USER MOD reduce.3.24.130724 H: found=0, std=0, add=2002, rem=0, adj=76 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE/HYDROLASE INHIBITOR 29-SEP-05 2C2O 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)-14-{4-[BENZYL(METHYL) COMPND 5 AMINO]-4-OXOBUTANOYL}-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1- COMPND 6 METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14- COMPND 7 PENTAAZAHEXADECAN-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: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) (STRATAGENE); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET11D (NOVAGEN); 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 3 13-JUL-11 2C2O 1 VERSN REVDAT 2 24-FEB-09 2C2O 1 VERSN REVDAT 1 20-SEP-06 2C2O 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. 2.45 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) : 2.45 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.55 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1590597.210 REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 10094 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) : 0.168 REMARK 3 FREE R VALUE : 0.215 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.300 REMARK 3 FREE R VALUE TEST SET COUNT : 1040 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 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) : 2.45 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.60 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.20 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1457 REMARK 3 BIN R VALUE (WORKING SET) : 0.2020 REMARK 3 BIN FREE R VALUE : 0.2630 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 144 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.022 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2051 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 149 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 22.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.00 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 1.05000 REMARK 3 B22 (A**2) : 4.11000 REMARK 3 B33 (A**2) : -5.15000 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) : 0.21 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) : 0.29 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.30 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.90 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.62 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) : 1.200 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 1.930 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.160 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.070 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.36 REMARK 3 BSOL : 37.18 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 2C2O COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 30-SEP-05. REMARK 100 THE PDBE ID CODE IS EBI-25821. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-JAN-05 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 : 10094 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.450 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 (%) : 99.2 REMARK 200 DATA REDUNDANCY : 5.800 REMARK 200 R MERGE (I) : 0.08000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 19.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.45 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.58 REMARK 200 COMPLETENESS FOR SHELL (%) : 95.8 REMARK 200 DATA REDUNDANCY IN SHELL : 5.40 REMARK 200 R MERGE FOR SHELL (I) : 0.24000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 7.000 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 (%): 46.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.28 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 33.20100 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 41.74550 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 48.17800 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 33.20100 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 41.74550 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 48.17800 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 33.20100 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 41.74550 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 48.17800 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 33.20100 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 41.74550 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 48.17800 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 66.40200 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 96.35600 REMARK 400 REMARK 400 COMPOUND REMARK 400 THE INITIAL LIGAND USED IN THE EXPERIMENT WAS CBZ-DEVAD-CH=CH- REMARK 400 CON(CH3)BZL, INDICATED AS 18O IN THE PRIMARY PUBLICATION. UPON REMARK 400 REACTION, THE DOUBLE BOND OPENED UP AND FORMED A COVALENT BOND REMARK 400 BETWEEN ATOM C10 OF RESIDUE MX3 5 OF CHAIN C AND ATOM SG OF CYS 163 REMARK 400 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: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 OE2 GLU A 123 OE2 GLU A 123 2665 2.18 REMARK 500 REMARK 500 REMARK: NULL 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 LYS A 82 30.86 75.25 REMARK 500 SER A 120 -175.73 -174.68 REMARK 500 ASP B 192 31.12 72.68 REMARK 500 LYS B 229 -31.82 -141.53 REMARK 500 REMARK 500 REMARK: NULL 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 AZA-PEPTIDE REMARK 800 INHIBITOR (5S,8R,11S)-14-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}- REMARK 800 8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12- REMARK 800 TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC 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: 2C2K 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: 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 2C2O A 29 175 UNP P42574 CASP3_HUMAN 29 175 DBREF 2C2O B 175 175 PDB 2C2O 2C2O 175 175 DBREF 2C2O B 176 277 UNP P42574 CASP3_HUMAN 176 277 DBREF 2C2O C 1 5 PDB 2C2O 2C2O 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 MX3 HET PHQ C 1 10 HET MX3 C 5 21 HETNAM PHQ BENZYL CHLOROCARBONATE HETNAM MX3 (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO) HETNAM 2 MX3 ACETIC ACID HETSYN MX3 AZA-ASPARTATE-N-BENZYL-N-METHYL-ACRYLAMIDE FORMUL 3 PHQ C8 H7 CL O2 FORMUL 3 MX3 C14 H19 N3 O4 FORMUL 4 HOH *149(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 PHE A 128 -1 O ILE A 126 N GLU A 123 SHEET 3 AB 3 PRO A 133 ASP A 135 -1 O VAL A 134 N ILE A 127 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 N20 MX3 C 5 1555 1555 1.31 LINK SG CYS A 163 C10 MX3 C 5 1555 1555 1.91 SITE *** AC1 23 ARG A 64 SER A 65 GLU A 84 SER A 120 SITE *** AC1 23 HIS A 121 GLY A 122 GLU A 123 PHE A 128 SITE *** AC1 23 GLN A 161 ALA A 162 CYS A 163 THR A 166 SITE *** AC1 23 ASP B 179 TYR B 204 SER B 205 TRP B 206 SITE *** AC1 23 ARG B 207 ASN B 208 SER B 209 TRP B 214 SITE *** AC1 23 SER B 249 PHE B 250 HOH C2087 CRYST1 66.402 83.491 96.356 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 0.015060 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011977 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010378 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 MX3H202 : C 5 MX3 N20 : C 4 VAL C :(H bumps) USER MOD NoAdj-H: C 5 MX3H201 : C 5 MX3 N20 : C 4 VAL C :(H bumps) USER MOD NoAdj-H: C 5 MX3H102 : C 5 MX3 C10 : A 163 CYS SG :(H bumps) USER MOD NoAdj-H: C 5 MX3 H8 : C 5 MX3 O8 : C 5 MX3 C13 :(short bond) USER MOD Set 1.1: A 73 ASN : amide:sc= 1.42 K(o=4.6,f=-11!) USER MOD Set 1.2: B 224 LYS NZ :NH3+ -139:sc= 3.18 (180deg=0.94) USER MOD Set 2.1: B 222 MET CE :methyl 135:sc= -1.52 (180deg=-3.92!) USER MOD Set 2.2: B 225 GLN : amide:sc= 1.94 K(o=0.42,f=-3.1) USER MOD Set 3.1: A 170 CYS SG : rot 180:sc= 0.357 USER MOD Set 3.2: B 259 LYS NZ :NH3+ -131:sc= 0.333 (180deg=0.0819) USER MOD Set 4.1: A 161 GLN : amide:sc= 1.45 X(o=5.5,f=5.1) USER MOD Set 4.2: B 198 SER OG : rot -52:sc= 2.39 USER MOD Set 4.3: B 205 SER OG : rot 137:sc= 1.64 USER MOD Set 5.1: A 51 ASN : amide:sc= 2.27 K(o=4.4,f=-4.5!) USER MOD Set 5.2: A 67 THR OG1 : rot -99:sc= 3.06 USER MOD Set 5.3: A 87 ASN : amide:sc= -0.164 K(o=4.4,f=3) USER MOD Set 5.4: A 89 ASN : amide:sc= -0.79 K(o=4.4,f=-5.9!) USER MOD Set 6.1: A 77 THR OG1 : rot 82:sc= 0.086 USER MOD Set 6.2: B 220 CYS SG : rot 140:sc= 0 USER MOD Set 7.1: A 59 THR OG1 : rot -79:sc= 1.35 USER MOD Set 7.2: A 61 MET CE :methyl 168:sc= -1.29 (180deg=-1.77) USER MOD Set 8.1: A 39 MET CE :methyl -148:sc= -0.367 (180deg=-1.33) USER MOD Set 8.2: A 44 MET CE :methyl -151:sc= -0.0221 (180deg=-0.806) USER MOD Set 8.3: A 83 TYR OH : rot -157:sc= 1.3 USER MOD Set 8.4: A 113 SER OG : rot -21:sc= 1.2 USER MOD Set 9.1: A 37 TYR OH : rot 2:sc= 1.56 USER MOD Set 9.2: B 270 THR OG1 : rot -85:sc= 1.98 USER MOD Single : A 29 SER OG : rot -26:sc= 0.0965 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.47 X(o=1.5,f=1.1) USER MOD Single : A 36 SER OG : rot -91:sc= 0.00206 USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 1.07 (180deg=0.911) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 151:sc= 0.906 USER MOD Single : A 52 ASN : amide:sc= 0.74 K(o=0.74,f=-4.8!) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 1.1 (180deg=1.08) USER MOD Single : A 54 ASN : amide:sc= -0.0967 X(o=-0.097,f=0) USER MOD Single : A 56 HIS : no HE2:sc= 0.161 K(o=0.16,f=-0.41) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00998 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -153:sc= -1.23 USER MOD Single : A 80 ASN :FLIP amide:sc= 0.835 F(o=-0.067!,f=0.83) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 1.36 (180deg=1.36) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -156:sc= -0.787 USER MOD Single : A 100 MET CE :methyl -117:sc= -1.75 (180deg=-7.41!) USER MOD Single : A 104 SER OG : rot -44:sc= 1.26 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0.829 K(o=0.83,f=-4.7!) USER MOD Single : A 109 SER OG : rot 85:sc= 1.01 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 69:sc= -1.91! USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 67:sc= -0.326! USER MOD Single : A 121 HIS : no HD1:sc= -1.95! C(o=-1.9!,f=-6.3!) USER MOD Single : A 130 THR OG1 : rot 143:sc= 1.3 USER MOD Single : A 131 ASN : amide:sc= 0.612 K(o=0.61,f=-9.8!) USER MOD Single : A 137 LYS NZ :NH3+ -160:sc= 2 (180deg=1.53) USER MOD Single : A 138 LYS NZ :NH3+ 142:sc= 0.1 (180deg=-1.32!) USER MOD Single : A 140 THR OG1 : rot 88:sc= 1.19 USER MOD Single : A 141 ASN : amide:sc= 0.694 K(o=0.69,f=-1.7!) USER MOD Single : A 148 CYS SG : rot 82:sc= 0.732 USER MOD Single : A 150 SER OG : rot -94:sc= 1.8 USER MOD Single : A 152 THR OG1 : rot -93:sc= -0.104 USER MOD Single : A 154 LYS NZ :NH3+ -179:sc= 1.48 (180deg=1.48) USER MOD Single : A 156 LYS NZ :NH3+ -162:sc= 1.21 (180deg=0.8) USER MOD Single : A 166 THR OG1 : rot 73:sc= 0.539 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : B 176 SER OG : rot 14:sc= 0.437 USER MOD Single : B 182 MET CE :methyl 162:sc= -0.0831 (180deg=-0.264) USER MOD Single : B 184 CYS SG : rot 180:sc= 0 USER MOD Single : B 185 HIS : no HE2:sc= 1.3 K(o=1.3,f=-0.96) USER MOD Single : B 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 195 TYR OH : rot 180:sc= 0 USER MOD Single : B 197 TYR OH : rot -2:sc= 2.65 USER MOD Single : B 199 THR OG1 : rot 171:sc= 1.56 USER MOD Single : B 203 TYR OH : rot 180:sc= 0 USER MOD Single : B 204 TYR OH : rot 180:sc= 0 USER MOD Single : B 208 ASN : amide:sc= 1.49 K(o=1.5,f=-11!) USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD Single : B 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 213 SER OG : rot -85:sc= -0.518! USER MOD Single : B 217 GLN : amide:sc= 0.114 X(o=0.11,f=0) USER MOD Single : B 218 SER OG : rot 88:sc= 0.207 USER MOD Single : B 226 TYR OH : rot 30:sc= 0.393 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : B 233 MET CE :methyl -174:sc= -0.171 (180deg=-0.288) USER MOD Single : B 234 HIS : no HD1:sc= 0.458 X(o=0.46,f=-0.0024) USER MOD Single : B 237 THR OG1 : rot 68:sc= 0.817 USER MOD Single : B 240 ASN : amide:sc= -2.11! C(o=-2.1!,f=-7.2!) USER MOD Single : B 242 LYS NZ :NH3+ 173:sc= 0.781 (180deg=0.692) USER MOD Single : B 245 THR OG1 : rot -75:sc= 1.33 USER MOD Single : B 249 SER OG : rot 128:sc= 2.05 USER MOD Single : B 251 SER OG : rot 170:sc= 0.0813 USER MOD Single : B 255 THR OG1 : rot 180:sc= 0 USER MOD Single : B 257 HIS : no HD1:sc= 1.69 K(o=1.7,f=-6.9!) USER MOD Single : B 260 LYS NZ :NH3+ -165:sc= 2.43 (180deg=2.28) USER MOD Single : B 261 GLN : amide:sc= 1.24 K(o=1.2,f=-5.3!) USER MOD Single : B 264 CYS SG : rot -106:sc= 0.0233 USER MOD Single : B 267 SER OG : rot 180:sc= 1.27 USER MOD Single : B 268 MET CE :methyl 158:sc= -0.829 (180deg=-2.46) USER MOD Single : B 271 LYS NZ :NH3+ 149:sc= 0.565 (180deg=0.361) USER MOD Single : B 274 TYR OH : rot 151:sc= 1.73 USER MOD Single : B 276 TYR OH : rot 180:sc= 0 USER MOD Single : B 277 HIS : no HE2:sc= 1.67 K(o=1.7,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 29 11.987 -5.257 59.687 1.00 32.92 N ATOM 2 CA SER A 29 13.019 -5.803 58.758 1.00 32.95 C ATOM 3 C SER A 29 14.409 -5.695 59.370 1.00 31.82 C ATOM 4 O SER A 29 14.549 -5.533 60.579 1.00 33.03 O ATOM 5 CB SER A 29 12.976 -5.051 57.422 1.00 33.94 C ATOM 6 OG SER A 29 13.109 -3.654 57.614 1.00 34.76 O ATOM 0 HA SER A 29 12.824 -6.740 58.603 1.00 32.95 H new ATOM 0 HB2 SER A 29 13.688 -5.370 56.846 1.00 33.94 H new ATOM 0 HB3 SER A 29 12.139 -5.239 56.969 1.00 33.94 H new ATOM 0 HG SER A 29 12.831 -3.448 58.380 1.00 34.76 H new ATOM 7 N GLY A 30 15.435 -5.781 58.528 1.00 31.70 N ATOM 8 CA GLY A 30 16.802 -5.702 59.009 1.00 28.81 C ATOM 9 C GLY A 30 17.306 -4.295 59.270 1.00 28.55 C ATOM 10 O GLY A 30 16.548 -3.325 59.201 1.00 27.67 O ATOM 0 H GLY A 30 15.358 -5.885 57.678 1.00 31.70 H new ATOM 0 HA2 GLY A 30 16.873 -6.214 59.830 1.00 28.81 H new ATOM 0 HA3 GLY A 30 17.385 -6.125 58.359 1.00 28.81 H new ATOM 11 N ILE A 31 18.598 -4.198 59.575 1.00 29.03 N ATOM 12 CA ILE A 31 19.265 -2.928 59.854 1.00 28.60 C ATOM 13 C ILE A 31 19.154 -1.956 58.673 1.00 28.19 C ATOM 14 O ILE A 31 19.594 -2.260 57.565 1.00 25.90 O ATOM 15 CB ILE A 31 20.773 -3.154 60.163 1.00 30.80 C ATOM 16 CG1 ILE A 31 20.936 -4.161 61.308 1.00 31.09 C ATOM 17 CG2 ILE A 31 21.447 -1.829 60.500 1.00 29.33 C ATOM 18 CD1 ILE A 31 20.266 -3.757 62.611 1.00 34.83 C ATOM 0 H ILE A 31 19.120 -4.879 59.626 1.00 29.03 H new ATOM 0 HA ILE A 31 18.820 -2.543 60.625 1.00 28.60 H new ATOM 0 HB ILE A 31 21.204 -3.521 59.375 1.00 30.80 H new ATOM 0 HG12 ILE A 31 20.575 -5.015 61.024 1.00 31.09 H new ATOM 0 HG13 ILE A 31 21.883 -4.294 61.473 1.00 31.09 H new ATOM 0 HG21 ILE A 31 22.386 -1.982 60.691 1.00 29.33 H new ATOM 0 HG22 ILE A 31 21.365 -1.223 59.747 1.00 29.33 H new ATOM 0 HG23 ILE A 31 21.020 -1.437 61.277 1.00 29.33 H new ATOM 0 HD11 ILE A 31 20.416 -4.444 63.279 1.00 34.83 H new ATOM 0 HD12 ILE A 31 20.641 -2.918 62.921 1.00 34.83 H new ATOM 0 HD13 ILE A 31 19.313 -3.651 62.466 1.00 34.83 H new ATOM 19 N SER A 32 18.558 -0.794 58.925 1.00 29.28 N ATOM 20 CA SER A 32 18.380 0.251 57.915 1.00 31.00 C ATOM 21 C SER A 32 19.354 1.383 58.238 1.00 31.58 C ATOM 22 O SER A 32 19.204 2.063 59.252 1.00 32.65 O ATOM 23 CB SER A 32 16.942 0.779 57.953 1.00 30.39 C ATOM 24 OG SER A 32 16.785 1.918 57.124 1.00 33.07 O ATOM 0 H SER A 32 18.241 -0.586 59.697 1.00 29.28 H new ATOM 0 HA SER A 32 18.552 -0.105 57.029 1.00 31.00 H new ATOM 0 HB2 SER A 32 16.332 0.082 57.665 1.00 30.39 H new ATOM 0 HB3 SER A 32 16.703 1.006 58.865 1.00 30.39 H new ATOM 0 HG SER A 32 15.990 2.185 57.162 1.00 33.07 H new ATOM 25 N LEU A 33 20.343 1.588 57.374 1.00 32.68 N ATOM 26 CA LEU A 33 21.355 2.616 57.604 1.00 32.89 C ATOM 27 C LEU A 33 21.009 4.016 57.095 1.00 33.34 C ATOM 28 O LEU A 33 21.054 4.991 57.850 1.00 34.94 O ATOM 29 CB LEU A 33 22.690 2.161 57.004 1.00 31.88 C ATOM 30 CG LEU A 33 23.235 0.847 57.574 1.00 32.09 C ATOM 31 CD1 LEU A 33 24.619 0.569 57.007 1.00 31.44 C ATOM 32 CD2 LEU A 33 23.294 0.936 59.093 1.00 31.43 C ATOM 0 H LEU A 33 20.447 1.142 56.646 1.00 32.68 H new ATOM 0 HA LEU A 33 21.408 2.709 58.568 1.00 32.89 H new ATOM 0 HB2 LEU A 33 22.583 2.063 56.045 1.00 31.88 H new ATOM 0 HB3 LEU A 33 23.349 2.859 57.146 1.00 31.88 H new ATOM 0 HG LEU A 33 22.646 0.119 57.323 1.00 32.09 H new ATOM 0 HD11 LEU A 33 24.957 -0.264 57.372 1.00 31.44 H new ATOM 0 HD12 LEU A 33 24.565 0.500 56.041 1.00 31.44 H new ATOM 0 HD13 LEU A 33 25.218 1.293 57.246 1.00 31.44 H new ATOM 0 HD21 LEU A 33 23.639 0.104 59.453 1.00 31.43 H new ATOM 0 HD22 LEU A 33 23.877 1.666 59.352 1.00 31.43 H new ATOM 0 HD23 LEU A 33 22.403 1.094 59.443 1.00 31.43 H new ATOM 33 N ASP A 34 20.680 4.117 55.814 1.00 32.09 N ATOM 34 CA ASP A 34 20.333 5.401 55.216 1.00 31.89 C ATOM 35 C ASP A 34 21.533 6.343 55.112 1.00 28.61 C ATOM 36 O ASP A 34 21.496 7.468 55.610 1.00 26.16 O ATOM 37 CB ASP A 34 19.229 6.092 56.021 1.00 34.64 C ATOM 38 CG ASP A 34 18.286 6.897 55.142 1.00 39.04 C ATOM 39 OD1 ASP A 34 18.710 7.355 54.051 1.00 38.98 O ATOM 40 OD2 ASP A 34 17.117 7.077 55.551 1.00 42.49 O ATOM 0 H ASP A 34 20.651 3.451 55.270 1.00 32.09 H new ATOM 0 HA ASP A 34 20.021 5.208 54.318 1.00 31.89 H new ATOM 0 HB2 ASP A 34 18.722 5.424 56.508 1.00 34.64 H new ATOM 0 HB3 ASP A 34 19.632 6.679 56.680 1.00 34.64 H new ATOM 41 N ASN A 35 22.595 5.877 54.463 1.00 26.30 N ATOM 42 CA ASN A 35 23.793 6.687 54.278 1.00 22.78 C ATOM 43 C ASN A 35 23.785 7.335 52.893 1.00 20.20 C ATOM 44 O ASN A 35 24.619 8.190 52.593 1.00 18.19 O ATOM 45 CB ASN A 35 25.053 5.832 54.441 1.00 22.33 C ATOM 46 CG ASN A 35 25.244 5.338 55.863 1.00 23.66 C ATOM 47 OD1 ASN A 35 25.127 6.107 56.816 1.00 23.17 O ATOM 48 ND2 ASN A 35 25.553 4.052 56.013 1.00 21.57 N ATOM 0 H ASN A 35 22.642 5.090 54.120 1.00 26.30 H new ATOM 0 HA ASN A 35 23.797 7.382 54.955 1.00 22.78 H new ATOM 0 HB2 ASN A 35 25.003 5.071 53.842 1.00 22.33 H new ATOM 0 HB3 ASN A 35 25.828 6.351 54.176 1.00 22.33 H new ATOM 0 HD21 ASN A 35 25.679 3.729 56.800 1.00 21.57 H new ATOM 0 HD22 ASN A 35 25.626 3.544 55.323 1.00 21.57 H new ATOM 49 N SER A 36 22.842 6.923 52.051 1.00 18.01 N ATOM 50 CA SER A 36 22.739 7.479 50.704 1.00 18.58 C ATOM 51 C SER A 36 21.324 7.965 50.411 1.00 16.45 C ATOM 52 O SER A 36 20.359 7.423 50.943 1.00 17.86 O ATOM 53 CB SER A 36 23.148 6.435 49.664 1.00 17.64 C ATOM 54 OG SER A 36 22.245 5.351 49.664 1.00 21.83 O ATOM 0 H SER A 36 22.254 6.325 52.239 1.00 18.01 H new ATOM 0 HA SER A 36 23.341 8.238 50.653 1.00 18.58 H new ATOM 0 HB2 SER A 36 23.173 6.841 48.784 1.00 17.64 H new ATOM 0 HB3 SER A 36 24.044 6.116 49.854 1.00 17.64 H new ATOM 0 HG SER A 36 22.516 4.761 50.197 1.00 21.83 H new ATOM 55 N TYR A 37 21.210 8.991 49.571 1.00 14.59 N ATOM 56 CA TYR A 37 19.909 9.549 49.198 1.00 13.64 C ATOM 57 C TYR A 37 19.019 8.541 48.477 1.00 14.39 C ATOM 58 O TYR A 37 19.489 7.757 47.652 1.00 15.98 O ATOM 59 CB TYR A 37 20.078 10.746 48.265 1.00 11.71 C ATOM 60 CG TYR A 37 20.605 12.007 48.899 1.00 9.53 C ATOM 61 CD1 TYR A 37 19.834 12.731 49.807 1.00 9.15 C ATOM 62 CD2 TYR A 37 21.856 12.509 48.545 1.00 7.92 C ATOM 63 CE1 TYR A 37 20.295 13.933 50.341 1.00 10.63 C ATOM 64 CE2 TYR A 37 22.328 13.704 49.070 1.00 9.62 C ATOM 65 CZ TYR A 37 21.545 14.415 49.964 1.00 10.24 C ATOM 66 OH TYR A 37 22.008 15.615 50.456 1.00 11.50 O ATOM 0 H TYR A 37 21.881 9.383 49.202 1.00 14.59 H new ATOM 0 HA TYR A 37 19.490 9.809 50.033 1.00 13.64 H new ATOM 0 HB2 TYR A 37 20.677 10.491 47.546 1.00 11.71 H new ATOM 0 HB3 TYR A 37 19.218 10.943 47.861 1.00 11.71 H new ATOM 0 HD1 TYR A 37 19.000 12.407 50.060 1.00 9.15 H new ATOM 0 HD2 TYR A 37 22.385 12.034 47.945 1.00 7.92 H new ATOM 0 HE1 TYR A 37 19.772 14.409 50.944 1.00 10.63 H new ATOM 0 HE2 TYR A 37 23.165 14.025 48.823 1.00 9.62 H new ATOM 0 HH TYR A 37 21.444 15.936 50.989 1.00 11.50 H new ATOM 67 N LYS A 38 17.728 8.579 48.781 1.00 14.48 N ATOM 68 CA LYS A 38 16.770 7.701 48.133 1.00 14.80 C ATOM 69 C LYS A 38 16.679 8.176 46.688 1.00 15.06 C ATOM 70 O LYS A 38 16.193 9.274 46.429 1.00 16.09 O ATOM 71 CB LYS A 38 15.403 7.829 48.814 1.00 16.62 C ATOM 72 CG LYS A 38 14.269 7.062 48.140 1.00 18.40 C ATOM 73 CD LYS A 38 12.932 7.316 48.848 1.00 18.78 C ATOM 74 CE LYS A 38 11.747 6.809 48.025 1.00 17.18 C ATOM 75 NZ LYS A 38 11.790 5.331 47.823 1.00 19.43 N ATOM 0 H LYS A 38 17.386 9.111 49.364 1.00 14.48 H new ATOM 0 HA LYS A 38 17.041 6.771 48.187 1.00 14.80 H new ATOM 0 HB2 LYS A 38 15.484 7.521 49.730 1.00 16.62 H new ATOM 0 HB3 LYS A 38 15.162 8.768 48.851 1.00 16.62 H new ATOM 0 HG2 LYS A 38 14.202 7.330 47.210 1.00 18.40 H new ATOM 0 HG3 LYS A 38 14.467 6.113 48.148 1.00 18.40 H new ATOM 0 HD2 LYS A 38 12.936 6.877 49.713 1.00 18.78 H new ATOM 0 HD3 LYS A 38 12.829 8.266 49.012 1.00 18.78 H new ATOM 0 HE2 LYS A 38 10.920 7.049 48.471 1.00 17.18 H new ATOM 0 HE3 LYS A 38 11.742 7.251 47.162 1.00 17.18 H new ATOM 0 HZ1 LYS A 38 10.960 5.011 47.796 1.00 19.43 H new ATOM 0 HZ2 LYS A 38 12.203 5.148 47.056 1.00 19.43 H new ATOM 0 HZ3 LYS A 38 12.232 4.952 48.496 1.00 19.43 H new ATOM 76 N MET A 39 17.159 7.362 45.751 1.00 13.65 N ATOM 77 CA MET A 39 17.125 7.730 44.338 1.00 13.28 C ATOM 78 C MET A 39 16.216 6.821 43.510 1.00 14.93 C ATOM 79 O MET A 39 16.343 6.755 42.287 1.00 13.98 O ATOM 80 CB MET A 39 18.539 7.702 43.758 1.00 12.19 C ATOM 81 CG MET A 39 19.474 8.733 44.363 1.00 12.96 C ATOM 82 SD MET A 39 18.885 10.426 44.090 1.00 13.01 S ATOM 83 CE MET A 39 19.468 10.702 42.413 1.00 9.89 C ATOM 0 H MET A 39 17.508 6.593 45.912 1.00 13.65 H new ATOM 0 HA MET A 39 16.758 8.627 44.290 1.00 13.28 H new ATOM 0 HB2 MET A 39 18.916 6.818 43.892 1.00 12.19 H new ATOM 0 HB3 MET A 39 18.489 7.847 42.800 1.00 12.19 H new ATOM 0 HG2 MET A 39 19.560 8.571 45.315 1.00 12.96 H new ATOM 0 HG3 MET A 39 20.358 8.633 43.977 1.00 12.96 H new ATOM 0 HE1 MET A 39 19.689 11.639 42.297 1.00 9.89 H new ATOM 0 HE2 MET A 39 20.257 10.162 42.251 1.00 9.89 H new ATOM 0 HE3 MET A 39 18.773 10.454 41.784 1.00 9.89 H new ATOM 84 N ASP A 40 15.295 6.129 44.174 1.00 16.32 N ATOM 85 CA ASP A 40 14.386 5.225 43.480 1.00 16.61 C ATOM 86 C ASP A 40 12.966 5.762 43.361 1.00 15.53 C ATOM 87 O ASP A 40 12.013 4.989 43.278 1.00 16.37 O ATOM 88 CB ASP A 40 14.356 3.851 44.168 1.00 18.98 C ATOM 89 CG ASP A 40 13.747 3.900 45.561 1.00 20.32 C ATOM 90 OD1 ASP A 40 13.523 2.819 46.143 1.00 26.13 O ATOM 91 OD2 ASP A 40 13.494 5.006 46.081 1.00 20.98 O ATOM 0 H ASP A 40 15.181 6.169 45.025 1.00 16.32 H new ATOM 0 HA ASP A 40 14.736 5.141 42.579 1.00 16.61 H new ATOM 0 HB2 ASP A 40 13.850 3.231 43.620 1.00 18.98 H new ATOM 0 HB3 ASP A 40 15.260 3.504 44.227 1.00 18.98 H new ATOM 92 N TYR A 41 12.816 7.082 43.380 1.00 14.37 N ATOM 93 CA TYR A 41 11.495 7.671 43.212 1.00 12.89 C ATOM 94 C TYR A 41 11.089 7.388 41.765 1.00 12.26 C ATOM 95 O TYR A 41 11.934 7.052 40.933 1.00 9.88 O ATOM 96 CB TYR A 41 11.526 9.185 43.434 1.00 13.48 C ATOM 97 CG TYR A 41 11.445 9.615 44.880 1.00 15.48 C ATOM 98 CD1 TYR A 41 12.596 9.752 45.655 1.00 15.59 C ATOM 99 CD2 TYR A 41 10.212 9.896 45.473 1.00 14.82 C ATOM 100 CE1 TYR A 41 12.525 10.161 46.982 1.00 14.58 C ATOM 101 CE2 TYR A 41 10.128 10.303 46.796 1.00 14.72 C ATOM 102 CZ TYR A 41 11.290 10.435 47.545 1.00 17.47 C ATOM 103 OH TYR A 41 11.219 10.847 48.856 1.00 20.82 O ATOM 0 H TYR A 41 13.456 7.646 43.487 1.00 14.37 H new ATOM 0 HA TYR A 41 10.874 7.296 43.856 1.00 12.89 H new ATOM 0 HB2 TYR A 41 12.343 9.539 43.050 1.00 13.48 H new ATOM 0 HB3 TYR A 41 10.788 9.586 42.949 1.00 13.48 H new ATOM 0 HD1 TYR A 41 13.426 9.567 45.278 1.00 15.59 H new ATOM 0 HD2 TYR A 41 9.434 9.809 44.972 1.00 14.82 H new ATOM 0 HE1 TYR A 41 13.301 10.250 47.487 1.00 14.58 H new ATOM 0 HE2 TYR A 41 9.300 10.486 47.179 1.00 14.72 H new ATOM 0 HH TYR A 41 10.416 10.978 49.066 1.00 20.82 H new ATOM 104 N PRO A 42 9.791 7.518 41.445 1.00 11.68 N ATOM 105 CA PRO A 42 9.325 7.265 40.079 1.00 10.79 C ATOM 106 C PRO A 42 10.186 7.965 39.028 1.00 12.16 C ATOM 107 O PRO A 42 10.474 7.398 37.976 1.00 11.01 O ATOM 108 CB PRO A 42 7.897 7.800 40.102 1.00 9.71 C ATOM 109 CG PRO A 42 7.465 7.505 41.494 1.00 10.66 C ATOM 110 CD PRO A 42 8.669 7.915 42.316 1.00 10.52 C ATOM 0 HA PRO A 42 9.377 6.329 39.831 1.00 10.79 H new ATOM 0 HB2 PRO A 42 7.864 8.750 39.907 1.00 9.71 H new ATOM 0 HB3 PRO A 42 7.335 7.357 39.448 1.00 9.71 H new ATOM 0 HG2 PRO A 42 6.674 8.009 41.739 1.00 10.66 H new ATOM 0 HG3 PRO A 42 7.251 6.566 41.613 1.00 10.66 H new ATOM 0 HD2 PRO A 42 8.674 8.867 42.502 1.00 10.52 H new ATOM 0 HD3 PRO A 42 8.696 7.459 43.172 1.00 10.52 H new ATOM 111 N GLU A 43 10.602 9.194 39.324 1.00 13.15 N ATOM 112 CA GLU A 43 11.420 9.973 38.397 1.00 13.91 C ATOM 113 C GLU A 43 12.740 10.398 39.027 1.00 13.77 C ATOM 114 O GLU A 43 12.807 10.653 40.231 1.00 13.29 O ATOM 115 CB GLU A 43 10.668 11.233 37.968 1.00 15.94 C ATOM 116 CG GLU A 43 9.336 10.982 37.300 1.00 20.73 C ATOM 117 CD GLU A 43 8.406 12.172 37.426 1.00 25.44 C ATOM 118 OE1 GLU A 43 8.830 13.304 37.108 1.00 26.86 O ATOM 119 OE2 GLU A 43 7.247 11.971 37.848 1.00 31.25 O ATOM 0 H GLU A 43 10.420 9.597 40.061 1.00 13.15 H new ATOM 0 HA GLU A 43 11.604 9.405 37.633 1.00 13.91 H new ATOM 0 HB2 GLU A 43 10.524 11.790 38.749 1.00 15.94 H new ATOM 0 HB3 GLU A 43 11.230 11.738 37.360 1.00 15.94 H new ATOM 0 HG2 GLU A 43 9.478 10.781 36.362 1.00 20.73 H new ATOM 0 HG3 GLU A 43 8.918 10.202 37.697 1.00 20.73 H new ATOM 120 N MET A 44 13.785 10.485 38.212 1.00 11.79 N ATOM 121 CA MET A 44 15.081 10.914 38.710 1.00 12.71 C ATOM 122 C MET A 44 15.010 12.408 39.036 1.00 13.25 C ATOM 123 O MET A 44 15.600 12.878 40.011 1.00 13.45 O ATOM 124 CB MET A 44 16.169 10.653 37.664 1.00 11.88 C ATOM 125 CG MET A 44 16.716 9.234 37.675 1.00 11.36 C ATOM 126 SD MET A 44 17.602 8.848 39.220 1.00 13.68 S ATOM 127 CE MET A 44 19.240 9.516 38.851 1.00 12.22 C ATOM 0 H MET A 44 13.763 10.301 37.372 1.00 11.79 H new ATOM 0 HA MET A 44 15.305 10.412 39.509 1.00 12.71 H new ATOM 0 HB2 MET A 44 15.809 10.844 36.783 1.00 11.88 H new ATOM 0 HB3 MET A 44 16.901 11.272 37.812 1.00 11.88 H new ATOM 0 HG2 MET A 44 15.985 8.607 37.558 1.00 11.36 H new ATOM 0 HG3 MET A 44 17.316 9.115 36.922 1.00 11.36 H new ATOM 0 HE1 MET A 44 19.912 9.014 39.339 1.00 12.22 H new ATOM 0 HE2 MET A 44 19.412 9.445 37.899 1.00 12.22 H new ATOM 0 HE3 MET A 44 19.277 10.448 39.117 1.00 12.22 H new ATOM 128 N GLY A 45 14.269 13.148 38.219 1.00 12.78 N ATOM 129 CA GLY A 45 14.136 14.575 38.438 1.00 12.43 C ATOM 130 C GLY A 45 14.481 15.408 37.216 1.00 12.88 C ATOM 131 O GLY A 45 14.920 14.893 36.185 1.00 11.08 O ATOM 0 H GLY A 45 13.840 12.843 37.539 1.00 12.78 H new ATOM 0 HA2 GLY A 45 13.225 14.770 38.708 1.00 12.43 H new ATOM 0 HA3 GLY A 45 14.712 14.838 39.173 1.00 12.43 H new ATOM 132 N LEU A 46 14.289 16.714 37.342 1.00 12.49 N ATOM 133 CA LEU A 46 14.567 17.631 36.251 1.00 12.96 C ATOM 134 C LEU A 46 16.045 17.974 36.109 1.00 13.88 C ATOM 135 O LEU A 46 16.790 17.997 37.088 1.00 13.85 O ATOM 136 CB LEU A 46 13.792 18.936 36.450 1.00 10.69 C ATOM 137 CG LEU A 46 12.270 18.885 36.558 1.00 9.67 C ATOM 138 CD1 LEU A 46 11.755 20.322 36.669 1.00 8.09 C ATOM 139 CD2 LEU A 46 11.664 18.170 35.341 1.00 5.99 C ATOM 0 H LEU A 46 13.996 17.090 38.058 1.00 12.49 H new ATOM 0 HA LEU A 46 14.288 17.173 35.443 1.00 12.96 H new ATOM 0 HB2 LEU A 46 14.129 19.356 37.257 1.00 10.69 H new ATOM 0 HB3 LEU A 46 14.013 19.524 35.711 1.00 10.69 H new ATOM 0 HG LEU A 46 12.006 18.381 37.344 1.00 9.67 H new ATOM 0 HD11 LEU A 46 10.788 20.315 36.739 1.00 8.09 H new ATOM 0 HD12 LEU A 46 12.133 20.741 37.458 1.00 8.09 H new ATOM 0 HD13 LEU A 46 12.018 20.822 35.880 1.00 8.09 H new ATOM 0 HD21 LEU A 46 10.698 18.147 35.427 1.00 5.99 H new ATOM 0 HD22 LEU A 46 11.905 18.647 34.532 1.00 5.99 H new ATOM 0 HD23 LEU A 46 12.006 17.263 35.295 1.00 5.99 H new ATOM 140 N CYS A 47 16.458 18.226 34.871 1.00 13.98 N ATOM 141 CA CYS A 47 17.821 18.635 34.579 1.00 13.99 C ATOM 142 C CYS A 47 17.667 19.857 33.689 1.00 13.06 C ATOM 143 O CYS A 47 17.545 19.742 32.469 1.00 13.85 O ATOM 144 CB CYS A 47 18.602 17.548 33.838 1.00 13.59 C ATOM 145 SG CYS A 47 20.282 18.100 33.342 1.00 17.09 S ATOM 0 H CYS A 47 15.953 18.164 34.178 1.00 13.98 H new ATOM 0 HA CYS A 47 18.317 18.811 35.394 1.00 13.99 H new ATOM 0 HB2 CYS A 47 18.677 16.765 34.405 1.00 13.59 H new ATOM 0 HB3 CYS A 47 18.107 17.280 33.048 1.00 13.59 H new ATOM 0 HG CYS A 47 21.018 17.154 33.300 1.00 17.09 H new ATOM 146 N ILE A 48 17.642 21.025 34.316 1.00 12.80 N ATOM 147 CA ILE A 48 17.491 22.280 33.596 1.00 12.70 C ATOM 148 C ILE A 48 18.843 22.778 33.096 1.00 14.37 C ATOM 149 O ILE A 48 19.765 23.012 33.884 1.00 14.67 O ATOM 150 CB ILE A 48 16.859 23.365 34.500 1.00 10.83 C ATOM 151 CG1 ILE A 48 15.512 22.871 35.041 1.00 10.19 C ATOM 152 CG2 ILE A 48 16.689 24.664 33.725 1.00 10.03 C ATOM 153 CD1 ILE A 48 14.484 22.501 33.978 1.00 7.93 C ATOM 0 H ILE A 48 17.712 21.112 35.169 1.00 12.80 H new ATOM 0 HA ILE A 48 16.906 22.114 32.840 1.00 12.70 H new ATOM 0 HB ILE A 48 17.449 23.537 35.251 1.00 10.83 H new ATOM 0 HG12 ILE A 48 15.669 22.096 35.602 1.00 10.19 H new ATOM 0 HG13 ILE A 48 15.135 23.561 35.609 1.00 10.19 H new ATOM 0 HG21 ILE A 48 16.292 25.336 34.302 1.00 10.03 H new ATOM 0 HG22 ILE A 48 17.555 24.973 33.417 1.00 10.03 H new ATOM 0 HG23 ILE A 48 16.111 24.512 32.961 1.00 10.03 H new ATOM 0 HD11 ILE A 48 13.668 22.201 34.408 1.00 7.93 H new ATOM 0 HD12 ILE A 48 14.293 23.277 33.428 1.00 7.93 H new ATOM 0 HD13 ILE A 48 14.836 21.789 33.421 1.00 7.93 H new ATOM 154 N ILE A 49 18.960 22.919 31.781 1.00 14.37 N ATOM 155 CA ILE A 49 20.192 23.409 31.188 1.00 15.06 C ATOM 156 C ILE A 49 19.970 24.800 30.590 1.00 16.75 C ATOM 157 O ILE A 49 19.175 24.974 29.663 1.00 16.54 O ATOM 158 CB ILE A 49 20.696 22.481 30.065 1.00 13.68 C ATOM 159 CG1 ILE A 49 21.013 21.097 30.627 1.00 13.91 C ATOM 160 CG2 ILE A 49 21.945 23.080 29.418 1.00 14.19 C ATOM 161 CD1 ILE A 49 21.464 20.096 29.573 1.00 8.80 C ATOM 0 H ILE A 49 18.337 22.736 31.217 1.00 14.37 H new ATOM 0 HA ILE A 49 20.855 23.439 31.895 1.00 15.06 H new ATOM 0 HB ILE A 49 20.001 22.394 29.394 1.00 13.68 H new ATOM 0 HG12 ILE A 49 21.707 21.181 31.299 1.00 13.91 H new ATOM 0 HG13 ILE A 49 20.225 20.750 31.074 1.00 13.91 H new ATOM 0 HG21 ILE A 49 22.258 22.492 28.712 1.00 14.19 H new ATOM 0 HG22 ILE A 49 21.731 23.949 29.043 1.00 14.19 H new ATOM 0 HG23 ILE A 49 22.640 23.180 30.087 1.00 14.19 H new ATOM 0 HD11 ILE A 49 21.648 19.242 29.995 1.00 8.80 H new ATOM 0 HD12 ILE A 49 20.763 19.985 28.911 1.00 8.80 H new ATOM 0 HD13 ILE A 49 22.268 20.422 29.140 1.00 8.80 H new ATOM 162 N ILE A 50 20.655 25.793 31.142 1.00 16.13 N ATOM 163 CA ILE A 50 20.553 27.145 30.621 1.00 14.49 C ATOM 164 C ILE A 50 21.831 27.364 29.828 1.00 14.90 C ATOM 165 O ILE A 50 22.913 27.502 30.397 1.00 12.93 O ATOM 166 CB ILE A 50 20.451 28.177 31.751 1.00 14.39 C ATOM 167 CG1 ILE A 50 19.192 27.898 32.577 1.00 12.68 C ATOM 168 CG2 ILE A 50 20.425 29.589 31.167 1.00 11.61 C ATOM 169 CD1 ILE A 50 19.010 28.816 33.755 1.00 14.01 C ATOM 0 H ILE A 50 21.182 25.704 31.816 1.00 16.13 H new ATOM 0 HA ILE A 50 19.756 27.252 30.079 1.00 14.49 H new ATOM 0 HB ILE A 50 21.225 28.108 32.332 1.00 14.39 H new ATOM 0 HG12 ILE A 50 18.416 27.972 32.000 1.00 12.68 H new ATOM 0 HG13 ILE A 50 19.223 26.982 32.895 1.00 12.68 H new ATOM 0 HG21 ILE A 50 20.360 30.236 31.887 1.00 11.61 H new ATOM 0 HG22 ILE A 50 21.239 29.746 30.664 1.00 11.61 H new ATOM 0 HG23 ILE A 50 19.659 29.682 30.579 1.00 11.61 H new ATOM 0 HD11 ILE A 50 18.196 28.580 34.227 1.00 14.01 H new ATOM 0 HD12 ILE A 50 19.768 28.728 34.354 1.00 14.01 H new ATOM 0 HD13 ILE A 50 18.948 29.733 33.444 1.00 14.01 H new ATOM 170 N ASN A 51 21.695 27.373 28.506 1.00 15.21 N ATOM 171 CA ASN A 51 22.829 27.547 27.609 1.00 15.62 C ATOM 172 C ASN A 51 22.862 