.173 1.00 19.43 H new ATOM 0 HH12 ARG B 207 34.706 30.807 23.940 1.00 19.43 H new ATOM 0 HH21 ARG B 207 34.100 31.873 27.006 1.00 21.96 H new ATOM 0 HH22 ARG B 207 34.542 32.321 25.656 1.00 21.96 H new ATOM 1415 N ASN B 208 37.744 25.704 25.205 1.00 14.80 N ATOM 1416 CA ASN B 208 38.306 25.552 23.869 1.00 16.56 C ATOM 1417 C ASN B 208 37.201 25.912 22.884 1.00 17.94 C ATOM 1418 O ASN B 208 36.139 25.294 22.874 1.00 15.68 O ATOM 1419 CB ASN B 208 38.776 24.113 23.640 1.00 16.92 C ATOM 1420 CG ASN B 208 39.457 23.931 22.295 1.00 18.37 C ATOM 1421 OD1 ASN B 208 38.808 23.942 21.250 1.00 19.02 O ATOM 1422 ND2 ASN B 208 40.778 23.774 22.316 1.00 19.01 N ATOM 0 H ASN B 208 37.386 24.991 25.527 1.00 14.80 H new ATOM 0 HA ASN B 208 39.078 26.128 23.753 1.00 16.56 H new ATOM 0 HB2 ASN B 208 39.390 23.860 24.347 1.00 16.92 H new ATOM 0 HB3 ASN B 208 38.015 23.514 23.698 1.00 16.92 H new ATOM 0 HD21 ASN B 208 41.211 23.675 21.580 1.00 19.01 H new ATOM 0 HD22 ASN B 208 41.199 23.772 23.066 1.00 19.01 H new ATOM 1423 N SER B 209 37.459 26.920 22.058 1.00 21.38 N ATOM 1424 CA SER B 209 36.477 27.391 21.089 1.00 23.26 C ATOM 1425 C SER B 209 35.926 26.310 20.163 1.00 23.74 C ATOM 1426 O SER B 209 34.939 26.537 19.470 1.00 25.04 O ATOM 1427 CB SER B 209 37.073 28.531 20.258 1.00 24.61 C ATOM 1428 OG SER B 209 38.230 28.104 19.564 1.00 29.63 O ATOM 0 H SER B 209 38.205 27.348 22.043 1.00 21.38 H new ATOM 0 HA SER B 209 35.720 27.700 21.611 1.00 23.26 H new ATOM 0 HB2 SER B 209 36.413 28.853 19.625 1.00 24.61 H new ATOM 0 HB3 SER B 209 37.296 29.276 20.838 1.00 24.61 H new ATOM 0 HG SER B 209 38.849 27.958 20.113 1.00 29.63 H new ATOM 1429 N LYS B 210 36.548 25.136 20.153 1.00 24.89 N ATOM 1430 CA LYS B 210 36.084 24.058 19.290 1.00 25.22 C ATOM 1431 C LYS B 210 35.568 22.815 20.013 1.00 25.04 C ATOM 1432 O LYS B 210 34.560 22.235 19.604 1.00 25.21 O ATOM 1433 CB LYS B 210 37.195 23.646 18.320 1.00 27.58 C ATOM 1434 CG LYS B 210 36.799 22.511 17.393 1.00 31.77 C ATOM 1435 CD LYS B 210 37.892 22.198 16.386 1.00 36.36 C ATOM 1436 CE LYS B 210 37.448 21.103 15.428 1.00 39.61 C ATOM 1437 NZ LYS B 210 38.471 20.830 14.377 1.00 42.62 N ATOM 0 H LYS B 210 37.235 24.945 20.634 1.00 24.89 H new ATOM 0 HA LYS B 210 35.320 24.429 18.822 1.00 25.22 H new ATOM 0 HB2 LYS B 210 37.451 24.415 17.787 1.00 27.58 H new ATOM 0 HB3 LYS B 210 37.977 23.381 18.829 1.00 27.58 H new ATOM 0 HG2 LYS B 210 36.605 21.718 17.917 1.00 31.77 H new ATOM 0 HG3 LYS B 210 35.984 22.747 16.923 1.00 31.77 H new ATOM 0 HD2 LYS B 210 38.116 22.999 15.887 1.00 36.36 H new ATOM 0 HD3 LYS B 210 38.696 21.920 16.852 1.00 36.36 H new ATOM 0 HE2 LYS B 210 37.273 20.290 15.927 1.00 39.61 H new ATOM 0 HE3 LYS B 210 36.614 21.362 15.006 1.00 39.61 H new ATOM 0 HZ1 LYS B 210 38.072 20.499 13.653 1.00 42.62 H new ATOM 0 HZ2 LYS B 210 38.889 21.587 14.165 1.00 42.62 H new ATOM 0 HZ3 LYS B 210 39.063 20.241 14.685 1.00 42.62 H new ATOM 1438 N ASP B 211 36.251 22.406 21.077 1.00 22.49 N ATOM 1439 CA ASP B 211 35.857 21.208 21.816 1.00 22.00 C ATOM 1440 C ASP B 211 35.000 21.465 23.057 1.00 19.27 C ATOM 1441 O ASP B 211 34.496 20.524 23.669 1.00 20.09 O ATOM 1442 CB ASP B 211 37.097 20.417 22.242 1.00 24.28 C ATOM 1443 CG ASP B 211 38.069 20.185 21.101 1.00 28.45 C ATOM 1444 OD1 ASP B 211 37.630 19.752 20.014 1.00 28.61 O ATOM 1445 OD2 ASP B 211 39.279 20.427 21.300 1.00 29.70 O ATOM 0 H ASP B 211 36.945 22.807 21.388 1.00 22.49 H new ATOM 0 HA ASP B 211 35.305 20.707 21.195 1.00 22.00 H new ATOM 0 HB2 ASP B 211 37.550 20.894 22.955 1.00 24.28 H new ATOM 0 HB3 ASP B 211 36.820 19.561 22.604 1.00 24.28 H new ATOM 1446 N GLY B 212 34.837 22.729 23.432 1.00 16.65 N ATOM 1447 CA GLY B 212 34.054 23.042 24.613 1.00 14.32 C ATOM 1448 C GLY B 212 34.954 23.319 25.804 1.00 12.97 C ATOM 1449 O GLY B 212 36.178 23.261 25.687 1.00 12.23 O ATOM 0 H GLY B 212 35.167 23.409 23.021 1.00 16.65 H new ATOM 0 HA2 GLY B 212 33.495 23.815 24.439 1.00 14.32 H new ATOM 0 HA3 GLY B 212 33.460 22.303 24.817 1.00 14.32 H new ATOM 1450 N SER B 213 34.358 23.623 26.953 1.00 11.13 N ATOM 1451 CA SER B 213 35.139 23.915 28.153 1.00 9.68 C ATOM 1452 C SER B 213 35.871 22.677 28.658 1.00 9.25 C ATOM 1453 O SER B 213 35.393 21.550 28.502 1.00 9.21 O ATOM 1454 CB SER B 213 34.232 24.465 29.262 1.00 10.36 C ATOM 1455 OG SER B 213 33.278 23.505 29.680 1.00 7.18 O ATOM 0 H SER B 213 33.506 23.666 27.060 1.00 11.13 H new ATOM 0 HA SER B 213 35.800 24.584 27.915 1.00 9.68 H new ATOM 0 HB2 SER B 213 34.774 24.735 30.020 1.00 10.36 H new ATOM 0 HB3 SER B 213 33.775 25.259 28.943 1.00 10.36 H new ATOM 0 HG SER B 213 32.605 23.542 29.179 1.00 7.18 H new ATOM 1456 N TRP B 214 37.035 22.885 29.264 1.00 7.58 N ATOM 1457 CA TRP B 214 37.816 21.766 29.793 1.00 8.92 C ATOM 1458 C TRP B 214 37.003 21.015 30.842 1.00 8.72 C ATOM 1459 O TRP B 214 37.017 19.784 30.900 1.00 8.70 O ATOM 1460 CB TRP B 214 39.106 22.264 30.449 1.00 8.77 C ATOM 1461 CG TRP B 214 40.025 23.042 29.550 1.00 9.39 C ATOM 1462 CD1 TRP B 214 39.931 23.187 28.194 1.00 9.34 C ATOM 1463 CD2 TRP B 214 41.206 23.746 29.949 1.00 8.26 C ATOM 1464 NE1 TRP B 214 40.984 23.936 27.724 1.00 7.96 N ATOM 1465 CE2 TRP B 214 41.781 24.292 28.781 1.00 10.98 C ATOM 1466 CE3 TRP B 214 41.835 23.965 31.183 1.00 10.66 C ATOM 1467 CZ2 TRP B 214 42.962 25.046 28.809 1.00 9.80 C ATOM 1468 CZ3 TRP B 214 43.008 24.712 31.213 1.00 12.02 C ATOM 1469 CH2 TRP B 214 43.559 25.245 30.030 1.00 11.49 C ATOM 0 H TRP B 214 37.390 23.660 29.380 1.00 7.58 H new ATOM 0 HA TRP B 214 38.036 21.180 29.052 1.00 8.92 H new ATOM 0 HB2 TRP B 214 38.871 22.821 31.207 1.00 8.77 H new ATOM 0 HB3 TRP B 214 39.590 21.499 30.798 1.00 8.77 H new ATOM 0 HD1 TRP B 214 39.253 22.831 27.666 1.00 9.34 H new ATOM 0 HE1 TRP B 214 41.120 24.147 26.901 1.00 7.96 H new ATOM 0 HE3 TRP B 214 41.475 23.617 31.967 1.00 10.66 H new ATOM 0 HZ2 TRP B 214 43.328 25.398 28.030 1.00 9.80 H new ATOM 0 HZ3 TRP B 214 43.435 24.862 32.025 1.00 12.02 H new ATOM 0 HH2 TRP B 214 44.344 25.742 30.077 1.00 11.49 H new ATOM 1470 N PHE B 215 36.293 21.773 31.670 1.00 9.60 N ATOM 1471 CA PHE B 215 35.489 21.204 32.744 1.00 9.33 C ATOM 1472 C PHE B 215 34.312 20.363 32.263 1.00 8.80 C ATOM 1473 O PHE B 215 34.182 19.209 32.650 1.00 9.41 O ATOM 1474 CB PHE B 215 34.982 22.320 33.662 1.00 7.84 C ATOM 1475 CG PHE B 215 34.159 21.826 34.825 1.00 8.80 C ATOM 1476 CD1 PHE B 215 34.698 20.929 35.746 1.00 7.25 C ATOM 1477 CD2 PHE B 215 32.856 22.281 35.015 1.00 7.23 C ATOM 1478 CE1 PHE B 215 33.951 20.494 36.844 1.00 7.28 C ATOM 1479 CE2 PHE B 215 32.100 21.852 36.111 1.00 10.93 C ATOM 1480 CZ PHE B 215 32.649 20.957 37.026 1.00 8.71 C ATOM 0 H PHE B 215 36.264 22.631 31.625 1.00 9.60 H new ATOM 0 HA PHE B 215 36.076 20.600 33.226 1.00 9.33 H new ATOM 0 HB2 PHE B 215 35.742 22.817 34.003 1.00 7.84 H new ATOM 0 HB3 PHE B 215 34.449 22.940 33.140 1.00 7.84 H new ATOM 0 HD1 PHE B 215 35.566 20.616 35.628 1.00 7.25 H new ATOM 0 HD2 PHE B 215 32.484 22.877 34.406 1.00 7.23 H new ATOM 0 HE1 PHE B 215 34.322 19.896 37.452 1.00 7.28 H new ATOM 0 HE2 PHE B 215 31.232 22.164 36.229 1.00 10.93 H new ATOM 0 HZ PHE B 215 32.149 20.669 37.755 1.00 8.71 H new ATOM 1481 N ILE B 216 33.449 20.936 31.429 1.00 10.38 N ATOM 1482 CA ILE B 216 32.296 20.192 30.936 1.00 9.83 C ATOM 1483 C ILE B 216 32.737 18.967 30.131 1.00 9.94 C ATOM 1484 O ILE B 216 32.142 17.896 30.253 1.00 8.72 O ATOM 1485 CB ILE B 216 31.364 21.091 30.081 1.00 10.16 C ATOM 1486 CG1 ILE B 216 30.811 22.238 30.939 1.00 11.19 C ATOM 1487 CG2 ILE B 216 30.232 20.265 29.499 1.00 7.71 C ATOM 1488 CD1 ILE B 216 30.005 21.798 32.177 1.00 11.65 C ATOM 0 H ILE B 216 33.512 21.744 31.140 1.00 10.38 H new ATOM 0 HA ILE B 216 31.795 19.889 31.710 1.00 9.83 H new ATOM 0 HB ILE B 216 31.874 21.471 29.349 1.00 10.16 H new ATOM 0 HG12 ILE B 216 31.552 22.790 31.232 1.00 11.19 H new ATOM 0 HG13 ILE B 216 30.245 22.795 30.383 1.00 11.19 H new ATOM 0 HG21 ILE B 216 29.655 20.835 28.967 1.00 7.71 H new ATOM 0 HG22 ILE B 216 30.598 19.563 28.939 1.00 7.71 H new ATOM 0 HG23 ILE B 216 29.718 19.868 30.219 1.00 7.71 H new ATOM 0 HD11 ILE B 216 29.696 22.582 32.657 1.00 11.65 H new ATOM 0 HD12 ILE B 216 29.242 21.270 31.895 1.00 11.65 H new ATOM 0 HD13 ILE B 216 30.570 21.265 32.758 1.00 11.65 H new ATOM 1489 N GLN B 217 33.773 19.119 29.308 1.00 10.83 N ATOM 1490 CA GLN B 217 34.286 17.990 28.527 1.00 12.93 C ATOM 1491 C GLN B 217 34.604 16.843 29.480 1.00 11.72 C ATOM 1492 O GLN B 217 34.143 15.714 29.309 1.00 11.27 O ATOM 1493 CB GLN B 217 35.601 18.342 27.816 1.00 13.62 C ATOM 1494 CG GLN B 217 35.536 19.273 26.623 1.00 18.99 C ATOM 1495 CD GLN B 217 36.914 19.472 25.997 1.00 20.92 C ATOM 1496 OE1 GLN B 217 37.543 18.514 25.535 1.00 17.02 O ATOM 1497 NE2 GLN B 217 37.396 20.716 25.993 1.00 17.39 N ATOM 0 H GLN B 217 34.191 19.861 29.187 1.00 10.83 H new ATOM 0 HA GLN B 217 33.611 17.756 27.871 1.00 12.93 H new ATOM 0 HB2 GLN B 217 36.196 18.739 28.471 1.00 13.62 H new ATOM 0 HB3 GLN B 217 36.012 17.513 27.524 1.00 13.62 H new ATOM 0 HG2 GLN B 217 34.927 18.911 25.961 1.00 18.99 H new ATOM 0 HG3 GLN B 217 35.177 20.131 26.899 1.00 18.99 H new ATOM 0 HE21 GLN B 217 36.930 21.359 26.323 1.00 17.39 H new ATOM 0 HE22 GLN B 217 38.173 20.875 25.660 1.00 17.39 H new ATOM 1498 N SER B 218 35.421 17.160 30.479 1.00 10.19 N ATOM 1499 CA SER B 218 35.874 16.190 31.465 1.00 9.65 C ATOM 1500 C SER B 218 34.759 15.623 32.323 1.00 9.61 C ATOM 1501 O SER B 218 34.746 14.428 32.613 1.00 11.35 O ATOM 1502 CB SER B 218 36.944 16.826 32.351 1.00 8.10 C ATOM 1503 OG SER B 218 38.037 17.253 31.556 1.00 9.85 O ATOM 0 H SER B 218 35.730 17.953 30.603 1.00 10.19 H new ATOM 0 HA SER B 218 36.240 15.440 30.970 1.00 9.65 H new ATOM 0 HB2 SER B 218 36.570 17.580 32.833 1.00 8.10 H new ATOM 0 HB3 SER B 218 37.247 16.187 33.015 1.00 8.10 H new ATOM 0 HG SER B 218 37.893 18.032 31.277 1.00 9.85 H new ATOM 1504 N LEU B 219 33.831 16.479 32.733 1.00 8.59 N ATOM 1505 CA LEU B 219 32.710 16.038 33.549 1.00 9.08 C ATOM 1506 C LEU B 219 31.900 14.997 32.786 1.00 8.33 C ATOM 1507 O LEU B 219 31.628 13.918 33.300 1.00 7.44 O ATOM 1508 CB LEU B 219 31.808 17.223 33.910 1.00 8.56 C ATOM 1509 CG LEU B 219 30.530 16.872 34.682 1.00 10.39 C ATOM 1510 CD1 LEU B 219 30.885 16.269 36.040 1.00 10.46 C ATOM 1511 CD2 LEU B 219 29.685 18.124 34.853 1.00 9.93 C ATOM 0 H LEU B 219 33.833 17.319 32.549 1.00 8.59 H new ATOM 0 HA LEU B 219 33.056 15.649 34.367 1.00 9.08 H new ATOM 0 HB2 LEU B 219 32.324 17.852 34.439 1.00 8.56 H new ATOM 0 HB3 LEU B 219 31.557 17.679 33.091 1.00 8.56 H new ATOM 0 HG LEU B 219 30.020 16.214 34.184 1.00 10.39 H new ATOM 0 HD11 LEU B 219 30.071 16.051 36.520 1.00 10.46 H new ATOM 0 HD12 LEU B 219 31.409 15.463 35.909 1.00 10.46 H new ATOM 0 HD13 LEU B 219 31.401 16.910 36.554 1.00 10.46 H new ATOM 0 HD21 LEU B 219 28.876 17.904 35.341 1.00 9.93 H new ATOM 0 HD22 LEU B 219 30.189 18.790 35.346 1.00 9.93 H new ATOM 0 HD23 LEU B 219 29.450 18.478 33.981 1.00 9.93 H new ATOM 1512 N CYS B 220 31.527 15.315 31.551 1.00 7.65 N ATOM 1513 CA CYS B 220 30.747 14.377 30.756 1.00 9.74 C ATOM 1514 C CYS B 220 31.475 13.051 30.545 1.00 10.18 C ATOM 1515 O CYS B 220 30.870 11.978 30.646 1.00 11.54 O ATOM 1516 CB CYS B 220 30.379 15.005 29.409 1.00 9.46 C ATOM 1517 SG CYS B 220 29.196 16.365 29.556 1.00 11.25 S ATOM 0 H CYS B 220 31.712 16.058 31.160 1.00 7.65 H new ATOM 0 HA CYS B 220 29.936 14.182 31.252 1.00 9.74 H new ATOM 0 HB2 CYS B 220 31.185 15.331 28.980 1.00 9.46 H new ATOM 0 HB3 CYS B 220 30.006 14.321 28.831 1.00 9.46 H new ATOM 0 HG CYS B 220 29.501 17.245 28.799 1.00 11.25 H new ATOM 1518 N ALA B 221 32.772 13.125 30.261 1.00 9.94 N ATOM 1519 CA ALA B 221 33.574 11.925 30.045 