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*** CHAPERONE 02-MAR-04 1UYM ***elNémo ID: 240721184835586726Job options:ID = 240721184835586726 JOBID = CHAPERONE 02-MAR-04 1UYM USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER CHAPERONE 02-MAR-04 1UYM TITLE HUMAN HSP90-BETA WITH PU3 (9-BUTYL-8(3,4,5-TRIMETHOXY-BENZYL)-9H- TITLE 2 PURIN-6-YLAMINE) COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-BETA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL DOMAIN, RESIDUES 1-220; COMPND 5 SYNONYM: HSP 84, HSP 90; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 ORGAN: SKIN; SOURCE 6 TISSUE: MELANOMA; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET19; SOURCE 11 OTHER_DETAILS: CLONED FROM IMAGE\:3687913 KEYWDS HSP90, ATPASE, PU3, CHAPERONE, ATP-BINDING, HEAT SHOCK EXPDTA X-RAY DIFFRACTION AUTHOR L.WRIGHT,X.BARRIL,B.DYMOCK,L.SHERIDAN,A.SURGENOR,M.BESWICK, AUTHOR 2 M.DRYSDALE,A.COLLIER,A.MASSEY,N.DAVIES,A.FINK,C.FROMONT,W.AHERNE, AUTHOR 3 K.BOXALL,S.SHARP,P.WORKMAN,R.E.HUBBARD REVDAT 4 13-DEC-23 1UYM 1 REMARK REVDAT 3 05-JUL-17 1UYM 1 REMARK REVDAT 2 24-FEB-09 1UYM 1 VERSN REVDAT 1 17-AUG-04 1UYM 0 JRNL AUTH L.WRIGHT,X.BARRIL,B.DYMOCK,L.SHERIDAN,A.SURGENOR,M.BESWICK, JRNL AUTH 2 M.DRYSDALE,A.COLLIER,A.MASSEY,N.DAVIES,A.FINK,C.FROMONT, JRNL AUTH 3 W.AHERNE,K.BOXALL,S.SHARP,P.WORKMAN,R.E.HUBBARD JRNL TITL STRUCTURE-ACTIVITY RELATIONSHIPS IN PURINE-BASED INHIBITOR JRNL TITL 2 BINDING TO HSP90 ISOFORMS JRNL REF CHEM.BIOL. V. 11 775 2004 JRNL REFN ISSN 1074-5521 JRNL PMID 15217611 JRNL DOI 10.1016/J.CHEMBIOL.2004.03.033 REMARK 2 REMARK 2 RESOLUTION. 2.45 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.19 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.45 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 97.5 REMARK 3 NUMBER OF REFLECTIONS : 10292 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 + TEST SET) : 0.238 REMARK 3 R VALUE (WORKING SET) : 0.235 REMARK 3 FREE R VALUE : 0.294 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 518 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.45 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.51 REMARK 3 REFLECTION IN BIN (WORKING SET) : 740 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.3490 REMARK 3 BIN FREE R VALUE SET COUNT : 41 REMARK 3 BIN FREE R VALUE : 0.3530 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1651 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 27 REMARK 3 SOLVENT ATOMS : 154 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 59.79 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -1.48000 REMARK 3 B22 (A**2) : -0.47000 REMARK 3 B33 (A**2) : 1.95000 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 OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.486 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.316 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.250 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 10.750 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.936 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.907 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1751 ; 0.010 ; 0.021 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2363 ; 1.517 ; 1.982 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 214 ; 6.761 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 266 ; 0.147 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1299 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 813 ; 0.204 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 138 ; 0.160 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 38 ; 0.126 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 12 ; 0.275 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1064 ; 0.726 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1716 ; 1.364 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 687 ; 1.578 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 647 ; 2.721 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: RESIDUE GLU A225 WAS THE LAST RESIDUE REMARK 3 THAT WAS VISIBLE IN ELECTRON DENSITY. REMARK 4 REMARK 4 1UYM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 02-MAR-04. REMARK 100 THE DEPOSITION ID IS D_1290014638. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-JUL-02 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 6.50 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 : RIGAKU RUH3R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : OSMIC BLUE MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV REMARK 200 INTENSITY-INTEGRATION SOFTWARE : D*TREK REMARK 200 DATA SCALING SOFTWARE : D*TREK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11080 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.450 REMARK 200 RESOLUTION RANGE LOW (A) : 30.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.6 REMARK 200 DATA REDUNDANCY : 5.300 REMARK 200 R MERGE (I) : 0.06800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.7000 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) : 2.55 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.6 REMARK 200 DATA REDUNDANCY IN SHELL : 4.20 REMARK 200 R MERGE FOR SHELL (I) : 0.29700 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 1.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1YER REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 54.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG MME 2000, 0.1M NA CACODYLATE, REMARK 280 PH6.5, 0.2M MGCL2., PH 6.50 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 33.43050 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 45.35350 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 48.14450 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 33.43050 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 45.35350 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 48.14450 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 33.43050 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 45.35350 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 48.14450 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 33.43050 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 45.35350 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 48.14450 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: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 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 400 REMARK 400 COMPOUND REMARK 400 MOLECULAR CHAPERONE HAS ATPASE ACTIVITY REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 PRO A 7 REMARK 465 GLU A 8 REMARK 465 GLU A 9 REMARK 465 VAL A 10 REMARK 465 HIS A 11 REMARK 465 HIS A 12 REMARK 465 GLY A 13 REMARK 465 GLU A 14 REMARK 465 GLU A 15 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 GLU A 225 O REMARK 470 ARG A 226 CA C O CB CG CD NE REMARK 470 ARG A 226 CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 2029 O HOH A 2084 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LEU A 91 CA - CB - CG ANGL. DEV. = 14.5 DEGREES 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 ASP A 66 79.89 -151.22 REMARK 500 ALA A 166 -137.94 64.35 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A2022 DISTANCE = 6.52 ANGSTROMS REMARK 525 HOH A2024 DISTANCE = 6.26 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PU3 A1224 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BYQ RELATED DB: PDB REMARK 900 HSP90 N-TERMINAL DOMAIN BOUND TO ADP-MG REMARK 900 RELATED ID: 1OSF RELATED DB: PDB REMARK 900 HUMAN HSP90 IN COMPLEX WITH 17-DESMETHOXY- 17-N,N- REMARK 900 DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN REMARK 900 RELATED ID: 1YER RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, "CLOSED" CONFORMATION REMARK 900 RELATED ID: 1YES RELATED DB: PDB REMARK 900 HUMAN HSP90 GELDANAMYCIN-BINDING DOMAIN, "OPEN" CONFORMATION REMARK 900 RELATED ID: 1YET RELATED DB: PDB REMARK 900 GELDANAMYCIN BOUND TO THE HSP90 GELDANAMYCIN- BINDING DOMAIN REMARK 900 RELATED ID: 1UY6 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN- REMARK 900 6-YLAMINE REMARK 900 RELATED ID: 1UY7 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(4-METHOXY-BENZYL)-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1UY8 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(3-TRIMETHOXY-BENZYL)-9H-PURIN- REMARK 900 6YLAMINE REMARK 900 RELATED ID: 1UY9 RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL- 9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 1UYC RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1UYD RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8- (2-CHLORO-3,4,5-TRIMETHOXY-BENZYL) REMARK 900 -9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1UYE RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL) -9-PENT- REMARK 900 4-YLNYL-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1UYF RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL) -2- REMARK 900 FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1UYG RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6- REMARK 900 YLAMINE REMARK 900 RELATED ID: 1UYH RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2- FLUORO- REMARK 900 9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1UYI RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9- PENT-9H- REMARK 900 PURIN-6-YLAMINE REMARK 900 RELATED ID: 1UYK RELATED DB: PDB REMARK 900 HUMAN HSP90-ALPHA WITH 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL -2- REMARK 900 FLUORO-9H-PURIN-6-YLAMINE REMARK 900 RELATED ID: 1UYL RELATED DB: PDB REMARK 900 STRUCTURE-ACTIVITY RELATIONSHIPS IN PURINE-BASED INHIBITOR BINDING REMARK 900 TO HSP90 ISOFORMS DBREF 1UYM A 7 226 UNP P08238 HS9B_HUMAN 1 220 SEQRES 1 A 220 PRO GLU GLU VAL HIS HIS GLY GLU GLU GLU VAL GLU THR SEQRES 2 A 220 PHE ALA PHE GLN ALA GLU ILE ALA GLN LEU MET SER LEU SEQRES 3 A 220 ILE ILE ASN THR PHE TYR SER ASN LYS GLU ILE PHE LEU SEQRES 4 A 220 ARG GLU LEU ILE SER ASN ALA SER ASP ALA LEU ASP LYS SEQRES 5 A 220 ILE ARG TYR GLU SER LEU THR ASP PRO SER LYS LEU ASP SEQRES 6 A 220 SER GLY LYS GLU LEU LYS ILE ASP ILE ILE PRO ASN PRO SEQRES 7 A 220 GLN GLU ARG THR LEU THR LEU VAL ASP THR GLY ILE GLY SEQRES 8 A 220 MET THR LYS ALA ASP LEU ILE ASN ASN LEU GLY THR ILE SEQRES 9 A 220 ALA LYS SER GLY THR LYS ALA PHE MET GLU ALA LEU GLN SEQRES 10 A 220 ALA GLY ALA ASP ILE SER MET ILE GLY GLN PHE GLY VAL SEQRES 11 A 220 GLY PHE TYR SER ALA TYR LEU VAL ALA GLU LYS VAL VAL SEQRES 12 A 220 VAL ILE THR LYS HIS ASN ASP ASP GLU GLN TYR ALA TRP SEQRES 13 A 220 GLU SER SER ALA GLY GLY SER PHE THR VAL ARG ALA ASP SEQRES 14 A 220 HIS GLY GLU PRO ILE GLY ARG GLY THR LYS VAL ILE LEU SEQRES 15 A 220 HIS LEU LYS GLU ASP GLN THR GLU TYR LEU GLU GLU ARG SEQRES 16 A 220 ARG VAL LYS GLU VAL VAL LYS LYS HIS SER GLN PHE ILE SEQRES 17 A 220 GLY TYR PRO ILE THR LEU TYR LEU GLU LYS GLU ARG HET PU3 A1224 27 HETNAM PU3 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE FORMUL 2 PU3 C19 H25 N5 O3 FORMUL 3 HOH *154(H2 O) HELIX 1 1 GLN A 23 THR A 36 1 14 HELIX 2 2 GLU A 42 SER A 63 1 22 HELIX 3 3 ASP A 66 ASP A 71 5 6 HELIX 4 4 THR A 99 ASN A 105 1 7 HELIX 5 5 ASN A 105 GLN A 123 1 19 HELIX 6 6 ASP A 127 GLY A 135 5 9 HELIX 7 7 VAL A 136 LEU A 143 5 8 HELIX 8 8 GLU A 192 LEU A 198 5 7 HELIX 9 9 GLU A 199 SER A 211 1 13 SHEET 1 AA 8 GLU A 18 ALA A 21 0 SHEET 2 AA 8 SER A 169 ALA A 174 -1 O PHE A 170 N PHE A 20 SHEET 3 AA 8 TYR A 160 SER A 164 -1 O ALA A 161 N ARG A 173 SHEET 4 AA 8 ALA A 145 LYS A 153 -1 O VAL A 148 N SER A 164 SHEET 5 AA 8 GLY A 183 LEU A 190 -1 O GLY A 183 N LYS A 153 SHEET 6 AA 8 THR A 88 ASP A 93 -1 O LEU A 89 N LEU A 188 SHEET 7 AA 8 ILE A 78 ASN A 83 -1 O ASP A 79 N VAL A 92 SHEET 8 AA 8 ILE A 218 LEU A 220 1 O THR A 219 N ILE A 80 SITE 1 AC1 14 ASN A 51 ALA A 55 ASP A 93 MET A 98 SITE 2 AC1 14 LEU A 107 ALA A 111 PHE A 138 TYR A 139 SITE 3 AC1 14 VAL A 150 THR A 184 HOH A2089 HOH A2152 SITE 4 AC1 14 HOH A2153 HOH A2154 CRYST1 66.861 90.707 96.289 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 0.014956 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011024 0.000000 0.00000 SCALE3 0.000000 0.000000 0.010385 0.00000 ATOM 1 N GLU A 16 6.354 29.643 37.650 1.00 95.81 N ATOM 2 CA GLU A 16 7.539 28.771 37.750 1.00 91.80 C ATOM 3 C GLU A 16 7.819 27.780 36.608 1.00 88.33 C ATOM 4 O GLU A 16 7.581 26.575 36.726 1.00 87.96 O ATOM 5 CB GLU A 16 7.565 28.053 39.104 1.00 92.30 C ATOM 6 CG GLU A 16 8.570 28.638 40.083 1.00 93.37 C ATOM 7 CD GLU A 16 10.005 28.370 39.671 1.00 94.15 C ATOM 8 OE1 GLU A 16 10.492 27.247 39.912 1.00 94.16 O ATOM 9 OE2 GLU A 16 10.640 29.284 39.105 1.00 94.73 O ATOM 10 N VAL A 17 8.359 28.314 35.520 1.00 83.83 N ATOM 11 CA VAL A 17 8.801 27.535 34.376 1.00 79.51 C ATOM 12 C VAL A 17 10.191 26.929 34.623 1.00 76.47 C ATOM 13 O VAL A 17 11.155 27.633 34.928 1.00 75.50 O ATOM 14 CB VAL A 17 8.846 28.418 33.102 1.00 79.75 C ATOM 15 CG1 VAL A 17 9.054 27.585 31.867 1.00 78.90 C ATOM 16 CG2 VAL A 17 7.583 29.270 32.982 1.00 79.64 C ATOM 17 N GLU A 18 10.274 25.612 34.499 1.00 72.87 N ATOM 18 CA GLU A 18 11.550 24.914 34.505 1.00 69.61 C ATOM 19 C GLU A 18 11.910 24.618 33.051 1.00 67.13 C ATOM 20 O GLU A 18 11.064 24.197 32.273 1.00 66.45 O ATOM 21 CB GLU A 18 11.481 23.631 35.357 1.00 69.72 C ATOM 22 CG GLU A 18 10.812 23.826 36.717 1.00 70.20 C ATOM 23 CD GLU A 18 10.956 22.650 37.675 1.00 71.03 C ATOM 24 OE1 GLU A 18 10.498 21.528 37.362 1.00 70.19 O ATOM 25 OE2 GLU A 18 11.509 22.861 38.776 1.00 72.38 O ATOM 26 N THR A 19 13.158 24.882 32.681 1.00 64.35 N ATOM 27 CA THR A 19 13.630 24.635 31.328 1.00 61.38 C ATOM 28 C THR A 19 14.614 23.462 31.309 1.00 60.08 C ATOM 29 O THR A 19 15.533 23.401 32.114 1.00 59.28 O ATOM 30 CB THR A 19 14.281 25.898 30.764 1.00 61.33 C ATOM 31 OG1 THR A 19 13.332 26.971 30.764 1.00 60.46 O ATOM 32 CG2 THR A 19 14.639 25.725 29.299 1.00 59.37 C ATOM 33 N PHE A 20 14.406 22.530 30.385 1.00 58.64 N ATOM 34 CA PHE A 20 15.268 21.363 30.272 1.00 57.39 C ATOM 35 C PHE A 20 15.777 21.219 28.846 1.00 57.34 C ATOM 36 O PHE A 20 15.114 21.639 27.892 1.00 57.09 O ATOM 37 CB PHE A 20 14.519 20.090 30.671 1.00 56.93 C ATOM 38 CG PHE A 20 13.859 20.155 32.016 1.00 55.01 C ATOM 39 CD1 PHE A 20 12.541 20.583 32.138 1.00 52.62 C ATOM 40 CD2 PHE A 20 14.546 19.758 33.164 1.00 53.78 C ATOM 41 CE1 PHE A 20 11.916 20.626 33.385 1.00 53.23 C ATOM 42 CE2 PHE A 20 13.933 19.810 34.420 1.00 53.77 C ATOM 43 CZ PHE A 20 12.611 20.244 34.529 1.00 