28.948 26.999 1.00 15.96 C ATOM 173 O ASN A 51 22.163 29.227 26.024 1.00 16.84 O ATOM 174 CB ASN A 51 22.763 26.476 26.508 1.00 12.58 C ATOM 175 CG ASN A 51 23.906 26.578 25.511 1.00 14.72 C ATOM 176 OD1 ASN A 51 25.075 26.707 25.883 1.00 12.46 O ATOM 177 ND2 ASN A 51 23.571 26.501 24.230 1.00 16.02 N ATOM 0 H ASN A 51 20.941 27.278 28.104 1.00 15.21 H new ATOM 0 HA ASN A 51 23.647 27.444 28.120 1.00 15.62 H new ATOM 0 HB2 ASN A 51 22.775 25.597 26.918 1.00 12.58 H new ATOM 0 HB3 ASN A 51 21.920 26.557 26.035 1.00 12.58 H new ATOM 0 HD21 ASN A 51 24.179 26.541 23.623 1.00 16.02 H new ATOM 0 HD22 ASN A 51 22.746 26.411 24.006 1.00 16.02 H new ATOM 178 N ASN A 52 23.675 29.827 27.581 1.00 15.72 N ATOM 179 CA ASN A 52 23.806 31.199 27.089 1.00 15.39 C ATOM 180 C ASN A 52 25.016 31.366 26.180 1.00 15.70 C ATOM 181 O ASN A 52 26.155 31.387 26.647 1.00 15.80 O ATOM 182 CB ASN A 52 23.919 32.187 28.253 1.00 13.90 C ATOM 183 CG ASN A 52 22.572 32.547 28.849 1.00 15.44 C ATOM 184 OD1 ASN A 52 21.525 32.150 28.337 1.00 14.95 O ATOM 185 ND2 ASN A 52 22.593 33.316 29.932 1.00 15.27 N ATOM 0 H ASN A 52 24.163 29.648 28.266 1.00 15.72 H new ATOM 0 HA ASN A 52 23.005 31.387 26.575 1.00 15.39 H new ATOM 0 HB2 ASN A 52 24.482 31.804 28.944 1.00 13.90 H new ATOM 0 HB3 ASN A 52 24.358 32.995 27.945 1.00 13.90 H new ATOM 0 HD21 ASN A 52 21.855 33.556 30.304 1.00 15.27 H new ATOM 0 HD22 ASN A 52 23.344 33.574 30.262 1.00 15.27 H new ATOM 186 N LYS A 53 24.767 31.497 24.882 1.00 17.33 N ATOM 187 CA LYS A 53 25.846 31.666 23.920 1.00 19.68 C ATOM 188 C LYS A 53 25.952 33.097 23.375 1.00 21.29 C ATOM 189 O LYS A 53 27.036 33.685 23.364 1.00 21.45 O ATOM 190 CB LYS A 53 25.661 30.694 22.756 1.00 20.16 C ATOM 191 CG LYS A 53 26.796 30.732 21.748 1.00 24.25 C ATOM 192 CD LYS A 53 26.579 29.737 20.621 1.00 26.12 C ATOM 193 CE LYS A 53 25.265 29.990 19.900 1.00 28.58 C ATOM 194 NZ LYS A 53 25.110 29.069 18.742 1.00 29.51 N ATOM 0 H LYS A 53 23.979 31.491 24.538 1.00 17.33 H new ATOM 0 HA LYS A 53 26.671 31.479 24.394 1.00 19.68 H new ATOM 0 HB2 LYS A 53 25.579 29.793 23.106 1.00 20.16 H new ATOM 0 HB3 LYS A 53 24.828 30.899 22.302 1.00 20.16 H new ATOM 0 HG2 LYS A 53 26.873 31.626 21.380 1.00 24.25 H new ATOM 0 HG3 LYS A 53 27.634 30.536 22.196 1.00 24.25 H new ATOM 0 HD2 LYS A 53 27.313 29.797 19.989 1.00 26.12 H new ATOM 0 HD3 LYS A 53 26.585 28.835 20.978 1.00 26.12 H new ATOM 0 HE2 LYS A 53 24.525 29.869 20.516 1.00 28.58 H new ATOM 0 HE3 LYS A 53 25.232 30.910 19.594 1.00 28.58 H new ATOM 0 HZ1 LYS A 53 24.306 29.182 18.378 1.00 29.51 H new ATOM 0 HZ2 LYS A 53 25.737 29.246 18.136 1.00 29.51 H new ATOM 0 HZ3 LYS A 53 25.194 28.227 19.019 1.00 29.51 H new ATOM 195 N ASN A 54 24.824 33.654 22.936 1.00 21.90 N ATOM 196 CA ASN A 54 24.796 34.999 22.364 1.00 21.84 C ATOM 197 C ASN A 54 24.260 36.043 23.327 1.00 22.56 C ATOM 198 O ASN A 54 23.129 35.946 23.805 1.00 23.44 O ATOM 199 CB ASN A 54 23.957 34.998 21.089 1.00 21.31 C ATOM 200 CG ASN A 54 24.431 33.962 20.090 1.00 23.46 C ATOM 201 OD1 ASN A 54 25.578 33.997 19.639 1.00 24.62 O ATOM 202 ND2 ASN A 54 23.554 33.026 19.744 1.00 24.58 N ATOM 0 H ASN A 54 24.057 33.265 22.961 1.00 21.90 H new ATOM 0 HA ASN A 54 25.714 35.241 22.166 1.00 21.84 H new ATOM 0 HB2 ASN A 54 23.029 34.826 21.315 1.00 21.31 H new ATOM 0 HB3 ASN A 54 23.991 35.877 20.681 1.00 21.31 H new ATOM 0 HD21 ASN A 54 23.778 32.412 19.185 1.00 24.58 H new ATOM 0 HD22 ASN A 54 22.762 33.034 20.079 1.00 24.58 H new ATOM 203 N PHE A 55 25.082 37.049 23.599 1.00 22.80 N ATOM 204 CA PHE A 55 24.709 38.116 24.517 1.00 25.08 C ATOM 205 C PHE A 55 24.359 39.400 23.777 1.00 26.56 C ATOM 206 O PHE A 55 24.770 39.603 22.633 1.00 26.86 O ATOM 207 CB PHE A 55 25.853 38.363 25.508 1.00 24.91 C ATOM 208 CG PHE A 55 26.237 37.141 26.294 1.00 24.51 C ATOM 209 CD1 PHE A 55 26.907 36.087 25.679 1.00 24.53 C ATOM 210 CD2 PHE A 55 25.858 37.008 27.624 1.00 25.48 C ATOM 211 CE1 PHE A 55 27.187 34.919 26.373 1.00 23.64 C ATOM 212 CE2 PHE A 55 26.132 35.845 28.329 1.00 25.96 C ATOM 213 CZ PHE A 55 26.798 34.796 27.700 1.00 26.31 C ATOM 0 H PHE A 55 25.867 37.132 23.259 1.00 22.80 H new ATOM 0 HA PHE A 55 23.915 37.837 25.000 1.00 25.08 H new ATOM 0 HB2 PHE A 55 26.629 38.684 25.022 1.00 24.91 H new ATOM 0 HB3 PHE A 55 25.593 39.066 26.123 1.00 24.91 H new ATOM 0 HD1 PHE A 55 27.170 36.167 24.791 1.00 24.53 H new ATOM 0 HD2 PHE A 55 25.415 37.708 28.047 1.00 25.48 H new ATOM 0 HE1 PHE A 55 27.634 34.221 25.951 1.00 23.64 H new ATOM 0 HE2 PHE A 55 25.872 35.766 29.218 1.00 25.96 H new ATOM 0 HZ PHE A 55 26.982 34.014 28.168 1.00 26.31 H new ATOM 214 N HIS A 56 23.588 40.262 24.428 1.00 27.98 N ATOM 215 CA HIS A 56 23.192 41.520 23.816 1.00 29.18 C ATOM 216 C HIS A 56 24.418 42.395 23.621 1.00 30.58 C ATOM 217 O HIS A 56 25.248 42.517 24.516 1.00 30.95 O ATOM 218 CB HIS A 56 22.163 42.235 24.694 1.00 29.08 C ATOM 219 CG HIS A 56 20.859 41.507 24.808 1.00 29.02 C ATOM 220 ND1 HIS A 56 19.792 42.000 25.527 1.00 29.40 N ATOM 221 CD2 HIS A 56 20.456 40.316 24.307 1.00 29.65 C ATOM 222 CE1 HIS A 56 18.788 41.144 25.466 1.00 28.86 C ATOM 223 NE2 HIS A 56 19.165 40.113 24.732 1.00 30.70 N ATOM 0 H HIS A 56 23.285 40.137 25.223 1.00 27.98 H new ATOM 0 HA HIS A 56 22.786 41.342 22.953 1.00 29.18 H new ATOM 0 HB2 HIS A 56 22.535 42.356 25.581 1.00 29.08 H new ATOM 0 HB3 HIS A 56 22.000 43.120 24.332 1.00 29.08 H new ATOM 0 HD1 HIS A 56 19.781 42.749 25.950 1.00 29.40 H new ATOM 0 HD2 HIS A 56 20.959 39.742 23.775 1.00 29.65 H new ATOM 0 HE1 HIS A 56 17.957 41.249 25.871 1.00 28.86 H new ATOM 224 N LYS A 57 24.528 42.996 22.440 1.00 32.58 N ATOM 225 CA LYS A 57 25.655 43.860 22.110 1.00 33.58 C ATOM 226 C LYS A 57 25.873 44.943 23.165 1.00 33.32 C ATOM 227 O LYS A 57 26.998 45.373 23.408 1.00 33.64 O ATOM 228 CB LYS A 57 25.422 44.508 20.742 1.00 35.25 C ATOM 229 CG LYS A 57 26.538 45.444 20.297 1.00 40.59 C ATOM 230 CD LYS A 57 26.192 46.159 18.993 1.00 42.05 C ATOM 231 CE LYS A 57 27.230 47.222 18.653 1.00 42.77 C ATOM 232 NZ LYS A 57 26.890 47.967 17.408 1.00 43.93 N ATOM 0 H LYS A 57 23.951 42.914 21.808 1.00 32.58 H new ATOM 0 HA LYS A 57 26.453 43.310 22.086 1.00 33.58 H new ATOM 0 HB2 LYS A 57 25.316 43.809 20.078 1.00 35.25 H new ATOM 0 HB3 LYS A 57 24.589 45.004 20.768 1.00 35.25 H new ATOM 0 HG2 LYS A 57 26.706 46.100 20.991 1.00 40.59 H new ATOM 0 HG3 LYS A 57 27.357 44.938 20.181 1.00 40.59 H new ATOM 0 HD2 LYS A 57 26.139 45.513 18.271 1.00 42.05 H new ATOM 0 HD3 LYS A 57 25.317 46.571 19.070 1.00 42.05 H new ATOM 0 HE2 LYS A 57 27.304 47.847 19.391 1.00 42.77 H new ATOM 0 HE3 LYS A 57 28.098 46.802 18.549 1.00 42.77 H new ATOM 0 HZ1 LYS A 57 27.518 48.576 17.245 1.00 43.93 H new ATOM 0 HZ2 LYS A 57 26.844 47.399 16.725 1.00 43.93 H new ATOM 0 HZ3 LYS A 57 26.104 48.372 17.509 1.00 43.93 H new ATOM 233 N SER A 58 24.788 45.372 23.797 1.00 33.52 N ATOM 234 CA SER A 58 24.849 46.412 24.816 1.00 34.27 C ATOM 235 C SER A 58 25.630 46.009 26.065 1.00 35.02 C ATOM 236 O SER A 58 25.964 46.856 26.895 1.00 35.28 O ATOM 237 CB SER A 58 23.430 46.820 25.204 1.00 34.29 C ATOM 238 OG SER A 58 22.641 45.668 25.444 1.00 37.45 O ATOM 0 H SER A 58 23.997 45.069 23.648 1.00 33.52 H new ATOM 0 HA SER A 58 25.332 47.157 24.425 1.00 34.27 H new ATOM 0 HB2 SER A 58 23.452 47.377 25.998 1.00 34.29 H new ATOM 0 HB3 SER A 58 23.033 47.351 24.496 1.00 34.29 H new ATOM 0 HG SER A 58 21.863 45.901 25.658 1.00 37.45 H new ATOM 239 N THR A 59 25.915 44.719 26.206 1.00 35.48 N ATOM 240 CA THR A 59 26.663 44.232 27.360 1.00 35.76 C ATOM 241 C THR A 59 28.151 44.219 27.043 1.00 37.23 C ATOM 242 O THR A 59 28.989 44.147 27.944 1.00 37.48 O ATOM 243 CB THR A 59 26.253 42.797 27.747 1.00 35.07 C ATOM 244 OG1 THR A 59 26.486 41.920 26.638 1.00 33.34 O ATOM 245 CG2 THR A 59 24.787 42.743 28.147 1.00 34.62 C ATOM 0 H THR A 59 25.685 44.109 25.645 1.00 35.48 H new ATOM 0 HA THR A 59 26.466 44.829 28.098 1.00 35.76 H new ATOM 0 HB THR A 59 26.787 42.515 28.506 1.00 35.07 H new ATOM 0 HG1 THR A 59 25.863 42.002 26.080 1.00 33.34 H new ATOM 0 HG21 THR A 59 24.550 41.833 28.386 1.00 34.62 H new ATOM 0 HG22 THR A 59 24.637 43.326 28.907 1.00 34.62 H new ATOM 0 HG23 THR A 59 24.237 43.035 27.403 1.00 34.62 H new ATOM 246 N GLY A 60 28.472 44.286 25.755 1.00 37.74 N ATOM 247 CA GLY A 60 29.861 44.270 25.339 1.00 38.87 C ATOM 248 C GLY A 60 30.466 42.883 25.460 1.00 39.47 C ATOM 249 O GLY A 60 31.659 42.690 25.211 1.00 39.82 O ATOM 0 H GLY A 60 27.902 44.341 25.113 1.00 37.74 H new ATOM 0 HA2 GLY A 60 29.928 44.574 24.420 1.00 38.87 H new ATOM 0 HA3 GLY A 60 30.369 44.894 25.881 1.00 38.87 H new ATOM 250 N MET A 61 29.642 41.913 25.844 1.00 38.27 N ATOM 251 CA MET A 61 30.107 40.540 25.992 1.00 36.76 C ATOM 252 C MET A 61 30.105 39.824 24.647 1.00 35.22 C ATOM 253 O MET A 61 29.301 40.129 23.766 1.00 35.94 O ATOM 254 CB MET A 61 29.236 39.789 27.007 1.00 36.08 C ATOM 255 CG MET A 61 29.329 40.361 28.416 1.00 37.53 C ATOM 256 SD MET A 61 28.510 39.371 29.681 1.00 38.20 S ATOM 257 CE MET A 61 26.930 40.221 29.826 1.00 38.05 C ATOM 0 H MET A 61 28.809 42.030 26.024 1.00 38.27 H new ATOM 0 HA MET A 61 31.019 40.558 26.323 1.00 36.76 H new ATOM 0 HB2 MET A 61 28.312 39.816 26.714 1.00 36.08 H new ATOM 0 HB3 MET A 61 29.501 38.856 27.025 1.00 36.08 H new ATOM 0 HG2 MET A 61 30.265 40.457 28.653 1.00 37.53 H new ATOM 0 HG3 MET A 61 28.943 41.251 28.418 1.00 37.53 H new ATOM 0 HE1 MET A 61 26.316 39.676 30.343 1.00 38.05 H new ATOM 0 HE2 MET A 61 27.060 41.072 30.272 1.00 38.05 H new ATOM 0 HE3 MET A 61 26.562 40.373 28.942 1.00 38.05 H new ATOM 258 N THR A 62 31.022 38.876 24.494 1.00 33.65 N ATOM 259 CA THR A 62 31.149 38.120 23.254 1.00 32.34 C ATOM 260 C THR A 62 30.416 36.788 23.349 1.00 31.75 C ATOM 261 O THR A 62 30.026 36.356 24.436 1.00 32.01 O ATOM 262 CB THR A 62 32.632 37.852 22.931 1.00 32.04 C ATOM 263 OG1 THR A 62 33.212 37.060 23.974 1.00 31.63 O ATOM 264 CG2 THR A 62 33.396 39.164 22.828 1.00 30.79 C ATOM 0 H THR A 62 31.586 38.653 25.103 1.00 33.65 H new ATOM 0 HA THR A 62 30.753 38.653 22.547 1.00 32.34 H new ATOM 0 HB THR A 62 32.686 37.382 22.084 1.00 32.04 H new ATOM 0 HG1 THR A 62 34.020 36.912 23.798 1.00 31.63 H new ATOM 0 HG21 THR A 62 34.327 38.982 22.625 1.00 30.79 H new ATOM 0 HG22 THR A 62 33.012 39.708 22.123 1.00 30.79 H new ATOM 0 HG23 THR A 62 33.337 39.640 23.671 1.00 30.79 H new ATOM 265 N SER A 63 30.225 36.137 22.207 1.00 30.23 N ATOM 266 CA SER A 63 29.540 34.856 22.192 1.00 29.75 C ATOM 267 C SER A 63 30.486 33.764 22.689 1.00 29.35 C ATOM 268 O SER A 63 31.700 33.821 22.471 1.00 28.91 O ATOM 269 CB SER A 63 29.039 34.536 20.781 1.00 29.49 C ATOM 270 OG SER A 63 30.107 34.524 19.854 1.00 33.07 O ATOM 0 H SER A 63 30.483 36.419 21.437 1.00 30.23 H new ATOM 0 HA SER A 63 28.771 34.898 22.782 1.00 29.75 H new ATOM 0 HB2 SER A 63 28.596 33.673 20.780 1.00 29.49 H new ATOM 0 HB3 SER A 63 28.380 35.194 20.511 1.00 29.49 H new ATOM 0 HG SER A 63 29.812 34.345 19.088 1.00 33.07 H new ATOM 271 N ARG A 64 29.921 32.775 23.369 1.00 27.52 N ATOM 272 CA ARG A 64 30.705 31.681 23.917 1.00 25.83 C ATOM 273 C ARG A 64 30.685 30.485 22.972 1.00 26.48 C ATOM 274 O ARG A 64 29.930 29.533 23.172 1.00 27.29 O ATOM 275 CB ARG A 64 30.146 31.298 25.293 1.00 22.54 C ATOM 276 CG ARG A 64 30.140 32.462 26.281 1.00 18.36 C ATOM 277 CD ARG A 64 29.429 32.125 27.586 1.00 17.51 C ATOM 278 NE ARG A 64 29.966 30.916 28.208 1.00 16.62 N ATOM 279 CZ ARG A 64 29.439 29.704 28.067 1.00 14.93 C ATOM 280 NH1 ARG A 64 28.351 29.532 27.330 1.00 14.03 N ATOM 281 NH2 ARG A 64 30.012 28.659 28.649 1.00 11.38 N ATOM 0 H ARG A 64 29.077 32.720 23.525 1.00 27.52 H new ATOM 0 HA ARG A 64 31.627 31.964 24.017 1.00 25.83 H new ATOM 0 HB2 ARG A 64 29.241 30.966 25.187 1.00 22.54 H new ATOM 0 HB3 ARG A 64 30.674 30.572 25.660 1.00 22.54 H new ATOM 0 HG2 ARG A 64 31.054 32.722 26.474 1.00 18.36 H new ATOM 0 HG3 ARG A 64 29.708 33.227 25.870 1.00 18.36 H new ATOM 0 HD2 ARG A 64 29.515 32.870 28.202 1.00 17.51 H new ATOM 0 HD3 ARG A 64 28.482 32.006 27.415 1.00 17.51 H new ATOM 0 HE ARG A 64 30.669 30.994 28.697 1.00 16.62 H new ATOM 0 HH11 ARG A 64 27.984 30.206 26.941 1.00 14.03 H new ATOM 0 HH12 ARG A 64 28.012 28.747 27.240 1.00 14.03 H new ATOM 0 HH21 ARG A 64 30.725 28.765 29.118 1.00 11.38 H new ATOM 0 HH22 ARG A 64 29.671 27.875 28.557 1.00 11.38 H new ATOM 282 N SER A 65 31.516 30.535 21.937 1.00 26.05 N ATOM 283 CA SER A 65 31.563 29.444 20.974 1.00 26.58 C ATOM 284 C SER A 65 31.992 28.143 21.651 1.00 25.85 C ATOM 285 O SER A 65 32.880 28.132 22.513 1.00 23.82 O ATOM 286 CB SER A 65 32.520 29.778 19.823 1.00 26.94 C ATOM 287 OG SER A 65 33.847 29.930 20.285 1.00 30.75 O ATOM 0 H SER A 65 32.056 31.185 21.776 1.00 26.05 H new ATOM 0 HA SER A 65 30.671 29.326 20.612 1.00 26.58 H new ATOM 0 HB2 SER A 65 32.486 29.074 19.157 1.00 26.94 H new ATOM 0 HB3 SER A 65 32.232 30.595 19.387 1.00 26.94 H new ATOM 0 HG SER A 65 34.266 30.445 19.770 1.00 30.75 H new ATOM 288 N GLY A 66 31.347 27.051 21.249 1.00 24.37 N ATOM 289 CA GLY A 66 31.649 25.753 21.815 1.00 23.18 C ATOM 290 C GLY A 66 30.654 25.354 22.888 1.00 23.34 C ATOM 291 O GLY A 66 30.579 24.182 23.263 1.00 25.41 O ATOM 0 H GLY A 66 30.731 27.046 20.649 1.00 24.37 H new ATOM 0 HA2 GLY A 66 31.648 25.086 21.111 1.00 23.18 H new ATOM 0 HA3 GLY A 66 32.542 25.766 22.193 1.00 23.18 H new ATOM 292 N THR A 67 29.873 26.316 23.372 1.00 20.75 N ATOM 293 CA THR A 67 28.902 26.032 24.419 1.00 21.08 C ATOM 294 C THR A 67 27.776 25.085 23.997 1.00 21.62 C ATOM 295 O THR A 67 27.246 24.350 24.831 1.00 21.47 O ATOM 296 CB THR A 67 28.286 27.335 24.987 1.00 21.11 C ATOM 297 OG1 THR A 67 27.659 27.053 26.245 1.00 19.99 O ATOM 298 CG2 THR A 67 27.251 27.913 24.028 1.00 19.54 C ATOM 0 H THR A 67 29.891 27.134 23.108 1.00 20.75 H new ATOM 0 HA THR A 67 29.412 25.575 25.106 1.00 21.08 H new ATOM 0 HB THR A 67 28.996 27.986 25.104 1.00 21.11 H new ATOM 0 HG1 THR A 67 26.832 26.957 26.131 1.00 19.99 H new ATOM 0 HG21 THR A 67 26.880 28.726 24.404 1.00 19.54 H new ATOM 0 HG22 THR A 67 27.673 28.114 23.178 1.00 19.54 H new ATOM 0 HG23 THR A 67 26.540 27.267 23.891 1.00 19.54 H new ATOM 299 N ASP A 68 27.405 25.091 22.718 1.00 21.84 N ATOM 300 CA ASP A 68 26.343 24.199 22.255 1.00 21.34 C ATOM 301 C ASP A 68 26.806 22.755 22.348 1.00 20.71 C ATOM 302 O ASP A 68 25.999 21.842 22.534 1.00 21.86 O ATOM 303 CB ASP A 68 25.940 24.512 20.814 1.00 23.08 C ATOM 304 CG ASP A 68 25.324 25.884 20.669 1.00 24.76 C ATOM 305 OD1 ASP A 68 24.769 26.404 21.663 1.00 23.33 O ATOM 306 OD2 ASP A 68 25.385 26.435 19.552 1.00 25.60 O ATOM 0 H ASP A 68 27.748 25.595 22.111 1.00 21.84 H new ATOM 0 HA ASP A 68 25.570 24.336 22.824 1.00 21.34 H new ATOM 0 HB2 ASP A 68 26.721 24.450 20.242 1.00 23.08 H new ATOM 0 HB3 ASP A 68 25.309 23.843 20.506 1.00 23.08 H new ATOM 307 N VAL A 69 28.110 22.553 22.207 1.00 18.90 N ATOM 308 CA VAL A 69 28.681 21.219 22.317 1.00 18.52 C ATOM 309 C VAL A 69 28.495 20.774 23.771 1.00 16.95 C ATOM 310 O VAL A 69 28.156 19.624 24.040 1.00 17.57 O ATOM 311 CB VAL A 69 30.186 21.229 21.957 1.00 19.61 C ATOM 312 CG1 VAL A 69 30.771 19.835 22.095 1.00 18.76 C ATOM 313 CG2 VAL A 69 30.368 21.738 20.535 1.00 19.32 C ATOM 0 H VAL A 69 28.681 23.176 22.047 1.00 18.90 H new ATOM 0 HA VAL A 69 28.241 20.612 21.702 1.00 18.52 H new ATOM 0 HB VAL A 69 30.654 21.819 22.568 1.00 19.61 H new ATOM 0 HG11 VAL A 69 31.714 19.855 21.867 1.00 18.76 H new ATOM 0 HG12 VAL A 69 30.667 19.529 23.010 1.00 18.76 H new ATOM 0 HG13 VAL A 69 30.307 19.228 21.497 1.00 18.76 H new ATOM 0 HG21 VAL A 69 31.312 21.744 20.311 1.00 19.32 H new ATOM 0 HG22 VAL A 69 29.894 21.157 19.920 1.00 19.32 H new ATOM 0 HG23 VAL A 69 30.015 22.639 20.466 1.00 19.32 H new ATOM 314 N ASP A 70 28.707 21.701 24.704 1.00 16.00 N ATOM 315 CA ASP A 70 28.543 21.415 26.129 1.00 14.66 C ATOM 316 C ASP A 70 27.099 21.040 26.428 1.00 14.55 C ATOM 317 O ASP A 70 26.833 20.043 27.097 1.00 14.49 O ATOM 318 CB ASP A 70 28.897 22.641 26.977 1.00 11.70 C ATOM 319 CG ASP A 70 30.383 22.772 27.240 1.00 13.24 C ATOM 320 OD1 ASP A 70 31.161 21.892 26.806 1.00 12.26 O ATOM 321 OD2 ASP A 70 30.769 23.765 27.897 1.00 11.16 O ATOM 0 H ASP A 70 28.948 22.508 24.531 1.00 16.00 H new ATOM 0 HA ASP A 70 29.137 20.680 26.349 1.00 14.66 H new ATOM 0 HB2 ASP A 70 28.582 23.441 26.527 1.00 11.70 H new ATOM 0 HB3 ASP A 70 28.427 22.588 27.824 1.00 11.70 H new ATOM 322 N ALA A 71 26.176 21.859 25.930 1.00 13.62 N ATOM 323 CA ALA A 71 24.751 21.658 26.147 1.00 14.45 C ATOM 324 C ALA A 71 24.233 20.338 25.590 1.00 15.10 C ATOM 325 O ALA A 71 23.446 19.649 26.243 1.00 15.71 O ATOM 326 CB ALA A 71 23.970 22.820 25.547 1.00 15.67 C ATOM 0 H ALA A 71 26.363 22.551 25.454 1.00 13.62 H new ATOM 0 HA ALA A 71 24.617 21.622 27.107 1.00 14.45 H new ATOM 0 HB1 ALA A 71 23.021 22.682 25.694 1.00 15.67 H new ATOM 0 HB2 ALA A 71 24.245 23.648 25.970 1.00 15.67 H new ATOM 0 HB3 ALA A 71 24.146 22.870 24.594 1.00 15.67 H new ATOM 327 N ALA A 72 24.662 19.992 24.382 1.00 14.61 N ATOM 328 CA ALA A 72 24.226 18.748 23.759 1.00 15.14 C ATOM 329 C ALA A 72 24.870 17.550 24.454 1.00 15.66 C ATOM 330 O ALA A 72 24.296 16.460 24.497 1.00 15.89 O ATOM 331 CB ALA A 72 24.583 18.749 22.271 1.00 15.17 C ATOM 0 H ALA A 72 25.204 20.462 23.907 1.00 14.61 H new ATOM 0 HA ALA A 72 23.263 18.678 23.850 1.00 15.14 H new ATOM 0 HB1 ALA A 72 24.289 17.918 21.867 1.00 15.17 H new ATOM 0 HB2 ALA A 72 24.143 19.494 21.833 1.00 15.17 H new ATOM 0 HB3 ALA A 72 25.544 18.835 22.169 1.00 15.17 H new ATOM 332 N ASN A 73 26.066 17.758 24.994 1.00 15.55 N ATOM 333 CA ASN A 73 26.778 16.694 25.688 1.00 15.56 C ATOM 334 C ASN A 73 26.070 16.429 27.024 1.00 15.26 C ATOM 335 O ASN A 73 25.888 15.277 27.428 1.00 14.53 O ATOM 336 CB ASN A 73 28.235 17.109 25.931 1.00 15.20 C ATOM 337 CG ASN A 73 29.149 15.921 26.190 1.00 18.75 C ATOM 338 OD1 ASN A 73 28.688 14.816 26.487 1.00 22.08 O ATOM 339 ND2 ASN A 73 30.455 16.145 26.086 1.00 16.94 N ATOM 0 H ASN A 73 26.483 18.510 24.969 1.00 15.55 H new ATOM 0 HA ASN A 73 26.779 15.887 25.150 1.00 15.56 H new ATOM 0 HB2 ASN A 73 28.560 17.600 25.160 1.00 15.20 H new ATOM 0 HB3 ASN A 73 28.273 17.713 26.689 1.00 15.20 H new ATOM 0 HD21 ASN A 73 31.013 15.507 26.228 1.00 16.94 H new ATOM 0 HD22 ASN A 73 30.742 16.928 25.877 1.00 16.94 H new ATOM 340 N LEU A 74 25.657 17.503 27.693 1.00 14.55 N ATOM 341 CA LEU A 74 24.968 17.396 28.979 1.00 14.73 C ATOM 342 C LEU A 74 23.590 16.757 28.830 1.00 15.01 C ATOM 343 O LEU A 74 23.165 15.954 29.668 1.00 16.73 O ATOM 344 CB LEU A 74 24.815 18.782 29.608 1.00 12.69 C ATOM 345 CG LEU A 74 26.081 19.450 30.138 1.00 12.02 C ATOM 346 CD1 LEU A 74 25.855 20.958 30.278 1.00 10.22 C ATOM 347 CD2 LEU A 74 26.461 18.815 31.469 1.00 9.49 C ATOM 0 H LEU A 74 25.767 18.310 27.417 1.00 14.55 H new ATOM 0 HA LEU A 74 25.507 16.828 29.552 1.00 14.73 H new ATOM 0 HB2 LEU A 74 24.419 19.370 28.946 1.00 12.69 H new ATOM 0 HB3 LEU A 74 24.183 18.712 30.340 1.00 12.69 H new ATOM 0 HG LEU A 74 26.813 19.319 29.516 1.00 12.02 H new ATOM 0 HD11 LEU A 74 26.663 21.377 30.615 1.00 10.22 H new ATOM 0 HD12 LEU A 74 25.634 21.334 29.412 1.00 10.22 H new ATOM 0 HD13 LEU A 74 25.125 21.120 30.896 1.00 10.22 H new ATOM 0 HD21 LEU A 74 27.265 19.236 31.811 1.00 9.49 H new ATOM 0 HD22 LEU A 74 25.738 18.937 32.104 1.00 9.49 H new ATOM 0 HD23 LEU A 74 26.622 17.867 31.341 1.00 9.49 H new ATOM 348 N ARG A 75 22.890 17.129 27.766 1.00 13.95 N ATOM 349 CA ARG A 75 21.565 16.596 27.503 1.00 14.37 C ATOM 350 C ARG A 75 21.675 15.082 27.345 1.00 13.85 C ATOM 351 O ARG A 75 20.970 14.324 28.005 1.00 14.10 O ATOM 352 CB ARG A 75 21.005 17.218 26.220 1.00 16.62 C ATOM 353 CG ARG A 75 19.530 16.957 25.988 1.00 18.28 C ATOM 354 CD ARG A 75 19.114 17.330 24.573 1.00 21.85 C ATOM 355 NE ARG A 75 17.663 17.283 24.396 1.00 23.74 N ATOM 356 CZ ARG A 75 17.057 16.878 23.281 1.00 27.35 C ATOM 357 NH1 ARG A 75 17.780 16.478 22.238 1.00 27.97 N ATOM 358 NH2 ARG A 75 15.730 16.872 23.203 1.00 26.38 N ATOM 0 H ARG A 75 23.169 17.694 27.181 1.00 13.95 H new ATOM 0 HA ARG A 75 20.967 16.807 28.237 1.00 14.37 H new ATOM 0 HB2 ARG A 75 21.152 18.176 26.248 1.00 16.62 H new ATOM 0 HB3 ARG A 75 21.506 16.876 25.463 1.00 16.62 H new ATOM 0 HG2 ARG A 75 19.337 16.020 26.147 1.00 18.28 H new ATOM 0 HG3 ARG A 75 19.006 17.466 26.626 1.00 18.28 H new ATOM 0 HD2 ARG A 75 19.435 18.222 24.367 1.00 21.85 H new ATOM 0 HD3 ARG A 75 19.535 16.725 23.943 1.00 21.85 H new ATOM 0 HE ARG A 75 17.169 17.533 25.054 1.00 23.74 H new ATOM 0 HH11 ARG A 75 18.639 16.481 22.284 1.00 27.97 H new ATOM 0 HH12 ARG A 75 17.388 16.217 21.518 1.00 27.97 H new ATOM 0 HH21 ARG A 75 15.259 17.130 23.874 1.00 26.38 H new ATOM 0 HH22 ARG A 75 15.343 16.610 22.481 1.00 26.38 H new ATOM 359 N GLU A 76 22.578 14.652 26.473 1.00 12.83 N ATOM 360 CA GLU A 76 22.789 13.236 26.218 1.00 14.54 C ATOM 361 C GLU A 76 23.207 12.471 27.472 1.00 16.48 C ATOM 362 O GLU A 76 22.701 11.377 27.747 1.00 16.43 O ATOM 363 CB GLU A 76 23.857 13.061 25.136 1.00 15.45 C ATOM 364 CG GLU A 76 24.243 11.619 24.882 1.00 19.38 C ATOM 365 CD GLU A 76 23.082 10.784 24.374 1.00 22.76 C ATOM 366 OE1 GLU A 76 23.210 9.538 24.363 1.00 24.57 O ATOM 367 OE2 GLU A 76 22.049 11.370 23.980 1.00 21.35 O ATOM 0 H GLU A 76 23.085 15.173 26.013 1.00 12.83 H new ATOM 0 HA GLU A 76 21.942 12.868 25.921 1.00 14.54 H new ATOM 0 HB2 GLU A 76 23.533 13.450 24.309 1.00 15.45 H new ATOM 0 HB3 GLU A 76 24.649 13.558 25.393 1.00 15.45 H new ATOM 0 HG2 GLU A 76 24.965 11.590 24.235 1.00 19.38 H new ATOM 0 HG3 GLU A 76 24.582 11.229 25.703 1.00 19.38 H new ATOM 368 N THR A 77 24.137 13.053 28.222 1.00 16.19 N ATOM 369 CA THR A 77 24.652 12.446 29.441 1.00 15.18 C ATOM 370 C THR A 77 23.575 12.261 30.502 1.00 16.44 C ATOM 371 O THR A 77 23.439 11.182 31.086 1.00 16.93 O ATOM 372 CB THR A 77 25.779 13.305 30.032 1.00 14.72 C ATOM 373 OG1 THR A 77 26.843 13.407 29.079 1.00 15.57 O ATOM 374 CG2 THR A 77 26.309 12.692 31.317 1.00 14.17 C ATOM 0 H THR A 77 24.488 13.816 28.036 1.00 16.19 H new ATOM 0 HA THR A 77 24.987 11.571 29.191 1.00 15.18 H new ATOM 0 HB THR A 77 25.426 14.185 30.234 1.00 14.72 H new ATOM 0 HG1 THR A 77 26.663 14.009 28.521 1.00 15.57 H new ATOM 0 HG21 THR A 77 27.019 13.249 31.673 1.00 14.17 H new ATOM 0 HG22 THR A 77 25.591 12.630 31.966 1.00 14.17 H new ATOM 0 HG23 THR A 77 26.656 11.805 31.133 1.00 14.17 H new ATOM 375 N PHE A 78 22.810 13.315 30.756 1.00 16.37 N ATOM 376 CA PHE A 78 21.756 13.242 31.758 1.00 15.20 C ATOM 377 C PHE A 78 20.546 12.472 31.267 1.00 14.83 C ATOM 378 O PHE A 78 19.747 11.986 32.067 1.00 15.05 O ATOM 379 CB PHE A 78 21.374 14.653 32.219 1.00 13.33 C ATOM 380 CG PHE A 78 22.303 15.202 33.265 1.00 12.13 C ATOM 381 CD1 PHE A 78 22.217 14.764 34.582 1.00 12.44 C ATOM 382 CD2 PHE A 78 23.323 16.086 32.920 1.00 14.39 C ATOM 383 CE1 PHE A 78 23.136 15.191 35.542 1.00 13.53 C ATOM 384 CE2 PHE A 78 24.251 16.521 33.874 1.00 13.37 C ATOM 385 CZ PHE A 78 24.157 16.071 35.184 1.00 13.44 C ATOM 0 H PHE A 78 22.884 14.076 30.363 1.00 16.37 H new ATOM 0 HA PHE A 78 22.102 12.748 32.518 1.00 15.20 H new ATOM 0 HB2 PHE A 78 21.370 15.248 31.453 1.00 13.33 H new ATOM 0 HB3 PHE A 78 20.470 14.639 32.572 1.00 13.33 H new ATOM 0 HD1 PHE A 78 21.537 14.178 34.827 1.00 12.44 H new ATOM 0 HD2 PHE A 78 23.388 16.391 32.044 1.00 14.39 H new ATOM 0 HE1 PHE A 78 23.068 14.889 36.419 1.00 13.53 H new ATOM 0 HE2 PHE A 78 24.929 17.110 33.631 1.00 13.37 H new ATOM 0 HZ PHE A 78 24.773 16.355 35.820 1.00 13.44 H new ATOM 386 N ARG A 79 20.419 12.358 29.950 1.00 14.54 N ATOM 387 CA ARG A 79 19.317 11.610 29.361 1.00 16.04 C ATOM 388 C ARG A 79 19.518 10.141 29.711 1.00 16.38 C ATOM 389 O ARG A 79 18.565 9.426 29.997 1.00 17.25 O ATOM 390 CB ARG A 79 19.307 11.766 27.838 1.00 15.87 C ATOM 391 CG ARG A 79 18.315 10.851 27.130 1.00 14.69 C ATOM 392 CD ARG A 79 18.391 11.012 25.616 1.00 16.53 C ATOM 393 NE ARG A 79 19.488 10.259 25.017 1.00 15.38 N ATOM 394 CZ ARG A 79 19.479 8.940 24.834 1.00 17.32 C ATOM 395 NH1 ARG A 79 18.426 8.219 25.202 1.00 15.62 N ATOM 396 NH2 ARG A 79 20.526 8.339 24.282 1.00 14.44 N ATOM 0 H ARG A 79 20.961 12.707 29.380 1.00 14.54 H new ATOM 0 HA ARG A 79 18.474 11.943 29.706 1.00 16.04 H new ATOM 0 HB2 ARG A 79 19.098 12.687 27.617 1.00 15.87 H new ATOM 0 HB3 ARG A 79 20.198 11.588 27.498 1.00 15.87 H new ATOM 0 HG2 ARG A 79 18.497 9.928 27.368 1.00 14.69 H new ATOM 0 HG3 ARG A 79 17.415 11.050 27.433 1.00 14.69 H new ATOM 0 HD2 ARG A 79 17.553 10.722 25.222 1.00 16.53 H new ATOM 0 HD3 ARG A 79 18.495 11.952 25.401 1.00 16.53 H new ATOM 0 HE ARG A 79 20.185 10.695 24.766 1.00 15.38 H new ATOM 0 HH11 ARG A 79 17.745 8.604 25.560 1.00 15.62 H new ATOM 0 HH12 ARG A 79 18.425 7.367 25.082 1.00 15.62 H new ATOM 0 HH21 ARG A 79 21.210 8.801 24.042 1.00 14.44 H new ATOM 0 HH22 ARG A 79 20.520 7.487 24.164 1.00 14.44 H new ATOM 397 N ASN A 80 20.770 9.699 29.685 1.00 16.43 N ATOM 398 CA ASN A 80 21.085 8.312 29.996 1.00 16.40 C ATOM 399 C ASN A 80 21.025 8.016 31.489 1.00 17.16 C ATOM 400 O ASN A 80 21.086 6.853 31.894 1.00 17.17 O ATOM 401 CB ASN A 80 22.453 7.947 29.431 1.00 14.96 C ATOM 402 CG ASN A 80 22.423 7.766 27.925 1.00 18.76 C ATOM 403 OD1 ASN A 80 21.321 7.221 27.411 1.00 22.14 O flip ATOM 404 ND2 ASN A 80 23.380 8.105 27.231 1.00 16.43 N flip ATOM 0 H ASN A 80 21.451 10.187 29.490 1.00 16.43 H new ATOM 0 HA ASN A 80 20.405 7.762 29.576 1.00 16.40 H new ATOM 0 HB2 ASN A 80 23.091 8.642 29.659 1.00 14.96 H new ATOM 0 HB3 ASN A 80 22.765 7.128 29.847 1.00 14.96 H new ATOM 0 HD21 ASN A 80 24.075 8.454 27.598 1.00 16.43 H new ATOM 0 HD22 ASN A 80 23.354 7.993 26.379 1.00 16.43 H new ATOM 405 N LEU A 81 20.905 9.067 32.301 1.00 15.38 N ATOM 406 CA LEU A 81 20.797 8.911 33.750 1.00 13.93 C ATOM 407 C LEU A 81 19.317 8.953 34.108 1.00 14.59 C ATOM 408 O LEU A 81 18.939 8.886 35.284 1.00 12.26 O ATOM 409 CB LEU A 81 21.536 10.034 34.474 1.00 12.97 C ATOM 410 CG LEU A 81 23.059 9.996 34.359 1.00 12.98 C ATOM 411 CD1 LEU A 81 23.656 11.160 35.123 1.00 12.04 C ATOM 412 CD2 LEU A 81 23.574 8.679 34.906 1.00 13.94 C ATOM 0 H LEU A 81 20.884 9.883 32.030 1.00 15.38 H new ATOM 0 HA LEU A 81 21.197 8.070 34.023 1.00 13.93 H new ATOM 0 HB2 LEU A 81 21.222 10.884 34.127 1.00 12.97 H new ATOM 0 HB3 LEU A 81 21.297 10.005 35.414 1.00 12.97 H new ATOM 0 HG LEU A 81 23.320 10.071 33.428 1.00 12.98 H new ATOM 0 HD11 LEU A 81 24.623 11.134 35.049 1.00 12.04 H new ATOM 0 HD12 LEU A 81 23.326 11.994 34.753 1.00 12.04 H new ATOM 0 HD13 LEU A 81 23.402 11.099 36.057 1.00 12.04 H new ATOM 0 HD21 LEU A 81 24.541 8.654 34.833 1.00 13.94 H new ATOM 0 HD22 LEU A 81 23.318 8.593 35.838 1.00 13.94 H new ATOM 0 HD23 LEU A 81 23.193 7.946 34.397 1.00 13.94 H new ATOM 413 N LYS A 82 18.490 9.080 33.070 1.00 13.65 N ATOM 414 CA LYS A 82 17.039 9.118 33.204 1.00 14.11 C ATOM 415 C LYS A 82 16.481 10.435 33.739 1.00 14.34 C ATOM 416 O LYS A 82 15.446 10.456 34.408 1.00 13.72 O ATOM 417 CB LYS A 82 16.570 7.949 34.081 1.00 15.47 C ATOM 418 CG LYS A 82 17.162 6.611 33.658 1.00 14.58 C ATOM 419 CD LYS A 82 16.905 6.354 32.181 1.00 16.61 C ATOM 420 CE LYS A 82 17.664 5.138 31.684 1.00 18.36 C ATOM 421 NZ LYS A 82 17.312 4.840 30.268 1.00 20.34 N ATOM 0 H LYS A 82 18.763 9.147 32.257 1.00 13.65 H new ATOM 0 HA LYS A 82 16.687 9.037 32.304 1.00 14.11 H new ATOM 0 HB2 LYS A 82 16.812 8.126 35.004 1.00 15.47 H new ATOM 0 HB3 LYS A 82 15.602 7.894 34.047 1.00 15.47 H new ATOM 0 HG2 LYS A 82 18.116 6.605 33.831 1.00 14.58 H new ATOM 0 HG3 LYS A 82 16.773 5.898 34.188 1.00 14.58 H new ATOM 0 HD2 LYS A 82 15.955 6.225 32.035 1.00 16.61 H new ATOM 0 HD3 LYS A 82 17.168 7.133 31.666 1.00 16.61 H new ATOM 0 HE2 LYS A 82 18.618 5.294 31.759 1.00 18.36 H new ATOM 0 HE3 LYS A 82 17.457 4.372 32.242 1.00 18.36 H new ATOM 0 HZ1 LYS A 82 17.765 4.125 29.993 1.00 20.34 H new ATOM 0 HZ2 LYS A 82 16.439 4.679 30.207 1.00 20.34 H new ATOM 0 HZ3 LYS A 82 17.521 5.538 29.757 1.00 20.34 H new ATOM 422 N TYR A 83 17.164 11.534 33.438 1.00 13.68 N ATOM 423 CA TYR A 83 16.706 12.845 33.874 1.00 11.84 C ATOM 424 C TYR A 83 15.830 13.489 32.821 1.00 12.14 C ATOM 425 O TYR A 83 16.036 13.284 31.625 1.00 11.60 O ATOM 426 CB TYR A 83 17.883 13.780 34.149 1.00 8.86 C ATOM 427 CG TYR A 83 18.437 13.643 35.537 1.00 9.27 C ATOM 428 CD1 TYR A 83 19.431 12.708 35.829 1.00 7.65 C ATOM 429 CD2 TYR A 83 17.933 14.418 36.578 1.00 8.51 C ATOM 430 CE1 TYR A 83 19.907 12.549 37.132 1.00 10.65 C ATOM 431 CE2 TYR A 83 18.400 14.267 37.878 1.00 11.13 C ATOM 432 CZ TYR A 83 19.384 13.332 38.151 1.00 10.87 C ATOM 433 OH TYR A 83 19.830 13.179 39.443 1.00 11.03 O ATOM 0 H TYR A 83 17.894 11.541 32.983 1.00 13.68 H new ATOM 0 HA TYR A 83 16.200 12.708 34.690 1.00 11.84 H new ATOM 0 HB2 TYR A 83 18.588 13.601 33.507 1.00 8.86 H new ATOM 0 HB3 TYR A 83 17.599 14.697 34.010 1.00 8.86 H new ATOM 0 HD1 TYR A 83 19.781 12.183 35.146 1.00 7.65 H new ATOM 0 HD2 TYR A 83 17.272 15.048 36.400 1.00 8.51 H new ATOM 0 HE1 TYR A 83 20.570 11.923 37.315 1.00 10.65 H new ATOM 0 HE2 TYR A 83 18.053 14.792 38.562 1.00 11.13 H new ATOM 0 HH TYR A 83 19.243 13.455 39.977 1.00 11.03 H new ATOM 434 N GLU A 84 14.845 14.259 33.276 1.00 13.19 N ATOM 435 CA GLU A 84 13.958 14.981 32.374 1.00 13.23 C ATOM 436 C GLU A 84 14.721 16.258 32.030 1.00 13.13 C ATOM 437 O GLU A 84 14.674 17.234 32.778 1.00 14.15 O ATOM 438 CB GLU A 84 12.645 15.347 33.068 1.00 13.03 C ATOM 439 CG GLU A 84 11.651 16.040 32.145 1.00 15.67 C ATOM 440 CD GLU A 84 10.436 16.590 32.875 1.00 17.90 C ATOM 441 OE1 GLU A 84 9.810 15.841 33.651 1.00 17.76 O ATOM 442 OE2 GLU A 84 10.100 17.774 32.663 1.00 20.16 O ATOM 0 H GLU A 84 14.674 14.376 34.111 1.00 13.19 H new ATOM 0 HA GLU A 84 13.728 14.449 31.596 1.00 13.23 H new ATOM 0 HB2 GLU A 84 12.239 14.541 33.424 1.00 13.03 H new ATOM 0 HB3 GLU A 84 12.835 15.926 33.822 1.00 13.03 H new ATOM 0 HG2 GLU A 84 12.099 16.766 31.684 1.00 15.67 H new ATOM 0 HG3 GLU A 84 11.356 15.412 31.467 1.00 15.67 H new ATOM 443 N VAL A 85 15.430 16.236 30.906 1.00 12.58 N ATOM 444 CA VAL A 85 16.230 17.372 30.466 1.00 13.88 C ATOM 445 C VAL A 85 15.439 18.470 29.760 1.00 13.98 C ATOM 446 O VAL A 85 14.657 18.201 28.856 1.00 14.99 O ATOM 447 CB VAL A 85 17.361 16.901 29.515 1.00 14.80 C ATOM 448 CG1 VAL A 85 18.170 18.088 29.023 1.00 16.33 C ATOM 449 CG2 VAL A 85 18.259 15.913 30.232 1.00 15.65 C ATOM 0 H VAL A 85 15.460 15.559 30.376 1.00 12.58 H new ATOM 0 HA VAL A 85 16.587 17.756 31.282 1.00 13.88 H new ATOM 0 HB VAL A 85 16.962 16.464 28.747 1.00 14.80 H new ATOM 0 HG11 VAL A 85 18.872 17.778 28.430 1.00 16.33 H new ATOM 0 HG12 VAL A 85 17.589 18.699 28.543 1.00 16.33 H new ATOM 0 HG13 VAL A 85 18.566 18.546 29.781 1.00 16.33 H new ATOM 0 HG21 VAL A 85 18.964 15.622 29.633 1.00 15.65 H new ATOM 0 HG22 VAL A 85 18.652 16.338 31.010 1.00 15.65 H new ATOM 0 HG23 VAL A 85 17.737 15.145 30.513 1.00 15.65 H new ATOM 450 N ARG A 86 15.652 19.710 30.188 1.00 13.33 N ATOM 451 CA ARG A 86 15.001 20.863 29.581 1.00 12.77 C ATOM 452 C ARG A 86 16.088 21.870 29.262 1.00 13.94 C ATOM 453 O ARG A 86 16.757 22.383 30.157 1.00 14.35 O ATOM 454 CB ARG A 86 13.988 21.501 30.530 1.00 10.23 C ATOM 455 CG ARG A 86 12.843 20.588 30.918 1.00 12.65 C ATOM 456 CD ARG A 86 11.813 21.322 31.754 1.00 10.73 C ATOM 457 NE ARG A 86 10.896 20.396 32.410 1.00 11.44 N ATOM 458 CZ ARG A 86 10.007 20.750 33.333 1.00 10.34 C ATOM 459 NH1 ARG A 86 9.904 22.018 33.714 1.00 6.81 N ATOM 460 NH2 ARG A 86 9.232 19.831 33.889 1.00 8.28 N ATOM 0 H ARG A 86 16.179 19.906 30.839 1.00 13.33 H new ATOM 0 HA ARG A 86 14.520 20.584 28.786 1.00 12.77 H new ATOM 0 HB2 ARG A 86 14.448 21.786 31.335 1.00 10.23 H new ATOM 0 HB3 ARG A 86 13.626 22.298 30.113 1.00 10.23 H new ATOM 0 HG2 ARG