1.00 10.59 C ATOM 1520 C ALA B 221 33.602 11.042 31.291 1.00 11.15 C ATOM 1521 O ALA B 221 33.439 9.826 31.201 1.00 9.82 O ATOM 1522 CB ALA B 221 34.996 12.307 29.643 1.00 9.63 C ATOM 0 H ALA B 221 33.208 13.863 30.189 1.00 9.94 H new ATOM 0 HA ALA B 221 33.163 11.418 29.327 1.00 10.59 H new ATOM 0 HB1 ALA B 221 35.520 11.503 29.502 1.00 9.63 H new ATOM 0 HB2 ALA B 221 34.973 12.825 28.823 1.00 9.63 H new ATOM 0 HB3 ALA B 221 35.401 12.836 30.348 1.00 9.63 H new ATOM 1523 N MET B 222 33.801 11.650 32.456 1.00 11.10 N ATOM 1524 CA MET B 222 33.854 10.877 33.692 1.00 12.03 C ATOM 1525 C MET B 222 32.489 10.314 34.085 1.00 12.74 C ATOM 1526 O MET B 222 32.400 9.204 34.614 1.00 11.09 O ATOM 1527 CB MET B 222 34.445 11.726 34.826 1.00 11.94 C ATOM 1528 CG MET B 222 35.909 12.112 34.596 1.00 12.50 C ATOM 1529 SD MET B 222 37.035 10.691 34.405 1.00 13.93 S ATOM 1530 CE MET B 222 37.105 10.523 32.606 1.00 16.05 C ATOM 0 H MET B 222 33.906 12.498 32.553 1.00 11.10 H new ATOM 0 HA MET B 222 34.434 10.116 33.534 1.00 12.03 H new ATOM 0 HB2 MET B 222 33.916 12.533 34.926 1.00 11.94 H new ATOM 0 HB3 MET B 222 34.374 11.235 35.660 1.00 11.94 H new ATOM 0 HG2 MET B 222 35.966 12.666 33.802 1.00 12.50 H new ATOM 0 HG3 MET B 222 36.211 12.653 35.342 1.00 12.50 H new ATOM 0 HE1 MET B 222 36.828 9.628 32.353 1.00 16.05 H new ATOM 0 HE2 MET B 222 36.512 11.172 32.197 1.00 16.05 H new ATOM 0 HE3 MET B 222 38.013 10.678 32.301 1.00 16.05 H new ATOM 1531 N LEU B 223 31.426 11.068 33.827 1.00 10.88 N ATOM 1532 CA LEU B 223 30.086 10.586 34.143 1.00 10.59 C ATOM 1533 C LEU B 223 29.774 9.401 33.233 1.00 11.81 C ATOM 1534 O LEU B 223 29.259 8.375 33.673 1.00 10.06 O ATOM 1535 CB LEU B 223 29.044 11.694 33.930 1.00 11.27 C ATOM 1536 CG LEU B 223 28.844 12.698 35.073 1.00 8.72 C ATOM 1537 CD1 LEU B 223 27.990 13.868 34.606 1.00 10.03 C ATOM 1538 CD2 LEU B 223 28.188 11.998 36.253 1.00 9.82 C ATOM 0 H LEU B 223 31.457 11.852 33.474 1.00 10.88 H new ATOM 0 HA LEU B 223 30.051 10.316 35.074 1.00 10.59 H new ATOM 0 HB2 LEU B 223 29.291 12.190 33.134 1.00 11.27 H new ATOM 0 HB3 LEU B 223 28.190 11.272 33.747 1.00 11.27 H new ATOM 0 HG LEU B 223 29.707 13.044 35.349 1.00 8.72 H new ATOM 0 HD11 LEU B 223 27.871 14.494 35.337 1.00 10.03 H new ATOM 0 HD12 LEU B 223 28.430 14.315 33.866 1.00 10.03 H new ATOM 0 HD13 LEU B 223 27.124 13.541 34.317 1.00 10.03 H new ATOM 0 HD21 LEU B 223 28.061 12.632 36.976 1.00 9.82 H new ATOM 0 HD22 LEU B 223 27.328 11.642 35.981 1.00 9.82 H new ATOM 0 HD23 LEU B 223 28.756 11.272 36.556 1.00 9.82 H new ATOM 1539 N LYS B 224 30.106 9.545 31.956 1.00 12.48 N ATOM 1540 CA LYS B 224 29.854 8.488 30.992 1.00 13.49 C ATOM 1541 C LYS B 224 30.577 7.203 31.392 1.00 12.78 C ATOM 1542 O LYS B 224 30.032 6.104 31.282 1.00 11.69 O ATOM 1543 CB LYS B 224 30.323 8.932 29.606 1.00 17.13 C ATOM 1544 CG LYS B 224 29.716 8.149 28.457 1.00 24.30 C ATOM 1545 CD LYS B 224 30.164 8.707 27.108 1.00 27.60 C ATOM 1546 CE LYS B 224 30.020 10.231 27.047 1.00 30.34 C ATOM 1547 NZ LYS B 224 28.652 10.718 27.384 1.00 31.76 N ATOM 0 H LYS B 224 30.478 10.248 31.629 1.00 12.48 H new ATOM 0 HA LYS B 224 28.900 8.311 30.973 1.00 13.49 H new ATOM 0 HB2 LYS B 224 30.111 9.871 29.490 1.00 17.13 H new ATOM 0 HB3 LYS B 224 31.289 8.852 29.563 1.00 17.13 H new ATOM 0 HG2 LYS B 224 29.975 7.217 28.526 1.00 24.30 H new ATOM 0 HG3 LYS B 224 28.748 8.180 28.517 1.00 24.30 H new ATOM 0 HD2 LYS B 224 31.089 8.463 26.948 1.00 27.60 H new ATOM 0 HD3 LYS B 224 29.638 8.304 26.400 1.00 27.60 H new ATOM 0 HE2 LYS B 224 30.657 10.633 27.658 1.00 30.34 H new ATOM 0 HE3 LYS B 224 30.252 10.534 26.155 1.00 30.34 H new ATOM 0 HZ1 LYS B 224 28.357 11.249 26.733 1.00 31.76 H new ATOM 0 HZ2 LYS B 224 28.103 10.023 27.472 1.00 31.76 H new ATOM 0 HZ3 LYS B 224 28.679 11.173 28.148 1.00 31.76 H new ATOM 1548 N GLN B 225 31.805 7.349 31.868 1.00 11.10 N ATOM 1549 CA GLN B 225 32.610 6.199 32.255 1.00 13.28 C ATOM 1550 C GLN B 225 32.391 5.647 33.664 1.00 13.39 C ATOM 1551 O GLN B 225 32.557 4.446 33.888 1.00 12.98 O ATOM 1552 CB GLN B 225 34.090 6.547 32.062 1.00 15.80 C ATOM 1553 CG GLN B 225 35.079 5.580 32.694 1.00 17.61 C ATOM 1554 CD GLN B 225 36.513 5.878 32.290 1.00 20.76 C ATOM 1555 OE1 GLN B 225 36.886 7.037 32.073 1.00 20.97 O ATOM 1556 NE2 GLN B 225 37.331 4.832 32.196 1.00 19.50 N ATOM 0 H GLN B 225 32.193 8.109 31.975 1.00 11.10 H new ATOM 0 HA GLN B 225 32.315 5.480 31.674 1.00 13.28 H new ATOM 0 HB2 GLN B 225 34.273 6.596 31.111 1.00 15.80 H new ATOM 0 HB3 GLN B 225 34.248 7.432 32.427 1.00 15.80 H new ATOM 0 HG2 GLN B 225 35.001 5.626 33.660 1.00 17.61 H new ATOM 0 HG3 GLN B 225 34.853 4.673 32.434 1.00 17.61 H new ATOM 0 HE21 GLN B 225 37.036 4.040 32.354 1.00 19.50 H new ATOM 0 HE22 GLN B 225 38.154 4.948 31.977 1.00 19.50 H new ATOM 1557 N TYR B 226 31.985 6.499 34.601 1.00 10.99 N ATOM 1558 CA TYR B 226 31.835 6.061 35.987 1.00 12.11 C ATOM 1559 C TYR B 226 30.501 6.231 36.712 1.00 12.06 C ATOM 1560 O TYR B 226 30.373 5.790 37.856 1.00 13.20 O ATOM 1561 CB TYR B 226 32.916 6.740 36.827 1.00 11.44 C ATOM 1562 CG TYR B 226 34.324 6.417 36.397 1.00 14.69 C ATOM 1563 CD1 TYR B 226 34.844 5.129 36.551 1.00 13.92 C ATOM 1564 CD2 TYR B 226 35.141 7.396 35.833 1.00 12.68 C ATOM 1565 CE1 TYR B 226 36.140 4.829 36.153 1.00 14.63 C ATOM 1566 CE2 TYR B 226 36.438 7.104 35.434 1.00 17.04 C ATOM 1567 CZ TYR B 226 36.930 5.819 35.596 1.00 15.51 C ATOM 1568 OH TYR B 226 38.211 5.528 35.195 1.00 20.00 O ATOM 0 H TYR B 226 31.793 7.325 34.459 1.00 10.99 H new ATOM 0 HA TYR B 226 31.906 5.097 35.902 1.00 12.11 H new ATOM 0 HB2 TYR B 226 32.788 7.701 36.786 1.00 11.44 H new ATOM 0 HB3 TYR B 226 32.803 6.478 37.754 1.00 11.44 H new ATOM 0 HD1 TYR B 226 34.314 4.463 36.926 1.00 13.92 H new ATOM 0 HD2 TYR B 226 34.812 8.259 35.722 1.00 12.68 H new ATOM 0 HE1 TYR B 226 36.475 3.968 36.260 1.00 14.63 H new ATOM 0 HE2 TYR B 226 36.973 7.767 35.060 1.00 17.04 H new ATOM 0 HH TYR B 226 38.254 4.724 34.957 1.00 20.00 H new ATOM 1569 N ALA B 227 29.517 6.861 36.082 1.00 11.90 N ATOM 1570 CA ALA B 227 28.229 7.076 36.745 1.00 11.70 C ATOM 1571 C ALA B 227 27.561 5.799 37.260 1.00 13.15 C ATOM 1572 O ALA B 227 26.739 5.848 38.177 1.00 14.00 O ATOM 1573 CB ALA B 227 27.282 7.819 35.817 1.00 12.42 C ATOM 0 H ALA B 227 29.569 7.170 35.281 1.00 11.90 H new ATOM 0 HA ALA B 227 28.424 7.609 37.532 1.00 11.70 H new ATOM 0 HB1 ALA B 227 26.432 7.957 36.264 1.00 12.42 H new ATOM 0 HB2 ALA B 227 27.666 8.678 35.582 1.00 12.42 H new ATOM 0 HB3 ALA B 227 27.142 7.297 35.012 1.00 12.42 H new ATOM 1574 N ASP B 228 27.900 4.656 36.678 1.00 14.15 N ATOM 1575 CA ASP B 228 27.302 3.407 37.128 1.00 18.30 C ATOM 1576 C ASP B 228 28.299 2.592 37.943 1.00 19.55 C ATOM 1577 O ASP B 228 28.094 1.399 38.169 1.00 20.36 O ATOM 1578 CB ASP B 228 26.807 2.595 35.923 1.00 19.80 C ATOM 1579 CG ASP B 228 27.939 2.086 35.046 1.00 23.54 C ATOM 1580 OD1 ASP B 228 29.043 2.667 35.079 1.00 23.50 O ATOM 1581 OD2 ASP B 228 27.718 1.103 34.307 1.00 28.66 O ATOM 0 H ASP B 228 28.464 4.581 36.033 1.00 14.15 H new ATOM 0 HA ASP B 228 26.546 3.617 37.698 1.00 18.30 H new ATOM 0 HB2 ASP B 228 26.285 1.841 36.240 1.00 19.80 H new ATOM 0 HB3 ASP B 228 26.214 3.146 35.389 1.00 19.80 H new ATOM 1582 N LYS B 229 29.362 3.247 38.408 1.00 19.05 N ATOM 1583 CA LYS B 229 30.404 2.561 39.170 1.00 20.72 C ATOM 1584 C LYS B 229 30.936 3.296 40.402 1.00 19.84 C ATOM 1585 O LYS B 229 31.449 2.656 41.324 1.00 21.20 O ATOM 1586 CB LYS B 229 31.598 2.262 38.255 1.00 22.59 C ATOM 1587 CG LYS B 229 31.247 1.637 36.914 1.00 27.06 C ATOM 1588 CD LYS B 229 32.498 1.458 36.064 1.00 26.83 C ATOM 1589 CE LYS B 229 32.171 0.911 34.683 1.00 29.38 C ATOM 1590 NZ LYS B 229 31.337 1.854 33.876 1.00 28.82 N ATOM 0 H LYS B 229 29.498 4.088 38.293 1.00 19.05 H new ATOM 0 HA LYS B 229 29.966 1.761 39.501 1.00 20.72 H new ATOM 0 HB2 LYS B 229 32.079 3.089 38.094 1.00 22.59 H new ATOM 0 HB3 LYS B 229 32.205 1.668 38.723 1.00 22.59 H new ATOM 0 HG2 LYS B 229 30.819 0.778 37.054 1.00 27.06 H new ATOM 0 HG3 LYS B 229 30.609 2.199 36.446 1.00 27.06 H new ATOM 0 HD2 LYS B 229 32.953 2.310 35.975 1.00 26.83 H new ATOM 0 HD3 LYS B 229 33.111 0.855 36.514 1.00 26.83 H new ATOM 0 HE2 LYS B 229 32.996 0.726 34.208 1.00 29.38 H new ATOM 0 HE3 LYS B 229 31.702 0.067 34.775 1.00 29.38 H new ATOM 0 HZ1 LYS B 229 31.207 1.515 33.064 1.00 28.82 H new ATOM 0 HZ2 LYS B 229 30.551 1.973 34.277 1.00 28.82 H new ATOM 0 HZ3 LYS B 229 31.756 2.636 33.806 1.00 28.82 H new ATOM 1591 N LEU B 230 30.833 4.624 40.424 1.00 16.30 N ATOM 1592 CA LEU B 230 31.366 5.399 41.546 1.00 14.49 C ATOM 1593 C LEU B 230 30.414 6.418 42.168 1.00 13.02 C ATOM 1594 O LEU B 230 29.487 6.899 41.521 1.00 12.96 O ATOM 1595 CB LEU B 230 32.632 6.142 41.098 1.00 14.63 C ATOM 1596 CG LEU B 230 33.753 5.317 40.460 1.00 16.11 C ATOM 1597 CD1 LEU B 230 34.864 6.245 39.975 1.00 16.56 C ATOM 1598 CD2 LEU B 230 34.287 4.312 41.469 1.00 16.20 C ATOM 0 H LEU B 230 30.462 5.093 39.806 1.00 16.30 H new ATOM 0 HA LEU B 230 31.538 4.739 42.236 1.00 14.49 H new ATOM 0 HB2 LEU B 230 32.368 6.827 40.464 1.00 14.63 H new ATOM 0 HB3 LEU B 230 33.000 6.598 41.871 1.00 14.63 H new ATOM 0 HG LEU B 230 33.406 4.830 39.696 1.00 16.11 H new ATOM 0 HD11 LEU B 230 35.572 5.719 39.572 1.00 16.56 H new ATOM 0 HD12 LEU B 230 34.506 6.863 39.318 1.00 16.56 H new ATOM 0 HD13 LEU B 230 35.220 6.744 40.727 1.00 16.56 H new ATOM 0 HD21 LEU B 230 34.997 3.791 41.062 1.00 16.20 H new ATOM 0 HD22 LEU B 230 34.635 4.783 42.242 1.00 16.20 H new ATOM 0 HD23 LEU B 230 33.570 3.720 41.747 1.00 16.20 H new ATOM 1599 N GLU B 231 30.667 6.743 43.433 1.00 11.37 N ATOM 1600 CA GLU B 231 29.882 7.735 44.161 1.00 10.56 C ATOM 1601 C GLU B 231 30.228 9.081 43.502 1.00 10.01 C ATOM 1602 O GLU B 231 31.343 9.271 43.028 1.00 9.67 O ATOM 1603 CB GLU B 231 30.280 7.708 45.644 1.00 11.32 C ATOM 1604 CG GLU B 231 29.355 8.466 46.596 1.00 12.14 C ATOM 1605 CD GLU B 231 29.621 9.959 46.612 1.00 10.99 C ATOM 1606 OE1 GLU B 231 30.802 10.344 46.497 1.00 10.22 O ATOM 1607 OE2 GLU B 231 28.658 10.745 46.760 1.00 13.68 O ATOM 0 H GLU B 231 31.302 6.392 43.895 1.00 11.37 H new ATOM 0 HA GLU B 231 28.927 7.569 44.125 1.00 10.56 H new ATOM 0 HB2 GLU B 231 30.325 6.783 45.932 1.00 11.32 H new ATOM 0 HB3 GLU B 231 31.174 8.075 45.728 1.00 11.32 H new ATOM 0 HG2 GLU B 231 28.433 8.309 46.338 1.00 12.14 H new ATOM 0 HG3 GLU B 231 29.462 8.113 47.493 1.00 12.14 H new ATOM 1608 N PHE B 232 29.273 10.004 43.462 1.00 10.84 N ATOM 1609 CA PHE B 232 29.471 11.293 42.800 1.00 10.57 C ATOM 1610 C PHE B 232 30.730 12.090 43.152 1.00 9.41 C ATOM 1611 O PHE B 232 31.381 12.638 42.260 1.00 10.58 O ATOM 1612 CB PHE B 232 28.230 12.167 43.005 1.00 10.97 C ATOM 1613 CG PHE B 232 28.176 13.372 42.108 1.00 12.84 C ATOM 1614 CD1 PHE B 232 28.677 13.318 40.808 1.00 11.53 C ATOM 1615 CD2 PHE B 232 27.576 14.549 42.546 1.00 12.11 C ATOM 1616 CE1 PHE B 232 28.579 14.419 39.957 1.00 12.87 C ATOM 1617 CE2 PHE B 232 27.472 15.661 41.703 1.00 13.24 C ATOM 1618 CZ PHE B 232 27.973 15.595 40.407 1.00 10.62 C ATOM 0 H PHE B 232 28.495 9.904 43.815 1.00 10.84 H new ATOM 0 HA PHE B 232 29.611 11.054 41.870 1.00 10.57 H new ATOM 0 HB2 PHE B 232 27.438 11.628 42.855 1.00 10.97 H new ATOM 0 HB3 PHE B 232 28.202 12.461 43.929 1.00 10.97 H new ATOM 0 HD1 PHE B 232 29.082 12.538 40.504 1.00 11.53 H new ATOM 0 HD2 PHE B 232 27.239 14.597 43.412 1.00 12.11 H new ATOM 0 HE1 PHE B 232 28.916 14.370 39.092 1.00 12.87 H new ATOM 0 HE2 PHE B 232 27.069 16.442 42.008 1.00 13.24 H new ATOM 0 HZ PHE B 232 27.905 16.331 39.842 1.00 10.62 H new ATOM 1619 N MET B 233 31.077 12.169 44.433 1.00 7.65 N ATOM 1620 CA MET B 233 32.267 12.922 44.829 1.00 8.55 C