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*** test ***elNémo ID: 2308140556311416825Job options:ID = 2308140556311416825 JOBID = test 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 test HEADER SIGNALING PROTEIN 14-APR-21 7O83 TITLE KRASG12C LIGAND COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: V-KI-RAS2 KIRSTEN RAT SARCOMA VIRAL ONCOGENE HOMOLOG, COMPND 3 ISOFORM CRA_B; COMPND 4 CHAIN: A, B; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: KRAS, HCG_14731; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS INHIBITOR COMPLEX, SIGNALING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR C.PHILLIPS,J.BREED REVDAT 3 25-MAY-22 7O83 1 JRNL REVDAT 2 11-MAY-22 7O83 1 JRNL REVDAT 1 20-APR-22 7O83 0 JRNL AUTH J.G.KETTLE,S.K.BAGAL,S.BICKERTON,M.S.BODNARCHUK,S.BOYD, JRNL AUTH 2 J.BREED,R.J.CARBAJO,D.J.CASSAR,A.CHAKRABORTY,S.COSULICH, JRNL AUTH 3 I.CUMMING,M.DAVIES,N.L.DAVIES,A.EATHERTON,L.EVANS,L.FERON, JRNL AUTH 4 S.FILLERY,E.S.GLEAVE,F.W.GOLDBERG,L.HANSON,S.HARLFINGER, JRNL AUTH 5 M.HOWARD,R.HOWELLS,A.JACKSON,P.KEMMITT,G.LAMONT,S.LAMONT, JRNL AUTH 6 H.J.LEWIS,L.LIU,M.J.NIEDBALA,C.PHILLIPS,R.POLANSKI,P.RAUBO, JRNL AUTH 7 G.ROBB,D.M.ROBINSON,S.ROSS,M.G.SANDERS,M.TONGE,R.WHITELEY, JRNL AUTH 8 S.WILKINSON,J.YANG,W.ZHANG JRNL TITL DISCOVERY OF AZD4625, A COVALENT ALLOSTERIC INHIBITOR OF THE JRNL TITL 2 MUTANT GTPASE KRAS G12C . JRNL REF J.MED.CHEM. V. 65 6940 2022 JRNL REFN ISSN 0022-2623 JRNL PMID 35471939 JRNL DOI 10.1021/ACS.JMEDCHEM.2C00369 REMARK 2 REMARK 2 RESOLUTION. 2.38 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0238 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) : 2.38 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 37.85 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.4 REMARK 3 NUMBER OF REFLECTIONS : 11932 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) : 0.226 REMARK 3 R VALUE (WORKING SET) : 0.223 REMARK 3 FREE R VALUE : 0.291 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 613 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) : 2.38 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.44 REMARK 3 REFLECTION IN BIN (WORKING SET) : 853 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.37 REMARK 3 BIN R VALUE (WORKING SET) : 0.3160 REMARK 3 BIN FREE R VALUE SET COUNT : 32 REMARK 3 BIN FREE R VALUE : 0.3670 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2671 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 125 REMARK 3 SOLVENT ATOMS : 85 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 17.43 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.10000 REMARK 3 B22 (A**2) : 0.03000 REMARK 3 B33 (A**2) : -0.07000 REMARK 3 B12 (A**2) : -0.11000 REMARK 3 B13 (A**2) : 0.03000 REMARK 3 B23 (A**2) : -0.07000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 1.616 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.350 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.234 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 9.885 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.908 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.835 