A 86 12.422 20.236 30.118 1.00 12.65 H new ATOM 0 HG3 ARG A 86 13.186 19.829 31.416 1.00 12.65 H new ATOM 0 HD2 ARG A 86 12.263 21.861 32.423 1.00 10.73 H new ATOM 0 HD3 ARG A 86 11.311 21.930 31.190 1.00 10.73 H new ATOM 0 HE ARG A 86 10.933 19.567 32.185 1.00 11.44 H new ATOM 0 HH11 ARG A 86 10.414 22.615 33.363 1.00 6.81 H new ATOM 0 HH12 ARG A 86 9.327 22.242 34.311 1.00 6.81 H new ATOM 0 HH21 ARG A 86 9.304 19.007 33.653 1.00 8.28 H new ATOM 0 HH22 ARG A 86 8.656 20.058 34.486 1.00 8.28 H new ATOM 461 N ASN A 87 16.268 22.150 27.983 1.00 16.52 N ATOM 462 CA ASN A 87 17.286 23.093 27.568 1.00 20.89 C ATOM 463 C ASN A 87 16.699 24.459 27.244 1.00 22.44 C ATOM 464 O ASN A 87 15.624 24.563 26.651 1.00 25.28 O ATOM 465 CB ASN A 87 18.014 22.568 26.339 1.00 24.29 C ATOM 466 CG ASN A 87 19.191 23.433 25.955 1.00 28.97 C ATOM 467 OD1 ASN A 87 20.261 23.336 26.550 1.00 32.38 O ATOM 468 ND2 ASN A 87 18.998 24.298 24.964 1.00 31.13 N ATOM 0 H ASN A 87 15.812 21.805 27.341 1.00 16.52 H new ATOM 0 HA ASN A 87 17.903 23.192 28.310 1.00 20.89 H new ATOM 0 HB2 ASN A 87 18.322 21.664 26.510 1.00 24.29 H new ATOM 0 HB3 ASN A 87 17.394 22.520 25.594 1.00 24.29 H new ATOM 0 HD21 ASN A 87 19.637 24.818 24.717 1.00 31.13 H new ATOM 0 HD22 ASN A 87 18.234 24.338 24.570 1.00 31.13 H new ATOM 469 N LYS A 88 17.410 25.504 27.649 1.00 22.02 N ATOM 470 CA LYS A 88 17.000 26.873 27.379 1.00 23.35 C ATOM 471 C LYS A 88 18.216 27.611 26.840 1.00 23.46 C ATOM 472 O LYS A 88 19.298 27.560 27.431 1.00 23.95 O ATOM 473 CB LYS A 88 16.500 27.558 28.653 1.00 25.49 C ATOM 474 CG LYS A 88 15.079 27.192 29.040 1.00 29.35 C ATOM 475 CD LYS A 88 14.100 27.592 27.950 1.00 32.06 C ATOM 476 CE LYS A 88 12.664 27.250 28.330 1.00 36.39 C ATOM 477 NZ LYS A 88 11.698 27.574 27.232 1.00 37.60 N ATOM 0 H LYS A 88 18.146 25.438 28.089 1.00 22.02 H new ATOM 0 HA LYS A 88 16.272 26.881 26.738 1.00 23.35 H new ATOM 0 HB2 LYS A 88 17.093 27.329 29.385 1.00 25.49 H new ATOM 0 HB3 LYS A 88 16.555 28.519 28.534 1.00 25.49 H new ATOM 0 HG2 LYS A 88 15.019 26.237 29.199 1.00 29.35 H new ATOM 0 HG3 LYS A 88 14.842 27.634 29.871 1.00 29.35 H new ATOM 0 HD2 LYS A 88 14.173 28.545 27.783 1.00 32.06 H new ATOM 0 HD3 LYS A 88 14.333 27.140 27.124 1.00 32.06 H new ATOM 0 HE2 LYS A 88 12.604 26.306 28.544 1.00 36.39 H new ATOM 0 HE3 LYS A 88 12.417 27.739 29.131 1.00 36.39 H new ATOM 0 HZ1 LYS A 88 10.873 27.361 27.490 1.00 37.60 H new ATOM 0 HZ2 LYS A 88 11.736 28.444 27.050 1.00 37.60 H new ATOM 0 HZ3 LYS A 88 11.910 27.109 26.503 1.00 37.60 H new ATOM 478 N ASN A 89 18.043 28.289 25.713 1.00 22.10 N ATOM 479 CA ASN A 89 19.144 29.019 25.110 1.00 22.16 C ATOM 480 C ASN A 89 18.982 30.528 25.167 1.00 21.68 C ATOM 481 O ASN A 89 17.871 31.051 25.059 1.00 21.06 O ATOM 482 CB ASN A 89 19.327 28.591 23.655 1.00 21.72 C ATOM 483 CG ASN A 89 19.768 27.155 23.528 1.00 23.43 C ATOM 484 OD1 ASN A 89 20.761 26.744 24.125 1.00 25.39 O ATOM 485 ND2 ASN A 89 19.035 26.380 22.746 1.00 27.18 N ATOM 0 H ASN A 89 17.299 28.338 25.284 1.00 22.10 H new ATOM 0 HA ASN A 89 19.928 28.797 25.636 1.00 22.16 H new ATOM 0 HB2 ASN A 89 18.492 28.713 23.177 1.00 21.72 H new ATOM 0 HB3 ASN A 89 19.983 29.167 23.231 1.00 21.72 H new ATOM 0 HD21 ASN A 89 19.247 25.553 22.639 1.00 27.18 H new ATOM 0 HD22 ASN A 89 18.347 26.703 22.344 1.00 27.18 H new ATOM 486 N ASP A 90 20.109 31.210 25.349 1.00 21.12 N ATOM 487 CA ASP A 90 20.162 32.665 25.389 1.00 21.70 C ATOM 488 C ASP A 90 19.019 33.307 26.162 1.00 20.76 C ATOM 489 O ASP A 90 18.157 33.960 25.575 1.00 22.75 O ATOM 490 CB ASP A 90 20.188 33.210 23.954 1.00 20.89 C ATOM 491 CG ASP A 90 21.403 32.733 23.171 1.00 22.40 C ATOM 492 OD1 ASP A 90 21.411 32.856 21.929 1.00 23.89 O ATOM 493 OD2 ASP A 90 22.359 32.239 23.798 1.00 22.79 O ATOM 0 H ASP A 90 20.875 30.833 25.454 1.00 21.12 H new ATOM 0 HA ASP A 90 20.973 32.899 25.867 1.00 21.70 H new ATOM 0 HB2 ASP A 90 19.381 32.935 23.492 1.00 20.89 H new ATOM 0 HB3 ASP A 90 20.184 34.180 23.979 1.00 20.89 H new ATOM 494 N LEU A 91 19.013 33.125 27.477 1.00 20.43 N ATOM 495 CA LEU A 91 17.975 33.711 28.314 1.00 18.67 C ATOM 496 C LEU A 91 18.474 34.994 28.955 1.00 19.86 C ATOM 497 O LEU A 91 19.663 35.128 29.253 1.00 20.42 O ATOM 498 CB LEU A 91 17.555 32.747 29.426 1.00 17.18 C ATOM 499 CG LEU A 91 16.904 31.408 29.081 1.00 17.52 C ATOM 500 CD1 LEU A 91 16.414 30.763 30.371 1.00 15.23 C ATOM 501 CD2 LEU A 91 15.744 31.609 28.127 1.00 17.39 C ATOM 0 H LEU A 91 19.601 32.665 27.904 1.00 20.43 H new ATOM 0 HA LEU A 91 17.213 33.897 27.744 1.00 18.67 H new ATOM 0 HB2 LEU A 91 18.346 32.554 29.953 1.00 17.18 H new ATOM 0 HB3 LEU A 91 16.939 33.225 30.003 1.00 17.18 H new ATOM 0 HG LEU A 91 17.553 30.833 28.646 1.00 17.52 H new ATOM 0 HD11 LEU A 91 15.997 29.911 30.169 1.00 15.23 H new ATOM 0 HD12 LEU A 91 17.165 30.622 30.968 1.00 15.23 H new ATOM 0 HD13 LEU A 91 15.767 31.345 30.799 1.00 15.23 H new ATOM 0 HD21 LEU A 91 15.343 30.750 27.919 1.00 17.39 H new ATOM 0 HD22 LEU A 91 15.081 32.183 28.540 1.00 17.39 H new ATOM 0 HD23 LEU A 91 16.065 32.022 27.310 1.00 17.39 H new ATOM 502 N THR A 92 17.560 35.937 29.160 1.00 19.55 N ATOM 503 CA THR A 92 17.894 37.201 29.795 1.00 21.00 C ATOM 504 C THR A 92 17.891 36.964 31.305 1.00 22.18 C ATOM 505 O THR A 92 17.418 35.927 31.775 1.00 20.84 O ATOM 506 CB THR A 92 16.849 38.287 29.470 1.00 21.25 C ATOM 507 OG1 THR A 92 15.547 37.823 29.854 1.00 21.96 O ATOM 508 CG2 THR A 92 16.854 38.608 27.986 1.00 20.75 C ATOM 0 H THR A 92 16.733 35.861 28.935 1.00 19.55 H new ATOM 0 HA THR A 92 18.757 37.505 29.472 1.00 21.00 H new ATOM 0 HB THR A 92 17.072 39.092 29.962 1.00 21.25 H new ATOM 0 HG1 THR A 92 14.962 38.228 29.408 1.00 21.96 H new ATOM 0 HG21 THR A 92 16.192 39.292 27.800 1.00 20.75 H new ATOM 0 HG22 THR A 92 17.732 38.930 27.727 1.00 20.75 H new ATOM 0 HG23 THR A 92 16.642 37.808 27.481 1.00 20.75 H new ATOM 509 N ARG A 93 18.415 37.921 32.062 1.00 22.77 N ATOM 510 CA ARG A 93 18.447 37.791 33.509 1.00 23.37 C ATOM 511 C ARG A 93 17.033 37.564 34.041 1.00 23.46 C ATOM 512 O ARG A 93 16.834 36.759 34.950 1.00 24.24 O ATOM 513 CB ARG A 93 19.064 39.044 34.134 1.00 25.15 C ATOM 514 CG ARG A 93 18.346 40.332 33.778 1.00 31.14 C ATOM 515 CD ARG A 93 19.195 41.558 34.092 1.00 34.82 C ATOM 516 NE ARG A 93 19.562 41.632 35.501 1.00 39.65 N ATOM 517 CZ ARG A 93 20.229 42.643 36.047 1.00 42.12 C ATOM 518 NH1 ARG A 93 20.605 43.672 35.295 1.00 43.84 N ATOM 519 NH2 ARG A 93 20.520 42.626 37.345 1.00 42.27 N ATOM 0 H ARG A 93 18.755 38.650 31.757 1.00 22.77 H new ATOM 0 HA ARG A 93 18.994 37.027 33.749 1.00 23.37 H new ATOM 0 HB2 ARG A 93 19.069 38.944 35.099 1.00 25.15 H new ATOM 0 HB3 ARG A 93 19.989 39.112 33.852 1.00 25.15 H new ATOM 0 HG2 ARG A 93 18.121 40.327 32.834 1.00 31.14 H new ATOM 0 HG3 ARG A 93 17.511 40.383 34.268 1.00 31.14 H new ATOM 0 HD2 ARG A 93 20.000 41.538 33.551 1.00 34.82 H new ATOM 0 HD3 ARG A 93 18.707 42.359 33.845 1.00 34.82 H new ATOM 0 HE ARG A 93 19.332 40.979 36.012 1.00 39.65 H new ATOM 0 HH11 ARG A 93 20.417 43.683 34.456 1.00 43.84 H new ATOM 0 HH12 ARG A 93 21.037 44.327 35.647 1.00 43.84 H new ATOM 0 HH21 ARG A 93 20.276 41.960 37.832 1.00 42.27 H new ATOM 0 HH22 ARG A 93 20.952 43.281 37.697 1.00 42.27 H new ATOM 520 N GLU A 94 16.050 38.260 33.469 1.00 22.36 N ATOM 521 CA GLU A 94 14.662 38.105 33.908 1.00 22.58 C ATOM 522 C GLU A 94 14.129 36.709 33.582 1.00 21.78 C ATOM 523 O GLU A 94 13.509 36.059 34.422 1.00 21.73 O ATOM 524 CB GLU A 94 13.745 39.148 33.248 1.00 22.84 C ATOM 525 CG GLU A 94 14.009 40.604 33.623 1.00 24.83 C ATOM 526 CD GLU A 94 15.244 41.183 32.948 1.00 28.44 C ATOM 527 OE1 GLU A 94 15.684 40.626 31.915 1.00 28.16 O ATOM 528 OE2 GLU A 94 15.767 42.205 33.445 1.00 29.44 O ATOM 0 H GLU A 94 16.164 38.824 32.829 1.00 22.36 H new ATOM 0 HA GLU A 94 14.659 38.236 34.869 1.00 22.58 H new ATOM 0 HB2 GLU A 94 13.826 39.061 32.285 1.00 22.84 H new ATOM 0 HB3 GLU A 94 12.826 38.935 33.476 1.00 22.84 H new ATOM 0 HG2 GLU A 94 13.236 41.139 33.383 1.00 24.83 H new ATOM 0 HG3 GLU A 94 14.113 40.670 34.585 1.00 24.83 H new ATOM 529 N GLU A 95 14.364 36.254 32.356 1.00 20.01 N ATOM 530 CA GLU A 95 13.898 34.939 31.943 1.00 20.67 C ATOM 531 C GLU A 95 14.517 33.853 32.829 1.00 20.16 C ATOM 532 O GLU A 95 13.868 32.854 33.145 1.00 19.87 O ATOM 533 CB GLU A 95 14.247 34.692 30.470 1.00 21.30 C ATOM 534 CG GLU A 95 13.526 35.617 29.489 1.00 21.79 C ATOM 535 CD GLU A 95 14.051 35.493 28.057 1.00 25.15 C ATOM 536 OE1 GLU A 95 15.270 35.668 27.848 1.00 25.58 O ATOM 537 OE2 GLU A 95 13.246 35.228 27.137 1.00 25.80 O ATOM 0 H GLU A 95 14.791 36.691 31.750 1.00 20.01 H new ATOM 0 HA GLU A 95 12.934 34.905 32.043 1.00 20.67 H new ATOM 0 HB2 GLU A 95 15.204 34.797 30.353 1.00 21.30 H new ATOM 0 HB3 GLU A 95 14.033 33.772 30.248 1.00 21.30 H new ATOM 0 HG2 GLU A 95 12.577 35.415 29.499 1.00 21.79 H new ATOM 0 HG3 GLU A 95 13.624 36.535 29.786 1.00 21.79 H new ATOM 538 N ILE A 96 15.772 34.053 33.228 1.00 18.71 N ATOM 539 CA ILE A 96 16.453 33.089 34.084 1.00 17.00 C ATOM 540 C ILE A 96 15.724 33.005 35.417 1.00 16.93 C ATOM 541 O ILE A 96 15.410 31.917 35.901 1.00 15.40 O ATOM 542 CB ILE A 96 17.927 33.493 34.342 1.00 15.29 C ATOM 543 CG1 ILE A 96 18.768 33.212 33.098 1.00 12.69 C ATOM 544 CG2 ILE A 96 18.480 32.733 35.538 1.00 13.36 C ATOM 545 CD1 ILE A 96 20.205 33.636 33.228 1.00 11.22 C ATOM 0 H ILE A 96 16.244 34.739 33.014 1.00 18.71 H new ATOM 0 HA ILE A 96 16.448 32.230 33.633 1.00 17.00 H new ATOM 0 HB ILE A 96 17.964 34.442 34.538 1.00 15.29 H new ATOM 0 HG12 ILE A 96 18.736 32.262 32.904 1.00 12.69 H new ATOM 0 HG13 ILE A 96 18.372 33.670 32.340 1.00 12.69 H new ATOM 0 HG21 ILE A 96 19.402 32.994 35.689 1.00 13.36 H new ATOM 0 HG22 ILE A 96 17.952 32.940 36.325 1.00 13.36 H new ATOM 0 HG23 ILE A 96 18.439 31.780 35.363 1.00 13.36 H new ATOM 0 HD11 ILE A 96 20.679 33.430 32.407 1.00 11.22 H new ATOM 0 HD12 ILE A 96 20.247 34.591 33.394 1.00 11.22 H new ATOM 0 HD13 ILE A 96 20.617 33.161 33.967 1.00 11.22 H new ATOM 546 N VAL A 97 15.449 34.164 35.999 1.00 16.15 N ATOM 547 CA VAL A 97 14.754 34.225 37.271 1.00 17.91 C ATOM 548 C VAL A 97 13.345 33.640 37.172 1.00 17.99 C ATOM 549 O VAL A 97 12.892 32.951 38.083 1.00 21.06 O ATOM 550 CB VAL A 97 14.681 35.691 37.778 1.00 18.66 C ATOM 551 CG1 VAL A 97 13.807 35.785 39.024 1.00 15.41 C ATOM 552 CG2 VAL A 97 16.087 36.192 38.078 1.00 18.11 C ATOM 0 H VAL A 97 15.659 34.930 35.670 1.00 16.15 H new ATOM 0 HA VAL A 97 15.258 33.690 37.904 1.00 17.91 H new ATOM 0 HB VAL A 97 14.283 36.245 37.089 1.00 18.66 H new ATOM 0 HG11 VAL A 97 13.773 36.706 39.327 1.00 15.41 H new ATOM 0 HG12 VAL A 97 12.910 35.480 38.814 1.00 15.41 H new ATOM 0 HG13 VAL A 97 14.181 35.229 39.725 1.00 15.41 H new ATOM 0 HG21 VAL A 97 16.044 37.108 38.395 1.00 18.11 H new ATOM 0 HG22 VAL A 97 16.491 35.633 38.760 1.00 18.11 H new ATOM 0 HG23 VAL A 97 16.623 36.155 37.271 1.00 18.11 H new ATOM 553 N GLU A 98 12.657 33.906 36.067 1.00 18.36 N ATOM 554 CA GLU A 98 11.298 33.405 35.876 1.00 18.61 C ATOM 555 C GLU A 98 11.296 31.889 35.696 1.00 17.33 C ATOM 556 O GLU A 98 10.401 31.198 36.179 1.00 15.99 O ATOM 557 CB GLU A 98 10.651 34.063 34.652 1.00 21.63 C ATOM 558 CG GLU A 98 9.147 33.828 34.544 1.00 28.13 C ATOM 559 CD GLU A 98 8.583 34.171 33.170 1.00 34.03 C ATOM 560 OE1 GLU A 98 7.340 34.200 33.033 1.00 37.55 O ATOM 561 OE2 GLU A 98 9.374 34.401 32.226 1.00 36.08 O ATOM 0 H GLU A 98 12.959 34.376 35.413 1.00 18.36 H new ATOM 0 HA GLU A 98 10.786 33.628 36.669 1.00 18.61 H new ATOM 0 HB2 GLU A 98 10.818 35.018 34.683 1.00 21.63 H new ATOM 0 HB3 GLU A 98 11.080 33.726 33.850 1.00 21.63 H new ATOM 0 HG2 GLU A 98 8.956 32.898 34.743 1.00 28.13 H new ATOM 0 HG3 GLU A 98 8.693 34.361 35.216 1.00 28.13 H new ATOM 562 N LEU A 99 12.300 31.382 34.987 1.00 17.08 N ATOM 563 CA LEU A 99 12.424 29.952 34.744 1.00 17.30 C ATOM 564 C LEU A 99 12.638 29.232 36.067 1.00 19.01 C ATOM 565 O LEU A 99 11.911 28.296 36.400 1.00 20.10 O ATOM 566 CB LEU A 99 13.609 29.668 33.815 1.00 16.52 C ATOM 567 CG LEU A 99 13.919 28.193 33.532 1.00 16.70 C ATOM 568 CD1 LEU A 99 12.742 27.551 32.828 1.00 17.39 C ATOM 569 CD2 LEU A 99 15.165 28.073 32.676 1.00 14.64 C ATOM 0 H LEU A 99 12.925 31.856 34.635 1.00 17.08 H new ATOM 0 HA LEU A 99 11.611 29.634 34.322 1.00 17.30 H new ATOM 0 HB2 LEU A 99 13.444 30.111 32.968 1.00 16.52 H new ATOM 0 HB3 LEU A 99 14.401 30.076 34.199 1.00 16.52 H new ATOM 0 HG LEU A 99 14.076 27.736 34.373 1.00 16.70 H new ATOM 0 HD11 LEU A 99 12.941 26.618 32.650 1.00 17.39 H new ATOM 0 HD12 LEU A 99 11.955 27.612 33.392 1.00 17.39 H new ATOM 0 HD13 LEU A 99 12.575 28.011 31.990 1.00 17.39 H new ATOM 0 HD21 LEU A 99 15.351 27.137 32.504 1.00 14.64 H new ATOM 0 HD22 LEU A 99 15.025 28.534 31.834 1.00 14.64 H new ATOM 0 HD23 LEU A 99 15.917 28.471 33.141 1.00 14.64 H new ATOM 570 N MET A 100 13.640 29.682 36.816 1.00 18.87 N ATOM 571 CA MET A 100 13.965 29.084 38.098 1.00 19.77 C ATOM 572 C MET A 100 12.802 29.166 39.077 1.00 20.51 C ATOM 573 O MET A 100 12.534 28.217 39.811 1.00 21.54 O ATOM 574 CB MET A 100 15.209 29.751 38.693 1.00 19.45 C ATOM 575 CG MET A 100 16.475 29.486 37.903 1.00 20.98 C ATOM 576 SD MET A 100 16.761 27.715 37.638 1.00 28.74 S ATOM 577 CE MET A 100 16.304 27.536 35.946 1.00 23.60 C ATOM 0 H MET A 100 14.147 30.340 36.593 1.00 18.87 H new ATOM 0 HA MET A 100 14.148 28.144 37.943 1.00 19.77 H new ATOM 0 HB2 MET A 100 15.061 30.708 38.742 1.00 19.45 H new ATOM 0 HB3 MET A 100 15.332 29.436 39.602 1.00 19.45 H new ATOM 0 HG2 MET A 100 16.418 29.935 37.045 1.00 20.98 H new ATOM 0 HG3 MET A 100 17.233 29.867 38.373 1.00 20.98 H new ATOM 0 HE1 MET A 100 15.541 26.941 35.878 1.00 23.60 H new ATOM 0 HE2 MET A 100 16.070 28.403 35.580 1.00 23.60 H new ATOM 0 HE3 MET A 100 17.049 27.165 35.447 1.00 23.60 H new ATOM 578 N ARG A 101 12.105 30.295 39.094 1.00 20.74 N ATOM 579 CA ARG A 101 10.972 30.432 39.996 1.00 21.37 C ATOM 580 C ARG A 101 9.873 29.443 39.592 1.00 20.40 C ATOM 581 O ARG A 101 9.366 28.693 40.429 1.00 18.60 O ATOM 582 CB ARG A 101 10.448 31.870 39.969 1.00 23.13 C ATOM 583 CG ARG A 101 9.247 32.138 40.880 1.00 26.00 C ATOM 584 CD ARG A 101 9.157 33.626 41.210 1.00 29.16 C ATOM 585 NE ARG A 101 9.341 34.447 40.016 1.00 35.35 N ATOM 586 CZ ARG A 101 9.837 35.682 40.017 1.00 36.87 C ATOM 587 NH1 ARG A 101 10.203 36.257 41.158 1.00 36.53 N ATOM 588 NH2 ARG A 101 9.988 36.338 38.870 1.00 37.22 N ATOM 0 H ARG A 101 12.267 30.981 38.601 1.00 20.74 H new ATOM 0 HA ARG A 101 11.254 30.231 40.902 1.00 21.37 H new ATOM 0 HB2 ARG A 101 11.169 32.467 40.223 1.00 23.13 H new ATOM 0 HB3 ARG A 101 10.202 32.093 39.058 1.00 23.13 H new ATOM 0 HG2 ARG A 101 8.431 31.847 40.444 1.00 26.00 H new ATOM 0 HG3 ARG A 101 9.332 31.623 41.698 1.00 26.00 H new ATOM 0 HD2 ARG A 101 8.294 33.819 41.608 1.00 29.16 H new ATOM 0 HD3 ARG A 101 9.831 33.855 41.869 1.00 29.16 H new ATOM 0 HE ARG A 101 9.113 34.109 39.259 1.00 35.35 H new ATOM 0 HH11 ARG A 101 10.120 35.831 41.900 1.00 36.53 H new ATOM 0 HH12 ARG A 101 10.523 37.055 41.154 1.00 36.53 H new ATOM 0 HH21 ARG A 101 9.765 35.964 38.128 1.00 37.22 H new ATOM 0 HH22 ARG A 101 10.308 37.136 38.870 1.00 37.22 H new ATOM 589 N ASP A 102 9.523 29.429 38.308 1.00 19.37 N ATOM 590 CA ASP A 102 8.488 28.525 37.816 1.00 20.88 C ATOM 591 C ASP A 102 8.802 27.071 38.151 1.00 20.66 C ATOM 592 O ASP A 102 7.970 26.367 38.721 1.00 19.83 O ATOM 593 CB ASP A 102 8.314 28.674 36.300 1.00 22.50 C ATOM 594 CG ASP A 102 7.618 29.966 35.916 1.00 24.76 C ATOM 595 OD1 ASP A 102 7.442 30.219 34.704 1.00 26.30 O ATOM 596 OD2 ASP A 102 7.242 30.731 36.826 1.00 28.92 O ATOM 0 H ASP A 102 9.873 29.935 37.707 1.00 19.37 H new ATOM 0 HA ASP A 102 7.662 28.769 38.261 1.00 20.88 H new ATOM 0 HB2 ASP A 102 9.184 28.641 35.873 1.00 22.50 H new ATOM 0 HB3 ASP A 102 7.803 27.922 35.961 1.00 22.50 H new ATOM 597 N VAL A 103 10.004 26.627 37.800 1.00 19.92 N ATOM 598 CA VAL A 103 10.420 25.256 38.063 1.00 21.69 C ATOM 599 C VAL A 103 10.397 24.921 39.554 1.00 22.63 C ATOM 600 O VAL A 103 9.952 23.840 39.945 1.00 22.24 O ATOM 601 CB VAL A 103 11.844 24.989 37.513 1.00 22.90 C ATOM 602 CG1 VAL A 103 12.342 23.623 37.974 1.00 23.82 C ATOM 603 CG2 VAL A 103 11.833 25.052 35.995 1.00 22.00 C ATOM 0 H VAL A 103 10.597 27.109 37.405 1.00 19.92 H new ATOM 0 HA VAL A 103 9.780 24.687 37.607 1.00 21.69 H new ATOM 0 HB VAL A 103 12.443 25.671 37.855 1.00 22.90 H new ATOM 0 HG11 VAL A 103 13.233 23.468 37.624 1.00 23.82 H new ATOM 0 HG12 VAL A 103 12.367 23.598 38.943 1.00 23.82 H new ATOM 0 HG13 VAL A 103 11.743 22.933 37.649 1.00 23.82 H new ATOM 0 HG21 VAL A 103 12.727 24.884 35.657 1.00 22.00 H new ATOM 0 HG22 VAL A 103 11.225 24.381 35.647 1.00 22.00 H new ATOM 0 HG23 VAL A 103 11.540 25.932 35.710 1.00 22.00 H new ATOM 604 N SER A 104 10.877 25.845 40.383 1.00 22.64 N ATOM 605 CA SER A 104 10.913 25.627 41.827 1.00 22.22 C ATOM 606 C SER A 104 9.509 25.444 42.384 1.00 23.34 C ATOM 607 O SER A 104 9.321 24.803 43.419 1.00 23.29 O ATOM 608 CB SER A 104 11.574 26.807 42.539 1.00 21.97 C ATOM 609 OG SER A 104 10.691 27.913 42.603 1.00 21.24 O ATOM 0 H SER A 104 11.187 26.606 40.129 1.00 22.64 H new ATOM 0 HA SER A 104 11.431 24.822 41.984 1.00 22.22 H new ATOM 0 HB2 SER A 104 11.836 26.544 43.435 1.00 21.97 H new ATOM 0 HB3 SER A 104 12.384 27.061 42.070 1.00 21.97 H new ATOM 0 HG SER A 104 10.317 28.017 41.858 1.00 21.24 H new ATOM 610 N LYS A 105 8.523 26.014 41.703 1.00 23.79 N ATOM 611 CA LYS A 105 7.147 25.898 42.161 1.00 25.81 C ATOM 612 C LYS A 105 6.420 24.673 41.607 1.00 24.55 C ATOM 613 O LYS A 105 5.222 24.500 41.827 1.00 24.86 O ATOM 614 CB LYS A 105 6.374 27.183 41.844 1.00 28.02 C ATOM 615 CG LYS A 105 6.696 28.314 42.807 1.00 32.59 C ATOM 616 CD LYS A 105 5.918 29.583 42.494 1.00 37.29 C ATOM 617 CE LYS A 105 6.103 30.618 43.602 1.00 40.49 C ATOM 618 NZ LYS A 105 5.456 31.928 43.284 1.00 44.53 N ATOM 0 H LYS A 105 8.628 26.468 40.980 1.00 23.79 H new ATOM 0 HA LYS A 105 7.184 25.771 43.122 1.00 25.81 H new ATOM 0 HB2 LYS A 105 6.580 27.465 40.939 1.00 28.02 H new ATOM 0 HB3 LYS A 105 5.422 26.999 41.874 1.00 28.02 H new ATOM 0 HG2 LYS A 105 6.496 28.031 43.713 1.00 32.59 H new ATOM 0 HG3 LYS A 105 7.647 28.504 42.772 1.00 32.59 H new ATOM 0 HD2 LYS A 105 6.218 29.951 41.648 1.00 37.29 H new ATOM 0 HD3 LYS A 105 4.976 29.374 42.395 1.00 37.29 H new ATOM 0 HE2 LYS A 105 5.732 30.271 44.428 1.00 40.49 H new ATOM 0 HE3 LYS A 105 7.051 30.758 43.753 1.00 40.49 H new ATOM 0 HZ1 LYS A 105 5.590 32.496 43.956 1.00 44.53 H new ATOM 0 HZ2 LYS A 105 5.810 32.261 42.539 1.00 44.53 H new ATOM 0 HZ3 LYS A 105 4.582 31.807 43.168 1.00 44.53 H new ATOM 619 N GLU A 106 7.145 23.821 40.891 1.00 22.70 N ATOM 620 CA GLU A 106 6.544 22.605 40.362 1.00 22.81 C ATOM 621 C GLU A 106 6.457 21.579 41.490 1.00 21.61 C ATOM 622 O GLU A 106 7.064 21.751 42.551 1.00 21.32 O ATOM 623 CB GLU A 106 7.381 22.042 39.210 1.00 23.01 C ATOM 624 CG GLU A 106 7.019 22.603 37.843 1.00 23.26 C ATOM 625 CD GLU A 106 7.848 21.995 36.729 1.00 23.70 C ATOM 626 OE1 GLU A 106 8.068 20.767 36.750 1.00 26.21 O ATOM 627 OE2 GLU A 106 8.273 22.739 35.824 1.00 25.25 O ATOM 0 H GLU A 106 7.977 23.927 40.702 1.00 22.70 H new ATOM 0 HA GLU A 106 5.659 22.805 40.019 1.00 22.81 H new ATOM 0 HB2 GLU A 106 8.318 22.224 39.385 1.00 23.01 H new ATOM 0 HB3 GLU A 106 7.278 21.078 39.190 1.00 23.01 H new ATOM 0 HG2 GLU A 106 6.079 22.440 37.668 1.00 23.26 H new ATOM 0 HG3 GLU A 106 7.144 23.565 37.848 1.00 23.26 H new ATOM 628 N ASP A 107 5.694 20.518 41.270 1.00 20.69 N ATOM 629 CA ASP A 107 5.559 19.485 42.286 1.00 21.35 C ATOM 630 C ASP A 107 6.602 18.410 42.027 1.00 18.96 C ATOM 631 O ASP A 107 6.462 17.623 41.095 1.00 19.27 O ATOM 632 CB ASP A 107 4.164 18.860 42.237 1.00 23.32 C ATOM 633 CG ASP A 107 3.917 17.910 43.389 1.00 27.50 C ATOM 634 OD1 ASP A 107 4.862 17.198 43.786 1.00 27.85 O ATOM 635 OD2 ASP A 107 2.775 17.866 43.894 1.00 32.03 O ATOM 0 H ASP A 107 5.250 20.377 40.547 1.00 20.69 H new ATOM 0 HA ASP A 107 5.689 19.880 43.162 1.00 21.35 H new ATOM 0 HB2 ASP A 107 3.496 19.564 42.252 1.00 23.32 H new ATOM 0 HB3 ASP A 107 4.055 18.384 41.399 1.00 23.32 H new ATOM 636 N HIS A 108 7.641 18.378 42.853 1.00 18.03 N ATOM 637 CA HIS A 108 8.711 17.394 42.697 1.00 18.09 C ATOM 638 C HIS A 108 8.515 16.153 43.565 1.00 18.01 C ATOM 639 O HIS A 108 9.440 15.353 43.717 1.00 19.55 O ATOM 640 CB HIS A 108 10.056 18.029 43.047 1.00 17.81 C ATOM 641 CG HIS A 108 10.425 19.188 42.175 1.00 15.60 C ATOM 642 ND1 HIS A 108 11.118 19.040 40.993 1.00 16.30 N ATOM 643 CD2 HIS A 108 10.205 20.515 42.319 1.00 14.00 C ATOM 644 CE1 HIS A 108 11.314 20.227 40.448 1.00 14.20 C ATOM 645 NE2 HIS A 108 10.769 21.139 41.233 1.00 15.52 N ATOM 0 H HIS A 108 7.748 18.919 43.513 1.00 18.03 H new ATOM 0 HA HIS A 108 8.690 17.111 41.769 1.00 18.09 H new ATOM 0 HB2 HIS A 108 10.033 18.325 43.971 1.00 17.81 H new ATOM 0 HB3 HIS A 108 10.749 17.353 42.982 1.00 17.81 H new ATOM 0 HD2 HIS A 108 9.756 20.927 43.021 1.00 14.00 H new ATOM 0 HE1 HIS A 108 11.759 20.392 39.649 1.00 14.20 H new ATOM 0 HE2 HIS A 108 10.768 21.987 41.088 1.00 15.52 H new ATOM 646 N SER A 109 7.320 15.994 44.127 1.00 16.63 N ATOM 647 CA SER A 109 7.013 14.850 44.990 1.00 18.07 C ATOM 648 C SER A 109 7.521 13.504 44.487 1.00 17.07 C ATOM 649 O SER A 109 8.117 12.745 45.250 1.00 17.08 O ATOM 650 CB SER A 109 5.504 14.739 45.228 1.00 16.55 C ATOM 651 OG SER A 109 5.037 15.802 46.034 1.00 19.49 O ATOM 0 H SER A 109 6.666 16.542 44.021 1.00 16.63 H new ATOM 0 HA SER A 109 7.490 15.039 45.813 1.00 18.07 H new ATOM 0 HB2 SER A 109 5.038 14.745 44.377 1.00 16.55 H new ATOM 0 HB3 SER A 109 5.302 13.892 45.656 1.00 16.55 H new ATOM 0 HG SER A 109 4.876 16.470 45.551 1.00 19.49 H new ATOM 652 N LYS A 110 7.284 13.213 43.212 1.00 16.59 N ATOM 653 CA LYS A 110 7.697 11.941 42.623 1.00 18.28 C ATOM 654 C LYS A 110 9.136 11.927 42.098 1.00 16.65 C ATOM 655 O LYS A 110 9.601 10.907 41.584 1.00 15.51 O ATOM 656 CB LYS A 110 6.753 11.568 41.475 1.00 21.49 C ATOM 657 CG LYS A 110 5.268 11.661 41.805 1.00 26.77 C ATOM 658 CD LYS A 110 4.869 10.707 42.918 1.00 31.06 C ATOM 659 CE LYS A 110 3.377 10.797 43.204 1.00 33.01 C ATOM 660 NZ LYS A 110 2.958 9.857 44.283 1.00 36.30 N ATOM 0 H LYS A 110 6.882 13.742 42.666 1.00 16.59 H new ATOM 0 HA LYS A 110 7.654 11.294 43.344 1.00 18.28 H new ATOM 0 HB2 LYS A 110 6.939 12.148 40.720 1.00 21.49 H new ATOM 0 HB3 LYS A 110 6.952 10.661 41.193 1.00 21.49 H new ATOM 0 HG2 LYS A 110 5.052 12.570 42.067 1.00 26.77 H new ATOM 0 HG3 LYS A 110 4.748 11.464 41.010 1.00 26.77 H new ATOM 0 HD2 LYS A 110 5.100 9.799 42.668 1.00 31.06 H new ATOM 0 HD3 LYS A 110 5.369 10.916 43.722 1.00 31.06 H new ATOM 0 HE2 LYS A 110 3.152 11.705 43.461 1.00 33.01 H new ATOM 0 HE3 LYS A 110 2.881 10.600 42.394 1.00 33.01 H new ATOM 0 HZ1 LYS A 110 2.083 9.937 44.423 1.00 36.30 H new ATOM 0 HZ2 LYS A 110 3.144 9.022 44.038 1.00 36.30 H new ATOM 0 HZ3 LYS A 110 3.397 10.051 45.033 1.00 36.30 H new ATOM 661 N ARG A 111 9.836 13.049 42.231 1.00 14.92 N ATOM 662 CA ARG A 111 11.207 13.154 41.740 1.00 15.66 C ATOM 663 C ARG A 111 12.251 12.939 42.834 1.00 15.34 C ATOM 664 O ARG A 111 12.053 13.338 43.981 1.00 17.35 O ATOM 665 CB ARG A 111 11.392 14.514 41.074 1.00 16.24 C ATOM 666 CG ARG A 111 10.387 14.742 39.953 1.00 16.46 C ATOM 667 CD ARG A 111 10.327 16.187 39.500 1.00 16.45 C ATOM 668 NE ARG A 111 9.352 16.360 38.426 1.00 16.93 N ATOM 669 CZ ARG A 111 8.925 17.536 37.980 1.00 16.41 C ATOM 670 NH1 ARG A 111 9.383 18.658 38.513 1.00 16.58 N ATOM 671 NH2 ARG A 111 8.039 17.590 37.000 1.00 18.12 N ATOM 0 H ARG A 111 9.535 13.763 42.604 1.00 14.92 H new ATOM 0 HA ARG A 111 11.348 12.443 41.095 1.00 15.66 H new ATOM 0 HB2 ARG A 111 11.298 15.214 41.739 1.00 16.24 H new ATOM 0 HB3 ARG A 111 12.292 14.579 40.718 1.00 16.24 H new ATOM 0 HG2 ARG A 111 10.619 14.180 39.197 1.00 16.46 H new ATOM 0 HG3 ARG A 111 9.507 14.465 40.252 1.00 16.46 H new ATOM 0 HD2 ARG A 111 10.091 16.755 40.250 1.00 16.45 H new ATOM 0 HD3 ARG A 111 11.203 16.470 39.195 1.00 16.45 H new ATOM 0 HE ARG A 111 9.033 15.652 38.057 1.00 16.93 H new ATOM 0 HH11 ARG A 111 9.959 18.627 39.151 1.00 16.58 H new ATOM 0 HH12 ARG A 111 9.104 19.418 38.222 1.00 16.58 H new ATOM 0 HH21 ARG A 111 7.739 16.863 36.651 1.00 18.12 H new ATOM 0 HH22 ARG A 111 7.763 18.352 36.712 1.00 18.12 H new ATOM 672 N SER A 112 13.364 12.309 42.467 1.00 13.84 N ATOM 673 CA SER A 112 14.438 12.009 43.411 1.00 13.11 C ATOM 674 C SER A 112 15.407 13.157 43.663 1.00 13.07 C ATOM 675 O SER A 112 15.958 13.291 44.763 1.00 11.84 O ATOM 676 CB SER A 112 15.241 10.798 42.927 1.00 11.68 C ATOM 677 OG SER A 112 14.420 9.652 42.793 1.00 14.23 O ATOM 0 H SER A 112 13.518 12.043 41.664 1.00 13.84 H new ATOM 0 HA SER A 112 13.989 11.831 44.252 1.00 13.11 H new ATOM 0 HB2 SER A 112 15.655 11.003 42.074 1.00 11.68 H new ATOM 0 HB3 SER A 112 15.958 10.612 43.553 1.00 11.68 H new ATOM 0 HG SER A 112 13.888 9.762 42.152 1.00 14.23 H new ATOM 678 N SER A 113 15.626 13.980 42.647 1.00 13.12 N ATOM 679 CA SER A 113 16.562 15.085 42.784 1.00 13.61 C ATOM 680 C SER A 113 16.262 16.208 41.805 1.00 13.44 C ATOM 681 O SER A 113 15.252 16.179 41.104 1.00 14.16 O ATOM 682 CB SER A 113 17.984 14.570 42.547 1.00 13.06 C ATOM 683 OG SER A 113 18.113 14.038 41.234 1.00 11.96 O ATOM 0 H SER A 113 15.247 13.917 41.877 1.00 13.12 H new ATOM 0 HA SER A 113 16.474 15.444 43.681 1.00 13.61 H new ATOM 0 HB2 SER A 113 18.620 15.292 42.672 1.00 13.06 H new ATOM 0 HB3 SER A 113 18.199 13.886 43.201 1.00 13.06 H new ATOM 0 HG SER A 113 17.353 13.840 40.936 1.00 11.96 H new ATOM 684 N PHE A 114 17.148 17.197 41.772 1.00 13.04 N ATOM 685 CA PHE A 114 17.016 18.331 40.865 1.00 14.13 C ATOM 686 C PHE A 114 18.390 18.753 40.373 1.00 15.19 C ATOM 687 O PHE A 114 19.312 18.930 41.170 1.00 18.24 O ATOM 688 CB PHE A 114 16.363 19.533 41.552 1.00 12.34 C ATOM 689 CG PHE A 114 16.284 20.754 40.670 1.00 12.85 C ATOM 690 CD1 PHE A 114 15.478 20.756 39.532 1.00 12.18 C ATOM 691 CD2 PHE A 114 17.056 21.881 40.943 1.00 12.24 C ATOM 692 CE1 PHE A 114 15.446 21.861 38.674 1.00 14.07 C ATOM 693 CE2 PHE A 114 17.032 22.989 40.095 1.00 12.27 C ATOM 694 CZ PHE A 114 16.226 22.980 38.956 1.00 12.94 C ATOM 0 H PHE A 114 17.844 17.230 42.276 1.00 13.04 H new ATOM 0 HA PHE A 114 16.454 18.049 40.126 1.00 14.13 H new ATOM 0 HB2 PHE A 114 15.468 19.289 41.836 1.00 12.34 H new ATOM 0 HB3 PHE A 114 16.865 19.752 42.353 1.00 12.34 H new ATOM 0 HD1 PHE A 114 14.954 20.012 39.340 1.00 12.18 H new ATOM 0 HD2 PHE A 114 17.595 21.895 41.701 1.00 12.24 H new ATOM 0 HE1 PHE A 114 14.905 21.848 37.917 1.00 14.07 H new ATOM 0 HE2 PHE A 114 17.554 23.734 40.289 1.00 12.27 H new ATOM 0 HZ PHE A 114 16.210 23.717 38.389 1.00 12.94 H new ATOM 695 N VAL A 115 18.524 18.922 39.064 1.00 14.33 N ATOM 696 CA VAL A 115 19.791 19.335 38.483 1.00 14.22 C ATOM 697 C VAL A 115 19.612 20.580 37.626 1.00 15.29 C ATOM 698 O VAL A 115 18.656 20.692 36.861 1.00 16.88 O ATOM 699 CB VAL A 115 20.395 18.233 37.598 1.00 13.89 C ATOM 700 CG1 VAL A 115 21.692 18.728 36.971 1.00 12.26 C ATOM 701 CG2 VAL A 115 20.649 16.986 38.418 1.00 13.51 C ATOM 0 H VAL A 115 17.891 18.802 38.494 1.00 14.33 H new ATOM 0 HA VAL A 115 20.389 19.519 39.224 1.00 14.22 H new ATOM 0 HB VAL A 115 19.768 18.014 36.891 1.00 13.89 H new ATOM 0 HG11 VAL A 115 22.069 18.030 36.414 1.00 12.26 H new ATOM 0 HG12 VAL A 115 21.511 19.512 36.429 1.00 12.26 H new ATOM 0 HG13 VAL A 115 22.323 18.959 37.671 1.00 12.26 H new ATOM 0 HG21 VAL A 115 21.030 16.297 37.851 1.00 13.51 H new ATOM 0 HG22 VAL A 115 21.268 17.191 39.136 1.00 13.51 H new ATOM 0 HG23 VAL A 115 19.812 16.669 38.793 1.00 13.51 H new ATOM 702 N CYS A 116 20.542 21.513 37.763 1.00 14.49 N ATOM 703 CA CYS A 116 20.510 22.745 36.997 1.00 12.63 C ATOM 704 C CYS A 116 21.923 23.045 36.533 1.00 12.33 C ATOM 705 O CYS A 116 22.838 23.168 37.349 1.00 12.42 O ATOM 706 CB CYS A 116 19.995 23.902 37.856 1.00 12.76 C ATOM 707 SG CYS A 116 20.170 25.530 37.068 1.00 14.77 S ATOM 0 H CYS A 116 21.209 21.449 38.303 1.00 14.49 H new ATOM 0 HA CYS A 116 19.913 22.644 36.239 1.00 12.63 H new ATOM 0 HB2 CYS A 116 19.059 23.750 38.062 1.00 12.76 H new ATOM 0 HB3 CYS A 116 20.474 23.906 38.699 1.00 12.76 H new ATOM 0 HG CYS A 116 19.743 26.378 37.802 1.00 14.77 H new ATOM 708 N VAL A 117 22.102 23.150 35.221 1.00 10.75 N ATOM 709 CA VAL A 117 23.411 23.445 34.660 1.00 11.47 C ATOM 710 C VAL A 117 23.398 24.857 34.084 1.00 13.35 C ATOM 711 O VAL A 117 22.497 25.229 33.325 1.00 13.47 O ATOM 712 CB VAL A 117 23.777 22.453 33.539 1.00 12.85 C ATOM 713 CG1 VAL A 117 25.249 22.593 33.185 1.00 12.79 C ATOM 714 CG2 VAL A 117 23.458 21.028 33.977 1.00 11.43 C ATOM 0 H VAL A 117 21.476 23.054 34.639 1.00 10.75 H new ATOM 0 HA VAL A 117 24.070 23.367 35.367 1.00 11.47 H new ATOM 0 HB VAL A 117 23.251 22.654 32.749 1.00 12.85 H new ATOM 0 HG11 VAL A 117 25.473 21.966 32.479 1.00 12.79 H new ATOM 0 HG12 VAL A 117 25.424 23.497 32.882 1.00 12.79 H new ATOM 0 HG13 VAL A 117 25.790 22.405 33.968 1.00 12.79 H new ATOM 0 HG21 VAL A 117 23.691 20.411 33.266 1.00 11.43 H new ATOM 0 HG22 VAL A 117 23.969 20.812 34.773 1.00 11.43 H new ATOM 0 HG23 VAL A 117 22.511 20.953 34.171 1.00 11.43 H new ATOM 715 N LEU A 118 24.396 25.646 34.459 1.00 14.22 N ATOM 716 CA LEU A 118 24.504 27.019 33.982 1.00 12.54 C ATOM 717 C LEU A 118 25.781 27.169 33.171 1.00 12.28 C ATOM 718 O LEU A 118 26.883 27.043 33.701 1.00 14.06 O ATOM 719 CB LEU A 118 24.528 27.984 35.168 1.00 11.67 C ATOM 720 CG LEU A 118 23.361 27.855 36.143 1.00 12.93 C ATOM 721 CD1 LEU A 118 23.682 28.616 37.418 1.00 11.49 C ATOM 722 CD2 LEU A 118 22.083 28.372 35.493 1.00 12.09 C ATOM 0 H LEU A 118 25.025 25.404 34.993 1.00 14.22 H new ATOM 0 HA LEU A 118 23.738 27.227 33.424 1.00 12.54 H new ATOM 0 HB2 LEU A 118 25.355 27.850 35.658 1.00 11.67 H new ATOM 0 HB3 LEU A 118 24.545 28.892 34.826 1.00 11.67 H new ATOM 0 HG LEU A 118 23.222 26.922 36.371 1.00 12.93 H new ATOM 0 HD11 LEU A 118 22.941 28.535 38.039 1.00 11.49 H new ATOM 0 HD12 LEU A 118 24.483 28.248 37.822 1.00 11.49 H new ATOM 0 HD13 LEU A 118 23.827 29.552 37.209 1.00 11.49 H new ATOM 0 HD21 LEU A 118 21.345 28.287 36.117 1.00 12.09 H new ATOM 0 HD22 LEU A 118 22.197 29.305 35.252 1.00 12.09 H new ATOM 0 HD23 LEU A 118 21.893 27.853 34.696 1.00 12.09 H new ATOM 723 N LEU A 119 25.626 27.425 31.880 1.00 13.05 N ATOM 724 CA LEU A 119 26.764 27.597 30.987 1.00 11.95 C ATOM 725 C LEU A 119 26.725 29.048 30.514 1.00 13.76 C ATOM 726 O LEU A 119 25.867 29.419 29.710 1.00 16.37 O ATOM 727 CB LEU A 119 26.629 26.654 29.791 1.00 9.91 C ATOM 728 CG LEU A 119 26.163 25.220 30.076 1.00 10.65 C ATOM 729 CD1 LEU A 119 25.956 24.479 28.752 1.00 7.18 C ATOM 730 CD2 LEU A 119 27.185 24.497 30.953 1.00 7.55 C ATOM 0 H LEU A 119 24.860 27.504 31.496 1.00 13.05 H new ATOM 0 HA LEU A 119 27.601 27.395 31.435 1.00 11.95 H new ATOM 0 HB2 LEU A 119 26.007 27.053 29.163 1.00 9.91 H new ATOM 0 HB3 LEU A 119 27.490 26.607 29.347 1.00 9.91 H new ATOM 0 HG LEU A 119 25.320 25.243 30.556 1.00 10.65 H new ATOM 0 HD11 LEU A 119 25.661 23.572 28.931 1.00 7.18 H new ATOM 0 HD12 LEU A 119 25.284 24.939 28.225 1.00 7.18 H new ATOM 0 HD13 LEU A 119 26.792 24.456 28.260 1.00 7.18 H new ATOM 0 HD21 LEU A 119 26.880 23.593 31.127 1.00 7.55 H new ATOM 0 HD22 LEU A 119 28.040 24.468 30.496 1.00 7.55 H new ATOM 0 HD23 LEU A 119 27.284 24.971 31.793 1.00 7.55 H new ATOM 731 N SER A 120 27.642 29.871 31.009 1.00 13.66 N ATOM 732 CA SER A 120 27.654 31.274 30.624 1.00 15.60 C ATOM 733 C SER A 120 28.850 32.032 31.188 1.00 17.21 C ATOM 734 O SER A 120 29.740 31.452 31.809 1.00 16.57 O ATOM 735 CB SER A 120 26.360 31.941 31.110 1.00 