ATOM 1621 C MET B 233 33.529 12.297 44.238 1.00 9.54 C ATOM 1622 O MET B 233 34.478 12.996 43.888 1.00 8.25 O ATOM 1623 CB MET B 233 32.389 12.978 46.356 1.00 8.12 C ATOM 1624 CG MET B 233 31.259 13.717 47.050 1.00 11.73 C ATOM 1625 SD MET B 233 31.198 15.460 46.614 1.00 17.52 S ATOM 1626 CE MET B 233 32.502 16.101 47.668 1.00 19.88 C ATOM 0 H MET B 233 30.646 11.801 45.080 1.00 7.65 H new ATOM 0 HA MET B 233 32.173 13.824 44.485 1.00 8.55 H new ATOM 0 HB2 MET B 233 32.427 12.072 46.700 1.00 8.12 H new ATOM 0 HB3 MET B 233 33.229 13.404 46.587 1.00 8.12 H new ATOM 0 HG2 MET B 233 30.415 13.300 46.818 1.00 11.73 H new ATOM 0 HG3 MET B 233 31.364 13.631 48.011 1.00 11.73 H new ATOM 0 HE1 MET B 233 32.563 17.063 47.558 1.00 19.88 H new ATOM 0 HE2 MET B 233 32.301 15.894 48.594 1.00 19.88 H new ATOM 0 HE3 MET B 233 33.347 15.693 47.422 1.00 19.88 H new ATOM 1627 N HIS B 234 33.542 10.974 44.129 1.00 9.12 N ATOM 1628 CA HIS B 234 34.698 10.300 43.568 1.00 9.51 C ATOM 1629 C HIS B 234 34.762 10.572 42.069 1.00 8.16 C ATOM 1630 O HIS B 234 35.844 10.703 41.502 1.00 9.09 O ATOM 1631 CB HIS B 234 34.624 8.802 43.878 1.00 13.20 C ATOM 1632 CG HIS B 234 34.835 8.488 45.328 1.00 19.15 C ATOM 1633 ND1 HIS B 234 34.670 7.225 45.853 1.00 22.86 N ATOM 1634 CD2 HIS B 234 35.214 9.278 46.362 1.00 20.80 C ATOM 1635 CE1 HIS B 234 34.937 7.250 47.147 1.00 21.37 C ATOM 1636 NE2 HIS B 234 35.269 8.484 47.481 1.00 22.51 N ATOM 0 H HIS B 234 32.899 10.456 44.371 1.00 9.12 H new ATOM 0 HA HIS B 234 35.513 10.640 43.968 1.00 9.51 H new ATOM 0 HB2 HIS B 234 33.758 8.463 43.602 1.00 13.20 H new ATOM 0 HB3 HIS B 234 35.292 8.335 43.352 1.00 13.20 H new ATOM 0 HD2 HIS B 234 35.402 10.188 46.321 1.00 20.80 H new ATOM 0 HE1 HIS B 234 34.898 6.522 47.725 1.00 21.37 H new ATOM 0 HE2 HIS B 234 35.485 8.747 48.271 1.00 22.51 H new ATOM 1637 N ILE B 235 33.598 10.680 41.434 1.00 9.60 N ATOM 1638 CA ILE B 235 33.551 10.976 40.009 1.00 8.63 C ATOM 1639 C ILE B 235 34.120 12.375 39.786 1.00 8.55 C ATOM 1640 O ILE B 235 34.964 12.581 38.912 1.00 8.77 O ATOM 1641 CB ILE B 235 32.102 10.937 39.465 1.00 7.65 C ATOM 1642 CG1 ILE B 235 31.567 9.502 39.517 1.00 8.43 C ATOM 1643 CG2 ILE B 235 32.070 11.461 38.031 1.00 10.74 C ATOM 1644 CD1 ILE B 235 30.116 9.365 39.101 1.00 6.75 C ATOM 0 H ILE B 235 32.830 10.586 41.809 1.00 9.60 H new ATOM 0 HA ILE B 235 34.069 10.304 39.539 1.00 8.63 H new ATOM 0 HB ILE B 235 31.539 11.503 40.016 1.00 7.65 H new ATOM 0 HG12 ILE B 235 32.112 8.943 38.941 1.00 8.43 H new ATOM 0 HG13 ILE B 235 31.668 9.162 40.420 1.00 8.43 H new ATOM 0 HG21 ILE B 235 31.160 11.434 37.697 1.00 10.74 H new ATOM 0 HG22 ILE B 235 32.393 12.375 38.013 1.00 10.74 H new ATOM 0 HG23 ILE B 235 32.636 10.907 37.471 1.00 10.74 H new ATOM 0 HD11 ILE B 235 29.849 8.434 39.159 1.00 6.75 H new ATOM 0 HD12 ILE B 235 29.559 9.898 39.690 1.00 6.75 H new ATOM 0 HD13 ILE B 235 30.010 9.675 38.188 1.00 6.75 H new ATOM 1645 N LEU B 236 33.660 13.330 40.590 1.00 7.84 N ATOM 1646 CA LEU B 236 34.120 14.709 40.480 1.00 8.34 C ATOM 1647 C LEU B 236 35.609 14.836 40.789 1.00 7.97 C ATOM 1648 O LEU B 236 36.281 15.716 40.263 1.00 8.85 O ATOM 1649 CB LEU B 236 33.304 15.617 41.402 1.00 6.10 C ATOM 1650 CG LEU B 236 31.839 15.832 41.002 1.00 7.96 C ATOM 1651 CD1 LEU B 236 31.140 16.684 42.055 1.00 7.92 C ATOM 1652 CD2 LEU B 236 31.771 16.510 39.634 1.00 5.55 C ATOM 0 H LEU B 236 33.078 13.198 41.209 1.00 7.84 H new ATOM 0 HA LEU B 236 33.988 14.990 39.561 1.00 8.34 H new ATOM 0 HB2 LEU B 236 33.326 15.244 42.297 1.00 6.10 H new ATOM 0 HB3 LEU B 236 33.740 16.482 41.445 1.00 6.10 H new ATOM 0 HG LEU B 236 31.389 14.974 40.946 1.00 7.96 H new ATOM 0 HD11 LEU B 236 30.214 16.819 41.800 1.00 7.92 H new ATOM 0 HD12 LEU B 236 31.176 16.233 42.913 1.00 7.92 H new ATOM 0 HD13 LEU B 236 31.584 17.544 42.123 1.00 7.92 H new ATOM 0 HD21 LEU B 236 30.843 16.644 39.385 1.00 5.55 H new ATOM 0 HD22 LEU B 236 32.222 17.368 39.675 1.00 5.55 H new ATOM 0 HD23 LEU B 236 32.205 15.949 38.973 1.00 5.55 H new ATOM 1653 N THR B 237 36.123 13.957 41.644 1.00 8.60 N ATOM 1654 CA THR B 237 37.539 13.982 41.968 1.00 7.89 C ATOM 1655 C THR B 237 38.298 13.546 40.714 1.00 8.73 C ATOM 1656 O THR B 237 39.359 14.081 40.410 1.00 7.58 O ATOM 1657 CB THR B 237 37.860 13.045 43.148 1.00 8.01 C ATOM 1658 OG1 THR B 237 37.219 13.544 44.329 1.00 9.25 O ATOM 1659 CG2 THR B 237 39.366 12.974 43.392 1.00 9.05 C ATOM 0 H THR B 237 35.671 13.344 42.043 1.00 8.60 H new ATOM 0 HA THR B 237 37.804 14.875 42.240 1.00 7.89 H new ATOM 0 HB THR B 237 37.537 12.156 42.935 1.00 8.01 H new ATOM 0 HG1 THR B 237 36.389 13.430 44.267 1.00 9.25 H new ATOM 0 HG21 THR B 237 39.546 12.380 44.138 1.00 9.05 H new ATOM 0 HG22 THR B 237 39.807 12.637 42.597 1.00 9.05 H new ATOM 0 HG23 THR B 237 39.703 13.860 43.597 1.00 9.05 H new ATOM 1660 N ARG B 238 37.746 12.578 39.985 1.00 8.16 N ATOM 1661 CA ARG B 238 38.369 12.121 38.743 1.00 9.59 C ATOM 1662 C ARG B 238 38.361 13.283 37.740 1.00 9.19 C ATOM 1663 O ARG B 238 39.304 13.451 36.964 1.00 8.39 O ATOM 1664 CB ARG B 238 37.604 10.934 38.141 1.00 11.51 C ATOM 1665 CG ARG B 238 37.640 9.644 38.952 1.00 17.11 C ATOM 1666 CD ARG B 238 39.060 9.166 39.202 1.00 22.95 C ATOM 1667 NE ARG B 238 39.084 7.821 39.776 1.00 28.08 N ATOM 1668 CZ ARG B 238 39.003 6.700 39.064 1.00 29.64 C ATOM 1669 NH1 ARG B 238 38.899 6.754 37.742 1.00 31.47 N ATOM 1670 NH2 ARG B 238 39.023 5.523 39.675 1.00 29.57 N ATOM 0 H ARG B 238 37.015 12.174 40.190 1.00 8.16 H new ATOM 0 HA ARG B 238 39.275 11.832 38.934 1.00 9.59 H new ATOM 0 HB2 ARG B 238 36.678 11.195 38.021 1.00 11.51 H new ATOM 0 HB3 ARG B 238 37.964 10.752 37.259 1.00 11.51 H new ATOM 0 HG2 ARG B 238 37.193 9.785 39.801 1.00 17.11 H new ATOM 0 HG3 ARG B 238 37.146 8.954 38.482 1.00 17.11 H new ATOM 0 HD2 ARG B 238 39.555 9.171 38.368 1.00 22.95 H new ATOM 0 HD3 ARG B 238 39.508 9.782 39.802 1.00 22.95 H new ATOM 0 HE ARG B 238 39.155 7.750 40.630 1.00 28.08 H new ATOM 0 HH11 ARG B 238 38.884 7.515 37.343 1.00 31.47 H new ATOM 0 HH12 ARG B 238 38.847 6.028 37.285 1.00 31.47 H new ATOM 0 HH21 ARG B 238 39.088 5.484 40.532 1.00 29.57 H new ATOM 0 HH22 ARG B 238 38.971 4.799 39.215 1.00 29.57 H new ATOM 1671 N VAL B 239 37.285 14.071 37.744 1.00 8.50 N ATOM 1672 CA VAL B 239 37.194 15.226 36.842 1.00 8.52 C ATOM 1673 C VAL B 239 38.294 16.226 37.221 1.00 9.11 C ATOM 1674 O VAL B 239 38.966 16.789 36.354 1.00 9.27 O ATOM 1675 CB VAL B 239 35.817 15.933 36.945 1.00 8.13 C ATOM 1676 CG1 VAL B 239 35.786 17.158 36.029 1.00 7.74 C ATOM 1677 CG2 VAL B 239 34.700 14.966 36.566 1.00 8.00 C ATOM 0 H VAL B 239 36.602 13.958 38.255 1.00 8.50 H new ATOM 0 HA VAL B 239 37.301 14.911 35.931 1.00 8.52 H new ATOM 0 HB VAL B 239 35.682 16.223 37.861 1.00 8.13 H new ATOM 0 HG11 VAL B 239 34.922 17.593 36.100 1.00 7.74 H new ATOM 0 HG12 VAL B 239 36.483 17.778 36.294 1.00 7.74 H new ATOM 0 HG13 VAL B 239 35.933 16.880 35.111 1.00 7.74 H new ATOM 0 HG21 VAL B 239 33.844 15.417 36.634 1.00 8.00 H new ATOM 0 HG22 VAL B 239 34.832 14.659 35.655 1.00 8.00 H new ATOM 0 HG23 VAL B 239 34.712 14.205 37.168 1.00 8.00 H new ATOM 1678 N ASN B 240 38.476 16.442 38.521 1.00 7.85 N ATOM 1679 CA ASN B 240 39.515 17.356 38.999 1.00 9.45 C ATOM 1680 C ASN B 240 40.885 16.952 38.442 1.00 7.93 C ATOM 1681 O ASN B 240 41.631 17.793 37.933 1.00 7.05 O ATOM 1682 CB ASN B 240 39.579 17.355 40.534 1.00 8.74 C ATOM 1683 CG ASN B 240 38.591 18.323 41.176 1.00 9.15 C ATOM 1684 OD1 ASN B 240 37.776 18.952 40.499 1.00 6.58 O ATOM 1685 ND2 ASN B 240 38.659 18.436 42.501 1.00 5.18 N ATOM 0 H ASN B 240 38.011 16.071 39.142 1.00 7.85 H new ATOM 0 HA ASN B 240 39.289 18.247 38.689 1.00 9.45 H new ATOM 0 HB2 ASN B 240 39.402 16.458 40.859 1.00 8.74 H new ATOM 0 HB3 ASN B 240 40.478 17.586 40.815 1.00 8.74 H new ATOM 0 HD21 ASN B 240 38.121 18.964 42.916 1.00 5.18 H new ATOM 0 HD22 ASN B 240 39.241 17.981 42.942 1.00 5.18 H new ATOM 1686 N ARG B 241 41.211 15.665 38.531 1.00 7.42 N ATOM 1687 CA ARG B 241 42.502 15.179 38.047 1.00 7.97 C ATOM 1688 C ARG B 241 42.663 15.271 36.534 1.00 7.96 C ATOM 1689 O ARG B 241 43.745 15.591 36.042 1.00 8.37 O ATOM 1690 CB ARG B 241 42.749 13.728 38.498 1.00 11.14 C ATOM 1691 CG ARG B 241 44.132 13.214 38.097 1.00 14.12 C ATOM 1692 CD ARG B 241 44.591 11.978 38.873 1.00 18.02 C ATOM 1693 NE ARG B 241 43.952 10.736 38.440 1.00 22.13 N ATOM 1694 CZ ARG B 241 42.950 10.137 39.077 1.00 25.16 C ATOM 1695 NH1 ARG B 241 42.447 10.662 40.190 1.00 25.48 N ATOM 1696 NH2 ARG B 241 42.463 8.993 38.612 1.00 22.74 N ATOM 0 H ARG B 241 40.702 15.059 38.867 1.00 7.42 H new ATOM 0 HA ARG B 241 43.163 15.768 38.442 1.00 7.97 H new ATOM 0 HB2 ARG B 241 42.654 13.672 39.462 1.00 11.14 H new ATOM 0 HB3 ARG B 241 42.070 13.153 38.112 1.00 11.14 H new ATOM 0 HG2 ARG B 241 44.126 13.005 37.150 1.00 14.12 H new ATOM 0 HG3 ARG B 241 44.780 13.924 38.227 1.00 14.12 H new ATOM 0 HD2 ARG B 241 45.552 11.887 38.779 1.00 18.02 H new ATOM 0 HD3 ARG B 241 44.409 12.113 39.816 1.00 18.02 H new ATOM 0 HE ARG B 241 44.245 10.366 37.721 1.00 22.13 H new ATOM 0 HH11 ARG B 241 42.770 11.395 40.504 1.00 25.48 H new ATOM 0 HH12 ARG B 241 41.799 10.269 40.596 1.00 25.48 H new ATOM 0 HH21 ARG B 241 42.795 8.642 37.901 1.00 22.74 H new ATOM 0 HH22 ARG B 241 41.815 8.603 39.022 1.00 22.74 H new ATOM 1697 N LYS B 242 41.595 14.985 35.796 1.00 8.16 N ATOM 1698 CA LYS B 242 41.648 15.046 34.339 1.00 7.61 C ATOM 1699 C LYS B 242 41.934 16.469 33.858 1.00 7.23 C ATOM 1700 O LYS B 242 42.796 16.692 33.007 1.00 7.22 O ATOM 1701 CB LYS B 242 40.323 14.554 33.745 1.00 10.31 C ATOM 1702 CG LYS B 242 40.314 14.475 32.225 1.00 13.07 C ATOM 1703 CD LYS B 242 38.962 14.003 31.702 1.00 16.39 C ATOM 1704 CE LYS B 242 38.903 14.038 30.176 1.00 20.09 C ATOM 1705 NZ LYS B 242 39.857 13.085 29.538 1.00 19.37 N ATOM 0 H LYS B 242 40.832 14.754 36.118 1.00 8.16 H new ATOM 0 HA LYS B 242 42.370 14.472 34.039 1.00 7.61 H new ATOM 0 HB2 LYS B 242 40.124 13.676 34.106 1.00 10.31 H new ATOM 0 HB3 LYS B 242 39.611 15.147 34.033 1.00 10.31 H new ATOM 0 HG2 LYS B 242 40.521 15.347 31.853 1.00 13.07 H new ATOM 0 HG3 LYS B 242 41.009 13.867 31.927 1.00 13.07 H new ATOM 0 HD2 LYS B 242 38.792 13.100 32.012 1.00 16.39 H new ATOM 0 HD3 LYS B 242 38.260 14.565 32.066 1.00 16.39 H new ATOM 0 HE2 LYS B 242 38.001 13.829 29.887 1.00 20.09 H new ATOM 0 HE3 LYS B 242 39.098 14.938 29.870 1.00 20.09 H new ATOM 0 HZ1 LYS B 242 39.756 13.110 28.654 1.00 19.37 H new ATOM 0 HZ2 LYS B 242 40.691 13.315 29.747 1.00 19.37 H new ATOM 0 HZ3 LYS B 242 39.694 12.261 29.832 1.00 19.37 H new ATOM 1706 N VAL B 243 41.207 17.433 34.408 1.00 7.75 N ATOM 1707 CA VAL B 243 41.386 18.826 34.027 1.00 7.66 C ATOM 1708 C VAL B 243 42.774 19.332 34.413 1.00 9.32 C ATOM 1709 O VAL B 243 43.446 20.001 33.628 1.00 9.76 O ATOM 1710 CB VAL B 243 40.316 19.715 34.699 1.00 6.78 C ATOM 1711 CG1 VAL B 243 40.621 21.190 34.452 1.00 7.03 C ATOM 1712 CG2 VAL B 243 38.931 19.356 34.151 1.00 7.29 C ATOM 0 H VAL B 243 40.603 17.300 35.006 1.00 7.75 H new ATOM 0 HA VAL B 243 41.291 18.877 33.063 1.00 7.66 H new ATOM 0 HB VAL B 243 40.328 19.558 35.656 1.00 6.78 H new ATOM 0 HG11 VAL B 243 39.943 21.737 34.879 1.00 7.03 H new ATOM 0 HG12 VAL B 243 41.491 21.407 34.822 1.00 7.03 H new ATOM 0 HG13 VAL B 243 40.624 21.365 33.498 1.00 7.03 H new ATOM 0 HG21 VAL B 243 38.261 19.915 34.574 1.00 7.29 H new ATOM 0 HG22 VAL B 243 38.915 19.501 33.192 1.00 7.29 H new ATOM 0 HG23 VAL B 243 38.740 18.424 34.340 1.00 7.29 H new ATOM 1713 N ALA B 244 43.200 18.997 35.625 1.00 7.85 N ATOM 1714 CA ALA B 244 44.493 19.426 36.140 1.00 9.23 C ATOM 1715 C ALA B 244 45.708 18.890 35.381 1.00 10.00 C ATOM 1716 O ALA B 244 46.705 19.590 35.213 