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2874 ; 0.010 ; 0.013 REMARK 3 BOND LENGTHS OTHERS (A): 2601 ; 0.001 ; 0.017 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3906 ; 1.852 ; 1.690 REMARK 3 BOND ANGLES OTHERS (DEGREES): 6034 ; 1.238 ; 1.621 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 339 ; 7.082 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 156 ;36.936 ;22.564 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 497 ;17.506 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 20 ;16.979 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 374 ; 0.080 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 3441 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 595 ; 0.001 ; 0.020 REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL 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 : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS U VALUES : REFINED INDIVIDUALLY REMARK 4 REMARK 4 7O83 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 14-APR-21. REMARK 100 THE DEPOSITION ID IS D_1292115284. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 01-MAR-17 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I03 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS EIGER R 4M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : AUTOPROC REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11933 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.380 REMARK 200 RESOLUTION RANGE LOW (A) : 38.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.4 REMARK 200 DATA REDUNDANCY : 2.100 REMARK 200 R MERGE (I) : 0.03000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 10.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.38 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.44 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.55000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NA REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 43.62 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 50MM HEPES, 100MM NACL, 2MM MGSO4, REMARK 280 VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z 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 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 LYS B 167 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 33 107.90 -22.93 REMARK 500 ILE A 36 109.46 -58.96 REMARK 500 ALA A 59 -125.46 -148.62 REMARK 500 LYS A 117 42.78 72.33 REMARK 500 ALA B 59 -121.68 -139.77 REMARK 500 GLU B 107 163.94 -47.90 REMARK 500 SER B 122 44.12 -94.62 REMARK 500 SER B 122 44.12 -94.62 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 201 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 17 OG REMARK 620 2 GDP A 202 O3B 84.7 REMARK 620 3 HOH A 301 O 71.7 99.7 REMARK 620 4 HOH A 306 O 163.5 85.3 97.3 REMARK 620 5 HOH A 314 O 92.3 170.5 87.8 99.6 REMARK 620 6 HOH A 321 O 99.4 88.4 167.2 93.3 83.2 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 204 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 63 OE1 REMARK 620 2 GLU A 63 OE2 49.3 REMARK 620 3 GLY A 138 O 3.5 52.6 REMARK 620 4 HOH A 337 O 166.6 144.0 163.2 