16.24 C ATOM 736 OG SER A 120 26.346 33.333 30.838 1.00 16.55 O ATOM 0 H SER A 120 28.258 29.640 31.562 1.00 13.66 H new ATOM 0 HA SER A 120 27.722 31.307 29.657 1.00 15.60 H new ATOM 0 HB2 SER A 120 25.599 31.520 30.680 1.00 16.24 H new ATOM 0 HB3 SER A 120 26.262 31.798 32.064 1.00 16.24 H new ATOM 0 HG SER A 120 26.312 33.456 30.008 1.00 16.55 H new ATOM 737 N HIS A 121 28.869 33.338 30.944 1.00 18.17 N ATOM 738 CA HIS A 121 29.920 34.189 31.464 1.00 19.89 C ATOM 739 C HIS A 121 29.539 34.404 32.921 1.00 20.80 C ATOM 740 O HIS A 121 28.376 34.224 33.291 1.00 21.00 O ATOM 741 CB HIS A 121 29.930 35.546 30.753 1.00 23.06 C ATOM 742 CG HIS A 121 30.440 35.501 29.343 1.00 24.14 C ATOM 743 ND1 HIS A 121 31.631 34.900 28.999 1.00 25.20 N ATOM 744 CD2 HIS A 121 29.946 36.039 28.201 1.00 23.70 C ATOM 745 CE1 HIS A 121 31.852 35.071 27.707 1.00 26.15 C ATOM 746 NE2 HIS A 121 30.844 35.759 27.200 1.00 24.38 N ATOM 0 H HIS A 121 28.276 33.749 30.476 1.00 18.17 H new ATOM 0 HA HIS A 121 30.796 33.791 31.342 1.00 19.89 H new ATOM 0 HB2 HIS A 121 29.028 35.903 30.748 1.00 23.06 H new ATOM 0 HB3 HIS A 121 30.477 36.163 31.264 1.00 23.06 H new ATOM 0 HD2 HIS A 121 29.149 36.509 28.112 1.00 23.70 H new ATOM 0 HE1 HIS A 121 32.591 34.760 27.235 1.00 26.15 H new ATOM 0 HE2 HIS A 121 30.763 35.993 26.377 1.00 24.38 H new ATOM 747 N GLY A 122 30.505 34.788 33.748 1.00 20.63 N ATOM 748 CA GLY A 122 30.199 35.031 35.142 1.00 19.33 C ATOM 749 C GLY A 122 31.363 35.540 35.963 1.00 19.90 C ATOM 750 O GLY A 122 32.468 35.729 35.457 1.00 18.64 O ATOM 0 H GLY A 122 31.326 34.910 33.524 1.00 20.63 H new ATOM 0 HA2 GLY A 122 29.475 35.675 35.195 1.00 19.33 H new ATOM 0 HA3 GLY A 122 29.875 34.207 35.538 1.00 19.33 H new ATOM 751 N GLU A 123 31.089 35.773 37.241 1.00 20.30 N ATOM 752 CA GLU A 123 32.082 36.233 38.201 1.00 22.95 C ATOM 753 C GLU A 123 31.713 35.512 39.487 1.00 23.18 C ATOM 754 O GLU A 123 30.732 34.765 39.515 1.00 23.44 O ATOM 755 CB GLU A 123 31.981 37.743 38.418 1.00 25.78 C ATOM 756 CG GLU A 123 31.983 38.559 37.135 1.00 30.98 C ATOM 757 CD GLU A 123 32.099 40.050 37.390 1.00 32.12 C ATOM 758 OE1 GLU A 123 31.282 40.599 38.161 1.00 34.74 O ATOM 759 OE2 GLU A 123 33.010 40.674 36.813 1.00 34.23 O ATOM 0 H GLU A 123 30.306 35.666 37.580 1.00 20.30 H new ATOM 0 HA GLU A 123 32.987 36.053 37.901 1.00 22.95 H new ATOM 0 HB2 GLU A 123 31.168 37.935 38.910 1.00 25.78 H new ATOM 0 HB3 GLU A 123 32.723 38.030 38.973 1.00 25.78 H new ATOM 0 HG2 GLU A 123 32.721 38.272 36.575 1.00 30.98 H new ATOM 0 HG3 GLU A 123 31.167 38.381 36.642 1.00 30.98 H new ATOM 760 N GLU A 124 32.480 35.734 40.548 1.00 22.23 N ATOM 761 CA GLU A 124 32.197 35.083 41.823 1.00 22.21 C ATOM 762 C GLU A 124 30.752 35.349 42.273 1.00 21.41 C ATOM 763 O GLU A 124 30.330 36.503 42.396 1.00 22.13 O ATOM 764 CB GLU A 124 33.178 35.571 42.893 1.00 19.81 C ATOM 765 CG GLU A 124 33.169 34.729 44.151 1.00 20.17 C ATOM 766 CD GLU A 124 33.595 33.293 43.890 1.00 21.30 C ATOM 767 OE1 GLU A 124 34.775 33.078 43.541 1.00 19.69 O ATOM 768 OE2 GLU A 124 32.750 32.384 44.030 1.00 20.27 O ATOM 0 H GLU A 124 33.165 36.254 40.552 1.00 22.23 H new ATOM 0 HA GLU A 124 32.305 34.127 41.703 1.00 22.21 H new ATOM 0 HB2 GLU A 124 34.074 35.575 42.522 1.00 19.81 H new ATOM 0 HB3 GLU A 124 32.963 36.488 43.125 1.00 19.81 H new ATOM 0 HG2 GLU A 124 33.763 35.126 44.807 1.00 20.17 H new ATOM 0 HG3 GLU A 124 32.278 34.735 44.535 1.00 20.17 H new ATOM 769 N GLY A 125 30.004 34.272 42.506 1.00 20.71 N ATOM 770 CA GLY A 125 28.618 34.384 42.935 1.00 19.48 C ATOM 771 C GLY A 125 27.691 35.022 41.910 1.00 19.67 C ATOM 772 O GLY A 125 26.566 35.403 42.236 1.00 19.17 O ATOM 0 H GLY A 125 30.285 33.464 42.420 1.00 20.71 H new ATOM 0 HA2 GLY A 125 28.285 33.499 43.149 1.00 19.48 H new ATOM 0 HA3 GLY A 125 28.585 34.905 43.753 1.00 19.48 H new ATOM 773 N ILE A 126 28.145 35.109 40.664 1.00 20.11 N ATOM 774 CA ILE A 126 27.362 35.750 39.614 1.00 21.45 C ATOM 775 C ILE A 126 27.318 34.973 38.302 1.00 21.91 C ATOM 776 O ILE A 126 28.328 34.434 37.851 1.00 23.50 O ATOM 777 CB ILE A 126 27.930 37.175 39.317 1.00 22.00 C ATOM 778 CG1 ILE A 126 27.573 38.131 40.452 1.00 19.48 C ATOM 779 CG2 ILE A 126 27.417 37.698 37.986 1.00 20.09 C ATOM 780 CD1 ILE A 126 28.139 39.527 40.255 1.00 20.50 C ATOM 0 H ILE A 126 28.906 34.802 40.406 1.00 20.11 H new ATOM 0 HA ILE A 126 26.456 35.788 39.957 1.00 21.45 H new ATOM 0 HB ILE A 126 28.896 37.114 39.257 1.00 22.00 H new ATOM 0 HG12 ILE A 126 26.608 38.187 40.529 1.00 19.48 H new ATOM 0 HG13 ILE A 126 27.904 37.769 41.289 1.00 19.48 H new ATOM 0 HG21 ILE A 126 27.782 38.582 37.823 1.00 20.09 H new ATOM 0 HG22 ILE A 126 27.693 37.099 37.275 1.00 20.09 H new ATOM 0 HG23 ILE A 126 26.449 37.748 38.009 1.00 20.09 H new ATOM 0 HD11 ILE A 126 27.882 40.089 41.003 1.00 20.50 H new ATOM 0 HD12 ILE A 126 29.107 39.480 40.204 1.00 20.50 H new ATOM 0 HD13 ILE A 126 27.790 39.905 39.432 1.00 20.50 H new ATOM 781 N ILE A 127 26.138 34.929 37.693 1.00 22.29 N ATOM 782 CA ILE A 127 25.951 34.257 36.414 1.00 22.77 C ATOM 783 C ILE A 127 25.286 35.280 35.497 1.00 22.43 C ATOM 784 O ILE A 127 24.344 35.967 35.897 1.00 20.81 O ATOM 785 CB ILE A 127 25.065 32.992 36.551 1.00 23.33 C ATOM 786 CG1 ILE A 127 25.197 32.137 35.298 1.00 24.45 C ATOM 787 CG2 ILE A 127 23.607 33.371 36.737 1.00 24.50 C ATOM 788 CD1 ILE A 127 26.609 31.651 35.033 1.00 27.86 C ATOM 0 H ILE A 127 25.424 35.288 38.010 1.00 22.29 H new ATOM 0 HA ILE A 127 26.801 33.952 36.060 1.00 22.77 H new ATOM 0 HB ILE A 127 25.363 32.495 37.329 1.00 23.33 H new ATOM 0 HG12 ILE A 127 24.609 31.369 35.377 1.00 24.45 H new ATOM 0 HG13 ILE A 127 24.892 32.650 34.533 1.00 24.45 H new ATOM 0 HG21 ILE A 127 23.071 32.567 36.820 1.00 24.50 H new ATOM 0 HG22 ILE A 127 23.512 33.907 37.540 1.00 24.50 H new ATOM 0 HG23 ILE A 127 23.305 33.882 35.970 1.00 24.50 H new ATOM 0 HD11 ILE A 127 26.621 31.115 34.224 1.00 27.86 H new ATOM 0 HD12 ILE A 127 27.199 32.413 34.924 1.00 27.86 H new ATOM 0 HD13 ILE A 127 26.912 31.113 35.781 1.00 27.86 H new ATOM 789 N PHE A 128 25.791 35.391 34.273 1.00 23.45 N ATOM 790 CA PHE A 128 25.268 36.364 33.318 1.00 23.08 C ATOM 791 C PHE A 128 24.108 35.951 32.437 1.00 21.36 C ATOM 792 O PHE A 128 24.150 34.924 31.762 1.00 19.99 O ATOM 793 CB PHE A 128 26.395 36.865 32.413 1.00 24.13 C ATOM 794 CG PHE A 128 27.252 37.908 33.049 1.00 28.86 C ATOM 795 CD1 PHE A 128 26.813 39.227 33.133 1.00 30.15 C ATOM 796 CD2 PHE A 128 28.489 37.572 33.597 1.00 30.48 C ATOM 797 CE1 PHE A 128 27.591 40.199 33.757 1.00 31.55 C ATOM 798 CE2 PHE A 128 29.279 38.536 34.225 1.00 31.45 C ATOM 799 CZ PHE A 128 28.829 39.851 34.305 1.00 30.79 C ATOM 0 H PHE A 128 26.439 34.911 33.974 1.00 23.45 H new ATOM 0 HA PHE A 128 24.900 37.048 33.899 1.00 23.08 H new ATOM 0 HB2 PHE A 128 26.951 36.113 32.155 1.00 24.13 H new ATOM 0 HB3 PHE A 128 26.010 37.226 31.599 1.00 24.13 H new ATOM 0 HD1 PHE A 128 25.990 39.462 32.768 1.00 30.15 H new ATOM 0 HD2 PHE A 128 28.792 36.694 33.543 1.00 30.48 H new ATOM 0 HE1 PHE A 128 27.288 41.077 33.809 1.00 31.55 H new ATOM 0 HE2 PHE A 128 30.102 38.301 34.588 1.00 31.45 H new ATOM 0 HZ PHE A 128 29.351 40.497 34.723 1.00 30.79 H new ATOM 800 N GLY A 129 23.066 36.772 32.464 1.00 20.89 N ATOM 801 CA GLY A 129 21.923 36.545 31.611 1.00 19.34 C ATOM 802 C GLY A 129 22.426 37.179 30.329 1.00 19.40 C ATOM 803 O GLY A 129 23.509 37.766 30.326 1.00 17.66 O ATOM 0 H GLY A 129 23.006 37.464 32.971 1.00 20.89 H new ATOM 0 HA2 GLY A 129 21.720 35.602 31.505 1.00 19.34 H new ATOM 0 HA3 GLY A 129 21.119 36.972 31.946 1.00 19.34 H new ATOM 804 N THR A 130 21.670 37.079 29.247 1.00 19.69 N ATOM 805 CA THR A 130 22.107 37.647 27.981 1.00 20.45 C ATOM 806 C THR A 130 22.160 39.170 27.994 1.00 22.88 C ATOM 807 O THR A 130 22.781 39.782 27.123 1.00 22.73 O ATOM 808 CB THR A 130 21.168 37.225 26.853 1.00 20.08 C ATOM 809 OG1 THR A 130 19.835 37.631 27.181 1.00 18.22 O ATOM 810 CG2 THR A 130 21.210 35.713 26.659 1.00 18.77 C ATOM 0 H THR A 130 20.904 36.688 29.223 1.00 19.69 H new ATOM 0 HA THR A 130 23.005 37.308 27.838 1.00 20.45 H new ATOM 0 HB THR A 130 21.451 37.649 26.028 1.00 20.08 H new ATOM 0 HG1 THR A 130 19.441 37.888 26.485 1.00 18.22 H new ATOM 0 HG21 THR A 130 20.609 35.462 25.940 1.00 18.77 H new ATOM 0 HG22 THR A 130 22.113 35.440 26.435 1.00 18.77 H new ATOM 0 HG23 THR A 130 20.934 35.274 27.479 1.00 18.77 H new ATOM 811 N ASN A 131 21.520 39.776 28.990 1.00 23.60 N ATOM 812 CA ASN A 131 21.450 41.227 29.087 1.00 23.60 C ATOM 813 C ASN A 131 21.920 41.753 30.430 1.00 25.25 C ATOM 814 O ASN A 131 21.874 42.960 30.677 1.00 24.98 O ATOM 815 CB ASN A 131 20.006 41.666 28.879 1.00 23.36 C ATOM 816 CG ASN A 131 19.105 41.227 30.018 1.00 23.47 C ATOM 817 OD1 ASN A 131 19.271 40.138 30.570 1.00 22.27 O ATOM 818 ND2 ASN A 131 18.147 42.069 30.373 1.00 22.87 N ATOM 0 H ASN A 131 21.117 39.359 29.625 1.00 23.60 H new ATOM 0 HA ASN A 131 22.039 41.588 28.406 1.00 23.60 H new ATOM 0 HB2 ASN A 131 19.972 42.632 28.795 1.00 23.36 H new ATOM 0 HB3 ASN A 131 19.674 41.297 28.045 1.00 23.36 H new ATOM 0 HD21 ASN A 131 17.610 41.864 31.013 1.00 22.87 H new ATOM 0 HD22 ASN A 131 18.062 42.821 29.964 1.00 22.87 H new ATOM 819 N GLY A 132 22.352 40.855 31.306 1.00 26.82 N ATOM 820 CA GLY A 132 22.801 41.291 32.613 1.00 26.33 C ATOM 821 C GLY A 132 23.061 40.152 33.575 1.00 26.89 C ATOM 822 O GLY A 132 22.609 39.028 33.361 1.00 24.94 O ATOM 0 H GLY A 132 22.392 40.007 31.166 1.00 26.82 H new ATOM 0 HA2 GLY A 132 23.614 41.810 32.511 1.00 26.33 H new ATOM 0 HA3 GLY A 132 22.133 41.882 32.996 1.00 26.33 H new ATOM 823 N PRO A 133 23.784 40.428 34.666 1.00 27.76 N ATOM 824 CA PRO A 133 24.123 39.432 35.685 1.00 28.12 C ATOM 825 C PRO A 133 22.952 38.999 36.563 1.00 26.99 C ATOM 826 O PRO A 133 21.931 39.682 36.652 1.00 27.43 O ATOM 827 CB PRO A 133 25.203 40.139 36.493 1.00 28.87 C ATOM 828 CG PRO A 133 24.698 41.554 36.497 1.00 30.03 C ATOM 829 CD PRO A 133 24.295 41.758 35.044 1.00 28.26 C ATOM 0 HA PRO A 133 24.405 38.594 35.286 1.00 28.12 H new ATOM 0 HB2 PRO A 133 25.283 39.778 37.390 1.00 28.87 H new ATOM 0 HB3 PRO A 133 26.077 40.065 36.078 1.00 28.87 H new ATOM 0 HG2 PRO A 133 23.947 41.669 37.100 1.00 30.03 H new ATOM 0 HG3 PRO A 133 25.383 42.182 36.774 1.00 30.03 H new ATOM 0 HD2 PRO A 133 23.617 42.446 34.950 1.00 28.26 H new ATOM 0 HD3 PRO A 133 25.048 42.025 34.494 1.00 28.26 H new ATOM 830 N VAL A 134 23.125 37.851 37.208 1.00 25.59 N ATOM 831 CA VAL A 134 22.137 37.291 38.119 1.00 24.04 C ATOM 832 C VAL A 134 22.929 36.652 39.248 1.00 23.34 C ATOM 833 O VAL A 134 23.837 35.862 38.994 1.00 23.45 O ATOM 834 CB VAL A 134 21.289 36.187 37.451 1.00 24.30 C ATOM 835 CG1 VAL A 134 20.311 35.612 38.461 1.00 21.95 C ATOM 836 CG2 VAL A 134 20.544 36.746 36.255 1.00 24.40 C ATOM 0 H VAL A 134 23.832 37.368 37.127 1.00 25.59 H new ATOM 0 HA VAL A 134 21.532 37.990 38.413 1.00 24.04 H new ATOM 0 HB VAL A 134 21.877 35.480 37.142 1.00 24.30 H new ATOM 0 HG11 VAL A 134 19.780 34.919 38.039 1.00 21.95 H new ATOM 0 HG12 VAL A 134 20.801 35.233 39.207 1.00 21.95 H new ATOM 0 HG13 VAL A 134 19.726 36.316 38.783 1.00 21.95 H new ATOM 0 HG21 VAL A 134 20.016 36.043 35.845 1.00 24.40 H new ATOM 0 HG22 VAL A 134 19.958 37.463 36.545 1.00 24.40 H new ATOM 0 HG23 VAL A 134 21.180 37.090 35.609 1.00 24.40 H new ATOM 837 N ASP A 135 22.607 37.004 40.486 1.00 23.52 N ATOM 838 CA ASP A 135 23.300 36.427 41.630 1.00 24.67 C ATOM 839 C ASP A 135 22.912 34.961 41.724 1.00 24.36 C ATOM 840 O ASP A 135 21.731 34.624 41.650 1.00 24.28 O ATOM 841 CB ASP A 135 22.898 37.136 42.925 1.00 27.41 C ATOM 842 CG ASP A 135 23.500 38.522 43.047 1.00 31.57 C ATOM 843 OD1 ASP A 135 23.192 39.213 44.043 1.00 32.90 O ATOM 844 OD2 ASP A 135 24.284 38.923 42.158 1.00 33.95 O ATOM 0 H ASP A 135 21.993 37.573 40.685 1.00 23.52 H new ATOM 0 HA ASP A 135 24.257 36.529 41.512 1.00 24.67 H new ATOM 0 HB2 ASP A 135 21.931 37.203 42.965 1.00 27.41 H new ATOM 0 HB3 ASP A 135 23.177 36.599 43.683 1.00 27.41 H new ATOM 845 N LEU A 136 23.898 34.087 41.876 1.00 23.32 N ATOM 846 CA LEU A 136 23.604 32.668 41.989 1.00 23.67 C ATOM 847 C LEU A 136 22.662 32.461 43.164 1.00 22.86 C ATOM 848 O LEU A 136 21.716 31.676 43.090 1.00 22.93 O ATOM 849 CB LEU A 136 24.890 31.869 42.208 1.00 25.84 C ATOM 850 CG LEU A 136 25.850 31.847 41.018 1.00 29.03 C ATOM 851 CD1 LEU A 136 27.148 31.165 41.417 1.00 30.67 C ATOM 852 CD2 LEU A 136 25.193 31.119 39.841 1.00 31.23 C ATOM 0 H LEU A 136 24.732 34.292 41.916 1.00 23.32 H new ATOM 0 HA LEU A 136 23.190 32.357 41.169 1.00 23.67 H new ATOM 0 HB2 LEU A 136 25.356 32.237 42.975 1.00 25.84 H new ATOM 0 HB3 LEU A 136 24.653 30.955 42.431 1.00 25.84 H new ATOM 0 HG LEU A 136 26.052 32.756 40.746 1.00 29.03 H new ATOM 0 HD11 LEU A 136 27.754 31.153 40.659 1.00 30.67 H new ATOM 0 HD12 LEU A 136 27.557 31.651 42.150 1.00 30.67 H new ATOM 0 HD13 LEU A 136 26.963 30.255 41.697 1.00 30.67 H new ATOM 0 HD21 LEU A 136 25.803 31.106 39.087 1.00 31.23 H new ATOM 0 HD22 LEU A 136 24.981 30.209 40.101 1.00 31.23 H new ATOM 0 HD23 LEU A 136 24.378 31.581 39.589 1.00 31.23 H new ATOM 853 N LYS A 137 22.921 33.190 44.244 1.00 21.24 N ATOM 854 CA LYS A 137 22.113 33.087 45.449 1.00 21.44 C ATOM 855 C LYS A 137 20.623 33.267 45.148 1.00 20.71 C ATOM 856 O LYS A 137 19.775 32.595 45.735 1.00 18.88 O ATOM 857 CB LYS A 137 22.572 34.136 46.464 1.00 22.21 C ATOM 858 CG LYS A 137 22.280 33.778 47.907 1.00 24.45 C ATOM 859 CD LYS A 137 23.096 32.573 48.351 1.00 24.76 C ATOM 860 CE LYS A 137 22.681 32.119 49.744 1.00 27.87 C ATOM 861 NZ LYS A 137 23.304 30.818 50.122 1.00 28.86 N ATOM 0 H LYS A 137 23.567 33.755 44.297 1.00 21.24 H new ATOM 0 HA LYS A 137 22.233 32.198 45.817 1.00 21.44 H new ATOM 0 HB2 LYS A 137 23.527 34.273 46.363 1.00 22.21 H new ATOM 0 HB3 LYS A 137 22.141 34.980 46.258 1.00 22.21 H new ATOM 0 HG2 LYS A 137 22.481 34.536 48.478 1.00 24.45 H new ATOM 0 HG3 LYS A 137 21.335 33.588 48.011 1.00 24.45 H new ATOM 0 HD2 LYS A 137 22.975 31.846 47.720 1.00 24.76 H new ATOM 0 HD3 LYS A 137 24.040 32.798 48.348 1.00 24.76 H new ATOM 0 HE2 LYS A 137 22.932 32.796 50.391 1.00 27.87 H new ATOM 0 HE3 LYS A 137 21.715 32.036 49.781 1.00 27.87 H new ATOM 0 HZ1 LYS A 137 22.837 30.446 50.782 1.00 28.86 H new ATOM 0 HZ2 LYS A 137 23.306 30.274 49.418 1.00 28.86 H new ATOM 0 HZ3 LYS A 137 24.141 30.957 50.392 1.00 28.86 H new ATOM 862 N LYS A 138 20.309 34.173 44.228 1.00 20.88 N ATOM 863 CA LYS A 138 18.919 34.433 43.874 1.00 21.80 C ATOM 864 C LYS A 138 18.292 33.238 43.162 1.00 20.60 C ATOM 865 O LYS A 138 17.111 32.944 43.341 1.00 20.25 O ATOM 866 CB LYS A 138 18.818 35.674 42.987 1.00 23.13 C ATOM 867 CG LYS A 138 17.392 35.994 42.584 1.00 26.93 C ATOM 868 CD LYS A 138 17.288 37.326 41.886 1.00 31.03 C ATOM 869 CE LYS A 138 15.833 37.656 41.598 1.00 34.07 C ATOM 870 NZ LYS A 138 15.013 37.622 42.844 1.00 34.28 N ATOM 0 H LYS A 138 20.884 34.647 43.798 1.00 20.88 H new ATOM 0 HA LYS A 138 18.431 34.586 44.698 1.00 21.80 H new ATOM 0 HB2 LYS A 138 19.195 36.434 43.457 1.00 23.13 H new ATOM 0 HB3 LYS A 138 19.353 35.540 42.189 1.00 23.13 H new ATOM 0 HG2 LYS A 138 17.058 35.296 41.999 1.00 26.93 H new ATOM 0 HG3 LYS A 138 16.827 35.998 43.372 1.00 26.93 H new ATOM 0 HD2 LYS A 138 17.681 38.020 42.439 1.00 31.03 H new ATOM 0 HD3 LYS A 138 17.792 37.305 41.057 1.00 31.03 H new ATOM 0 HE2 LYS A 138 15.773 38.535 41.192 1.00 34.07 H new ATOM 0 HE3 LYS A 138 15.476 37.022 40.956 1.00 34.07 H new ATOM 0 HZ1 LYS A 138 14.410 38.276 42.821 1.00 34.28 H new ATOM 0 HZ2 LYS A 138 14.597 36.838 42.905 1.00 34.28 H new ATOM 0 HZ3 LYS A 138 15.542 37.732 43.551 1.00 34.28 H new ATOM 871 N ILE A 139 19.089 32.556 42.351 1.00 19.81 N ATOM 872 CA ILE A 139 18.623 31.385 41.625 1.00 20.05 C ATOM 873 C ILE A 139 18.403 30.205 42.573 1.00 20.40 C ATOM 874 O ILE A 139 17.383 29.521 42.507 1.00 20.76 O ATOM 875 CB ILE A 139 19.654 30.940 40.561 1.00 20.10 C ATOM 876 CG1 ILE A 139 19.760 31.984 39.451 1.00 20.94 C ATOM 877 CG2 ILE A 139 19.261 29.591 39.992 1.00 21.54 C ATOM 878 CD1 ILE A 139 20.856 31.687 38.448 1.00 18.07 C ATOM 0 H ILE A 139 19.912 32.758 42.206 1.00 19.81 H new ATOM 0 HA ILE A 139 17.789 31.636 41.198 1.00 20.05 H new ATOM 0 HB ILE A 139 20.524 30.857 40.982 1.00 20.10 H new ATOM 0 HG12 ILE A 139 18.911 32.039 38.985 1.00 20.94 H new ATOM 0 HG13 ILE A 139 19.922 32.854 39.849 1.00 20.94 H new ATOM 0 HG21 ILE A 139 19.911 29.319 39.326 1.00 21.54 H new ATOM 0 HG22 ILE A 139 19.234 28.934 40.705 1.00 21.54 H new ATOM 0 HG23 ILE A 139 18.385 29.656 39.580 1.00 21.54 H new ATOM 0 HD11 ILE A 139 20.873 32.382 37.772 1.00 18.07 H new ATOM 0 HD12 ILE A 139 21.712 31.658 38.903 1.00 18.07 H new ATOM 0 HD13 ILE A 139 20.685 30.830 38.026 1.00 18.07 H new ATOM 879 N THR A 140 19.365 29.979 43.460 1.00 19.53 N ATOM 880 CA THR A 140 19.294 28.857 44.380 1.00 19.55 C ATOM 881 C THR A 140 18.364 29.018 45.574 1.00 19.96 C ATOM 882 O THR A 140 17.953 28.020 46.170 1.00 19.52 O ATOM 883 CB THR A 140 20.706 28.468 44.888 1.00 18.95 C ATOM 884 OG1 THR A 140 21.317 29.586 45.547 1.00 16.03 O ATOM 885 CG2 THR A 140 21.576 28.023 43.718 1.00 16.09 C ATOM 0 H THR A 140 20.069 30.466 43.544 1.00 19.53 H new ATOM 0 HA THR A 140 18.902 28.152 43.842 1.00 19.55 H new ATOM 0 HB THR A 140 20.621 27.736 45.518 1.00 18.95 H new ATOM 0 HG1 THR A 140 21.106 29.582 46.360 1.00 16.03 H new ATOM 0 HG21 THR A 140 22.457 27.781 44.043 1.00 16.09 H new ATOM 0 HG22 THR A 140 21.170 27.255 43.286 1.00 16.09 H new ATOM 0 HG23 THR A 140 21.655 28.749 43.079 1.00 16.09 H new ATOM 886 N ASN A 141 18.026 30.250 45.936 1.00 20.30 N ATOM 887 CA ASN A 141 17.130 30.441 47.073 1.00 20.86 C ATOM 888 C ASN A 141 15.746 29.868 46.792 1.00 19.46 C ATOM 889 O ASN A 141 15.047 29.451 47.714 1.00 19.47 O ATOM 890 CB ASN A 141 17.014 31.924 47.453 1.00 23.06 C ATOM 891 CG ASN A 141 18.180 32.401 48.307 1.00 24.45 C ATOM 892 OD1 ASN A 141 18.894 31.595 48.906 1.00 25.85 O ATOM 893 ND2 ASN A 141 18.366 33.714 48.379 1.00 25.71 N ATOM 0 H ASN A 141 18.294 30.970 45.551 1.00 20.30 H new ATOM 0 HA ASN A 141 17.517 29.961 47.822 1.00 20.86 H new ATOM 0 HB2 ASN A 141 16.969 32.459 46.645 1.00 23.06 H new ATOM 0 HB3 ASN A 141 16.184 32.067 47.935 1.00 23.06 H new ATOM 0 HD21 ASN A 141 19.005 34.032 48.858 1.00 25.71 H new ATOM 0 HD22 ASN A 141 17.847 34.246 47.947 1.00 25.71 H new ATOM 894 N PHE A 142 15.356 29.844 45.520 1.00 17.76 N ATOM 895 CA PHE A 142 14.056 29.304 45.137 1.00 17.39 C ATOM 896 C PHE A 142 13.931 27.843 45.563 1.00 17.67 C ATOM 897 O PHE A 142 12.833 27.353 45.831 1.00 15.66 O ATOM 898 CB PHE A 142 13.858 29.377 43.618 1.00 16.92 C ATOM 899 CG PHE A 142 13.599 30.758 43.095 1.00 15.68 C ATOM 900 CD1 PHE A 142 12.540 31.518 43.591 1.00 15.87 C ATOM 901 CD2 PHE A 142 14.399 31.293 42.091 1.00 14.69 C ATOM 902 CE1 PHE A 142 12.283 32.798 43.090 1.00 15.46 C ATOM 903 CE2 PHE A 142 14.152 32.569 41.582 1.00 15.69 C ATOM 904 CZ PHE A 142 13.092 33.323 42.082 1.00 15.79 C ATOM 0 H PHE A 142 15.830 30.136 44.864 1.00 17.76 H new ATOM 0 HA PHE A 142 13.381 29.839 45.583 1.00 17.39 H new ATOM 0 HB2 PHE A 142 14.648 29.020 43.182 1.00 16.92 H new ATOM 0 HB3 PHE A 142 13.115 28.805 43.371 1.00 16.92 H new ATOM 0 HD1 PHE A 142 11.999 31.170 44.262 1.00 15.87 H new ATOM 0 HD2 PHE A 142 15.108 30.794 41.754 1.00 14.69 H new ATOM 0 HE1 PHE A 142 11.575 33.298 43.428 1.00 15.46 H new ATOM 0 HE2 PHE A 142 14.694 32.915 40.910 1.00 15.69 H new ATOM 0 HZ PHE A 142 12.924 34.173 41.745 1.00 15.79 H new ATOM 905 N PHE A 143 15.063 27.151 45.626 1.00 17.67 N ATOM 906 CA PHE A 143 15.062 25.740 45.983 1.00 19.35 C ATOM 907 C PHE A 143 15.450 25.436 47.422 1.00 20.90 C ATOM 908 O PHE A 143 15.614 24.269 47.790 1.00 21.35 O ATOM 909 CB PHE A 143 15.973 24.988 45.021 1.00 18.78 C ATOM 910 CG PHE A 143 15.555 25.113 43.585 1.00 17.10 C ATOM 911 CD1 PHE A 143 14.647 24.218 43.030 1.00 16.90 C ATOM 912 CD2 PHE A 143 16.045 26.147 42.796 1.00 14.18 C ATOM 913 CE1 PHE A 143 14.234 24.349 41.705 1.00 16.67 C ATOM 914 CE2 PHE A 143 15.637 26.287 41.474 1.00 15.75 C ATOM 915 CZ PHE A 143 14.731 25.389 40.926 1.00 14.92 C ATOM 0 H PHE A 143 15.841 27.480 45.466 1.00 17.67 H new ATOM 0 HA PHE A 143 14.142 25.443 45.908 1.00 19.35 H new ATOM 0 HB2 PHE A 143 16.879 25.320 45.117 1.00 18.78 H new ATOM 0 HB3 PHE A 143 15.987 24.050 45.266 1.00 18.78 H new ATOM 0 HD1 PHE A 143 14.311 23.523 43.549 1.00 16.90 H new ATOM 0 HD2 PHE A 143 16.653 26.752 43.156 1.00 14.18 H new ATOM 0 HE1 PHE A 143 13.628 23.743 41.343 1.00 16.67 H new ATOM 0 HE2 PHE A 143 15.972 26.983 40.956 1.00 15.75 H new ATOM 0 HZ PHE A 143 14.458 25.482 40.042 1.00 14.92 H new ATOM 916 N ARG A 144 15.597 26.480 48.235 1.00 21.79 N ATOM 917 CA ARG A 144 15.948 26.302 49.638 1.00 23.01 C ATOM 918 C ARG A 144 14.946 25.370 50.305 1.00 23.27 C ATOM 919 O ARG A 144 13.754 25.408 50.001 1.00 22.03 O ATOM 920 CB ARG A 144 15.957 27.643 50.364 1.00 24.02 C ATOM 921 CG ARG A 144 17.238 28.431 50.199 1.00 26.33 C ATOM 922 CD ARG A 144 17.095 29.801 50.826 1.00 27.34 C ATOM 923 NE ARG A 144 16.316 29.742 52.059 1.00 28.54 N ATOM 924 CZ ARG A 144 16.242 30.736 52.936 1.00 29.95 C ATOM 925 NH1 ARG A 144 16.906 31.863 52.712 1.00 30.86 N ATOM 926 NH2 ARG A 144 15.508 30.606 54.031 1.00 30.09 N ATOM 0 H ARG A 144 15.497 27.299 47.992 1.00 21.79 H new ATOM 0 HA ARG A 144 16.836 25.915 49.686 1.00 23.01 H new ATOM 0 HB2 ARG A 144 15.216 28.179 50.041 1.00 24.02 H new ATOM 0 HB3 ARG A 144 15.804 27.488 51.309 1.00 24.02 H new ATOM 0 HG2 ARG A 144 17.974 27.954 50.613 1.00 26.33 H new ATOM 0 HG3 ARG A 144 17.452 28.520 49.257 1.00 26.33 H new ATOM 0 HD2 ARG A 144 17.974 30.166 51.013 1.00 27.34 H new ATOM 0 HD3 ARG A 144 16.666 30.403 50.198 1.00 27.34 H new ATOM 0 HE ARG A 144 15.879 29.021 52.227 1.00 28.54 H new ATOM 0 HH11 ARG A 144 17.382 31.948 52.001 1.00 30.86 H new ATOM 0 HH12 ARG A 144 16.860 32.509 53.278 1.00 30.86 H new ATOM 0 HH21 ARG A 144 15.077 29.876 54.176 1.00 30.09 H new ATOM 0 HH22 ARG A 144 15.462 31.252 54.597 1.00 30.09 H new ATOM 927 N GLY A 145 15.447 24.544 51.220 1.00 23.05 N ATOM 928 CA GLY A 145 14.612 23.585 51.917 1.00 24.60 C ATOM 929 C GLY A 145 13.231 24.058 52.330 1.00 25.96 C ATOM 930 O GLY A 145 12.275 23.278 52.308 1.00 25.52 O ATOM 0 H GLY A 145 16.276 24.527 51.450 1.00 23.05 H new ATOM 0 HA2 GLY A 145 14.508 22.805 51.350 1.00 24.60 H new ATOM 0 HA3 GLY A 145 15.084 23.295 52.714 1.00 24.60 H new ATOM 931 N ASP A 146 13.112 25.330 52.695 1.00 26.33 N ATOM 932 CA ASP A 146 11.829 25.863 53.139 1.00 27.38 C ATOM 933 C ASP A 146 10.982 26.533 52.056 1.00 26.61 C ATOM 934 O ASP A 146 9.820 26.854 52.298 1.00 27.76 O ATOM 935 CB ASP A 146 12.054 26.840 54.299 1.00 27.69 C ATOM 936 CG ASP A 146 12.763 28.115 53.864 1.00 29.11 C ATOM 937 OD1 ASP A 146 13.641 28.041 52.974 1.00 28.25 O ATOM 938 OD2 ASP A 146 12.450 29.190 54.423 1.00 28.97 O ATOM 0 H ASP A 146 13.758 25.898 52.693 1.00 26.33 H new ATOM 0 HA ASP A 146 11.314 25.090 53.418 1.00 27.38 H new ATOM 0 HB2 ASP A 146 11.198 27.069 54.695 1.00 27.69 H new ATOM 0 HB3 ASP A 146 12.577 26.402 54.989 1.00 27.69 H new ATOM 939 N ARG A 147 11.545 26.739 50.869 1.00 26.90 N ATOM 940 CA ARG A 147 10.798 27.382 49.786 1.00 27.61 C ATOM 941 C ARG A 147 10.323 26.396 48.724 1.00 26.83 C ATOM 942 O ARG A 147 9.385 26.679 47.979 1.00 28.03 O ATOM 943 CB ARG A 147 11.643 28.485 49.151 1.00 29.47 C ATOM 944 CG ARG A 147 12.089 29.509 50.173 1.00 31.59 C ATOM 945 CD ARG A 147 12.726 30.732 49.552 1.00 32.02 C ATOM 946 NE ARG A 147 13.176 31.650 50.597 1.00 33.78 N ATOM 947 CZ ARG A 147 13.817 32.791 50.372 1.00 33.88 C ATOM 948 NH1 ARG A 147 14.091 33.168 49.129 1.00 33.88 N ATOM 949 NH2 ARG A 147 14.190 33.552 51.392 1.00 32.39 N ATOM 0 H ARG A 147 12.351 26.517 50.669 1.00 26.90 H new ATOM 0 HA ARG A 147 10.001 27.768 50.181 1.00 27.61 H new ATOM 0 HB2 ARG A 147 12.421 28.092 48.726 1.00 29.47 H new ATOM 0 HB3 ARG A 147 11.131 28.925 48.455 1.00 29.47 H new ATOM 0 HG2 ARG A 147 11.324 29.784 50.702 1.00 31.59 H new ATOM 0 HG3 ARG A 147 12.721 29.096 50.782 1.00 31.59 H new ATOM 0 HD2 ARG A 147 13.477 30.468 48.998 1.00 32.02 H new ATOM 0 HD3 ARG A 147 12.089 31.178 48.972 1.00 32.02 H new ATOM 0 HE ARG A 147 13.014 31.436 51.414 1.00 33.78 H new ATOM 0 HH11 ARG A 147 13.853 32.673 48.467 1.00 33.88 H new ATOM 0 HH12 ARG A 147 14.506 33.907 48.986 1.00 33.88 H new ATOM 0 HH21 ARG A 147 14.017 33.306 52.198 1.00 32.39 H new ATOM 0 HH22 ARG A 147 14.605 34.291 51.248 1.00 32.39 H new ATOM 950 N CYS A 148 10.974 25.242 48.655 1.00 24.07 N ATOM 951 CA CYS A 148 10.587 24.205 47.709 1.00 22.76 C ATOM 952 C CYS A 148 10.478 22.918 48.514 1.00 22.98 C ATOM 953 O CYS A 148 11.391 22.088 48.529 1.00 23.43 O ATOM 954 CB CYS A 148 11.630 24.052 46.607 1.00 21.18 C ATOM 955 SG CYS A 148 11.087 22.943 45.296 1.00 17.89 S ATOM 0 H CYS A 148 11.647 25.039 49.151 1.00 24.07 H new ATOM 0 HA CYS A 148 9.749 24.428 47.274 1.00 22.76 H new ATOM 0 HB2 CYS A 148 11.827 24.923 46.229 1.00 21.18 H new ATOM 0 HB3 CYS A 148 12.455 23.716 46.991 1.00 21.18 H new ATOM 0 HG CYS A 148 10.385 23.543 44.529 1.00 17.89 H new ATOM 956 N ARG A 149 9.344 22.764 49.184 1.00 22.53 N ATOM 957 CA ARG A 149 9.104 21.613 50.040 1.00 21.93 C ATOM 958 C ARG A 149 9.168 20.244 49.373 1.00 18.68 C ATOM 959 O ARG A 149 9.614 19.285 49.996 1.00 18.05 O ATOM 960 CB ARG A 149 7.763 21.782 50.762 1.00 24.34 C ATOM 961 CG ARG A 149 7.632 23.115 51.492 1.00 30.79 C ATOM 962 CD ARG A 149 8.624 23.267 52.648 1.00 33.82 C ATOM 963 NE ARG A 149 8.210 22.522 53.837 1.00 38.17 N ATOM 964 CZ ARG A 149 8.499 21.244 54.072 1.00 41.20 C ATOM 965 NH1 ARG A 149 9.222 20.543 53.203 1.00 41.09 N ATOM 966 NH2 ARG A 149 8.052 20.661 55.179 1.00 41.57 N ATOM 0 H ARG A 149 8.692 23.324 49.155 1.00 22.53 H new ATOM 0 HA ARG A 149 9.850 21.609 50.660 1.00 21.93 H new ATOM 0 HB2 ARG A 149 7.043 21.702 50.116 1.00 24.34 H new ATOM 0 HB3 ARG A 149 7.653 21.059 51.400 1.00 24.34 H new ATOM 0 HG2 ARG A 149 7.767 23.838 50.860 1.00 30.79 H new ATOM 0 HG3 ARG A 149 6.729 23.203 51.835 1.00 30.79 H new ATOM 0 HD2 ARG A 149 9.498 22.958 52.364 1.00 33.82 H new ATOM 0 HD3 ARG A 149 8.714 24.206 52.873 1.00 33.82 H new ATOM 0 HE ARG A 149 7.746 22.941 54.428 1.00 38.17 H new ATOM 0 HH11 ARG A 149 9.507 20.915 52.482 1.00 41.09 H new ATOM 0 HH12 ARG A 149 9.404 19.718 53.362 1.00 41.09 H new ATOM 0 HH21 ARG A 149 7.578 21.109 55.740 1.00 41.57 H new ATOM 0 HH22 ARG A 149 8.236 19.836 55.335 1.00 41.57 H new ATOM 967 N SER A 150 8.728 20.129 48.124 1.00 16.32 N ATOM 968 CA SER A 150 8.782 18.823 47.472 1.00 16.51 C ATOM 969 C SER A 150 10.216 18.356 47.169 1.00 16.52 C ATOM 970 O SER A 150 10.425 17.223 46.732 1.00 16.32 O ATOM 971 CB SER A 150 7.920 18.806 46.199 1.00 13.53 C ATOM 972 OG SER A 150 8.270 19.836 45.300 1.00 15.58 O ATOM 0 H SER A 150 8.405 20.769 47.650 1.00 16.32 H new ATOM 0 HA SER A 150 8.415 18.188 48.106 1.00 16.51 H new ATOM 0 HB2 SER A 150 8.016 17.948 45.757 1.00 13.53 H new ATOM 0 HB3 SER A 150 6.985 18.896 46.443 1.00 13.53 H new ATOM 0 HG SER A 150 7.781 20.505 45.436 1.00 15.58 H new ATOM 973 N LEU A 151 11.202 19.224 47.407 1.00 16.14 N ATOM 974 CA LEU A 151 12.603 18.864 47.185 1.00 15.56 C ATOM 975 C LEU A 151 13.367 18.790 48.504 1.00 15.98 C ATOM 976 O LEU A 151 14.537 18.410 48.539 1.00 17.75 O ATOM 977 CB LEU A 151 13.292 19.865 46.253 1.00 13.19 C ATOM 978 CG LEU A 151 12.987 19.727 44.757 1.00 14.73 C ATOM 979 CD1 LEU A 151 13.811 20.743 43.988 1.00 14.47 C ATOM 980 CD2 LEU A 151 13.310 18.319 44.273 1.00 11.55 C ATOM 0 H LEU A 151 11.080 20.025 47.697 1.00 16.14 H new ATOM 0 HA LEU A 151 12.610 17.989 46.766 1.00 15.56 H new ATOM 0 HB2 LEU A 151 13.044 20.760 46.532 1.00 13.19 H new ATOM 0 HB3 LEU A 151 14.251 19.785 46.376 1.00 13.19 H new ATOM 0 HG LEU A 151 12.043 19.890 44.607 1.00 14.73 H new ATOM 0 HD11 LEU A 151 13.623 20.661 43.040 1.00 14.47 H new ATOM 0 HD12 LEU A 151 13.583 21.637 44.287 1.00 14.47 H new ATOM 0 HD13 LEU A 151 14.754 20.581 44.145 1.00 14.47 H new ATOM 0 HD21 LEU A 151 13.112 18.249 43.326 1.00 11.55 H new ATOM 0 HD22 LEU A 151 14.251 18.134 44.421 1.00 11.55 H new ATOM 0 HD23 LEU A 151 12.774 17.677 44.764 1.00 11.55 H new ATOM 981 N THR A 152 12.699 19.154 49.591 1.00 15.69 N ATOM 982 CA THR A 152 13.319 19.117 50.911 1.00 16.32 C ATOM 983 C THR A 152 13.842 17.716 51.209 1.00 16.13 C ATOM 984 O THR A 152 13.119 16.733 51.038 1.00 17.08 O ATOM 985 CB THR A 152 12.311 19.494 52.003 1.00 15.30 C ATOM 986 OG1 THR A 152 11.701 20.748 51.674 1.00 17.08 O ATOM 987 CG2 THR A 152 13.010 19.610 53.345 1.00 13.67 C ATOM 0 H THR A 152 11.883 19.426 49.587 1.00 15.69 H new ATOM 0 HA THR A 152 14.049 19.756 50.908 1.00 16.32 H new ATOM 0 HB THR A 152 11.633 18.803 52.059 1.00 15.30 H new ATOM 0 HG1 THR A 152 12.129 21.372 52.038 1.00 17.08 H new ATOM 0 HG21 THR A 152 12.363 19.849 54.027 1.00 13.67 H new ATOM 0 HG22 THR A 152 13.420 18.760 53.571 1.00 13.67 H new ATOM 0 HG23 THR A 152 13.695 20.295 53.295 1.00 13.67 H new ATOM 988 N GLY A 153 15.093 17.629 51.657 1.00 14.04 N ATOM 989 CA GLY A 153 15.680 16.338 51.964 1.00 12.19 C ATOM 990 C GLY A 153 16.181 15.631 50.713 1.00 12.26 C ATOM 991 O GLY A 153 16.686 14.507 50.776 1.00 12.90 O ATOM 0 H GLY A 153 15.611 18.303 51.788 1.00 14.04 H new ATOM 0 HA2 GLY A 153 16.416 16.457 52.585 1.00 12.19 H new ATOM 0 HA3 GLY A 153 15.022 15.781 52.408 1.00 12.19 H new ATOM 992 N LYS A 154 16.042 16.290 49.570 1.00 9.76 N ATOM 993 CA LYS A 154 16.483 15.721 48.304 1.00 12.09 C ATOM 994 C LYS A 154 17.683 16.496 47.752 1.00 11.63 C ATOM 995 O LYS A 154 17.784 17.711 47.928 1.00 10.47 O ATOM 996 CB LYS A 154 15.333 15.742 47.290 1.00 10.92 C ATOM 997 CG LYS A 154 14.122 14.916 47.715 1.00 12.12 C ATOM 998 CD LYS A 154 12.993 15.030 46.700 1.00 13.24 C ATOM 999 CE LYS A 154 11.805 14.166 47.079 1.00 12.49 C ATOM 1000 NZ LYS A 154 10.708 14.309 46.078 1.00 12.33 N ATOM 0 H LYS A 154 15.692 17.073 49.506 1.00 9.76 H new ATOM 0 HA LYS A 154 16.755 14.803 48.458 1.00 12.09 H new ATOM 0 HB2 LYS A 154 15.054 16.660 47.149 1.00 10.92 H new ATOM 0 HB3 LYS A 154 15.658 15.410 46.438 1.00 10.92 H new ATOM 0 HG2 LYS A 154 14.380 13.986 47.812 1.00 12.12 H new ATOM 0 HG3 LYS A 154 13.811 15.217 48.583 1.00 12.12 H new ATOM 0 HD2 LYS A 154 12.711 15.956 46.632 1.00 13.24 H new ATOM 0 HD3 LYS A 154 13.318 14.768 45.824 1.00 13.24 H new ATOM 0 HE2 LYS A 154 12.079 13.237 47.135 1.00 12.49 H new ATOM 0 HE3 LYS A 154 11.482 14.419 47.958 1.00 12.49 H new ATOM 0 HZ1 LYS A 154 10.015 13.808 46.323 1.00 12.33 H new ATOM 0 HZ2 LYS A 154 10.456 15.161 46.033 1.00 12.33 H new ATOM 0 HZ3 LYS A 154 10.998 14.043 45.280 1.00 12.33 H new ATOM 1001 N PRO A 155 18.611 15.795 47.082 1.00 11.50 N ATOM 1002 CA PRO A 155 19.799 16.438 46.514 1.00 11.30 C ATOM 1003 C PRO A 155 19.457 17.419 45.401 1.00 11.98 C ATOM 1004 O PRO A 155 18.786 17.069 44.432 1.00 12.04 O ATOM 1005 CB PRO A 155 20.632 15.258 46.023 1.00 8.55 C ATOM 1006 CG PRO A 155 19.588 14.246 45.654 1.00 10.68 C ATOM 1007 CD PRO A 155 18.616 14.347 46.810 1.00 11.27 C ATOM 0 HA PRO A 155 20.273 16.988 47.158 1.00 11.30 H new ATOM 0 HB2 PRO A 155 21.185 15.499 45.263 1.00 8.55 H new ATOM 0 HB3 PRO A 155 21.228 14.926 46.713 1.00 8.55 H new ATOM 0 HG2 PRO A 155 19.165 14.455 44.807 1.00 10.68 H new ATOM 0 HG3 PRO A 155 19.961 13.354 45.572 1.00 10.68 H new ATOM 0 HD2 PRO A 155 17.734 14.019 46.573 1.00 11.27 H new ATOM 0 HD3 PRO A 155 18.912 13.834 47.579 1.00 11.27 H new ATOM 1008 N LYS A 156 19.925 18.651 45.564 1.00 11.25 N ATOM 1009 CA LYS A 156 19.695 19.716 44.603 1.00 11.84 C ATOM 1010 C LYS A 156 21.060 20.099 44.040 1.00 12.02 C ATOM 1011 O LYS A 156 21.863 20.733 