1.00 9.38 O ATOM 1717 CB ALA B 244 44.604 19.037 37.615 1.00 10.94 C ATOM 0 H ALA B 244 42.746 18.514 36.173 1.00 7.85 H new ATOM 0 HA ALA B 244 44.515 20.388 36.017 1.00 9.23 H new ATOM 0 HB1 ALA B 244 45.464 19.321 37.961 1.00 10.94 H new ATOM 0 HB2 ALA B 244 43.895 19.468 38.118 1.00 10.94 H new ATOM 0 HB3 ALA B 244 44.523 18.074 37.703 1.00 10.94 H new ATOM 1718 N THR B 245 45.625 17.653 34.915 1.00 12.16 N ATOM 1719 CA THR B 245 46.760 17.047 34.237 1.00 13.21 C ATOM 1720 C THR B 245 46.768 17.113 32.717 1.00 14.58 C ATOM 1721 O THR B 245 47.819 17.286 32.108 1.00 16.20 O ATOM 1722 CB THR B 245 46.904 15.567 34.651 1.00 15.32 C ATOM 1723 OG1 THR B 245 45.733 14.841 34.258 1.00 13.97 O ATOM 1724 CG2 THR B 245 47.075 15.453 36.160 1.00 15.76 C ATOM 0 H THR B 245 44.929 17.152 34.980 1.00 12.16 H new ATOM 0 HA THR B 245 47.507 17.593 34.527 1.00 13.21 H new ATOM 0 HB THR B 245 47.686 15.197 34.212 1.00 15.32 H new ATOM 0 HG1 THR B 245 45.094 15.044 34.764 1.00 13.97 H new ATOM 0 HG21 THR B 245 47.164 14.519 36.406 1.00 15.76 H new ATOM 0 HG22 THR B 245 47.870 15.936 36.433 1.00 15.76 H new ATOM 0 HG23 THR B 245 46.299 15.831 36.603 1.00 15.76 H new ATOM 1725 N GLU B 246 45.597 16.992 32.107 1.00 14.94 N ATOM 1726 CA GLU B 246 45.502 16.970 30.654 1.00 15.58 C ATOM 1727 C GLU B 246 45.347 18.287 29.907 1.00 16.75 C ATOM 1728 O GLU B 246 45.553 18.330 28.695 1.00 17.97 O ATOM 1729 CB GLU B 246 44.367 16.027 30.252 1.00 17.78 C ATOM 1730 CG GLU B 246 44.692 14.557 30.497 1.00 20.79 C ATOM 1731 CD GLU B 246 43.461 13.672 30.510 1.00 23.05 C ATOM 1732 OE1 GLU B 246 42.549 13.898 29.688 1.00 20.80 O ATOM 1733 OE2 GLU B 246 43.411 12.741 31.341 1.00 24.22 O ATOM 0 H GLU B 246 44.844 16.921 32.516 1.00 14.94 H new ATOM 0 HA GLU B 246 46.383 16.672 30.378 1.00 15.58 H new ATOM 0 HB2 GLU B 246 43.568 16.263 30.748 1.00 17.78 H new ATOM 0 HB3 GLU B 246 44.165 16.155 29.312 1.00 17.78 H new ATOM 0 HG2 GLU B 246 45.300 14.246 29.808 1.00 20.79 H new ATOM 0 HG3 GLU B 246 45.155 14.470 31.345 1.00 20.79 H new ATOM 1734 N PHE B 247 45.000 19.359 30.608 1.00 14.23 N ATOM 1735 CA PHE B 247 44.794 20.637 29.940 1.00 14.92 C ATOM 1736 C PHE B 247 45.764 21.754 30.307 1.00 14.45 C ATOM 1737 O PHE B 247 46.151 21.915 31.461 1.00 12.80 O ATOM 1738 CB PHE B 247 43.364 21.120 30.198 1.00 15.82 C ATOM 1739 CG PHE B 247 42.304 20.229 29.608 1.00 16.71 C ATOM 1740 CD1 PHE B 247 41.904 20.383 28.286 1.00 17.30 C ATOM 1741 CD2 PHE B 247 41.698 19.243 30.380 1.00 16.96 C ATOM 1742 CE1 PHE B 247 40.909 19.569 27.743 1.00 17.63 C ATOM 1743 CE2 PHE B 247 40.706 18.425 29.847 1.00 17.30 C ATOM 1744 CZ PHE B 247 40.310 18.588 28.527 1.00 16.68 C ATOM 0 H PHE B 247 44.880 19.369 31.460 1.00 14.23 H new ATOM 0 HA PHE B 247 44.963 20.452 29.003 1.00 14.92 H new ATOM 0 HB2 PHE B 247 43.222 21.186 31.155 1.00 15.82 H new ATOM 0 HB3 PHE B 247 43.263 22.013 29.834 1.00 15.82 H new ATOM 0 HD1 PHE B 247 42.304 21.036 27.758 1.00 17.30 H new ATOM 0 HD2 PHE B 247 41.960 19.129 31.265 1.00 16.96 H new ATOM 0 HE1 PHE B 247 40.647 19.682 26.858 1.00 17.63 H new ATOM 0 HE2 PHE B 247 40.309 17.770 30.375 1.00 17.30 H new ATOM 0 HZ PHE B 247 39.647 18.044 28.168 1.00 16.68 H new ATOM 1745 N GLU B 248 46.146 22.522 29.295 1.00 14.38 N ATOM 1746 CA GLU B 248 47.030 23.664 29.457 1.00 13.62 C ATOM 1747 C GLU B 248 46.666 24.616 28.325 1.00 13.37 C ATOM 1748 O GLU B 248 46.548 24.198 27.176 1.00 12.12 O ATOM 1749 CB GLU B 248 48.500 23.239 29.366 1.00 14.75 C ATOM 1750 CG GLU B 248 49.466 24.406 29.427 1.00 15.82 C ATOM 1751 CD GLU B 248 50.912 23.980 29.602 1.00 19.15 C ATOM 1752 OE1 GLU B 248 51.793 24.704 29.100 1.00 19.00 O ATOM 1753 OE2 GLU B 248 51.168 22.938 30.248 1.00 17.85 O ATOM 0 H GLU B 248 45.894 22.391 28.483 1.00 14.38 H new ATOM 0 HA GLU B 248 46.924 24.081 30.326 1.00 13.62 H new ATOM 0 HB2 GLU B 248 48.698 22.625 30.090 1.00 14.75 H new ATOM 0 HB3 GLU B 248 48.640 22.755 28.537 1.00 14.75 H new ATOM 0 HG2 GLU B 248 49.385 24.927 28.613 1.00 15.82 H new ATOM 0 HG3 GLU B 248 49.215 24.987 30.162 1.00 15.82 H new ATOM 1754 N SER B 249 46.477 25.892 28.645 1.00 11.94 N ATOM 1755 CA SER B 249 46.081 26.863 27.632 1.00 11.98 C ATOM 1756 C SER B 249 47.148 27.183 26.593 1.00 13.49 C ATOM 1757 O SER B 249 48.346 27.020 26.831 1.00 12.52 O ATOM 1758 CB SER B 249 45.634 28.172 28.294 1.00 11.43 C ATOM 1759 OG SER B 249 46.740 28.886 28.817 1.00 11.86 O ATOM 0 H SER B 249 46.572 26.214 29.437 1.00 11.94 H new ATOM 0 HA SER B 249 45.351 26.437 27.156 1.00 11.98 H new ATOM 0 HB2 SER B 249 45.168 28.723 27.645 1.00 11.43 H new ATOM 0 HB3 SER B 249 45.005 27.979 29.006 1.00 11.43 H new ATOM 0 HG SER B 249 46.671 29.698 28.613 1.00 11.86 H new ATOM 1760 N PHE B 250 46.682 27.629 25.431 1.00 13.16 N ATOM 1761 CA PHE B 250 47.551 28.038 24.338 1.00 12.87 C ATOM 1762 C PHE B 250 47.036 29.402 23.911 1.00 12.79 C ATOM 1763 O PHE B 250 45.862 29.548 23.564 1.00 14.06 O ATOM 1764 CB PHE B 250 47.458 27.076 23.153 1.00 14.95 C ATOM 1765 CG PHE B 250 48.321 27.476 21.983 1.00 17.13 C ATOM 1766 CD1 PHE B 250 49.676 27.159 21.957 1.00 15.98 C ATOM 1767 CD2 PHE B 250 47.784 28.200 20.925 1.00 18.48 C ATOM 1768 CE1 PHE B 250 50.485 27.559 20.891 1.00 19.32 C ATOM 1769 CE2 PHE B 250 48.585 28.607 19.853 1.00 19.58 C ATOM 1770 CZ PHE B 250 49.936 28.286 19.836 1.00 15.98 C ATOM 0 H PHE B 250 45.843 27.703 25.255 1.00 13.16 H new ATOM 0 HA PHE B 250 48.479 28.050 24.622 1.00 12.87 H new ATOM 0 HB2 PHE B 250 47.715 26.188 23.446 1.00 14.95 H new ATOM 0 HB3 PHE B 250 46.535 27.022 22.861 1.00 14.95 H new ATOM 0 HD1 PHE B 250 50.048 26.675 22.659 1.00 15.98 H new ATOM 0 HD2 PHE B 250 46.880 28.417 20.930 1.00 18.48 H new ATOM 0 HE1 PHE B 250 51.389 27.341 20.885 1.00 19.32 H new ATOM 0 HE2 PHE B 250 48.213 29.092 19.152 1.00 19.58 H new ATOM 0 HZ PHE B 250 50.471 28.555 19.125 1.00 15.98 H new ATOM 1771 N SER B 251 47.900 30.407 23.944 1.00 11.88 N ATOM 1772 CA SER B 251 47.487 31.745 23.553 1.00 12.16 C ATOM 1773 C SER B 251 48.626 32.515 22.917 1.00 12.84 C ATOM 1774 O SER B 251 49.786 32.362 23.302 1.00 12.96 O ATOM 1775 CB SER B 251 46.983 32.518 24.774 1.00 9.06 C ATOM 1776 OG SER B 251 46.665 33.853 24.430 1.00 12.58 O ATOM 0 H SER B 251 48.722 30.337 24.187 1.00 11.88 H new ATOM 0 HA SER B 251 46.775 31.651 22.901 1.00 12.16 H new ATOM 0 HB2 SER B 251 46.199 32.078 25.139 1.00 9.06 H new ATOM 0 HB3 SER B 251 47.661 32.511 25.468 1.00 9.06 H new ATOM 0 HG SER B 251 45.832 33.933 24.359 1.00 12.58 H new ATOM 1777 N PHE B 252 48.292 33.336 21.930 1.00 13.99 N ATOM 1778 CA PHE B 252 49.292 34.158 21.268 1.00 13.61 C ATOM 1779 C PHE B 252 49.682 35.272 22.236 1.00 14.62 C ATOM 1780 O PHE B 252 50.716 35.915 22.077 1.00 14.25 O ATOM 1781 CB PHE B 252 48.714 34.730 19.970 1.00 15.20 C ATOM 1782 CG PHE B 252 48.534 33.700 18.884 1.00 15.57 C ATOM 1783 CD1 PHE B 252 47.546 33.851 17.917 1.00 19.29 C ATOM 1784 CD2 PHE B 252 49.359 32.579 18.828 1.00 18.36 C ATOM 1785 CE1 PHE B 252 47.379 32.899 16.910 1.00 19.81 C ATOM 1786 CE2 PHE B 252 49.202 31.621 17.827 1.00 18.09 C ATOM 1787 CZ PHE B 252 48.212 31.781 16.868 1.00 19.14 C ATOM 0 H PHE B 252 47.492 33.431 21.629 1.00 13.99 H new ATOM 0 HA PHE B 252 50.076 33.637 21.034 1.00 13.61 H new ATOM 0 HB2 PHE B 252 47.856 35.141 20.160 1.00 15.20 H new ATOM 0 HB3 PHE B 252 49.300 35.432 19.646 1.00 15.20 H new ATOM 0 HD1 PHE B 252 46.990 34.596 17.942 1.00 19.29 H new ATOM 0 HD2 PHE B 252 50.025 32.468 19.468 1.00 18.36 H new ATOM 0 HE1 PHE B 252 46.714 33.010 16.269 1.00 19.81 H new ATOM 0 HE2 PHE B 252 49.759 30.877 17.802 1.00 18.09 H new ATOM 0 HZ PHE B 252 48.104 31.144 16.199 1.00 19.14 H new ATOM 1788 N ASP B 253 48.837 35.489 23.243 1.00 14.40 N ATOM 1789 CA ASP B 253 49.087 36.497 24.267 1.00 14.13 C ATOM 1790 C ASP B 253 49.815 35.782 25.400 1.00 14.33 C ATOM 1791 O ASP B 253 49.240 34.932 26.080 1.00 13.10 O ATOM 1792 CB ASP B 253 47.768 37.077 24.793 1.00 16.71 C ATOM 1793 CG ASP B 253 47.977 38.185 25.817 1.00 17.27 C ATOM 1794 OD1 ASP B 253 49.086 38.292 26.379 1.00 19.50 O ATOM 1795 OD2 ASP B 253 47.023 38.949 26.071 1.00 20.30 O ATOM 0 H ASP B 253 48.103 35.055 23.350 1.00 14.40 H new ATOM 0 HA ASP B 253 49.607 37.232 23.906 1.00 14.13 H new ATOM 0 HB2 ASP B 253 47.252 37.424 24.048 1.00 16.71 H new ATOM 0 HB3 ASP B 253 47.244 36.366 25.194 1.00 16.71 H new ATOM 1796 N ALA B 254 51.084 36.124 25.591 1.00 14.66 N ATOM 1797 CA ALA B 254 51.901 35.504 26.627 1.00 14.90 C ATOM 1798 C ALA B 254 51.223 35.511 27.995 1.00 15.56 C ATOM 1799 O ALA B 254 51.411 34.589 28.789 1.00 14.79 O ATOM 1800 CB ALA B 254 53.249 36.210 26.709 1.00 16.09 C ATOM 0 H ALA B 254 51.494 36.720 25.126 1.00 14.66 H new ATOM 0 HA ALA B 254 52.026 34.575 26.378 1.00 14.90 H new ATOM 0 HB1 ALA B 254 53.790 35.795 27.399 1.00 16.09 H new ATOM 0 HB2 ALA B 254 53.704 36.139 25.855 1.00 16.09 H new ATOM 0 HB3 ALA B 254 53.112 37.146 26.925 1.00 16.09 H new ATOM 1801 N THR B 255 50.440 36.551 28.267 1.00 15.04 N ATOM 1802 CA THR B 255 49.749 36.675 29.548 1.00 16.23 C ATOM 1803 C THR B 255 48.813 35.498 29.817 1.00 14.64 C ATOM 1804 O THR B 255 48.713 35.022 30.947 1.00 15.45 O ATOM 1805 CB THR B 255 48.915 37.981 29.613 1.00 17.11 C ATOM 1806 OG1 THR B 255 49.785 39.113 29.506 1.00 20.74 O ATOM 1807 CG2 THR B 255 48.148 38.062 30.926 1.00 19.97 C ATOM 0 H THR B 255 50.295 37.199 27.721 1.00 15.04 H new ATOM 0 HA THR B 255 50.444 36.689 30.224 1.00 16.23 H new ATOM 0 HB THR B 255 48.282 37.979 28.878 1.00 17.11 H new ATOM 0 HG1 THR B 255 49.723 39.443 28.736 1.00 20.74 H new ATOM 0 HG21 THR B 255 47.633 38.883 30.950 1.00 19.97 H new ATOM 0 HG22 THR B 255 47.549 37.303 30.998 1.00 19.97 H new ATOM 0 HG23 THR B 255 48.773 38.051 31.667 1.00 19.97 H new ATOM 1808 N PHE B 256 48.135 35.029 28.776 1.00 12.72 N ATOM 1809 CA PHE B 256 47.191 33.926 28.918 1.00 13.44 C ATOM 1810 C PHE B 256 47.705 32.578 28.418 1.00 12.22 C ATOM 1811 O PHE B 256 46.950 31.608 28.353 1.00 13.17 O ATOM 1812 CB PHE B 256 45.894 34.254 28.175 1.00 13.33 C ATOM 1813 CG PHE B 256 45.096 35.355 28.802 1.00 15.16 C ATOM 1814 CD1 PHE B 256 45.490 36.682 28.677 1.00 17.89 C ATOM 1815 CD2 PHE B 256 43.948 35.063 29.527 1.00 16.60 C ATOM 1816 CE1 PHE B 256 44.748 37.706 29.268 1.00 15.68 C ATOM 1817 CE2 PHE B 256 43.201 36.079 30.120 1.00 18.00 C ATOM 1818 CZ PHE B 256 43.604 37.400 29.989 1.00 16.53 C ATOM 0 H PHE B 256 48.207 35.336 27.976 1.00 12.72 H new ATOM 0 HA PHE B 256 47.048 33.834 29.873 1.00 13.44 H new ATOM 0 HB2 PHE B 256 46.109 34.502 27.262 1.00 13.33 H new ATOM 0 HB3 PHE B 256 45.346 33.455 28.131 1.00 13.33 H new ATOM 0 HD1 PHE B 256 46.257 36.890 28.194 1.00 17.89 H new ATOM 0 HD2 PHE B 256 43.674 34.179 29.618 1.00 16.60 H new ATOM 0 HE1 PHE B 256 45.020 38.591 29.178 1.00 15.68 H new ATOM 0 HE2 PHE B 256 42.434 35.872 30.603 1.00 18.00 H new ATOM 0 HZ PHE B 256 43.107 38.080 30.384 1.00 16.53 H new ATOM 1819 N HIS B 257 48.981 32.513 28.071 1.00 11.39 N ATOM 1820 CA HIS B 257 49.548 31.277 27.552 1.00 10.84 C ATOM 1821 C HIS B 257 50.101 30.324 28.606 1.00 9.60 C ATOM 1822 O HIS B 257 50.665 30.751 29.609 1.00 9.12 O ATOM 1823 CB HIS B 257 50.658 31.605 26.547 1.00 10.12 C ATOM 1824 CG HIS B 257 51.348 30.397 25.997 1.00 11.35 C ATOM 1825 ND1 HIS B 257 50.694 29.449 25.241 1.00 9.98 N ATOM 1826 CD2 HIS B 257 52.630 29.974 26.106 1.00 10.97 C ATOM 1827 CE1 HIS B 257 51.543 28.492 24.909 1.00 11.07 C ATOM 1828 NE2 HIS B 257 52.724 28.786 25.421 1.00 10.30 N ATOM 0 H HIS B 257 49.534 33.169 28.127 1.00 11.39 H new ATOM 0 HA HIS B 257 48.806 30.811 27.135 1.00 10.84 H new ATOM 0 HB2 HIS B 257 50.279 32.113 25.813 1.00 10.12 H new ATOM 0 HB3 HIS B 257 51.315 32.175 26.977 1.00 10.12 H new ATOM 0 HD2 