52.24 C ATOM 44 N ALA A 21 16.956 20.626 28.702 1.00 56.86 N ATOM 45 CA ALA A 21 17.484 20.327 27.380 1.00 57.06 C ATOM 46 C ALA A 21 17.036 18.913 26.990 1.00 56.89 C ATOM 47 O ALA A 21 17.009 18.023 27.838 1.00 57.32 O ATOM 48 CB ALA A 21 19.021 20.444 27.378 1.00 56.89 C ATOM 49 N PHE A 22 16.657 18.710 25.730 1.00 56.33 N ATOM 50 CA PHE A 22 16.425 17.360 25.240 1.00 56.15 C ATOM 51 C PHE A 22 17.776 16.640 25.256 1.00 56.71 C ATOM 52 O PHE A 22 18.849 17.272 25.251 1.00 57.22 O ATOM 53 CB PHE A 22 15.885 17.353 23.793 1.00 55.46 C ATOM 54 CG PHE A 22 14.489 17.901 23.632 1.00 54.01 C ATOM 55 CD1 PHE A 22 13.375 17.171 24.041 1.00 52.91 C ATOM 56 CD2 PHE A 22 14.279 19.131 23.026 1.00 51.72 C ATOM 57 CE1 PHE A 22 12.079 17.682 23.874 1.00 51.14 C ATOM 58 CE2 PHE A 22 12.984 19.640 22.863 1.00 49.77 C ATOM 59 CZ PHE A 22 11.892 18.918 23.283 1.00 48.84 C ATOM 60 N GLN A 23 17.735 15.318 25.248 1.00 56.82 N ATOM 61 CA GLN A 23 18.917 14.552 24.888 1.00 56.79 C ATOM 62 C GLN A 23 19.299 14.905 23.458 1.00 56.85 C ATOM 63 O GLN A 23 18.424 15.152 22.620 1.00 56.76 O ATOM 64 CB GLN A 23 18.635 13.065 24.992 1.00 57.04 C ATOM 65 CG GLN A 23 18.325 12.592 26.385 1.00 57.11 C ATOM 66 CD GLN A 23 17.672 11.249 26.350 1.00 61.10 C ATOM 67 OE1 GLN A 23 16.482 11.136 26.032 1.00 61.45 O ATOM 68 NE2 GLN A 23 18.443 10.209 26.649 1.00 62.37 N ATOM 69 N ALA A 24 20.603 14.923 23.185 1.00 56.92 N ATOM 70 CA ALA A 24 21.144 15.385 21.903 1.00 56.67 C ATOM 71 C ALA A 24 20.525 14.686 20.718 1.00 56.75 C ATOM 72 O ALA A 24 20.275 15.311 19.695 1.00 57.19 O ATOM 73 CB ALA A 24 22.655 15.237 21.870 1.00 56.71 C ATOM 74 N GLU A 25 20.277 13.389 20.868 1.00 56.98 N ATOM 75 CA GLU A 25 19.690 12.561 19.820 1.00 57.16 C ATOM 76 C GLU A 25 18.269 12.982 19.454 1.00 56.75 C ATOM 77 O GLU A 25 17.872 12.903 18.295 1.00 56.36 O ATOM 78 CB GLU A 25 19.699 11.089 20.243 1.00 57.43 C ATOM 79 CG GLU A 25 21.090 10.483 20.353 1.00 58.91 C ATOM 80 CD GLU A 25 21.694 10.641 21.734 1.00 61.45 C ATOM 81 OE1 GLU A 25 20.987 11.113 22.652 1.00 63.80 O ATOM 82 OE2 GLU A 25 22.882 10.298 21.908 1.00 63.50 O ATOM 83 N ILE A 26 17.513 13.430 20.448 1.00 56.72 N ATOM 84 CA ILE A 26 16.125 13.835 20.242 1.00 56.80 C ATOM 85 C ILE A 26 16.075 15.243 19.650 1.00 57.05 C ATOM 86 O ILE A 26 15.244 15.522 18.791 1.00 56.86 O ATOM 87 CB ILE A 26 15.314 13.693 21.557 1.00 56.60 C ATOM 88 CG1 ILE A 26 15.257 12.214 21.972 1.00 55.72 C ATOM 89 CG2 ILE A 26 13.927 14.310 21.423 1.00 56.59 C ATOM 90 CD1 ILE A 26 14.516 11.935 23.272 1.00 55.65 C ATOM 91 N ALA A 27 16.991 16.109 20.089 1.00 57.27 N ATOM 92 CA ALA A 27 17.229 17.393 19.421 1.00 57.28 C ATOM 93 C ALA A 27 17.608 17.201 17.941 1.00 57.10 C ATOM 94 O ALA A 27 17.201 17.988 17.076 1.00 56.42 O ATOM 95 CB ALA A 27 18.302 18.197 20.155 1.00 56.70 C ATOM 96 N GLN A 28 18.373 16.149 17.659 1.00 57.32 N ATOM 97 CA GLN A 28 18.779 15.846 16.284 1.00 57.74 C ATOM 98 C GLN A 28 17.631 15.279 15.438 1.00 57.30 C ATOM 99 O GLN A 28 17.437 15.663 14.281 1.00 57.13 O ATOM 100 CB GLN A 28 20.097 15.063 16.252 1.00 58.28 C ATOM 101 CG GLN A 28 20.070 13.578 15.919 1.00 61.88 C ATOM 102 CD GLN A 28 21.486 13.014 15.772 1.00 64.88 C ATOM 103 OE1 GLN A 28 22.205 12.865 16.768 1.00 66.81 O ATOM 104 NE2 GLN A 28 21.890 12.720 14.539 1.00 64.95 N ATOM 105 N LEU A 29 16.836 14.413 16.048 1.00 57.11 N ATOM 106 CA LEU A 29 15.579 13.961 15.465 1.00 57.06 C ATOM 107 C LEU A 29 14.659 15.126 15.123 1.00 56.65 C ATOM 108 O LEU A 29 14.157 15.213 14.007 1.00 56.78 O ATOM 109 CB LEU A 29 14.868 13.015 16.424 1.00 57.09 C ATOM 110 CG LEU A 29 13.501 12.520 15.976 1.00 58.48 C ATOM 111 CD1 LEU A 29 13.635 11.525 14.830 1.00 58.94 C ATOM 112 CD2 LEU A 29 12.739 11.929 17.158 1.00 58.57 C ATOM 113 N MET A 30 14.454 16.022 16.085 1.00 56.49 N ATOM 114 CA MET A 30 13.623 17.217 15.885 1.00 56.20 C ATOM 115 C MET A 30 14.112 18.118 14.745 1.00 56.34 C ATOM 116 O MET A 30 13.325 18.501 13.903 1.00 56.37 O ATOM 117 CB MET A 30 13.452 17.985 17.195 1.00 55.64 C ATOM 118 CG MET A 30 12.625 17.209 18.206 1.00 54.94 C ATOM 119 SD MET A 30 12.558 17.924 19.860 1.00 52.92 S ATOM 120 CE MET A 30 11.446 19.290 19.612 1.00 54.87 C ATOM 121 N SER A 31 15.406 18.424 14.699 1.00 57.17 N ATOM 122 CA SER A 31 15.985 19.174 13.574 1.00 58.05 C ATOM 123 C SER A 31 15.742 18.454 12.240 1.00 58.70 C ATOM 124 O SER A 31 15.330 19.083 11.261 1.00 59.15 O ATOM 125 CB SER A 31 17.492 19.379 13.760 1.00 57.99 C ATOM 126 OG SER A 31 17.782 19.990 14.998 1.00 58.82 O ATOM 127 N LEU A 32 16.007 17.146 12.204 1.00 58.86 N ATOM 128 CA LEU A 32 15.778 16.357 11.013 1.00 59.57 C ATOM 129 C LEU A 32 14.334 16.515 10.522 1.00 59.71 C ATOM 130 O LEU A 32 14.109 16.812 9.353 1.00 59.18 O ATOM 131 CB LEU A 32 16.117 14.890 11.270 1.00 60.34 C ATOM 132 CG LEU A 32 15.843 13.921 10.113 1.00 61.72 C ATOM 133 CD1 LEU A 32 17.123 13.276 9.668 1.00 61.91 C ATOM 134 CD2 LEU A 32 14.823 12.883 10.541 1.00 63.12 C ATOM 135 N ILE A 33 13.372 16.349 11.430 1.00 60.27 N ATOM 136 CA ILE A 33 11.945 16.543 11.121 1.00 60.68 C ATOM 137 C ILE A 33 11.578 17.971 10.688 1.00 61.10 C ATOM 138 O ILE A 33 10.712 18.157 9.829 1.00 61.09 O ATOM 139 CB ILE A 33 11.072 16.063 12.299 1.00 60.68 C ATOM 140 CG1 ILE A 33 11.111 14.537 12.391 1.00 60.16 C ATOM 141 CG2 ILE A 33 9.625 16.567 12.179 1.00 60.60 C ATOM 142 CD1 ILE A 33 10.934 14.016 13.806 1.00 61.51 C ATOM 143 N ILE A 34 12.235 18.975 11.260 1.00 61.86 N ATOM 144 CA ILE A 34 12.019 20.351 10.810 1.00 62.96 C ATOM 145 C ILE A 34 12.724 20.658 9.463 1.00 63.74 C ATOM 146 O ILE A 34 12.126 21.252 8.568 1.00 64.12 O ATOM 147 CB ILE A 34 12.363 21.376 11.941 1.00 62.84 C ATOM 148 CG1 ILE A 34 11.242 21.414 12.981 1.00 63.03 C ATOM 149 CG2 ILE A 34 12.557 22.789 11.399 1.00 62.80 C ATOM 150 CD1 ILE A 34 11.744 21.459 14.414 1.00 62.70 C ATOM 151 N ASN A 35 13.970 20.228 9.308 1.00 64.59 N ATOM 152 CA ASN A 35 14.772 20.643 8.155 1.00 65.56 C ATOM 153 C ASN A 35 14.588 19.853 6.857 1.00 65.81 C ATOM 154 O ASN A 35 14.693 20.425 5.766 1.00 66.06 O ATOM 155 CB ASN A 35 16.260 20.680 8.521 1.00 65.98 C ATOM 156 CG ASN A 35 16.552 21.612 9.676 1.00 66.18 C ATOM 157 OD1 ASN A 35 15.748 22.486 10.006 1.00 64.42 O ATOM 158 ND2 ASN A 35 17.714 21.423 10.306 1.00 67.52 N ATOM 159 N THR A 36 14.342 18.548 6.983 1.00 65.63 N ATOM 160 CA THR A 36 14.177 17.659 5.832 1.00 65.54 C ATOM 161 C THR A 36 12.982 18.050 4.947 1.00 65.28 C ATOM 162 O THR A 36 11.881 18.307 5.450 1.00 65.10 O ATOM 163 CB THR A 36 14.028 16.195 6.318 1.00 65.64 C ATOM 164 OG1 THR A 36 15.088 15.887 7.234 1.00 66.04 O ATOM 165 CG2 THR A 36 14.243 15.197 5.178 1.00 65.70 C ATOM 166 N PHE A 37 13.212 18.089 3.635 1.00 64.73 N ATOM 167 CA PHE A 37 12.143 18.312 2.664 1.00 64.22 C ATOM 168 C PHE A 37 11.287 17.057 2.549 1.00 63.91 C ATOM 169 O PHE A 37 11.741 16.019 2.047 1.00 64.21 O ATOM 170 CB PHE A 37 12.710 18.695 1.295 1.00 64.17 C ATOM 171 CG PHE A 37 11.660 18.970 0.258 1.00 64.25 C ATOM 172 CD1 PHE A 37 10.967 20.186 0.252 1.00 64.37 C ATOM 173 CD2 PHE A 37 11.359 18.018 -0.714 1.00 64.02 C ATOM 174 CE1 PHE A 37 9.992 20.444 -0.705 1.00 64.26 C ATOM 175 CE2 PHE A 37 10.384 18.262 -1.679 1.00 63.76 C ATOM 176 CZ PHE A 37 9.701 19.474 -1.677 1.00 64.98 C ATOM 177 N TYR A 38 10.050 17.157 3.021 1.00 63.01 N ATOM 178 CA TYR A 38 9.151 16.017 3.082 1.00 62.07 C ATOM 179 C TYR A 38 7.732 16.535 3.019 1.00 61.68 C ATOM 180 O TYR A 38 7.251 17.160 3.966 1.00 61.73 O ATOM 181 CB TYR A 38 9.379 15.214 4.369 1.00 61.94 C ATOM 182 CG TYR A 38 8.582 13.938 4.428 1.00 62.01 C ATOM 183 CD1 TYR A 38 8.975 12.820 3.701 1.00 62.58 C ATOM 184 CD2 TYR A 38 7.420 13.855 5.197 1.00 62.64 C ATOM 185 CE1 TYR A 38 8.241 11.655 3.733 1.00 63.57 C ATOM 186 CE2 TYR A 38 6.678 12.691 5.240 1.00 63.44 C ATOM 187 CZ TYR A 38 7.097 11.595 4.508 1.00 64.12 C ATOM 188 OH TYR A 38 6.374 10.435 4.536 1.00 65.89 O ATOM 189 N SER A 39 7.059 16.271 1.904 1.00 61.00 N ATOM 190 CA SER A 39 5.750 16.860 1.645 1.00 60.46 C ATOM 191 C SER A 39 4.570 16.129 2.268 1.00 59.94 C ATOM 192 O SER A 39 3.545 16.750 2.507 1.00 59.76 O ATOM 193 CB SER A 39 5.527 17.033 0.149 1.00 60.40 C ATOM 194 OG SER A 39 6.485 17.934 -0.369 1.00 61.87 O ATOM 195 N ASN A 40 4.705 14.828 2.530 1.00 59.19 N ATOM 196 CA ASN A 40 3.586 14.039 3.055 1.00 58.63 C ATOM 197 C ASN A 40 3.388 14.244 4.567 1.00 58.15 C ATOM 198 O ASN A 40 3.400 13.298 5.364 1.00 57.76 O ATOM 199 CB ASN A 40 3.725 12.563 2.646 1.00 58.66 C ATOM 200 CG ASN A 40 2.619 11.672 3.212 1.00 59.66 C ATOM 201 OD1 ASN A 40 2.893 10.577 3.718 1.00 62.12 O ATOM 202 ND2 ASN A 40 1.376 12.124 3.119 1.00 59.94 N ATOM 203 N LYS A 41 3.182 15.508 4.931 1.00 57.72 N ATOM 204 CA LYS A 41 3.110 15.961 6.325 1.00 57.43 C ATOM 205 C LYS A 41 1.888 15.479 7.118 1.00 57.00 C ATOM 206 O LYS A 41 1.941 15.368 8.352 1.00 56.84 O ATOM 207 CB LYS A 41 3.185 17.490 6.376 1.00 57.67 C ATOM 208 CG LYS A 41 4.524 18.085 5.904 1.00 57.33 C ATOM 209 CD LYS A 41 4.500 19.601 6.061 1.00 58.57 C ATOM 210 CE LYS A 41 5.718 20.274 5.462 1.00 58.77 C ATOM 211 NZ LYS A 41 6.770 20.454 6.493 1.00 59.10 N ATOM 212 N GLU A 42 0.807 15.164 6.412 1.00 56.35 N ATOM 213 CA GLU A 42 -0.469 14.835 7.046 1.00 56.17 C ATOM 214 C GLU A 42 -0.449 13.657 8.030 1.00 55.84 C ATOM 215 O GLU A 42 -1.410 13.478 8.774 1.00 55.55 O ATOM 216 CB GLU A 42 -1.559 14.624 5.991 1.00 56.53 C ATOM 217 CG GLU A 42 -1.423 13.349 5.164 1.00 56.92 C ATOM 218 CD GLU A 42 -2.415 13.303 4.022 1.00 58.55 C ATOM 219 OE1 GLU A 42 -2.627 14.354 3.371 1.00 59.71 O ATOM 220 OE2 GLU A 42 -2.987 12.224 3.775 1.00 59.26 O ATOM 221 N ILE A 43 0.635 12.873 8.034 1.00 55.11 N ATOM 222 CA ILE A 43 0.793 11.738 8.962 1.00 54.80 C ATOM 223 C ILE A 43 0.981 12.158 10.436 1.00 54.72 C ATOM 224 O ILE A 43 0.933 11.323 11.348 1.00 54.50 O ATOM 225 CB ILE A 43 1.921 10.762 8.497 1.00 54.84 C ATOM 226 CG1 ILE A 43 3.303 11.428 8.511 1.00 54.86 C ATOM 227 CG2 ILE A 43 1.631 10.265 7.089 1.00 55.40 C ATOM 228 CD1 ILE A 43 3.997 11.406 9.831 1.00 56.27 C ATOM 229 N PHE A 44 1.172 13.455 10.663 1.00 54.35 N ATOM 230 CA PHE A 44 1.226 13.987 12.016 1.00 54.10 C ATOM 231 C PHE A 44 -0.075 13.618 12.717 1.00 54.28 C ATOM 232 O PHE A 44 -0.068 13.228 13.887 1.00 54.66 O ATOM 233 CB PHE A 44 1.480 15.515 12.018 1.00 53.87 C ATOM 234 CG PHE A 44 0.234 16.346 11.914 1.00 52.70 C ATOM 235 CD1 PHE A 44 -0.252 16.731 10.675 1.00 52.86 C ATOM 236 CD2 PHE A 44 -0.476 16.720 13.057 1.00 52.28 C ATOM 237 CE1 PHE A 44 -1.418 17.477 10.569 1.00 51.23 C ATOM 238 CE2 PHE A 44 -1.638 17.464 12.955 1.00 50.99 C ATOM 239 CZ PHE A 44 -2.108 17.847 11.713 1.00 50.74 C ATOM 240 N LEU A 45 -1.183 13.710 11.983 1.00 53.76 N ATOM 241 CA LEU A 45 -2.504 13.510 12.574 1.00 53.69 C ATOM 242 C LEU A 45 -2.747 12.056 13.008 1.00 53.65 C ATOM 243 O LEU A 45 -3.174 11.813 14.134 1.00 53.63 O ATOM 244 CB LEU A 45 -3.613 14.023 11.650 1.00 52.89 C ATOM 245 CG LEU A 45 -4.919 14.332 12.382 1.00 53.58 C ATOM 246 CD1 LEU A 45 -4.720 15.350 13.517 1.00 51.65 C ATOM 247 CD2 LEU A 45 -6.028 14.767 11.408 1.00 52.14 C ATOM 248 N ARG A 46 -2.460 11.109 12.119 1.00 53.73 N ATOM 249 CA ARG A 46 -2.512 9.686 12.440 1.00 54.05 C ATOM 250 C ARG A 46 -1.708 9.336 13.709 1.00 53.48 C ATOM 251 O ARG A 46 -2.208 8.601 14.552 1.00 53.73 O ATOM 252 CB ARG A 46 -2.056 8.858 11.226 1.00 54.22 C ATOM 253 CG ARG A 46 -2.037 7.345 11.391 1.00 56.64 C ATOM 254 CD ARG A 46 -1.332 6.610 10.241 1.00 61.32 C ATOM 255 NE ARG A 46 0.107 6.918 10.167 1.00 64.78 N ATOM 256 CZ ARG A 46 0.844 6.953 9.047 1.00 63.22 C ATOM 257 NH1 ARG A 46 0.314 6.706 7.860 1.00 62.60 N ATOM 258 NH2 ARG A 46 2.131 7.236 9.127 1.00 63.66 N ATOM 259 N GLU A 47 -0.493 9.879 13.855 1.00 53.31 N ATOM 260 CA GLU A 47 0.400 9.513 14.971 1.00 53.07 C ATOM 261 C GLU A 47 -0.142 10.003 16.300 1.00 53.01 C ATOM 262 O GLU A 47 -0.094 9.293 17.311 1.00 53.18 O ATOM 263 CB GLU A 47 1.831 10.066 14.803 1.00 52.85 C ATOM 264 CG GLU A 47 2.600 9.667 13.556 1.00 53.28 C ATOM 265 CD GLU A 47 2.671 8.173 13.334 1.00 56.14 C ATOM 266 OE1 GLU A 47 2.643 7.401 14.315 1.00 55.26 O ATOM 267 OE2 GLU A 47 2.747 7.764 12.149 1.00 59.88 O ATOM 268 N LEU A 48 -0.638 11.235 16.287 1.00 52.69 N ATOM 269 CA LEU A 48 -1.174 11.872 17.482 1.00 52.19 C ATOM 270 C LEU A 48 -2.483 11.229 17.940 1.00 51.53 C ATOM 271 O LEU A 48 -2.673 11.019 19.140 1.00 51.21 O ATOM 272 CB LEU A 48 -1.341 13.381 17.257 1.00 52.29 C ATOM 273 CG LEU A 48 -0.067 14.174 16.948 1.00 52.29 C ATOM 274 CD1 LEU A 48 -0.349 15.651 17.051 1.00 54.34 C ATOM 275 CD2 LEU A 48 1.103 13.801 17.864 1.00 54.27 C ATOM 276 N ILE A 49 -3.368 10.910 16.992 1.00 50.96 N ATOM 277 CA ILE A 49 -4.586 10.157 17.304 1.00 50.87 C ATOM 278 C ILE A 49 -4.235 8.766 17.887 1.00 51.39 C ATOM 279 O ILE A 49 -4.925 8.263 18.785 1.00 51.55 O ATOM 280 CB ILE A 49 -5.512 9.994 16.051 1.00 50.66 C ATOM 281 CG1 ILE A 49 -6.146 11.329 15.632 1.00 48.48 C ATOM 282 CG2 ILE A 49 -6.605 8.914 16.320 1.00 48.98 C ATOM 283 CD1 ILE A 49 -6.794 11.312 14.253 1.00 41.96 C ATOM 284 N SER A 50 -3.181 8.151 17.360 1.00 51.25 N ATOM 285 CA SER A 50 -2.765 6.828 17.808 1.00 52.05 C ATOM 286 C SER A 50 -2.248 6.867 19.253 1.00 52.15 C ATOM 287 O SER A 50 -2.647 6.043 20.076 1.00 52.19 O ATOM 288 CB SER A 50 -1.737 6.232 16.834 1.00 52.40 C ATOM 289 OG SER A 50 -1.231 4.993 17.300 1.00 53.55 O ATOM 290 N ASN A 51 -1.395 7.850 19.563 1.00 52.33 N ATOM 291 CA ASN A 51 -0.959 8.117 20.937 1.00 52.20 C ATOM 292 C ASN A 51 -2.155 8.285 21.892 1.00 51.82 C ATOM 293 O ASN A 51 -2.150 7.768 23.015 1.00 51.58 O ATOM 294 CB ASN A 51 -0.068 9.375 20.989 1.00 52.32 C ATOM 295 CG ASN A 51 1.351 9.148 20.431 1.00 52.39 C ATOM 296 OD1 ASN A 51 1.769 8.024 20.152 1.00 52.48 O ATOM 297 ND2 ASN A 51 2.089 10.233 20.277 1.00 50.84 N ATOM 298 N ALA A 52 -3.165 9.024 21.428 1.00 51.74 N ATOM 299 CA ALA A 52 -4.439 9.216 22.133 1.00 51.48 C ATOM 300 C ALA A 52 -5.223 7.907 22.339 1.00 51.78 C ATOM 301 O ALA A 52 -5.707 7.641 23.436 1.00 51.88 O ATOM 302 CB ALA A 52 -5.279 10.207 21.393 1.00 51.09 C ATOM 303 N SER A 53 -5.336 7.094 21.285 1.00 51.69 N ATOM 304 CA SER A 53 -5.998 5.803 21.376 1.00 51.69 C ATOM 305 C SER A 53 -5.288 4.890 22.385 1.00 51.62 C ATOM 306 O SER A 53 -5.941 4.291 23.239 1.00 51.05 O ATOM 307 CB SER A 53 -6.103 5.148 19.990 1.00 52.02 C ATOM 308 OG SER A 53 -6.436 3.763 20.067 1.00 