44.721 1.00 13.56 O ATOM 1012 CB LYS A 156 19.031 20.894 45.319 1.00 12.76 C ATOM 1013 CG LYS A 156 17.653 20.544 45.880 1.00 14.16 C ATOM 1014 CD LYS A 156 17.081 21.660 46.746 1.00 15.52 C ATOM 1015 CE LYS A 156 17.522 21.525 48.193 1.00 16.64 C ATOM 1016 NZ LYS A 156 16.974 20.294 48.826 1.00 15.10 N ATOM 0 H LYS A 156 20.391 18.893 46.245 1.00 11.25 H new ATOM 0 HA LYS A 156 19.107 19.443 43.881 1.00 11.84 H new ATOM 0 HB2 LYS A 156 19.604 21.192 46.042 1.00 12.76 H new ATOM 0 HB3 LYS A 156 18.945 21.636 44.701 1.00 12.76 H new ATOM 0 HG2 LYS A 156 17.044 20.362 45.147 1.00 14.16 H new ATOM 0 HG3 LYS A 156 17.717 19.731 46.405 1.00 14.16 H new ATOM 0 HD2 LYS A 156 17.367 22.519 46.398 1.00 15.52 H new ATOM 0 HD3 LYS A 156 16.112 21.643 46.699 1.00 15.52 H new ATOM 0 HE2 LYS A 156 18.491 21.507 48.235 1.00 16.64 H new ATOM 0 HE3 LYS A 156 17.231 22.303 48.694 1.00 16.64 H new ATOM 0 HZ1 LYS A 156 17.022 20.369 49.712 1.00 15.10 H new ATOM 0 HZ2 LYS A 156 16.124 20.188 48.583 1.00 15.10 H new ATOM 0 HZ3 LYS A 156 17.447 19.588 48.562 1.00 15.10 H new ATOM 1017 N LEU A 157 21.312 19.720 42.790 1.00 11.28 N ATOM 1018 CA LEU A 157 22.606 19.959 42.162 1.00 10.96 C ATOM 1019 C LEU A 157 22.698 21.123 41.179 1.00 11.12 C ATOM 1020 O LEU A 157 21.848 21.289 40.308 1.00 11.58 O ATOM 1021 CB LEU A 157 23.057 18.683 41.442 1.00 10.35 C ATOM 1022 CG LEU A 157 22.753 17.344 42.124 1.00 12.60 C ATOM 1023 CD1 LEU A 157 23.293 16.209 41.268 1.00 12.35 C ATOM 1024 CD2 LEU A 157 23.368 17.310 43.517 1.00 13.34 C ATOM 0 H LEU A 157 20.742 19.320 42.286 1.00 11.28 H new ATOM 0 HA LEU A 157 23.182 20.212 42.900 1.00 10.96 H new ATOM 0 HB2 LEU A 157 22.645 18.673 40.564 1.00 10.35 H new ATOM 0 HB3 LEU A 157 24.016 18.739 41.305 1.00 10.35 H new ATOM 0 HG LEU A 157 21.793 17.239 42.217 1.00 12.60 H new ATOM 0 HD11 LEU A 157 23.102 15.360 41.697 1.00 12.35 H new ATOM 0 HD12 LEU A 157 22.870 16.232 40.395 1.00 12.35 H new ATOM 0 HD13 LEU A 157 24.252 16.310 41.164 1.00 12.35 H new ATOM 0 HD21 LEU A 157 23.169 16.459 43.938 1.00 13.34 H new ATOM 0 HD22 LEU A 157 24.329 17.420 43.449 1.00 13.34 H new ATOM 0 HD23 LEU A 157 22.998 18.029 44.052 1.00 13.34 H new ATOM 1025 N PHE A 158 23.759 21.910 41.314 1.00 10.43 N ATOM 1026 CA PHE A 158 23.999 23.034 40.427 1.00 12.06 C ATOM 1027 C PHE A 158 25.400 22.929 39.833 1.00 13.02 C ATOM 1028 O PHE A 158 26.394 23.078 40.542 1.00 13.08 O ATOM 1029 CB PHE A 158 23.827 24.354 41.180 1.00 12.75 C ATOM 1030 CG PHE A 158 22.401 24.640 41.569 1.00 15.87 C ATOM 1031 CD1 PHE A 158 21.804 23.965 42.633 1.00 15.37 C ATOM 1032 CD2 PHE A 158 21.634 25.540 40.833 1.00 16.30 C ATOM 1033 CE1 PHE A 158 20.465 24.176 42.959 1.00 15.49 C ATOM 1034 CE2 PHE A 158 20.291 25.758 41.150 1.00 19.08 C ATOM 1035 CZ PHE A 158 19.706 25.071 42.219 1.00 16.55 C ATOM 0 H PHE A 158 24.358 21.806 41.922 1.00 10.43 H new ATOM 0 HA PHE A 158 23.351 23.014 39.705 1.00 12.06 H new ATOM 0 HB2 PHE A 158 24.376 24.336 41.980 1.00 12.75 H new ATOM 0 HB3 PHE A 158 24.156 25.079 40.626 1.00 12.75 H new ATOM 0 HD1 PHE A 158 22.307 23.364 43.133 1.00 15.37 H new ATOM 0 HD2 PHE A 158 22.020 26.001 40.123 1.00 16.30 H new ATOM 0 HE1 PHE A 158 20.081 23.718 43.671 1.00 15.49 H new ATOM 0 HE2 PHE A 158 19.786 26.359 40.651 1.00 19.08 H new ATOM 0 HZ PHE A 158 18.812 25.214 42.433 1.00 16.55 H new ATOM 1036 N ILE A 159 25.458 22.643 38.532 1.00 13.62 N ATOM 1037 CA ILE A 159 26.712 22.503 37.788 1.00 13.81 C ATOM 1038 C ILE A 159 26.942 23.855 37.131 1.00 13.85 C ATOM 1039 O ILE A 159 26.101 24.323 36.365 1.00 14.91 O ATOM 1040 CB ILE A 159 26.590 21.410 36.700 1.00 14.50 C ATOM 1041 CG1 ILE A 159 26.036 20.126 37.317 1.00 15.81 C ATOM 1042 CG2 ILE A 159 27.944 21.123 36.073 1.00 13.16 C ATOM 1043 CD1 ILE A 159 26.854 19.581 38.468 1.00 20.56 C ATOM 0 H ILE A 159 24.757 22.523 38.048 1.00 13.62 H new ATOM 0 HA ILE A 159 27.442 22.244 38.372 1.00 13.81 H new ATOM 0 HB ILE A 159 25.987 21.730 36.011 1.00 14.50 H new ATOM 0 HG12 ILE A 159 25.132 20.293 37.628 1.00 15.81 H new ATOM 0 HG13 ILE A 159 25.978 19.447 36.626 1.00 15.81 H new ATOM 0 HG21 ILE A 159 27.848 20.436 35.395 1.00 13.16 H new ATOM 0 HG22 ILE A 159 28.291 21.933 35.666 1.00 13.16 H new ATOM 0 HG23 ILE A 159 28.559 20.816 36.757 1.00 13.16 H new ATOM 0 HD11 ILE A 159 26.441 18.770 38.804 1.00 20.56 H new ATOM 0 HD12 ILE A 159 27.752 19.382 38.161 1.00 20.56 H new ATOM 0 HD13 ILE A 159 26.894 20.241 39.178 1.00 20.56 H new ATOM 1044 N ILE A 160 28.084 24.474 37.408 1.00 13.66 N ATOM 1045 CA ILE A 160 28.338 25.809 36.885 1.00 13.88 C ATOM 1046 C ILE A 160 29.605 26.041 36.073 1.00 14.32 C ATOM 1047 O ILE A 160 30.711 26.035 36.607 1.00 14.90 O ATOM 1048 CB ILE A 160 28.327 26.820 38.044 1.00 13.92 C ATOM 1049 CG1 ILE A 160 27.055 26.627 38.874 1.00 14.24 C ATOM 1050 CG2 ILE A 160 28.396 28.240 37.505 1.00 15.86 C ATOM 1051 CD1 ILE A 160 27.091 27.286 40.225 1.00 13.11 C ATOM 0 H ILE A 160 28.716 24.144 37.889 1.00 13.66 H new ATOM 0 HA ILE A 160 27.619 25.927 36.245 1.00 13.88 H new ATOM 0 HB ILE A 160 29.102 26.670 38.608 1.00 13.92 H new ATOM 0 HG12 ILE A 160 26.300 26.977 38.375 1.00 14.24 H new ATOM 0 HG13 ILE A 160 26.900 25.677 38.993 1.00 14.24 H new ATOM 0 HG21 ILE A 160 28.388 28.868 38.244 1.00 15.86 H new ATOM 0 HG22 ILE A 160 29.213 28.353 36.994 1.00 15.86 H new ATOM 0 HG23 ILE A 160 27.631 28.406 36.932 1.00 15.86 H new ATOM 0 HD11 ILE A 160 26.255 27.120 40.688 1.00 13.11 H new ATOM 0 HD12 ILE A 160 27.825 26.922 40.743 1.00 13.11 H new ATOM 0 HD13 ILE A 160 27.216 28.242 40.116 1.00 13.11 H new ATOM 1052 N GLN A 161 29.434 26.255 34.774 1.00 14.03 N ATOM 1053 CA GLN A 161 30.562 26.542 33.898 1.00 13.92 C ATOM 1054 C GLN A 161 30.566 28.058 33.710 1.00 13.32 C ATOM 1055 O GLN A 161 29.770 28.594 32.938 1.00 12.13 O ATOM 1056 CB GLN A 161 30.393 25.838 32.546 1.00 13.16 C ATOM 1057 CG GLN A 161 31.371 26.290 31.455 1.00 12.36 C ATOM 1058 CD GLN A 161 32.823 26.265 31.904 1.00 14.61 C ATOM 1059 OE1 GLN A 161 33.328 25.239 32.355 1.00 15.79 O ATOM 1060 NE2 GLN A 161 33.502 27.398 31.778 1.00 14.24 N ATOM 0 H GLN A 161 28.670 26.238 34.379 1.00 14.03 H new ATOM 0 HA GLN A 161 31.395 26.224 34.279 1.00 13.92 H new ATOM 0 HB2 GLN A 161 30.496 24.883 32.679 1.00 13.16 H new ATOM 0 HB3 GLN A 161 29.487 25.985 32.231 1.00 13.16 H new ATOM 0 HG2 GLN A 161 31.269 25.717 30.679 1.00 12.36 H new ATOM 0 HG3 GLN A 161 31.141 27.190 31.175 1.00 12.36 H new ATOM 0 HE21 GLN A 161 33.116 28.097 31.458 1.00 14.24 H new ATOM 0 HE22 GLN A 161 34.328 27.433 32.016 1.00 14.24 H new ATOM 1061 N ALA A 162 31.446 28.742 34.438 1.00 12.53 N ATOM 1062 CA ALA A 162 31.551 30.197 34.364 1.00 11.90 C ATOM 1063 C ALA A 162 32.720 30.681 35.206 1.00 13.63 C ATOM 1064 O ALA A 162 33.140 30.007 36.146 1.00 14.57 O ATOM 1065 CB ALA A 162 30.270 30.839 34.861 1.00 6.91 C ATOM 0 H ALA A 162 31.998 28.376 34.987 1.00 12.53 H new ATOM 0 HA ALA A 162 31.697 30.449 33.439 1.00 11.90 H new ATOM 0 HB1 ALA A 162 30.350 31.804 34.808 1.00 6.91 H new ATOM 0 HB2 ALA A 162 29.526 30.546 34.311 1.00 6.91 H new ATOM 0 HB3 ALA A 162 30.113 30.578 35.782 1.00 6.91 H new ATOM 1066 N CYS A 163 33.234 31.857 34.864 1.00 14.46 N ATOM 1067 CA CYS A 163 34.348 32.447 35.586 1.00 17.10 C ATOM 1068 C CYS A 163 33.923 32.788 37.003 1.00 16.79 C ATOM 1069 O CYS A 163 32.745 33.050 37.251 1.00 16.10 O ATOM 1070 CB CYS A 163 34.818 33.722 34.887 1.00 20.16 C ATOM 1071 SG CYS A 163 35.669 33.450 33.337 1.00 22.38 S ATOM 0 H CYS A 163 32.946 32.333 34.208 1.00 14.46 H new ATOM 0 HA CYS A 163 35.075 31.805 35.607 1.00 17.10 H new ATOM 0 HB2 CYS A 163 34.049 34.290 34.725 1.00 20.16 H new ATOM 0 HB3 CYS A 163 35.408 34.207 35.486 1.00 20.16 H new ATOM 1072 N ARG A 164 34.885 32.776 37.926 1.00 15.76 N ATOM 1073 CA ARG A 164 34.633 33.112 39.324 1.00 15.96 C ATOM 1074 C ARG A 164 35.625 34.194 39.753 1.00 17.17 C ATOM 1075 O ARG A 164 35.832 34.436 40.940 1.00 17.85 O ATOM 1076 CB ARG A 164 34.802 31.883 40.215 1.00 14.53 C ATOM 1077 CG ARG A 164 33.864 30.741 39.892 1.00 14.16 C ATOM 1078 CD ARG A 164 34.046 29.600 40.876 1.00 14.45 C ATOM 1079 NE ARG A 164 33.637 29.975 42.228 1.00 15.59 N ATOM 1080 CZ ARG A 164 33.838 29.220 43.303 1.00 17.31 C ATOM 1081 NH1 ARG A 164 34.446 28.042 43.189 1.00 17.13 N ATOM 1082 NH2 ARG A 164 33.434 29.642 44.493 1.00 14.99 N ATOM 0 H ARG A 164 35.703 32.572 37.757 1.00 15.76 H new ATOM 0 HA ARG A 164 33.722 33.432 39.416 1.00 15.96 H new ATOM 0 HB2 ARG A 164 35.716 31.567 40.141 1.00 14.53 H new ATOM 0 HB3 ARG A 164 34.667 32.146 41.139 1.00 14.53 H new ATOM 0 HG2 ARG A 164 32.946 31.053 39.919 1.00 14.16 H new ATOM 0 HG3 ARG A 164 34.030 30.425 38.990 1.00 14.16 H new ATOM 0 HD2 ARG A 164 33.528 28.835 40.582 1.00 14.45 H new ATOM 0 HD3 ARG A 164 34.976 29.326 40.884 1.00 14.45 H new ATOM 0 HE ARG A 164 33.242 30.731 42.335 1.00 15.59 H new ATOM 0 HH11 ARG A 164 34.710 27.767 42.418 1.00 17.13 H new ATOM 0 HH12 ARG A 164 34.575 27.555 43.886 1.00 17.13 H new ATOM 0 HH21 ARG A 164 33.042 30.404 44.569 1.00 14.99 H new ATOM 0 HH22 ARG A 164 33.564 29.154 45.189 1.00 14.99 H new ATOM 1083 N GLY A 165 36.231 34.844 38.766 1.00 18.36 N ATOM 1084 CA GLY A 165 37.206 35.881 39.036 1.00 18.76 C ATOM 1085 C GLY A 165 38.094 36.063 37.820 1.00 20.47 C ATOM 1086 O GLY A 165 37.784 35.561 36.739 1.00 18.82 O ATOM 0 H GLY A 165 36.088 34.696 37.931 1.00 18.36 H new ATOM 0 HA2 GLY A 165 36.757 36.714 39.249 1.00 18.76 H new ATOM 0 HA3 GLY A 165 37.742 35.642 39.808 1.00 18.76 H new ATOM 1087 N THR A 166 39.208 36.766 37.996 1.00 22.07 N ATOM 1088 CA THR A 166 40.125 37.017 36.893 1.00 22.20 C ATOM 1089 C THR A 166 41.538 36.502 37.144 1.00 22.71 C ATOM 1090 O THR A 166 42.490 36.925 36.487 1.00 24.25 O ATOM 1091 CB THR A 166 40.195 38.519 36.590 1.00 23.22 C ATOM 1092 OG1 THR A 166 40.594 39.232 37.770 1.00 21.83 O ATOM 1093 CG2 THR A 166 38.846 39.018 36.143 1.00 21.10 C ATOM 0 H THR A 166 39.450 37.106 38.748 1.00 22.07 H new ATOM 0 HA THR A 166 39.767 36.527 36.136 1.00 22.20 H new ATOM 0 HB THR A 166 40.843 38.667 35.884 1.00 23.22 H new ATOM 0 HG1 THR A 166 41.411 39.100 37.915 1.00 21.83 H new ATOM 0 HG21 THR A 166 38.899 39.968 35.954 1.00 21.10 H new ATOM 0 HG22 THR A 166 38.574 38.543 35.342 1.00 21.10 H new ATOM 0 HG23 THR A 166 38.195 38.865 36.845 1.00 21.10 H new ATOM 1094 N GLU A 167 41.686 35.596 38.097 1.00 23.54 N ATOM 1095 CA GLU A 167 43.004 35.047 38.379 1.00 24.96 C ATOM 1096 C GLU A 167 43.352 33.927 37.401 1.00 23.83 C ATOM 1097 O GLU A 167 42.478 33.193 36.938 1.00 22.98 O ATOM 1098 CB GLU A 167 43.070 34.528 39.814 1.00 27.39 C ATOM 1099 CG GLU A 167 43.005 35.625 40.859 1.00 31.27 C ATOM 1100 CD GLU A 167 43.246 35.099 42.257 1.00 35.04 C ATOM 1101 OE1 GLU A 167 44.332 34.523 42.494 1.00 34.63 O ATOM 1102 OE2 GLU A 167 42.351 35.261 43.117 1.00 37.42 O ATOM 0 H GLU A 167 41.049 35.289 38.586 1.00 23.54 H new ATOM 0 HA GLU A 167 43.653 35.759 38.271 1.00 24.96 H new ATOM 0 HB2 GLU A 167 42.338 33.909 39.960 1.00 27.39 H new ATOM 0 HB3 GLU A 167 43.893 34.028 39.932 1.00 27.39 H new ATOM 0 HG2 GLU A 167 43.665 36.305 40.653 1.00 31.27 H new ATOM 0 HG3 GLU A 167 42.136 36.053 40.822 1.00 31.27 H new ATOM 1103 N LEU A 168 44.636 33.812 37.082 1.00 23.63 N ATOM 1104 CA LEU A 168 45.117 32.786 36.165 1.00 24.01 C ATOM 1105 C LEU A 168 46.047 31.851 36.903 1.00 23.50 C ATOM 1106 O LEU A 168 46.891 32.288 37.683 1.00 24.63 O ATOM 1107 CB LEU A 168 45.860 33.431 34.997 1.00 24.67 C ATOM 1108 CG LEU A 168 44.943 34.222 34.064 1.00 26.93 C ATOM 1109 CD1 LEU A 168 45.736 35.274 33.296 1.00 27.07 C ATOM 1110 CD2 LEU A 168 44.238 33.248 33.126 1.00 24.07 C ATOM 0 H LEU A 168 45.253 34.326 37.391 1.00 23.63 H new ATOM 0 HA LEU A 168 44.360 32.288 35.819 1.00 24.01 H new ATOM 0 HB2 LEU A 168 46.546 34.022 35.344 1.00 24.67 H new ATOM 0 HB3 LEU A 168 46.312 32.740 34.488 1.00 24.67 H new ATOM 0 HG LEU A 168 44.274 34.697 34.581 1.00 26.93 H new ATOM 0 HD11 LEU A 168 45.139 35.765 32.710 1.00 27.07 H new ATOM 0 HD12 LEU A 168 46.151 35.888 33.922 1.00 27.07 H new ATOM 0 HD13 LEU A 168 46.423 34.839 32.767 1.00 27.07 H new ATOM 0 HD21 LEU A 168 43.653 33.740 32.529 1.00 24.07 H new ATOM 0 HD22 LEU A 168 44.898 32.765 32.605 1.00 24.07 H new ATOM 0 HD23 LEU A 168 43.714 32.619 33.646 1.00 24.07 H new ATOM 1111 N ASP A 169 45.885 30.559 36.659 1.00 23.61 N ATOM 1112 CA ASP A 169 46.718 29.560 37.308 1.00 23.82 C ATOM 1113 C ASP A 169 47.862 29.207 36.357 1.00 24.39 C ATOM 1114 O ASP A 169 47.629 28.716 35.245 1.00 23.82 O ATOM 1115 CB ASP A 169 45.885 28.313 37.618 1.00 24.19 C ATOM 1116 CG ASP A 169 46.557 27.394 38.611 1.00 25.26 C ATOM 1117 OD1 ASP A 169 47.740 27.054 38.410 1.00 26.73 O ATOM 1118 OD2 ASP A 169 45.895 27.003 39.595 1.00 27.62 O ATOM 0 H ASP A 169 45.297 30.239 36.119 1.00 23.61 H new ATOM 0 HA ASP A 169 47.073 29.905 38.142 1.00 23.82 H new ATOM 0 HB2 ASP A 169 45.022 28.584 37.967 1.00 24.19 H new ATOM 0 HB3 ASP A 169 45.718 27.827 36.795 1.00 24.19 H new ATOM 1119 N CYS A 170 49.093 29.466 36.792 1.00 23.61 N ATOM 1120 CA CYS A 170 50.265 29.175 35.975 1.00 24.17 C ATOM 1121 C CYS A 170 50.697 27.725 36.103 1.00 22.72 C ATOM 1122 O CYS A 170 51.524 27.246 35.329 1.00 20.00 O ATOM 1123 CB CYS A 170 51.418 30.099 36.359 1.00 25.50 C ATOM 1124 SG CYS A 170 51.102 31.815 35.911 1.00 34.45 S ATOM 0 H CYS A 170 49.270 29.811 37.560 1.00 23.61 H new ATOM 0 HA CYS A 170 50.021 29.330 35.049 1.00 24.17 H new ATOM 0 HB2 CYS A 170 51.572 30.040 37.315 1.00 25.50 H new ATOM 0 HB3 CYS A 170 52.230 29.798 35.922 1.00 25.50 H new ATOM 0 HG CYS A 170 52.037 32.493 36.237 1.00 34.45 H new ATOM 1125 N GLY A 171 50.124 27.034 37.086 1.00 21.92 N ATOM 1126 CA GLY A 171 50.442 25.638 37.308 1.00 21.95 C ATOM 1127 C GLY A 171 51.880 25.398 37.726 1.00 24.18 C ATOM 1128 O GLY A 171 52.682 26.330 37.835 1.00 22.92 O ATOM 0 H GLY A 171 49.548 27.361 37.634 1.00 21.92 H new ATOM 0 HA2 GLY A 171 49.852 25.285 37.992 1.00 21.95 H new ATOM 0 HA3 GLY A 171 50.263 25.141 36.495 1.00 21.95 H new ATOM 1129 N ILE A 172 52.202 24.134 37.973 1.00 24.45 N ATOM 1130 CA ILE A 172 53.544 23.746 38.369 1.00 25.63 C ATOM 1131 C ILE A 172 53.853 22.411 37.707 1.00 28.06 C ATOM 1132 O ILE A 172 52.981 21.552 37.583 1.00 26.06 O ATOM 1133 CB ILE A 172 53.665 23.634 39.915 1.00 25.66 C ATOM 1134 CG1 ILE A 172 55.055 23.131 40.300 1.00 23.50 C ATOM 1135 CG2 ILE A 172 52.576 22.751 40.468 1.00 24.00 C ATOM 1136 CD1 ILE A 172 56.162 24.127 39.988 1.00 26.58 C ATOM 0 H ILE A 172 51.647 23.479 37.915 1.00 24.45 H new ATOM 0 HA ILE A 172 54.181 24.421 38.085 1.00 25.63 H new ATOM 0 HB ILE A 172 53.551 24.514 40.307 1.00 25.66 H new ATOM 0 HG12 ILE A 172 55.068 22.929 41.249 1.00 23.50 H new ATOM 0 HG13 ILE A 172 55.233 22.301 39.831 1.00 23.50 H new ATOM 0 HG21 ILE A 172 52.666 22.692 41.432 1.00 24.00 H new ATOM 0 HG22 ILE A 172 51.710 23.128 40.247 1.00 24.00 H new ATOM 0 HG23 ILE A 172 52.651 21.864 40.082 1.00 24.00 H new ATOM 0 HD11 ILE A 172 57.017 23.754 40.253 1.00 26.58 H new ATOM 0 HD12 ILE A 172 56.172 24.313 39.036 1.00 26.58 H new ATOM 0 HD13 ILE A 172 56.004 24.950 40.476 1.00 26.58 H new ATOM 1137 N GLU A 173 55.098 22.254 37.273 1.00 32.61 N ATOM 1138 CA GLU A 173 55.548 21.045 36.592 1.00 37.79 C ATOM 1139 C GLU A 173 55.632 19.815 37.496 1.00 38.32 C ATOM 1140 O GLU A 173 56.165 19.881 38.603 1.00 38.78 O ATOM 1141 CB GLU A 173 56.913 21.315 35.945 1.00 42.29 C ATOM 1142 CG GLU A 173 57.347 20.301 34.889 1.00 50.29 C ATOM 1143 CD GLU A 173 56.496 20.352 33.624 1.00 54.88 C ATOM 1144 OE1 GLU A 173 56.212 21.469 33.128 1.00 57.27 O ATOM 1145 OE2 GLU A 173 56.122 19.270 33.116 1.00 57.69 O ATOM 0 H GLU A 173 55.711 22.850 37.366 1.00 32.61 H new ATOM 0 HA GLU A 173 54.879 20.834 35.922 1.00 37.79 H new ATOM 0 HB2 GLU A 173 56.893 22.195 35.538 1.00 42.29 H new ATOM 0 HB3 GLU A 173 57.586 21.341 36.643 1.00 42.29 H new ATOM 0 HG2 GLU A 173 58.274 20.463 34.655 1.00 50.29 H new ATOM 0 HG3 GLU A 173 57.301 19.409 35.267 1.00 50.29 H new ATOM 1146 N THR A 174 55.103 18.693 37.012 1.00 39.89 N ATOM 1147 CA THR A 174 55.130 17.440 37.763 1.00 42.67 C ATOM 1148 C THR A 174 56.002 16.411 37.055 1.00 43.80 C ATOM 1149 O THR A 174 56.496 16.731 35.953 1.00 44.70 O ATOM 1150 CB THR A 174 53.723 16.834 37.914 1.00 44.10 C ATOM 1151 OG1 THR A 174 53.126 16.679 36.620 1.00 44.85 O ATOM 1152 CG2 THR A 174 52.855 17.722 38.776 1.00 42.24 C ATOM 0 H THR A 174 54.721 18.637 36.244 1.00 39.89 H new ATOM 0 HA THR A 174 55.488 17.651 38.639 1.00 42.67 H new ATOM 0 HB THR A 174 53.799 15.967 38.342 1.00 44.10 H new ATOM 0 HG1 THR A 174 52.359 16.347 36.703 1.00 44.85 H new ATOM 0 HG21 THR A 174 51.973 17.328 38.862 1.00 42.24 H new ATOM 0 HG22 THR A 174 53.256 17.812 39.655 1.00 42.24 H new ATOM 0 HG23 THR A 174 52.779 18.597 38.365 1.00 42.24 H new ATOM 1153 N ASP A 175 56.170 15.298 37.603 1.00 45.15 N TER 1154 ASP A 175 ATOM 1155 N ALA B 175 25.457 12.550 78.873 1.00 46.12 N ATOM 1156 CA ALA B 175 25.710 14.011 78.717 1.00 45.93 C ATOM 1157 C ALA B 175 24.468 14.715 78.178 1.00 45.75 C ATOM 1158 O ALA B 175 23.555 14.069 77.655 1.00 45.11 O ATOM 1159 CB ALA B 175 26.887 14.237 77.776 1.00 46.27 C ATOM 0 HA ALA B 175 25.922 14.383 79.587 1.00 45.93 H new ATOM 0 HB1 ALA B 175 27.046 15.189 77.679 1.00 46.27 H new ATOM 0 HB2 ALA B 175 27.679 13.813 78.141 1.00 46.27 H new ATOM 0 HB3 ALA B 175 26.686 13.853 76.908 1.00 46.27 H new ATOM 1160 N SER B 176 24.439 16.039 78.317 1.00 45.67 N ATOM 1161 CA SER B 176 23.312 16.845 77.850 1.00 44.31 C ATOM 1162 C SER B 176 23.734 18.279 77.543 1.00 44.66 C ATOM 1163 O SER B 176 24.683 18.806 78.129 1.00 44.23 O ATOM 1164 CB SER B 176 22.187 16.859 78.896 1.00 43.08 C ATOM 1165 OG SER B 176 22.597 17.488 80.100 1.00 39.26 O ATOM 0 H SER B 176 25.070 16.494 78.683 1.00 45.67 H new ATOM 0 HA SER B 176 22.989 16.438 77.031 1.00 44.31 H new ATOM 0 HB2 SER B 176 21.415 17.323 78.535 1.00 43.08 H new ATOM 0 HB3 SER B 176 21.909 15.949 79.085 1.00 43.08 H new ATOM 0 HG SER B 176 23.316 17.903 79.969 1.00 39.26 H new ATOM 1166 N GLY B 177 23.016 18.902 76.615 1.00 44.92 N ATOM 1167 CA GLY B 177 23.315 20.267 76.231 1.00 44.31 C ATOM 1168 C GLY B 177 22.059 21.021 75.842 1.00 43.93 C ATOM 1169 O GLY B 177 20.963 20.462 75.830 1.00 43.95 O ATOM 0 H GLY B 177 22.352 18.548 76.198 1.00 44.92 H new ATOM 0 HA2 GLY B 177 23.753 20.723 76.967 1.00 44.31 H new ATOM 0 HA3 GLY B 177 23.937 20.266 75.487 1.00 44.31 H new ATOM 1170 N VAL B 178 22.221 22.296 75.513 1.00 43.97 N ATOM 1171 CA VAL B 178 21.102 23.144 75.131 1.00 43.18 C ATOM 1172 C VAL B 178 20.916 23.220 73.618 1.00 43.39 C ATOM 1173 O VAL B 178 19.931 23.784 73.140 1.00 43.22 O ATOM 1174 CB VAL B 178 21.306 24.580 75.649 1.00 43.05 C ATOM 1175 CG1 VAL B 178 21.462 24.572 77.154 1.00 42.59 C ATOM 1176 CG2 VAL B 178 22.536 25.197 74.993 1.00 43.17 C ATOM 0 H VAL B 178 22.983 22.694 75.505 1.00 43.97 H new ATOM 0 HA VAL B 178 20.314 22.740 75.528 1.00 43.18 H new ATOM 0 HB VAL B 178 20.528 25.113 75.421 1.00 43.05 H new ATOM 0 HG11 VAL B 178 21.590 25.480 77.471 1.00 42.59 H new ATOM 0 HG12 VAL B 178 20.665 24.197 77.560 1.00 42.59 H new ATOM 0 HG13 VAL B 178 22.232 24.034 77.397 1.00 42.59 H new ATOM 0 HG21 VAL B 178 22.660 26.101 75.323 1.00 43.17 H new ATOM 0 HG22 VAL B 178 23.318 24.665 75.207 1.00 43.17 H new ATOM 0 HG23 VAL B 178 22.414 25.218 74.031 1.00 43.17 H new ATOM 1177 N ASP B 179 21.851 22.642 72.870 1.00 43.82 N ATOM 1178 CA ASP B 179 21.794 22.700 71.412 1.00 43.63 C ATOM 1179 C ASP B 179 21.694 21.379 70.658 1.00 44.15 C ATOM 1180 O ASP B 179 21.971 21.339 69.462 1.00 43.13 O ATOM 1181 CB ASP B 179 23.014 23.460 70.889 1.00 41.95 C ATOM 1182 CG ASP B 179 24.322 22.882 71.400 1.00 39.04 C ATOM 1183 OD1 ASP B 179 24.453 21.642 71.434 1.00 38.40 O ATOM 1184 OD2 ASP B 179 25.225 23.664 71.757 1.00 37.96 O ATOM 0 H ASP B 179 22.526 22.212 73.186 1.00 43.82 H new ATOM 0 HA ASP B 179 20.952 23.147 71.235 1.00 43.63 H new ATOM 0 HB2 ASP B 179 23.012 23.441 69.919 1.00 41.95 H new ATOM 0 HB3 ASP B 179 22.950 24.391 71.154 1.00 41.95 H new ATOM 1185 N ASP B 180 21.300 20.303 71.328 1.00 46.94 N ATOM 1186 CA ASP B 180 21.203 19.015 70.645 1.00 49.56 C ATOM 1187 C ASP B 180 19.932 18.244 70.981 1.00 50.55 C ATOM 1188 O ASP B 180 19.271 18.511 71.989 1.00 51.50 O ATOM 1189 CB ASP B 180 22.415 18.141 70.984 1.00 51.07 C ATOM 1190 CG ASP B 180 22.409 17.671 72.431 1.00 53.69 C ATOM 1191 OD1 ASP B 180 22.537 18.525 73.336 1.00 54.99 O ATOM 1192 OD2 ASP B 180 22.268 16.450 72.664 1.00 54.17 O ATOM 0 H ASP B 180 21.088 20.293 72.161 1.00 46.94 H new ATOM 0 HA ASP B 180 21.179 19.218 69.697 1.00 49.56 H new ATOM 0 HB2 ASP B 180 22.428 17.369 70.397 1.00 51.07 H new ATOM 0 HB3 ASP B 180 23.228 18.641 70.813 1.00 51.07 H new ATOM 1193 N ASP B 181 19.603 17.281 70.124 1.00 49.96 N ATOM 1194 CA ASP B 181 18.433 16.436 70.314 1.00 49.61 C ATOM 1195 C ASP B 181 17.151 17.243 70.529 1.00 48.54 C ATOM 1196 O ASP B 181 16.529 17.177 71.587 1.00 47.07 O ATOM 1197 CB ASP B 181 18.685 15.486 71.496 1.00 49.74 C ATOM 1198 CG ASP B 181 17.648 14.379 71.597 1.00 50.57 C ATOM 1199 OD1 ASP B 181 17.172 13.898 70.542 1.00 49.78 O ATOM 1200 OD2 ASP B 181 17.325 13.978 72.736 1.00 49.66 O ATOM 0 H ASP B 181 20.055 17.101 69.415 1.00 49.96 H new ATOM 0 HA ASP B 181 18.298 15.925 69.501 1.00 49.61 H new ATOM 0 HB2 ASP B 181 19.566 15.090 71.405 1.00 49.74 H new ATOM 0 HB3 ASP B 181 18.687 15.997 72.321 1.00 49.74 H new ATOM 1201 N MET B 182 16.764 18.003 69.509 1.00 49.34 N ATOM 1202 CA MET B 182 15.555 18.823 69.563 1.00 50.19 C ATOM 1203 C MET B 182 14.303 17.980 69.352 1.00 50.22 C ATOM 1204 O MET B 182 14.321 17.009 68.590 1.00 49.62 O ATOM 1205 CB MET B 182 15.601 19.910 68.487 1.00 50.32 C ATOM 1206 CG MET B 182 16.659 20.970 68.706 1.00 51.21 C ATOM 1207 SD MET B 182 16.389 21.886 70.229 1.00 50.18 S ATOM 1208 CE MET B 182 17.625 21.148 71.286 1.00 49.81 C ATOM 0 H MET B 182 17.194 18.059 68.766 1.00 49.34 H new ATOM 0 HA MET B 182 15.519 19.228 70.444 1.00 50.19 H new ATOM 0 HB2 MET B 182 15.754 19.490 67.626 1.00 50.32 H new ATOM 0 HB3 MET B 182 14.733 20.341 68.442 1.00 50.32 H new ATOM 0 HG2 MET B 182 17.534 20.552 68.732 1.00 51.21 H new ATOM 0 HG3 MET B 182 16.660 21.585 67.956 1.00 51.21 H new ATOM 0 HE1 MET B 182 17.789 21.728 72.046 1.00 49.81 H new ATOM 0 HE2 MET B 182 17.310 20.286 71.600 1.00 49.81 H new ATOM 0 HE3 MET B 182 18.448 21.029 70.787 1.00 49.81 H new ATOM 1209 N ALA B 183 13.218 18.358 70.024 1.00 50.57 N ATOM 1210 CA ALA B 183 11.947 17.647 69.901 1.00 51.10 C ATOM 1211 C ALA B 183 11.494 17.655 68.439 1.00 50.80 C ATOM 1212 O ALA B 183 11.329 16.599 67.824 1.00 51.30 O ATOM 1213 CB ALA B 183 10.892 18.305 70.784 1.00 51.59 C ATOM 0 H ALA B 183 13.197 19.030 70.561 1.00 50.57 H new ATOM 0 HA ALA B 183 12.064 16.729 70.191 1.00 51.10 H new ATOM 0 HB1 ALA B 183 10.052 17.827 70.696 1.00 51.59 H new ATOM 0 HB2 ALA B 183 11.183 18.280 71.709 1.00 51.59 H new ATOM 0 HB3 ALA B 183 10.769 19.227 70.509 1.00 51.59 H new ATOM 1214 N CYS B 184 11.290 18.850 67.891 1.00 50.16 N ATOM 1215 CA CYS B 184 10.880 18.993 66.498 1.00 49.06 C ATOM 1216 C CYS B 184 12.137 18.998 65.625 1.00 47.08 C ATOM 1217 O CYS B 184 12.935 19.932 65.674 1.00 46.77 O ATOM 1218 CB CYS B 184 10.087 20.294 66.312 1.00 51.08 C ATOM 1219 SG CYS B 184 8.451 20.330 67.136 1.00 54.24 S ATOM 0 H CYS B 184 11.384 19.594 68.312 1.00 50.16 H new ATOM 0 HA CYS B 184 10.306 18.255 66.240 1.00 49.06 H new ATOM 0 HB2 CYS B 184 10.619 21.032 66.648 1.00 51.08 H new ATOM 0 HB3 CYS B 184 9.959 20.446 65.363 1.00 51.08 H new ATOM 0 HG CYS B 184 7.921 21.387 66.929 1.00 54.24 H new ATOM 1220 N HIS B 185 12.313 17.943 64.834 1.00 45.43 N ATOM 1221 CA HIS B 185 13.485 17.809 63.969 1.00 42.83 C ATOM 1222 C HIS B 185 13.462 18.717 62.744 1.00 38.51 C ATOM 1223 O HIS B 185 12.488 18.742 61.994 1.00 38.19 O ATOM 1224 CB HIS B 185 13.630 16.359 63.503 1.00 46.88 C ATOM 1225 CG HIS B 185 13.660 15.362 64.619 1.00 52.87 C ATOM 1226 ND1 HIS B 185 14.598 15.400 65.629 1.00 55.19 N ATOM 1227 CD2 HIS B 185 12.873 14.290 64.877 1.00 54.39 C ATOM 1228 CE1 HIS B 185 14.387 14.395 66.461 1.00 56.16 C ATOM 1229 NE2 HIS B 185 13.346 13.706 66.028 1.00 56.38 N ATOM 0 H HIS B 185 11.760 17.287 64.783 1.00 45.43 H new ATOM 0 HA HIS B 185 14.242 18.082 64.511 1.00 42.83 H new ATOM 0 HB2 HIS B 185 12.893 16.144 62.909 1.00 46.88 H new ATOM 0 HB3 HIS B 185 14.446 16.275 62.985 1.00 46.88 H new ATOM 0 HD1 HIS B 185 15.223 15.986 65.706 1.00 55.19 H new ATOM 0 HD2 HIS B 185 12.148 14.003 64.370 1.00 54.39 H new ATOM 0 HE1 HIS B 185 14.887 14.205 67.222 1.00 56.16 H new ATOM 1230 N LYS B 186 14.548 19.457 62.542 1.00 33.85 N ATOM 1231 CA LYS B 186 14.668 20.348 61.393 1.00 28.35 C ATOM 1232 C LYS B 186 16.047 20.198 60.762 1.00 23.37 C ATOM 1233 O LYS B 186 16.974 19.684 61.390 1.00 22.68 O ATOM 1234 CB LYS B 186 14.499 21.808 61.813 1.00 29.11 C ATOM 1235 CG LYS B 186 13.241 22.124 62.597 1.00 31.87 C ATOM 1236 CD LYS B 186 13.123 23.631 62.828 1.00 33.27 C ATOM 1237 CE LYS B 186 14.386 24.200 63.466 1.00 33.56 C ATOM 1238 NZ LYS B 186 14.336 25.684 63.594 1.00 35.60 N ATOM 0 H LYS B 186 15.232 19.457 63.064 1.00 33.85 H new ATOM 0 HA LYS B 186 13.973 20.108 60.760 1.00 28.35 H new ATOM 0 HB2 LYS B 186 15.267 22.065 62.348 1.00 29.11 H new ATOM 0 HB3 LYS B 186 14.511 22.360 61.016 1.00 29.11 H new ATOM 0 HG2 LYS B 186 12.463 21.803 62.115 1.00 31.87 H new ATOM 0 HG3 LYS B 186 13.258 21.660 63.449 1.00 31.87 H new ATOM 0 HD2 LYS B 186 12.957 24.077 61.983 1.00 33.27 H new ATOM 0 HD3 LYS B 186 12.360 23.813 63.399 1.00 33.27 H new ATOM 0 HE2 LYS B 186 14.508 23.806 64.344 1.00 33.56 H new ATOM 0 HE3 LYS B 186 15.156 23.949 62.933 1.00 33.56 H new ATOM 0 HZ1 LYS B 186 15.089 25.975 63.969 1.00 35.60 H new ATOM 0 HZ2 LYS B 186 14.247 26.049 62.787 1.00 35.60 H new ATOM 0 HZ3 LYS B 186 13.643 25.915 64.102 1.00 35.60 H new ATOM 1239 N ILE B 187 16.170 20.626 59.511 1.00 19.17 N ATOM 1240 CA ILE B 187 17.456 20.608 58.822 1.00 17.17 C ATOM 1241 C ILE B 187 17.672 22.016 58.278 1.00 15.46 C ATOM 1242 O ILE B 187 16.715 22.761 58.074 1.00 13.93 O ATOM 1243 CB ILE B 187 17.526 19.577 57.648 1.00 17.10 C ATOM 1244 CG1 ILE B 187 16.715 20.054 56.444 1.00 15.43 C ATOM 1245 CG2 ILE B 187 17.069 18.213 58.134 1.00 14.88 C ATOM 1246 CD1 ILE B 187 15.257 20.148 56.681 1.00 19.96 C ATOM 0 H ILE B 187 15.518 20.932 59.041 1.00 19.17 H new ATOM 0 HA ILE B 187 18.143 20.335 59.450 1.00 17.17 H new ATOM 0 HB ILE B 187 18.446 19.500 57.351 1.00 17.10 H new ATOM 0 HG12 ILE B 187 17.043 20.925 56.173 1.00 15.43 H new ATOM 0 HG13 ILE B 187 16.872 19.448 55.703 1.00 15.43 H new ATOM 0 HG21 ILE B 187 17.114 17.577 57.403 1.00 14.88 H new ATOM 0 HG22 ILE B 187 17.645 17.917 58.856 1.00 14.88 H new ATOM 0 HG23 ILE B 187 16.155 18.273 58.454 1.00 14.88 H new ATOM 0 HD11 ILE B 187 14.817 20.456 55.873 1.00 19.96 H new ATOM 0 HD12 ILE B 187 14.912 19.275 56.924 1.00 19.96 H new ATOM 0 HD13 ILE B 187 15.086 20.775 57.401 1.00 19.96 H new ATOM 1247 N PRO B 188 18.934 22.409 58.059 1.00 14.57 N ATOM 1248 CA PRO B 188 19.206 23.751 57.538 1.00 13.14 C ATOM 1249 C PRO B 188 18.523 23.942 56.188 1.00 12.94 C ATOM 1250 O PRO B 188 18.353 22.986 55.432 1.00 12.44 O ATOM 1251 CB PRO B 188 20.728 23.769 57.414 1.00 13.93 C ATOM 1252 CG PRO B 188 21.175 22.790 58.458 1.00 14.16 C ATOM 1253 CD PRO B 188 20.185 21.671 58.299 1.00 14.59 C ATOM 0 HA PRO B 188 18.872 24.468 58.100 1.00 13.14 H new ATOM 0 HB2 PRO B 188 21.017 23.503 56.527 1.00 13.93 H new ATOM 0 HB3 PRO B 188 21.089 24.654 57.576 1.00 13.93 H new ATOM 0 HG2 PRO B 188 22.085 22.491 58.307 1.00 14.16 H new ATOM 0 HG3 PRO B 188 21.147 23.174 59.349 1.00 14.16 H new ATOM 0 HD2 PRO B 188 20.411 21.087 57.558 1.00 14.59 H new ATOM 0 HD3 PRO B 188 20.133 21.115 59.092 1.00 14.59 H new ATOM 1254 N VAL B 189 18.127 25.171 55.882 1.00 12.82 N ATOM 1255 CA VAL B 189 17.481 25.428 54.602 1.00 13.52 C ATOM 1256 C VAL B 189 18.530 25.356 53.499 1.00 14.29 C ATOM 1257 O VAL B 189 18.204 25.159 52.331 1.00 15.18 O ATOM 1258 CB VAL B 189 16.800 26.816 54.575 1.00 13.26 C ATOM 1259 CG1 VAL B 189 15.794 26.910 55.704 1.00 11.61 C ATOM 1260 CG2 VAL B 189 17.840 27.922 54.696 1.00 12.94 C ATOM 0 H VAL B 189 18.220 25.858 56.390 1.00 12.82 H new ATOM 0 HA VAL B 189 16.793 24.758 54.465 1.00 13.52 H new ATOM 0 HB VAL B 189 16.339 26.926 53.729 1.00 13.26 H new ATOM 0 HG11 VAL B 189 15.368 27.781 55.686 1.00 11.61 H new ATOM 0 HG12 VAL B 189 15.122 26.219 55.597 1.00 11.61 H new ATOM 0 HG13 VAL B 189 16.248 26.790 56.553 1.00 11.61 H new ATOM 0 HG21 VAL B 189 17.398 28.785 54.678 1.00 12.94 H new ATOM 0 HG22 VAL B 189 18.322 27.824 55.532 1.00 12.94 H new ATOM 0 HG23 VAL B 189 18.464 27.863 53.955 1.00 12.94 H new ATOM 1261 N GLU B 190 19.794 25.501 53.887 1.00 15.46 N ATOM 1262 CA GLU B 190 20.909 25.456 52.944 1.00 15.56 C ATOM 1263 C GLU B 190 21.448 24.033 52.748 1.00 15.73 C ATOM 1264 O GLU B 190 22.370 23.816 51.968 1.00 16.34 O ATOM 1265 CB GLU B 190 22.037 26.371 53.437 1.00 16.78 C ATOM 1266 CG GLU B 190 21.640 27.838 53.541 1.00 21.55 C ATOM 1267 CD GLU B 190 21.569 28.523 52.185 1.00 25.11 C ATOM 1268 OE1 GLU B 190 21.030 27.923 51.232 1.00 27.88 O ATOM 1269 OE2 GLU B 190 22.049 29.669 52.072 1.00 29.47 O ATOM 0 H GLU B 190 20.030 25.628 54.704 1.00 15.46 H new ATOM 0 HA GLU B 190 20.578 25.763 52.086 1.00 15.56 H new ATOM 0 HB2 GLU B 190 22.334 26.063 54.307 1.00 16.78 H new ATOM 0 HB3 GLU B 190 22.793 26.291 52.834 1.00 16.78 H new ATOM 0 HG2 GLU B 190 20.777 27.906 53.979 1.00 21.55 H new ATOM 0 HG3 GLU B 190 22.280 28.304 54.102 1.00 21.55 H new ATOM 1270 N ALA B 191 20.864 23.064 53.444 1.00 14.72 N ATOM 1271 CA ALA B 191 21.320 21.681 53.333 1.00 14.09 C ATOM 1272 C ALA B 191 20.843 20.970 52.066 1.00 13.03 C ATOM 1273 O ALA B 191 19.834 21.338 51.467 1.00 12.37 O ATOM 1274 CB ALA B 191 20.889 20.885 54.576 1.00 10.55 C ATOM 0 H ALA B 191 20.205 23.184 53.984 1.00 14.72 H new ATOM 0 HA ALA B 191 22.287 21.719 53.273 1.00 14.09 H new ATOM 0 HB1 ALA B 191 21.195 19.968 54.495 1.00 10.55 H new ATOM 0 HB2 ALA B 191 21.278 21.287 55.369 1.00 10.55 H new ATOM 0 HB3 ALA B 191 19.922 20.897 54.649 1.00 10.55 H new ATOM 1275 N ASP B 192 21.600 19.951 51.670 1.00 12.40 N ATOM 1276 CA ASP B 192 21.304 19.133 50.501 1.00 11.48 C ATOM 1277 C ASP B 192 21.551 19.831 49.162 1.00 12.78 C ATOM 1278 O ASP B 192 20.875 19.564 48.163 1.00 12.02 O ATOM 1279 CB ASP B 192 19.868 18.611 50.582 1.00 12.39 C ATOM 1280 CG ASP B 192 19.594 17.856 51.881 1.00 13.75 C ATOM 1281 OD1 ASP B 192 20.339 16.897 52.191 1.00 10.40 O ATOM 1282 OD2 ASP B 192 18.630 18.223 52.592 1.00 12.27 O ATOM 0 H ASP B 192 22.315 19.712 52.083 1.00 12.40 H new ATOM 0 HA ASP B 192 21.931 18.394 50.523 1.00 11.48 H new ATOM 0 HB2 ASP B 192 19.251 19.356 50.508 1.00 12.39 H new ATOM 0 HB3 ASP B 192 19.697 18.025 49.828 1.00 12.39 H new ATOM 1283 N PHE B 193 22.530 20.729 49.152 1.00 11.81 N ATOM 1284 CA PHE B 193 22.914 21.435 47.939 1.00 13.11 C ATOM 1285 C PHE B 193 24.333 21.006 47.586 1.00 14.87 C ATOM 1286 O PHE B 193 25.169 20.791 48.477 1.00 15.14 O ATOM 1287 CB PHE B 193 22.911 22.950 48.157 1.00 13.63 C ATOM 1288 CG PHE B 193 21.560 23.591 48.023 1.00 11.87 C ATOM 1289 CD1 PHE B 193 21.124 24.068 46.787 1.00 10.07 C ATOM 1290 CD2 PHE B 193 20.732 23.739 49.134 1.00 9.07 C ATOM 1291 CE1 PHE B 193 19.880 24.691 46.657 1.00 10.32 C ATOM 1292 CE2 PHE B 193 19.482 24.361 49.019 1.00 11.86 C ATOM 1293 CZ PHE B 193 19.055 24.839 47.776 1.00 10.72 C ATOM 0 H PHE B 193 22.988 20.945 49.847 1.00 11.81 H new ATOM 0 HA PHE B 193 22.283 21.223 47.233 1.00 13.11 H new ATOM 0 HB2 PHE B 193 23.261 23.140 49.042 1.00 13.63 H new ATOM 0 HB3 PHE B 193 23.516 