HIS B 257 53.318 30.406 26.559 1.00 10.97 H new ATOM 0 HE1 HIS B 257 51.343 27.739 24.401 1.00 11.07 H new ATOM 0 HE2 HIS B 257 53.436 28.311 25.339 1.00 10.30 H new ATOM 1829 N ALA B 258 49.942 29.028 28.344 1.00 10.66 N ATOM 1830 CA ALA B 258 50.437 27.962 29.209 1.00 10.75 C ATOM 1831 C ALA B 258 49.877 27.973 30.626 1.00 12.22 C ATOM 1832 O ALA B 258 50.602 27.702 31.585 1.00 10.99 O ATOM 1833 CB ALA B 258 51.962 28.003 29.253 1.00 13.40 C ATOM 0 H ALA B 258 49.535 28.739 27.644 1.00 10.66 H new ATOM 0 HA ALA B 258 50.121 27.135 28.813 1.00 10.75 H new ATOM 0 HB1 ALA B 258 52.289 27.294 29.828 1.00 13.40 H new ATOM 0 HB2 ALA B 258 52.315 27.881 28.358 1.00 13.40 H new ATOM 0 HB3 ALA B 258 52.253 28.861 29.601 1.00 13.40 H new ATOM 1834 N LYS B 259 48.587 28.264 30.756 1.00 11.39 N ATOM 1835 CA LYS B 259 47.962 28.302 32.073 1.00 10.46 C ATOM 1836 C LYS B 259 47.232 27.001 32.396 1.00 10.62 C ATOM 1837 O LYS B 259 46.854 26.237 31.503 1.00 9.23 O ATOM 1838 CB LYS B 259 47.005 29.492 32.165 1.00 10.14 C ATOM 1839 CG LYS B 259 47.675 30.830 31.848 1.00 12.82 C ATOM 1840 CD LYS B 259 48.862 31.100 32.777 1.00 15.71 C ATOM 1841 CE LYS B 259 49.593 32.379 32.388 1.00 18.72 C ATOM 1842 NZ LYS B 259 50.775 32.635 33.257 1.00 17.71 N ATOM 0 H LYS B 259 48.060 28.441 30.100 1.00 11.39 H new ATOM 0 HA LYS B 259 48.666 28.407 32.732 1.00 10.46 H new ATOM 0 HB2 LYS B 259 46.266 29.354 31.552 1.00 10.14 H new ATOM 0 HB3 LYS B 259 46.629 29.529 33.058 1.00 10.14 H new ATOM 0 HG2 LYS B 259 47.978 30.831 30.926 1.00 12.82 H new ATOM 0 HG3 LYS B 259 47.026 31.546 31.934 1.00 12.82 H new ATOM 0 HD2 LYS B 259 48.549 31.170 33.692 1.00 15.71 H new ATOM 0 HD3 LYS B 259 49.477 30.351 32.744 1.00 15.71 H new ATOM 0 HE2 LYS B 259 49.880 32.318 31.463 1.00 18.72 H new ATOM 0 HE3 LYS B 259 48.982 33.130 32.446 1.00 18.72 H new ATOM 0 HZ1 LYS B 259 51.166 33.395 33.010 1.00 17.71 H new ATOM 0 HZ2 LYS B 259 50.512 32.699 34.105 1.00 17.71 H new ATOM 0 HZ3 LYS B 259 51.354 31.964 33.176 1.00 17.71 H new ATOM 1843 N LYS B 260 47.040 26.761 33.689 1.00 10.42 N ATOM 1844 CA LYS B 260 46.393 25.551 34.165 1.00 10.39 C ATOM 1845 C LYS B 260 45.077 25.849 34.864 1.00 10.82 C ATOM 1846 O LYS B 260 44.753 27.007 35.126 1.00 11.33 O ATOM 1847 CB LYS B 260 47.328 24.823 35.129 1.00 9.37 C ATOM 1848 CG LYS B 260 48.673 24.449 34.527 1.00 9.72 C ATOM 1849 CD LYS B 260 48.533 23.349 33.489 1.00 7.99 C ATOM 1850 CE LYS B 260 48.065 22.053 34.131 1.00 7.30 C ATOM 1851 NZ LYS B 260 48.067 20.930 33.161 1.00 5.86 N ATOM 0 H LYS B 260 47.283 27.299 34.314 1.00 10.42 H new ATOM 0 HA LYS B 260 46.200 24.994 33.395 1.00 10.39 H new ATOM 0 HB2 LYS B 260 47.477 25.385 35.906 1.00 9.37 H new ATOM 0 HB3 LYS B 260 46.889 24.017 35.442 1.00 9.37 H new ATOM 0 HG2 LYS B 260 49.075 25.232 34.118 1.00 9.72 H new ATOM 0 HG3 LYS B 260 49.273 24.157 35.231 1.00 9.72 H new ATOM 0 HD2 LYS B 260 47.901 23.622 32.806 1.00 7.99 H new ATOM 0 HD3 LYS B 260 49.384 23.206 33.047 1.00 7.99 H new ATOM 0 HE2 LYS B 260 48.642 21.835 34.880 1.00 7.30 H new ATOM 0 HE3 LYS B 260 47.171 22.172 34.487 1.00 7.30 H new ATOM 0 HZ1 LYS B 260 47.803 20.184 33.569 1.00 5.86 H new ATOM 0 HZ2 LYS B 260 47.510 21.115 32.492 1.00 5.86 H new ATOM 0 HZ3 LYS B 260 48.889 20.817 32.840 1.00 5.86 H new ATOM 1852 N GLN B 261 44.335 24.789 35.178 1.00 10.18 N ATOM 1853 CA GLN B 261 43.047 24.924 35.842 1.00 9.56 C ATOM 1854 C GLN B 261 42.738 23.732 36.744 1.00 10.28 C ATOM 1855 O GLN B 261 43.035 22.582 36.408 1.00 9.67 O ATOM 1856 CB GLN B 261 41.938 25.065 34.793 1.00 10.14 C ATOM 1857 CG GLN B 261 40.546 25.309 35.355 1.00 8.90 C ATOM 1858 CD GLN B 261 39.529 25.597 34.263 1.00 12.14 C ATOM 1859 OE1 GLN B 261 39.765 26.431 33.392 1.00 12.53 O ATOM 1860 NE2 GLN B 261 38.390 24.910 34.308 1.00 11.69 N ATOM 0 H GLN B 261 44.565 23.977 35.012 1.00 10.18 H new ATOM 0 HA GLN B 261 43.088 25.717 36.399 1.00 9.56 H new ATOM 0 HB2 GLN B 261 42.165 25.798 34.199 1.00 10.14 H new ATOM 0 HB3 GLN B 261 41.917 24.259 34.254 1.00 10.14 H new ATOM 0 HG2 GLN B 261 40.263 24.532 35.862 1.00 8.90 H new ATOM 0 HG3 GLN B 261 40.575 26.056 35.973 1.00 8.90 H new ATOM 0 HE21 GLN B 261 38.260 24.334 34.933 1.00 11.69 H new ATOM 0 HE22 GLN B 261 37.784 25.042 33.712 1.00 11.69 H new ATOM 1861 N ILE B 262 42.133 24.013 37.890 1.00 8.31 N ATOM 1862 CA ILE B 262 41.761 22.955 38.818 1.00 11.20 C ATOM 1863 C ILE B 262 40.310 23.214 39.231 1.00 9.15 C ATOM 1864 O ILE B 262 39.998 24.257 39.805 1.00 11.44 O ATOM 1865 CB ILE B 262 42.729 22.933 40.051 1.00 12.34 C ATOM 1866 CG1 ILE B 262 42.554 21.634 40.844 1.00 16.03 C ATOM 1867 CG2 ILE B 262 42.518 24.167 40.927 1.00 15.21 C ATOM 1868 CD1 ILE B 262 41.345 21.591 41.721 1.00 20.48 C ATOM 0 H ILE B 262 41.929 24.807 38.149 1.00 8.31 H new ATOM 0 HA ILE B 262 41.835 22.081 38.403 1.00 11.20 H new ATOM 0 HB ILE B 262 43.644 22.961 39.731 1.00 12.34 H new ATOM 0 HG12 ILE B 262 42.511 20.893 40.220 1.00 16.03 H new ATOM 0 HG13 ILE B 262 43.341 21.497 41.394 1.00 16.03 H new ATOM 0 HG21 ILE B 262 43.125 24.135 41.683 1.00 15.21 H new ATOM 0 HG22 ILE B 262 42.692 24.967 40.407 1.00 15.21 H new ATOM 0 HG23 ILE B 262 41.603 24.184 41.248 1.00 15.21 H new ATOM 0 HD11 ILE B 262 41.311 20.739 42.184 1.00 20.48 H new ATOM 0 HD12 ILE B 262 41.390 22.310 42.371 1.00 20.48 H new ATOM 0 HD13 ILE B 262 40.548 21.696 41.179 1.00 20.48 H new ATOM 1869 N PRO B 263 39.391 22.292 38.886 1.00 10.29 N ATOM 1870 CA PRO B 263 37.980 22.475 39.251 1.00 9.81 C ATOM 1871 C PRO B 263 37.845 22.553 40.766 1.00 10.91 C ATOM 1872 O PRO B 263 38.783 22.234 41.490 1.00 11.60 O ATOM 1873 CB PRO B 263 37.303 21.242 38.661 1.00 10.06 C ATOM 1874 CG PRO B 263 38.156 20.933 37.467 1.00 9.61 C ATOM 1875 CD PRO B 263 39.552 21.115 38.015 1.00 10.13 C ATOM 0 HA PRO B 263 37.582 23.294 38.917 1.00 9.81 H new ATOM 0 HB2 PRO B 263 37.286 20.505 39.291 1.00 10.06 H new ATOM 0 HB3 PRO B 263 36.384 21.422 38.410 1.00 10.06 H new ATOM 0 HG2 PRO B 263 38.010 20.031 37.141 1.00 9.61 H new ATOM 0 HG3 PRO B 263 37.976 21.535 36.728 1.00 9.61 H new ATOM 0 HD2 PRO B 263 39.852 20.336 38.509 1.00 10.13 H new ATOM 0 HD3 PRO B 263 40.201 21.271 37.311 1.00 10.13 H new ATOM 1876 N CYS B 264 36.674 22.952 41.245 1.00 9.72 N ATOM 1877 CA CYS B 264 36.465 23.112 42.675 1.00 9.38 C ATOM 1878 C CYS B 264 35.130 22.527 43.126 1.00 10.34 C ATOM 1879 O CYS B 264 34.073 23.076 42.822 1.00 9.14 O ATOM 1880 CB CYS B 264 36.531 24.609 43.008 1.00 11.54 C ATOM 1881 SG CYS B 264 36.309 25.051 44.742 1.00 11.48 S ATOM 0 H CYS B 264 35.989 23.135 40.759 1.00 9.72 H new ATOM 0 HA CYS B 264 37.158 22.627 43.149 1.00 9.38 H new ATOM 0 HB2 CYS B 264 37.391 24.949 42.715 1.00 11.54 H new ATOM 0 HB3 CYS B 264 35.853 25.067 42.488 1.00 11.54 H new ATOM 0 HG CYS B 264 35.285 24.575 45.149 1.00 11.48 H new ATOM 1882 N ILE B 265 35.191 21.416 43.858 1.00 8.15 N ATOM 1883 CA ILE B 265 33.995 20.743 44.358 1.00 8.65 C ATOM 1884 C ILE B 265 33.562 21.359 45.685 1.00 8.98 C ATOM 1885 O ILE B 265 34.327 21.357 46.649 1.00 9.89 O ATOM 1886 CB ILE B 265 34.265 19.243 44.618 1.00 7.25 C ATOM 1887 CG1 ILE B 265 34.871 18.590 43.375 1.00 8.61 C ATOM 1888 CG2 ILE B 265 32.969 18.545 45.016 1.00 8.80 C ATOM 1889 CD1 ILE B 265 35.463 17.206 43.645 1.00 6.67 C ATOM 0 H ILE B 265 35.928 21.031 44.079 1.00 8.15 H new ATOM 0 HA ILE B 265 33.306 20.846 43.683 1.00 8.65 H new ATOM 0 HB ILE B 265 34.900 19.157 45.346 1.00 7.25 H new ATOM 0 HG12 ILE B 265 34.187 18.514 42.691 1.00 8.61 H new ATOM 0 HG13 ILE B 265 35.565 19.168 43.020 1.00 8.61 H new ATOM 0 HG21 ILE B 265 33.144 17.605 45.178 1.00 8.80 H new ATOM 0 HG22 ILE B 265 32.617 18.952 45.823 1.00 8.80 H new ATOM 0 HG23 ILE B 265 32.320 18.634 44.300 1.00 8.80 H new ATOM 0 HD11 ILE B 265 35.830 16.845 42.823 1.00 6.67 H new ATOM 0 HD12 ILE B 265 36.167 17.279 44.309 1.00 6.67 H new ATOM 0 HD13 ILE B 265 34.768 16.615 43.975 1.00 6.67 H new ATOM 1890 N VAL B 266 32.343 21.883 45.738 1.00 8.22 N ATOM 1891 CA VAL B 266 31.837 22.483 46.972 1.00 9.24 C ATOM 1892 C VAL B 266 30.611 21.694 47.419 1.00 7.96 C ATOM 1893 O VAL B 266 29.515 21.861 46.882 1.00 7.60 O ATOM 1894 CB VAL B 266 31.473 23.970 46.761 1.00 7.99 C ATOM 1895 CG1 VAL B 266 30.934 24.577 48.066 1.00 8.86 C ATOM 1896 CG2 VAL B 266 32.709 24.734 46.291 1.00 6.87 C ATOM 0 H VAL B 266 31.794 21.903 45.076 1.00 8.22 H new ATOM 0 HA VAL B 266 32.526 22.449 47.654 1.00 9.24 H new ATOM 0 HB VAL B 266 30.781 24.037 46.085 1.00 7.99 H new ATOM 0 HG11 VAL B 266 30.709 25.509 47.921 1.00 8.86 H new ATOM 0 HG12 VAL B 266 30.141 24.093 48.345 1.00 8.86 H new ATOM 0 HG13 VAL B 266 31.611 24.512 48.757 1.00 8.86 H new ATOM 0 HG21 VAL B 266 32.482 25.668 46.158 1.00 6.87 H new ATOM 0 HG22 VAL B 266 33.407 24.664 46.961 1.00 6.87 H new ATOM 0 HG23 VAL B 266 33.024 24.357 45.455 1.00 6.87 H new ATOM 1897 N SER B 267 30.803 20.829 48.410 1.00 8.18 N ATOM 1898 CA SER B 267 29.714 19.994 48.880 1.00 8.47 C ATOM 1899 C SER B 267 29.107 20.311 50.233 1.00 9.77 C ATOM 1900 O SER B 267 29.797 20.409 51.248 1.00 10.09 O ATOM 1901 CB SER B 267 30.140 18.525 48.883 1.00 7.83 C ATOM 1902 OG SER B 267 29.103 17.714 49.418 1.00 7.01 O ATOM 0 H SER B 267 31.551 20.713 48.818 1.00 8.18 H new ATOM 0 HA SER B 267 29.010 20.191 48.242 1.00 8.47 H new ATOM 0 HB2 SER B 267 30.349 18.240 47.980 1.00 7.83 H new ATOM 0 HB3 SER B 267 30.948 18.417 49.409 1.00 7.83 H new ATOM 0 HG SER B 267 29.392 16.935 49.543 1.00 7.01 H new ATOM 1903 N MET B 268 27.792 20.466 50.224 1.00 8.85 N ATOM 1904 CA MET B 268 27.036 20.692 51.434 1.00 8.81 C ATOM 1905 C MET B 268 26.001 19.558 51.488 1.00 10.03 C ATOM 1906 O MET B 268 24.937 19.671 52.093 1.00 8.96 O ATOM 1907 CB MET B 268 26.414 22.090 51.405 1.00 12.65 C ATOM 1908 CG MET B 268 27.511 23.163 51.496 1.00 19.80 C ATOM 1909 SD MET B 268 27.009 24.878 51.649 1.00 28.20 S ATOM 1910 CE MET B 268 27.572 25.538 50.076 1.00 25.00 C ATOM 0 H MET B 268 27.314 20.442 49.510 1.00 8.85 H new ATOM 0 HA MET B 268 27.580 20.674 52.237 1.00 8.81 H new ATOM 0 HB2 MET B 268 25.905 22.207 50.588 1.00 12.65 H new ATOM 0 HB3 MET B 268 25.793 22.190 52.143 1.00 12.65 H new ATOM 0 HG2 MET B 268 28.072 22.949 52.258 1.00 19.80 H new ATOM 0 HG3 MET B 268 28.067 23.086 50.705 1.00 19.80 H new ATOM 0 HE1 MET B 268 27.184 26.416 49.936 1.00 25.00 H new ATOM 0 HE2 MET B 268 28.539 25.610 50.083 1.00 25.00 H new ATOM 0 HE3 MET B 268 27.297 24.945 49.359 1.00 25.00 H new ATOM 1911 N LEU B 269 26.347 18.449 50.839 1.00 7.62 N ATOM 1912 CA LEU B 269 25.489 17.265 50.828 1.00 8.74 C ATOM 1913 C LEU B 269 25.591 16.570 52.184 1.00 9.30 C ATOM 1914 O LEU B 269 26.566 16.752 52.914 1.00 7.43 O ATOM 1915 CB LEU B 269 25.920 16.295 49.725 1.00 8.75 C ATOM 1916 CG LEU B 269 25.803 16.816 48.289 1.00 9.35 C ATOM 1917 CD1 LEU B 269 26.282 15.742 47.320 1.00 8.67 C ATOM 1918 CD2 LEU B 269 24.361 17.208 47.992 1.00 9.01 C ATOM 0 H LEU B 269 27.079 18.361 50.396 1.00 7.62 H new ATOM 0 HA LEU B 269 24.574 17.538 50.657 1.00 8.74 H new ATOM 0 HB2 LEU B 269 26.843 16.042 49.884 1.00 8.75 H new ATOM 0 HB3 LEU B 269 25.387 15.488 49.802 1.00 8.75 H new ATOM 0 HG LEU B 269 26.359 17.604 48.183 1.00 9.35 H new ATOM 0 HD11 LEU B 269 26.208 16.071 46.410 1.00 8.67 H new ATOM 0 HD12 LEU B 269 27.208 15.524 47.511 1.00 8.67 H new ATOM 0 HD13 LEU B 269 25.735 14.947 47.421 1.00 8.67 H new ATOM 0 HD21 LEU B 269 24.296 17.537 47.082 1.00 9.01 H new ATOM 0 HD22 LEU B 269 23.787 16.434 48.098 1.00 9.01 H new ATOM 0 HD23 LEU B 269 24.081 17.904 48.607 1.00 9.01 H new ATOM 1919 N THR B 270 24.583 15.775 52.522 1.00 8.01 N ATOM 1920 CA THR B 270 24.576 15.077 53.802 1.00 8.67 C ATOM 1921 C THR B 270 24.633 13.560 53.641 1.00 9.35 C ATOM 1922 O THR B 