51.62 O ATOM 309 N ASP A 54 -3.958 4.811 22.288 1.00 51.54 N ATOM 310 CA ASP A 54 -3.141 4.041 23.235 1.00 51.72 C ATOM 311 C ASP A 54 -3.413 4.448 24.684 1.00 51.87 C ATOM 312 O ASP A 54 -3.686 3.600 25.532 1.00 51.48 O ATOM 313 CB ASP A 54 -1.643 4.154 22.893 1.00 51.36 C ATOM 314 CG ASP A 54 -1.284 3.461 21.578 1.00 52.09 C ATOM 315 OD1 ASP A 54 -2.091 2.636 21.102 1.00 48.86 O ATOM 316 OD2 ASP A 54 -0.221 3.692 20.939 1.00 53.40 O ATOM 317 N ALA A 55 -3.355 5.758 24.946 1.00 52.50 N ATOM 318 CA ALA A 55 -3.681 6.332 26.255 1.00 52.66 C ATOM 319 C ALA A 55 -5.091 5.960 26.738 1.00 53.18 C ATOM 320 O ALA A 55 -5.309 5.740 27.943 1.00 52.77 O ATOM 321 CB ALA A 55 -3.539 7.820 26.205 1.00 52.05 C ATOM 322 N LEU A 56 -6.043 5.917 25.803 1.00 53.60 N ATOM 323 CA LEU A 56 -7.417 5.544 26.135 1.00 54.42 C ATOM 324 C LEU A 56 -7.541 4.031 26.412 1.00 54.96 C ATOM 325 O LEU A 56 -8.242 3.632 27.342 1.00 55.25 O ATOM 326 CB LEU A 56 -8.391 6.025 25.053 1.00 54.27 C ATOM 327 CG LEU A 56 -8.672 7.538 25.051 1.00 54.21 C ATOM 328 CD1 LEU A 56 -9.057 8.010 23.681 1.00 53.09 C ATOM 329 CD2 LEU A 56 -9.752 7.894 26.049 1.00 54.03 C ATOM 330 N ASP A 57 -6.842 3.210 25.619 1.00 55.36 N ATOM 331 CA ASP A 57 -6.729 1.774 25.870 1.00 56.08 C ATOM 332 C ASP A 57 -6.206 1.517 27.275 1.00 56.67 C ATOM 333 O ASP A 57 -6.692 0.632 27.959 1.00 57.29 O ATOM 334 CB ASP A 57 -5.763 1.107 24.884 1.00 56.13 C ATOM 335 CG ASP A 57 -6.345 0.932 23.497 1.00 55.71 C ATOM 336 OD1 ASP A 57 -7.558 1.105 23.323 1.00 55.49 O ATOM 337 OD2 ASP A 57 -5.645 0.611 22.512 1.00 55.44 O ATOM 338 N LYS A 58 -5.215 2.300 27.692 1.00 57.41 N ATOM 339 CA LYS A 58 -4.535 2.104 28.970 1.00 57.86 C ATOM 340 C LYS A 58 -5.390 2.378 30.195 1.00 57.96 C ATOM 341 O LYS A 58 -5.358 1.609 31.150 1.00 58.31 O ATOM 342 CB LYS A 58 -3.249 2.922 29.027 1.00 57.82 C ATOM 343 CG LYS A 58 -2.169 2.235 29.810 1.00 58.94 C ATOM 344 CD LYS A 58 -0.836 2.956 29.737 1.00 60.53 C ATOM 345 CE LYS A 58 -0.061 2.737 31.031 1.00 60.74 C ATOM 346 NZ LYS A 58 1.367 3.092 30.841 1.00 62.84 N ATOM 347 N ILE A 59 -6.148 3.470 30.178 1.00 58.45 N ATOM 348 CA ILE A 59 -7.028 3.795 31.305 1.00 58.38 C ATOM 349 C ILE A 59 -8.258 2.888 31.330 1.00 58.60 C ATOM 350 O ILE A 59 -8.762 2.568 32.403 1.00 58.46 O ATOM 351 CB ILE A 59 -7.407 5.325 31.349 1.00 57.95 C ATOM 352 CG1 ILE A 59 -8.197 5.670 32.623 1.00 57.86 C ATOM 353 CG2 ILE A 59 -8.204 5.733 30.149 1.00 58.04 C ATOM 354 CD1 ILE A 59 -7.331 5.790 33.891 1.00 57.88 C ATOM 355 N ARG A 60 -8.725 2.472 30.151 1.00 58.98 N ATOM 356 CA ARG A 60 -9.817 1.497 30.052 1.00 59.56 C ATOM 357 C ARG A 60 -9.413 0.175 30.679 1.00 59.63 C ATOM 358 O ARG A 60 -10.167 -0.386 31.475 1.00 59.58 O ATOM 359 CB ARG A 60 -10.247 1.272 28.596 1.00 59.70 C ATOM 360 CG ARG A 60 -11.691 0.777 28.439 1.00 60.59 C ATOM 361 CD ARG A 60 -12.113 0.478 26.998 1.00 61.64 C ATOM 362 NE ARG A 60 -11.014 -0.045 26.178 1.00 63.72 N ATOM 363 CZ ARG A 60 -11.106 -0.333 24.874 1.00 65.54 C ATOM 364 NH1 ARG A 60 -12.251 -0.155 24.215 1.00 65.97 N ATOM 365 NH2 ARG A 60 -10.048 -0.803 24.224 1.00 64.88 N ATOM 366 N TYR A 61 -8.223 -0.315 30.329 1.00 59.76 N ATOM 367 CA TYR A 61 -7.737 -1.581 30.877 1.00 60.17 C ATOM 368 C TYR A 61 -7.528 -1.530 32.399 1.00 60.93 C ATOM 369 O TYR A 61 -7.960 -2.437 33.121 1.00 60.88 O ATOM 370 CB TYR A 61 -6.465 -2.048 30.168 1.00 59.73 C ATOM 371 CG TYR A 61 -5.831 -3.267 30.804 1.00 58.12 C ATOM 372 CD1 TYR A 61 -6.298 -4.539 30.521 1.00 55.72 C ATOM 373 CD2 TYR A 61 -4.773 -3.137 31.707 1.00 56.83 C ATOM 374 CE1 TYR A 61 -5.725 -5.652 31.096 1.00 55.79 C ATOM 375 CE2 TYR A 61 -4.196 -4.245 32.296 1.00 55.33 C ATOM 376 CZ TYR A 61 -4.677 -5.504 31.984 1.00 56.10 C ATOM 377 OH TYR A 61 -4.113 -6.623 32.562 1.00 55.55 O ATOM 378 N GLU A 62 -6.889 -0.466 32.879 1.00 61.66 N ATOM 379 CA GLU A 62 -6.639 -0.306 34.309 1.00 63.05 C ATOM 380 C GLU A 62 -7.905 -0.245 35.163 1.00 63.44 C ATOM 381 O GLU A 62 -7.880 -0.630 36.333 1.00 63.66 O ATOM 382 CB GLU A 62 -5.765 0.923 34.578 1.00 63.39 C ATOM 383 CG GLU A 62 -4.290 0.701 34.277 1.00 64.43 C ATOM 384 CD GLU A 62 -3.401 1.869 34.681 1.00 66.32 C ATOM 385 OE1 GLU A 62 -3.870 2.786 35.386 1.00 65.61 O ATOM 386 OE2 GLU A 62 -2.210 1.863 34.290 1.00 68.39 O ATOM 387 N SER A 63 -9.006 0.217 34.574 1.00 64.09 N ATOM 388 CA SER A 63 -10.247 0.442 35.316 1.00 64.70 C ATOM 389 C SER A 63 -11.138 -0.781 35.480 1.00 65.30 C ATOM 390 O SER A 63 -12.176 -0.698 36.135 1.00 65.42 O ATOM 391 CB SER A 63 -11.059 1.586 34.693 1.00 64.72 C ATOM 392 OG SER A 63 -11.387 1.267 33.339 1.00 63.74 O ATOM 393 N LEU A 64 -10.742 -1.906 34.891 1.00 65.70 N ATOM 394 CA LEU A 64 -11.470 -3.157 35.088 1.00 66.19 C ATOM 395 C LEU A 64 -11.141 -3.748 36.447 1.00 66.29 C ATOM 396 O LEU A 64 -11.951 -4.478 37.010 1.00 66.40 O ATOM 397 CB LEU A 64 -11.170 -4.170 33.977 1.00 66.33 C ATOM 398 CG LEU A 64 -11.182 -3.663 32.534 1.00 67.16 C ATOM 399 CD1 LEU A 64 -10.578 -4.702 31.614 1.00 68.67 C ATOM 400 CD2 LEU A 64 -12.596 -3.288 32.085 1.00 67.65 C ATOM 401 N THR A 65 -9.961 -3.406 36.969 1.00 66.70 N ATOM 402 CA THR A 65 -9.492 -3.873 38.278 1.00 67.07 C ATOM 403 C THR A 65 -9.449 -2.749 39.309 1.00 67.26 C ATOM 404 O THR A 65 -9.176 -2.986 40.486 1.00 67.17 O ATOM 405 CB THR A 65 -8.087 -4.521 38.173 1.00 66.96 C ATOM 406 OG1 THR A 65 -7.183 -3.597 37.572 1.00 67.39 O ATOM 407 CG2 THR A 65 -8.082 -5.694 37.207 1.00 66.77 C ATOM 408 N ASP A 66 -9.693 -1.525 38.853 1.00 67.85 N ATOM 409 CA ASP A 66 -9.743 -0.349 39.719 1.00 68.32 C ATOM 410 C ASP A 66 -10.695 0.677 39.096 1.00 68.32 C ATOM 411 O ASP A 66 -10.245 1.619 38.445 1.00 68.65 O ATOM 412 CB ASP A 66 -8.339 0.246 39.898 1.00 68.52 C ATOM 413 CG ASP A 66 -8.276 1.315 40.991 1.00 69.86 C ATOM 414 OD1 ASP A 66 -9.343 1.782 41.452 1.00 71.49 O ATOM 415 OD2 ASP A 66 -7.193 1.760 41.443 1.00 70.00 O ATOM 416 N PRO A 67 -12.005 0.490 39.274 1.00 68.15 N ATOM 417 CA PRO A 67 -13.004 1.361 38.638 1.00 67.94 C ATOM 418 C PRO A 67 -13.009 2.804 39.164 1.00 67.63 C ATOM 419 O PRO A 67 -13.659 3.662 38.560 1.00 67.62 O ATOM 420 CB PRO A 67 -14.330 0.650 38.942 1.00 67.92 C ATOM 421 CG PRO A 67 -13.925 -0.741 39.304 1.00 68.16 C ATOM 422 CD PRO A 67 -12.648 -0.570 40.070 1.00 68.19 C ATOM 423 N SER A 68 -12.283 3.058 40.252 1.00 67.33 N ATOM 424 CA SER A 68 -12.117 4.404 40.796 1.00 66.90 C ATOM 425 C SER A 68 -11.197 5.245 39.915 1.00 66.86 C ATOM 426 O SER A 68 -11.064 6.458 40.131 1.00 66.94 O ATOM 427 CB SER A 68 -11.567 4.353 42.225 1.00 66.92 C ATOM 428 OG SER A 68 -10.150 4.435 42.245 1.00 66.83 O ATOM 429 N LYS A 69 -10.558 4.599 38.935 1.00 66.26 N ATOM 430 CA LYS A 69 -9.671 5.295 38.003 1.00 65.72 C ATOM 431 C LYS A 69 -10.419 6.168 36.995 1.00 65.54 C ATOM 432 O LYS A 69 -9.800 6.949 36.272 1.00 65.50 O ATOM 433 CB LYS A 69 -8.727 4.317 37.302 1.00 65.55 C ATOM 434 CG LYS A 69 -7.440 4.106 38.083 1.00 64.74 C ATOM 435 CD LYS A 69 -6.609 2.958 37.583 1.00 62.64 C ATOM 436 CE LYS A 69 -5.296 2.948 38.340 1.00 62.40 C ATOM 437 NZ LYS A 69 -4.682 1.614 38.375 1.00 62.81 N ATOM 438 N LEU A 70 -11.747 6.040 36.976 1.00 65.19 N ATOM 439 CA LEU A 70 -12.609 6.826 36.095 1.00 65.05 C ATOM 440 C LEU A 70 -13.373 7.920 36.851 1.00 65.24 C ATOM 441 O LEU A 70 -14.194 8.632 36.266 1.00 65.17 O ATOM 442 CB LEU A 70 -13.600 5.920 35.355 1.00 64.66 C ATOM 443 CG LEU A 70 -13.111 4.903 34.317 1.00 64.29 C ATOM 444 CD1 LEU A 70 -14.292 4.266 33.588 1.00 62.29 C ATOM 445 CD2 LEU A 70 -12.112 5.510 33.320 1.00 63.61 C ATOM 446 N ASP A 71 -13.104 8.049 38.148 1.00 65.25 N ATOM 447 CA ASP A 71 -13.761 9.062 38.963 1.00 65.52 C ATOM 448 C ASP A 71 -13.461 10.473 38.442 1.00 65.29 C ATOM 449 O ASP A 71 -14.233 11.407 38.679 1.00 65.46 O ATOM 450 CB ASP A 71 -13.358 8.917 40.439 1.00 65.65 C ATOM 451 CG ASP A 71 -14.040 7.739 41.127 1.00 66.69 C ATOM 452 OD1 ASP A 71 -15.119 7.293 40.674 1.00 65.03 O ATOM 453 OD2 ASP A 71 -13.560 7.192 42.147 1.00 69.57 O ATOM 454 N SER A 72 -12.343 10.597 37.725 1.00 64.80 N ATOM 455 CA SER A 72 -11.918 11.832 37.067 1.00 63.96 C ATOM 456 C SER A 72 -12.488 12.002 35.653 1.00 64.03 C ATOM 457 O SER A 72 -12.032 12.867 34.898 1.00 64.32 O ATOM 458 CB SER A 72 -10.394 11.869 36.997 1.00 63.71 C ATOM 459 OG SER A 72 -9.874 10.659 36.487 1.00 62.76 O ATOM 460 N GLY A 73 -13.467 11.172 35.288 1.00 63.56 N ATOM 461 CA GLY A 73 -14.070 11.218 33.962 1.00 63.02 C ATOM 462 C GLY A 73 -14.395 9.842 33.401 1.00 62.50 C ATOM 463 O GLY A 73 -13.508 8.998 33.278 1.00 62.18 O ATOM 464 N LYS A 74 -15.668 9.621 33.068 1.00 62.06 N ATOM 465 CA LYS A 74 -16.129 8.343 32.513 1.00 61.56 C ATOM 466 C LYS A 74 -16.004 8.256 30.986 1.00 60.23 C ATOM 467 O LYS A 74 -15.710 7.176 30.454 1.00 59.78 O ATOM 468 CB LYS A 74 -17.574 8.035 32.939 1.00 62.26 C ATOM 469 CG LYS A 74 -17.756 7.766 34.434 1.00 65.28 C ATOM 470 CD LYS A 74 -17.971 6.283 34.742 1.00 68.86 C ATOM 471 CE LYS A 74 -18.556 6.083 36.148 1.00 71.16 C ATOM 472 NZ LYS A 74 -17.568 6.372 37.244 1.00 73.39 N ATOM 473 N GLU A 75 -16.225 9.377 30.293 1.00 58.31 N ATOM 474 CA GLU A 75 -16.162 9.400 28.831 1.00 57.47 C ATOM 475 C GLU A 75 -14.755 9.127 28.302 1.00 56.24 C ATOM 476 O GLU A 75 -13.788 9.758 28.719 1.00 56.34 O ATOM 477 CB GLU A 75 -16.694 10.725 28.266 1.00 57.96 C ATOM 478 CG GLU A 75 -17.977 10.586 27.457 1.00 59.91 C ATOM 479 CD GLU A 75 -17.968 11.401 26.169 1.00 63.49 C ATOM 480 OE1 GLU A 75 -18.240 12.627 26.259 1.00 64.77 O ATOM 481 OE2 GLU A 75 -17.693 10.817 25.077 1.00 61.74 O ATOM 482 N LEU A 76 -14.655 8.170 27.389 1.00 54.60 N ATOM 483 CA LEU A 76 -13.404 7.850 26.727 1.00 52.79 C ATOM 484 C LEU A 76 -13.517 8.321 25.288 1.00 52.12 C ATOM 485 O LEU A 76 -14.224 7.705 24.474 1.00 52.00 O ATOM 486 CB LEU A 76 -13.119 6.340 26.818 1.00 52.99 C ATOM 487 CG LEU A 76 -12.943 5.734 28.225 1.00 52.25 C ATOM 488 CD1 LEU A 76 -12.791 4.257 28.164 1.00 50.67 C ATOM 489 CD2 LEU A 76 -11.739 6.327 28.951 1.00 54.04 C ATOM 490 N LYS A 77 -12.835 9.424 24.972 1.00 51.16 N ATOM 491 CA LYS A 77 -13.048 10.113 23.689 1.00 50.04 C ATOM 492 C LYS A 77 -11.852 10.910 23.188 1.00 49.49 C ATOM 493 O LYS A 77 -10.879 11.127 23.916 1.00 48.44 O ATOM 494 CB LYS A 77 -14.278 11.026 23.776 1.00 49.99 C ATOM 495 CG LYS A 77 -14.177 12.092 24.877 1.00 49.96 C ATOM 496 CD LYS A 77 -14.905 13.349 24.492 1.00 49.50 C ATOM 497 CE LYS A 77 -14.657 14.461 25.499 1.00 50.62 C ATOM 498 NZ LYS A 77 -15.489 15.686 25.221 1.00 49.31 N ATOM 499 N ILE A 78 -11.948 11.335 21.926 1.00 49.26 N ATOM 500 CA ILE A 78 -10.949 12.195 21.287 1.00 49.65 C ATOM 501 C ILE A 78 -11.678 13.314 20.584 1.00 50.08 C ATOM 502 O ILE A 78 -12.626 13.057 19.839 1.00 49.80 O ATOM 503 CB ILE A 78 -10.067 11.420 20.235 1.00 49.76 C ATOM 504 CG1 ILE A 78 -9.406 10.171 20.846 1.00 49.04 C ATOM 505 CG2 ILE A 78 -9.031 12.357 19.611 1.00 48.34 C ATOM 506 CD1 ILE A 78 -8.828 9.190 19.801 1.00 49.37 C ATOM 507 N ASP A 79 -11.233 14.548 20.820 1.00 50.51 N ATOM 508 CA ASP A 79 -11.768 15.728 20.128 1.00 50.71 C ATOM 509 C ASP A 79 -10.680 16.384 19.267 1.00 51.11 C ATOM 510 O ASP A 79 -9.559 16.597 19.728 1.00 50.37 O ATOM 511 CB ASP A 79 -12.326 16.748 21.139 1.00 50.03 C ATOM 512 CG ASP A 79 -13.663 16.303 21.781 1.00 50.25 C ATOM 513 OD1 ASP A 79 -14.354 15.411 21.250 1.00 50.59 O ATOM 514 OD2 ASP A 79 -14.116 16.803 22.823 1.00 46.96 O ATOM 515 N ILE A 80 -11.002 16.699 18.014 1.00 52.10 N ATOM 516 CA ILE A 80 -10.080 17.488 17.188 1.00 52.56 C ATOM 517 C ILE A 80 -10.664 18.865 16.867 1.00 53.20 C ATOM 518 O ILE A 80 -11.663 18.976 16.161 1.00 52.95 O ATOM 519 CB ILE A 80 -9.628 16.730 15.912 1.00 52.46 C ATOM 520 CG1 ILE A 80 -9.129 15.325 16.273 1.00 52.61 C ATOM 521 CG2 ILE A 80 -8.535 17.530 15.192 1.00 52.44 C ATOM 522 CD1 ILE A 80 -8.716 14.462 15.090 1.00 52.82 C ATOM 523 N ILE A 81 -10.012 19.906 17.390 1.00 54.22 N ATOM 524 CA ILE A 81 -10.554 21.263 17.370 1.00 55.19 C ATOM 525 C ILE A 81 -9.652 22.246 16.625 1.00 56.60 C ATOM 526 O ILE A 81 -8.600 22.630 17.140 1.00 56.88 O ATOM 527 CB ILE A 81 -10.798 21.775 18.813 1.00 54.92 C ATOM 528 CG1 ILE A 81 -11.579 20.737 19.642 1.00 53.95 C ATOM 529 CG2 ILE A 81 -11.491 23.151 18.778 1.00 53.60 C ATOM 530 CD1 ILE A 81 -11.409 20.874 21.142 1.00 51.10 C ATOM 531 N PRO A 82 -10.056 22.648 15.419 1.00 57.82 N ATOM 532 CA PRO A 82 -9.357 23.705 14.678 1.00 58.43 C ATOM 533 C PRO A 82 -9.777 25.109 15.116 1.00 59.49 C ATOM 534 O PRO A 82 -10.931 25.334 15.493 1.00 59.26 O ATOM 535 CB PRO A 82 -9.783 23.456 13.230 1.00 58.45 C ATOM 536 CG PRO A 82 -11.123 22.808 13.313 1.00 58.16 C ATOM 537 CD PRO A 82 -11.186 22.088 14.648 1.00 58.16 C ATOM 538 N ASN A 83 -8.829 26.038 15.060 1.00 60.88 N ATOM 539 CA ASN A 83 -9.064 27.430 15.405 1.00 62.59 C ATOM 540 C ASN A 83 -8.217 28.338 14.512 1.00 63.70 C ATOM 541 O ASN A 83 -7.072 28.635 14.833 1.00 63.64 O ATOM 542 CB ASN A 83 -8.769 27.669 16.889 1.00 62.72 C ATOM 543 CG ASN A 83 -9.302 29.001 17.394 1.00 63.53 C ATOM 544 OD1 ASN A 83 -9.261 30.009 16.699 1.00 64.70 O ATOM 545 ND2 ASN A 83 -9.783 29.009 18.624 1.00 64.80 N ATOM 546 N PRO A 84 -8.781 28.748 13.375 1.00 65.12 N ATOM 547 CA PRO A 84 -8.066 29.558 12.370 1.00 65.91 C ATOM 548 C PRO A 84 -7.447 30.875 12.852 1.00 66.65 C ATOM 549 O PRO A 84 -6.410 31.272 12.327 1.00 66.81 O ATOM 550 CB PRO A 84 -9.149 29.841 11.321 1.00 66.13 C ATOM 551 CG PRO A 84 -10.109 28.679 11.461 1.00 65.90 C ATOM 552 CD PRO A 84 -10.156 28.417 12.942 1.00 65.25 C ATOM 553 N GLN A 85 -8.051 31.536 13.830 1.00 67.59 N ATOM 554 CA GLN A 85 -7.556 32.843 14.244 1.00 68.54 C ATOM 555 C GLN A 85 -6.529 32.784 15.397 1.00 68.30 C ATOM 556 O GLN A 85 -5.718 33.710 15.563 1.00 68.36 O ATOM 557 CB GLN A 85 -8.717 33.815 14.533 1.00 69.15 C ATOM 558 CG GLN A 85 -9.710 34.033 13.350 1.00 71.81 C ATOM 559 CD GLN A 85 -9.085 34.714 12.113 1.00 75.18 C ATOM 560 OE1 GLN A 85 -8.579 34.039 11.202 1.00 74.74 O ATOM 561 NE2 GLN A 85 -9.149 36.048 12.073 1.00 76.05 N ATOM 562 N GLU A 86 -6.560 31.700 16.173 1.00 67.54 N ATOM 563 CA GLU A 86 -5.468 31.377 17.097 1.00 66.95 C ATOM 564 C GLU A 86 -4.355 30.626 16.360 1.00 65.39 C ATOM 565 O GLU A 86 -3.221 30.513 16.855 1.00 64.87 O ATOM 566 CB GLU A 86 -5.961 30.508 18.261 1.00 67.86 C ATOM 567 CG GLU A 86 -7.126 31.071 19.062 1.00 71.00 C ATOM 568 CD GLU A 86 -6.694 32.026 20.160 1.00 75.53 C ATOM 569 OE1 GLU A 86 -5.465 32.166 20.400 1.00 