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG B 201 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER B 17 OG REMARK 620 2 GDP B 202 O1B 87.8 REMARK 620 3 HOH B 322 O 84.4 104.7 REMARK 620 4 HOH B 323 O 175.7 95.9 96.6 REMARK 620 5 HOH B 325 O 77.3 154.7 94.2 98.5 REMARK 620 6 HOH B 327 O 78.4 81.5 161.5 100.2 75.6 REMARK 620 N 1 2 3 4 5 DBREF1 7O83 A 1 166 UNP A0A024RAV5_HUMAN DBREF2 7O83 A A0A024RAV5 1 166 DBREF1 7O83 B 1 166 UNP A0A024RAV5_HUMAN DBREF2 7O83 B A0A024RAV5 1 166 SEQADV 7O83 GLY A 0 UNP A0A024RAV EXPRESSION TAG SEQADV 7O83 CYS A 12 UNP A0A024RAV GLY 12 ENGINEERED MUTATION SEQADV 7O83 SER A 51 UNP A0A024RAV CYS 51 ENGINEERED MUTATION SEQADV 7O83 LEU A 80 UNP A0A024RAV CYS 80 ENGINEERED MUTATION SEQADV 7O83 SER A 118 UNP A0A024RAV CYS 118 ENGINEERED MUTATION SEQADV 7O83 LYS A 167 UNP A0A024RAV EXPRESSION TAG SEQADV 7O83 GLY B 0 UNP A0A024RAV EXPRESSION TAG SEQADV 7O83 CYS B 12 UNP A0A024RAV GLY 12 ENGINEERED MUTATION SEQADV 7O83 SER B 51 UNP A0A024RAV CYS 51 ENGINEERED MUTATION SEQADV 7O83 LEU B 80 UNP A0A024RAV CYS 80 ENGINEERED MUTATION SEQADV 7O83 SER B 118 UNP A0A024RAV CYS 118 ENGINEERED MUTATION SEQADV 7O83 LYS B 167 UNP A0A024RAV EXPRESSION TAG SEQRES 1 A 168 GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA CYS SEQRES 2 A 168 GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN SEQRES 3 A 168 ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SEQRES 4 A 168 SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR SER SEQRES 5 A 168 LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SEQRES 6 A 168 SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY SEQRES 7 A 168 PHE LEU LEU VAL PHE ALA ILE ASN ASN THR LYS SER PHE SEQRES 8 A 168 GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL SEQRES 9 A 168 LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN SEQRES 10 A 168 LYS SER ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN SEQRES 11 A 168 ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE SEQRES 12 A 168 GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA SEQRES 13 A 168 PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS SEQRES 1 B 168 GLY MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA CYS SEQRES 2 B 168 GLY VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN SEQRES 3 B 168 ASN HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SEQRES 4 B 168 SER TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR SER SEQRES 5 B 168 LEU LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SEQRES 6 B 168 SER ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY SEQRES 7 B 168 PHE LEU LEU VAL PHE ALA ILE ASN ASN THR LYS SER PHE SEQRES 8 B 168 GLU ASP ILE HIS HIS TYR ARG GLU GLN ILE LYS ARG VAL SEQRES 9 B 168 LYS ASP SER GLU ASP VAL PRO MET VAL LEU VAL GLY ASN SEQRES 10 B 168 LYS SER ASP LEU PRO SER ARG THR VAL ASP THR LYS GLN SEQRES 11 B 168 ALA GLN ASP LEU ALA ARG SER TYR GLY ILE PRO PHE ILE SEQRES 12 B 168 GLU THR SER ALA LYS THR ARG GLN GLY VAL ASP ASP ALA SEQRES 13 B 168 PHE TYR THR LEU VAL ARG GLU ILE ARG LYS HIS LYS HET MG A 201 1 HET GDP A 202 28 HET V52 A 