23.359 47.519 1.00 13.63 H new ATOM 0 HD1 PHE B 193 21.668 23.970 46.039 1.00 10.07 H new ATOM 0 HD2 PHE B 193 21.013 23.421 49.962 1.00 9.07 H new ATOM 0 HE1 PHE B 193 19.601 25.007 45.828 1.00 10.32 H new ATOM 0 HE2 PHE B 193 18.938 24.456 49.767 1.00 11.86 H new ATOM 0 HZ PHE B 193 18.226 25.253 47.694 1.00 10.72 H new ATOM 1294 N LEU B 194 24.595 20.870 46.291 1.00 13.08 N ATOM 1295 CA LEU B 194 25.916 20.508 45.804 1.00 14.15 C ATOM 1296 C LEU B 194 26.218 21.470 44.668 1.00 16.19 C ATOM 1297 O LEU B 194 25.428 21.597 43.732 1.00 17.18 O ATOM 1298 CB LEU B 194 25.936 19.068 45.282 1.00 13.94 C ATOM 1299 CG LEU B 194 27.238 18.493 44.689 1.00 15.02 C ATOM 1300 CD1 LEU B 194 27.628 19.227 43.404 1.00 11.97 C ATOM 1301 CD2 LEU B 194 28.349 18.586 45.714 1.00 12.00 C ATOM 0 H LEU B 194 24.010 20.985 45.671 1.00 13.08 H new ATOM 0 HA LEU B 194 26.573 20.562 46.515 1.00 14.15 H new ATOM 0 HB2 LEU B 194 25.670 18.490 46.014 1.00 13.94 H new ATOM 0 HB3 LEU B 194 25.250 18.996 44.600 1.00 13.94 H new ATOM 0 HG LEU B 194 27.091 17.561 44.463 1.00 15.02 H new ATOM 0 HD11 LEU B 194 28.448 18.848 43.051 1.00 11.97 H new ATOM 0 HD12 LEU B 194 26.919 19.131 42.748 1.00 11.97 H new ATOM 0 HD13 LEU B 194 27.764 20.168 43.597 1.00 11.97 H new ATOM 0 HD21 LEU B 194 29.167 18.224 45.339 1.00 12.00 H new ATOM 0 HD22 LEU B 194 28.489 19.515 45.957 1.00 12.00 H new ATOM 0 HD23 LEU B 194 28.104 18.079 46.504 1.00 12.00 H new ATOM 1302 N TYR B 195 27.349 22.160 44.757 1.00 15.81 N ATOM 1303 CA TYR B 195 27.738 23.089 43.713 1.00 15.30 C ATOM 1304 C TYR B 195 28.987 22.554 43.049 1.00 15.20 C ATOM 1305 O TYR B 195 30.047 22.475 43.673 1.00 15.63 O ATOM 1306 CB TYR B 195 28.025 24.480 44.283 1.00 16.20 C ATOM 1307 CG TYR B 195 26.862 25.104 45.019 1.00 19.23 C ATOM 1308 CD1 TYR B 195 26.505 24.666 46.293 1.00 20.02 C ATOM 1309 CD2 TYR B 195 26.120 26.140 44.447 1.00 20.75 C ATOM 1310 CE1 TYR B 195 25.440 25.244 46.984 1.00 22.68 C ATOM 1311 CE2 TYR B 195 25.047 26.728 45.133 1.00 22.07 C ATOM 1312 CZ TYR B 195 24.717 26.274 46.402 1.00 23.60 C ATOM 1313 OH TYR B 195 23.678 26.851 47.103 1.00 25.69 O ATOM 0 H TYR B 195 27.902 22.103 45.413 1.00 15.81 H new ATOM 0 HA TYR B 195 27.011 23.172 43.076 1.00 15.30 H new ATOM 0 HB2 TYR B 195 28.782 24.420 44.887 1.00 16.20 H new ATOM 0 HB3 TYR B 195 28.287 25.067 43.557 1.00 16.20 H new ATOM 0 HD1 TYR B 195 26.986 23.976 46.690 1.00 20.02 H new ATOM 0 HD2 TYR B 195 26.341 26.445 43.597 1.00 20.75 H new ATOM 0 HE1 TYR B 195 25.215 24.939 47.833 1.00 22.68 H new ATOM 0 HE2 TYR B 195 24.561 27.417 44.740 1.00 22.07 H new ATOM 0 HH TYR B 195 23.329 27.457 46.638 1.00 25.69 H new ATOM 1314 N ALA B 196 28.855 22.164 41.788 1.00 13.58 N ATOM 1315 CA ALA B 196 29.989 21.653 41.039 1.00 12.27 C ATOM 1316 C ALA B 196 30.518 22.789 40.176 1.00 11.40 C ATOM 1317 O ALA B 196 30.074 22.978 39.049 1.00 12.39 O ATOM 1318 CB ALA B 196 29.560 20.475 40.172 1.00 8.72 C ATOM 0 H ALA B 196 28.116 22.188 41.349 1.00 13.58 H new ATOM 0 HA ALA B 196 30.682 21.337 41.640 1.00 12.27 H new ATOM 0 HB1 ALA B 196 30.325 20.142 39.677 1.00 8.72 H new ATOM 0 HB2 ALA B 196 29.208 19.769 40.736 1.00 8.72 H new ATOM 0 HB3 ALA B 196 28.873 20.764 39.550 1.00 8.72 H new ATOM 1319 N TYR B 197 31.451 23.560 40.725 1.00 11.32 N ATOM 1320 CA TYR B 197 32.044 24.680 39.999 1.00 12.53 C ATOM 1321 C TYR B 197 33.126 24.180 39.048 1.00 14.33 C ATOM 1322 O TYR B 197 33.839 23.226 39.353 1.00 14.98 O ATOM 1323 CB TYR B 197 32.660 25.685 40.971 1.00 10.13 C ATOM 1324 CG TYR B 197 31.665 26.448 41.801 1.00 10.03 C ATOM 1325 CD1 TYR B 197 30.946 27.516 41.266 1.00 10.68 C ATOM 1326 CD2 TYR B 197 31.460 26.121 43.136 1.00 12.34 C ATOM 1327 CE1 TYR B 197 30.051 28.245 42.050 1.00 9.33 C ATOM 1328 CE2 TYR B 197 30.573 26.836 43.922 1.00 12.29 C ATOM 1329 CZ TYR B 197 29.875 27.897 43.376 1.00 11.13 C ATOM 1330 OH TYR B 197 29.031 28.617 44.187 1.00 15.29 O ATOM 0 H TYR B 197 31.757 23.451 41.521 1.00 11.32 H new ATOM 0 HA TYR B 197 31.341 25.115 39.492 1.00 12.53 H new ATOM 0 HB2 TYR B 197 33.264 25.213 41.565 1.00 10.13 H new ATOM 0 HB3 TYR B 197 33.195 26.318 40.467 1.00 10.13 H new ATOM 0 HD1 TYR B 197 31.065 27.746 40.373 1.00 10.68 H new ATOM 0 HD2 TYR B 197 31.928 25.408 43.508 1.00 12.34 H new ATOM 0 HE1 TYR B 197 29.578 28.957 41.684 1.00 9.33 H new ATOM 0 HE2 TYR B 197 30.447 26.604 44.814 1.00 12.29 H new ATOM 0 HH TYR B 197 28.707 29.260 43.754 1.00 15.29 H new ATOM 1331 N SER B 198 33.253 24.850 37.907 1.00 14.75 N ATOM 1332 CA SER B 198 34.231 24.493 36.888 1.00 14.00 C ATOM 1333 C SER B 198 35.641 24.913 37.270 1.00 14.60 C ATOM 1334 O SER B 198 36.620 24.300 36.844 1.00 13.69 O ATOM 1335 CB SER B 198 33.893 25.194 35.588 1.00 14.16 C ATOM 1336 OG SER B 198 34.129 26.585 35.734 1.00 13.81 O ATOM 0 H SER B 198 32.769 25.531 37.702 1.00 14.75 H new ATOM 0 HA SER B 198 34.198 23.528 36.797 1.00 14.00 H new ATOM 0 HB2 SER B 198 34.433 24.837 34.866 1.00 14.16 H new ATOM 0 HB3 SER B 198 32.965 25.035 35.354 1.00 14.16 H new ATOM 0 HG SER B 198 33.732 26.866 36.419 1.00 13.81 H new ATOM 1337 N THR B 199 35.742 25.970 38.067 1.00 13.57 N ATOM 1338 CA THR B 199 37.043 26.485 38.439 1.00 11.42 C ATOM 1339 C THR B 199 37.129 26.892 39.905 1.00 11.54 C ATOM 1340 O THR B 199 36.115 26.975 40.600 1.00 12.24 O ATOM 1341 CB THR B 199 37.390 27.693 37.539 1.00 10.72 C ATOM 1342 OG1 THR B 199 38.763 28.058 37.722 1.00 15.66 O ATOM 1343 CG2 THR B 199 36.494 28.880 37.874 1.00 10.20 C ATOM 0 H THR B 199 35.073 26.397 38.398 1.00 13.57 H new ATOM 0 HA THR B 199 37.683 25.767 38.312 1.00 11.42 H new ATOM 0 HB THR B 199 37.244 27.442 36.613 1.00 10.72 H new ATOM 0 HG1 THR B 199 38.982 28.626 37.143 1.00 15.66 H new ATOM 0 HG21 THR B 199 36.723 29.630 37.302 1.00 10.20 H new ATOM 0 HG22 THR B 199 35.566 28.636 37.731 1.00 10.20 H new ATOM 0 HG23 THR B 199 36.622 29.131 38.802 1.00 10.20 H new ATOM 1344 N ALA B 200 38.351 27.143 40.365 1.00 10.66 N ATOM 1345 CA ALA B 200 38.590 27.542 41.748 1.00 11.64 C ATOM 1346 C ALA B 200 38.077 28.955 41.991 1.00 12.14 C ATOM 1347 O ALA B 200 37.967 29.757 41.061 1.00 13.41 O ATOM 1348 CB ALA B 200 40.087 27.465 42.067 1.00 9.41 C ATOM 0 H ALA B 200 39.063 27.087 39.886 1.00 10.66 H new ATOM 0 HA ALA B 200 38.111 26.934 42.332 1.00 11.64 H new ATOM 0 HB1 ALA B 200 40.236 27.732 42.988 1.00 9.41 H new ATOM 0 HB2 ALA B 200 40.399 26.555 41.940 1.00 9.41 H new ATOM 0 HB3 ALA B 200 40.575 28.059 41.476 1.00 9.41 H new ATOM 1349 N PRO B 201 37.760 29.281 43.252 1.00 12.43 N ATOM 1350 CA PRO B 201 37.256 30.613 43.595 1.00 13.07 C ATOM 1351 C PRO B 201 38.213 31.713 43.148 1.00 13.17 C ATOM 1352 O PRO B 201 39.400 31.655 43.444 1.00 13.83 O ATOM 1353 CB PRO B 201 37.134 30.553 45.120 1.00 13.39 C ATOM 1354 CG PRO B 201 36.876 29.092 45.388 1.00 13.63 C ATOM 1355 CD PRO B 201 37.852 28.429 44.451 1.00 13.30 C ATOM 0 HA PRO B 201 36.418 30.826 43.155 1.00 13.07 H new ATOM 0 HB2 PRO B 201 37.944 30.860 45.557 1.00 13.39 H new ATOM 0 HB3 PRO B 201 36.409 31.110 45.444 1.00 13.39 H new ATOM 0 HG2 PRO B 201 37.044 28.857 46.314 1.00 13.63 H new ATOM 0 HG3 PRO B 201 35.959 28.843 45.194 1.00 13.63 H new ATOM 0 HD2 PRO B 201 38.751 28.413 44.816 1.00 13.30 H new ATOM 0 HD3 PRO B 201 37.606 27.510 44.262 1.00 13.30 H new ATOM 1356 N GLY B 202 37.688 32.707 42.434 1.00 14.48 N ATOM 1357 CA GLY B 202 38.502 33.823 41.979 1.00 13.35 C ATOM 1358 C GLY B 202 39.243 33.636 40.665 1.00 14.85 C ATOM 1359 O GLY B 202 39.968 34.536 40.236 1.00 14.67 O ATOM 0 H GLY B 202 36.861 32.751 42.204 1.00 14.48 H new ATOM 0 HA2 GLY B 202 37.929 34.601 41.896 1.00 13.35 H new ATOM 0 HA3 GLY B 202 39.154 34.023 42.669 1.00 13.35 H new ATOM 1360 N TYR B 203 39.059 32.491 40.010 1.00 14.09 N ATOM 1361 CA TYR B 203 39.759 32.228 38.755 1.00 14.81 C ATOM 1362 C TYR B 203 38.904 32.218 37.504 1.00 15.54 C ATOM 1363 O TYR B 203 37.678 32.118 37.561 1.00 18.23 O ATOM 1364 CB TYR B 203 40.500 30.885 38.821 1.00 13.91 C ATOM 1365 CG TYR B 203 41.739 30.898 39.682 1.00 14.90 C ATOM 1366 CD1 TYR B 203 41.645 30.982 41.075 1.00 14.79 C ATOM 1367 CD2 TYR B 203 43.008 30.844 39.105 1.00 12.56 C ATOM 1368 CE1 TYR B 203 42.787 31.015 41.877 1.00 14.41 C ATOM 1369 CE2 TYR B 203 44.159 30.879 39.892 1.00 14.79 C ATOM 1370 CZ TYR B 203 44.041 30.968 41.278 1.00 16.55 C ATOM 1371 OH TYR B 203 45.173 31.040 42.060 1.00 15.77 O ATOM 0 H TYR B 203 38.538 31.859 40.273 1.00 14.09 H new ATOM 0 HA TYR B 203 40.363 32.983 38.673 1.00 14.81 H new ATOM 0 HB2 TYR B 203 39.892 30.209 39.159 1.00 13.91 H new ATOM 0 HB3 TYR B 203 40.747 30.620 37.921 1.00 13.91 H new ATOM 0 HD1 TYR B 203 40.806 31.017 41.474 1.00 14.79 H new ATOM 0 HD2 TYR B 203 43.088 30.784 38.180 1.00 12.56 H new ATOM 0 HE1 TYR B 203 42.710 31.068 42.802 1.00 14.41 H new ATOM 0 HE2 TYR B 203 44.999 30.843 39.495 1.00 14.79 H new ATOM 0 HH TYR B 203 45.855 30.999 41.571 1.00 15.77 H new ATOM 1372 N TYR B 204 39.581 32.319 36.365 1.00 14.92 N ATOM 1373 CA TYR B 204 38.927 32.269 35.071 1.00 13.52 C ATOM 1374 C TYR B 204 38.520 30.813 34.868 1.00 12.44 C ATOM 1375 O TYR B 204 38.970 29.926 35.594 1.00 10.04 O ATOM 1376 CB TYR B 204 39.898 32.649 33.949 1.00 14.62 C ATOM 1377 CG TYR B 204 40.127 34.128 33.735 1.00 18.51 C ATOM 1378 CD1 TYR B 204 41.342 34.720 34.073 1.00 19.18 C ATOM 1379 CD2 TYR B 204 39.152 34.925 33.128 1.00 22.42 C ATOM 1380 CE1 TYR B 204 41.588 36.064 33.808 1.00 21.03 C ATOM 1381 CE2 TYR B 204 39.387 36.275 32.857 1.00 22.19 C ATOM 1382 CZ TYR B 204 40.609 36.836 33.198 1.00 23.35 C ATOM 1383 OH TYR B 204 40.858 38.163 32.919 1.00 25.53 O ATOM 0 H TYR B 204 40.434 32.419 36.325 1.00 14.92 H new ATOM 0 HA TYR B 204 38.178 32.885 35.047 1.00 13.52 H new ATOM 0 HB2 TYR B 204 40.754 32.232 34.133 1.00 14.62 H new ATOM 0 HB3 TYR B 204 39.569 32.269 33.120 1.00 14.62 H new ATOM 0 HD1 TYR B 204 42.001 34.208 34.483 1.00 19.18 H new ATOM 0 HD2 TYR B 204 38.332 34.550 32.901 1.00 22.42 H new ATOM 0 HE1 TYR B 204 42.405 36.443 34.039 1.00 21.03 H new ATOM 0 HE2 TYR B 204 38.730 36.793 32.451 1.00 22.19 H new ATOM 0 HH TYR B 204 40.184 38.504 32.552 1.00 25.53 H new ATOM 1384 N SER B 205 37.663 30.574 33.884 1.00 12.39 N ATOM 1385 CA SER B 205 37.232 29.224 33.550 1.00 12.59 C ATOM 1386 C SER B 205 37.523 29.115 32.060 1.00 12.48 C ATOM 1387 O SER B 205 37.245 30.049 31.304 1.00 11.99 O ATOM 1388 CB SER B 205 35.743 29.039 33.825 1.00 12.04 C ATOM 1389 OG SER B 205 35.380 27.677 33.686 1.00 15.29 O ATOM 0 H SER B 205 37.316 31.188 33.392 1.00 12.39 H new ATOM 0 HA SER B 205 37.684 28.546 34.076 1.00 12.59 H new ATOM 0 HB2 SER B 205 35.533 29.346 34.721 1.00 12.04 H new ATOM 0 HB3 SER B 205 35.225 29.582 33.211 1.00 12.04 H new ATOM 0 HG SER B 205 34.863 27.459 34.311 1.00 15.29 H new ATOM 1390 N TRP B 206 38.093 27.991 31.640 1.00 12.81 N ATOM 1391 CA TRP B 206 38.458 27.816 30.242 1.00 15.18 C ATOM 1392 C TRP B 206 37.496 27.006 29.390 1.00 17.05 C ATOM 1393 O TRP B 206 36.898 26.026 29.840 1.00 18.47 O ATOM 1394 CB TRP B 206 39.865 27.227 30.143 1.00 14.64 C ATOM 1395 CG TRP B 206 40.897 28.155 30.687 1.00 16.29 C ATOM 1396 CD1 TRP B 206 41.332 28.234 31.976 1.00 16.12 C ATOM 1397 CD2 TRP B 206 41.572 29.195 29.970 1.00 16.62 C ATOM 1398 NE1 TRP B 206 42.236 29.260 32.110 1.00 16.97 N ATOM 1399 CE2 TRP B 206 42.401 29.867 30.893 1.00 17.36 C ATOM 1400 CE3 TRP B 206 41.555 29.626 28.637 1.00 16.05 C ATOM 1401 CZ2 TRP B 206 43.207 30.948 30.527 1.00 18.10 C ATOM 1402 CZ3 TRP B 206 42.355 30.700 28.273 1.00 16.91 C ATOM 1403 CH2 TRP B 206 43.170 31.349 29.217 1.00 18.60 C ATOM 0 H TRP B 206 38.276 27.321 32.147 1.00 12.81 H new ATOM 0 HA TRP B 206 38.417 28.710 29.867 1.00 15.18 H new ATOM 0 HB2 TRP B 206 39.898 26.387 30.628 1.00 14.64 H new ATOM 0 HB3 TRP B 206 40.067 27.027 29.215 1.00 14.64 H new ATOM 0 HD1 TRP B 206 41.057 27.674 32.666 1.00 16.12 H new ATOM 0 HE1 TRP B 206 42.633 29.484 32.839 1.00 16.97 H new ATOM 0 HE3 TRP B 206 41.018 29.201 28.008 1.00 16.05 H new ATOM 0 HZ2 TRP B 206 43.748 31.379 31.149 1.00 18.10 H new ATOM 0 HZ3 TRP B 206 42.352 30.995 27.391 1.00 16.91 H new ATOM 0 HH2 TRP B 206 43.696 32.067 28.946 1.00 18.60 H new ATOM 1404 N ARG B 207 37.372 27.435 28.141 1.00 17.90 N ATOM 1405 CA ARG B 207 36.484 26.812 27.177 1.00 18.72 C ATOM 1406 C ARG B 207 37.144 26.780 25.815 1.00 19.90 C ATOM 1407 O ARG B 207 37.725 27.770 25.372 1.00 21.41 O ATOM 1408 CB ARG B 207 35.182 27.608 27.103 1.00 16.20 C ATOM 1409 CG ARG B 207 34.300 27.299 25.925 1.00 17.92 C ATOM 1410 CD ARG B 207 32.942 27.966 26.101 1.00 18.61 C ATOM 1411 NE ARG B 207 33.065 29.390 26.404 1.00 19.81 N ATOM 1412 CZ ARG B 207 33.517 30.304 25.550 1.00 22.32 C ATOM 1413 NH1 ARG B 207 33.892 29.949 24.328 1.00 21.70 N ATOM 1414 NH2 ARG B 207 33.597 31.575 25.920 1.00 24.07 N ATOM 0 H ARG B 207 37.809 28.106 27.827 1.00 17.90 H new ATOM 0 HA ARG B 207 36.292 25.903 27.455 1.00 18.72 H new ATOM 0 HB2 ARG B 207 34.677 27.449 27.916 1.00 16.20 H new ATOM 0 HB3 ARG B 207 35.400 28.553 27.085 1.00 16.20 H new ATOM 0 HG2 ARG B 207 34.718 27.611 25.108 1.00 17.92 H new ATOM 0 HG3 ARG B 207 34.188 26.339 25.838 1.00 17.92 H new ATOM 0 HD2 ARG B 207 32.420 27.853 25.291 1.00 18.61 H new ATOM 0 HD3 ARG B 207 32.457 27.525 26.816 1.00 18.61 H new ATOM 0 HE ARG B 207 32.829 29.655 27.187 1.00 19.81 H new ATOM 0 HH11 ARG B 207 33.843 29.125 24.086 1.00 21.70 H new ATOM 0 HH12 ARG B 207 34.184 30.543 23.778 1.00 21.70 H new ATOM 0 HH21 ARG B 207 33.357 31.808 26.712 1.00 24.07 H new ATOM 0 HH22 ARG B 207 33.889 32.166 25.368 1.00 24.07 H new ATOM 1415 N ASN B 208 37.070 25.629 25.159 1.00 21.48 N ATOM 1416 CA ASN B 208 37.644 25.480 23.831 1.00 21.82 C ATOM 1417 C ASN B 208 36.538 25.848 22.846 1.00 22.67 C ATOM 1418 O ASN B 208 35.477 25.222 22.829 1.00 21.26 O ATOM 1419 CB ASN B 208 38.109 24.038 23.620 1.00 20.52 C ATOM 1420 CG ASN B 208 38.690 23.814 22.250 1.00 17.36 C ATOM 1421 OD1 ASN B 208 37.984 23.891 21.248 1.00 17.85 O ATOM 1422 ND2 ASN B 208 39.986 23.546 22.194 1.00 14.92 N ATOM 0 H ASN B 208 36.691 24.921 25.467 1.00 21.48 H new ATOM 0 HA ASN B 208 38.419 26.050 23.708 1.00 21.82 H new ATOM 0 HB2 ASN B 208 38.774 23.814 24.290 1.00 20.52 H new ATOM 0 HB3 ASN B 208 37.359 23.437 23.752 1.00 20.52 H new ATOM 0 HD21 ASN B 208 40.366 23.418 21.433 1.00 14.92 H new ATOM 0 HD22 ASN B 208 40.447 23.500 22.918 1.00 14.92 H new ATOM 1423 N SER B 209 36.787 26.872 22.037 1.00 25.62 N ATOM 1424 CA SER B 209 35.794 27.354 21.080 1.00 29.07 C ATOM 1425 C SER B 209 35.220 26.275 20.173 1.00 29.50 C ATOM 1426 O SER B 209 34.186 26.480 19.540 1.00 31.68 O ATOM 1427 CB SER B 209 36.385 28.485 20.233 1.00 28.85 C ATOM 1428 OG SER B 209 37.507 28.035 19.496 1.00 35.23 O ATOM 0 H SER B 209 37.530 27.305 22.026 1.00 25.62 H new ATOM 0 HA SER B 209 35.051 27.678 21.613 1.00 29.07 H new ATOM 0 HB2 SER B 209 35.710 28.825 19.625 1.00 28.85 H new ATOM 0 HB3 SER B 209 36.646 29.222 20.808 1.00 28.85 H new ATOM 0 HG SER B 209 37.814 28.669 19.038 1.00 35.23 H new ATOM 1429 N LYS B 210 35.877 25.123 20.120 1.00 30.90 N ATOM 1430 CA LYS B 210 35.412 24.028 19.279 1.00 30.77 C ATOM 1431 C LYS B 210 34.915 22.820 20.069 1.00 30.23 C ATOM 1432 O LYS B 210 33.802 22.350 19.852 1.00 30.02 O ATOM 1433 CB LYS B 210 36.531 23.581 18.334 1.00 33.17 C ATOM 1434 CG LYS B 210 36.152 22.404 17.443 1.00 37.87 C ATOM 1435 CD LYS B 210 37.334 21.904 16.621 1.00 40.96 C ATOM 1436 CE LYS B 210 38.407 21.268 17.502 1.00 43.80 C ATOM 1437 NZ LYS B 210 39.565 20.747 16.715 1.00 43.09 N ATOM 0 H LYS B 210 36.594 24.955 20.563 1.00 30.90 H new ATOM 0 HA LYS B 210 34.656 24.374 18.780 1.00 30.77 H new ATOM 0 HB2 LYS B 210 36.788 24.330 17.774 1.00 33.17 H new ATOM 0 HB3 LYS B 210 37.310 23.340 18.860 1.00 33.17 H new ATOM 0 HG2 LYS B 210 35.812 21.680 17.992 1.00 37.87 H new ATOM 0 HG3 LYS B 210 35.434 22.669 16.847 1.00 37.87 H new ATOM 0 HD2 LYS B 210 37.024 21.256 15.969 1.00 40.96 H new ATOM 0 HD3 LYS B 210 37.719 22.643 16.125 1.00 40.96 H new ATOM 0 HE2 LYS B 210 38.725 21.924 18.142 1.00 43.80 H new ATOM 0 HE3 LYS B 210 38.014 20.542 18.011 1.00 43.80 H new ATOM 0 HZ1 LYS B 210 40.162 20.387 17.268 1.00 43.09 H new ATOM 0 HZ2 LYS B 210 39.281 20.128 16.142 1.00 43.09 H new ATOM 0 HZ3 LYS B 210 39.943 21.415 16.265 1.00 43.09 H new ATOM 1438 N ASP B 211 35.740 22.326 20.988 1.00 29.23 N ATOM 1439 CA ASP B 211 35.397 21.144 21.778 1.00 28.74 C ATOM 1440 C ASP B 211 34.550 21.381 23.022 1.00 26.67 C ATOM 1441 O ASP B 211 34.069 20.429 23.635 1.00 27.31 O ATOM 1442 CB ASP B 211 36.679 20.407 22.185 1.00 30.87 C ATOM 1443 CG ASP B 211 37.584 20.115 21.000 1.00 33.53 C ATOM 1444 OD1 ASP B 211 37.085 19.546 20.003 1.00 31.60 O ATOM 1445 OD2 ASP B 211 38.792 20.452 21.069 1.00 34.68 O ATOM 0 H ASP B 211 36.510 22.663 21.171 1.00 29.23 H new ATOM 0 HA ASP B 211 34.836 20.617 21.187 1.00 28.74 H new ATOM 0 HB2 ASP B 211 37.163 20.941 22.834 1.00 30.87 H new ATOM 0 HB3 ASP B 211 36.444 19.573 22.622 1.00 30.87 H new ATOM 1446 N GLY B 212 34.368 22.639 23.402 1.00 25.07 N ATOM 1447 CA GLY B 212 33.582 22.933 24.589 1.00 22.05 C ATOM 1448 C GLY B 212 34.457 23.237 25.793 1.00 19.57 C ATOM 1449 O GLY B 212 35.686 23.211 25.701 1.00 18.10 O ATOM 0 H GLY B 212 34.686 23.326 22.994 1.00 25.07 H new ATOM 0 HA2 GLY B 212 33.003 23.691 24.412 1.00 22.05 H new ATOM 0 HA3 GLY B 212 33.008 22.178 24.790 1.00 22.05 H new ATOM 1450 N SER B 213 33.829 23.529 26.927 1.00 17.63 N ATOM 1451 CA SER B 213 34.577 23.842 28.141 1.00 15.66 C ATOM 1452 C SER B 213 35.264 22.598 28.699 1.00 15.94 C ATOM 1453 O SER B 213 34.756 21.479 28.570 1.00 15.48 O ATOM 1454 CB SER B 213 33.648 24.435 29.204 1.00 15.27 C ATOM 1455 OG SER B 213 32.751 23.461 29.703 1.00 12.34 O ATOM 0 H SER B 213 32.974 23.552 27.015 1.00 17.63 H new ATOM 0 HA SER B 213 35.257 24.494 27.909 1.00 15.66 H new ATOM 0 HB2 SER B 213 34.176 24.795 29.933 1.00 15.27 H new ATOM 0 HB3 SER B 213 33.148 25.174 28.824 1.00 15.27 H new ATOM 0 HG SER B 213 32.080 23.414 29.200 1.00 12.34 H new ATOM 1456 N TRP B 214 36.421 22.804 29.321 1.00 14.36 N ATOM 1457 CA TRP B 214 37.191 21.709 29.897 1.00 14.54 C ATOM 1458 C TRP B 214 36.382 20.938 30.928 1.00 13.51 C ATOM 1459 O TRP B 214 36.420 19.709 30.968 1.00 13.63 O ATOM 1460 CB TRP B 214 38.460 22.249 30.566 1.00 14.73 C ATOM 1461 CG TRP B 214 39.384 22.993 29.648 1.00 13.21 C ATOM 1462 CD1 TRP B 214 39.255 23.152 28.294 1.00 13.03 C ATOM 1463 CD2 TRP B 214 40.593 23.663 30.016 1.00 13.50 C ATOM 1464 NE1 TRP B 214 40.309 23.881 27.798 1.00 11.34 N ATOM 1465 CE2 TRP B 214 41.146 24.210 28.833 1.00 12.98 C ATOM 1466 CE3 TRP B 214 41.264 23.860 31.232 1.00 12.66 C ATOM 1467 CZ2 TRP B 214 42.339 24.937 28.830 1.00 12.11 C ATOM 1468 CZ3 TRP B 214 42.450 24.584 31.229 1.00 12.68 C ATOM 1469 CH2 TRP B 214 42.974 25.116 30.034 1.00 13.90 C ATOM 0 H TRP B 214 36.780 23.579 29.420 1.00 14.36 H new ATOM 0 HA TRP B 214 37.425 21.108 29.173 1.00 14.54 H new ATOM 0 HB2 TRP B 214 38.202 22.838 31.293 1.00 14.73 H new ATOM 0 HB3 TRP B 214 38.944 21.507 30.960 1.00 14.73 H new ATOM 0 HD1 TRP B 214 38.555 22.815 27.783 1.00 13.03 H new ATOM 0 HE1 TRP B 214 40.425 24.096 26.973 1.00 11.34 H new ATOM 0 HE3 TRP B 214 40.922 23.513 32.024 1.00 12.66 H new ATOM 0 HZ2 TRP B 214 42.690 25.286 28.043 1.00 12.11 H new ATOM 0 HZ3 TRP B 214 42.905 24.720 32.029 1.00 12.68 H new ATOM 0 HH2 TRP B 214 43.768 25.599 30.062 1.00 13.90 H new ATOM 1470 N PHE B 215 35.650 21.676 31.755 1.00 13.74 N ATOM 1471 CA PHE B 215 34.826 21.104 32.819 1.00 13.30 C ATOM 1472 C PHE B 215 33.679 20.233 32.317 1.00 13.43 C ATOM 1473 O PHE B 215 33.532 19.093 32.740 1.00 16.08 O ATOM 1474 CB PHE B 215 34.275 22.234 33.693 1.00 11.57 C ATOM 1475 CG PHE B 215 33.497 21.762 34.890 1.00 11.48 C ATOM 1476 CD1 PHE B 215 34.057 20.856 35.789 1.00 7.93 C ATOM 1477 CD2 PHE B 215 32.221 22.265 35.148 1.00 10.82 C ATOM 1478 CE1 PHE B 215 33.365 20.460 36.929 1.00 7.11 C ATOM 1479 CE2 PHE B 215 31.514 21.876 36.290 1.00 12.20 C ATOM 1480 CZ PHE B 215 32.089 20.970 37.187 1.00 9.43 C ATOM 0 H PHE B 215 35.616 22.534 31.715 1.00 13.74 H new ATOM 0 HA PHE B 215 35.404 20.516 33.331 1.00 13.30 H new ATOM 0 HB2 PHE B 215 35.014 22.785 33.996 1.00 11.57 H new ATOM 0 HB3 PHE B 215 33.703 22.800 33.151 1.00 11.57 H new ATOM 0 HD1 PHE B 215 34.905 20.511 35.624 1.00 7.93 H new ATOM 0 HD2 PHE B 215 31.836 22.867 34.553 1.00 10.82 H new ATOM 0 HE1 PHE B 215 33.752 19.855 37.520 1.00 7.11 H new ATOM 0 HE2 PHE B 215 30.665 22.218 36.452 1.00 12.20 H new ATOM 0 HZ PHE B 215 31.626 20.709 37.950 1.00 9.43 H new ATOM 1481 N ILE B 216 32.855 20.763 31.422 1.00 14.11 N ATOM 1482 CA ILE B 216 31.736 19.988 30.907 1.00 13.40 C ATOM 1483 C ILE B 216 32.208 18.745 30.147 1.00 14.39 C ATOM 1484 O ILE B 216 31.639 17.668 30.305 1.00 15.99 O ATOM 1485 CB ILE B 216 30.841 20.860 30.009 1.00 12.59 C ATOM 1486 CG1 ILE B 216 30.391 22.098 30.793 1.00 16.03 C ATOM 1487 CG2 ILE B 216 29.629 20.078 29.546 1.00 10.21 C ATOM 1488 CD1 ILE B 216 29.661 21.797 32.107 1.00 15.61 C ATOM 0 H ILE B 216 32.925 21.559 31.104 1.00 14.11 H new ATOM 0 HA ILE B 216 31.216 19.686 31.668 1.00 13.40 H new ATOM 0 HB ILE B 216 31.348 21.132 29.228 1.00 12.59 H new ATOM 0 HG12 ILE B 216 31.170 22.643 30.988 1.00 16.03 H new ATOM 0 HG13 ILE B 216 29.808 22.629 30.228 1.00 16.03 H new ATOM 0 HG21 ILE B 216 29.076 20.641 28.982 1.00 10.21 H new ATOM 0 HG22 ILE B 216 29.918 19.301 29.042 1.00 10.21 H new ATOM 0 HG23 ILE B 216 29.115 19.790 30.317 1.00 10.21 H new ATOM 0 HD11 ILE B 216 29.412 22.630 32.537 1.00 15.61 H new ATOM 0 HD12 ILE B 216 28.863 21.278 31.922 1.00 15.61 H new ATOM 0 HD13 ILE B 216 30.246 21.292 32.694 1.00 15.61 H new ATOM 1489 N GLN B 217 33.246 18.886 29.327 1.00 14.91 N ATOM 1490 CA GLN B 217 33.769 17.739 28.589 1.00 15.46 C ATOM 1491 C GLN B 217 34.124 16.653 29.598 1.00 14.29 C ATOM 1492 O GLN B 217 33.706 15.503 29.478 1.00 13.18 O ATOM 1493 CB GLN B 217 35.057 18.088 27.835 1.00 17.68 C ATOM 1494 CG GLN B 217 34.943 19.032 26.658 1.00 20.17 C ATOM 1495 CD GLN B 217 36.299 19.243 25.990 1.00 21.64 C ATOM 1496 OE1 GLN B 217 36.914 18.288 25.495 1.00 20.37 O ATOM 1497 NE2 GLN B 217 36.778 20.491 25.984 1.00 19.20 N ATOM 0 H GLN B 217 33.658 19.627 29.185 1.00 14.91 H new ATOM 0 HA GLN B 217 33.094 17.456 27.952 1.00 15.46 H new ATOM 0 HB2 GLN B 217 35.680 18.475 28.470 1.00 17.68 H new ATOM 0 HB3 GLN B 217 35.452 17.261 27.518 1.00 17.68 H new ATOM 0 HG2 GLN B 217 34.313 18.674 26.013 1.00 20.17 H new ATOM 0 HG3 GLN B 217 34.590 19.885 26.956 1.00 20.17 H new ATOM 0 HE21 GLN B 217 36.322 21.128 26.338 1.00 19.20 H new ATOM 0 HE22 GLN B 217 37.542 20.656 25.626 1.00 19.20 H new ATOM 1498 N SER B 218 34.914 17.039 30.591 1.00 12.91 N ATOM 1499 CA SER B 218 35.358 16.111 31.613 1.00 13.46 C ATOM 1500 C SER B 218 34.219 15.554 32.444 1.00 13.84 C ATOM 1501 O SER B 218 34.195 14.357 32.739 1.00 15.09 O ATOM 1502 CB SER B 218 36.388 16.782 32.518 1.00 11.77 C ATOM 1503 OG SER B 218 37.564 17.076 31.786 1.00 11.55 O ATOM 0 H SER B 218 35.205 17.842 30.689 1.00 12.91 H new ATOM 0 HA SER B 218 35.762 15.359 31.152 1.00 13.46 H new ATOM 0 HB2 SER B 218 36.018 17.598 32.891 1.00 11.77 H new ATOM 0 HB3 SER B 218 36.601 16.200 33.264 1.00 11.77 H new ATOM 0 HG SER B 218 37.488 17.831 31.425 1.00 11.55 H new ATOM 1504 N LEU B 219 33.275 16.412 32.818 1.00 13.43 N ATOM 1505 CA LEU B 219 32.139 15.978 33.622 1.00 13.45 C ATOM 1506 C LEU B 219 31.325 14.902 32.915 1.00 14.02 C ATOM 1507 O LEU B 219 31.110 13.818 33.461 1.00 15.07 O ATOM 1508 CB LEU B 219 31.237 17.166 33.957 1.00 14.64 C ATOM 1509 CG LEU B 219 29.952 16.839 34.727 1.00 14.72 C ATOM 1510 CD1 LEU B 219 30.284 16.041 35.987 1.00 13.06 C ATOM 1511 CD2 LEU B 219 29.231 18.131 35.074 1.00 13.24 C ATOM 0 H LEU B 219 33.274 17.248 32.617 1.00 13.43 H new ATOM 0 HA LEU B 219 32.494 15.599 34.441 1.00 13.45 H new ATOM 0 HB2 LEU B 219 31.751 17.803 34.477 1.00 14.64 H new ATOM 0 HB3 LEU B 219 30.993 17.608 33.129 1.00 14.64 H new ATOM 0 HG LEU B 219 29.369 16.296 34.174 1.00 14.72 H new ATOM 0 HD11 LEU B 219 29.466 15.839 36.467 1.00 13.06 H new ATOM 0 HD12 LEU B 219 30.726 15.214 35.739 1.00 13.06 H new ATOM 0 HD13 LEU B 219 30.871 16.563 36.556 1.00 13.06 H new ATOM 0 HD21 LEU B 219 28.417 17.927 35.561 1.00 13.24 H new ATOM 0 HD22 LEU B 219 29.806 18.685 35.624 1.00 13.24 H new ATOM 0 HD23 LEU B 219 29.008 18.607 34.258 1.00 13.24 H new ATOM 1512 N CYS B 220 30.880 15.200 31.697 1.00 13.47 N ATOM 1513 CA CYS B 220 30.087 14.250 30.929 1.00 13.14 C ATOM 1514 C CYS B 220 30.850 12.940 30.718 1.00 13.32 C ATOM 1515 O CYS B 220 30.296 11.848 30.891 1.00 13.16 O ATOM 1516 CB CYS B 220 29.700 14.861 29.576 1.00 15.37 C ATOM 1517 SG CYS B 220 28.605 16.316 29.669 1.00 17.30 S ATOM 0 H CYS B 220 31.027 15.948 31.299 1.00 13.47 H new ATOM 0 HA CYS B 220 29.281 14.052 31.431 1.00 13.14 H new ATOM 0 HB2 CYS B 220 30.511 15.113 29.107 1.00 15.37 H new ATOM 0 HB3 CYS B 220 29.264 14.179 29.042 1.00 15.37 H new ATOM 0 HG CYS B 220 28.949 17.129 28.856 1.00 17.30 H new ATOM 1518 N ALA B 221 32.124 13.053 30.351 1.00 11.95 N ATOM 1519 CA ALA B 221 32.953 11.882 30.120 1.00 9.58 C ATOM 1520 C ALA B 221 33.015 10.991 31.365 1.00 9.47 C ATOM 1521 O ALA B 221 32.875 9.778 31.270 1.00 9.43 O ATOM 1522 CB ALA B 221 34.351 12.308 29.695 1.00 5.88 C ATOM 0 H ALA B 221 32.526 13.804 30.231 1.00 11.95 H new ATOM 0 HA ALA B 221 32.552 11.362 29.406 1.00 9.58 H new ATOM 0 HB1 ALA B 221 34.897 11.521 29.543 1.00 5.88 H new ATOM 0 HB2 ALA B 221 34.297 12.826 28.877 1.00 5.88 H new ATOM 0 HB3 ALA B 221 34.751 12.849 30.394 1.00 5.88 H new ATOM 1523 N MET B 222 33.211 11.590 32.535 1.00 10.60 N ATOM 1524 CA MET B 222 33.272 10.806 33.771 1.00 12.45 C ATOM 1525 C MET B 222 31.901 10.239 34.175 1.00 13.12 C ATOM 1526 O MET B 222 31.825 9.158 34.758 1.00 15.02 O ATOM 1527 CB MET B 222 33.850 11.648 34.918 1.00 11.56 C ATOM 1528 CG MET B 222 35.289 12.120 34.694 1.00 10.66 C ATOM 1529 SD MET B 222 36.516 10.794 34.632 1.00 12.19 S ATOM 1530 CE MET B 222 36.316 10.175 32.936 1.00 10.83 C ATOM 0 H MET B 222 33.310 12.438 32.638 1.00 10.60 H new ATOM 0 HA MET B 222 33.858 10.053 33.596 1.00 12.45 H new ATOM 0 HB2 MET B 222 33.284 12.424 35.052 1.00 11.56 H new ATOM 0 HB3 MET B 222 33.816 11.127 35.736 1.00 11.56 H new ATOM 0 HG2 MET B 222 35.327 12.619 33.863 1.00 10.66 H new ATOM 0 HG3 MET B 222 35.530 12.734 35.405 1.00 10.66 H new ATOM 0 HE1 MET B 222 37.189 10.048 32.533 1.00 10.83 H new ATOM 0 HE2 MET B 222 35.842 9.329 32.954 1.00 10.83 H new ATOM 0 HE3 MET B 222 35.810 10.817 32.414 1.00 10.83 H new ATOM 1531 N LEU B 223 30.821 10.959 33.876 1.00 12.32 N ATOM 1532 CA LEU B 223 29.489 10.467 34.206 1.00 11.24 C ATOM 1533 C LEU B 223 29.137 9.275 33.321 1.00 13.24 C ATOM 1534 O LEU B 223 28.597 8.279 33.794 1.00 12.04 O ATOM 1535 CB LEU B 223 28.439 11.567 34.031 1.00 9.86 C ATOM 1536 CG LEU B 223 28.307 12.593 35.163 1.00 11.06 C ATOM 1537 CD1 LEU B 223 27.295 13.657 34.768 1.00 7.11 C ATOM 1538 CD2 LEU B 223 27.875 11.890 36.458 1.00 6.34 C ATOM 0 H LEU B 223 30.839 11.726 33.487 1.00 12.32 H new ATOM 0 HA LEU B 223 29.492 10.190 35.135 1.00 11.24 H new ATOM 0 HB2 LEU B 223 28.639 12.047 33.212 1.00 9.86 H new ATOM 0 HB3 LEU B 223 27.576 11.142 33.907 1.00 9.86 H new ATOM 0 HG LEU B 223 29.165 13.019 35.317 1.00 11.06 H new ATOM 0 HD11 LEU B 223 27.211 14.306 35.484 1.00 7.11 H new ATOM 0 HD12 LEU B 223 27.593 14.104 33.960 1.00 7.11 H new ATOM 0 HD13 LEU B 223 26.434 13.241 34.607 1.00 7.11 H new ATOM 0 HD21 LEU B 223 27.793 12.544 37.170 1.00 6.34 H new ATOM 0 HD22 LEU B 223 27.019 11.454 36.320 1.00 6.34 H new ATOM 0 HD23 LEU B 223 28.539 11.227 36.703 1.00 6.34 H new ATOM 1539 N LYS B 224 29.452 9.369 32.035 1.00 15.78 N ATOM 1540 CA LYS B 224 29.152 8.271 31.125 1.00 18.08 C ATOM 1541 C LYS B 224 29.907 7.007 31.520 1.00 15.75 C ATOM 1542 O LYS B 224 29.450 5.896 31.269 1.00 15.60 O ATOM 1543 CB LYS B 224 29.510 8.657 29.689 1.00 19.68 C ATOM 1544 CG LYS B 224 28.679 9.801 29.143 1.00 25.77 C ATOM 1545 CD LYS B 224 29.225 10.298 27.812 1.00 29.42 C ATOM 1546 CE LYS B 224 28.582 11.622 27.416 1.00 31.15 C ATOM 1547 NZ LYS B 224 29.324 12.297 26.305 1.00 32.42 N ATOM 0 H LYS B 224 29.834 10.049 31.673 1.00 15.78 H new ATOM 0 HA LYS B 224 28.200 8.091 31.181 1.00 18.08 H new ATOM 0 HB2 LYS B 224 30.448 8.902 29.652 1.00 19.68 H new ATOM 0 HB3 LYS B 224 29.397 7.883 29.116 1.00 19.68 H new ATOM 0 HG2 LYS B 224 27.761 9.510 29.030 1.00 25.77 H new ATOM 0 HG3 LYS B 224 28.669 10.530 29.783 1.00 25.77 H new ATOM 0 HD2 LYS B 224 30.187 10.408 27.874 1.00 29.42 H new ATOM 0 HD3 LYS B 224 29.059 9.636 27.123 1.00 29.42 H new ATOM 0 HE2 LYS B 224 27.664 11.466 27.143 1.00 31.15 H new ATOM 0 HE3 LYS B 224 28.552 12.209 28.187 1.00 31.15 H new ATOM 0 HZ1 LYS B 224 29.369 13.171 26.466 1.00 32.42 H new ATOM 0 HZ2 LYS B 224 30.147 11.963 26.251 1.00 32.42 H new ATOM 0 HZ3 LYS B 224 28.897 12.159 25.536 1.00 32.42 H new ATOM 1548 N GLN B 225 31.053 7.183 32.162 1.00 15.27 N ATOM 1549 CA GLN B 225 31.877 6.051 32.562 1.00 16.09 C ATOM 1550 C GLN B 225 31.696 5.539 33.989 1.00 14.00 C ATOM 1551 O GLN B 225 31.876 4.348 34.241 1.00 12.43 O ATOM 1552 CB GLN B 225 33.356 6.392 32.318 1.00 19.26 C ATOM 1553 CG GLN B 225 34.359 5.472 33.009 1.00 23.60 C ATOM 1554 CD GLN B 225 35.769 5.602 32.444 1.00 27.99 C ATOM 1555 OE1 GLN B 225 36.228 6.705 32.125 1.00 28.89 O ATOM 1556 NE2 GLN B 225 36.468 4.472 32.329 1.00 26.77 N ATOM 0 H GLN B 225 31.373 7.952 32.376 1.00 15.27 H new ATOM 0 HA GLN B 225 31.570 5.317 32.008 1.00 16.09 H new ATOM 0 HB2 GLN B 225 33.524 6.371 31.363 1.00 19.26 H new ATOM 0 HB3 GLN B 225 33.516 7.302 32.614 1.00 19.26 H new ATOM 0 HG2 GLN B 225 34.376 5.673 33.958 1.00 23.60 H new ATOM 0 HG3 GLN B 225 34.063 4.553 32.919 1.00 23.60 H new ATOM 0 HE21 GLN B 225 36.115 3.723 32.561 1.00 26.77 H new ATOM 0 HE22 GLN B 225 37.271 4.493 32.023 1.00 26.77 H new ATOM 1557 N TYR B 226 31.323 6.415 34.915 1.00 12.77 N ATOM 1558 CA TYR B 226 31.184 6.003 36.310 1.00 13.89 C ATOM 1559 C TYR B 226 29.829 6.205 36.983 1.00 15.64 C ATOM 1560 O TYR B 226 29.642 5.789 38.130 1.00 15.48 O ATOM 1561 CB TYR B 226 32.255 6.705 37.151 1.00 12.26 C ATOM 1562 CG TYR B 226 33.669 6.403 36.717 1.00 11.78 C ATOM 1563 CD1 TYR B 226 34.225 5.138 36.918 1.00 10.19 C ATOM 1564 CD2 TYR B 226 34.449 7.378 36.090 1.00 11.55 C ATOM 1565 CE1 TYR B 226 35.523 4.851 36.508 1.00 11.87 C ATOM 1566 CE2 TYR B 226 35.747 7.102 35.675 1.00 12.29 C ATOM 1567 CZ TYR B 226 36.278 5.835 35.888 1.00 14.44 C ATOM 1568 OH TYR B 226 37.564 5.552 35.484 1.00 20.09 O ATOM 0 H TYR B 226 31.147 7.243 34.761 1.00 12.77 H new ATOM 0 HA TYR B 226 31.287 5.039 36.271 1.00 13.89 H new ATOM 0 HB2 TYR B 226 32.111 7.663 37.108 1.00 12.26 H new ATOM 0 HB3 TYR B 226 32.148 6.443 38.079 1.00 12.26 H new ATOM 0 HD1 TYR B 226 33.719 4.477 37.333 1.00 10.19 H new ATOM 0 HD2 TYR B 226 34.094 8.226 35.948 1.00 11.55 H new ATOM 0 HE1 TYR B 226 35.882 4.005 36.649 1.00 11.87 H new ATOM 0 HE2 TYR B 226 36.256 7.760 35.258 1.00 12.29 H new ATOM 0 HH TYR B 226 37.624 4.737 35.288 1.00 20.09 H new ATOM 1569 N ALA B 227 28.886 6.838 36.294 1.00 16.08 N ATOM 1570 CA ALA B 227 27.579 7.080 36.891 1.00 16.14 C ATOM 1571 C ALA B 227 26.948 5.817 37.479 1.00 17.22 C ATOM 1572 O ALA B 227 26.257 5.885 38.495 1.00 18.94 O ATOM 1573 CB ALA B 227 26.644 7.708 35.874 1.00 15.41 C ATOM 0 H ALA B 227 28.980 7.132 35.491 1.00 16.08 H new ATOM 0 HA ALA B 227 27.719 7.694 37.629 1.00 16.14 H new ATOM 0 HB1 ALA B 227 25.778 7.864 36.283 1.00 15.41 H new ATOM 0 HB2 ALA B 227 27.015 8.552 35.571 1.00 15.41 H new ATOM 0 HB3 ALA B 227 26.540 7.110 35.117 1.00 15.41 H new ATOM 1574 N ASP B 228 27.185 4.667 36.858 1.00 15.39 N ATOM 1575 CA ASP