75.87 O ATOM 570 OE2 GLU A 86 -7.599 32.640 20.781 1.00 77.81 O ATOM 571 N ARG A 87 -4.709 30.098 15.187 1.00 63.57 N ATOM 572 CA ARG A 87 -3.831 29.261 14.368 1.00 62.20 C ATOM 573 C ARG A 87 -3.445 27.925 15.050 1.00 59.89 C ATOM 574 O ARG A 87 -2.318 27.446 14.933 1.00 59.03 O ATOM 575 CB ARG A 87 -2.590 30.052 13.951 1.00 62.95 C ATOM 576 CG ARG A 87 -2.421 30.205 12.467 1.00 66.17 C ATOM 577 CD ARG A 87 -1.632 31.449 12.077 1.00 71.11 C ATOM 578 NE ARG A 87 -1.436 31.557 10.631 1.00 74.32 N ATOM 579 CZ ARG A 87 -0.313 31.993 10.064 1.00 76.97 C ATOM 580 NH1 ARG A 87 0.720 32.361 10.814 1.00 77.37 N ATOM 581 NH2 ARG A 87 -0.219 32.059 8.743 1.00 78.43 N ATOM 582 N THR A 88 -4.397 27.321 15.747 1.00 57.65 N ATOM 583 CA THR A 88 -4.122 26.097 16.486 1.00 55.70 C ATOM 584 C THR A 88 -4.958 24.925 16.006 1.00 54.90 C ATOM 585 O THR A 88 -6.078 25.094 15.515 1.00 54.35 O ATOM 586 CB THR A 88 -4.351 26.285 18.008 1.00 55.64 C ATOM 587 OG1 THR A 88 -5.615 26.918 18.231 1.00 55.29 O ATOM 588 CG2 THR A 88 -3.330 27.223 18.634 1.00 54.19 C ATOM 589 N LEU A 89 -4.389 23.734 16.155 1.00 53.76 N ATOM 590 CA LEU A 89 -5.131 22.494 16.037 1.00 52.93 C ATOM 591 C LEU A 89 -4.950 21.722 17.337 1.00 52.88 C ATOM 592 O LEU A 89 -3.834 21.310 17.639 1.00 53.61 O ATOM 593 CB LEU A 89 -4.628 21.663 14.853 1.00 52.20 C ATOM 594 CG LEU A 89 -5.478 20.418 14.524 1.00 50.90 C ATOM 595 CD1 LEU A 89 -6.940 20.753 14.232 1.00 48.58 C ATOM 596 CD2 LEU A 89 -4.876 19.626 13.394 1.00 47.86 C ATOM 597 N THR A 90 -6.023 21.542 18.109 1.00 51.83 N ATOM 598 CA THR A 90 -5.940 20.782 19.350 1.00 51.44 C ATOM 599 C THR A 90 -6.498 19.358 19.245 1.00 51.40 C ATOM 600 O THR A 90 -7.583 19.136 18.705 1.00 50.55 O ATOM 601 CB THR A 90 -6.607 21.538 20.528 1.00 51.43 C ATOM 602 OG1 THR A 90 -6.168 22.901 20.552 1.00 51.82 O ATOM 603 CG2 THR A 90 -6.093 21.013 21.871 1.00 52.22 C ATOM 604 N LEU A 91 -5.727 18.397 19.760 1.00 51.58 N ATOM 605 CA LEU A 91 -6.205 17.034 19.964 1.00 51.72 C ATOM 606 C LEU A 91 -6.301 16.763 21.457 1.00 51.65 C ATOM 607 O LEU A 91 -5.272 16.687 22.159 1.00 51.13 O ATOM 608 CB LEU A 91 -5.302 15.985 19.318 1.00 51.75 C ATOM 609 CG LEU A 91 -4.714 15.931 17.894 1.00 53.80 C ATOM 610 CD1 LEU A 91 -5.411 14.844 17.049 1.00 54.19 C ATOM 611 CD2 LEU A 91 -4.622 17.268 17.155 1.00 55.21 C ATOM 612 N VAL A 92 -7.545 16.612 21.919 1.00 51.50 N ATOM 613 CA VAL A 92 -7.889 16.391 23.321 1.00 51.22 C ATOM 614 C VAL A 92 -8.333 14.943 23.477 1.00 51.22 C ATOM 615 O VAL A 92 -9.278 14.529 22.829 1.00 51.42 O ATOM 616 CB VAL A 92 -9.100 17.266 23.774 1.00 51.30 C ATOM 617 CG1 VAL A 92 -9.309 17.171 25.287 1.00 51.50 C ATOM 618 CG2 VAL A 92 -8.961 18.722 23.344 1.00 50.96 C ATOM 619 N ASP A 93 -7.667 14.189 24.346 1.00 51.14 N ATOM 620 CA ASP A 93 -8.129 12.856 24.739 1.00 50.59 C ATOM 621 C ASP A 93 -8.419 12.793 26.244 1.00 50.40 C ATOM 622 O ASP A 93 -7.926 13.633 27.004 1.00 50.07 O ATOM 623 CB ASP A 93 -7.145 11.760 24.285 1.00 49.77 C ATOM 624 CG ASP A 93 -5.863 11.717 25.110 1.00 50.36 C ATOM 625 OD1 ASP A 93 -5.915 11.348 26.310 1.00 50.27 O ATOM 626 OD2 ASP A 93 -4.738 12.006 24.634 1.00 48.50 O ATOM 627 N THR A 94 -9.237 11.821 26.660 1.00 50.07 N ATOM 628 CA THR A 94 -9.471 11.556 28.080 1.00 50.30 C ATOM 629 C THR A 94 -8.826 10.237 28.507 1.00 50.49 C ATOM 630 O THR A 94 -9.385 9.468 29.295 1.00 50.78 O ATOM 631 CB THR A 94 -10.995 11.588 28.435 1.00 50.48 C ATOM 632 OG1 THR A 94 -11.716 10.668 27.606 1.00 50.06 O ATOM 633 CG2 THR A 94 -11.620 12.935 28.071 1.00 50.71 C ATOM 634 N GLY A 95 -7.636 9.977 27.981 1.00 50.82 N ATOM 635 CA GLY A 95 -6.876 8.788 28.343 1.00 50.67 C ATOM 636 C GLY A 95 -6.177 8.892 29.690 1.00 50.16 C ATOM 637 O GLY A 95 -6.524 9.714 30.543 1.00 49.82 O ATOM 638 N ILE A 96 -5.172 8.047 29.865 1.00 50.18 N ATOM 639 CA ILE A 96 -4.447 7.922 31.137 1.00 50.06 C ATOM 640 C ILE A 96 -3.686 9.206 31.525 1.00 49.55 C ATOM 641 O ILE A 96 -3.466 9.482 32.701 1.00 49.51 O ATOM 642 CB ILE A 96 -3.520 6.664 31.094 1.00 49.71 C ATOM 643 CG1 ILE A 96 -2.947 6.335 32.475 1.00 50.52 C ATOM 644 CG2 ILE A 96 -2.417 6.821 30.051 1.00 50.41 C ATOM 645 CD1 ILE A 96 -3.046 4.847 32.851 1.00 50.90 C ATOM 646 N GLY A 97 -3.328 10.007 30.533 1.00 49.15 N ATOM 647 CA GLY A 97 -2.557 11.200 30.793 1.00 49.92 C ATOM 648 C GLY A 97 -1.103 10.886 31.121 1.00 49.87 C ATOM 649 O GLY A 97 -0.668 9.739 31.037 1.00 50.01 O ATOM 650 N MET A 98 -0.361 11.922 31.503 1.00 50.27 N ATOM 651 CA MET A 98 1.085 11.829 31.722 1.00 50.10 C ATOM 652 C MET A 98 1.497 12.554 32.998 1.00 50.42 C ATOM 653 O MET A 98 1.045 13.660 33.266 1.00 51.09 O ATOM 654 CB MET A 98 1.810 12.436 30.539 1.00 49.60 C ATOM 655 CG MET A 98 1.873 11.538 29.331 1.00 48.42 C ATOM 656 SD MET A 98 2.523 12.383 27.896 1.00 47.60 S ATOM 657 CE MET A 98 1.035 13.291 27.419 1.00 44.94 C ATOM 658 N THR A 99 2.347 11.919 33.793 1.00 50.64 N ATOM 659 CA THR A 99 2.905 12.541 34.998 1.00 50.59 C ATOM 660 C THR A 99 4.034 13.559 34.693 1.00 51.07 C ATOM 661 O THR A 99 4.494 13.669 33.554 1.00 51.16 O ATOM 662 CB THR A 99 3.431 11.455 35.939 1.00 50.32 C ATOM 663 OG1 THR A 99 4.443 10.694 35.271 1.00 49.78 O ATOM 664 CG2 THR A 99 2.346 10.431 36.249 1.00 49.44 C ATOM 665 N LYS A 100 4.453 14.305 35.717 1.00 51.44 N ATOM 666 CA LYS A 100 5.655 15.145 35.673 1.00 52.14 C ATOM 667 C LYS A 100 6.897 14.334 35.288 1.00 52.08 C ATOM 668 O LYS A 100 7.720 14.793 34.488 1.00 52.24 O ATOM 669 CB LYS A 100 5.886 15.806 37.040 1.00 52.41 C ATOM 670 CG LYS A 100 7.133 16.680 37.134 1.00 54.04 C ATOM 671 CD LYS A 100 7.067 17.605 38.340 1.00 56.44 C ATOM 672 CE LYS A 100 8.296 18.506 38.444 1.00 58.50 C ATOM 673 NZ LYS A 100 8.692 18.793 39.889 1.00 58.91 N ATOM 674 N ALA A 101 7.020 13.133 35.855 1.00 51.73 N ATOM 675 CA ALA A 101 8.137 12.241 35.557 1.00 52.08 C ATOM 676 C ALA A 101 8.210 11.788 34.085 1.00 52.23 C ATOM 677 O ALA A 101 9.301 11.663 33.535 1.00 52.10 O ATOM 678 CB ALA A 101 8.124 11.042 36.490 1.00 51.93 C ATOM 679 N ASP A 102 7.059 11.546 33.456 1.00 52.28 N ATOM 680 CA ASP A 102 7.019 11.172 32.046 1.00 52.43 C ATOM 681 C ASP A 102 7.594 12.313 31.217 1.00 52.94 C ATOM 682 O ASP A 102 8.498 12.104 30.391 1.00 53.12 O ATOM 683 CB ASP A 102 5.580 10.890 31.579 1.00 52.74 C ATOM 684 CG ASP A 102 4.998 9.596 32.145 1.00 51.71 C ATOM 685 OD1 ASP A 102 5.758 8.646 32.436 1.00 51.73 O ATOM 686 OD2 ASP A 102 3.769 9.443 32.313 1.00 49.68 O ATOM 687 N LEU A 103 7.074 13.520 31.458 1.00 53.21 N ATOM 688 CA LEU A 103 7.412 14.712 30.671 1.00 53.63 C ATOM 689 C LEU A 103 8.914 15.036 30.689 1.00 53.95 C ATOM 690 O LEU A 103 9.497 15.350 29.640 1.00 53.75 O ATOM 691 CB LEU A 103 6.569 15.917 31.111 1.00 53.44 C ATOM 692 CG LEU A 103 5.049 15.758 30.903 1.00 53.95 C ATOM 693 CD1 LEU A 103 4.213 16.764 31.701 1.00 51.76 C ATOM 694 CD2 LEU A 103 4.693 15.814 29.414 1.00 54.73 C ATOM 695 N ILE A 104 9.524 14.908 31.870 1.00 54.14 N ATOM 696 CA ILE A 104 10.922 15.261 32.096 1.00 54.83 C ATOM 697 C ILE A 104 11.916 14.115 31.848 1.00 55.39 C ATOM 698 O ILE A 104 12.915 14.320 31.164 1.00 55.84 O ATOM 699 CB ILE A 104 11.105 15.876 33.524 1.00 55.09 C ATOM 700 CG1 ILE A 104 10.254 17.158 33.653 1.00 55.48 C ATOM 701 CG2 ILE A 104 12.582 16.181 33.809 1.00 53.75 C ATOM 702 CD1 ILE A 104 10.024 17.642 35.068 1.00 56.05 C ATOM 703 N ASN A 105 11.643 12.925 32.393 1.00 55.46 N ATOM 704 CA ASN A 105 12.590 11.806 32.363 1.00 55.71 C ATOM 705 C ASN A 105 12.130 10.556 31.587 1.00 55.90 C ATOM 706 O ASN A 105 12.783 10.130 30.631 1.00 55.95 O ATOM 707 CB ASN A 105 12.957 11.381 33.793 1.00 55.61 C ATOM 708 CG ASN A 105 13.642 12.487 34.593 1.00 57.04 C ATOM 709 OD1 ASN A 105 14.625 13.080 34.146 1.00 56.06 O ATOM 710 ND2 ASN A 105 13.130 12.753 35.797 1.00 57.49 N ATOM 711 N ASN A 106 11.010 9.972 32.013 1.00 55.83 N ATOM 712 CA ASN A 106 10.611 8.638 31.581 1.00 56.09 C ATOM 713 C ASN A 106 10.409 8.494 30.073 1.00 55.88 C ATOM 714 O ASN A 106 10.870 7.530 29.474 1.00 56.01 O ATOM 715 CB ASN A 106 9.350 8.183 32.326 1.00 56.14 C ATOM 716 CG ASN A 106 9.584 7.947 33.823 1.00 57.05 C ATOM 717 OD1 ASN A 106 10.724 7.876 34.302 1.00 56.86 O ATOM 718 ND2 ASN A 106 8.483 7.816 34.570 1.00 58.58 N ATOM 719 N LEU A 107 9.730 9.457 29.465 1.00 55.66 N ATOM 720 CA LEU A 107 9.362 9.349 28.064 1.00 55.46 C ATOM 721 C LEU A 107 10.581 9.500 27.158 1.00 55.79 C ATOM 722 O LEU A 107 10.708 8.793 26.175 1.00 55.60 O ATOM 723 CB LEU A 107 8.217 10.313 27.706 1.00 54.94 C ATOM 724 CG LEU A 107 6.818 9.966 28.254 1.00 53.87 C ATOM 725 CD1 LEU A 107 5.749 10.916 27.760 1.00 52.45 C ATOM 726 CD2 LEU A 107 6.389 8.545 27.984 1.00 51.96 C ATOM 727 N GLY A 108 11.487 10.403 27.523 1.00 56.65 N ATOM 728 CA GLY A 108 12.739 10.596 26.808 1.00 57.20 C ATOM 729 C GLY A 108 13.692 9.419 26.903 1.00 57.45 C ATOM 730 O GLY A 108 14.505 9.217 26.014 1.00 57.89 O ATOM 731 N THR A 109 13.592 8.650 27.983 1.00 58.15 N ATOM 732 CA THR A 109 14.417 7.461 28.212 1.00 58.47 C ATOM 733 C THR A 109 14.065 6.356 27.212 1.00 59.05 C ATOM 734 O THR A 109 14.943 5.807 26.543 1.00 59.31 O ATOM 735 CB THR A 109 14.250 6.965 29.683 1.00 58.47 C ATOM 736 OG1 THR A 109 14.742 7.967 30.591 1.00 58.15 O ATOM 737 CG2 THR A 109 15.143 5.743 29.975 1.00 57.81 C ATOM 738 N ILE A 110 12.774 6.042 27.127 1.00 59.57 N ATOM 739 CA ILE A 110 12.224 5.137 26.125 1.00 59.62 C ATOM 740 C ILE A 110 12.509 5.641 24.702 1.00 60.09 C ATOM 741 O ILE A 110 12.983 4.875 23.849 1.00 60.68 O ATOM 742 CB ILE A 110 10.694 4.982 26.360 1.00 59.79 C ATOM 743 CG1 ILE A 110 10.389 4.615 27.827 1.00 59.29 C ATOM 744 CG2 ILE A 110 10.042 4.029 25.332 1.00 59.41 C ATOM 745 CD1 ILE A 110 10.863 3.250 28.268 1.00 61.24 C ATOM 746 N ALA A 111 12.233 6.923 24.448 1.00 59.95 N ATOM 747 CA ALA A 111 12.429 7.525 23.126 1.00 59.78 C ATOM 748 C ALA A 111 13.867 7.443 22.585 1.00 60.38 C ATOM 749 O ALA A 111 14.073 7.547 21.372 1.00 60.59 O ATOM 750 CB ALA A 111 11.969 8.955 23.131 1.00 59.51 C ATOM 751 N LYS A 112 14.854 7.276 23.468 1.00 60.51 N ATOM 752 CA LYS A 112 16.257 7.299 23.058 1.00 61.02 C ATOM 753 C LYS A 112 16.558 6.235 22.003 1.00 60.68 C ATOM 754 O LYS A 112 16.978 6.561 20.902 1.00 60.52 O ATOM 755 CB LYS A 112 17.182 7.140 24.265 1.00 61.41 C ATOM 756 CG LYS A 112 18.410 8.057 24.246 1.00 64.13 C ATOM 757 CD LYS A 112 19.682 7.299 23.867 1.00 67.31 C ATOM 758 CE LYS A 112 20.598 7.083 25.074 1.00 69.48 C ATOM 759 NZ LYS A 112 21.877 7.864 24.999 1.00 71.06 N ATOM 760 N SER A 113 16.317 4.974 22.354 1.00 60.61 N ATOM 761 CA SER A 113 16.503 3.834 21.469 1.00 60.69 C ATOM 762 C SER A 113 15.648 3.905 20.192 1.00 60.56 C ATOM 763 O SER A 113 16.096 3.516 19.109 1.00 60.39 O ATOM 764 CB SER A 113 16.233 2.524 22.239 1.00 61.01 C ATOM 765 OG SER A 113 14.893 2.448 22.714 1.00 61.52 O ATOM 766 N GLY A 114 14.425 4.402 20.328 1.00 60.47 N ATOM 767 CA GLY A 114 13.508 4.530 19.210 1.00 60.65 C ATOM 768 C GLY A 114 14.031 5.494 18.172 1.00 60.88 C ATOM 769 O GLY A 114 14.011 5.209 16.970 1.00 61.05 O ATOM 770 N THR A 115 14.497 6.641 18.655 1.00 60.93 N ATOM 771 CA THR A 115 15.156 7.657 17.841 1.00 60.79 C ATOM 772 C THR A 115 16.376 7.121 17.088 1.00 61.12 C ATOM 773 O THR A 115 16.612 7.513 15.953 1.00 61.45 O ATOM 774 CB THR A 115 15.575 8.844 18.734 1.00 60.58 C ATOM 775 OG1 THR A 115 14.494 9.195 19.601 1.00 59.84 O ATOM 776 CG2 THR A 115 15.798 10.097 17.917 1.00 59.99 C ATOM 777 N LYS A 116 17.149 6.240 17.715 1.00 61.54 N ATOM 778 CA LYS A 116 18.379 5.719 17.104 1.00 62.36 C ATOM 779 C LYS A 116 18.049 4.770 15.949 1.00 62.45 C ATOM 780 O LYS A 116 18.472 4.995 14.815 1.00 62.31 O ATOM 781 CB LYS A 116 19.255 5.039 18.163 1.00 62.63 C ATOM 782 CG LYS A 116 20.534 4.369 17.649 1.00 64.88 C ATOM 783 CD LYS A 116 21.177 3.498 18.753 1.00 67.30 C ATOM 784 CE LYS A 116 22.383 2.693 18.243 1.00 69.06 C ATOM 785 NZ LYS A 116 22.003 1.559 17.347 1.00 69.22 N ATOM 786 N ALA A 117 17.263 3.734 16.246 1.00 62.69 N ATOM 787 CA ALA A 117 16.741 2.819 15.235 1.00 62.87 C ATOM 788 C ALA A 117 16.071 3.544 14.060 1.00 63.33 C ATOM 789 O ALA A 117 16.292 3.174 12.913 1.00 63.80 O ATOM 790 CB ALA A 117 15.788 1.815 15.867 1.00 62.33 C ATOM 791 N PHE A 118 15.267 4.568 14.340 1.00 63.83 N ATOM 792 CA PHE A 118 14.597 5.336 13.287 1.00 64.73 C ATOM 793 C PHE A 118 15.598 6.053 12.366 1.00 65.68 C ATOM 794 O PHE A 118 15.503 5.958 11.131 1.00 64.78 O ATOM 795 CB PHE A 118 13.616 6.348 13.897 1.00 64.39 C ATOM 796 CG PHE A 118 12.917 7.223 12.888 1.00 63.18 C ATOM 797 CD1 PHE A 118 12.252 6.671 11.793 1.00 62.69 C ATOM 798 CD2 PHE A 118 12.904 8.604 13.047 1.00 62.73 C ATOM 799 CE1 PHE A 118 11.577 7.486 10.874 1.00 63.02 C ATOM 800 CE2 PHE A 118 12.233 9.432 12.132 1.00 62.99 C ATOM 801 CZ PHE A 118 11.568 8.872 11.044 1.00 62.23 C ATOM 802 N MET A 119 16.543 6.769 12.982 1.00 67.08 N ATOM 803 CA MET A 119 17.604 7.464 12.253 1.00 68.56 C ATOM 804 C MET A 119 18.328 6.489 11.330 1.00 69.30 C ATOM 805 O MET A 119 18.479 6.759 10.139 1.00 69.48 O ATOM 806 CB MET A 119 18.601 8.116 13.215 1.00 68.67 C ATOM 807 CG MET A 119 18.029 9.199 14.110 1.00 69.62 C ATOM 808 SD MET A 119 17.472 10.707 13.293 1.00 73.08 S ATOM 809 CE MET A 119 18.752 10.958 11.987 1.00 72.74 C ATOM 810 N GLU A 120 18.741 5.350 11.890 1.00 70.50 N ATOM 811 CA GLU A 120 19.419 4.289 11.144 1.00 71.62 C ATOM 812 C GLU A 120 18.564 3.808 9.969 1.00 71.97 C ATOM 813 O GLU A 120 19.094 3.470 8.911 1.00 71.76 O ATOM 814 CB GLU A 120 19.771 3.101 12.055 1.00 71.77 C ATOM 815 CG GLU A 120 20.460 3.478 13.360 1.00 73.65 C ATOM 816 CD GLU A 120 20.965 2.287 14.179 1.00 75.93 C ATOM 817 OE1 GLU A 120 20.216 1.296 14.381 1.00 76.36 O ATOM 818 OE2 GLU A 120 22.123 2.360 14.649 1.00 76.60 O ATOM 819 N ALA A 121 17.249 3.779 10.175 1.00 72.61 N ATOM 820 CA ALA A 121 16.295 3.376 9.146 1.00 73.23 C ATOM 821 C ALA A 121 16.092 4.433 8.057 1.00 73.56 C ATOM 822 O ALA A 121 15.857 4.079 6.916 1.00 73.62 O ATOM 823 CB ALA A 121 14.954 2.969 9.775 1.00 73.17 C ATOM 824 N LEU A 122 16.197 5.717 8.402 1.00 74.55 N ATOM 825 CA LEU A 122 16.117 6.802 7.408 1.00 75.27 C ATOM 826 C LEU A 122 17.323 6.781 6.483 1.00 75.99 C ATOM 827 O LEU A 122 17.163 6.688 5.272 1.00 76.42 O ATOM 828 CB LEU A 122 15.967 8.173 8.068 1.00 75.09 C ATOM 829 CG LEU A 122 14.644 8.465 8.779 1.00 74.89 C ATOM 830 CD1 LEU A 122 14.693 9.848 9.355 1.00 74.60 C ATOM 831 CD2 LEU A 122 