270 24.646 12.822 54.625 1.00 9.84 O ATOM 1923 CB THR B 270 23.327 15.446 54.617 1.00 7.55 C ATOM 1924 OG1 THR B 270 22.151 15.123 53.861 1.00 9.08 O ATOM 1925 CG2 THR B 270 23.327 16.935 54.936 1.00 7.63 C ATOM 0 H THR B 270 23.896 15.626 52.027 1.00 8.01 H new ATOM 0 HA THR B 270 25.375 15.362 54.272 1.00 8.67 H new ATOM 0 HB THR B 270 23.333 14.944 55.447 1.00 7.55 H new ATOM 0 HG1 THR B 270 21.953 15.768 53.361 1.00 9.08 H new ATOM 0 HG21 THR B 270 22.535 17.156 55.450 1.00 7.63 H new ATOM 0 HG22 THR B 270 24.118 17.156 55.452 1.00 7.63 H new ATOM 0 HG23 THR B 270 23.328 17.443 54.110 1.00 7.63 H new ATOM 1926 N LYS B 271 24.677 13.098 52.397 1.00 8.75 N ATOM 1927 CA LYS B 271 24.734 11.667 52.122 1.00 9.73 C ATOM 1928 C LYS B 271 25.526 11.394 50.855 1.00 9.68 C ATOM 1929 O LYS B 271 25.834 12.309 50.097 1.00 10.71 O ATOM 1930 CB LYS B 271 23.321 11.099 51.946 1.00 8.61 C ATOM 1931 CG LYS B 271 22.432 11.181 53.178 1.00 10.84 C ATOM 1932 CD LYS B 271 21.085 10.538 52.901 1.00 11.68 C ATOM 1933 CE LYS B 271 20.162 10.626 54.105 1.00 13.33 C ATOM 1934 NZ LYS B 271 18.831 10.041 53.772 1.00 12.01 N ATOM 0 H LYS B 271 24.675 13.597 51.697 1.00 8.75 H new ATOM 0 HA LYS B 271 25.170 11.240 52.876 1.00 9.73 H new ATOM 0 HB2 LYS B 271 22.886 11.572 51.219 1.00 8.61 H new ATOM 0 HB3 LYS B 271 23.393 10.170 51.678 1.00 8.61 H new ATOM 0 HG2 LYS B 271 22.862 10.736 53.925 1.00 10.84 H new ATOM 0 HG3 LYS B 271 22.308 12.108 53.434 1.00 10.84 H new ATOM 0 HD2 LYS B 271 20.668 10.974 52.141 1.00 11.68 H new ATOM 0 HD3 LYS B 271 21.214 9.608 52.659 1.00 11.68 H new ATOM 0 HE2 LYS B 271 20.553 10.153 54.856 1.00 13.33 H new ATOM 0 HE3 LYS B 271 20.058 11.552 54.375 1.00 13.33 H new ATOM 0 HZ1 LYS B 271 18.292 10.109 54.477 1.00 12.01 H new ATOM 0 HZ2 LYS B 271 18.477 10.481 53.084 1.00 12.01 H new ATOM 0 HZ3 LYS B 271 18.929 9.183 53.556 1.00 12.01 H new ATOM 1935 N GLU B 272 25.865 10.130 50.634 1.00 10.41 N ATOM 1936 CA GLU B 272 26.580 9.761 49.428 1.00 11.30 C ATOM 1937 C GLU B 272 25.552 9.773 48.310 1.00 10.31 C ATOM 1938 O GLU B 272 24.364 9.539 48.549 1.00 9.61 O ATOM 1939 CB GLU B 272 27.217 8.381 49.590 1.00 13.72 C ATOM 1940 CG GLU B 272 28.481 8.428 50.440 1.00 19.59 C ATOM 1941 CD GLU B 272 28.979 7.061 50.845 1.00 23.95 C ATOM 1942 OE1 GLU B 272 29.046 6.166 49.976 1.00 23.28 O ATOM 1943 OE2 GLU B 272 29.315 6.887 52.038 1.00 28.60 O ATOM 0 H GLU B 272 25.691 9.478 51.167 1.00 10.41 H new ATOM 0 HA GLU B 272 27.304 10.377 49.234 1.00 11.30 H new ATOM 0 HB2 GLU B 272 26.577 7.777 49.998 1.00 13.72 H new ATOM 0 HB3 GLU B 272 27.430 8.020 48.715 1.00 13.72 H new ATOM 0 HG2 GLU B 272 29.179 8.886 49.946 1.00 19.59 H new ATOM 0 HG3 GLU B 272 28.308 8.952 51.238 1.00 19.59 H new ATOM 1944 N LEU B 273 26.003 10.068 47.098 1.00 9.02 N ATOM 1945 CA LEU B 273 25.106 10.140 45.956 1.00 10.60 C ATOM 1946 C LEU B 273 25.546 9.236 44.810 1.00 9.67 C ATOM 1947 O LEU B 273 26.628 9.410 44.247 1.00 8.68 O ATOM 1948 CB LEU B 273 25.013 11.591 45.466 1.00 9.24 C ATOM 1949 CG LEU B 273 24.002 11.924 44.361 1.00 12.28 C ATOM 1950 CD1 LEU B 273 22.613 11.483 44.791 1.00 12.37 C ATOM 1951 CD2 LEU B 273 24.015 13.423 44.086 1.00 10.31 C ATOM 0 H LEU B 273 26.828 10.230 46.916 1.00 9.02 H new ATOM 0 HA LEU B 273 24.236 9.828 46.250 1.00 10.60 H new ATOM 0 HB2 LEU B 273 24.808 12.149 46.232 1.00 9.24 H new ATOM 0 HB3 LEU B 273 25.892 11.854 45.151 1.00 9.24 H new ATOM 0 HG LEU B 273 24.246 11.454 43.548 1.00 12.28 H new ATOM 0 HD11 LEU B 273 21.975 11.694 44.091 1.00 12.37 H new ATOM 0 HD12 LEU B 273 22.612 10.526 44.951 1.00 12.37 H new ATOM 0 HD13 LEU B 273 22.364 11.947 45.606 1.00 12.37 H new ATOM 0 HD21 LEU B 273 23.375 13.630 43.387 1.00 10.31 H new ATOM 0 HD22 LEU B 273 23.776 13.903 44.895 1.00 10.31 H new ATOM 0 HD23 LEU B 273 24.902 13.692 43.801 1.00 10.31 H new ATOM 1952 N TYR B 274 24.703 8.258 44.492 1.00 10.38 N ATOM 1953 CA TYR B 274 24.945 7.319 43.396 1.00 10.26 C ATOM 1954 C TYR B 274 23.791 7.523 42.417 1.00 10.69 C ATOM 1955 O TYR B 274 22.635 7.586 42.829 1.00 11.88 O ATOM 1956 CB TYR B 274 24.930 5.874 43.905 1.00 10.25 C ATOM 1957 CG TYR B 274 26.028 5.559 44.891 1.00 13.29 C ATOM 1958 CD1 TYR B 274 27.312 5.223 44.455 1.00 14.88 C ATOM 1959 CD2 TYR B 274 25.795 5.637 46.266 1.00 14.24 C ATOM 1960 CE1 TYR B 274 28.339 4.973 45.369 1.00 17.37 C ATOM 1961 CE2 TYR B 274 26.811 5.394 47.183 1.00 14.53 C ATOM 1962 CZ TYR B 274 28.077 5.066 46.732 1.00 16.00 C ATOM 1963 OH TYR B 274 29.084 4.860 47.645 1.00 16.24 O ATOM 0 H TYR B 274 23.965 8.118 44.911 1.00 10.38 H new ATOM 0 HA TYR B 274 25.811 7.475 42.987 1.00 10.26 H new ATOM 0 HB2 TYR B 274 24.073 5.697 44.322 1.00 10.25 H new ATOM 0 HB3 TYR B 274 25.006 5.273 43.147 1.00 10.25 H new ATOM 0 HD1 TYR B 274 27.486 5.165 43.543 1.00 14.88 H new ATOM 0 HD2 TYR B 274 24.945 5.855 46.573 1.00 14.24 H new ATOM 0 HE1 TYR B 274 29.190 4.747 45.069 1.00 17.37 H new ATOM 0 HE2 TYR B 274 26.640 5.452 48.095 1.00 14.53 H new ATOM 0 HH TYR B 274 28.943 5.328 48.328 1.00 16.24 H new ATOM 1964 N PHE B 275 24.100 7.627 41.130 1.00 10.37 N ATOM 1965 CA PHE B 275 23.067 7.840 40.123 1.00 11.65 C ATOM 1966 C PHE B 275 22.297 6.561 39.840 1.00 12.84 C ATOM 1967 O PHE B 275 21.199 6.593 39.283 1.00 15.98 O ATOM 1968 CB PHE B 275 23.696 8.376 38.838 1.00 9.09 C ATOM 1969 CG PHE B 275 24.286 9.747 38.988 1.00 8.66 C ATOM 1970 CD1 PHE B 275 23.465 10.850 39.197 1.00 9.86 C ATOM 1971 CD2 PHE B 275 25.664 9.933 38.949 1.00 10.76 C ATOM 1972 CE1 PHE B 275 24.006 12.123 39.368 1.00 10.42 C ATOM 1973 CE2 PHE B 275 26.218 11.200 39.117 1.00 10.79 C ATOM 1974 CZ PHE B 275 25.388 12.298 39.328 1.00 12.17 C ATOM 0 H PHE B 275 24.900 7.577 40.819 1.00 10.37 H new ATOM 0 HA PHE B 275 22.438 8.493 40.468 1.00 11.65 H new ATOM 0 HB2 PHE B 275 24.389 7.764 38.546 1.00 9.09 H new ATOM 0 HB3 PHE B 275 23.022 8.396 38.140 1.00 9.09 H new ATOM 0 HD1 PHE B 275 22.542 10.737 39.223 1.00 9.86 H new ATOM 0 HD2 PHE B 275 26.222 9.202 38.809 1.00 10.76 H new ATOM 0 HE1 PHE B 275 23.447 12.853 39.508 1.00 10.42 H new ATOM 0 HE2 PHE B 275 27.141 11.312 39.088 1.00 10.79 H new ATOM 0 HZ PHE B 275 25.755 13.145 39.442 1.00 12.17 H new ATOM 1975 N TYR B 276 22.879 5.438 40.240 1.00 14.07 N ATOM 1976 CA TYR B 276 22.263 4.133 40.046 1.00 15.87 C ATOM 1977 C TYR B 276 21.784 3.591 41.390 1.00 18.26 C ATOM 1978 O TYR B 276 22.129 4.128 42.445 1.00 17.48 O ATOM 1979 CB TYR B 276 23.285 3.168 39.441 1.00 15.18 C ATOM 1980 CG TYR B 276 24.448 2.859 40.367 1.00 17.76 C ATOM 1981 CD1 TYR B 276 24.342 1.873 41.351 1.00 17.47 C ATOM 1982 CD2 TYR B 276 25.646 3.567 40.273 1.00 16.54 C ATOM 1983 CE1 TYR B 276 25.400 1.600 42.216 1.00 19.74 C ATOM 1984 CE2 TYR B 276 26.708 3.302 41.133 1.00 19.57 C ATOM 1985 CZ TYR B 276 26.579 2.317 42.101 1.00 20.09 C ATOM 1986 OH TYR B 276 27.635 2.045 42.943 1.00 22.34 O ATOM 0 H TYR B 276 23.644 5.411 40.632 1.00 14.07 H new ATOM 0 HA TYR B 276 21.507 4.220 39.444 1.00 15.87 H new ATOM 0 HB2 TYR B 276 22.838 2.339 39.207 1.00 15.18 H new ATOM 0 HB3 TYR B 276 23.629 3.547 38.617 1.00 15.18 H new ATOM 0 HD1 TYR B 276 23.551 1.390 41.430 1.00 17.47 H new ATOM 0 HD2 TYR B 276 25.737 4.227 39.625 1.00 16.54 H new ATOM 0 HE1 TYR B 276 25.315 0.941 42.866 1.00 19.74 H new ATOM 0 HE2 TYR B 276 27.500 3.783 41.059 1.00 19.57 H new ATOM 0 HH TYR B 276 27.761 2.699 43.455 1.00 22.34 H new ATOM 1987 N HIS B 277 20.984 2.531 41.343 1.00 19.06 N ATOM 1988 CA HIS B 277 20.486 1.886 42.551 1.00 19.87 C ATOM 1989 C HIS B 277 20.336 0.387 42.298 1.00 21.62 C ATOM 1990 O HIS B 277 20.700 -0.057 41.188 1.00 22.18 O ATOM 1991 CB HIS B 277 19.139 2.480 42.986 1.00 20.18 C ATOM 1992 CG HIS B 277 18.024 2.248 42.014 1.00 20.59 C ATOM 1993 ND1 HIS B 277 17.926 2.921 40.815 1.00 21.59 N ATOM 1994 CD2 HIS B 277 16.950 1.423 42.071 1.00 21.36 C ATOM 1995 CE1 HIS B 277 16.840 2.522 40.177 1.00 21.97 C ATOM 1996 NE2 HIS B 277 16.231 1.614 40.917 1.00 21.01 N ATOM 1997 OXT HIS B 277 19.863 -0.326 43.208 1.00 22.36 O ATOM 0 H HIS B 277 20.716 2.167 40.612 1.00 19.06 H new ATOM 0 HA HIS B 277 21.123 2.039 43.266 1.00 19.87 H new ATOM 0 HB2 HIS B 277 18.891 2.100 43.844 1.00 20.18 H new ATOM 0 HB3 HIS B 277 19.246 3.435 43.119 1.00 20.18 H new ATOM 0 HD2 HIS B 277 16.740 0.837 42.762 1.00 21.36 H new ATOM 0 HE1 HIS B 277 16.553 2.829 39.347 1.00 21.97 H new ATOM 0 HE2 HIS B 277 15.502 1.208 40.710 1.00 21.01 H new TER 1998 HIS B 277 HETATM 1999 C1 PHQ C 1 41.449 28.146 21.762 1.00 33.11 C HETATM 2000 O1 PHQ C 1 40.335 27.666 21.569 1.00 31.53 O HETATM 2001 O2 PHQ C 1 42.366 28.498 20.806 1.00 35.13 O HETATM 2002 C2 PHQ C 1 41.990 28.289 19.413 1.00 38.26 C HETATM 2003 C3 PHQ C 1 43.078 28.709 18.400 1.00 38.85 C HETATM 2004 C4 PHQ C 1 42.783 28.540 16.991 1.00 40.31 C HETATM 2005 C5 PHQ C 1 43.755 28.914 15.984 1.00 39.60 C HETATM 2006 C6 PHQ C 1 45.035 29.462 16.380 1.00 40.16 C HETATM 2007 C7 PHQ C 1 45.343 29.636 17.784 1.00 39.57 C HETATM 2008 C8 PHQ C 1 44.371 29.263 18.793 1.00 40.03 C HETATM 0 H81 PHQ C 1 44.580 29.382 19.733 1.00 40.03 H new HETATM 0 H71 PHQ C 1 46.201 30.003 18.050 1.00 39.57 H new HETATM 0 H61 PHQ C 1 45.686 29.712 15.706 1.00 40.16 H new HETATM 0 H51 PHQ C 1 43.548 28.797 15.044 1.00 39.60 H new HETATM 0 H41 PHQ C 1 41.927 28.173 16.720 1.00 40.31 H new HETATM 0 H22 PHQ C 1 41.783 27.351 19.281 1.00 38.26 H new HETATM 0 H21 PHQ C 1 41.179 28.788 19.228 1.00 38.26 H new ATOM 2009 N ASP C 2 41.869 29.003 22.683 1.00 30.51 N ATOM 2010 CA ASP C 2 41.291 29.071 24.021 1.00 29.04 C ATOM 2011 C ASP C 2 40.739 30.443 24.384 1.00 29.36 C ATOM 2012 O ASP C 2 41.307 31.475 24.024 1.00 28.53 O ATOM 2013 CB ASP C 2 42.325 28.658 25.074 1.00 28.41 C ATOM 2014 CG ASP C 2 42.620 27.175 25.048 1.00 26.29 C ATOM 2015 OD1 ASP C 2 41.659 26.387 24.959 1.00 26.61 O ATOM 2016 OD2 ASP C 2 43.807 26.795 25.130 1.00 24.73 O ATOM 0 HA ASP C 2 40.543 28.453 24.012 1.00 29.04 H new ATOM 0 HB2 ASP C 2 43.147 29.151 24.926 1.00 28.41 H new ATOM 0 HB3 ASP C 2 42.001 28.905 25.955 1.00 28.41 H new ATOM 2017 N GLU C 3 39.619 30.438 25.099 1.00 27.56 N ATOM 2018 CA GLU C 3 38.977 31.663 25.555 1.00 27.65 C ATOM 2019 C GLU C 3 38.670 31.453 27.033 1.00 26.54 C ATOM 2020 O GLU C 3 38.574 30.314 27.490 1.00 23.95 O ATOM 2021 CB GLU C 3 37.675 31.919 24.785 1.00 28.17 C ATOM 2022 CG GLU C 3 37.832 31.933 23.268 1.00 30.18 C ATOM 2023 CD GLU C 3 36.574 32.391 22.548 1.00 31.64 C ATOM 2024 OE1 GLU C 3 35.474 31.912 22.891 1.00 32.37 O ATOM 2025 OE2 GLU C 3 36.685 33.228 21.629 1.00 33.82 O ATOM 0 H GLU C 3 39.209 29.720 25.334 1.00 27.56 H new ATOM 0 HA GLU C 3 39.552 32.430 25.409 1.00 27.65 H new ATOM 0 HB2 GLU C 3 37.030 31.236 25.026 1.00 28.17 H new ATOM 0 HB3 GLU C 3 37.306 32.770 25.069 1.00 28.17 H new ATOM 0 HG2 GLU C 3 38.567 32.518 23.029 1.00 30.18 H new ATOM 0 HG3 GLU C 3 38.068 31.043 22.963 1.00 30.18 H new ATOM 2026 N VAL C 4 38.526 32.543 27.778 1.00 26.30 N ATOM 2027 CA VAL C 4 38.232 32.444 29.202 1.00 25.64 C ATOM 2028 C VAL C 4 36.794 32.838 29.503 1.00 25.60 C ATOM 2029 O VAL C 4 36.071 33.305 28.622 1.00 26.24 O ATOM 2030 CB VAL C 4 39.177 33.334 30.034 1.00 25.69 C ATOM 2031 CG1 VAL C 4 40.602 32.831 29.908 1.00 26.39 C ATOM 2032 CG2 VAL C 4 39.077 34.778 29.572 1.00 26.28 C ATOM 0 H VAL C 4 38.594 33.347 27.480 1.00 26.30 H new ATOM 0 HA VAL C 4 38.366 31.515 29.448 1.00 25.64 H new ATOM 0 HB VAL C 4 38.914 33.292 30.967 1.00 25.69 H new ATOM 0 HG11 VAL C 4 41.192 33.394 30.433 1.00 26.39 H new ATOM 0 HG12 VAL C 4 40.653 31.918 30.233 1.00 26.39 H new ATOM 0 HG13 VAL C 4 40.874 32.858 28.977 1.00 26.39 H new ATOM 0 HG21 VAL C 4 39.675 35.329 30.101 1.00 26.28 H new ATOM 0 HG22 VAL C 4 39.327 34.837 28.637 1.00 26.28 H new ATOM 0 