B 228 26.607 3.431 37.366 1.00 18.54 C ATOM 1576 C ASP B 228 27.612 2.623 38.170 1.00 18.93 C ATOM 1577 O ASP B 228 27.459 1.416 38.318 1.00 20.71 O ATOM 1578 CB ASP B 228 26.055 2.575 36.213 1.00 19.03 C ATOM 1579 CG ASP B 228 27.149 2.009 35.319 1.00 21.98 C ATOM 1580 OD1 ASP B 228 28.333 2.343 35.528 1.00 21.67 O ATOM 1581 OD2 ASP B 228 26.823 1.224 34.398 1.00 24.95 O ATOM 0 H ASP B 228 27.670 4.581 36.153 1.00 15.39 H new ATOM 0 HA ASP B 228 25.880 3.680 37.958 1.00 18.54 H new ATOM 0 HB2 ASP B 228 25.533 1.844 36.580 1.00 19.03 H new ATOM 0 HB3 ASP B 228 25.452 3.113 35.677 1.00 19.03 H new ATOM 1582 N LYS B 229 28.629 3.289 38.706 1.00 20.44 N ATOM 1583 CA LYS B 229 29.664 2.594 39.467 1.00 22.02 C ATOM 1584 C LYS B 229 30.173 3.342 40.696 1.00 21.29 C ATOM 1585 O LYS B 229 30.565 2.717 41.677 1.00 22.44 O ATOM 1586 CB LYS B 229 30.873 2.305 38.568 1.00 24.93 C ATOM 1587 CG LYS B 229 30.572 1.584 37.263 1.00 27.41 C ATOM 1588 CD LYS B 229 31.842 1.457 36.425 1.00 29.51 C ATOM 1589 CE LYS B 229 31.588 0.741 35.108 1.00 31.61 C ATOM 1590 NZ LYS B 229 30.592 1.456 34.260 1.00 32.79 N ATOM 0 H LYS B 229 28.739 4.139 38.642 1.00 20.44 H new ATOM 0 HA LYS B 229 29.234 1.784 39.781 1.00 22.02 H new ATOM 0 HB2 LYS B 229 31.308 3.147 38.360 1.00 24.93 H new ATOM 0 HB3 LYS B 229 31.509 1.774 39.072 1.00 24.93 H new ATOM 0 HG2 LYS B 229 30.210 0.704 37.448 1.00 27.41 H new ATOM 0 HG3 LYS B 229 29.896 2.070 36.766 1.00 27.41 H new ATOM 0 HD2 LYS B 229 32.201 2.341 36.248 1.00 29.51 H new ATOM 0 HD3 LYS B 229 32.515 0.974 36.930 1.00 29.51 H new ATOM 0 HE2 LYS B 229 32.423 0.657 34.622 1.00 31.61 H new ATOM 0 HE3 LYS B 229 31.272 -0.158 35.287 1.00 31.61 H new ATOM 0 HZ1 LYS B 229 30.471 1.007 33.501 1.00 32.79 H new ATOM 0 HZ2 LYS B 229 29.818 1.515 34.696 1.00 32.79 H new ATOM 0 HZ3 LYS B 229 30.891 2.274 34.076 1.00 32.79 H new ATOM 1591 N LEU B 230 30.188 4.672 40.643 1.00 19.70 N ATOM 1592 CA LEU B 230 30.705 5.451 41.760 1.00 17.61 C ATOM 1593 C LEU B 230 29.758 6.468 42.374 1.00 16.42 C ATOM 1594 O LEU B 230 28.861 6.990 41.713 1.00 15.32 O ATOM 1595 CB LEU B 230 31.978 6.193 41.338 1.00 18.21 C ATOM 1596 CG LEU B 230 33.151 5.398 40.767 1.00 20.36 C ATOM 1597 CD1 LEU B 230 34.273 6.365 40.385 1.00 19.01 C ATOM 1598 CD2 LEU B 230 33.633 4.378 41.791 1.00 19.61 C ATOM 0 H LEU B 230 29.906 5.137 39.976 1.00 19.70 H new ATOM 0 HA LEU B 230 30.864 4.785 42.447 1.00 17.61 H new ATOM 0 HB2 LEU B 230 31.724 6.855 40.676 1.00 18.21 H new ATOM 0 HB3 LEU B 230 32.304 6.678 42.113 1.00 18.21 H new ATOM 0 HG LEU B 230 32.870 4.916 39.973 1.00 20.36 H new ATOM 0 HD11 LEU B 230 35.021 5.866 40.022 1.00 19.01 H new ATOM 0 HD12 LEU B 230 33.948 6.991 39.719 1.00 19.01 H new ATOM 0 HD13 LEU B 230 34.562 6.853 41.172 1.00 19.01 H new ATOM 0 HD21 LEU B 230 34.377 3.877 41.423 1.00 19.61 H new ATOM 0 HD22 LEU B 230 33.920 4.838 42.596 1.00 19.61 H new ATOM 0 HD23 LEU B 230 32.909 3.769 42.007 1.00 19.61 H new ATOM 1599 N GLU B 231 29.984 6.742 43.655 1.00 14.60 N ATOM 1600 CA GLU B 231 29.213 7.731 44.384 1.00 14.47 C ATOM 1601 C GLU B 231 29.582 9.060 43.703 1.00 14.81 C ATOM 1602 O GLU B 231 30.708 9.231 43.235 1.00 14.81 O ATOM 1603 CB GLU B 231 29.635 7.702 45.854 1.00 13.48 C ATOM 1604 CG GLU B 231 28.803 8.552 46.799 1.00 16.34 C ATOM 1605 CD GLU B 231 29.215 10.010 46.790 1.00 17.84 C ATOM 1606 OE1 GLU B 231 30.440 10.282 46.769 1.00 17.49 O ATOM 1607 OE2 GLU B 231 28.318 10.878 46.818 1.00 16.34 O ATOM 0 H GLU B 231 30.592 6.356 44.124 1.00 14.60 H new ATOM 0 HA GLU B 231 28.255 7.582 44.370 1.00 14.47 H new ATOM 0 HB2 GLU B 231 29.606 6.783 46.163 1.00 13.48 H new ATOM 0 HB3 GLU B 231 30.559 7.992 45.913 1.00 13.48 H new ATOM 0 HG2 GLU B 231 27.868 8.483 46.552 1.00 16.34 H new ATOM 0 HG3 GLU B 231 28.885 8.202 47.700 1.00 16.34 H new ATOM 1608 N PHE B 232 28.638 9.990 43.638 1.00 15.34 N ATOM 1609 CA PHE B 232 28.861 11.271 42.968 1.00 14.57 C ATOM 1610 C PHE B 232 30.149 12.031 43.285 1.00 14.42 C ATOM 1611 O PHE B 232 30.845 12.461 42.362 1.00 13.17 O ATOM 1612 CB PHE B 232 27.661 12.195 43.192 1.00 14.56 C ATOM 1613 CG PHE B 232 27.632 13.377 42.271 1.00 13.75 C ATOM 1614 CD1 PHE B 232 28.163 13.285 40.987 1.00 14.34 C ATOM 1615 CD2 PHE B 232 27.032 14.568 42.663 1.00 15.30 C ATOM 1616 CE1 PHE B 232 28.098 14.361 40.105 1.00 14.58 C ATOM 1617 CE2 PHE B 232 26.959 15.657 41.785 1.00 14.97 C ATOM 1618 CZ PHE B 232 27.494 15.549 40.502 1.00 14.64 C ATOM 0 H PHE B 232 27.853 9.900 43.978 1.00 15.34 H new ATOM 0 HA PHE B 232 28.968 11.014 42.039 1.00 14.57 H new ATOM 0 HB2 PHE B 232 26.844 11.685 43.077 1.00 14.56 H new ATOM 0 HB3 PHE B 232 27.672 12.510 44.109 1.00 14.56 H new ATOM 0 HD1 PHE B 232 28.567 12.493 40.714 1.00 14.34 H new ATOM 0 HD2 PHE B 232 26.675 14.643 43.518 1.00 15.30 H new ATOM 0 HE1 PHE B 232 28.458 14.285 39.251 1.00 14.58 H new ATOM 0 HE2 PHE B 232 26.555 16.449 42.057 1.00 14.97 H new ATOM 0 HZ PHE B 232 27.447 16.268 39.914 1.00 14.64 H new ATOM 1619 N MET B 233 30.463 12.215 44.569 1.00 12.88 N ATOM 1620 CA MET B 233 31.686 12.930 44.955 1.00 11.90 C ATOM 1621 C MET B 233 32.931 12.313 44.316 1.00 11.33 C ATOM 1622 O MET B 233 33.840 13.029 43.880 1.00 10.72 O ATOM 1623 CB MET B 233 31.854 12.942 46.476 1.00 11.66 C ATOM 1624 CG MET B 233 30.757 13.679 47.213 1.00 13.90 C ATOM 1625 SD MET B 233 30.609 15.390 46.673 1.00 22.07 S ATOM 1626 CE MET B 233 31.931 16.152 47.637 1.00 19.25 C ATOM 0 H MET B 233 29.986 11.937 45.228 1.00 12.88 H new ATOM 0 HA MET B 233 31.592 13.840 44.632 1.00 11.90 H new ATOM 0 HB2 MET B 233 31.886 12.027 46.795 1.00 11.66 H new ATOM 0 HB3 MET B 233 32.707 13.349 46.694 1.00 11.66 H new ATOM 0 HG2 MET B 233 29.912 13.223 47.073 1.00 13.90 H new ATOM 0 HG3 MET B 233 30.937 13.656 48.166 1.00 13.90 H new ATOM 0 HE1 MET B 233 31.908 17.114 47.514 1.00 19.25 H new ATOM 0 HE2 MET B 233 31.809 15.943 48.576 1.00 19.25 H new ATOM 0 HE3 MET B 233 32.788 15.809 47.339 1.00 19.25 H new ATOM 1627 N HIS B 234 32.969 10.985 44.263 1.00 10.58 N ATOM 1628 CA HIS B 234 34.096 10.285 43.664 1.00 10.54 C ATOM 1629 C HIS B 234 34.122 10.496 42.155 1.00 10.09 C ATOM 1630 O HIS B 234 35.187 10.468 41.539 1.00 7.19 O ATOM 1631 CB HIS B 234 34.028 8.797 43.997 1.00 12.48 C ATOM 1632 CG HIS B 234 34.320 8.493 45.433 1.00 15.88 C ATOM 1633 ND1 HIS B 234 34.224 7.224 45.962 1.00 16.36 N ATOM 1634 CD2 HIS B 234 34.697 9.300 46.454 1.00 14.51 C ATOM 1635 CE1 HIS B 234 34.527 7.263 47.248 1.00 17.02 C ATOM 1636 NE2 HIS B 234 34.817 8.511 47.571 1.00 17.11 N ATOM 0 H HIS B 234 32.351 10.472 44.569 1.00 10.58 H new ATOM 0 HA HIS B 234 34.916 10.649 44.033 1.00 10.54 H new ATOM 0 HB2 HIS B 234 33.144 8.464 43.776 1.00 12.48 H new ATOM 0 HB3 HIS B 234 34.660 8.318 43.438 1.00 12.48 H new ATOM 0 HD2 HIS B 234 34.846 10.217 46.407 1.00 14.51 H new ATOM 0 HE1 HIS B 234 34.535 6.535 47.827 1.00 17.02 H new ATOM 0 HE2 HIS B 234 35.044 8.785 48.354 1.00 17.11 H new ATOM 1637 N ILE B 235 32.951 10.701 41.558 1.00 9.99 N ATOM 1638 CA ILE B 235 32.895 10.949 40.124 1.00 11.22 C ATOM 1639 C ILE B 235 33.543 12.311 39.937 1.00 10.59 C ATOM 1640 O ILE B 235 34.467 12.472 39.143 1.00 10.29 O ATOM 1641 CB ILE B 235 31.457 11.086 39.583 1.00 12.12 C ATOM 1642 CG1 ILE B 235 30.578 9.920 40.039 1.00 14.96 C ATOM 1643 CG2 ILE B 235 31.503 11.173 38.066 1.00 11.07 C ATOM 1644 CD1 ILE B 235 30.923 8.597 39.441 1.00 19.41 C ATOM 0 H ILE B 235 32.190 10.701 41.959 1.00 9.99 H new ATOM 0 HA ILE B 235 33.319 10.210 39.661 1.00 11.22 H new ATOM 0 HB ILE B 235 31.061 11.897 39.939 1.00 12.12 H new ATOM 0 HG12 ILE B 235 30.635 9.848 41.005 1.00 14.96 H new ATOM 0 HG13 ILE B 235 29.655 10.126 39.824 1.00 14.96 H new ATOM 0 HG21 ILE B 235 30.601 11.259 37.719 1.00 11.07 H new ATOM 0 HG22 ILE B 235 32.026 11.946 37.802 1.00 11.07 H new ATOM 0 HG23 ILE B 235 31.911 10.369 37.708 1.00 11.07 H new ATOM 0 HD11 ILE B 235 30.319 7.920 39.783 1.00 19.41 H new ATOM 0 HD12 ILE B 235 30.839 8.646 38.476 1.00 19.41 H new ATOM 0 HD13 ILE B 235 31.835 8.364 39.674 1.00 19.41 H new ATOM 1645 N LEU B 236 33.045 13.288 40.691 1.00 11.15 N ATOM 1646 CA LEU B 236 33.544 14.658 40.609 1.00 13.26 C ATOM 1647 C LEU B 236 35.032 14.769 40.902 1.00 13.09 C ATOM 1648 O LEU B 236 35.691 15.700 40.442 1.00 13.64 O ATOM 1649 CB LEU B 236 32.748 15.582 41.545 1.00 9.60 C ATOM 1650 CG LEU B 236 31.320 15.898 41.081 1.00 10.62 C ATOM 1651 CD1 LEU B 236 30.606 16.793 42.089 1.00 6.15 C ATOM 1652 CD2 LEU B 236 31.380 16.572 39.718 1.00 9.40 C ATOM 0 H LEU B 236 32.411 13.176 41.262 1.00 11.15 H new ATOM 0 HA LEU B 236 33.416 14.941 39.690 1.00 13.26 H new ATOM 0 HB2 LEU B 236 32.705 15.172 42.423 1.00 9.60 H new ATOM 0 HB3 LEU B 236 33.234 16.416 41.645 1.00 9.60 H new ATOM 0 HG LEU B 236 30.816 15.072 41.013 1.00 10.62 H new ATOM 0 HD11 LEU B 236 29.707 16.980 41.776 1.00 6.15 H new ATOM 0 HD12 LEU B 236 30.562 16.343 42.947 1.00 6.15 H new ATOM 0 HD13 LEU B 236 31.094 17.626 42.185 1.00 6.15 H new ATOM 0 HD21 LEU B 236 30.480 16.775 39.417 1.00 9.40 H new ATOM 0 HD22 LEU B 236 31.891 17.394 39.785 1.00 9.40 H new ATOM 0 HD23 LEU B 236 31.807 15.977 39.081 1.00 9.40 H new ATOM 1653 N THR B 237 35.567 13.816 41.658 1.00 12.10 N ATOM 1654 CA THR B 237 36.986 13.849 41.966 1.00 11.05 C ATOM 1655 C THR B 237 37.795 13.436 40.740 1.00 11.19 C ATOM 1656 O THR B 237 38.916 13.909 40.542 1.00 9.38 O ATOM 1657 CB THR B 237 37.320 12.936 43.153 1.00 10.87 C ATOM 1658 OG1 THR B 237 36.585 13.377 44.302 1.00 7.66 O ATOM 1659 CG2 THR B 237 38.822 12.989 43.460 1.00 8.57 C ATOM 0 H THR B 237 35.133 13.155 41.996 1.00 12.10 H new ATOM 0 HA THR B 237 37.220 14.757 42.213 1.00 11.05 H new ATOM 0 HB THR B 237 37.078 12.023 42.931 1.00 10.87 H new ATOM 0 HG1 THR B 237 35.765 13.245 44.178 1.00 7.66 H new ATOM 0 HG21 THR B 237 39.020 12.408 44.211 1.00 8.57 H new ATOM 0 HG22 THR B 237 39.322 12.693 42.683 1.00 8.57 H new ATOM 0 HG23 THR B 237 39.076 13.899 43.680 1.00 8.57 H new ATOM 1660 N ARG B 238 37.227 12.554 39.919 1.00 12.22 N ATOM 1661 CA ARG B 238 37.893 12.123 38.690 1.00 13.20 C ATOM 1662 C ARG B 238 37.885 13.330 37.743 1.00 13.23 C ATOM 1663 O ARG B 238 38.858 13.582 37.025 1.00 13.66 O ATOM 1664 CB ARG B 238 37.140 10.964 38.023 1.00 14.23 C ATOM 1665 CG ARG B 238 36.975 9.702 38.860 1.00 15.05 C ATOM 1666 CD ARG B 238 38.298 9.111 39.248 1.00 16.35 C ATOM 1667 NE ARG B 238 38.140 7.814 39.898 1.00 23.20 N ATOM 1668 CZ ARG B 238 38.200 6.643 39.270 1.00 24.81 C ATOM 1669 NH1 ARG B 238 38.417 6.592 37.960 1.00 25.98 N ATOM 1670 NH2 ARG B 238 38.055 5.518 39.957 1.00 24.71 N ATOM 0 H ARG B 238 36.458 12.194 40.055 1.00 12.22 H new ATOM 0 HA ARG B 238 38.791 11.815 38.890 1.00 13.20 H new ATOM 0 HB2 ARG B 238 36.259 11.279 37.768 1.00 14.23 H new ATOM 0 HB3 ARG B 238 37.605 10.729 37.205 1.00 14.23 H new ATOM 0 HG2 ARG B 238 36.467 9.909 39.660 1.00 15.05 H new ATOM 0 HG3 ARG B 238 36.463 9.047 38.360 1.00 15.05 H new ATOM 0 HD2 ARG B 238 38.853 9.012 38.458 1.00 16.35 H new ATOM 0 HD3 ARG B 238 38.761 9.718 39.846 1.00 16.35 H new ATOM 0 HE ARG B 238 37.998 7.806 40.746 1.00 23.20 H new ATOM 0 HH11 ARG B 238 38.520 7.319 37.513 1.00 25.98 H new ATOM 0 HH12 ARG B 238 38.455 5.832 37.560 1.00 25.98 H new ATOM 0 HH21 ARG B 238 37.923 5.547 40.806 1.00 24.71 H new ATOM 0 HH22 ARG B 238 38.093 4.760 39.553 1.00 24.71 H new ATOM 1671 N VAL B 239 36.776 14.070 37.745 1.00 11.25 N ATOM 1672 CA VAL B 239 36.661 15.252 36.901 1.00 11.04 C ATOM 1673 C VAL B 239 37.760 16.232 37.294 1.00 10.16 C ATOM 1674 O VAL B 239 38.410 16.823 36.437 1.00 11.07 O ATOM 1675 CB VAL B 239 35.285 15.947 37.053 1.00 12.32 C ATOM 1676 CG1 VAL B 239 35.214 17.151 36.119 1.00 6.95 C ATOM 1677 CG2 VAL B 239 34.154 14.963 36.742 1.00 9.05 C ATOM 0 H VAL B 239 36.083 13.903 38.227 1.00 11.25 H new ATOM 0 HA VAL B 239 36.748 14.975 35.976 1.00 11.04 H new ATOM 0 HB VAL B 239 35.182 16.250 37.969 1.00 12.32 H new ATOM 0 HG11 VAL B 239 34.352 17.585 36.215 1.00 6.95 H new ATOM 0 HG12 VAL B 239 35.918 17.778 36.345 1.00 6.95 H new ATOM 0 HG13 VAL B 239 35.326 16.856 35.202 1.00 6.95 H new ATOM 0 HG21 VAL B 239 33.299 15.411 36.841 1.00 9.05 H new ATOM 0 HG22 VAL B 239 34.246 14.641 35.832 1.00 9.05 H new ATOM 0 HG23 VAL B 239 34.199 14.213 37.356 1.00 9.05 H new ATOM 1678 N ASN B 240 37.974 16.405 38.593 1.00 11.00 N ATOM 1679 CA ASN B 240 39.034 17.302 39.046 1.00 11.85 C ATOM 1680 C ASN B 240 40.391 16.891 38.469 1.00 12.44 C ATOM 1681 O ASN B 240 41.112 17.729 37.923 1.00 14.17 O ATOM 1682 CB ASN B 240 39.118 17.310 40.568 1.00 10.07 C ATOM 1683 CG ASN B 240 38.047 18.165 41.201 1.00 11.33 C ATOM 1684 OD1 ASN B 240 37.189 18.720 40.508 1.00 11.32 O ATOM 1685 ND2 ASN B 240 38.088 18.279 42.527 1.00 6.20 N ATOM 0 H ASN B 240 37.527 16.021 39.219 1.00 11.00 H new ATOM 0 HA ASN B 240 38.815 18.193 38.730 1.00 11.85 H new ATOM 0 HB2 ASN B 240 39.040 16.401 40.898 1.00 10.07 H new ATOM 0 HB3 ASN B 240 39.990 17.636 40.839 1.00 10.07 H new ATOM 0 HD21 ASN B 240 37.500 18.755 42.936 1.00 6.20 H new ATOM 0 HD22 ASN B 240 38.702 17.876 42.974 1.00 6.20 H new ATOM 1686 N ARG B 241 40.734 15.606 38.584 1.00 12.41 N ATOM 1687 CA ARG B 241 42.017 15.111 38.079 1.00 12.93 C ATOM 1688 C ARG B 241 42.120 15.268 36.567 1.00 13.48 C ATOM 1689 O ARG B 241 43.142 15.727 36.052 1.00 14.87 O ATOM 1690 CB ARG B 241 42.232 13.637 38.468 1.00 11.89 C ATOM 1691 CG ARG B 241 43.653 13.148 38.185 1.00 13.93 C ATOM 1692 CD ARG B 241 44.047 11.882 38.957 1.00 13.79 C ATOM 1693 NE ARG B 241 43.345 10.683 38.502 1.00 16.95 N ATOM 1694 CZ ARG B 241 42.333 10.100 39.147 1.00 19.45 C ATOM 1695 NH1 ARG B 241 41.883 10.594 40.299 1.00 17.94 N ATOM 1696 NH2 ARG B 241 41.765 9.014 38.636 1.00 16.39 N ATOM 0 H ARG B 241 40.239 15.006 38.950 1.00 12.41 H new ATOM 0 HA ARG B 241 42.712 15.648 38.490 1.00 12.93 H new ATOM 0 HB2 ARG B 241 42.038 13.525 39.412 1.00 11.89 H new ATOM 0 HB3 ARG B 241 41.601 13.084 37.981 1.00 11.89 H new ATOM 0 HG2 ARG B 241 43.742 12.976 37.235 1.00 13.93 H new ATOM 0 HG3 ARG B 241 44.278 13.857 38.405 1.00 13.93 H new ATOM 0 HD2 ARG B 241 45.003 11.742 38.869 1.00 13.79 H new ATOM 0 HD3 ARG B 241 43.865 12.017 39.900 1.00 13.79 H new ATOM 0 HE ARG B 241 43.604 10.327 37.763 1.00 16.95 H new ATOM 0 HH11 ARG B 241 42.245 11.297 40.636 1.00 17.94 H new ATOM 0 HH12 ARG B 241 41.230 10.210 40.706 1.00 17.94 H new ATOM 0 HH21 ARG B 241 42.050 8.689 37.892 1.00 16.39 H new ATOM 0 HH22 ARG B 241 41.112 8.635 39.049 1.00 16.39 H new ATOM 1697 N LYS B 242 41.053 14.904 35.864 1.00 12.50 N ATOM 1698 CA LYS B 242 41.019 15.007 34.413 1.00 12.47 C ATOM 1699 C LYS B 242 41.276 16.444 33.938 1.00 12.88 C ATOM 1700 O LYS B 242 42.148 16.688 33.098 1.00 12.46 O ATOM 1701 CB LYS B 242 39.666 14.511 33.896 1.00 13.63 C ATOM 1702 CG LYS B 242 39.575 14.394 32.380 1.00 16.00 C ATOM 1703 CD LYS B 242 38.257 13.762 31.967 1.00 17.71 C ATOM 1704 CE LYS B 242 38.077 13.773 30.458 1.00 20.05 C ATOM 1705 NZ LYS B 242 39.197 13.070 29.768 1.00 22.57 N ATOM 0 H LYS B 242 40.332 14.592 36.214 1.00 12.50 H new ATOM 0 HA LYS B 242 41.729 14.452 34.054 1.00 12.47 H new ATOM 0 HB2 LYS B 242 39.481 13.643 34.288 1.00 13.63 H new ATOM 0 HB3 LYS B 242 38.973 15.115 34.205 1.00 13.63 H new ATOM 0 HG2 LYS B 242 39.657 15.273 31.978 1.00 16.00 H new ATOM 0 HG3 LYS B 242 40.313 13.860 32.048 1.00 16.00 H new ATOM 0 HD2 LYS B 242 38.220 12.848 32.291 1.00 17.71 H new ATOM 0 HD3 LYS B 242 37.524 14.240 32.384 1.00 17.71 H new ATOM 0 HE2 LYS B 242 37.236 13.347 30.228 1.00 20.05 H new ATOM 0 HE3 LYS B 242 38.026 14.689 30.144 1.00 20.05 H new ATOM 0 HZ1 LYS B 242 39.016 13.003 28.899 1.00 22.57 H new ATOM 0 HZ2 LYS B 242 39.950 13.531 29.879 1.00 22.57 H new ATOM 0 HZ3 LYS B 242 39.294 12.256 30.114 1.00 22.57 H new ATOM 1706 N VAL B 243 40.522 17.395 34.474 1.00 10.77 N ATOM 1707 CA VAL B 243 40.696 18.790 34.083 1.00 11.87 C ATOM 1708 C VAL B 243 42.073 19.337 34.456 1.00 12.58 C ATOM 1709 O VAL B 243 42.720 20.012 33.658 1.00 12.46 O ATOM 1710 CB VAL B 243 39.625 19.689 34.731 1.00 9.47 C ATOM 1711 CG1 VAL B 243 39.939 21.151 34.460 1.00 7.13 C ATOM 1712 CG2 VAL B 243 38.254 19.330 34.189 1.00 9.16 C ATOM 0 H VAL B 243 39.909 17.257 35.061 1.00 10.77 H new ATOM 0 HA VAL B 243 40.606 18.805 33.117 1.00 11.87 H new ATOM 0 HB VAL B 243 39.627 19.546 35.690 1.00 9.47 H new ATOM 0 HG11 VAL B 243 39.261 21.709 34.871 1.00 7.13 H new ATOM 0 HG12 VAL B 243 40.807 21.370 34.833 1.00 7.13 H new ATOM 0 HG13 VAL B 243 39.950 21.308 33.503 1.00 7.13 H new ATOM 0 HG21 VAL B 243 37.584 19.899 34.600 1.00 9.16 H new ATOM 0 HG22 VAL B 243 38.242 19.460 33.228 1.00 9.16 H new ATOM 0 HG23 VAL B 243 38.058 18.402 34.392 1.00 9.16 H new ATOM 1713 N ALA B 244 42.510 19.039 35.674 1.00 14.55 N ATOM 1714 CA ALA B 244 43.794 19.511 36.182 1.00 15.62 C ATOM 1715 C ALA B 244 45.024 18.954 35.465 1.00 15.71 C ATOM 1716 O ALA B 244 46.031 19.650 35.335 1.00 16.20 O ATOM 1717 CB ALA B 244 43.896 19.207 37.678 1.00 15.92 C ATOM 0 H ALA B 244 42.069 18.555 36.232 1.00 14.55 H new ATOM 0 HA ALA B 244 43.803 20.465 36.009 1.00 15.62 H new ATOM 0 HB1 ALA B 244 44.750 19.521 38.015 1.00 15.92 H new ATOM 0 HB2 ALA B 244 43.178 19.657 38.150 1.00 15.92 H new ATOM 0 HB3 ALA B 244 43.825 18.250 37.819 1.00 15.92 H new ATOM 1718 N THR B 245 44.952 17.708 35.005 1.00 14.64 N ATOM 1719 CA THR B 245 46.094 17.092 34.339 1.00 15.13 C ATOM 1720 C THR B 245 46.088 17.143 32.811 1.00 15.84 C ATOM 1721 O THR B 245 47.087 17.500 32.193 1.00 16.96 O ATOM 1722 CB THR B 245 46.246 15.614 34.767 1.00 14.95 C ATOM 1723 OG1 THR B 245 45.043 14.900 34.457 1.00 15.55 O ATOM 1724 CG2 THR B 245 46.518 15.513 36.261 1.00 14.92 C ATOM 0 H THR B 245 44.257 17.206 35.068 1.00 14.64 H new ATOM 0 HA THR B 245 46.843 17.636 34.628 1.00 15.13 H new ATOM 0 HB THR B 245 46.994 15.228 34.285 1.00 14.95 H new ATOM 0 HG1 THR B 245 44.444 15.107 35.008 1.00 15.55 H new ATOM 0 HG21 THR B 245 46.610 14.580 36.511 1.00 14.92 H new ATOM 0 HG22 THR B 245 47.337 15.987 36.474 1.00 14.92 H new ATOM 0 HG23 THR B 245 45.780 15.907 36.752 1.00 14.92 H new ATOM 1725 N GLU B 246 44.963 16.792 32.205 1.00 16.27 N ATOM 1726 CA GLU B 246 44.850 16.756 30.753 1.00 18.55 C ATOM 1727 C GLU B 246 44.581 18.069 30.021 1.00 20.53 C ATOM 1728 O GLU B 246 44.358 18.053 28.811 1.00 23.41 O ATOM 1729 CB GLU B 246 43.759 15.756 30.369 1.00 18.95 C ATOM 1730 CG GLU B 246 44.095 14.313 30.707 1.00 21.96 C ATOM 1731 CD GLU B 246 42.877 13.419 30.678 1.00 23.42 C ATOM 1732 OE1 GLU B 246 41.885 13.796 30.023 1.00 23.37 O ATOM 1733 OE2 GLU B 246 42.914 12.337 31.304 1.00 26.90 O ATOM 0 H GLU B 246 44.245 16.568 32.621 1.00 16.27 H new ATOM 0 HA GLU B 246 45.740 16.503 30.461 1.00 18.55 H new ATOM 0 HB2 GLU B 246 42.936 16.001 30.820 1.00 18.95 H new ATOM 0 HB3 GLU B 246 43.591 15.825 29.416 1.00 18.95 H new ATOM 0 HG2 GLU B 246 44.753 13.980 30.077 1.00 21.96 H new ATOM 0 HG3 GLU B 246 44.501 14.275 31.587 1.00 21.96 H new ATOM 1734 N PHE B 247 44.614 19.202 30.715 1.00 19.68 N ATOM 1735 CA PHE B 247 44.312 20.465 30.047 1.00 19.05 C ATOM 1736 C PHE B 247 45.233 21.634 30.370 1.00 18.87 C ATOM 1737 O PHE B 247 45.634 21.831 31.516 1.00 20.26 O ATOM 1738 CB PHE B 247 42.877 20.890 30.375 1.00 18.04 C ATOM 1739 CG PHE B 247 41.816 20.075 29.692 1.00 15.72 C ATOM 1740 CD1 PHE B 247 41.398 20.393 28.402 1.00 16.85 C ATOM 1741 CD2 PHE B 247 41.192 19.024 30.356 1.00 16.01 C ATOM 1742 CE1 PHE B 247 40.367 19.678 27.784 1.00 14.94 C ATOM 1743 CE2 PHE B 247 40.161 18.300 29.747 1.00 15.50 C ATOM 1744 CZ PHE B 247 39.747 18.630 28.460 1.00 14.73 C ATOM 0 H PHE B 247 44.804 19.263 31.552 1.00 19.68 H new ATOM 0 HA PHE B 247 44.445 20.273 29.106 1.00 19.05 H new ATOM 0 HB2 PHE B 247 42.746 20.833 31.334 1.00 18.04 H new ATOM 0 HB3 PHE B 247 42.763 21.821 30.128 1.00 18.04 H new ATOM 0 HD1 PHE B 247 41.810 21.090 27.945 1.00 16.85 H new ATOM 0 HD2 PHE B 247 41.464 18.799 31.217 1.00 16.01 H new ATOM 0 HE1 PHE B 247 40.096 19.902 26.923 1.00 14.94 H new ATOM 0 HE2 PHE B 247 39.753 17.599 30.202 1.00 15.50 H new ATOM 0 HZ PHE B 247 39.060 18.153 28.053 1.00 14.73 H new ATOM 1745 N GLU B 248 45.547 22.412 29.342 1.00 18.26 N ATOM 1746 CA GLU B 248 46.383 23.601 29.474 1.00 18.31 C ATOM 1747 C GLU B 248 45.970 24.562 28.365 1.00 16.85 C ATOM 1748 O GLU B 248 45.888 24.175 27.198 1.00 16.41 O ATOM 1749 CB GLU B 248 47.865 23.262 29.333 1.00 19.02 C ATOM 1750 CG GLU B 248 48.772 24.371 29.861 1.00 20.42 C ATOM 1751 CD GLU B 248 50.231 24.125 29.562 1.00 22.27 C ATOM 1752 OE1 GLU B 248 50.761 24.751 28.619 1.00 24.27 O ATOM 1753 OE2 GLU B 248 50.843 23.297 30.265 1.00 22.38 O ATOM 0 H GLU B 248 45.278 22.264 28.539 1.00 18.26 H new ATOM 0 HA GLU B 248 46.260 23.993 30.353 1.00 18.31 H new ATOM 0 HB2 GLU B 248 48.052 22.440 29.812 1.00 19.02 H new ATOM 0 HB3 GLU B 248 48.069 23.099 28.399 1.00 19.02 H new ATOM 0 HG2 GLU B 248 48.504 25.217 29.469 1.00 20.42 H new ATOM 0 HG3 GLU B 248 48.652 24.452 30.820 1.00 20.42 H new ATOM 1754 N SER B 249 45.715 25.814 28.721 1.00 15.32 N ATOM 1755 CA SER B 249 45.275 26.787 27.728 1.00 15.09 C ATOM 1756 C SER B 249 46.305 27.113 26.658 1.00 13.70 C ATOM 1757 O SER B 249 47.509 26.965 26.855 1.00 14.42 O ATOM 1758 CB SER B 249 44.845 28.089 28.407 1.00 13.78 C ATOM 1759 OG SER B 249 45.972 28.804 28.880 1.00 13.55 O ATOM 0 H SER B 249 45.789 26.119 29.522 1.00 15.32 H new ATOM 0 HA SER B 249 44.529 26.361 27.278 1.00 15.09 H new ATOM 0 HB2 SER B 249 44.348 28.637 27.780 1.00 13.78 H new ATOM 0 HB3 SER B 249 44.248 27.892 29.146 1.00 13.78 H new ATOM 0 HG SER B 249 45.939 29.596 28.601 1.00 13.55 H new ATOM 1760 N PHE B 250 45.798 27.545 25.511 1.00 13.60 N ATOM 1761 CA PHE B 250 46.619 27.961 24.389 1.00 13.49 C ATOM 1762 C PHE B 250 46.088 29.333 24.001 1.00 14.12 C ATOM 1763 O PHE B 250 44.876 29.537 23.938 1.00 13.72 O ATOM 1764 CB PHE B 250 46.463 27.022 23.196 1.00 14.67 C ATOM 1765 CG PHE B 250 47.244 27.462 21.993 1.00 16.81 C ATOM 1766 CD1 PHE B 250 48.605 27.190 21.895 1.00 17.39 C ATOM 1767 CD2 PHE B 250 46.637 28.216 20.991 1.00 18.02 C ATOM 1768 CE1 PHE B 250 49.355 27.668 20.813 1.00 18.54 C ATOM 1769 CE2 PHE B 250 47.375 28.697 19.909 1.00 19.16 C ATOM 1770 CZ PHE B 250 48.738 28.423 19.821 1.00 19.13 C ATOM 0 H PHE B 250 44.953 27.605 25.362 1.00 13.60 H new ATOM 0 HA PHE B 250 47.558 27.961 24.632 1.00 13.49 H new ATOM 0 HB2 PHE B 250 46.750 26.132 23.453 1.00 14.67 H new ATOM 0 HB3 PHE B 250 45.524 26.961 22.960 1.00 14.67 H new ATOM 0 HD1 PHE B 250 49.022 26.685 22.556 1.00 17.39 H new ATOM 0 HD2 PHE B 250 45.727 28.401 21.044 1.00 18.02 H new ATOM 0 HE1 PHE B 250 50.264 27.481 20.758 1.00 18.54 H new ATOM 0 HE2 PHE B 250 46.958 29.200 19.247 1.00 19.16 H new ATOM 0 HZ PHE B 250 49.233 28.744 19.102 1.00 19.13 H new ATOM 1771 N SER B 251 46.982 30.276 23.738 1.00 14.65 N ATOM 1772 CA SER B 251 46.548 31.616 23.369 1.00 15.45 C ATOM 1773 C SER B 251 47.669 32.412 22.742 1.00 14.91 C ATOM 1774 O SER B 251 48.831 32.260 23.107 1.00 16.49 O ATOM 1775 CB SER B 251 46.032 32.368 24.597 1.00 15.80 C ATOM 1776 OG SER B 251 45.644 33.685 24.246 1.00 19.49 O ATOM 0 H SER B 251 47.834 30.164 23.767 1.00 14.65 H new ATOM 0 HA SER B 251 45.835 31.516 22.719 1.00 15.45 H new ATOM 0 HB2 SER B 251 45.277 31.894 24.980 1.00 15.80 H new ATOM 0 HB3 SER B 251 46.722 32.399 25.278 1.00 15.80 H new ATOM 0 HG SER B 251 45.238 34.039 24.890 1.00 19.49 H new ATOM 1777 N PHE B 252 47.312 33.266 21.794 1.00 15.39 N ATOM 1778 CA PHE B 252 48.296 34.094 21.125 1.00 16.42 C ATOM 1779 C PHE B 252 48.762 35.190 22.072 1.00 16.28 C ATOM 1780 O PHE B 252 49.828 35.781 21.884 1.00 16.63 O ATOM 1781 CB PHE B 252 47.695 34.660 19.837 1.00 16.34 C ATOM 1782 CG PHE B 252 47.519 33.625 18.757 1.00 17.86 C ATOM 1783 CD1 PHE B 252 46.508 33.745 17.808 1.00 20.60 C ATOM 1784 CD2 PHE B 252 48.370 32.520 18.692 1.00 17.24 C ATOM 1785 CE1 PHE B 252 46.344 32.778 16.809 1.00 20.00 C ATOM 1786 CE2 PHE B 252 48.217 31.550 17.700 1.00 18.44 C ATOM 1787 CZ PHE B 252 47.203 31.678 16.757 1.00 19.79 C ATOM 0 H PHE B 252 46.503 33.380 21.524 1.00 15.39 H new ATOM 0 HA PHE B 252 49.073 33.567 20.879 1.00 16.42 H new ATOM 0 HB2 PHE B 252 46.834 35.059 20.037 1.00 16.34 H new ATOM 0 HB3 PHE B 252 48.267 35.370 19.506 1.00 16.34 H new ATOM 0 HD1 PHE B 252 45.934 34.476 17.838 1.00 20.60 H new ATOM 0 HD2 PHE B 252 49.050 32.429 19.320 1.00 17.24 H new ATOM 0 HE1 PHE B 252 45.664 32.868 16.181 1.00 20.00 H new ATOM 0 HE2 PHE B 252 48.792 30.820 17.670 1.00 18.44 H new ATOM 0 HZ PHE B 252 47.097 31.034 16.095 1.00 19.79 H new ATOM 1788 N ASP B 253 47.963 35.432 23.107 1.00 16.55 N ATOM 1789 CA ASP B 253 48.284 36.427 24.123 1.00 17.64 C ATOM 1790 C ASP B 253 49.001 35.696 25.256 1.00 16.44 C ATOM 1791 O ASP B 253 48.395 34.905 25.970 1.00 17.58 O ATOM 1792 CB ASP B 253 47.004 37.067 24.656 1.00 20.10 C ATOM 1793 CG ASP B 253 47.275 38.177 25.656 1.00 23.19 C ATOM 1794 OD1 ASP B 253 48.409 38.267 26.175 1.00 24.04 O ATOM 1795 OD2 ASP B 253 46.340 38.957 25.933 1.00 25.95 O ATOM 0 H ASP B 253 47.218 35.023 23.239 1.00 16.55 H new ATOM 0 HA ASP B 253 48.841 37.129 23.750 1.00 17.64 H new ATOM 0 HB2 ASP B 253 46.492 37.424 23.913 1.00 20.10 H new ATOM 0 HB3 ASP B 253 46.457 36.385 25.076 1.00 20.10 H new ATOM 1796 N ALA B 254 50.292 35.959 25.414 1.00 15.34 N ATOM 1797 CA ALA B 254 51.087 35.305 26.447 1.00 15.60 C ATOM 1798 C ALA B 254 50.392 35.270 27.803 1.00 16.58 C ATOM 1799 O ALA B 254 50.503 34.291 28.541 1.00 15.96 O ATOM 1800 CB ALA B 254 52.437 35.994 26.569 1.00 14.17 C ATOM 0 H ALA B 254 50.731 36.518 24.929 1.00 15.34 H new ATOM 0 HA ALA B 254 51.206 34.382 26.172 1.00 15.60 H new ATOM 0 HB1 ALA B 254 52.963 35.557 27.257 1.00 14.17 H new ATOM 0 HB2 ALA B 254 52.906 35.941 25.721 1.00 14.17 H new ATOM 0 HB3 ALA B 254 52.305 36.925 26.807 1.00 14.17 H new ATOM 1801 N THR B 255 49.670 36.340 28.120 1.00 18.62 N ATOM 1802 CA THR B 255 48.959 36.448 29.391 1.00 18.71 C ATOM 1803 C THR B 255 48.017 35.279 29.658 1.00 18.67 C ATOM 1804 O THR B 255 47.944 34.775 30.782 1.00 19.69 O ATOM 1805 CB THR B 255 48.141 37.758 29.455 1.00 19.03 C ATOM 1806 OG1 THR B 255 49.030 38.873 29.335 1.00 19.52 O ATOM 1807 CG2 THR B 255 47.370 37.860 30.776 1.00 17.79 C ATOM 0 H THR B 255 49.578 37.023 27.606 1.00 18.62 H new ATOM 0 HA THR B 255 49.648 36.441 30.074 1.00 18.71 H new ATOM 0 HB THR B 255 47.501 37.760 28.726 1.00 19.03 H new ATOM 0 HG1 THR B 255 48.590 39.588 29.368 1.00 19.52 H new ATOM 0 HG21 THR B 255 46.865 38.688 30.793 1.00 17.79 H new ATOM 0 HG22 THR B 255 46.761 37.109 30.854 1.00 17.79 H new ATOM 0 HG23 THR B 255 47.995 37.847 31.518 1.00 17.79 H new ATOM 1808 N PHE B 256 47.301 34.845 28.628 1.00 16.63 N ATOM 1809 CA PHE B 256 46.350 33.753 28.786 1.00 17.57 C ATOM 1810 C PHE B 256 46.860 32.421 28.267 1.00 16.78 C ATOM 1811 O PHE B 256 46.108 31.451 28.159 1.00 16.89 O ATOM 1812 CB PHE B 256 45.037 34.112 28.092 1.00 15.79 C ATOM 1813 CG PHE B 256 44.358 35.305 28.685 1.00 16.78 C ATOM 1814 CD1 PHE B 256 44.827 36.589 28.427 1.00 17.54 C ATOM 1815 CD2 PHE B 256 43.280 35.147 29.547 1.00 17.92 C ATOM 1816 CE1 PHE B 256 44.233 37.697 29.017 1.00 15.93 C ATOM 1817 CE2 PHE B 256 42.678 36.250 30.143 1.00 17.58 C ATOM 1818 CZ PHE B 256 43.158 37.527 29.878 1.00 17.33 C ATOM 0 H PHE B 256 47.350 35.168 27.832 1.00 16.63 H new ATOM 0 HA PHE B 256 46.213 33.640 29.740 1.00 17.57 H new ATOM 0 HB2 PHE B 256 45.211 34.281 27.153 1.00 15.79 H new ATOM 0 HB3 PHE B 256 44.437 33.351 28.137 1.00 15.79 H new ATOM 0 HD1 PHE B 256 45.548 36.707 27.852 1.00 17.54 H new ATOM 0 HD2 PHE B 256 42.957 34.294 29.728 1.00 17.92 H new ATOM 0 HE1 PHE B 256 44.555 38.551 28.836 1.00 15.93 H new ATOM 0 HE2 PHE B 256 41.956 36.133 30.717 1.00 17.58 H new ATOM 0 HZ PHE B 256 42.759 38.266 30.277 1.00 17.33 H new ATOM 1819 N HIS B 257 48.146 32.366 27.960 1.00 15.44 N ATOM 1820 CA HIS B 257 48.713 31.143 27.433 1.00 13.95 C ATOM 1821 C HIS B 257 49.298 30.235 28.513 1.00 13.44 C ATOM 1822 O HIS B 257 49.813 30.701 29.528 1.00 12.91 O ATOM 1823 CB HIS B 257 49.784 31.484 26.399 1.00 11.84 C ATOM 1824 CG HIS B 257 50.441 30.283 25.805 1.00 12.58 C ATOM 1825 ND1 HIS B 257 49.772 29.403 24.984 1.00 12.86 N ATOM 1826 CD2 HIS B 257 51.693 29.790 25.949 1.00 10.96 C ATOM 1827 CE1 HIS B 257 50.584 28.416 24.647 1.00 12.65 C ATOM 1828 NE2 HIS B 257 51.756 28.627 25.221 1.00 12.90 N ATOM 0 H HIS B 257 48.700 33.018 28.048 1.00 15.44 H new ATOM 0 HA HIS B 257 47.988 30.647 27.021 1.00 13.95 H new ATOM 0 HB2 HIS B 257 49.382 32.009 25.689 1.00 11.84 H new ATOM 0 HB3 HIS B 257 50.460 32.041 26.816 1.00 11.84 H new ATOM 0 HD2 HIS B 257 52.381 30.168 26.447 1.00 10.96 H new ATOM 0 HE1 HIS B 257 50.368 27.696 24.100 1.00 12.65 H new ATOM 0 HE2 HIS B 257 52.446 28.119 25.150 1.00 12.90 H new ATOM 1829 N ALA B 258 49.199 28.931 28.289 1.00 13.48 N ATOM 1830 CA ALA B 258 49.744 27.948 29.214 1.00 15.65 C ATOM 1831 C ALA B 258 49.151 28.003 30.620 1.00 16.05 C ATOM 1832 O ALA B 258 49.859 27.769 31.597 1.00 16.42 O ATOM 1833 CB ALA B 258 51.252 28.110 29.288 1.00 13.28 C ATOM 0 H ALA B 258 48.815 28.592 27.598 1.00 13.48 H new ATOM 0 HA ALA B 258 49.499 27.079 28.859 1.00 15.65 H new ATOM 0 HB1 ALA B 258 51.618 27.456 29.904 1.00 13.28 H new ATOM 0 HB2 ALA B 258 51.636 27.975 28.408 1.00 13.28 H new ATOM 0 HB3 ALA B 258 51.467 29.003 29.600 1.00 13.28 H new ATOM 1834 N LYS B 259 47.862 28.307 30.727 1.00 16.40 N ATOM 1835 CA LYS B 259 47.220 28.369 32.033 1.00 16.30 C ATOM 1836 C LYS B 259 46.538 27.053 32.380 1.00 16.19 C ATOM 1837 O LYS B 259 46.159 26.276 31.502 1.00 15.55 O ATOM 1838 CB LYS B 259 46.207 29.509 32.079 1.00 17.23 C ATOM 1839 CG LYS B 259 46.813 30.858 31.749 1.00 19.77 C ATOM 1840 CD LYS B 259 48.028 31.160 32.624 1.00 21.98 C ATOM 1841 CE LYS B 259 48.771 32.382 32.097 1.00 25.03 C ATOM 1842 NZ LYS B 259 49.943 32.743 32.925 1.00 27.28 N ATOM 0 H LYS B 259 47.346 28.479 30.061 1.00 16.40 H new ATOM 0 HA LYS B 259 47.913 28.534 32.692 1.00 16.30 H new ATOM 0 HB2 LYS B 259 45.489 29.322 31.454 1.00 17.23 H new ATOM 0 HB3 LYS B 259 45.811 29.546 32.964 1.00 17.23 H new ATOM 0 HG2 LYS B 259 47.074 30.876 30.815 1.00 19.77 H new ATOM 0 HG3 LYS B 259 46.146 31.551 31.871 1.00 19.77 H new ATOM 0 HD2 LYS B 259 47.745 31.316 33.539 1.00 21.98 H new ATOM 0 HD3 LYS B 259 48.623 30.394 32.638 1.00 21.98 H new ATOM 0 HE2 LYS B 259 49.063 32.210 31.188 1.00 25.03 H new ATOM 0 HE3 LYS B 259 48.161 33.135 32.061 1.00 25.03 H new ATOM 0 HZ1 LYS B 259 49.920 33.613 33.110 1.00 27.28 H new ATOM 0 HZ2 LYS B 259 49.925 32.279 33.684 1.00 27.28 H new ATOM 0 HZ3 LYS B 259 50.690 32.555 32.480 1.00 27.28 H new ATOM 1843 N LYS B 260 46.386 26.811 33.675 1.00 15.72 N ATOM 1844 CA LYS B 260 45.773 25.587 34.155 1.00 13.59 C ATOM 1845 C LYS B 260 44.463 25.878 34.875 1.00 13.94 C ATOM 1846 O LYS B 260 44.140 27.036 35.153 1.00 14.48 O ATOM 1847 CB LYS B 260 46.749 24.881 35.093 1.00 11.57 C ATOM 1848 CG LYS B 260 48.061 24.512 34.431 1.00 9.77 C ATOM 1849 CD LYS B 260 47.890 23.334 33.489 1.00 10.58 C ATOM 1850 CE LYS B 260 47.487 22.088 34.263 1.00 11.87 C ATOM 1851 NZ LYS B 260 47.340 20.909 33.368 1.00 15.22 N ATOM 0 H LYS B 260 46.635 27.351 34.296 1.00 15.72 H new ATOM 0 HA LYS B 260 45.571 25.014 33.398 1.00 13.59 H new ATOM 0 HB2 LYS B 260 46.929 25.455 35.854 1.00 11.57 H new ATOM 0 HB3 LYS B 260 46.331 24.076 35.438 1.00 11.57 H new ATOM 0 HG2 LYS B 260 48.404 25.275 33.940 1.00 9.77 H new ATOM 0 HG3 LYS B 260 48.718 24.293 35.110 1.00 9.77 H new ATOM 0 HD2 LYS B 260 47.215 23.540 32.823 1.00 10.58 H new ATOM 0 HD3 LYS B 260 48.719 23.171 33.012 1.00 10.58 H new ATOM 0 HE2 LYS B 260 48.154 21.898 34.942 1.00 11.87 H new ATOM 0 HE3 LYS B 260 46.650 22.250 34.725 1.00 11.87 H new ATOM 0 HZ1 LYS B 260 