13.451 8.311 7.845 1.00 74.64 C ATOM 832 N GLN A 123 18.524 6.880 7.055 1.00 76.81 N ATOM 833 CA GLN A 123 19.726 6.358 6.403 1.00 77.50 C ATOM 834 C GLN A 123 19.295 4.948 6.043 1.00 77.36 C ATOM 835 O GLN A 123 18.565 4.339 6.812 1.00 77.78 O ATOM 836 CB GLN A 123 20.895 6.272 7.395 1.00 77.74 C ATOM 837 CG GLN A 123 21.452 7.611 7.899 1.00 80.18 C ATOM 838 CD GLN A 123 22.069 7.515 9.303 1.00 82.65 C ATOM 839 OE1 GLN A 123 22.842 6.594 9.587 1.00 83.23 O ATOM 840 NE2 GLN A 123 21.727 8.468 10.175 1.00 82.63 N ATOM 841 N ALA A 124 19.701 4.423 4.894 1.00 76.86 N ATOM 842 CA ALA A 124 19.221 3.099 4.468 1.00 76.53 C ATOM 843 C ALA A 124 17.802 3.119 3.876 1.00 76.20 C ATOM 844 O ALA A 124 17.241 2.067 3.563 1.00 76.54 O ATOM 845 CB ALA A 124 19.324 2.061 5.610 1.00 76.43 C ATOM 846 N GLY A 125 17.223 4.309 3.744 1.00 75.55 N ATOM 847 CA GLY A 125 16.088 4.518 2.860 1.00 74.55 C ATOM 848 C GLY A 125 14.674 4.205 3.312 1.00 73.63 C ATOM 849 O GLY A 125 13.817 3.940 2.471 1.00 73.94 O ATOM 850 N ALA A 126 14.413 4.229 4.615 1.00 72.47 N ATOM 851 CA ALA A 126 13.037 4.332 5.095 1.00 71.18 C ATOM 852 C ALA A 126 12.626 5.801 5.017 1.00 70.58 C ATOM 853 O ALA A 126 13.477 6.692 4.891 1.00 70.67 O ATOM 854 CB ALA A 126 12.901 3.806 6.503 1.00 70.96 C ATOM 855 N ASP A 127 11.328 6.065 5.058 1.00 69.61 N ATOM 856 CA ASP A 127 10.876 7.448 4.987 1.00 68.80 C ATOM 857 C ASP A 127 10.234 7.906 6.305 1.00 67.76 C ATOM 858 O ASP A 127 10.078 7.120 7.239 1.00 67.64 O ATOM 859 CB ASP A 127 10.002 7.698 3.730 1.00 69.09 C ATOM 860 CG ASP A 127 8.543 7.341 3.933 1.00 69.21 C ATOM 861 OD1 ASP A 127 8.251 6.168 4.237 1.00 69.45 O ATOM 862 OD2 ASP A 127 7.618 8.171 3.807 1.00 69.72 O ATOM 863 N ILE A 128 9.897 9.187 6.376 1.00 66.71 N ATOM 864 CA ILE A 128 9.394 9.794 7.604 1.00 65.39 C ATOM 865 C ILE A 128 8.038 9.243 8.058 1.00 64.82 C ATOM 866 O ILE A 128 7.783 9.179 9.248 1.00 64.82 O ATOM 867 CB ILE A 128 9.421 11.354 7.496 1.00 65.03 C ATOM 868 CG1 ILE A 128 10.849 11.855 7.737 1.00 64.88 C ATOM 869 CG2 ILE A 128 8.464 12.021 8.487 1.00 64.21 C ATOM 870 CD1 ILE A 128 11.254 13.063 6.907 1.00 64.77 C ATOM 871 N SER A 129 7.189 8.812 7.126 1.00 64.37 N ATOM 872 CA SER A 129 5.868 8.273 7.486 1.00 63.89 C ATOM 873 C SER A 129 5.963 7.037 8.392 1.00 63.77 C ATOM 874 O SER A 129 5.012 6.697 9.109 1.00 63.62 O ATOM 875 CB SER A 129 5.037 7.969 6.237 1.00 64.02 C ATOM 876 OG SER A 129 5.676 7.024 5.394 1.00 63.49 O ATOM 877 N MET A 130 7.128 6.390 8.364 1.00 63.41 N ATOM 878 CA MET A 130 7.403 5.195 9.158 1.00 62.94 C ATOM 879 C MET A 130 7.778 5.507 10.620 1.00 61.98 C ATOM 880 O MET A 130 7.980 4.591 11.411 1.00 61.52 O ATOM 881 CB MET A 130 8.499 4.352 8.479 1.00 63.30 C ATOM 882 CG MET A 130 8.008 3.383 7.381 1.00 65.03 C ATOM 883 SD MET A 130 9.053 3.447 5.857 1.00 71.21 S ATOM 884 CE MET A 130 8.652 1.872 5.064 1.00 73.32 C ATOM 885 N ILE A 131 7.847 6.798 10.962 1.00 61.30 N ATOM 886 CA ILE A 131 8.226 7.298 12.303 1.00 60.79 C ATOM 887 C ILE A 131 7.552 6.592 13.498 1.00 60.49 C ATOM 888 O ILE A 131 8.161 6.438 14.558 1.00 60.10 O ATOM 889 CB ILE A 131 8.008 8.866 12.399 1.00 60.67 C ATOM 890 CG1 ILE A 131 8.475 9.424 13.752 1.00 60.35 C ATOM 891 CG2 ILE A 131 6.550 9.237 12.162 1.00 60.40 C ATOM 892 CD1 ILE A 131 8.948 10.870 13.710 1.00 60.07 C ATOM 893 N GLY A 132 6.302 6.174 13.316 1.00 60.38 N ATOM 894 CA GLY A 132 5.502 5.615 14.394 1.00 60.23 C ATOM 895 C GLY A 132 5.931 4.245 14.887 1.00 59.91 C ATOM 896 O GLY A 132 5.689 3.904 16.045 1.00 60.21 O ATOM 897 N GLN A 133 6.567 3.468 14.013 1.00 59.63 N ATOM 898 CA GLN A 133 7.058 2.122 14.341 1.00 59.40 C ATOM 899 C GLN A 133 8.253 2.119 15.302 1.00 58.81 C ATOM 900 O GLN A 133 8.744 1.057 15.692 1.00 58.61 O ATOM 901 CB GLN A 133 7.454 1.388 13.060 1.00 59.32 C ATOM 902 CG GLN A 133 6.299 0.700 12.360 1.00 60.44 C ATOM 903 CD GLN A 133 6.577 0.445 10.893 1.00 61.77 C ATOM 904 OE1 GLN A 133 6.974 -0.654 10.521 1.00 62.93 O ATOM 905 NE2 GLN A 133 6.380 1.458 10.063 1.00 61.00 N ATOM 906 N PHE A 134 8.720 3.310 15.670 1.00 58.02 N ATOM 907 CA PHE A 134 9.910 3.450 16.502 1.00 57.06 C ATOM 908 C PHE A 134 9.581 4.198 17.782 1.00 56.29 C ATOM 909 O PHE A 134 10.476 4.573 18.533 1.00 55.88 O ATOM 910 CB PHE A 134 11.016 4.166 15.726 1.00 57.20 C ATOM 911 CG PHE A 134 11.338 3.530 14.385 1.00 57.79 C ATOM 912 CD1 PHE A 134 12.307 2.530 14.284 1.00 58.26 C ATOM 913 CD2 PHE A 134 10.680 3.941 13.231 1.00 56.45 C ATOM 914 CE1 PHE A 134 12.607 1.955 13.057 1.00 58.55 C ATOM 915 CE2 PHE A 134 10.971 3.375 12.004 1.00 57.03 C ATOM 916 CZ PHE A 134 11.936 2.383 11.910 1.00 58.23 C ATOM 917 N GLY A 135 8.284 4.423 18.004 1.00 55.66 N ATOM 918 CA GLY A 135 7.774 5.050 19.220 1.00 54.57 C ATOM 919 C GLY A 135 8.064 6.535 19.374 1.00 53.65 C ATOM 920 O GLY A 135 7.968 7.073 20.474 1.00 53.59 O ATOM 921 N VAL A 136 8.426 7.197 18.278 1.00 52.65 N ATOM 922 CA VAL A 136 8.706 8.634 18.311 1.00 51.90 C ATOM 923 C VAL A 136 7.713 9.461 17.477 1.00 51.38 C ATOM 924 O VAL A 136 8.006 10.590 17.090 1.00 51.21 O ATOM 925 CB VAL A 136 10.182 8.965 17.954 1.00 51.75 C ATOM 926 CG1 VAL A 136 11.076 8.770 19.166 1.00 51.19 C ATOM 927 CG2 VAL A 136 10.687 8.126 16.785 1.00 51.60 C ATOM 928 N GLY A 137 6.524 8.898 17.253 1.00 50.84 N ATOM 929 CA GLY A 137 5.511 9.497 16.395 1.00 50.28 C ATOM 930 C GLY A 137 5.046 10.869 16.827 1.00 50.00 C ATOM 931 O GLY A 137 4.674 11.684 15.990 1.00 50.20 O ATOM 932 N PHE A 138 5.059 11.116 18.134 1.00 49.69 N ATOM 933 CA PHE A 138 4.764 12.425 18.705 1.00 49.44 C ATOM 934 C PHE A 138 5.497 13.539 17.958 1.00 49.65 C ATOM 935 O PHE A 138 4.901 14.526 17.571 1.00 49.35 O ATOM 936 CB PHE A 138 5.119 12.451 20.210 1.00 48.98 C ATOM 937 CG PHE A 138 4.958 13.810 20.861 1.00 48.09 C ATOM 938 CD1 PHE A 138 3.686 14.365 21.059 1.00 47.30 C ATOM 939 CD2 PHE A 138 6.075 14.539 21.262 1.00 47.64 C ATOM 940 CE1 PHE A 138 3.526 15.627 21.651 1.00 46.15 C ATOM 941 CE2 PHE A 138 5.932 15.790 21.853 1.00 47.27 C ATOM 942 CZ PHE A 138 4.647 16.335 22.053 1.00 47.31 C ATOM 943 N TYR A 139 6.790 13.354 17.732 1.00 50.47 N ATOM 944 CA TYR A 139 7.621 14.390 17.130 1.00 50.73 C ATOM 945 C TYR A 139 7.272 14.676 15.674 1.00 51.26 C ATOM 946 O TYR A 139 7.820 15.600 15.067 1.00 52.13 O ATOM 947 CB TYR A 139 9.108 14.048 17.303 1.00 50.61 C ATOM 948 CG TYR A 139 9.559 14.088 18.757 1.00 49.98 C ATOM 949 CD1 TYR A 139 9.774 15.311 19.405 1.00 49.23 C ATOM 950 CD2 TYR A 139 9.752 12.907 19.487 1.00 48.90 C ATOM 951 CE1 TYR A 139 10.167 15.360 20.735 1.00 49.16 C ATOM 952 CE2 TYR A 139 10.149 12.945 20.821 1.00 49.43 C ATOM 953 CZ TYR A 139 10.353 14.181 21.436 1.00 50.64 C ATOM 954 OH TYR A 139 10.756 14.251 22.754 1.00 53.07 O ATOM 955 N SER A 140 6.353 13.897 15.105 1.00 51.97 N ATOM 956 CA SER A 140 5.838 14.191 13.760 1.00 52.09 C ATOM 957 C SER A 140 4.989 15.467 13.795 1.00 51.94 C ATOM 958 O SER A 140 4.712 16.063 12.767 1.00 52.37 O ATOM 959 CB SER A 140 5.046 13.008 13.192 1.00 51.97 C ATOM 960 OG SER A 140 3.793 12.870 13.846 1.00 52.56 O ATOM 961 N ALA A 141 4.589 15.879 14.994 1.00 52.13 N ATOM 962 CA ALA A 141 3.917 17.159 15.208 1.00 52.19 C ATOM 963 C ALA A 141 4.721 18.312 14.597 1.00 52.12 C ATOM 964 O ALA A 141 4.145 19.224 13.995 1.00 51.76 O ATOM 965 CB ALA A 141 3.685 17.394 16.696 1.00 51.98 C ATOM 966 N TYR A 142 6.051 18.244 14.721 1.00 52.11 N ATOM 967 CA TYR A 142 6.930 19.292 14.174 1.00 51.79 C ATOM 968 C TYR A 142 7.026 19.313 12.651 1.00 51.54 C ATOM 969 O TYR A 142 7.654 20.195 12.075 1.00 51.80 O ATOM 970 CB TYR A 142 8.295 19.293 14.861 1.00 51.37 C ATOM 971 CG TYR A 142 8.138 19.678 16.309 1.00 51.54 C ATOM 972 CD1 TYR A 142 8.183 21.019 16.698 1.00 49.81 C ATOM 973 CD2 TYR A 142 7.872 18.706 17.285 1.00 51.11 C ATOM 974 CE1 TYR A 142 8.003 21.378 18.007 1.00 50.84 C ATOM 975 CE2 TYR A 142 7.702 19.056 18.614 1.00 51.10 C ATOM 976 CZ TYR A 142 7.766 20.392 18.969 1.00 52.04 C ATOM 977 OH TYR A 142 7.572 20.762 20.280 1.00 52.84 O ATOM 978 N LEU A 143 6.370 18.359 11.999 1.00 51.44 N ATOM 979 CA LEU A 143 6.178 18.448 10.554 1.00 51.29 C ATOM 980 C LEU A 143 5.359 19.693 10.206 1.00 51.04 C ATOM 981 O LEU A 143 5.643 20.350 9.209 1.00 51.29 O ATOM 982 CB LEU A 143 5.521 17.178 9.999 1.00 51.14 C ATOM 983 CG LEU A 143 6.397 15.918 9.950 1.00 50.81 C ATOM 984 CD1 LEU A 143 5.591 14.743 9.507 1.00 48.97 C ATOM 985 CD2 LEU A 143 7.630 16.081 9.060 1.00 51.14 C ATOM 986 N VAL A 144 4.377 20.014 11.057 1.00 51.16 N ATOM 987 CA VAL A 144 3.400 21.093 10.826 1.00 51.08 C ATOM 988 C VAL A 144 3.392 22.216 11.874 1.00 51.43 C ATOM 989 O VAL A 144 2.937 23.320 11.574 1.00 50.98 O ATOM 990 CB VAL A 144 1.918 20.555 10.711 1.00 51.36 C ATOM 991 CG1 VAL A 144 1.724 19.695 9.450 1.00 50.97 C ATOM 992 CG2 VAL A 144 1.471 19.801 11.990 1.00 49.39 C ATOM 993 N ALA A 145 3.857 21.925 13.096 1.00 51.50 N ATOM 994 CA ALA A 145 3.781 22.881 14.208 1.00 51.88 C ATOM 995 C ALA A 145 5.118 23.554 14.582 1.00 52.22 C ATOM 996 O ALA A 145 6.135 22.881 14.774 1.00 52.25 O ATOM 997 CB ALA A 145 3.169 22.222 15.427 1.00 51.45 C ATOM 998 N GLU A 146 5.082 24.878 14.710 1.00 52.31 N ATOM 999 CA GLU A 146 6.242 25.679 15.084 1.00 52.99 C ATOM 1000 C GLU A 146 6.468 25.586 16.598 1.00 52.93 C ATOM 1001 O GLU A 146 7.603 25.680 17.080 1.00 52.49 O ATOM 1002 CB GLU A 146 6.059 27.140 14.634 1.00 53.40 C ATOM 1003 CG GLU A 146 4.892 27.882 15.294 1.00 55.94 C ATOM 1004 CD GLU A 146 4.763 29.336 14.854 1.00 59.30 C ATOM 1005 OE1 GLU A 146 5.429 29.720 13.869 1.00 60.24 O ATOM 1006 OE2 GLU A 146 3.997 30.098 15.501 1.00 59.44 O ATOM 1007 N LYS A 147 5.371 25.377 17.321 1.00 52.46 N ATOM 1008 CA LYS A 147 5.367 25.253 18.766 1.00 52.42 C ATOM 1009 C LYS A 147 4.296 24.239 19.168 1.00 51.96 C ATOM 1010 O LYS A 147 3.182 24.260 18.653 1.00 52.11 O ATOM 1011 CB LYS A 147 5.083 26.618 19.403 1.00 52.70 C ATOM 1012 CG LYS A 147 4.873 26.619 20.915 1.00 54.39 C ATOM 1013 CD LYS A 147 5.057 28.008 21.498 1.00 58.08 C ATOM 1014 CE LYS A 147 3.779 28.832 21.408 1.00 61.39 C ATOM 1015 NZ LYS A 147 3.911 30.140 22.136 1.00 63.95 N ATOM 1016 N VAL A 148 4.634 23.365 20.101 1.00 51.38 N ATOM 1017 CA VAL A 148 3.696 22.378 20.600 1.00 50.97 C ATOM 1018 C VAL A 148 3.525 22.571 22.099 1.00 50.62 C ATOM 1019 O VAL A 148 4.514 22.627 22.837 1.00 51.04 O ATOM 1020 CB VAL A 148 4.172 20.920 20.272 1.00 51.51 C ATOM 1021 CG1 VAL A 148 3.244 19.865 20.908 1.00 48.67 C ATOM 1022 CG2 VAL A 148 4.293 20.728 18.743 1.00 51.33 C ATOM 1023 N VAL A 149 2.273 22.699 22.537 1.00 49.53 N ATOM 1024 CA VAL A 149 1.947 22.793 23.963 1.00 48.39 C ATOM 1025 C VAL A 149 1.099 21.586 24.355 1.00 48.36 C ATOM 1026 O VAL A 149 0.104 21.282 23.686 1.00 48.25 O ATOM 1027 CB VAL A 149 1.216 24.118 24.308 1.00 48.64 C ATOM 1028 CG1 VAL A 149 0.754 24.146 25.755 1.00 47.63 C ATOM 1029 CG2 VAL A 149 2.114 25.327 24.016 1.00 47.27 C ATOM 1030 N VAL A 150 1.507 20.900 25.426 1.00 47.94 N ATOM 1031 CA VAL A 150 0.823 19.709 25.910 1.00 48.10 C ATOM 1032 C VAL A 150 0.285 19.956 27.311 1.00 48.58 C ATOM 1033 O VAL A 150 1.062 20.172 28.254 1.00 48.49 O ATOM 1034 CB VAL A 150 1.763 18.453 25.897 1.00 48.42 C ATOM 1035 CG1 VAL A 150 1.139 17.281 26.608 1.00 47.78 C ATOM 1036 CG2 VAL A 150 2.136 18.051 24.456 1.00 49.22 C ATOM 1037 N ILE A 151 -1.044 19.950 27.445 1.00 48.67 N ATOM 1038 CA ILE A 151 -1.665 20.002 28.756 1.00 48.46 C ATOM 1039 C ILE A 151 -2.101 18.588 29.102 1.00 49.12 C ATOM 1040 O ILE A 151 -2.854 17.954 28.347 1.00 49.53 O ATOM 1041 CB ILE A 151 -2.882 20.982 28.810 1.00 48.61 C ATOM 1042 CG1 ILE A 151 -2.554 22.371 28.220 1.00 48.70 C ATOM 1043 CG2 ILE A 151 -3.466 21.074 30.256 1.00 46.09 C ATOM 1044 CD1 ILE A 151 -1.215 22.977 28.670 1.00 49.74 C ATOM 1045 N THR A 152 -1.659 18.107 30.259 1.00 49.44 N ATOM 1046 CA THR A 152 -1.905 16.726 30.634 1.00 50.14 C ATOM 1047 C THR A 152 -2.210 16.562 32.117 1.00 50.69 C ATOM 1048 O THR A 152 -1.823 17.391 32.912 1.00 51.05 O ATOM 1049 CB THR A 152 -0.733 15.818 30.159 1.00 50.00 C ATOM 1050 OG1 THR A 152 -1.066 14.452 30.394 1.00 50.14 O ATOM 1051 CG2 THR A 152 0.554 16.043 30.971 1.00 48.35 C ATOM 1052 N LYS A 153 -2.927 15.493 32.460 1.00 51.46 N ATOM 1053 CA LYS A 153 -3.346 15.201 33.824 1.00 52.20 C ATOM 1054 C LYS A 153 -3.482 13.686 34.040 1.00 53.11 C ATOM 1055 O LYS A 153 -4.312 13.039 33.419 1.00 53.01 O ATOM 1056 CB LYS A 153 -4.673 15.904 34.127 1.00 52.06 C ATOM 1057 CG LYS A 153 -5.285 15.587 35.504 1.00 52.07 C ATOM 1058 CD LYS A 153 -4.519 16.244 36.665 1.00 50.91 C ATOM 1059 CE LYS A 153 -5.237 15.980 37.964 1.00 51.20 C ATOM 1060 NZ LYS A 153 -4.892 14.627 38.478 1.00 51.45 N ATOM 1061 N HIS A 154 -2.665 13.148 34.940 1.00 54.48 N ATOM 1062 CA HIS A 154 -2.707 11.744 35.349 1.00 55.90 C ATOM 1063 C HIS A 154 -3.328 11.687 36.726 1.00 56.83 C ATOM 1064 O HIS A 154 -3.162 12.613 37.510 1.00 57.75 O ATOM 1065 CB HIS A 154 -1.280 11.191 35.409 1.00 55.89 C ATOM 1066 CG HIS A 154 -1.196 9.700 35.542 1.00 55.96 C ATOM 1067 ND1 HIS A 154 -1.318 9.050 36.751 1.00 56.31 N ATOM 1068 CD2 HIS A 154 -0.961 8.736 34.623 1.00 55.76 C ATOM 1069 CE1 HIS A 154 -1.182 7.751 36.570 1.00 54.39 C ATOM 1070 NE2 HIS A 154 -0.962 7.533 35.288 1.00 55.78 N ATOM 1071 N ASN A 155 -4.042 10.607 37.023 1.00 58.14 N ATOM 1072 CA ASN A 155 -4.692 10.421 38.329 1.00 59.30 C ATOM 1073 C ASN A 155 -3.773 10.598 39.562 1.00 60.74 C ATOM 1074 O ASN A 155 -4.211 11.125 40.592 1.00 60.94 O ATOM 1075 CB ASN A 155 -5.381 9.049 38.398 1.00 58.85 C ATOM 1076 CG ASN A 155 -6.651 8.976 37.564 1.00 57.12 C ATOM 1077 OD1 ASN A 155 -7.341 9.976 37.359 1.00 53.46 O ATOM 1078 ND2 ASN A 155 -6.968 7.776 37.084 1.00 54.10 N ATOM 1079 N ASP A 156 -2.512 10.176 39.456 1.00 62.01 N ATOM 1080 CA ASP A 156 -1.579 10.277 40.591 1.00 63.63 C ATOM 1081 C ASP A 156 -0.799 11.601 40.702 1.00 63.19 C ATOM 1082 O ASP A 156 0.085 11.721 41.541 1.00 63.18 O ATOM 1083 CB ASP A 156 -0.594 9.084 40.595 1.00 64.61 C ATOM 1084 CG ASP A 156 0.446 9.159 39.465 1.00 67.24 C ATOM 1085 OD1 ASP A 156 0.322 10.059 38.591 1.00 69.57 O ATOM 1086 OD2 ASP A 156 1.416 8.359 39.372 1.00 69.07 O ATOM 1087 N ASP A 157 -1.127 12.580 39.862 1.00 62.78 N ATOM 1088 CA ASP A 157 -0.325 13.793 39.744 1.00 62.03 C ATOM 1089 C ASP A 157 -1.167 15.055 39.483 1.00 61.57 C ATOM 1090 O ASP A 157 -2.385 14.980 39.259 1.00 61.36 O ATOM 1091 CB ASP A 157 0.707 13.609 38.628 