203 33 HET CA A 204 1 HET MG B 201 1 HET GDP B 202 28 HET V52 B 203 33 HETNAM MG MAGNESIUM ION HETNAM GDP GUANOSINE-5'-DIPHOSPHATE HETNAM V52 1-[(7S)-11-CHLORO-12-(5-METHYL-1H-INDAZOL-4-YL)-9-OXA- HETNAM 2 V52 2,5,15,17-TETRAZATETRACYCLO[8.7.1.02,7.014, HETNAM 3 V52 18]OCTADECA-1(17),10,12,14(18),15-PENTAEN-5-YL]PROP-2- HETNAM 4 V52 EN-1-ONE HETNAM CA CALCIUM ION FORMUL 3 MG 2(MG 2+) FORMUL 4 GDP 2(C10 H15 N5 O11 P2) FORMUL 5 V52 2(C24 H23 CL N6 O2) FORMUL 6 CA CA 2+ FORMUL 10 HOH *85(H2 O) HELIX 1 AA1 GLY A 15 ASN A 26 1 12 HELIX 2 AA2 SER A 65 GLY A 75 1 11 HELIX 3 AA3 ASN A 86 ASP A 92 1 7 HELIX 4 AA4 ASP A 92 ASP A 105 1 14 HELIX 5 AA5 ASP A 126 GLY A 138 1 13 HELIX 6 AA6 GLY A 151 HIS A 166 1 16 HELIX 7 AA7 GLY B 15 ASN B 26 1 12 HELIX 8 AA8 SER B 65 GLY B 75 1 11 HELIX 9 AA9 ASN B 86 ASP B 92 1 7 HELIX 10 AB1 ASP B 92 LYS B 104 1 13 HELIX 11 AB2 ASP B 126 GLY B 138 1 13 HELIX 12 AB3 GLY B 151 HIS B 166 1 16 SHEET 1 AA1 6 ASP A 38 ILE A 46 0 SHEET 2 AA1 6 GLU A 49 ASP A 57 -1 O SER A 51 N VAL A 44 SHEET 3 AA1 6 THR A 2 VAL A 9 1 N LEU A 6 O LEU A 56 SHEET 4 AA1 6 GLY A 77 ALA A 83 1 O VAL A 81 N VAL A 9 SHEET 5 AA1 6 MET A 111 ASN A 116 1 O ASN A 116 N PHE A 82 SHEET 6 AA1 6 PHE A 141 GLU A 143 1 O ILE A 142 N LEU A 113 SHEET 1 AA2 6 ASP B 38 ILE B 46 0 SHEET 2 AA2 6 GLU B 49 ASP B 57 -1 O ASP B 57 N ASP B 38 SHEET 3 AA2 6 THR B 2 VAL B 9 1 N TYR B 4 O ASP B 54 SHEET 4 AA2 6 GLY B 77 ALA B 83 1 O VAL B 81 N VAL B 9 SHEET 5 AA2 6 MET B 111 ASN B 116 1 O VAL B 112 N LEU B 80 SHEET 6 AA2 6 PHE B 141 GLU B 143 1 O ILE B 142 N LEU B 113 LINK SG CYS A 12 C V52 A 203 1555 1555 1.65 LINK SG CYS B 12 C V52 B 203 1555 1555 1.58 LINK OG SER A 17 MG MG A 201 1555 1555 2.42 LINK OE1 GLU A 63 CA CA A 204 1555 1555 2.26 LINK OE2 GLU A 63 CA CA A 204 1555 1555 2.81 LINK O GLY A 138 CA CA A 204 1555 1455 2.34 LINK MG MG A 201 O3B GDP A 202 1555 1555 2.24 LINK MG MG A 201 O HOH A 301 1555 1555 2.42 LINK MG MG A 201 O HOH A 306 1555 1555 2.52 LINK MG MG A 201 O HOH A 314 1555 1555 2.24 LINK MG MG A 201 O HOH A 321 1555 1555 2.09 LINK CA CA A 204 O HOH A 337 1555 1655 2.74 LINK OG SER B 17 MG MG B 201 1555 1555 2.43 LINK MG MG B 201 O1B GDP B 202 1555 1555 2.15 LINK MG MG B 201 O HOH B 322 1555 1555 2.12 LINK MG MG B 201 O HOH B 323 1555 1555 2.12 LINK MG MG B 201 O HOH B 325 1555 1555 2.20 LINK MG MG B 201 O HOH B 327 1555 1555 2.11 CRYST1 33.509 39.227 65.721 96.39 95.01 103.15 P 1 2 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 0.029843 0.006972 0.003592 0.00000 SCALE2 0.000000 0.026179 0.003573 0.00000 SCALE3 0.000000 0.000000 0.015416 0.00000 ATOM 1 N GLY A 0 -24.043 -35.955 1.676 1.00 48.75 N ATOM 2 CA GLY A 0 -24.582 -35.386 2.951 1.00 50.64 C ATOM 3 C GLY A 0 -25.122 -33.978 2.759 1.00 52.49 C ATOM 4 O GLY A 0 -26.263 -33.854 2.267 1.00 54.79 O ATOM 5 N MET A 1 -24.329 -32.955 3.111 1.00 53.26 N ATOM 6 CA MET A 1 -24.744 -31.523 3.082 1.00 49.13 C ATOM 7 C MET A 1 -24.149 -30.817 1.855 1.00 44.51 C ATOM 8 O MET A 1 -23.007 -31.110 1.476 1.00 47.41 O ATOM 9 CB MET A 1 -24.365 -30.787 4.374 1.00 49.09 C ATOM 10 CG MET A 1 -22.902 -30.470 