HG23 VAL C 4 38.166 35.091 29.683 1.00 26.28 H new HETATM 2033 N3 AA1 C 5 36.112 32.298 30.495 1.00 24.93 N HETATM 2034 C4 AA1 C 5 34.536 33.414 32.028 1.00 25.57 C HETATM 2035 O5 AA1 C 5 33.477 33.420 32.659 1.00 23.87 O HETATM 2036 N6 AA1 C 5 34.910 32.329 31.224 1.00 26.24 N HETATM 2037 C7 AA1 C 5 34.078 31.126 31.088 1.00 25.20 C HETATM 2038 C8 AA1 C 5 33.516 30.967 29.691 1.00 26.07 C HETATM 2039 O9 AA1 C 5 33.270 29.677 29.375 1.00 26.63 O HETATM 2040 O10 AA1 C 5 33.276 31.858 28.889 1.00 24.92 O HETATM 2041 C11 AA1 C 5 35.516 34.591 32.097 1.00 27.29 C HETATM 2042 C12 AA1 C 5 34.862 35.920 32.497 1.00 34.54 C HETATM 2043 C15 AA1 C 5 34.424 36.724 31.286 1.00 37.46 C HETATM 2044 O16 AA1 C 5 34.921 36.645 30.164 1.00 39.14 O HETATM 2045 O17 AA1 C 5 33.383 37.545 31.635 1.00 39.47 O HETATM 2046 C18 AA1 C 5 33.643 38.949 31.495 1.00 40.12 C HETATM 2047 C19 AA1 C 5 32.450 39.582 30.807 1.00 40.66 C HETATM 0 H7C2 AA1 C 5 34.606 30.344 31.312 1.00 25.20 H new HETATM 0 H7C1 AA1 C 5 33.348 31.167 31.725 1.00 25.20 H new HETATM 0 H193 AA1 C 5 32.327 39.176 29.935 1.00 40.66 H new HETATM 0 H192 AA1 C 5 31.654 39.441 31.344 1.00 40.66 H new HETATM 0 H191 AA1 C 5 32.604 40.534 30.702 1.00 40.66 H new HETATM 0 H182 AA1 C 5 33.788 39.355 32.364 1.00 40.12 H new HETATM 0 H181 AA1 C 5 34.450 39.094 30.976 1.00 40.12 H new HETATM 0 H122 AA1 C 5 34.094 35.744 33.063 1.00 34.54 H new HETATM 0 H121 AA1 C 5 35.488 36.443 33.022 1.00 34.54 H new HETATM 0 H111 AA1 C 5 35.942 34.697 31.232 1.00 27.29 H new TER 2048 AA1 C 5 HETATM 2049 O HOH A2001 16.658 -3.105 62.484 1.00 32.11 O HETATM 2050 O HOH A2002 12.015 -7.355 61.769 1.00 55.56 O HETATM 2051 O HOH A2003 15.292 -1.713 59.974 1.00 36.66 O HETATM 2052 O HOH A2004 20.441 1.407 62.064 1.00 45.16 O HETATM 2053 O HOH A2005 18.437 -0.344 61.752 1.00 42.83 O HETATM 2054 O HOH A2006 24.393 5.474 59.124 1.00 33.15 O HETATM 2055 O HOH A2007 16.249 3.823 57.899 1.00 49.50 O HETATM 2056 O HOH A2008 27.124 8.970 54.122 1.00 15.48 O HETATM 2057 O HOH A2009 21.075 4.270 52.092 1.00 35.32 O HETATM 2058 O HOH A2010 18.933 7.396 52.744 1.00 28.22 O HETATM 2059 O HOH A2011 19.769 4.992 48.721 1.00 28.37 O HETATM 2060 O HOH A2012 22.481 7.320 46.218 1.00 13.13 O HETATM 2061 O HOH A2013 16.849 11.774 46.974 1.00 13.17 O HETATM 2062 O HOH A2014 10.449 3.583 45.723 1.00 45.40 O HETATM 2063 O HOH A2015 17.549 9.993 51.022 1.00 12.94 O HETATM 2064 O HOH A2016 12.575 -5.507 63.918 1.00 49.51 O HETATM 2065 O HOH A2017 18.899 4.703 45.901 1.00 16.70 O HETATM 2066 O HOH A2018 15.083 7.878 40.320 1.00 11.36 O HETATM 2067 O HOH A2019 17.591 2.592 46.601 1.00 34.35 O HETATM 2068 O HOH A2020 13.911 0.305 43.800 1.00 54.58 O HETATM 2069 O HOH A2021 9.625 12.489 49.489 1.00 37.30 O HETATM 2070 O HOH A2022 13.857 11.834 49.995 1.00 28.14 O HETATM 2071 O HOH A2023 13.249 9.351 51.720 1.00 54.58 O HETATM 2072 O HOH A2024 10.076 9.092 50.309 1.00 40.41 O HETATM 2073 O HOH A2025 9.044 6.556 45.687 1.00 40.91 O HETATM 2074 O HOH A2026 11.969 14.307 36.062 1.00 20.40 O HETATM 2075 O HOH A2027 6.917 14.475 38.450 1.00 29.91 O HETATM 2076 O HOH A2028 6.786 13.263 34.296 1.00 50.14 O HETATM 2077 O HOH A2029 7.213 10.990 49.224 1.00 55.00 O HETATM 2078 O HOH A2030 10.402 13.125 52.108 1.00 59.73 O HETATM 2079 O HOH A2031 5.047 16.611 37.025 1.00 49.72 O HETATM 2080 O HOH A2032 18.088 43.536 22.411 1.00 47.48 O HETATM 2081 O HOH A2033 23.647 43.670 16.855 1.00 53.28 O HETATM 2082 O HOH A2034 19.254 36.779 22.312 1.00 44.96 O HETATM 2083 O HOH A2035 22.126 38.800 21.017 1.00 42.50 O HETATM 2084 O HOH A2036 27.374 20.480 18.813 1.00 52.12 O HETATM 2085 O HOH A2037 20.831 41.114 20.993 1.00 62.07 O HETATM 2086 O HOH A2038 19.922 45.345 21.087 1.00 53.79 O HETATM 2087 O HOH A2039 23.101 41.215 18.107 1.00 42.70 O HETATM 2088 O HOH A2040 22.517 47.691 21.420 1.00 43.08 O HETATM 2089 O HOH A2041 31.873 41.155 20.580 1.00 43.31 O HETATM 2090 O HOH A2042 28.034 22.991 17.920 1.00 36.69 O HETATM 2091 O HOH A2043 25.488 27.460 15.466 1.00 48.63 O HETATM 2092 O HOH A2044 28.927 18.413 19.513 1.00 37.41 O HETATM 2093 O HOH A2045 5.499 7.282 43.736 1.00 28.50 O HETATM 2094 O HOH A2046 21.651 37.426 23.207 1.00 23.27 O HETATM 2095 O HOH A2047 27.917 32.803 18.002 1.00 42.84 O HETATM 2096 O HOH A2048 22.315 18.425 20.404 1.00 30.64 O HETATM 2097 O HOH A2049 32.734 32.425 48.825 1.00 50.02 O HETATM 2098 O HOH A2050 28.117 37.780 22.239 1.00 16.02 O HETATM 2099 O HOH A2051 27.001 41.211 20.804 1.00 52.52 O HETATM 2100 O HOH A2052 16.666 39.452 24.774 1.00 41.66 O HETATM 2101 O HOH A2053 21.815 13.335 19.674 1.00 32.84 O HETATM 2102 O HOH A2054 24.769 11.852 20.292 1.00 39.16 O HETATM 2103 O HOH A2055 12.552 32.105 61.050 1.00 33.10 O HETATM 2104 O HOH A2056 29.720 46.429 22.759 1.00 36.12 O HETATM 2105 O HOH A2057 22.718 43.033 20.885 1.00 30.85 O HETATM 2106 O HOH A2058 11.544 10.329 34.462 1.00 20.39 O HETATM 2107 O HOH A2059 25.349 49.828 26.575 1.00 32.42 O HETATM 2108 O HOH A2060 22.233 45.345 22.457 1.00 30.53 O HETATM 2109 O HOH A2061 28.412 48.941 26.056 1.00 35.94 O HETATM 2110 O HOH A2062 31.844 43.248 29.533 1.00 37.22 O HETATM 2111 O HOH A2063 28.267 42.008 22.951 1.00 44.86 O HETATM 2112 O HOH A2064 11.558 38.511 30.290 1.00 43.52 O HETATM 2113 O HOH A2065 36.800 35.813 25.061 1.00 41.47 O HETATM 2114 O HOH A2066 33.354 38.817 27.328 1.00 23.89 O HETATM 2115 O HOH A2067 14.173 39.478 37.823 1.00 27.44 O HETATM 2116 O HOH A2068 10.764 39.292 34.177 1.00 51.91 O HETATM 2117 O HOH A2069 12.972 32.309 28.913 1.00 60.02 O HETATM 2118 O HOH A2070 29.193 35.435 17.504 1.00 39.85 O HETATM 2119 O HOH A2071 31.960 38.139 20.253 1.00 20.64 O HETATM 2120 O HOH A2072 5.817 26.449 35.499 1.00 36.21 O HETATM 2121 O HOH A2073 5.046 28.897 38.623 1.00 45.83 O HETATM 2122 O HOH A2074 30.542 31.525 18.830 1.00 40.33 O HETATM 2123 O HOH A2075 36.327 32.056 18.193 1.00 48.33 O HETATM 2124 O HOH A2076 4.464 22.343 44.393 1.00 52.83 O HETATM 2125 O HOH A2077 1.389 25.676 37.357 1.00 48.68 O HETATM 2126 O HOH A2078 29.196 26.805 20.206 1.00 24.39 O HETATM 2127 O HOH A2079 30.985 28.255 17.863 1.00 44.14 O HETATM 2128 O HOH A2080 4.025 14.632 41.556 1.00 47.64 O HETATM 2129 O HOH A2081 4.129 12.533 46.827 1.00 41.24 O HETATM 2130 O HOH A2082 7.367 8.852 44.739 1.00 43.75 O HETATM 2131 O HOH A2083 26.553 25.208 17.175 1.00 25.55 O HETATM 2132 O HOH A2084 23.180 28.056 21.123 1.00 24.40 O HETATM 2133 O HOH A2085 28.858 17.710 22.095 1.00 24.28 O HETATM 2134 O HOH A2086 30.053 26.194 27.945 1.00 11.39 O HETATM 2135 O HOH A2087 32.073 19.353 25.880 1.00 14.15 O HETATM 2136 O HOH A2088 22.772 15.967 22.702 1.00 22.27 O HETATM 2137 O HOH A2089 30.803 31.164 47.511 1.00 34.36 O HETATM 2138 O HOH A2090 30.133 35.238 46.448 1.00 27.44 O HETATM 2139 O HOH A2091 26.504 36.585 46.549 1.00 42.42 O HETATM 2140 O HOH A2092 27.894 13.155 24.404 1.00 31.53 O HETATM 2141 O HOH A2093 16.414 18.682 26.003 1.00 28.15 O HETATM 2142 O HOH A2094 26.603 39.211 46.737 1.00 43.67 O HETATM 2143 O HOH A2095 28.999 37.499 45.465 1.00 45.36 O HETATM 2144 O HOH A2096 18.708 39.284 39.512 1.00 34.67 O HETATM 2145 O HOH A2097 26.208 8.409 24.004 1.00 34.77 O HETATM 2146 O HOH A2098 22.160 11.048 21.036 1.00 45.89 O HETATM 2147 O HOH A2099 12.408 42.053 41.168 1.00 41.29 O HETATM 2148 O HOH A2100 26.082 9.542 30.966 1.00 19.84 O HETATM 2149 O HOH A2101 18.520 35.560 52.111 1.00 48.96 O HETATM 2150 O HOH A2102 19.667 37.658 46.604 1.00 47.58 O HETATM 2151 O HOH A2103 11.574 31.429 46.678 1.00 33.03 O HETATM 2152 O HOH A2104 13.487 32.536 57.876 1.00 56.17 O HETATM 2153 O HOH A2105 20.134 5.552 24.966 1.00 17.61 O HETATM 2154 O HOH A2106 9.620 30.584 52.960 1.00 51.80 O HETATM 2155 O HOH A2107 5.166 23.371 48.909 1.00 37.30 O HETATM 2156 O HOH A2108 5.302 20.658 47.813 1.00 34.51 O HETATM 2157 O HOH A2109 26.566 8.965 28.269 1.00 39.82 O HETATM 2158 O HOH A2110 23.176 6.014 24.547 1.00 36.57 O HETATM 2159 O HOH A2111 21.899 4.418 30.063 1.00 37.70 O HETATM 2160 O HOH A2112 20.439 6.740 36.482 1.00 13.30 O HETATM 2161 O HOH A2113 18.811 6.839 28.224 1.00 20.63 O HETATM 2162 O HOH A2114 13.623 12.187 35.257 1.00 15.19 O HETATM 2163 O HOH A2115 14.282 8.992 35.465 1.00 18.01 O HETATM 2164 O HOH A2116 19.543 2.126 30.211 1.00 46.46 O HETATM 2165 O HOH A2117 14.823 3.809 29.560 1.00 44.75 O HETATM 2166 O HOH A2118 7.700 17.708 32.558 1.00 40.23 O HETATM 2167 O HOH A2119 8.327 15.487 35.014 1.00 28.85 O HETATM 2168 O HOH A2120 35.654 28.334 48.708 1.00 14.75 O HETATM 2169 O HOH A2121 55.960 29.756 36.731 1.00 40.53 O HETATM 2170 O HOH A2122 58.230 23.896 29.448 1.00 36.93 O HETATM 2171 O HOH A2123 60.356 23.794 37.748 1.00 36.30 O HETATM 2172 O HOH A2124 21.178 21.189 26.005 1.00 14.19 O HETATM 2173 O HOH A2125 16.834 33.806 23.759 1.00 43.96 O HETATM 2174 O HOH A2126 20.384 35.009 20.545 1.00 42.94 O HETATM 2175 O HOH A2127 22.911 29.788 23.126 1.00 32.46 O HETATM 2176 O HOH A2128 13.971 39.314 29.317 1.00 19.72 O HETATM 2177 O HOH A2129 18.581 44.926 34.154 1.00 38.03 O HETATM 2178 O HOH A2130 21.354 45.799 38.692 1.00 31.84 O HETATM 2179 O HOH A2131 22.564 41.141 39.807 1.00 37.89 O HETATM 2180 O HOH A2132 14.863 41.704 29.710 1.00 41.87 O HETATM 2181 O HOH A2133 16.621 40.466 36.644 1.00 54.77 O HETATM 2182 O HOH A2134 12.481 37.740 36.435 1.00 31.35 O HETATM 2183 O HOH A2135 10.752 34.223 28.168 1.00 51.90 O HETATM 2184 O HOH A2136 10.967 36.924 27.891 1.00 56.96 O HETATM 2185 O HOH A2137 13.723 39.132 26.540 1.00 37.09 O HETATM 2186 O HOH A2138 12.323 32.358 31.570 1.00 26.34 O HETATM 2187 O HOH A2139 16.365 36.165 25.172 1.00 34.98 O HETATM 2188 O HOH A2140 11.382 36.938 32.496 1.00 35.41 O HETATM 2189 O HOH A2141 5.365 28.627 33.853 1.00 50.15 O HETATM 2190 O HOH A2142 8.064 33.372 37.027 1.00 54.75 O HETATM 2191 O HOH A2143 6.030 26.393 38.191 1.00 17.74 O HETATM 2192 O HOH A2144 6.812 30.894 39.192 1.00 37.42 O HETATM 2193 O HOH A2145 6.963 32.168 33.450 1.00 33.69 O HETATM 2194 O HOH A2146 9.838 29.124 32.886 1.00 20.55 O HETATM 2195 O HOH A2147 7.432 23.652 44.623 1.00 25.80 O HETATM 2196 O HOH A2148 8.788 33.072 44.502 1.00 49.90 O HETATM 2197 O HOH A2149 4.017 24.636 38.843 1.00 41.43 O HETATM 2198 O HOH A2150 3.291 22.687 41.788 1.00 42.53 O HETATM 2199 O HOH A2151 8.241 25.330 35.398 1.00 19.48 O HETATM 2200 O HOH A2152 1.620 17.810 41.408 1.00 50.12 O HETATM 2201 O HOH A2153 7.198 14.917 40.872 1.00 18.96 O HETATM 2202 O HOH A2154 4.672 20.544 38.796 1.00 27.60 O HETATM 2203 O HOH A2155 7.018 11.003 46.182 1.00 22.87 O HETATM 2204 O HOH A2156 7.289 16.062 48.458 1.00 30.75 O HETATM 2205 O HOH A2157 3.968 12.976 38.868 1.00 56.08 O HETATM 2206 O HOH A2158 14.104 17.734 39.768 1.00 10.45 O HETATM 2207 O HOH A2159 35.507 37.254 35.969 1.00 27.20 O HETATM 2208 O HOH A2160 31.166 44.125 38.569 1.00 37.01 O HETATM 2209 O HOH A2161 32.926 40.827 40.344 1.00 44.31 O HETATM 2210 O HOH A2162 30.924 32.099 38.694 1.00 19.41 O HETATM 2211 O HOH A2163 37.129 34.663 44.964 1.00 29.19 O HETATM 2212 O HOH A2164 35.359 38.039 40.619 1.00 16.41 O HETATM 2213 O HOH A2165 32.643 39.006 42.253 1.00 50.98 O HETATM 2214 O HOH A2166 31.103 32.613 45.208 1.00 25.75 O HETATM 2215 O HOH A2167 31.176 31.956 41.405 1.00 15.32 O HETATM 2216 O HOH A2168 26.067 34.836 44.649 1.00 13.32 O HETATM 2217 O HOH A2169 19.079 37.353 25.127 1.00 21.25 O HETATM 2218 O HOH A2170 23.686 38.068 46.887 1.00 39.75 O HETATM 2219 O HOH A2171 20.523 40.067 43.523 1.00 38.16 O HETATM 2220 O HOH A2172 26.933 39.335 44.035 1.00 52.85 O HETATM 2221 O HOH A2173 24.905 40.080 40.220 1.00 23.23 O HETATM 2222 O HOH A2174 21.024 38.966 40.921 1.00 27.37 O HETATM 2223 O HOH A2175 25.902 29.924 51.180 1.00 27.25 O HETATM 2224 O HOH A2176 15.609 33.625 