1.00 62.40 C ATOM 1092 CG ASP A 157 2.114 14.032 39.036 1.00 63.03 C ATOM 1093 OD1 ASP A 157 2.281 14.815 40.001 1.00 64.93 O ATOM 1094 OD2 ASP A 157 3.125 13.630 38.433 1.00 63.16 O ATOM 1095 N GLU A 158 -0.501 16.206 39.539 1.00 60.47 N ATOM 1096 CA GLU A 158 -1.092 17.488 39.185 1.00 59.85 C ATOM 1097 C GLU A 158 -1.151 17.653 37.680 1.00 58.53 C ATOM 1098 O GLU A 158 -0.429 16.981 36.951 1.00 58.27 O ATOM 1099 CB GLU A 158 -0.241 18.637 39.730 1.00 60.51 C ATOM 1100 CG GLU A 158 0.021 18.613 41.224 1.00 63.63 C ATOM 1101 CD GLU A 158 0.930 19.742 41.653 1.00 66.70 C ATOM 1102 OE1 GLU A 158 0.628 20.911 41.309 1.00 66.94 O ATOM 1103 OE2 GLU A 158 1.945 19.451 42.327 1.00 67.87 O ATOM 1104 N GLN A 159 -2.002 18.567 37.220 1.00 56.86 N ATOM 1105 CA GLN A 159 -1.993 18.991 35.828 1.00 55.24 C ATOM 1106 C GLN A 159 -0.703 19.727 35.470 1.00 54.88 C ATOM 1107 O GLN A 159 -0.196 20.548 36.253 1.00 54.18 O ATOM 1108 CB GLN A 159 -3.174 19.908 35.550 1.00 55.09 C ATOM 1109 CG GLN A 159 -3.524 20.044 34.081 1.00 52.16 C ATOM 1110 CD GLN A 159 -4.946 20.482 33.901 1.00 48.19 C ATOM 1111 OE1 GLN A 159 -5.855 19.761 34.284 1.00 50.62 O ATOM 1112 NE2 GLN A 159 -5.148 21.664 33.347 1.00 42.25 N ATOM 1113 N TYR A 160 -0.192 19.439 34.273 1.00 54.21 N ATOM 1114 CA TYR A 160 1.033 20.058 33.794 1.00 53.89 C ATOM 1115 C TYR A 160 0.916 20.611 32.389 1.00 53.80 C ATOM 1116 O TYR A 160 0.140 20.104 31.569 1.00 52.93 O ATOM 1117 CB TYR A 160 2.205 19.082 33.874 1.00 53.75 C ATOM 1118 CG TYR A 160 2.668 18.841 35.286 1.00 55.13 C ATOM 1119 CD1 TYR A 160 3.427 19.797 35.968 1.00 55.92 C ATOM 1120 CD2 TYR A 160 2.349 17.656 35.945 1.00 55.92 C ATOM 1121 CE1 TYR A 160 3.855 19.580 37.280 1.00 58.03 C ATOM 1122 CE2 TYR A 160 2.756 17.437 37.257 1.00 58.76 C ATOM 1123 CZ TYR A 160 3.507 18.401 37.915 1.00 58.61 C ATOM 1124 OH TYR A 160 3.913 18.169 39.200 1.00 62.00 O ATOM 1125 N ALA A 161 1.706 21.657 32.138 1.00 53.56 N ATOM 1126 CA ALA A 161 1.939 22.167 30.796 1.00 53.63 C ATOM 1127 C ALA A 161 3.379 21.908 30.336 1.00 53.68 C ATOM 1128 O ALA A 161 4.337 22.449 30.902 1.00 53.79 O ATOM 1129 CB ALA A 161 1.604 23.650 30.717 1.00 53.38 C ATOM 1130 N TRP A 162 3.503 21.067 29.312 1.00 53.44 N ATOM 1131 CA TRP A 162 4.754 20.831 28.606 1.00 53.40 C ATOM 1132 C TRP A 162 4.756 21.696 27.357 1.00 53.85 C ATOM 1133 O TRP A 162 3.737 21.799 26.675 1.00 54.27 O ATOM 1134 CB TRP A 162 4.845 19.356 28.214 1.00 52.93 C ATOM 1135 CG TRP A 162 6.049 18.940 27.362 1.00 52.08 C ATOM 1136 CD1 TRP A 162 7.169 18.306 27.804 1.00 51.11 C ATOM 1137 CD2 TRP A 162 6.214 19.089 25.937 1.00 50.36 C ATOM 1138 NE1 TRP A 162 8.020 18.058 26.757 1.00 50.91 N ATOM 1139 CE2 TRP A 162 7.459 18.522 25.599 1.00 50.96 C ATOM 1140 CE3 TRP A 162 5.425 19.634 24.907 1.00 49.85 C ATOM 1141 CZ2 TRP A 162 7.948 18.495 24.278 1.00 51.79 C ATOM 1142 CZ3 TRP A 162 5.910 19.615 23.599 1.00 48.16 C ATOM 1143 CH2 TRP A 162 7.156 19.052 23.296 1.00 50.71 C ATOM 1144 N GLU A 163 5.889 22.313 27.040 1.00 54.11 N ATOM 1145 CA GLU A 163 5.955 23.157 25.850 1.00 54.67 C ATOM 1146 C GLU A 163 7.343 23.108 25.204 1.00 54.39 C ATOM 1147 O GLU A 163 8.355 23.136 25.909 1.00 54.25 O ATOM 1148 CB GLU A 163 5.539 24.605 26.208 1.00 55.11 C ATOM 1149 CG GLU A 163 5.758 25.643 25.116 1.00 56.70 C ATOM 1150 CD GLU A 163 5.301 27.040 25.512 1.00 59.93 C ATOM 1151 OE1 GLU A 163 4.276 27.168 26.228 1.00 60.07 O ATOM 1152 OE2 GLU A 163 5.977 28.016 25.100 1.00 60.86 O ATOM 1153 N SER A 164 7.382 23.023 23.870 1.00 54.12 N ATOM 1154 CA SER A 164 8.630 23.170 23.114 1.00 53.80 C ATOM 1155 C SER A 164 8.455 23.696 21.686 1.00 53.92 C ATOM 1156 O SER A 164 7.580 23.241 20.946 1.00 53.42 O ATOM 1157 CB SER A 164 9.413 21.865 23.062 1.00 53.80 C ATOM 1158 OG SER A 164 10.618 22.068 22.334 1.00 53.08 O ATOM 1159 N SER A 165 9.323 24.636 21.310 1.00 53.99 N ATOM 1160 CA SER A 165 9.393 25.161 19.951 1.00 54.28 C ATOM 1161 C SER A 165 10.662 24.614 19.287 1.00 54.60 C ATOM 1162 O SER A 165 11.217 25.211 18.353 1.00 54.52 O ATOM 1163 CB SER A 165 9.418 26.695 19.965 1.00 54.38 C ATOM 1164 OG SER A 165 8.262 27.250 20.569 1.00 53.90 O ATOM 1165 N ALA A 166 11.096 23.457 19.777 1.00 54.89 N ATOM 1166 CA ALA A 166 12.377 22.859 19.411 1.00 55.18 C ATOM 1167 C ALA A 166 13.560 23.740 19.871 1.00 55.29 C ATOM 1168 O ALA A 166 13.557 24.266 20.991 1.00 55.47 O ATOM 1169 CB ALA A 166 12.435 22.540 17.901 1.00 55.04 C ATOM 1170 N GLY A 167 14.569 23.890 19.024 1.00 54.98 N ATOM 1171 CA GLY A 167 15.748 24.637 19.408 1.00 55.00 C ATOM 1172 C GLY A 167 16.555 23.999 20.530 1.00 54.59 C ATOM 1173 O GLY A 167 17.445 24.648 21.084 1.00 55.10 O ATOM 1174 N GLY A 168 16.236 22.752 20.876 1.00 54.10 N ATOM 1175 CA GLY A 168 17.001 21.996 21.856 1.00 53.84 C ATOM 1176 C GLY A 168 16.448 21.950 23.270 1.00 53.68 C ATOM 1177 O GLY A 168 17.016 21.281 24.145 1.00 53.97 O ATOM 1178 N SER A 169 15.340 22.649 23.500 1.00 53.03 N ATOM 1179 CA SER A 169 14.761 22.733 24.835 1.00 52.27 C ATOM 1180 C SER A 169 13.250 22.518 24.883 1.00 51.59 C ATOM 1181 O SER A 169 12.546 22.685 23.890 1.00 50.95 O ATOM 1182 CB SER A 169 15.110 24.084 25.484 1.00 52.27 C ATOM 1183 OG SER A 169 14.395 25.145 24.871 1.00 52.80 O ATOM 1184 N PHE A 170 12.794 22.126 26.069 1.00 51.40 N ATOM 1185 CA PHE A 170 11.400 22.151 26.468 1.00 50.73 C ATOM 1186 C PHE A 170 11.273 22.737 27.874 1.00 51.11 C ATOM 1187 O PHE A 170 12.268 22.818 28.614 1.00 50.74 O ATOM 1188 CB PHE A 170 10.784 20.756 26.415 1.00 50.28 C ATOM 1189 CG PHE A 170 11.379 19.774 27.382 1.00 49.47 C ATOM 1190 CD1 PHE A 170 10.793 19.557 28.626 1.00 48.71 C ATOM 1191 CD2 PHE A 170 12.493 19.002 27.024 1.00 49.55 C ATOM 1192 CE1 PHE A 170 11.320 18.606 29.507 1.00 47.42 C ATOM 1193 CE2 PHE A 170 13.036 18.063 27.909 1.00 47.77 C ATOM 1194 CZ PHE A 170 12.452 17.869 29.147 1.00 46.86 C ATOM 1195 N THR A 171 10.049 23.144 28.224 1.00 51.03 N ATOM 1196 CA THR A 171 9.705 23.574 29.575 1.00 51.27 C ATOM 1197 C THR A 171 8.550 22.774 30.196 1.00 51.95 C ATOM 1198 O THR A 171 7.654 22.278 29.490 1.00 51.94 O ATOM 1199 CB THR A 171 9.346 25.063 29.610 1.00 51.31 C ATOM 1200 OG1 THR A 171 8.198 25.299 28.790 1.00 51.48 O ATOM 1201 CG2 THR A 171 10.444 25.920 28.988 1.00 49.76 C ATOM 1202 N VAL A 172 8.597 22.637 31.519 1.00 52.18 N ATOM 1203 CA VAL A 172 7.533 21.984 32.277 1.00 52.98 C ATOM 1204 C VAL A 172 7.176 22.861 33.474 1.00 53.85 C ATOM 1205 O VAL A 172 8.052 23.299 34.217 1.00 54.16 O ATOM 1206 CB VAL A 172 7.918 20.534 32.741 1.00 52.69 C ATOM 1207 CG1 VAL A 172 6.874 19.953 33.685 1.00 51.09 C ATOM 1208 CG2 VAL A 172 8.106 19.611 31.549 1.00 52.06 C ATOM 1209 N ARG A 173 5.883 23.115 33.638 1.00 55.24 N ATOM 1210 CA ARG A 173 5.353 23.908 34.749 1.00 56.63 C ATOM 1211 C ARG A 173 4.002 23.351 35.213 1.00 57.26 C ATOM 1212 O ARG A 173 3.269 22.733 34.433 1.00 57.47 O ATOM 1213 CB ARG A 173 5.202 25.379 34.334 1.00 56.22 C ATOM 1214 CG ARG A 173 4.327 25.594 33.118 1.00 57.79 C ATOM 1215 CD ARG A 173 3.647 26.947 33.042 1.00 61.29 C ATOM 1216 NE ARG A 173 2.201 26.828 33.253 1.00 64.83 N ATOM 1217 CZ ARG A 173 1.287 26.902 32.291 1.00 65.47 C ATOM 1218 NH1 ARG A 173 1.641 27.119 31.031 1.00 66.36 N ATOM 1219 NH2 ARG A 173 0.013 26.765 32.591 1.00 65.65 N ATOM 1220 N ALA A 174 3.682 23.562 36.486 1.00 58.07 N ATOM 1221 CA ALA A 174 2.341 23.307 36.988 1.00 58.82 C ATOM 1222 C ALA A 174 1.382 24.204 36.225 1.00 59.57 C ATOM 1223 O ALA A 174 1.646 25.393 36.063 1.00 59.56 O ATOM 1224 CB ALA A 174 2.265 23.592 38.471 1.00 58.47 C ATOM 1225 N ASP A 175 0.293 23.624 35.721 1.00 60.65 N ATOM 1226 CA ASP A 175 -0.697 24.384 34.958 1.00 61.41 C ATOM 1227 C ASP A 175 -1.935 24.594 35.813 1.00 62.68 C ATOM 1228 O ASP A 175 -2.646 23.636 36.151 1.00 62.96 O ATOM 1229 CB ASP A 175 -1.043 23.669 33.638 1.00 61.06 C ATOM 1230 CG ASP A 175 -2.263 24.261 32.935 1.00 59.60 C ATOM 1231 OD1 ASP A 175 -2.295 25.473 32.694 1.00 56.37 O ATOM 1232 OD2 ASP A 175 -3.245 23.585 32.579 1.00 59.98 O ATOM 1233 N HIS A 176 -2.181 25.847 36.177 1.00 63.92 N ATOM 1234 CA HIS A 176 -3.361 26.188 36.967 1.00 65.48 C ATOM 1235 C HIS A 176 -4.470 26.811 36.109 1.00 65.44 C ATOM 1236 O HIS A 176 -5.287 27.583 36.618 1.00 65.99 O ATOM 1237 CB HIS A 176 -3.001 27.141 38.119 1.00 66.08 C ATOM 1238 CG HIS A 176 -1.958 26.615 39.054 1.00 67.83 C ATOM 1239 ND1 HIS A 176 -2.202 25.590 39.943 1.00 69.36 N ATOM 1240 CD2 HIS A 176 -0.672 26.991 39.258 1.00 69.50 C ATOM 1241 CE1 HIS A 176 -1.111 25.349 40.647 1.00 69.78 C ATOM 1242 NE2 HIS A 176 -0.170 26.189 40.255 1.00 70.55 N ATOM 1243 N GLY A 177 -4.495 26.484 34.816 1.00 65.26 N ATOM 1244 CA GLY A 177 -5.611 26.839 33.952 1.00 64.94 C ATOM 1245 C GLY A 177 -6.815 25.957 34.233 1.00 64.79 C ATOM 1246 O GLY A 177 -6.887 25.306 35.278 1.00 64.93 O ATOM 1247 N GLU A 178 -7.766 25.919 33.303 1.00 64.81 N ATOM 1248 CA GLU A 178 -8.951 25.071 33.452 1.00 64.54 C ATOM 1249 C GLU A 178 -8.536 23.596 33.580 1.00 63.78 C ATOM 1250 O GLU A 178 -7.756 23.102 32.764 1.00 63.28 O ATOM 1251 CB GLU A 178 -9.889 25.251 32.260 1.00 64.90 C ATOM 1252 CG GLU A 178 -10.804 26.469 32.347 1.00 67.69 C ATOM 1253 CD GLU A 178 -12.241 26.105 32.711 1.00 69.79 C ATOM 1254 OE1 GLU A 178 -12.983 25.586 31.827 1.00 69.67 O ATOM 1255 OE2 GLU A 178 -12.615 26.336 33.884 1.00 69.14 O ATOM 1256 N PRO A 179 -9.021 22.911 34.618 1.00 63.09 N ATOM 1257 CA PRO A 179 -8.797 21.465 34.764 1.00 62.35 C ATOM 1258 C PRO A 179 -9.281 20.684 33.548 1.00 61.29 C ATOM 1259 O PRO A 179 -10.340 21.000 33.002 1.00 61.47 O ATOM 1260 CB PRO A 179 -9.654 21.103 35.984 1.00 62.39 C ATOM 1261 CG PRO A 179 -9.701 22.360 36.788 1.00 62.79 C ATOM 1262 CD PRO A 179 -9.777 23.462 35.758 1.00 63.17 C ATOM 1263 N ILE A 180 -8.515 19.690 33.118 1.00 59.67 N ATOM 1264 CA ILE A 180 -9.008 18.797 32.077 1.00 58.15 C ATOM 1265 C ILE A 180 -9.604 17.509 32.656 1.00 57.26 C ATOM 1266 O ILE A 180 -10.197 16.720 31.934 1.00 57.61 O ATOM 1267 CB ILE A 180 -7.945 18.551 30.970 1.00 58.00 C ATOM 1268 CG1 ILE A 180 -6.689 17.873 31.536 1.00 57.95 C ATOM 1269 CG2 ILE A 180 -7.655 19.871 30.249 1.00 57.42 C ATOM 1270 CD1 ILE A 180 -5.555 17.719 30.555 1.00 56.48 C ATOM 1271 N GLY A 181 -9.464 17.325 33.969 1.00 55.99 N ATOM 1272 CA GLY A 181 -10.045 16.192 34.666 1.00 54.07 C ATOM 1273 C GLY A 181 -9.094 15.012 34.714 1.00 52.72 C ATOM 1274 O GLY A 181 -8.665 14.580 35.784 1.00 52.03 O ATOM 1275 N ARG A 182 -8.800 14.498 33.527 1.00 51.51 N ATOM 1276 CA ARG A 182 -7.829 13.442 33.289 1.00 50.86 C ATOM 1277 C ARG A 182 -7.604 13.395 31.787 1.00 50.84 C ATOM 1278 O ARG A 182 -8.550 13.561 30.995 1.00 50.71 O ATOM 1279 CB ARG A 182 -8.344 12.097 33.787 1.00 50.66 C ATOM 1280 CG ARG A 182 -7.361 10.952 33.675 1.00 49.71 C ATOM 1281 CD ARG A 182 -8.004 9.580 33.699 1.00 47.83 C ATOM 1282 NE ARG A 182 -8.839 9.321 32.528 1.00 47.00 N ATOM 1283 CZ ARG A 182 -10.173 9.263 32.537 1.00 45.67 C ATOM 1284 NH1 ARG A 182 -10.867 9.444 33.661 1.00 44.66 N ATOM 1285 NH2 ARG A 182 -10.814 9.009 31.413 1.00 44.09 N ATOM 1286 N GLY A 183 -6.355 13.200 31.380 1.00 50.64 N ATOM 1287 CA GLY A 183 -6.069 13.062 29.962 1.00 50.53 C ATOM 1288 C GLY A 183 -5.065 14.036 29.399 1.00 50.32 C ATOM 1289 O GLY A 183 -4.194 14.508 30.122 1.00 49.86 O ATOM 1290 N THR A 184 -5.175 14.307 28.097 1.00 50.52 N ATOM 1291 CA THR A 184 -4.146 15.070 27.372 1.00 51.16 C ATOM 1292 C THR A 184 -4.681 15.984 26.276 1.00 51.69 C ATOM 1293 O THR A 184 -5.467 15.571 25.441 1.00 51.68 O ATOM 1294 CB THR A 184 -3.042 14.136 26.781 1.00 50.86 C ATOM 1295 OG1 THR A 184 -2.390 13.417 27.839 1.00 50.31 O ATOM 1296 CG2 THR A 184 -1.912 14.962 26.160 1.00 49.81 C ATOM 1297 N LYS A 185 -4.206 17.224 26.294 1.00 52.82 N ATOM 1298 CA LYS A 185 -4.507 18.239 25.292 1.00 53.71 C ATOM 1299 C LYS A 185 -3.216 18.576 24.522 1.00 53.43 C ATOM 1300 O LYS A 185 -2.294 19.156 25.092 1.00 53.63 O ATOM 1301 CB LYS A 185 -4.977 19.487 26.027 1.00 54.19 C ATOM 1302 CG LYS A 185 -6.218 20.169 25.539 1.00 56.96 C ATOM 1303 CD LYS A 185 -6.724 21.092 26.640 1.00 60.43 C ATOM 1304 CE LYS A 185 -7.067 22.471 26.114 1.00 64.54 C ATOM 1305 NZ LYS A 185 -7.443 23.412 27.231 1.00 66.05 N ATOM 1306 N VAL A 186 -3.138 18.196 23.248 1.00 53.54 N ATOM 1307 CA VAL A 186 -2.002 18.556 22.398 1.00 53.14 C ATOM 1308 C VAL A 186 -2.349 19.752 21.513 1.00 53.59 C ATOM 1309 O VAL A 186 -3.156 19.648 20.595 1.00 53.73 O ATOM 1310 CB VAL A 186 -1.498 17.389 21.513 1.00 53.13 C ATOM 1311 CG1 VAL A 186 -0.327 17.852 20.636 1.00 52.38 C ATOM 1312 CG2 VAL A 186 -1.071 16.180 22.358 1.00 52.90 C ATOM 1313 N ILE A 187 -1.729 20.893 21.793 1.00 53.84 N ATOM 1314 CA ILE A 187 -2.009 22.101 21.038 1.00 53.52 C ATOM 1315 C ILE A 187 -0.895 22.341 20.037 1.00 53.61 C ATOM 1316 O ILE A 187 0.249 22.612 20.413 1.00 53.65 O ATOM 1317 CB ILE A 187 -2.194 23.305 21.970 1.00 53.68 C ATOM 1318 CG1 ILE A 187 -3.174 22.957 23.116 1.00 52.95 C ATOM 1319 CG2 ILE A 187 -2.654 24.522 21.164 1.00 53.43 C ATOM 1320 CD1 ILE A 187 -3.037 23.839 24.383 1.00 50.35 C ATOM 1321 N LEU A 188 -1.246 22.206 18.760 1.00 53.48 N ATOM 1322 CA LEU A 188 -0.316 22.403 17.668 1.00 53.31 C ATOM 1323 C LEU A 188 -0.464 23.829 17.188 1.00 53.51 C ATOM 1324 O LEU A 188 -1.509 24.201 16.671 1.00 53.58 O ATOM 1325 CB LEU A 188 -0.574 21.409 16.523 1.00 52.82 C ATOM 1326 CG LEU A 188 -0.679 19.923 16.890 1.00 53.37 C ATOM 1327 CD1 LEU A 188 -1.390 19.155 15.799 1.00 54.55 C ATOM 1328 CD2 LEU A 188 0.671 19.289 17.167 1.00 52.16 C ATOM 1329 N HIS A 189 0.585 24.622 17.391 1.00 53.63 N ATOM 1330 CA HIS A 189 0.662 25.973 16.862 1.00 53.85 C ATOM 1331 C HIS A 189 1.286 25.825 15.486 1.00 54.60 C ATOM 1332 O HIS A 189 2.476 25.568 15.360 1.00 54.75 O ATOM 1333 CB HIS A 189 1.491 26.868 17.801 1.00 53.32 C ATOM 1334 CG HIS A 189 0.824 27.124 19.119 1.00 51.59 C ATOM 1335 ND1 HIS A 189 0.174 28.304 19.409 1.00 48.69 N ATOM 1336 CD2 HIS A 189 0.668 26.334 20.209 1.00 50.83 C ATOM 1337 CE1 HIS A 189 -0.340 28.234 20.623 1.00 48.62 C ATOM 1338 NE2 HIS A 189 -0.053 27.050 21.133 1.00 48.22 N ATOM 1339 N LEU A 190 0.458 25.940 14.454 1.00 55.66 N ATOM 1340 CA LEU A 190 0.855 25.545 13.105 1.00 56.33 C ATOM 1341 C LEU A 190 1.715 26.573 12.394 1.00 57.16 C ATOM 1342 O LEU A 190 1.652 27.773 12.675 1.00 57.44 O ATOM 1343 CB LEU A 190 -0.358 25.182 12.245 1.00 56.06 C ATOM 1344 CG LEU A 190 -1.373 24.134 12.695 1.00 55.90 C