46.902 20.264 33.796 1.00 15.22 H new ATOM 0 HZ2 LYS B 260 46.885 21.143 32.640 1.00 15.22 H new ATOM 0 HZ3 LYS B 260 48.145 20.614 33.131 1.00 15.22 H new ATOM 1852 N GLN B 261 43.712 24.824 35.180 1.00 12.81 N ATOM 1853 CA GLN B 261 42.437 24.976 35.865 1.00 14.17 C ATOM 1854 C GLN B 261 42.143 23.800 36.788 1.00 15.04 C ATOM 1855 O GLN B 261 42.477 22.653 36.475 1.00 16.98 O ATOM 1856 CB GLN B 261 41.308 25.112 34.836 1.00 13.21 C ATOM 1857 CG GLN B 261 39.914 25.242 35.431 1.00 12.98 C ATOM 1858 CD GLN B 261 38.847 25.435 34.364 1.00 14.62 C ATOM 1859 OE1 GLN B 261 38.912 26.377 33.581 1.00 16.93 O ATOM 1860 NE2 GLN B 261 37.863 24.543 34.329 1.00 13.49 N ATOM 0 H GLN B 261 43.925 24.011 34.998 1.00 12.81 H new ATOM 0 HA GLN B 261 42.491 25.777 36.410 1.00 14.17 H new ATOM 0 HB2 GLN B 261 41.484 25.889 34.283 1.00 13.21 H new ATOM 0 HB3 GLN B 261 41.325 24.338 34.251 1.00 13.21 H new ATOM 0 HG2 GLN B 261 39.710 24.448 35.949 1.00 12.98 H new ATOM 0 HG3 GLN B 261 39.895 25.993 36.044 1.00 12.98 H new ATOM 0 HE21 GLN B 261 37.850 23.895 34.894 1.00 13.49 H new ATOM 0 HE22 GLN B 261 37.239 24.614 33.741 1.00 13.49 H new ATOM 1861 N ILE B 262 41.517 24.090 37.926 1.00 13.38 N ATOM 1862 CA ILE B 262 41.145 23.056 38.884 1.00 14.14 C ATOM 1863 C ILE B 262 39.667 23.255 39.254 1.00 12.96 C ATOM 1864 O ILE B 262 39.273 24.307 39.758 1.00 12.16 O ATOM 1865 CB ILE B 262 42.075 23.107 40.156 1.00 16.27 C ATOM 1866 CG1 ILE B 262 42.065 21.759 40.882 1.00 17.89 C ATOM 1867 CG2 ILE B 262 41.663 24.233 41.081 1.00 16.07 C ATOM 1868 CD1 ILE B 262 40.736 21.325 41.420 1.00 22.75 C ATOM 0 H ILE B 262 41.298 24.887 38.162 1.00 13.38 H new ATOM 0 HA ILE B 262 41.263 22.177 38.490 1.00 14.14 H new ATOM 0 HB ILE B 262 42.983 23.284 39.865 1.00 16.27 H new ATOM 0 HG12 ILE B 262 42.387 21.078 40.271 1.00 17.89 H new ATOM 0 HG13 ILE B 262 42.696 21.801 41.618 1.00 17.89 H new ATOM 0 HG21 ILE B 262 42.247 24.246 41.855 1.00 16.07 H new ATOM 0 HG22 ILE B 262 41.730 25.079 40.611 1.00 16.07 H new ATOM 0 HG23 ILE B 262 40.747 24.096 41.370 1.00 16.07 H new ATOM 0 HD11 ILE B 262 40.830 20.466 41.860 1.00 22.75 H new ATOM 0 HD12 ILE B 262 40.415 21.981 42.058 1.00 22.75 H new ATOM 0 HD13 ILE B 262 40.101 21.247 40.691 1.00 22.75 H new ATOM 1869 N PRO B 263 38.821 22.255 38.966 1.00 12.01 N ATOM 1870 CA PRO B 263 37.394 22.382 39.293 1.00 11.70 C ATOM 1871 C PRO B 263 37.212 22.551 40.797 1.00 12.30 C ATOM 1872 O PRO B 263 38.128 22.279 41.569 1.00 14.28 O ATOM 1873 CB PRO B 263 36.799 21.078 38.774 1.00 11.95 C ATOM 1874 CG PRO B 263 37.708 20.720 37.622 1.00 12.71 C ATOM 1875 CD PRO B 263 39.080 21.034 38.185 1.00 11.46 C ATOM 0 HA PRO B 263 36.964 23.157 38.898 1.00 11.70 H new ATOM 0 HB2 PRO B 263 36.796 20.389 39.456 1.00 11.95 H new ATOM 0 HB3 PRO B 263 35.881 21.193 38.484 1.00 11.95 H new ATOM 0 HG2 PRO B 263 37.624 19.787 37.371 1.00 12.71 H new ATOM 0 HG3 PRO B 263 37.513 21.245 36.830 1.00 12.71 H new ATOM 0 HD2 PRO B 263 39.418 20.314 38.740 1.00 11.46 H new ATOM 0 HD3 PRO B 263 39.734 21.183 37.484 1.00 11.46 H new ATOM 1876 N CYS B 264 36.037 22.997 41.220 1.00 11.61 N ATOM 1877 CA CYS B 264 35.804 23.215 42.636 1.00 11.83 C ATOM 1878 C CYS B 264 34.503 22.587 43.121 1.00 12.04 C ATOM 1879 O CYS B 264 33.412 23.101 42.851 1.00 10.37 O ATOM 1880 CB CYS B 264 35.797 24.716 42.924 1.00 13.32 C ATOM 1881 SG CYS B 264 35.681 25.126 44.670 1.00 16.33 S ATOM 0 H CYS B 264 35.369 23.177 40.709 1.00 11.61 H new ATOM 0 HA CYS B 264 36.524 22.782 43.120 1.00 11.83 H new ATOM 0 HB2 CYS B 264 36.607 25.109 42.562 1.00 13.32 H new ATOM 0 HB3 CYS B 264 35.051 25.122 42.456 1.00 13.32 H new ATOM 0 HG CYS B 264 34.578 25.532 44.914 1.00 16.33 H new ATOM 1882 N ILE B 265 34.636 21.473 43.838 1.00 10.66 N ATOM 1883 CA ILE B 265 33.494 20.752 44.382 1.00 10.61 C ATOM 1884 C ILE B 265 33.083 21.345 45.721 1.00 11.14 C ATOM 1885 O ILE B 265 33.858 21.325 46.676 1.00 11.35 O ATOM 1886 CB ILE B 265 33.825 19.274 44.627 1.00 11.14 C ATOM 1887 CG1 ILE B 265 34.329 18.627 43.337 1.00 11.76 C ATOM 1888 CG2 ILE B 265 32.587 18.552 45.150 1.00 11.35 C ATOM 1889 CD1 ILE B 265 34.794 17.194 43.517 1.00 9.78 C ATOM 0 H ILE B 265 35.396 21.115 44.022 1.00 10.66 H new ATOM 0 HA ILE B 265 32.780 20.829 43.730 1.00 10.61 H new ATOM 0 HB ILE B 265 34.528 19.207 45.292 1.00 11.14 H new ATOM 0 HG12 ILE B 265 33.620 18.648 42.675 1.00 11.76 H new ATOM 0 HG13 ILE B 265 35.062 19.155 42.984 1.00 11.76 H new ATOM 0 HG21 ILE B 265 32.798 17.618 45.304 1.00 11.35 H new ATOM 0 HG22 ILE B 265 32.301 18.960 45.982 1.00 11.35 H new ATOM 0 HG23 ILE B 265 31.873 18.618 44.496 1.00 11.35 H new ATOM 0 HD11 ILE B 265 35.100 16.843 42.666 1.00 9.78 H new ATOM 0 HD12 ILE B 265 35.522 17.168 44.157 1.00 9.78 H new ATOM 0 HD13 ILE B 265 34.058 16.653 43.843 1.00 9.78 H new ATOM 1890 N VAL B 266 31.862 21.865 45.791 1.00 10.85 N ATOM 1891 CA VAL B 266 31.358 22.449 47.027 1.00 11.90 C ATOM 1892 C VAL B 266 30.129 21.647 47.458 1.00 12.49 C ATOM 1893 O VAL B 266 29.051 21.776 46.877 1.00 13.09 O ATOM 1894 CB VAL B 266 31.002 23.936 46.822 1.00 11.21 C ATOM 1895 CG1 VAL B 266 30.475 24.533 48.122 1.00 9.01 C ATOM 1896 CG2 VAL B 266 32.239 24.693 46.348 1.00 8.43 C ATOM 0 H VAL B 266 31.309 21.889 45.133 1.00 10.85 H new ATOM 0 HA VAL B 266 32.038 22.411 47.718 1.00 11.90 H new ATOM 0 HB VAL B 266 30.308 24.012 46.149 1.00 11.21 H new ATOM 0 HG11 VAL B 266 30.254 25.467 47.983 1.00 9.01 H new ATOM 0 HG12 VAL B 266 29.681 24.051 48.401 1.00 9.01 H new ATOM 0 HG13 VAL B 266 31.155 24.461 48.810 1.00 9.01 H new ATOM 0 HG21 VAL B 266 32.016 25.628 46.219 1.00 8.43 H new ATOM 0 HG22 VAL B 266 32.940 24.617 47.014 1.00 8.43 H new ATOM 0 HG23 VAL B 266 32.548 24.316 45.509 1.00 8.43 H new ATOM 1897 N SER B 267 30.301 20.816 48.481 1.00 10.93 N ATOM 1898 CA SER B 267 29.219 19.969 48.944 1.00 11.63 C ATOM 1899 C SER B 267 28.594 20.311 50.281 1.00 13.74 C ATOM 1900 O SER B 267 29.283 20.554 51.279 1.00 11.93 O ATOM 1901 CB SER B 267 29.674 18.511 48.998 1.00 11.19 C ATOM 1902 OG SER B 267 28.624 17.680 49.472 1.00 9.82 O ATOM 0 H SER B 267 31.037 20.730 48.917 1.00 10.93 H new ATOM 0 HA SER B 267 28.525 20.128 48.286 1.00 11.63 H new ATOM 0 HB2 SER B 267 29.951 18.220 48.115 1.00 11.19 H new ATOM 0 HB3 SER B 267 30.446 18.429 49.579 1.00 11.19 H new ATOM 0 HG SER B 267 28.886 16.882 49.495 1.00 9.82 H new ATOM 1903 N MET B 268 27.268 20.299 50.287 1.00 13.37 N ATOM 1904 CA MET B 268 26.513 20.561 51.490 1.00 14.99 C ATOM 1905 C MET B 268 25.439 19.499 51.560 1.00 13.84 C ATOM 1906 O MET B 268 24.418 19.658 52.223 1.00 14.11 O ATOM 1907 CB MET B 268 25.947 21.983 51.451 1.00 16.60 C ATOM 1908 CG MET B 268 27.081 23.002 51.544 1.00 20.57 C ATOM 1909 SD MET B 268 26.676 24.731 51.364 1.00 28.08 S ATOM 1910 CE MET B 268 27.248 25.025 49.716 1.00 23.57 C ATOM 0 H MET B 268 26.786 20.139 49.593 1.00 13.37 H new ATOM 0 HA MET B 268 27.061 20.517 52.289 1.00 14.99 H new ATOM 0 HB2 MET B 268 25.448 22.118 50.630 1.00 16.60 H new ATOM 0 HB3 MET B 268 25.326 22.112 52.185 1.00 16.60 H new ATOM 0 HG2 MET B 268 27.513 22.887 52.405 1.00 20.57 H new ATOM 0 HG3 MET B 268 27.737 22.779 50.865 1.00 20.57 H new ATOM 0 HE1 MET B 268 26.798 25.803 49.351 1.00 23.57 H new ATOM 0 HE2 MET B 268 28.205 25.182 49.729 1.00 23.57 H new ATOM 0 HE3 MET B 268 27.055 24.252 49.163 1.00 23.57 H new ATOM 1911 N LEU B 269 25.704 18.396 50.862 1.00 14.85 N ATOM 1912 CA LEU B 269 24.796 17.258 50.826 1.00 13.05 C ATOM 1913 C LEU B 269 24.933 16.572 52.173 1.00 13.37 C ATOM 1914 O LEU B 269 25.957 16.713 52.840 1.00 14.59 O ATOM 1915 CB LEU B 269 25.187 16.296 49.698 1.00 12.17 C ATOM 1916 CG LEU B 269 25.252 16.884 48.281 1.00 10.67 C ATOM 1917 CD1 LEU B 269 25.591 15.787 47.286 1.00 5.27 C ATOM 1918 CD2 LEU B 269 23.923 17.531 47.926 1.00 8.22 C ATOM 0 H LEU B 269 26.418 18.289 50.395 1.00 14.85 H new ATOM 0 HA LEU B 269 23.883 17.539 50.660 1.00 13.05 H new ATOM 0 HB2 LEU B 269 26.055 15.919 49.909 1.00 12.17 H new ATOM 0 HB3 LEU B 269 24.553 15.562 49.692 1.00 12.17 H new ATOM 0 HG LEU B 269 25.944 17.562 48.247 1.00 10.67 H new ATOM 0 HD11 LEU B 269 25.631 16.162 46.392 1.00 5.27 H new ATOM 0 HD12 LEU B 269 26.451 15.399 47.512 1.00 5.27 H new ATOM 0 HD13 LEU B 269 24.908 15.099 47.317 1.00 5.27 H new ATOM 0 HD21 LEU B 269 23.972 17.900 47.030 1.00 8.22 H new ATOM 0 HD22 LEU B 269 23.219 16.865 47.963 1.00 8.22 H new ATOM 0 HD23 LEU B 269 23.730 18.241 48.558 1.00 8.22 H new ATOM 1919 N THR B 270 23.911 15.833 52.579 1.00 12.71 N ATOM 1920 CA THR B 270 23.955 15.164 53.871 1.00 12.07 C ATOM 1921 C THR B 270 24.031 13.653 53.731 1.00 10.97 C ATOM 1922 O THR B 270 24.052 12.928 54.726 1.00 10.00 O ATOM 1923 CB THR B 270 22.724 15.538 54.719 1.00 11.72 C ATOM 1924 OG1 THR B 270 21.533 15.230 53.987 1.00 14.50 O ATOM 1925 CG2 THR B 270 22.737 17.029 55.053 1.00 9.85 C ATOM 0 H THR B 270 23.190 15.706 52.128 1.00 12.71 H new ATOM 0 HA THR B 270 24.762 15.467 54.316 1.00 12.07 H new ATOM 0 HB THR B 270 22.748 15.030 55.545 1.00 11.72 H new ATOM 0 HG1 THR B 270 21.341 15.872 53.480 1.00 14.50 H new ATOM 0 HG21 THR B 270 21.957 17.248 55.586 1.00 9.85 H new ATOM 0 HG22 THR B 270 23.540 17.242 55.553 1.00 9.85 H new ATOM 0 HG23 THR B 270 22.722 17.545 54.232 1.00 9.85 H new ATOM 1926 N LYS B 271 24.080 13.183 52.491 1.00 10.74 N ATOM 1927 CA LYS B 271 24.157 11.751 52.221 1.00 11.57 C ATOM 1928 C LYS B 271 24.951 11.493 50.953 1.00 11.30 C ATOM 1929 O LYS B 271 25.276 12.420 50.211 1.00 11.82 O ATOM 1930 CB LYS B 271 22.754 11.155 52.054 1.00 11.37 C ATOM 1931 CG LYS B 271 21.870 11.225 53.285 1.00 14.14 C ATOM 1932 CD LYS B 271 20.495 10.637 52.984 1.00 15.23 C ATOM 1933 CE LYS B 271 19.576 10.714 54.190 1.00 15.28 C ATOM 1934 NZ LYS B 271 18.187 10.279 53.858 1.00 16.33 N ATOM 0 H LYS B 271 24.070 13.678 51.788 1.00 10.74 H new ATOM 0 HA LYS B 271 24.599 11.331 52.975 1.00 11.57 H new ATOM 0 HB2 LYS B 271 22.307 11.616 51.326 1.00 11.37 H new ATOM 0 HB3 LYS B 271 22.843 10.226 51.790 1.00 11.37 H new ATOM 0 HG2 LYS B 271 22.283 10.739 54.016 1.00 14.14 H new ATOM 0 HG3 LYS B 271 21.778 12.147 53.573 1.00 14.14 H new ATOM 0 HD2 LYS B 271 20.094 11.114 52.240 1.00 15.23 H new ATOM 0 HD3 LYS B 271 20.591 9.712 52.709 1.00 15.23 H new ATOM 0 HE2 LYS B 271 19.928 10.156 54.901 1.00 15.28 H new ATOM 0 HE3 LYS B 271 19.558 11.624 54.526 1.00 15.28 H new ATOM 0 HZ1 LYS B 271 17.812 9.909 54.575 1.00 16.33 H new ATOM 0 HZ2 LYS B 271 17.708 10.984 53.604 1.00 16.33 H new ATOM 0 HZ3 LYS B 271 18.212 9.684 53.197 1.00 16.33 H new ATOM 1935 N GLU B 272 25.266 10.227 50.712 1.00 12.48 N ATOM 1936 CA GLU B 272 25.999 9.844 49.513 1.00 13.90 C ATOM 1937 C GLU B 272 25.004 9.847 48.358 1.00 13.78 C ATOM 1938 O GLU B 272 23.812 9.602 48.558 1.00 11.05 O ATOM 1939 CB GLU B 272 26.611 8.453 49.689 1.00 15.52 C ATOM 1940 CG GLU B 272 27.901 8.456 50.491 1.00 16.89 C ATOM 1941 CD GLU B 272 28.285 7.074 50.975 1.00 19.29 C ATOM 1942 OE1 GLU B 272 27.982 6.088 50.262 1.00 21.03 O ATOM 1943 OE2 GLU B 272 28.898 6.976 52.062 1.00 18.61 O ATOM 0 H GLU B 272 25.064 9.572 51.232 1.00 12.48 H new ATOM 0 HA GLU B 272 26.725 10.463 49.339 1.00 13.90 H new ATOM 0 HB2 GLU B 272 25.966 7.877 50.129 1.00 15.52 H new ATOM 0 HB3 GLU B 272 26.783 8.070 48.815 1.00 15.52 H new ATOM 0 HG2 GLU B 272 28.617 8.815 49.944 1.00 16.89 H new ATOM 0 HG3 GLU B 272 27.803 9.047 51.254 1.00 16.89 H new ATOM 1944 N LEU B 273 25.493 10.125 47.155 1.00 13.57 N ATOM 1945 CA LEU B 273 24.623 10.179 45.990 1.00 14.52 C ATOM 1946 C LEU B 273 25.021 9.224 44.877 1.00 14.14 C ATOM 1947 O LEU B 273 26.067 9.386 44.250 1.00 14.07 O ATOM 1948 CB LEU B 273 24.574 11.614 45.447 1.00 15.93 C ATOM 1949 CG LEU B 273 23.704 11.918 44.219 1.00 16.38 C ATOM 1950 CD1 LEU B 273 22.316 11.343 44.396 1.00 18.35 C ATOM 1951 CD2 LEU B 273 23.623 13.426 44.022 1.00 17.21 C ATOM 0 H LEU B 273 26.322 10.285 46.993 1.00 13.57 H new ATOM 0 HA LEU B 273 23.746 9.894 46.292 1.00 14.52 H new ATOM 0 HB2 LEU B 273 24.274 12.189 46.168 1.00 15.93 H new ATOM 0 HB3 LEU B 273 25.483 11.877 45.234 1.00 15.93 H new ATOM 0 HG LEU B 273 24.105 11.509 43.437 1.00 16.38 H new ATOM 0 HD11 LEU B 273 21.780 11.544 43.613 1.00 18.35 H new ATOM 0 HD12 LEU B 273 22.376 10.381 44.509 1.00 18.35 H new ATOM 0 HD13 LEU B 273 21.901 11.735 45.180 1.00 18.35 H new ATOM 0 HD21 LEU B 273 23.074 13.622 43.247 1.00 17.21 H new ATOM 0 HD22 LEU B 273 23.229 13.835 44.809 1.00 17.21 H new ATOM 0 HD23 LEU B 273 24.514 13.783 43.885 1.00 17.21 H new ATOM 1952 N TYR B 274 24.180 8.218 44.651 1.00 14.84 N ATOM 1953 CA TYR B 274 24.398 7.238 43.589 1.00 14.96 C ATOM 1954 C TYR B 274 23.260 7.410 42.597 1.00 14.72 C ATOM 1955 O TYR B 274 22.087 7.399 42.980 1.00 13.09 O ATOM 1956 CB TYR B 274 24.382 5.823 44.150 1.00 13.86 C ATOM 1957 CG TYR B 274 25.462 5.577 45.163 1.00 13.13 C ATOM 1958 CD1 TYR B 274 26.719 5.107 44.778 1.00 13.38 C ATOM 1959 CD2 TYR B 274 25.234 5.829 46.511 1.00 12.84 C ATOM 1960 CE1 TYR B 274 27.720 4.894 45.721 1.00 12.89 C ATOM 1961 CE2 TYR B 274 26.221 5.624 47.456 1.00 12.49 C ATOM 1962 CZ TYR B 274 27.458 5.160 47.062 1.00 12.82 C ATOM 1963 OH TYR B 274 28.428 4.989 48.019 1.00 13.03 O ATOM 0 H TYR B 274 23.465 8.084 45.110 1.00 14.84 H new ATOM 0 HA TYR B 274 25.261 7.376 43.169 1.00 14.96 H new ATOM 0 HB2 TYR B 274 23.519 5.653 44.558 1.00 13.86 H new ATOM 0 HB3 TYR B 274 24.480 5.191 43.421 1.00 13.86 H new ATOM 0 HD1 TYR B 274 26.889 4.934 43.880 1.00 13.38 H new ATOM 0 HD2 TYR B 274 24.401 6.142 46.782 1.00 12.84 H new ATOM 0 HE1 TYR B 274 28.554 4.578 45.458 1.00 12.89 H new ATOM 0 HE2 TYR B 274 26.052 5.798 48.354 1.00 12.49 H new ATOM 0 HH TYR B 274 28.294 5.524 48.652 1.00 13.03 H new ATOM 1964 N PHE B 275 23.610 7.577 41.326 1.00 16.43 N ATOM 1965 CA PHE B 275 22.616 7.784 40.280 1.00 17.08 C ATOM 1966 C PHE B 275 21.850 6.515 39.951 1.00 18.84 C ATOM 1967 O PHE B 275 20.780 6.565 39.347 1.00 20.22 O ATOM 1968 CB PHE B 275 23.291 8.336 39.031 1.00 15.69 C ATOM 1969 CG PHE B 275 23.871 9.712 39.219 1.00 16.44 C ATOM 1970 CD1 PHE B 275 23.039 10.803 39.455 1.00 16.85 C ATOM 1971 CD2 PHE B 275 25.247 9.916 39.169 1.00 14.87 C ATOM 1972 CE1 PHE B 275 23.566 12.083 39.639 1.00 17.00 C ATOM 1973 CE2 PHE B 275 25.786 11.190 39.352 1.00 16.20 C ATOM 1974 CZ PHE B 275 24.943 12.276 39.587 1.00 17.13 C ATOM 0 H PHE B 275 24.424 7.574 41.047 1.00 16.43 H new ATOM 0 HA PHE B 275 21.969 8.426 40.613 1.00 17.08 H new ATOM 0 HB2 PHE B 275 23.998 7.730 38.759 1.00 15.69 H new ATOM 0 HB3 PHE B 275 22.645 8.361 38.308 1.00 15.69 H new ATOM 0 HD1 PHE B 275 22.118 10.677 39.491 1.00 16.85 H new ATOM 0 HD2 PHE B 275 25.813 9.195 39.012 1.00 14.87 H new ATOM 0 HE1 PHE B 275 22.999 12.803 39.796 1.00 17.00 H new ATOM 0 HE2 PHE B 275 26.707 11.315 39.317 1.00 16.20 H new ATOM 0 HZ PHE B 275 25.300 13.126 39.709 1.00 17.13 H new ATOM 1975 N TYR B 276 22.400 5.381 40.365 1.00 19.15 N ATOM 1976 CA TYR B 276 21.773 4.091 40.130 1.00 20.38 C ATOM 1977 C TYR B 276 21.237 3.572 41.458 1.00 20.98 C ATOM 1978 O TYR B 276 21.528 4.133 42.511 1.00 22.49 O ATOM 1979 CB TYR B 276 22.804 3.111 39.567 1.00 19.42 C ATOM 1980 CG TYR B 276 23.903 2.762 40.544 1.00 21.15 C ATOM 1981 CD1 TYR B 276 23.700 1.806 41.545 1.00 21.22 C ATOM 1982 CD2 TYR B 276 25.140 3.400 40.487 1.00 21.11 C ATOM 1983 CE1 TYR B 276 24.699 1.495 42.456 1.00 20.77 C ATOM 1984 CE2 TYR B 276 26.148 3.098 41.398 1.00 21.57 C ATOM 1985 CZ TYR B 276 25.921 2.144 42.379 1.00 23.08 C ATOM 1986 OH TYR B 276 26.915 1.840 43.285 1.00 24.96 O ATOM 0 H TYR B 276 23.147 5.339 40.790 1.00 19.15 H new ATOM 0 HA TYR B 276 21.049 4.181 39.491 1.00 20.38 H new ATOM 0 HB2 TYR B 276 22.351 2.297 39.297 1.00 19.42 H new ATOM 0 HB3 TYR B 276 23.201 3.494 38.769 1.00 19.42 H new ATOM 0 HD1 TYR B 276 22.880 1.371 41.601 1.00 21.22 H new ATOM 0 HD2 TYR B 276 25.295 4.039 39.829 1.00 21.11 H new ATOM 0 HE1 TYR B 276 24.550 0.855 43.114 1.00 20.77 H new ATOM 0 HE2 TYR B 276 26.969 3.533 41.349 1.00 21.57 H new ATOM 0 HH TYR B 276 27.595 2.304 43.121 1.00 24.96 H new ATOM 1987 N HIS B 277 20.455 2.502 41.406 1.00 21.59 N ATOM 1988 CA HIS B 277 19.904 1.900 42.612 1.00 22.46 C ATOM 1989 C HIS B 277 19.637 0.414 42.380 1.00 23.39 C ATOM 1990 O HIS B 277 19.926 -0.071 41.262 1.00 22.89 O ATOM 1991 CB HIS B 277 18.604 2.596 43.029 1.00 23.01 C ATOM 1992 CG HIS B 277 17.476 2.403 42.064 1.00 24.93 C ATOM 1993 ND1 HIS B 277 17.345 3.147 40.912 1.00 23.91 N ATOM 1994 CD2 HIS B 277 16.443 1.526 42.065 1.00 25.23 C ATOM 1995 CE1 HIS B 277 16.281 2.736 40.244 1.00 24.65 C ATOM 1996 NE2 HIS B 277 15.717 1.753 40.922 1.00 25.11 N ATOM 1997 OXT HIS B 277 19.144 -0.246 43.321 1.00 24.81 O ATOM 0 H HIS B 277 20.230 2.106 40.676 1.00 21.59 H new ATOM 0 HA HIS B 277 20.553 2.006 43.325 1.00 22.46 H new ATOM 0 HB2 HIS B 277 18.334 2.263 43.899 1.00 23.01 H new ATOM 0 HB3 HIS B 277 18.774 3.546 43.129 1.00 23.01 H new ATOM 0 HD1 HIS B 277 17.873 3.780 40.666 1.00 23.91 H new ATOM 0 HD2 HIS B 277 16.260 0.889 42.718 1.00 25.23 H new ATOM 0 HE1 HIS B 277 15.981 3.081 39.434 1.00 24.65 H new TER 1998 HIS B 277 HETATM 1999 C1 PHQ C 1 40.648 27.657 21.938 1.00 43.77 C HETATM 2000 O1 PHQ C 1 39.506 27.193 21.844 1.00 48.06 O HETATM 2001 O2 PHQ C 1 41.474 28.023 20.902 1.00 46.43 O HETATM 2002 C2 PHQ C 1 40.963 27.849 19.544 1.00 44.92 C HETATM 2003 C3 PHQ C 1 41.933 28.292 18.435 1.00 43.98 C HETATM 2004 C4 PHQ C 1 41.473 28.146 17.048 1.00 42.65 C HETATM 2005 C5 PHQ C 1 42.330 28.550 15.933 1.00 42.76 C HETATM 2006 C6 PHQ C 1 43.660 29.107 16.197 1.00 43.07 C HETATM 2007 C7 PHQ C 1 44.136 29.259 17.579 1.00 43.46 C HETATM 2008 C8 PHQ C 1 43.277 28.855 18.698 1.00 43.57 C HETATM 0 H81 PHQ C 1 43.590 28.957 19.611 1.00 43.57 H new HETATM 0 H71 PHQ C 1 45.017 29.626 17.751 1.00 43.46 H new HETATM 0 H61 PHQ C 1 44.227 29.376 15.458 1.00 43.07 H new HETATM 0 H51 PHQ C 1 42.018 28.449 15.020 1.00 42.76 H new HETATM 0 H41 PHQ C 1 40.593 27.778 16.869 1.00 42.65 H new HETATM 0 H22 PHQ C 1 40.743 26.914 19.411 1.00 44.92 H new HETATM 0 H21 PHQ C 1 40.137 28.350 19.455 1.00 44.92 H new ATOM 2009 N ASP C 2 41.151 28.535 22.799 1.00 39.13 N ATOM 2010 CA ASP C 2 40.653 28.680 24.162 1.00 37.29 C ATOM 2011 C ASP C 2 40.183 30.094 24.475 1.00 37.78 C ATOM 2012 O ASP C 2 40.819 31.073 24.086 1.00 39.02 O ATOM 2013 CB ASP C 2 41.731 28.280 25.165 1.00 34.42 C ATOM 2014 CG ASP C 2 42.040 26.802 25.125 1.00 32.28 C ATOM 2015 OD1 ASP C 2 41.082 26.005 25.108 1.00 30.43 O ATOM 2016 OD2 ASP C 2 43.233 26.437 25.123 1.00 30.66 O ATOM 0 HA ASP C 2 39.886 28.091 24.236 1.00 37.29 H new ATOM 0 HB2 ASP C 2 42.541 28.782 24.982 1.00 34.42 H new ATOM 0 HB3 ASP C 2 41.443 28.523 26.059 1.00 34.42 H new ATOM 2017 N GLU C 3 39.062 30.187 25.182 1.00 37.42 N ATOM 2018 CA GLU C 3 38.489 31.466 25.580 1.00 36.82 C ATOM 2019 C GLU C 3 38.129 31.361 27.061 1.00 36.37 C ATOM 2020 O GLU C 3 37.909 30.262 27.570 1.00 34.90 O ATOM 2021 CB GLU C 3 37.230 31.768 24.761 1.00 37.10 C ATOM 2022 CG GLU C 3 37.404 31.605 23.256 1.00 38.73 C ATOM 2023 CD GLU C 3 36.169 32.013 22.470 1.00 38.69 C ATOM 2024 OE1 GLU C 3 35.053 31.590 22.836 1.00 38.59 O ATOM 2025 OE2 GLU C 3 36.312 32.754 21.477 1.00 40.76 O ATOM 0 H GLU C 3 38.610 29.505 25.446 1.00 37.42 H new ATOM 0 HA GLU C 3 39.124 32.183 25.425 1.00 36.82 H new ATOM 0 HB2 GLU C 3 36.516 31.183 25.058 1.00 37.10 H new ATOM 0 HB3 GLU C 3 36.947 32.677 24.946 1.00 37.10 H new ATOM 0 HG2 GLU C 3 38.159 32.139 22.963 1.00 38.73 H new ATOM 0 HG3 GLU C 3 37.617 30.680 23.058 1.00 38.73 H new ATOM 2026 N VAL C 4 38.077 32.495 27.752 1.00 36.31 N ATOM 2027 CA VAL C 4 37.735 32.489 29.171 1.00 36.74 C ATOM 2028 C VAL C 4 36.257 32.783 29.388 1.00 36.26 C ATOM 2029 O VAL C 4 35.542 33.151 28.457 1.00 35.55 O ATOM 2030 CB VAL C 4 38.561 33.526 29.964 1.00 36.09 C ATOM 2031 CG1 VAL C 4 40.034 33.189 29.873 1.00 37.87 C ATOM 2032 CG2 VAL C 4 38.295 34.923 29.431 1.00 36.69 C ATOM 0 H VAL C 4 38.235 33.273 27.422 1.00 36.31 H new ATOM 0 HA VAL C 4 37.942 31.599 29.495 1.00 36.74 H new ATOM 0 HB VAL C 4 38.295 33.500 30.897 1.00 36.09 H new ATOM 0 HG11 VAL C 4 40.547 33.843 30.372 1.00 37.87 H new ATOM 0 HG12 VAL C 4 40.188 32.306 30.244 1.00 37.87 H new ATOM 0 HG13 VAL C 4 40.312 33.201 28.944 1.00 37.87 H new ATOM 0 HG21 VAL C 4 38.817 35.567 29.935 1.00 36.69 H new ATOM 0 HG22 VAL C 4 38.545 34.966 28.495 1.00 36.69 H new ATOM 0 HG23 VAL C 4 37.352 35.130 29.523 1.00 36.69 H new HETATM 2033 C1 MX3 C 5 34.679 39.465 32.182 1.00 62.28 C HETATM 2034 C2 MX3 C 5 34.198 40.107 33.416 1.00 63.36 C HETATM 2035 N20 MX3 C 5 35.524 32.109 30.241 1.00 38.04 N HETATM 2036 C3 MX3 C 5 35.103 40.572 34.435 1.00 63.81 C HETATM 2037 C4 MX3 C 5 36.509 40.413 34.259 1.00 63.70 C HETATM 2038 C5 MX3 C 5 37.039 39.790 33.064 1.00 63.94 C HETATM 2039 C6 MX3 C 5 36.134 39.302 32.000 1.00 62.53 C HETATM 2040 C7 MX3 C 5 33.518 39.009 31.166 1.00 59.28 C HETATM 2041 C9 MX3 C 5 34.246 35.142 30.723 1.00 47.92 C HETATM 2042 C10 MX3 C 5 34.662 34.418 32.037 1.00 37.81 C HETATM 2043 C11 MX3 C 5 33.941 33.126 31.872 1.00 39.34 C HETATM 2044 C15 MX3 C 5 34.141 36.611 30.714 1.00 52.57 C HETATM 2045 C12 MX3 C 5 33.537 30.854 30.986 1.00 39.84 C HETATM 2046 C13 MX3 C 5 32.933 30.693 29.604 1.00 39.81 C HETATM 2047 C14 MX3 C 5 32.354 37.164 32.533 1.00 57.49 C HETATM 2048 N2 MX3 C 5 34.346 32.097 31.057 1.00 39.13 N HETATM 2049 N3 MX3 C 5 33.346 37.544 31.467 1.00 56.58 N HETATM 2050 O4 MX3 C 5 34.947 36.982 29.839 1.00 54.87 O HETATM 2051 O6 MX3 C 5 32.930 33.060 32.547 1.00 39.73 O HETATM 2052 O7 MX3 C 5 32.568 29.549 29.246 1.00 39.81 O HETATM 2053 O8 MX3 C 5 32.818 31.721 28.869 1.00 41.98 O HETATM 0 H9C2 MX3 C 5 34.884 34.891 30.037 1.00 47.92 H new HETATM 0 H9C1 MX3 C 5 33.385 34.786 30.454 1.00 47.92 H new HETATM 0 H7C2 MX3 C 5 32.697 39.504 31.316 1.00 59.28 H new HETATM 0 H7C1 MX3 C 5 33.773 39.157 30.242 1.00 59.28 H new HETATM 0 H143 MX3 C 5 32.613 37.569 33.375 1.00 57.49 H new HETATM 0 H142 MX3 C 5 31.472 37.478 32.281 1.00 57.49 H new HETATM 0 H141 MX3 C 5 32.337 36.199 32.631 1.00 57.49 H new HETATM 0 H122 MX3 C 5 32.832 30.882 31.652 1.00 39.84 H new HETATM 0 H121 MX3 C 5 34.093 30.087 31.193 1.00 39.84 H new HETATM 0 H101 MX3 C 5 34.379 34.900 32.830 1.00 37.81 H new HETATM 0 H6 MX3 C 5 36.490 38.884 31.200 1.00 62.53 H new HETATM 0 H5 MX3 C 5 37.998 39.691 32.960 1.00 63.94 H new HETATM 0 H4 MX3 C 5 37.117 40.726 34.947 1.00 63.70 H new HETATM 0 H3 MX3 C 5 34.757 40.992 35.238 1.00 63.81 H new HETATM 0 H2 MX3 C 5 33.244 40.220 33.547 1.00 63.36 H new TER 2054 MX3 C 5 HETATM 2055 O HOH A2001 12.736 -5.505 63.375 1.00 36.03 O HETATM 2056 O HOH A2002 26.754 3.689 58.667 1.00 34.43 O HETATM 2057 O HOH A2003 20.673 4.193 52.479 1.00 34.08 O HETATM 2058 O HOH A2004 26.055 2.594 53.978 1.00 31.58 O HETATM 2059 O HOH A2005 21.990 7.363 46.378 1.00 21.64 O HETATM 2060 O HOH A2006 16.954 10.122 50.998 1.00 16.82 O HETATM 2061 O HOH A2007 16.346 11.888 47.136 1.00 12.86 O HETATM 2062 O HOH A2008 18.288 4.792 46.122 1.00 19.76 O HETATM 2063 O HOH A2009 14.414 7.816 40.503 1.00 19.95 O HETATM 2064 O HOH A2010 6.412 14.420 38.375 1.00 31.82 O HETATM 2065 O HOH A2011 20.982 37.345 23.151 1.00 26.79 O HETATM 2066 O HOH A2012 21.684 38.993 20.803 1.00 25.20 O HETATM 2067 O HOH A2013 15.982 39.531 24.384 1.00 34.26 O HETATM 2068 O HOH A2014 21.788 42.859 20.705 1.00 37.94 O HETATM 2069 O HOH A2015 11.257 10.377 34.559 1.00 24.66 O HETATM 2070 O HOH A2016 21.977 45.247 21.854 1.00 44.15 O HETATM 2071 O HOH A2017 27.836 37.902 22.411 1.00 28.39 O HETATM 2072 O HOH A2018 29.542 26.186 28.067 1.00 10.16 O HETATM 2073 O HOH A2019 31.712 19.129 25.927 1.00 7.03 O HETATM 2074 O HOH A2020 29.554 35.082 46.733 1.00 27.21 O HETATM 2075 O HOH A2021 27.692 36.756 45.919 1.00 31.83 O HETATM 2076 O HOH A2022 16.401 18.626 25.954 1.00 27.70 O HETATM 2077 O HOH A2023 25.522 9.547 31.008 1.00 10.00 O HETATM 2078 O HOH A2024 19.631 5.560 25.105 1.00 20.81 O HETATM 2079 O HOH A2025 25.709 9.100 28.420 1.00 25.49 O HETATM 2080 O HOH A2026 21.042 4.376 30.215 1.00 32.66 O HETATM 2081 O HOH A2027 13.835 8.806 35.795 1.00 30.82 O HETATM 2082 O HOH A2028 14.772 4.085 29.917 1.00 21.77 O HETATM 2083 O HOH A2029 13.085 12.143 35.459 1.00 21.96 O HETATM 2084 O HOH A2030 7.792 15.595 34.982 1.00 22.18 O HETATM 2085 O HOH A2031 35.291 28.324 48.707 1.00 19.36 O HETATM 2086 O HOH A2032 20.122 20.785 26.116 1.00 19.82 O HETATM 2087 O HOH A2033 13.442 39.458 29.065 1.00 40.83 O HETATM 2088 O HOH A2034 22.030 41.094 39.699 1.00 20.50 O HETATM 2089 O HOH A2035 14.739 33.504 24.605 1.00 25.02 O HETATM 2090 O HOH A2036 15.717 36.003 25.016 1.00 28.26 O HETATM 2091 O HOH A2037 7.338 33.406 37.234 1.00 41.13 O HETATM 2092 O HOH A2038 5.478 26.304 38.238 1.00 16.11 O HETATM 2093 O HOH A2039 7.699 25.268 34.993 1.00 26.12 O HETATM 2094 O HOH A2040 6.617 23.587 44.528 1.00 32.59 O HETATM 2095 O HOH A2041 6.062 19.132 35.007 1.00 40.83 O HETATM 2096 O HOH A2042 6.243 14.971 41.256 1.00 27.26 O HETATM 2097 O HOH A2043 4.078 20.468 38.986 1.00 28.91 O HETATM 2098 O HOH A2044 6.456 11.002 46.683 1.00 29.38 O HETATM 2099 O HOH A2045 13.518 17.944 40.024 1.00 23.42 O HETATM 2100 O HOH A2046 30.116 32.222 38.586 1.00 19.91 O HETATM 2101 O HOH A2047 34.565 37.703 40.528 1.00 32.33 O HETATM 2102 O HOH A2048 30.373 32.802 45.447 1.00 23.24 O HETATM 2103 O HOH A2049 31.981 38.870 42.384 1.00 38.06 O HETATM 2104 O HOH A2050 34.333 33.313 47.551 1.00 33.70 O HETATM 2105 O HOH A2051 25.468 34.842 44.675 1.00 21.23 O HETATM 2106 O HOH A2052 18.195 37.098 25.392 1.00 28.92 O HETATM 2107 O HOH A2053 24.406 40.554 40.094 1.00 29.42 O HETATM 2108 O HOH A2054 20.531 39.346 40.889 1.00 42.25 O HETATM 2109 O HOH A2055 25.613 29.832 51.045 1.00 26.05 O HETATM 2110 O HOH A2056 15.134 33.715 44.946 1.00 22.07 O HETATM 2111 O HOH A2057 13.518 36.206 44.312 1.00 32.07 O HETATM 2112 O HOH A2058 20.510 29.284 48.108 1.00 28.17 O HETATM 2113 O HOH A2059 24.648 29.977 45.836 1.00 22.56 O HETATM 2114 O HOH A2060 15.992 35.422 46.824 1.00 19.42 O HETATM 2115 O HOH A2061 14.291 22.048 48.929 1.00 16.17 O HETATM 2116 O HOH A2062 7.531 27.060 50.655 1.00 39.54 O HETATM 2117 O HOH A2063 8.552 29.134 53.525 1.00 43.99 O HETATM 2118 O HOH A2064 6.576 24.640 54.220 1.00 39.91 O HETATM 2119 O HOH A2065 7.210 24.739 48.732 1.00 24.45 O HETATM 2120 O HOH A2066 10.163 16.621 50.134 1.00 18.83 O HETATM 2121 O HOH A2067 5.650 19.676 58.726 1.00 48.71 O HETATM 2122 O HOH A2068 7.159 21.782 46.502 1.00 17.96 O HETATM 2123 O HOH A2069 12.209 13.950 51.830 1.00 24.87 O HETATM 2124 O HOH A2070 15.931 12.109 49.633 1.00 18.03 O HETATM 2125 O HOH A2071 8.812 14.952 48.626 1.00 28.96 O HETATM 2126 O HOH A2072 36.769 37.319 42.314 1.00 20.00 O HETATM 2127 O HOH A2073 33.644 27.869 46.365 1.00 23.62 O HETATM 2128 O HOH A2074 35.173 37.389 36.138 1.00 29.57 O HETATM 2129 O HOH A2075 39.444 37.692 40.815 1.00 25.04 O HETATM 2130 O HOH A2076 43.208 39.131 38.904 1.00 36.09 O HETATM 2131 O HOH A2077 46.763 34.814 40.460 1.00 38.59 O HETATM 2132 O HOH A2078 40.851 37.532 43.418 1.00 44.97 O HETATM 2133 O HOH A2079 43.541 36.383 45.647 1.00 30.52 O HETATM 2134 O HOH A2080 46.210 35.917 38.160 1.00 22.32 O HETATM 2135 O HOH A2081 43.189 27.410 39.749 1.00 11.46 O HETATM 2136 O HOH A2082 49.695 30.658 39.148 1.00 24.18 O HETATM 2137 O HOH A2083 54.457 26.988 35.617 1.00 22.41 O HETATM 2138 O HOH A2084 26.815 31.508 45.993 1.00 37.26 O HETATM 2139 O HOH A2085 26.646 29.740 47.992 1.00 26.03 O HETATM 2140 O HOH A2086 23.091 2.465 46.547 1.00 32.46 O HETATM 2141 O HOH B2003 32.454 5.894 28.621 1.00 24.39 O HETATM 2142 O HOH B2004 25.346 4.748 31.349 1.00 32.96 O HETATM 2143 O HOH B2005 18.877 13.028 57.669 1.00 20.45 O HETATM 2144 O HOH B2007 24.096 15.275 81.400 1.00 19.59 O HETATM 2145 O HOH B2008 24.758 16.909 75.220 1.00 32.70 O HETATM 2146 O HOH B2009 18.699 20.614 74.187 1.00 18.01 O HETATM 2147 O HOH B2010 20.742 17.453 75.655 1.00 30.77 O HETATM 2148 O HOH B2011 26.977 21.037 72.230 1.00 31.24 O HETATM 2149 O HOH B2012 13.534 21.964 66.909 1.00 38.61 O HETATM 2150 O HOH B2013 12.283 10.983 66.098 1.00 38.43 O HETATM 2151 O HOH B2014 23.540 25.689 50.448 1.00 20.36 O HETATM 2152 O HOH B2015 17.473 22.050 52.833 1.00 17.37 O HETATM 2153 O HOH B2016 16.832 19.812 51.657 1.00 12.21 O HETATM 2154 O HOH B2017 18.274 16.378 54.563 1.00 15.73 O HETATM 2155 O HOH B2018 28.513 28.074 46.750 1.00 29.26 O HETATM 2156 O HOH B2019 28.802 31.157 43.986 1.00 23.28 O HETATM 2157 O HOH B2020 33.088 20.531 40.384 1.00 12.94 O HETATM 2158 O HOH B2021 32.997 27.754 37.823 1.00 20.07 O HETATM 2159 O HOH B2022 41.051 26.788 38.348 1.00 11.89 O HETATM 2160 O HOH B2023 41.332 33.135 45.024 1.00 20.11 O HETATM 2161 O HOH B2024 41.577 29.402 36.018 1.00 22.85 O HETATM 2162 O HOH B2025 41.123 23.120 19.049 1.00 35.98 O HETATM 2163 O HOH B2026 32.629 17.578 23.859 1.00 45.65 O HETATM 2164 O HOH B2027 35.955 24.355 32.050 1.00 12.38 O HETATM 2165 O HOH B2028 32.915 14.363 26.878 1.00 14.90 O HETATM 2166 O HOH B2029 33.712 8.357 28.951 1.00 28.72 O HETATM 2167 O HOH B2030 26.354 6.796 32.334 1.00 20.06 O HETATM 2168 O HOH B2031 31.817 11.956 26.880 1.00 25.62 O HETATM 2169 O HOH B2032 27.465 12.885 24.374 1.00 32.69 O HETATM 2170 O HOH B2033 38.725 7.485 33.373 1.00 34.90 O HETATM 2171 O HOH B2034 36.169 8.110 29.832 1.00 31.54 O HETATM 2172 O HOH B2035 26.239 7.287 40.752 1.00 13.34 O HETATM 2173 O HOH B2036 27.567 -0.417 40.571 1.00 39.95 O HETATM 2174 O HOH B2037 27.146 5.031 33.762 1.00 21.82 O HETATM 2175 O HOH B2038 32.060 5.014 45.079 1.00 31.22 O HETATM 2176 O HOH B2039 27.659 13.029 48.540 1.00 10.95 O HETATM 2177 O HOH B2040 39.870 10.651 36.041 1.00 33.35 O HETATM 2178 O HOH B2041 37.426 8.909 42.233 1.00 16.33 O HETATM 2179 O HOH B2042 34.776 18.342 39.755 1.00 18.40 O HETATM 2180 O HOH B2043 40.014 9.409 41.888 1.00 13.45 O HETATM 2181 O HOH B2044 37.940 10.156 29.566 1.00 20.85 O HETATM 2182 O HOH B2045 48.807 18.721 29.966 1.00 35.88 O HETATM 2183 O HOH B2046 40.504 10.748 32.277 1.00 36.24 O HETATM 2184 O HOH B2047 42.373 11.632 34.592 1.00 38.37 O HETATM 2185 O HOH B2048 49.853 20.846 31.431 1.00 21.59 O HETATM 2186 O HOH B2049 51.693 35.013 19.837 1.00 27.34 O HETATM 2187 O HOH B2050 44.366 33.057 21.052 1.00 22.85 O HETATM 2188 O HOH B2051 50.408 40.417 26.721 1.00 43.00 O HETATM 2189 O HOH B2052 51.595 38.193 23.913 1.00 23.10 O HETATM 2190 O HOH B2053 49.510 36.046 33.086 1.00 27.45 O HETATM 2191 O HOH B2054 54.241 27.809 25.062 1.00 15.15 O HETATM 2192 O HOH B2055 51.358 35.307 31.671 1.00 25.89 O HETATM 2193 O HOH B2056 44.049 29.562 34.390 1.00 14.13 O HETATM 2194 O HOH B2057 44.314 22.589 33.895 1.00 12.06 O HETATM 2195 O HOH B2058 28.892 15.084 49.751 1.00 11.87 O HETATM 2196 O HOH B2059 19.397 13.913 55.249 1.00 24.51 O HETATM 2197 O HOH B2060 17.678 13.006 53.286 1.00 17.08 O HETATM 2198 O HOH B2061 31.448 4.426 47.577 1.00 17.81 O HETATM 2199 O HOH B2062 20.103 6.681 36.818 1.00 7.73 O HETATM 2200 O HOH B2063 20.846 4.868 45.210 1.00 18.97 O HETATM 2201 O HOH B2064 18.324 5.532 40.455 1.00 17.13 O HETATM 2202 O HOH B2065 18.699 -2.548 41.852 1.00 31.94 O HETATM 2203 O HOH C2087 42.796 31.103 21.899 1.00 28.60 O CONECT 1071 2042 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 2035 CONECT 2033 2034 2039 2040 CONECT 2034 2033 2036 CONECT 2035 2028 2048 CONECT 2036 2034 2037 CONECT 2037 2036 2038 CONECT 2038 2037 2039 CONECT 2039 2033 2038 CONECT 2040 2033 2049 CONECT 2041 2042 2044 CONECT 2042 1071 2041 2043 CONECT 2043 2042 2048 2051 CONECT 2044 2041 2049 2050 CONECT 2045 2046 2048 CONECT 2046 2045 2052 2053 CONECT 2047 2049 CONECT 2048 2035 2043 2045 CONECT 2049 2040 2044 2047 CONECT 2050 2044 CONECT 2051 2043 CONECT 2052 2046 CONECT 2053 2046 END