4.548 1.00 46.82 C ATOM 11 SD MET A 1 -22.733 -29.213 5.845 1.00 48.04 S ATOM 12 CE MET A 1 -21.410 -29.915 6.830 1.00 46.37 C ATOM 13 N GLY A 2 -24.929 -29.907 1.262 0.50 43.41 N ATOM 15 CA GLY A 2 -24.628 -29.195 -0.007 0.50 39.36 C ATOM 17 C GLY A 2 -23.418 -28.277 0.186 0.50 36.54 C ATOM 19 O GLY A 2 -23.243 -27.732 1.289 0.50 36.28 O ATOM 21 CB GLY A 2 -25.819 -28.349 -0.478 0.50 38.98 C ATOM 23 OG1 GLY A 2 -27.034 -28.992 -0.103 0.50 38.18 O ATOM 25 CG2 GLY A 2 -25.820 -28.119 -1.972 0.50 40.08 C ATOM 27 N GLU A 3 -22.630 -28.099 -0.867 1.00 33.77 N ATOM 28 CA GLU A 3 -21.556 -27.095 -0.893 1.00 31.59 C ATOM 29 C GLU A 3 -21.835 -26.152 -2.061 1.00 27.67 C ATOM 30 O GLU A 3 -22.338 -26.603 -3.120 1.00 25.24 O ATOM 31 CB GLU A 3 -20.191 -27.763 -0.992 1.00 35.44 C ATOM 32 CG GLU A 3 -19.046 -26.761 -1.024 1.00 39.70 C ATOM 33 CD GLU A 3 -17.675 -27.382 -1.246 1.00 41.74 C ATOM 34 OE1 GLU A 3 -17.271 -28.199 -0.393 1.00 37.21 O ATOM 35 OE2 GLU A 3 -17.021 -27.051 -2.276 1.00 45.32 O ATOM 36 N TYR A 4 -21.523 -24.883 -1.838 1.00 23.62 N ATOM 37 CA TYR A 4 -21.589 -23.794 -2.825 1.00 21.68 C ATOM 38 C TYR A 4 -20.184 -23.193 -2.987 1.00 21.46 C ATOM 39 O TYR A 4 -19.573 -22.823 -1.956 1.00 19.20 O ATOM 40 CB TYR A 4 -22.588 -22.759 -2.333 1.00 21.22 C ATOM 41 CG TYR A 4 -23.991 -23.260 -2.123 1.00 21.75 C ATOM 42 CD1 TYR A 4 -24.879 -23.360 -3.185 1.00 20.96 C ATOM 43 CD2 TYR A 4 -24.456 -23.571 -0.849 1.00 22.19 C ATOM 44 CE1 TYR A 4 -26.179 -23.799 -2.994 1.00 21.39 C ATOM 45 CE2 TYR A 4 -25.751 -24.027 -0.645 1.00 21.31 C ATOM 46 CZ TYR A 4 -26.613 -24.134 -1.720 1.00 21.41 C ATOM 47 OH TYR A 4 -27.900 -24.526 -1.511 1.00 22.75 O ATOM 48 N LYS A 5 -19.701 -23.111 -4.234 1.00 20.44 N ATOM 49 CA LYS A 5 -18.498 -22.338 -4.619 1.00 20.97 C ATOM 50 C LYS A 5 -18.959 -20.921 -4.921 1.00 17.33 C ATOM 51 O LYS A 5 -19.642 -20.747 -5.921 1.00 16.92 O ATOM 52 CB LYS A 5 -17.780 -22.947 -5.829 1.00 24.60 C ATOM 53 CG LYS A 5 -17.150 -24.307 -5.574 1.00 28.21 C ATOM 54 CD LYS A 5 -17.543 -25.373 -6.594 1.00 31.73 C ATOM 55 CE LYS A 5 -17.633 -26.762 -5.998 1.00 34.57 C ATOM 56 NZ LYS A 5 -18.765 -26.909 -5.042 1.00 36.29 N ATOM 57 N LEU A 6 -18.648 -19.982 -4.028 1.00 16.41 N ATOM 58 CA LEU A 6 -18.828 -18.514 -4.201 1.00 15.17 C ATOM 59 C LEU A 6 -17.463 -17.917 -4.538 1.00 14.17 C ATOM 60 O LEU A 6 -16.477 -18.248 -3.814 1.00 14.23 O ATOM 61 CB LEU A 6 -19.351 -17.861 -2.915 1.00 14.62 C ATOM 62 CG LEU A 6 -20.428 -18.621 -2.159 1.00 14.57 C ATOM 63 CD1 LEU A 6 -20.954 -17.778 -1.003 1.00 14.58 C ATOM 64 CD2 LEU A 6 -21.549 -19.024 -3.102 1.00 14.60 C ATOM 65 N VAL A 7 -17.429 -17.034 -5.532 1.00 12.73 N ATOM 66 CA VAL A 7 -16.217 -16.266 -5.937 1.00 13.01 C ATOM 67 C VAL A 7 -16.515 -14.774 -5.682 1.00 13.10 C ATOM 68 O VAL A 7 -17.586 -14.336 -6.103 1.00 13.68 O ATOM 69 CB VAL A 7 -15.879 -16.546 -7.419 1.00 12.20 C ATOM 70 CG1 VAL A 7 -14.620 -15.821 -7.850 1.00 12.15 C ATOM 71 CG2 VAL A 7 -15.784 -18.033 -7.718 1.00 11.92 C ATOM 72 N VAL A 8 -15.622 -14.021 -5.031 1.00 12.40 N ATOM 73 CA VAL A 8 -15.815 -12.576 -4.724 1.00 12.07 C ATOM 74 