ATOM 1345 CD1 LEU A 190 -2.443 24.066 11.645 1.00 56.13 C ATOM 1346 CD2 LEU A 190 -0.777 22.750 12.920 1.00 54.19 C ATOM 1347 N LYS A 191 2.533 26.065 11.482 1.00 58.21 N ATOM 1348 CA LYS A 191 3.410 26.863 10.651 1.00 59.49 C ATOM 1349 C LYS A 191 2.561 27.622 9.655 1.00 60.30 C ATOM 1350 O LYS A 191 1.512 27.128 9.223 1.00 60.50 O ATOM 1351 CB LYS A 191 4.394 25.949 9.902 1.00 59.40 C ATOM 1352 CG LYS A 191 5.468 25.308 10.766 1.00 60.24 C ATOM 1353 CD LYS A 191 6.568 24.698 9.915 1.00 62.66 C ATOM 1354 CE LYS A 191 6.945 23.305 10.410 1.00 64.53 C ATOM 1355 NZ LYS A 191 7.836 22.557 9.464 1.00 65.01 N ATOM 1356 N GLU A 192 3.022 28.817 9.293 1.00 61.40 N ATOM 1357 CA GLU A 192 2.362 29.677 8.307 1.00 62.29 C ATOM 1358 C GLU A 192 1.846 28.911 7.097 1.00 62.23 C ATOM 1359 O GLU A 192 0.748 29.185 6.619 1.00 62.03 O ATOM 1360 CB GLU A 192 3.334 30.756 7.817 1.00 62.94 C ATOM 1361 CG GLU A 192 2.825 32.188 7.892 1.00 65.82 C ATOM 1362 CD GLU A 192 3.761 33.181 7.206 1.00 70.02 C ATOM 1363 OE1 GLU A 192 4.956 33.275 7.609 1.00 70.17 O ATOM 1364 OE2 GLU A 192 3.298 33.869 6.258 1.00 71.63 O ATOM 1365 N ASP A 193 2.645 27.961 6.604 1.00 62.26 N ATOM 1366 CA ASP A 193 2.334 27.264 5.357 1.00 62.32 C ATOM 1367 C ASP A 193 1.435 26.045 5.553 1.00 61.24 C ATOM 1368 O ASP A 193 1.051 25.395 4.576 1.00 60.67 O ATOM 1369 CB ASP A 193 3.624 26.919 4.557 1.00 63.37 C ATOM 1370 CG ASP A 193 4.536 25.911 5.272 1.00 65.86 C ATOM 1371 OD1 ASP A 193 4.455 25.759 6.509 1.00 69.00 O ATOM 1372 OD2 ASP A 193 5.387 25.220 4.664 1.00 69.78 O ATOM 1373 N GLN A 194 1.074 25.772 6.810 1.00 60.32 N ATOM 1374 CA GLN A 194 0.345 24.547 7.179 1.00 59.47 C ATOM 1375 C GLN A 194 -1.093 24.776 7.657 1.00 59.22 C ATOM 1376 O GLN A 194 -1.631 23.972 8.425 1.00 58.54 O ATOM 1377 CB GLN A 194 1.120 23.785 8.262 1.00 59.51 C ATOM 1378 CG GLN A 194 2.385 23.056 7.812 1.00 58.50 C ATOM 1379 CD GLN A 194 2.378 22.593 6.363 1.00 57.96 C ATOM 1380 OE1 GLN A 194 3.227 23.011 5.582 1.00 57.25 O ATOM 1381 NE2 GLN A 194 1.447 21.710 6.012 1.00 58.80 N ATOM 1382 N THR A 195 -1.716 25.861 7.190 1.00 59.02 N ATOM 1383 CA THR A 195 -3.041 26.263 7.659 1.00 58.59 C ATOM 1384 C THR A 195 -4.174 25.417 7.095 1.00 58.48 C ATOM 1385 O THR A 195 -5.301 25.463 7.599 1.00 58.63 O ATOM 1386 CB THR A 195 -3.300 27.764 7.395 1.00 58.73 C ATOM 1387 OG1 THR A 195 -3.150 28.047 6.002 1.00 59.15 O ATOM 1388 CG2 THR A 195 -2.221 28.623 8.051 1.00 58.95 C ATOM 1389 N GLU A 196 -3.888 24.633 6.060 1.00 58.17 N ATOM 1390 CA GLU A 196 -4.892 23.712 5.519 1.00 57.99 C ATOM 1391 C GLU A 196 -5.504 22.801 6.601 1.00 57.92 C ATOM 1392 O GLU A 196 -6.658 22.401 6.493 1.00 57.71 O ATOM 1393 CB GLU A 196 -4.311 22.880 4.375 1.00 57.75 C ATOM 1394 CG GLU A 196 -3.407 21.754 4.826 1.00 55.79 C ATOM 1395 CD GLU A 196 -2.517 21.261 3.728 1.00 52.57 C ATOM 1396 OE1 GLU A 196 -1.659 22.027 3.278 1.00 54.55 O ATOM 1397 OE2 GLU A 196 -2.670 20.107 3.316 1.00 52.60 O ATOM 1398 N TYR A 197 -4.721 22.521 7.642 1.00 57.89 N ATOM 1399 CA TYR A 197 -5.132 21.696 8.781 1.00 57.94 C ATOM 1400 C TYR A 197 -6.007 22.406 9.806 1.00 58.36 C ATOM 1401 O TYR A 197 -6.500 21.784 10.733 1.00 58.62 O ATOM 1402 CB TYR A 197 -3.898 21.051 9.445 1.00 57.65 C ATOM 1403 CG TYR A 197 -3.174 20.179 8.462 1.00 55.50 C ATOM 1404 CD1 TYR A 197 -3.784 19.025 7.964 1.00 54.77 C ATOM 1405 CD2 TYR A 197 -1.925 20.538 7.968 1.00 53.63 C ATOM 1406 CE1 TYR A 197 -3.156 18.228 7.021 1.00 54.14 C ATOM 1407 CE2 TYR A 197 -1.277 19.745 7.020 1.00 53.65 C ATOM 1408 CZ TYR A 197 -1.904 18.593 6.555 1.00 53.16 C ATOM 1409 OH TYR A 197 -1.302 17.803 5.625 1.00 51.53 O ATOM 1410 N LEU A 198 -6.195 23.707 9.628 1.00 58.99 N ATOM 1411 CA LEU A 198 -7.155 24.476 10.419 1.00 59.77 C ATOM 1412 C LEU A 198 -8.591 24.324 9.885 1.00 60.38 C ATOM 1413 O LEU A 198 -9.543 24.858 10.466 1.00 60.08 O ATOM 1414 CB LEU A 198 -6.745 25.957 10.466 1.00 59.62 C ATOM 1415 CG LEU A 198 -5.372 26.222 11.099 1.00 59.46 C ATOM 1416 CD1 LEU A 198 -4.913 27.654 10.916 1.00 57.98 C ATOM 1417 CD2 LEU A 198 -5.379 25.834 12.560 1.00 59.24 C ATOM 1418 N GLU A 199 -8.732 23.587 8.783 1.00 61.06 N ATOM 1419 CA GLU A 199 -10.027 23.365 8.154 1.00 62.10 C ATOM 1420 C GLU A 199 -10.540 21.956 8.394 1.00 62.26 C ATOM 1421 O GLU A 199 -9.819 20.973 8.181 1.00 62.32 O ATOM 1422 CB GLU A 199 -9.944 23.651 6.665 1.00 62.22 C ATOM 1423 CG GLU A 199 -10.711 24.892 6.278 1.00 64.28 C ATOM 1424 CD GLU A 199 -10.040 25.670 5.181 1.00 66.61 C ATOM 1425 OE1 GLU A 199 -9.085 25.132 4.583 1.00 68.60 O ATOM 1426 OE2 GLU A 199 -10.476 26.816 4.918 1.00 67.57 O ATOM 1427 N GLU A 200 -11.788 21.863 8.852 1.00 62.67 N ATOM 1428 CA GLU A 200 -12.347 20.579 9.289 1.00 62.66 C ATOM 1429 C GLU A 200 -12.561 19.656 8.098 1.00 62.25 C ATOM 1430 O GLU A 200 -12.454 18.443 8.233 1.00 62.22 O ATOM 1431 CB GLU A 200 -13.640 20.771 10.092 1.00 62.63 C ATOM 1432 CG GLU A 200 -14.325 19.475 10.509 1.00 63.88 C ATOM 1433 CD GLU A 200 -15.534 19.124 9.649 1.00 65.25 C ATOM 1434 OE1 GLU A 200 -16.278 18.193 10.032 1.00 64.29 O ATOM 1435 OE2 GLU A 200 -15.744 19.774 8.591 1.00 65.78 O ATOM 1436 N ARG A 201 -12.839 20.243 6.937 1.00 61.97 N ATOM 1437 CA ARG A 201 -12.981 19.488 5.696 1.00 61.81 C ATOM 1438 C ARG A 201 -11.665 18.818 5.278 1.00 60.77 C ATOM 1439 O ARG A 201 -11.672 17.713 4.730 1.00 61.12 O ATOM 1440 CB ARG A 201 -13.572 20.380 4.600 1.00 62.67 C ATOM 1441 CG ARG A 201 -13.018 20.196 3.190 1.00 65.44 C ATOM 1442 CD ARG A 201 -13.221 21.408 2.300 1.00 68.70 C ATOM 1443 NE ARG A 201 -12.261 22.475 2.585 1.00 71.22 N ATOM 1444 CZ ARG A 201 -11.966 23.462 1.738 1.00 72.96 C ATOM 1445 NH1 ARG A 201 -12.544 23.519 0.542 1.00 72.31 N ATOM 1446 NH2 ARG A 201 -11.079 24.389 2.081 1.00 74.76 N ATOM 1447 N ARG A 202 -10.543 19.469 5.574 1.00 59.38 N ATOM 1448 CA ARG A 202 -9.230 18.866 5.363 1.00 58.40 C ATOM 1449 C ARG A 202 -8.890 17.830 6.427 1.00 58.06 C ATOM 1450 O ARG A 202 -8.383 16.760 6.103 1.00 58.20 O ATOM 1451 CB ARG A 202 -8.135 19.933 5.276 1.00 58.08 C ATOM 1452 CG ARG A 202 -6.710 19.401 5.116 1.00 56.13 C ATOM 1453 CD ARG A 202 -6.452 18.548 3.888 1.00 54.34 C ATOM 1454 NE ARG A 202 -5.036 18.200 3.812 1.00 52.57 N ATOM 1455 CZ ARG A 202 -4.546 17.010 3.488 1.00 51.46 C ATOM 1456 NH1 ARG A 202 -5.347 15.995 3.182 1.00 48.99 N ATOM 1457 NH2 ARG A 202 -3.227 16.839 3.476 1.00 51.58 N ATOM 1458 N VAL A 203 -9.169 18.153 7.689 1.00 57.82 N ATOM 1459 CA VAL A 203 -8.940 17.232 8.811 1.00 57.28 C ATOM 1460 C VAL A 203 -9.769 15.959 8.660 1.00 57.01 C ATOM 1461 O VAL A 203 -9.245 14.861 8.826 1.00 56.78 O ATOM 1462 CB VAL A 203 -9.189 17.928 10.175 1.00 57.49 C ATOM 1463 CG1 VAL A 203 -9.270 16.926 11.313 1.00 57.25 C ATOM 1464 CG2 VAL A 203 -8.105 18.970 10.448 1.00 57.19 C ATOM 1465 N LYS A 204 -11.046 16.114 8.306 1.00 56.87 N ATOM 1466 CA LYS A 204 -11.945 14.984 8.023 1.00 56.98 C ATOM 1467 C LYS A 204 -11.393 14.052 6.940 1.00 56.70 C ATOM 1468 O LYS A 204 -11.427 12.833 7.076 1.00 56.55 O ATOM 1469 CB LYS A 204 -13.332 15.505 7.636 1.00 57.20 C ATOM 1470 CG LYS A 204 -14.383 14.455 7.369 1.00 58.11 C ATOM 1471 CD LYS A 204 -15.799 15.021 7.529 1.00 62.56 C ATOM 1472 CE LYS A 204 -16.001 16.385 6.853 1.00 64.51 C ATOM 1473 NZ LYS A 204 -17.066 17.211 7.543 1.00 65.98 N ATOM 1474 N GLU A 205 -10.874 14.632 5.869 1.00 56.91 N ATOM 1475 CA GLU A 205 -10.235 13.846 4.827 1.00 57.39 C ATOM 1476 C GLU A 205 -9.064 13.011 5.376 1.00 57.82 C ATOM 1477 O GLU A 205 -8.951 11.831 5.041 1.00 57.70 O ATOM 1478 CB GLU A 205 -9.788 14.749 3.667 1.00 57.30 C ATOM 1479 CG GLU A 205 -8.835 14.089 2.682 1.00 56.88 C ATOM 1480 CD GLU A 205 -8.396 15.027 1.585 1.00 56.46 C ATOM 1481 OE1 GLU A 205 -7.950 16.154 1.898 1.00 54.30 O ATOM 1482 OE2 GLU A 205 -8.495 14.623 0.406 1.00 57.72 O ATOM 1483 N VAL A 206 -8.215 13.614 6.217 1.00 58.07 N ATOM 1484 CA VAL A 206 -7.032 12.914 6.763 1.00 58.45 C ATOM 1485 C VAL A 206 -7.387 11.798 7.764 1.00 59.01 C ATOM 1486 O VAL A 206 -6.795 10.715 7.725 1.00 58.64 O ATOM 1487 CB VAL A 206 -5.960 13.890 7.367 1.00 58.10 C ATOM 1488 CG1 VAL A 206 -4.678 13.147 7.703 1.00 56.70 C ATOM 1489 CG2 VAL A 206 -5.651 15.002 6.403 1.00 57.32 C ATOM 1490 N VAL A 207 -8.348 12.073 8.644 1.00 59.57 N ATOM 1491 CA VAL A 207 -8.915 11.063 9.538 1.00 60.26 C ATOM 1492 C VAL A 207 -9.475 9.852 8.759 1.00 61.35 C ATOM 1493 O VAL A 207 -9.321 8.718 9.191 1.00 61.27 O ATOM 1494 CB VAL A 207 -10.011 11.671 10.461 1.00 59.90 C ATOM 1495 CG1 VAL A 207 -10.650 10.613 11.355 1.00 59.51 C ATOM 1496 CG2 VAL A 207 -9.450 12.813 11.306 1.00 59.64 C ATOM 1497 N LYS A 208 -10.109 10.087 7.612 1.00 63.01 N ATOM 1498 CA LYS A 208 -10.724 8.992 6.854 1.00 64.66 C ATOM 1499 C LYS A 208 -9.686 8.051 6.257 1.00 65.08 C ATOM 1500 O LYS A 208 -9.830 6.827 6.326 1.00 65.53 O ATOM 1501 CB LYS A 208 -11.637 9.524 5.749 1.00 65.20 C ATOM 1502 CG LYS A 208 -13.101 9.097 5.872 1.00 67.73 C ATOM 1503 CD LYS A 208 -13.430 7.882 4.983 1.00 72.23 C ATOM 1504 CE LYS A 208 -13.570 8.263 3.486 1.00 74.59 C ATOM 1505 NZ LYS A 208 -14.936 8.762 3.112 1.00 75.29 N ATOM 1506 N LYS A 209 -8.635 8.627 5.680 1.00 65.38 N ATOM 1507 CA LYS A 209 -7.595 7.854 4.998 1.00 65.53 C ATOM 1508 C LYS A 209 -6.720 7.038 5.963 1.00 65.11 C ATOM 1509 O LYS A 209 -6.192 5.981 5.589 1.00 64.68 O ATOM 1510 CB LYS A 209 -6.749 8.792 4.127 1.00 65.75 C ATOM 1511 CG LYS A 209 -5.500 8.189 3.494 1.00 67.35 C ATOM 1512 CD LYS A 209 -4.593 9.302 2.977 1.00 69.53 C ATOM 1513 CE LYS A 209 -3.777 8.875 1.775 1.00 70.93 C ATOM 1514 NZ LYS A 209 -3.285 10.074 1.031 1.00 72.33 N ATOM 1515 N HIS A 210 -6.592 7.519 7.199 1.00 64.79 N ATOM 1516 CA HIS A 210 -5.651 6.936 8.161 1.00 64.92 C ATOM 1517 C HIS A 210 -6.231 6.409 9.469 1.00 64.49 C ATOM 1518 O HIS A 210 -5.759 5.399 9.972 1.00 65.06 O ATOM 1519 CB HIS A 210 -4.522 7.917 8.468 1.00 65.13 C ATOM 1520 CG HIS A 210 -3.726 8.305 7.266 1.00 65.77 C ATOM 1521 ND1 HIS A 210 -2.946 7.404 6.572 1.00 66.76 N ATOM 1522 CD2 HIS A 210 -3.607 9.487 6.618 1.00 65.99 C ATOM 1523 CE1 HIS A 210 -2.375 8.018 5.549 1.00 67.70 C ATOM 1524 NE2 HIS A 210 -2.758 9.284 5.557 1.00 67.65 N ATOM 1525 N SER A 211 -7.251 7.073 10.005 1.00 63.95 N ATOM 1526 CA SER A 211 -7.713 6.800 11.362 1.00 63.30 C ATOM 1527 C SER A 211 -9.190 6.449 11.472 1.00 62.83 C ATOM 1528 O SER A 211 -9.821 6.727 12.497 1.00 63.09 O ATOM 1529 CB SER A 211 -7.402 8.009 12.242 1.00 63.17 C ATOM 1530 OG SER A 211 -6.048 8.377 12.087 1.00 63.60 O ATOM 1531 N GLN A 212 -9.732 5.819 10.432 1.00 62.40 N ATOM 1532 CA GLN A 212 -11.173 5.571 10.324 1.00 61.60 C ATOM 1533 C GLN A 212 -11.688 4.501 11.282 1.00 60.78 C ATOM 1534 O GLN A 212 -12.889 4.434 11.550 1.00 60.62 O ATOM 1535 CB GLN A 212 -11.565 5.229 8.876 1.00 61.75 C ATOM 1536 CG GLN A 212 -11.007 3.909 8.363 1.00 63.34 C ATOM 1537 CD GLN A 212 -11.094 3.754 6.845 1.00 64.61 C ATOM 1538 OE1 GLN A 212 -12.166 3.484 6.300 1.00 64.14 O ATOM 1539 NE2 GLN A 212 -9.960 3.907 6.168 1.00 65.83 N ATOM 1540 N PHE A 213 -10.783 3.671 11.794 1.00 59.93 N ATOM 1541 CA PHE A 213 -11.165 2.540 12.650 1.00 59.18 C ATOM 1542 C PHE A 213 -10.725 2.661 14.103 1.00 58.82 C ATOM 1543 O PHE A 213 -10.735 1.683 14.835 1.00 59.31 O ATOM 1544 CB PHE A 213 -10.697 1.199 12.048 1.00 58.86 C ATOM 1545 CG PHE A 213 -11.336 0.877 10.730 1.00 57.76 C ATOM 1546 CD1 PHE A 213 -12.726 0.833 10.609 1.00 56.65 C ATOM 1547 CD2 PHE A 213 -10.554 0.646 9.606 1.00 57.42 C ATOM 1548 CE1 PHE A 213 -13.335 0.556 9.385 1.00 57.65 C ATOM 1549 CE2 PHE A 213 -11.145 0.362 8.372 1.00 58.83 C ATOM 1550 CZ PHE A 213 -12.548 0.317 8.260 1.00 58.43 C ATOM 1551 N ILE A 214 -10.366 3.863 14.533 1.00 58.17 N ATOM 1552 CA ILE A 214 -10.059 4.085 15.943 1.00 57.58 C ATOM 1553 C ILE A 214 -11.311 3.734 16.786 1.00 57.18 C ATOM 1554 O ILE A 214 -12.411 4.176 16.476 1.00 57.05 O ATOM 1555 CB ILE A 214 -9.551 5.550 16.156 1.00 57.52 C ATOM 1556 CG1 ILE A 214 -8.287 5.818 15.306 1.00 56.83 C ATOM 1557 CG2 ILE A 214 -9.344 5.895 17.648 1.00 57.08 C ATOM 1558 CD1 ILE A 214 -7.019 5.164 15.780 1.00 54.53 C ATOM 1559 N GLY A 215 -11.130 2.917 17.822 1.00 56.62 N ATOM 1560 CA GLY A 215 -12.228 2.429 18.647 1.00 55.74 C ATOM 1561 C GLY A 215 -12.644 3.359 19.775 1.00 55.61 C ATOM 1562 O GLY A 215 -12.949 2.910 20.894 1.00 55.05 O ATOM 1563 N TYR A 216 -12.628 4.658 19.470 1.00 54.98 N ATOM 1564 CA TYR A 216 -13.123 5.702 20.345 1.00 54.54 C ATOM 1565 C TYR A 216 -13.713 6.787 19.457 1.00 54.42 C ATOM 1566 O TYR A 216 -13.180 7.043 18.370 1.00 53.80 O ATOM 1567 CB TYR A 216 -11.996 6.284 21.201 1.00 54.69 C ATOM 1568 CG TYR A 216 -11.382 5.275 22.117 1.00 54.44 C ATOM 1569 CD1 TYR A 216 -11.956 5.004 23.352 1.00 55.35 C ATOM 1570 CD2 TYR A 216 -10.233 4.566 21.740 1.00 54.72 C ATOM 1571 CE1 TYR A 216 -11.409 4.044 24.198 1.00 56.87 C ATOM 1572 CE2 TYR A 216 -9.672 3.617 22.582 1.00 54.85 C ATOM 1573 CZ TYR A 216 -10.271 3.363 23.805 1.00 55.21 C ATOM 1574 OH TYR A 216 -9.743 2.440 24.653 1.00 56.91 O ATOM 1575 N PRO A 217 -14.824 7.396 19.892 1.00 54.09 N ATOM 1576 CA PRO A 217 -15.457 8.473 19.115 1.00 53.95 C ATOM 1577 C PRO A 217 -14.524 9.663 18.912 1.00 53.70 C ATOM 1578 O PRO A 217 -14.036 10.239 19.875 1.00 53.77 O ATOM 1579 CB PRO A 217 -16.692 8.855 19.951 1.00 53.37 C ATOM 1580 CG PRO A 217 -16.446 8.276 21.294 1.00 53.99 C ATOM 1581 CD PRO A 217 -15.590 7.063 21.107 1.00 53.71 C ATOM 1582 N ILE A 218 -14.277 10.000 17.651 1.00 53.50 N ATOM 1583 CA ILE A 218 -13.478 11.155 17.289 1.00 53.10 C ATOM 1584 C ILE A 218 -14.406 12.232 16.758 1.00 53.61 C ATOM 1585 O ILE A 218 -14.943 12.102 15.658 1.00 54.38 O ATOM 1586 CB ILE A 218 -12.422 10.775 16.231 1.00 52.76 C ATOM 1587 CG1 ILE A 218 -11.586 9.581 16.712 1.00 52.08 C ATOM 1588 CG2 ILE A 218 -11.545 11.971 15.896 1.00 52.04 C ATOM 1589 CD1 ILE A 218 -10.295 9.321 15.913 1.00 51.98 C ATOM 1590 N THR A 219 -14.610 13.287 17.545 1.00 53.83 N ATOM 1591 CA THR A 219 -15.425 14.416 17.117 1.00 53.68 C ATOM 1592 C THR A 219 -14.526 15.451 16.453 1.00 54.58 C ATOM 1593 O THR A 219 -13.549 15.931 17.047 1.00 54.44 O ATOM 1594 CB THR A 219 -16.185 15.045 18.321 1.00 53.86 C ATOM 1595 OG1 THR A 219 -17.060 14.077 18.912 1.00 51.57 O ATOM 1596 CG2 THR A 219 -17.147 16.163 17.867 1.00 52.55 C ATOM 1597 N LEU A 220 -14.859 15.784 15.211 1.00 54.93 N ATOM 1598 CA LEU A 220 -14.140 16.815 14.487 1.00 55.61 C ATOM 1599 C LEU A 220 -14.942 