45.097 1.00 20.18 O HETATM 2225 O HOH A2177 14.066 36.239 44.333 1.00 32.83 O HETATM 2226 O HOH A2178 13.489 39.159 41.060 1.00 42.42 O HETATM 2227 O HOH A2179 24.866 30.349 45.559 1.00 18.50 O HETATM 2228 O HOH A2180 20.719 29.257 48.809 1.00 25.55 O HETATM 2229 O HOH A2181 19.681 31.975 51.791 1.00 37.31 O HETATM 2230 O HOH A2182 20.675 35.269 50.116 1.00 35.27 O HETATM 2231 O HOH A2183 17.106 35.353 47.139 1.00 21.54 O HETATM 2232 O HOH A2184 10.894 28.535 45.468 1.00 16.47 O HETATM 2233 O HOH A2185 14.867 21.910 48.778 1.00 8.07 O HETATM 2234 O HOH A2186 15.569 33.235 56.396 1.00 34.69 O HETATM 2235 O HOH A2187 17.046 34.154 54.496 1.00 39.03 O HETATM 2236 O HOH A2188 11.382 29.812 56.627 1.00 43.75 O HETATM 2237 O HOH A2189 8.397 26.628 54.435 1.00 32.44 O HETATM 2238 O HOH A2190 12.152 31.343 53.311 1.00 26.13 O HETATM 2239 O HOH A2191 7.792 26.743 50.503 1.00 28.15 O HETATM 2240 O HOH A2192 7.730 25.740 46.113 1.00 29.82 O HETATM 2241 O HOH A2193 8.295 28.838 46.235 1.00 53.99 O HETATM 2242 O HOH A2194 14.076 32.555 46.908 1.00 28.12 O HETATM 2243 O HOH A2195 14.825 36.647 49.154 1.00 49.93 O HETATM 2244 O HOH A2196 8.411 28.831 48.855 1.00 34.75 O HETATM 2245 O HOH A2197 16.259 35.445 50.859 1.00 43.09 O HETATM 2246 O HOH A2198 13.310 33.426 54.551 1.00 53.50 O HETATM 2247 O HOH A2199 7.198 24.205 54.700 1.00 38.58 O HETATM 2248 O HOH A2200 7.691 24.681 48.592 1.00 16.11 O HETATM 2249 O HOH A2201 7.532 17.878 56.900 1.00 43.17 O HETATM 2250 O HOH A2202 10.932 16.649 49.967 1.00 13.25 O HETATM 2251 O HOH A2203 7.717 21.888 46.479 1.00 16.01 O HETATM 2252 O HOH A2204 6.314 18.956 49.676 1.00 51.45 O HETATM 2253 O HOH A2205 27.033 31.922 45.400 1.00 26.71 O HETATM 2254 O HOH A2206 12.900 14.015 51.554 1.00 41.38 O HETATM 2255 O HOH A2207 18.106 13.025 52.895 1.00 17.02 O HETATM 2256 O HOH A2208 16.530 12.147 49.537 1.00 12.10 O HETATM 2257 O HOH A2209 9.595 14.808 48.321 1.00 16.50 O HETATM 2258 O HOH A2210 36.408 24.727 32.012 1.00 9.01 O HETATM 2259 O HOH A2211 33.116 27.898 37.607 1.00 12.22 O HETATM 2260 O HOH A2212 37.494 37.440 42.274 1.00 27.36 O HETATM 2261 O HOH A2213 34.208 27.835 46.376 1.00 22.45 O HETATM 2262 O HOH A2214 43.880 39.458 38.502 1.00 31.18 O HETATM 2263 O HOH A2215 39.638 41.007 39.049 1.00 26.36 O HETATM 2264 O HOH A2216 40.012 37.585 40.865 1.00 21.39 O HETATM 2265 O HOH A2217 45.419 37.644 35.640 1.00 42.69 O HETATM 2266 O HOH A2218 40.968 36.929 43.238 1.00 41.71 O HETATM 2267 O HOH A2219 44.208 35.943 45.472 1.00 47.37 O HETATM 2268 O HOH A2220 42.004 32.927 44.760 1.00 27.27 O HETATM 2269 O HOH A2221 46.895 35.626 38.014 1.00 22.41 O HETATM 2270 O HOH A2222 43.923 27.522 39.931 1.00 12.26 O HETATM 2271 O HOH A2223 49.864 30.754 39.372 1.00 32.29 O HETATM 2272 O HOH A2224 54.978 27.088 35.530 1.00 34.33 O HETATM 2273 O HOH A2225 59.882 20.996 38.023 1.00 35.18 O HETATM 2274 O HOH A2226 57.051 24.784 36.346 1.00 39.86 O HETATM 2275 O HOH A2227 58.162 25.686 32.199 1.00 49.32 O HETATM 2276 O HOH A2228 56.410 14.048 34.545 1.00 56.06 O HETATM 2277 O HOH A2229 39.324 31.820 48.305 1.00 40.90 O HETATM 2278 O HOH A2230 47.751 34.764 40.559 1.00 45.75 O HETATM 2279 O HOH A2231 30.151 24.771 18.825 1.00 44.01 O HETATM 2280 O HOH A2232 22.653 2.274 31.477 1.00 59.09 O HETATM 2281 O HOH A2233 48.062 36.227 35.787 1.00 48.00 O HETATM 2282 O HOH A2234 15.896 12.939 54.383 1.00 34.61 O HETATM 2283 O HOH A2235 15.522 6.024 52.017 1.00 31.06 O HETATM 2284 O HOH A2236 39.378 33.845 46.270 1.00 50.84 O HETATM 2285 O HOH A2237 15.725 8.592 52.735 1.00 45.24 O HETATM 2286 O HOH A2238 16.075 15.437 55.632 1.00 28.59 O HETATM 2287 O HOH A2239 13.501 15.967 54.424 1.00 31.87 O HETATM 2288 O HOH B2001 32.378 13.878 23.059 1.00 50.08 O HETATM 2289 O HOH B2002 37.589 14.914 27.322 1.00 52.08 O HETATM 2290 O HOH B2003 32.872 8.152 24.479 1.00 40.38 O HETATM 2291 O HOH B2004 36.141 11.955 26.223 1.00 47.06 O HETATM 2292 O HOH B2005 56.124 36.692 29.456 1.00 49.68 O HETATM 2293 O HOH B2006 56.466 32.534 32.364 1.00 53.34 O HETATM 2294 O HOH B2007 24.546 1.462 47.541 1.00 45.14 O HETATM 2295 O HOH B2008 18.917 14.852 66.892 1.00 40.39 O HETATM 2296 O HOH B2011 27.310 29.333 47.970 1.00 33.47 O HETATM 2297 O HOH B2015 31.662 16.541 22.418 1.00 23.48 O HETATM 2298 O HOH B2016 34.677 15.635 24.977 1.00 35.54 O HETATM 2299 O HOH B2017 40.400 15.543 25.715 1.00 55.09 O HETATM 2300 O HOH B2018 32.174 12.287 26.732 1.00 27.12 O HETATM 2301 O HOH B2019 32.945 5.977 28.386 1.00 31.87 O HETATM 2302 O HOH B2020 34.091 10.181 26.695 1.00 31.66 O HETATM 2303 O HOH B2021 25.733 4.779 31.159 1.00 57.78 O HETATM 2304 O HOH B2023 48.623 13.272 31.472 1.00 57.14 O HETATM 2305 O HOH B2024 53.734 37.147 30.344 1.00 43.65 O HETATM 2306 O HOH B2025 52.764 36.983 32.693 1.00 42.61 O HETATM 2307 O HOH B2027 55.369 29.439 31.003 1.00 50.28 O HETATM 2308 O HOH B2028 19.264 13.041 57.270 1.00 30.69 O HETATM 2309 O HOH B2031 29.930 3.498 53.495 1.00 48.02 O HETATM 2310 O HOH B2032 25.052 1.729 51.999 1.00 32.65 O HETATM 2311 O HOH B2033 22.611 2.320 45.952 1.00 36.70 O HETATM 2312 O HOH B2034 24.433 11.099 75.963 1.00 49.70 O HETATM 2313 O HOH B2035 27.674 10.565 78.735 1.00 44.27 O HETATM 2314 O HOH B2036 26.821 17.337 79.970 1.00 49.61 O HETATM 2315 O HOH B2037 26.604 20.962 79.271 1.00 37.32 O HETATM 2316 O HOH B2038 23.987 15.622 81.457 1.00 24.77 O HETATM 2317 O HOH B2039 18.809 20.520 73.925 1.00 14.39 O HETATM 2318 O HOH B2040 24.064 20.416 73.544 1.00 36.31 O HETATM 2319 O HOH B2041 27.233 21.149 72.038 1.00 20.83 O HETATM 2320 O HOH B2042 24.365 16.261 74.938 1.00 36.44 O HETATM 2321 O HOH B2043 20.706 17.373 75.301 1.00 17.14 O HETATM 2322 O HOH B2044 16.563 14.925 68.159 1.00 42.61 O HETATM 2323 O HOH B2045 20.916 15.143 68.739 1.00 43.34 O HETATM 2324 O HOH B2046 17.912 11.340 72.938 1.00 36.11 O HETATM 2325 O HOH B2047 18.326 18.737 67.059 1.00 37.19 O HETATM 2326 O HOH B2048 13.737 20.704 71.399 1.00 36.79 O HETATM 2327 O HOH B2049 10.736 15.146 65.622 1.00 47.07 O HETATM 2328 O HOH B2050 11.719 21.075 69.594 1.00 32.42 O HETATM 2329 O HOH B2051 13.788 22.155 66.497 1.00 25.74 O HETATM 2330 O HOH B2052 14.586 12.113 68.367 1.00 42.05 O HETATM 2331 O HOH B2053 14.337 28.318 63.370 1.00 41.20 O HETATM 2332 O HOH B2054 17.954 22.190 52.821 1.00 8.09 O HETATM 2333 O HOH B2055 24.218 25.484 50.298 1.00 16.09 O HETATM 2334 O HOH B2056 18.503 16.196 54.456 1.00 16.90 O HETATM 2335 O HOH B2057 17.420 19.694 51.624 1.00 12.05 O HETATM 2336 O HOH B2058 29.374 31.243 43.695 1.00 25.90 O HETATM 2337 O HOH B2059 33.578 20.527 40.515 1.00 8.23 O HETATM 2338 O HOH B2060 28.839 27.723 46.620 1.00 20.30 O HETATM 2339 O HOH B2061 41.741 26.962 38.377 1.00 14.30 O HETATM 2340 O HOH B2063 47.996 31.934 40.715 1.00 34.15 O HETATM 2341 O HOH B2064 42.278 29.360 35.991 1.00 27.66 O HETATM 2342 O HOH B2065 44.310 38.910 33.264 1.00 24.89 O HETATM 2343 O HOH B2066 40.610 40.581 32.145 1.00 28.14 O HETATM 2344 O HOH B2067 34.295 34.059 24.901 1.00 24.07 O HETATM 2345 O HOH B2068 40.342 24.909 19.112 1.00 39.47 O HETATM 2346 O HOH B2069 42.330 23.090 19.885 1.00 21.13 O HETATM 2347 O HOH B2070 40.741 19.583 14.631 1.00 53.26 O HETATM 2348 O HOH B2071 40.284 22.749 13.105 1.00 28.67 O HETATM 2349 O HOH B2072 32.841 21.233 16.804 1.00 47.43 O HETATM 2350 O HOH B2073 32.568 23.816 17.801 1.00 33.88 O HETATM 2351 O HOH B2074 41.096 20.674 19.582 1.00 42.15 O HETATM 2352 O HOH B2075 33.359 17.662 24.042 1.00 33.33 O HETATM 2353 O HOH B2076 39.907 17.964 19.233 1.00 35.66 O HETATM 2354 O HOH B2077 33.412 14.606 26.947 1.00 12.63 O HETATM 2355 O HOH B2078 39.939 17.971 24.192 1.00 25.94 O HETATM 2356 O HOH B2079 34.288 8.748 28.853 1.00 28.29 O HETATM 2357 O HOH B2080 26.639 7.109 32.251 1.00 20.83 O HETATM 2358 O HOH B2081 36.457 1.648 33.233 1.00 52.12 O HETATM 2359 O HOH B2082 39.223 7.789 33.443 1.00 28.79 O HETATM 2360 O HOH B2083 36.679 8.153 29.594 1.00 23.74 O HETATM 2361 O HOH B2084 33.950 2.301 32.552 1.00 54.47 O HETATM 2362 O HOH B2085 27.013 7.160 40.478 1.00 15.72 O HETATM 2363 O HOH B2086 28.173 5.086 33.565 1.00 17.82 O HETATM 2364 O HOH B2087 29.026 -1.219 36.778 1.00 39.78 O HETATM 2365 O HOH B2088 24.853 1.081 33.338 1.00 49.00 O HETATM 2366 O HOH B2089 28.080 -0.439 40.168 1.00 34.09 O HETATM 2367 O HOH B2090 31.923 1.437 30.492 1.00 48.02 O HETATM 2368 O HOH B2091 30.302 3.152 31.655 1.00 44.01 O HETATM 2369 O HOH B2092 28.333 12.914 48.545 1.00 9.34 O HETATM 2370 O HOH B2093 32.814 5.237 44.777 1.00 20.62 O HETATM 2371 O HOH B2094 37.038 11.603 46.173 1.00 25.37 O HETATM 2372 O HOH B2095 40.825 11.320 35.935 1.00 27.17 O HETATM 2373 O HOH B2096 40.250 3.702 37.458 1.00 34.50 O HETATM 2374 O HOH B2097 40.061 8.535 35.765 1.00 22.09 O HETATM 2375 O HOH B2098 35.268 18.456 39.682 1.00 7.13 O HETATM 2376 O HOH B2099 42.985 8.419 35.805 1.00 47.16 O HETATM 2377 O HOH B2100 46.974 10.010 38.294 1.00 41.69 O HETATM 2378 O HOH B2101 40.964 10.461 31.256 1.00 54.18 O HETATM 2379 O HOH B2102 38.540 10.406 29.289 1.00 32.02 O HETATM 2380 O HOH B2103 42.507 15.783 27.361 1.00 50.23 O HETATM 2381 O HOH B2104 45.728 11.571 31.585 1.00 44.02 O HETATM 2382 O HOH B2105 42.872 11.687 34.241 1.00 34.98 O HETATM 2383 O HOH B2106 45.000 22.391 33.784 1.00 9.01 O HETATM 2384 O HOH B2107 50.264 20.653 31.307 1.00 21.92 O HETATM 2385 O HOH B2108 54.259 25.291 28.459 1.00 40.78 O HETATM 2386 O HOH B2109 44.101 31.432 22.640 1.00 31.73 O HETATM 2387 O HOH B2110 43.887 33.596 24.325 1.00 29.53 O HETATM 2388 O HOH B2111 45.630 33.146 20.897 1.00 27.64 O HETATM 2389 O HOH B2112 50.001 40.641 27.135 1.00 24.49 O HETATM 2390 O HOH B2113 52.286 38.282 24.024 1.00 23.55 O HETATM 2391 O HOH B2114 52.144 34.467 31.452 1.00 37.81 O HETATM 2392 O HOH B2115 49.761 35.747 33.257 1.00 33.14 O HETATM 2393 O HOH B2116 51.032 39.002 31.976 1.00 61.67 O HETATM 2394 O HOH B2117 55.169 27.982 24.874 1.00 16.36 O HETATM 2395 O HOH B2118 49.964 32.860 35.777 1.00 35.84 O HETATM 2396 O HOH B2119 52.673 30.770 32.567 1.00 30.75 O HETATM 2397 O HOH B2120 44.632 29.511 34.441 1.00 9.95 O HETATM 2398 O HOH B2121 29.406 15.069 49.794 1.00 11.55 O HETATM 2399 O HOH B2122 19.740 13.954 54.718 1.00 21.54 O HETATM 2400 O HOH B2124 17.647 10.512 56.124 1.00 32.47 O HETATM 2401 O HOH B2125 26.577 4.734 51.485 1.00 40.66 O HETATM 2402 O HOH B2126 31.638 6.159 52.777 1.00 52.36 O HETATM 2403 O HOH B2127 29.653 8.663 53.916 1.00 33.92 O HETATM 2404 O HOH B2128 32.177 4.602 47.420 1.00 42.72 O HETATM 2405 O HOH B2129 21.554 4.806 44.979 1.00 17.22 O HETATM 2406 O HOH B2130 18.835 5.510 40.435 1.00 13.99 O HETATM 2407 O HOH B2131 19.218 -2.681 41.799 1.00 32.42 O HETATM 2408 O HOH B2132 21.685 -0.338 46.052 1.00 54.18 O HETATM 2409 O HOH B2133 22.671 -2.332 42.808 1.00 29.53 O HETATM 2410 O HOH B2134 14.261 -0.251 40.556 1.00 38.33 O HETATM 2411 O HOH C2238 40.914 34.199 23.626 1.00 36.73 O HETATM 2412 O HOH C2239 34.152 33.654 20.658 1.00 39.15 O HETATM 2413 O HOH C2240 38.121 35.290 21.206 1.00 44.98 O HETATM 2414 O HOH C2241 37.179 38.803 31.493 1.00 52.99 O HETATM 2415 O HOH C2242 35.517 36.741 27.459 1.00 31.55 O CONECT 1071 2041 CONECT 1999 2000 2001 2009 CONECT 2000 1999 CONECT 2001 1999 2002 CONECT 2002 2001 2003 CONECT 2003 2002 2004 2008 CONECT 2004 2003 2005 CONECT 2005 2004 2006 CONECT 2006 2005 2007 CONECT 2007 2006 2008 CONECT 2008 2003 2007 CONECT 2009 1999 CONECT 2028 2033 CONECT 2033 2028 2036 CONECT 2034 2035 2036 2041 CONECT 2035 2034 CONECT 2036 2033 2034 2037 CONECT 2037 2036 2038 CONECT 2038 2037 2039 2040 CONECT 2039 2038 CONECT 2040 2038 CONECT 2041 1071 2034 2042 CONECT 2042 2041 2043 CONECT 2043 2042 2044 2045 CONECT 2044 2043 CONECT 2045 2043 2046 CONECT 2046 2045 2047 CONECT 2047 2046 END