18.117 14.575 1.00 56.34 C ATOM 1600 O LEU A 220 -15.985 18.268 13.940 1.00 56.95 O ATOM 1601 CB LEU A 220 -13.821 16.354 13.048 1.00 54.97 C ATOM 1602 CG LEU A 220 -13.447 14.850 12.915 1.00 56.49 C ATOM 1603 CD1 LEU A 220 -13.532 14.295 11.484 1.00 57.47 C ATOM 1604 CD2 LEU A 220 -12.079 14.497 13.521 1.00 57.02 C ATOM 1605 N TYR A 221 -14.471 19.041 15.405 1.00 57.30 N ATOM 1606 CA TYR A 221 -15.128 20.339 15.568 1.00 58.63 C ATOM 1607 C TYR A 221 -15.037 21.152 14.281 1.00 59.50 C ATOM 1608 O TYR A 221 -14.160 20.933 13.449 1.00 59.24 O ATOM 1609 CB TYR A 221 -14.535 21.153 16.738 1.00 58.04 C ATOM 1610 CG TYR A 221 -14.829 20.633 18.142 1.00 57.30 C ATOM 1611 CD1 TYR A 221 -14.819 19.270 18.421 1.00 55.67 C ATOM 1612 CD2 TYR A 221 -15.070 21.524 19.208 1.00 56.11 C ATOM 1613 CE1 TYR A 221 -15.066 18.796 19.708 1.00 55.85 C ATOM 1614 CE2 TYR A 221 -15.325 21.060 20.498 1.00 55.04 C ATOM 1615 CZ TYR A 221 -15.316 19.688 20.737 1.00 56.15 C ATOM 1616 OH TYR A 221 -15.553 19.185 21.994 1.00 55.85 O ATOM 1617 N LEU A 222 -15.955 22.095 14.137 1.00 61.28 N ATOM 1618 CA LEU A 222 -15.988 22.963 12.979 1.00 63.29 C ATOM 1619 C LEU A 222 -15.535 24.351 13.367 1.00 64.62 C ATOM 1620 O LEU A 222 -15.878 24.834 14.429 1.00 64.28 O ATOM 1621 CB LEU A 222 -17.396 22.993 12.380 1.00 63.13 C ATOM 1622 CG LEU A 222 -17.685 23.711 11.053 1.00 63.92 C ATOM 1623 CD1 LEU A 222 -16.684 23.360 9.954 1.00 63.92 C ATOM 1624 CD2 LEU A 222 -19.099 23.390 10.605 1.00 62.34 C ATOM 1625 N GLU A 223 -14.726 24.962 12.506 1.00 67.23 N ATOM 1626 CA GLU A 223 -14.385 26.378 12.604 1.00 70.13 C ATOM 1627 C GLU A 223 -15.662 27.213 12.678 1.00 71.86 C ATOM 1628 O GLU A 223 -16.631 26.952 11.957 1.00 72.51 O ATOM 1629 CB GLU A 223 -13.603 26.840 11.364 1.00 69.86 C ATOM 1630 CG GLU A 223 -12.579 25.874 10.805 1.00 70.28 C ATOM 1631 CD GLU A 223 -13.164 24.858 9.838 1.00 71.13 C ATOM 1632 OE1 GLU A 223 -13.401 25.198 8.652 1.00 69.91 O ATOM 1633 OE2 GLU A 223 -13.368 23.702 10.272 1.00 71.10 O ATOM 1634 N LYS A 224 -15.659 28.224 13.533 1.00 73.69 N ATOM 1635 CA LYS A 224 -16.729 29.211 13.501 1.00 76.17 C ATOM 1636 C LYS A 224 -16.511 30.199 12.344 1.00 78.25 C ATOM 1637 O LYS A 224 -17.444 30.870 11.911 1.00 78.72 O ATOM 1638 CB LYS A 224 -16.844 29.921 14.850 1.00 75.88 C ATOM 1639 CG LYS A 224 -17.445 29.044 15.959 1.00 74.96 C ATOM 1640 CD LYS A 224 -17.306 29.667 17.335 1.00 73.24 C ATOM 1641 CE LYS A 224 -15.867 29.621 17.810 1.00 72.25 C ATOM 1642 NZ LYS A 224 -15.795 29.341 19.250 1.00 71.20 N ATOM 1643 N GLU A 225 -15.284 30.217 11.820 1.00 80.88 N ATOM 1644 CA GLU A 225 -14.786 31.213 10.859 1.00 83.39 C ATOM 1645 C GLU A 225 -15.530 31.333 9.509 1.00 84.96 C ATOM 1646 CB GLU A 225 -13.287 30.983 10.611 1.00 83.31 C ATOM 1647 CG GLU A 225 -12.513 32.232 10.214 0.50 84.26 C ATOM 1648 CD GLU A 225 -12.243 32.310 8.720 0.50 84.81 C ATOM 1649 OE1 GLU A 225 -11.351 31.579 8.233 0.50 84.88 O ATOM 1650 OE2 GLU A 225 -12.920 33.104 8.033 0.50 84.94 O ATOM 1651 N ARG A 226 -15.514 30.405 8.685 1.00 85.21 N TER 1652 ARG A 226 HETATM 1653 C19 PU3 A1224 8.464 10.076 22.946 1.00 47.62 C HETATM 1654 O3 PU3 A1224 8.344 11.256 23.734 1.00 48.82 O HETATM 1655 C5 PU3 A1224 6.991 11.630 24.041 1.00 51.25 C HETATM 1656 C6 PU3 A1224 5.760 11.091 23.358 1.00 49.83 C HETATM 1657 C4 PU3 A1224 6.761 12.923 24.724 1.00 51.98 C HETATM 1658 O1 PU3 A1224 7.808 13.583 25.438 1.00 54.04 O HETATM 1659 C7 PU3 A1224 8.308 14.668 24.663 1.00 51.99 C HETATM 1660 C3 PU3 A1224 5.352 13.322 25.006 1.00 51.51 C HETATM 1661 O2 PU3 A1224 5.200 14.500 25.854 1.00 49.42 O HETATM 1662 C8 PU3 A1224 4.429 15.640 25.533 1.00 48.62 C HETATM 1663 C2 PU3 A1224 4.398 12.690 24.412 1.00 50.78 C HETATM 1664 C1 PU3 A1224 4.554 11.647 23.667 1.00 50.71 C HETATM 1665 C9 PU3 A1224 3.350 10.970 23.024 1.00 50.15 C HETATM 1666 C10 PU3 A1224 2.183 10.742 23.956 1.00 50.60 C HETATM 1667 N1 PU3 A1224 0.921 11.249 23.743 1.00 49.40 N HETATM 1668 C11 PU3 A1224 0.145 10.833 24.752 1.00 49.47 C HETATM 1669 C13 PU3 A1224 -1.266 11.007 25.164 1.00 50.53 C HETATM 1670 N5 PU3 A1224 -2.102 11.740 24.423 1.00 50.43 N HETATM 1671 C12 PU3 A1224 1.016 10.043 25.583 1.00 49.33 C HETATM 1672 N4 PU3 A1224 0.564 9.468 26.735 1.00 50.63 N HETATM 1673 C14 PU3 A1224 -0.826 9.628 27.163 1.00 49.16 C HETATM 1674 N3 PU3 A1224 -1.618 10.452 26.238 1.00 49.14 N HETATM 1675 N2 PU3 A1224 2.242 9.997 25.083 1.00 49.63 N HETATM 1676 C15 PU3 A1224 3.388 9.267 25.611 1.00 49.15 C HETATM 1677 C16 PU3 A1224 3.236 7.846 25.052 1.00 50.40 C HETATM 1678 C17 PU3 A1224 4.538 7.058 24.949 1.00 50.37 C HETATM 1679 C18 PU3 A1224 5.263 7.303 23.640 1.00 51.72 C HETATM 1680 O HOH A2001 13.530 28.224 33.185 1.00 48.17 O HETATM 1681 O HOH A2002 21.275 17.020 26.847 1.00 42.35 O HETATM 1682 O HOH A2003 19.788 19.331 23.125 1.00 64.36 O HETATM 1683 O HOH A2004 14.884 14.188 26.254 1.00 27.42 O HETATM 1684 O HOH A2005 18.693 8.012 28.355 1.00 66.01 O HETATM 1685 O HOH A2006 21.612 6.127 21.086 1.00 64.54 O HETATM 1686 O HOH A2007 16.537 20.506 17.460 1.00 47.47 O HETATM 1687 O HOH A2008 19.363 16.543 12.755 1.00 55.56 O HETATM 1688 O HOH A2009 6.649 22.585 -2.095 1.00 58.26 O HETATM 1689 O HOH A2010 15.637 22.597 15.880 1.00 59.68 O HETATM 1690 O HOH A2011 -9.568 24.162 22.692 1.00 55.02 O HETATM 1691 O HOH A2012 10.372 17.109 7.357 1.00 65.50 O HETATM 1692 O HOH A2013 11.926 22.259 3.647 1.00 64.07 O HETATM 1693 O HOH A2014 -6.380 -2.654 25.547 1.00 55.48 O HETATM 1694 O HOH A2015 15.974 18.236 2.565 1.00 55.78 O HETATM 1695 O HOH A2016 20.734 8.729 17.475 1.00 82.52 O HETATM 1696 O HOH A2017 8.838 19.866 3.572 1.00 57.95 O HETATM 1697 O HOH A2018 6.137 20.417 -0.686 1.00 61.89 O HETATM 1698 O HOH A2019 0.579 15.458 3.293 1.00 68.13 O HETATM 1699 O HOH A2020 8.939 19.990 8.136 1.00 61.62 O HETATM 1700 O HOH A2021 8.239 18.302 6.152 1.00 60.41 O HETATM 1701 O HOH A2022 -7.526 19.908 41.241 1.00 52.77 O HETATM 1702 O HOH A2023 -2.428 11.377 9.472 1.00 70.76 O HETATM 1703 O HOH A2024 19.404 30.250 19.097 1.00 57.67 O HETATM 1704 O HOH A2025 -8.905 25.701 20.535 1.00 48.89 O HETATM 1705 O HOH A2026 4.132 5.667 11.494 1.00 50.17 O HETATM 1706 O HOH A2027 -2.175 12.699 21.216 1.00 38.51 O HETATM 1707 O HOH A2028 0.842 5.114 18.781 1.00 55.45 O HETATM 1708 O HOH A2029 1.759 4.600 15.891 1.00 57.48 O HETATM 1709 O HOH A2030 -0.135 7.091 24.390 1.00 44.01 O HETATM 1710 O HOH A2031 -8.196 2.300 18.632 1.00 45.84 O HETATM 1711 O HOH A2032 -4.865 1.893 20.500 1.00 46.61 O HETATM 1712 O HOH A2033 14.316 9.229 39.166 1.00 66.11 O HETATM 1713 O HOH A2034 -0.506 6.046 26.604 1.00 39.51 O HETATM 1714 O HOH A2035 -2.705 -0.214 23.184 1.00 49.85 O HETATM 1715 O HOH A2036 -8.230 -1.297 26.867 1.00 51.48 O HETATM 1716 O HOH A2037 1.167 5.583 32.050 1.00 61.86 O HETATM 1717 O HOH A2038 2.056 1.194 33.285 1.00 72.69 O HETATM 1718 O HOH A2039 21.455 7.177 15.455 1.00 71.32 O HETATM 1719 O HOH A2040 -14.424 2.197 23.790 1.00 72.59 O HETATM 1720 O HOH A2041 -15.058 -0.562 35.512 1.00 60.94 O HETATM 1721 O HOH A2042 -10.879 2.474 45.038 1.00 65.94 O HETATM 1722 O HOH A2043 -5.569 -0.814 37.712 1.00 52.81 O HETATM 1723 O HOH A2044 -13.698 5.074 44.619 1.00 62.50 O HETATM 1724 O HOH A2045 -6.421 20.202 37.929 1.00 62.96 O HETATM 1725 O HOH A2046 -13.154 16.784 35.997 1.00 67.77 O HETATM 1726 O HOH A2047 12.452 28.628 22.453 1.00 55.80 O HETATM 1727 O HOH A2048 20.681 28.581 20.625 1.00 62.06 O HETATM 1728 O HOH A2049 -17.028 12.032 31.790 1.00 66.79 O HETATM 1729 O HOH A2050 -16.764 4.244 30.628 1.00 50.76 O HETATM 1730 O HOH A2051 -18.060 11.027 34.390 1.00 78.37 O HETATM 1731 O HOH A2052 -18.625 14.895 24.490 1.00 58.48 O HETATM 1732 O HOH A2053 -13.678 11.609 30.526 1.00 50.04 O HETATM 1733 O HOH A2054 5.004 24.733 41.158 1.00 71.63 O HETATM 1734 O HOH A2055 -16.613 6.195 27.200 1.00 62.37 O HETATM 1735 O HOH A2056 -17.141 16.485 22.491 1.00 55.70 O HETATM 1736 O HOH A2057 -15.491 13.122 20.946 1.00 45.92 O HETATM 1737 O HOH A2058 0.058 29.223 24.467 1.00 59.00 O HETATM 1738 O HOH A2059 -12.471 26.640 17.246 1.00 47.65 O HETATM 1739 O HOH A2060 -11.358 27.088 19.383 1.00 42.36 O HETATM 1740 O HOH A2061 -11.095 31.394 13.816 1.00 98.85 O HETATM 1741 O HOH A2062 -2.712 31.392 19.842 1.00 69.15 O HETATM 1742 O HOH A2063 -0.505 29.902 16.666 1.00 49.10 O HETATM 1743 O HOH A2064 2.324 30.963 11.883 1.00 63.26 O HETATM 1744 O HOH A2065 -5.730 27.527 20.835 1.00 62.89 O HETATM 1745 O HOH A2066 -7.244 24.626 18.712 1.00 39.62 O HETATM 1746 O HOH A2067 -17.529 8.602 13.353 1.00 66.07 O HETATM 1747 O HOH A2068 -4.444 13.819 22.379 1.00 36.90 O HETATM 1748 O HOH A2069 -8.815 15.598 28.845 1.00 50.06 O HETATM 1749 O HOH A2070 -13.972 35.650 12.804 1.00 79.70 O HETATM 1750 O HOH A2071 -4.605 8.580 35.023 1.00 51.98 O HETATM 1751 O HOH A2072 6.515 21.136 39.578 1.00 63.86 O HETATM 1752 O HOH A2073 10.878 12.686 29.161 1.00 43.21 O HETATM 1753 O HOH A2074 1.593 8.126 31.289 1.00 40.47 O HETATM 1754 O HOH A2075 10.251 16.137 27.375 1.00 61.68 O HETATM 1755 O HOH A2076 13.989 13.188 29.197 1.00 65.80 O HETATM 1756 O HOH A2077 11.337 12.112 37.247 1.00 71.63 O HETATM 1757 O HOH A2078 12.899 10.377 37.179 1.00 80.07 O HETATM 1758 O HOH A2079 11.603 13.652 26.442 1.00 46.08 O HETATM 1759 O HOH A2080 16.661 0.644 12.438 1.00 59.74 O HETATM 1760 O HOH A2081 23.065 4.765 13.848 1.00 65.45 O HETATM 1761 O HOH A2082 15.832 1.500 6.447 1.00 62.36 O HETATM 1762 O HOH A2083 4.366 4.759 5.729 1.00 68.04 O HETATM 1763 O HOH A2084 2.924 3.930 17.581 1.00 65.35 O HETATM 1764 O HOH A2085 6.431 -2.403 13.221 1.00 61.09 O HETATM 1765 O HOH A2086 8.457 5.734 22.704 1.00 63.59 O HETATM 1766 O HOH A2087 5.060 6.606 17.884 1.00 48.82 O HETATM 1767 O HOH A2088 5.275 9.190 20.282 1.00 70.51 O HETATM 1768 O HOH A2089 10.835 12.591 24.237 1.00 48.22 O HETATM 1769 O HOH A2090 3.713 30.158 18.360 1.00 60.45 O HETATM 1770 O HOH A2091 1.477 29.375 15.071 1.00 44.57 O HETATM 1771 O HOH A2092 -6.768 11.384 41.050 1.00 57.10 O HETATM 1772 O HOH A2093 -4.476 6.214 36.535 1.00 46.60 O HETATM 1773 O HOH A2094 -3.334 8.438 42.438 1.00 56.20 O HETATM 1774 O HOH A2095 -2.107 6.968 39.878 1.00 79.95 O HETATM 1775 O HOH A2096 5.663 12.475 38.809 1.00 66.44 O HETATM 1776 O HOH A2097 4.769 15.960 40.971 1.00 62.43 O HETATM 1777 O HOH A2098 -0.382 14.742 35.634 1.00 41.17 O HETATM 1778 O HOH A2099 -1.680 21.763 38.642 1.00 66.19 O HETATM 1779 O HOH A2100 -7.289 18.255 36.195 1.00 53.19 O HETATM 1780 O HOH A2101 -3.590 19.994 39.178 1.00 55.61 O HETATM 1781 O HOH A2102 8.227 27.325 23.377 1.00 55.79 O HETATM 1782 O HOH A2103 11.893 25.264 22.890 1.00 51.74 O HETATM 1783 O HOH A2104 17.952 27.333 20.872 1.00 58.75 O HETATM 1784 O HOH A2105 14.771 20.478 19.956 1.00 57.17 O HETATM 1785 O HOH A2106 11.805 26.196 25.857 1.00 63.99 O HETATM 1786 O HOH A2107 5.903 24.685 29.976 1.00 39.93 O HETATM 1787 O HOH A2108 6.076 28.394 30.015 1.00 73.76 O HETATM 1788 O HOH A2109 0.428 27.340 28.884 1.00 65.32 O HETATM 1789 O HOH A2110 5.422 25.119 37.907 1.00 53.47 O HETATM 1790 O HOH A2111 -4.808 25.140 31.091 1.00 58.69 O HETATM 1791 O HOH A2112 -1.025 28.592 36.308 1.00 71.31 O HETATM 1792 O HOH A2113 -5.558 23.329 36.248 1.00 65.85 O HETATM 1793 O HOH A2114 -7.069 23.622 30.230 1.00 46.88 O HETATM 1794 O HOH A2115 -14.352 24.067 29.785 1.00 58.17 O HETATM 1795 O HOH A2116 -6.909 12.834 36.720 1.00 47.62 O HETATM 1796 O HOH A2117 -8.995 15.287 38.248 1.00 65.69 O HETATM 1797 O HOH A2118 -11.200 13.038 31.781 1.00 52.02 O HETATM 1798 O HOH A2119 -1.070 27.079 23.579 1.00 52.23 O HETATM 1799 O HOH A2120 1.761 31.456 19.510 1.00 59.12 O HETATM 1800 O HOH A2121 5.854 29.688 10.117 1.00 56.39 O HETATM 1801 O HOH A2122 6.087 31.266 6.368 1.00 70.30 O HETATM 1802 O HOH A2123 -1.154 24.439 4.145 1.00 54.53 O HETATM 1803 O HOH A2124 0.743 19.628 4.288 1.00 63.34 O HETATM 1804 O HOH A2125 -4.998 27.505 4.195 1.00 65.49 O HETATM 1805 O HOH A2126 -17.260 16.184 11.397 1.00 68.75 O HETATM 1806 O HOH A2127 -10.179 10.708 2.501 1.00 63.79 O HETATM 1807 O HOH A2128 -10.959 13.999 -0.400 1.00 54.71 O HETATM 1808 O HOH A2129 -6.398 13.108 -0.760 1.00 53.81 O HETATM 1809 O HOH A2130 -13.614 13.393 3.401 1.00 57.89 O HETATM 1810 O HOH A2131 -10.165 7.954 2.778 1.00 70.89 O HETATM 1811 O HOH A2132 -5.245 10.318 10.417 1.00 54.75 O HETATM 1812 O HOH A2133 -4.525 7.041 13.901 1.00 52.81 O HETATM 1813 O HOH A2134 -7.636 4.128 7.601 1.00 74.73 O HETATM 1814 O HOH A2135 -15.208 4.434 16.554 1.00 70.60 O HETATM 1815 O HOH A2136 -12.146 0.506 21.578 1.00 53.86 O HETATM 1816 O HOH A2137 -16.371 4.738 18.615 1.00 58.38 O HETATM 1817 O HOH A2138 -15.257 8.160 15.187 1.00 47.76 O HETATM 1818 O HOH A2139 -19.211 15.274 20.574 1.00 54.17 O HETATM 1819 O HOH A2140 -18.587 18.930 13.629 1.00 44.00 O HETATM 1820 O HOH A2141 -17.217 14.516 13.474 1.00 54.69 O HETATM 1821 O HOH A2142 -12.184 18.940 13.023 1.00 55.03 O HETATM 1822 O HOH A2143 -14.750 20.789 24.353 1.00 56.61 O HETATM 1823 O HOH A2144 -15.146 25.440 17.049 1.00 44.51 O HETATM 1824 O HOH A2145 -19.337 27.383 10.637 1.00 74.61 O HETATM 1825 O HOH A2146 -13.656 23.067 7.108 1.00 63.27 O HETATM 1826 O HOH A2147 -13.139 29.425 15.841 1.00 64.44 O HETATM 1827 O HOH A2148 -17.451 31.523 19.802 1.00106.96 O HETATM 1828 O HOH A2149 -10.726 29.118 8.136 1.00 91.77 O HETATM 1829 O HOH A2150 -15.232 33.540 13.154 1.00 89.33 O HETATM 1830 O HOH A2151 -9.765 35.730 7.166 1.00 64.95 O HETATM 1831 O HOH A2152 1.816 7.848 28.787 1.00 45.71 O HETATM 1832 O HOH A2153 0.596 12.421 21.365 1.00 34.89 O HETATM 1833 O HOH A2154 -3.620 10.994 27.512 1.00 42.90 O CONECT 1653 1654 CONECT 1654 1653 1655 CONECT 1655 1654 1656 1657 CONECT 1656 1655 1664 CONECT 1657 1655 1658 1660 CONECT 1658 1657 1659 CONECT 1659 1658 CONECT 1660 1657 1661 1663 CONECT 1661 1660 1662 CONECT 1662 1661 CONECT 1663 1660 1664 CONECT 1664 1656 1663 1665 CONECT 1665 1664 1666 CONECT 1666 1665 1667 1675 CONECT 1667 1666 1668 CONECT 1668 1667 1669 1671 CONECT 1669 1668 1670 1674 CONECT 1670 1669 CONECT 1671 1668 1672 1675 CONECT 1672 1671 1673 CONECT 1673 1672 1674 CONECT 1674 1669 1673 CONECT 1675 1666 1671 1676 CONECT 1676 1675 1677 CONECT 1677 1676 1678 CONECT 1678 1677 1679 CONECT 1679 1678 MASTER 399 0 1 9 8 0 4 6 1832 1 27 17 END If you find results from this site helpful for your research, please cite one of our papers:
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