C VAL A 8 -14.836 -11.808 -5.622 1.00 11.96 C ATOM 75 O VAL A 8 -13.647 -11.988 -5.448 1.00 12.41 O ATOM 76 CB VAL A 8 -15.642 -12.286 -3.215 1.00 12.33 C ATOM 77 CG1 VAL A 8 -15.779 -10.805 -2.870 1.00 11.77 C ATOM 78 CG2 VAL A 8 -16.592 -13.128 -2.360 1.00 12.03 C ATOM 79 N VAL A 9 -15.340 -11.059 -6.611 1.00 11.84 N ATOM 80 CA VAL A 9 -14.550 -10.244 -7.583 1.00 11.88 C ATOM 81 C VAL A 9 -14.891 -8.761 -7.405 1.00 12.16 C ATOM 82 O VAL A 9 -16.013 -8.410 -6.970 1.00 12.68 O ATOM 83 CB VAL A 9 -14.752 -10.686 -9.044 1.00 11.74 C ATOM 84 CG1 VAL A 9 -14.180 -12.068 -9.277 1.00 12.18 C ATOM 85 CG2 VAL A 9 -16.212 -10.631 -9.470 1.00 12.32 C ATOM 86 N GLY A 10 -13.948 -7.918 -7.799 1.00 12.41 N ATOM 87 CA GLY A 10 -14.002 -6.462 -7.622 1.00 11.79 C ATOM 88 C GLY A 10 -12.599 -5.900 -7.628 1.00 11.51 C ATOM 89 O GLY A 10 -11.634 -6.703 -7.455 1.00 11.02 O ATOM 90 N ALA A 11 -12.505 -4.588 -7.830 1.00 11.53 N ATOM 91 CA ALA A 11 -11.247 -3.827 -7.947 1.00 12.29 C ATOM 92 C ALA A 11 -10.531 -3.838 -6.606 1.00 12.28 C ATOM 93 O ALA A 11 -11.163 -4.040 -5.560 1.00 12.99 O ATOM 94 CB ALA A 11 -11.489 -2.403 -8.396 1.00 12.59 C ATOM 95 N CYS A 12 -9.231 -3.645 -6.672 1.00 12.67 N ATOM 96 CA CYS A 12 -8.369 -3.437 -5.497 1.00 12.69 C ATOM 97 C CYS A 12 -9.045 -2.527 -4.500 1.00 11.33 C ATOM 98 O CYS A 12 -9.608 -1.545 -4.953 1.00 10.38 O ATOM 99 CB CYS A 12 -7.062 -2.801 -5.914 1.00 13.85 C ATOM 100 SG CYS A 12 -5.741 -4.003 -5.744 1.00 16.70 S ATOM 101 N GLY A 13 -8.970 -2.895 -3.214 1.00 10.96 N ATOM 102 CA GLY A 13 -9.418 -2.104 -2.051 1.00 10.40 C ATOM 103 C GLY A 13 -10.917 -1.793 -2.016 1.00 9.75 C ATOM 104 O GLY A 13 -11.259 -0.779 -1.369 1.00 10.13 O ATOM 105 N VAL A 14 -11.795 -2.621 -2.595 1.00 8.93 N ATOM 106 CA VAL A 14 -13.284 -2.456 -2.464 1.00 8.85 C ATOM 107 C VAL A 14 -13.834 -3.113 -1.175 1.00 8.92 C ATOM 108 O VAL A 14 -14.985 -2.813 -0.819 1.00 8.83 O ATOM 109 CB VAL A 14 -14.052 -2.941 -3.710 1.00 8.50 C ATOM 110 CG1 VAL A 14 -13.764 -2.079 -4.920 1.00 8.45 C ATOM 111 CG2 VAL A 14 -13.824 -4.407 -4.032 1.00 8.73 C ATOM 112 N GLY A 15 -13.067 -3.970 -0.494 1.00 8.92 N ATOM 113 CA GLY A 15 -13.515 -4.706 0.705 1.00 9.13 C ATOM 114 C GLY A 15 -13.832 -6.174 0.433 1.00 9.42 C ATOM 115 O GLY A 15 -14.544 -6.757 1.213 1.00 9.27 O ATOM 116 N LYS A 16 -13.295 -6.800 -0.612 1.00 9.99 N ATOM 117 CA LYS A 16 -13.573 -8.238 -0.853 1.00 10.51 C ATOM 118 C LYS A 16 -13.174 -9.079 0.373 1.00 11.25 C ATOM 119 O LYS A 16 -14.008 -9.835 0.845 1.00 11.26 O ATOM 120 CB LYS A 16 -12.865 -8.696 -2.121 1.00 10.59 C ATOM 121 CG LYS A 16 -13.304 -7.971 -3.392 1.00 10.71 C ATOM 122 CD LYS A 16 -12.480 -8.324 -4.602 1.00 10.41 C ATOM 123 CE LYS A 16 -11.001 -8.115 -4.388 1.00 10.23 C ATOM 124 NZ LYS A 16 -10.632 -6.703 -4.540 1.00 10.28 N ATOM 125 N SER A 17 -11.932 -8.985 0.844 1.00 11.85 N ATOM 126 CA SER A 17 -11.370 -9.858 1.908 1.00 12.61 C ATOM 127 C SER A 17 -12.057 -9.555 3.255 1.00 12.77 C ATOM 128 O SER A 17 -12.358 -10.521 3.991 1.00 12.76 O ATOM 129 CB SER A 17 -9.866 -9.702 1.970 1.00 12.96 C ATOM 130 OG SER A 17 -9.290 -10.078 0.721 1.00 13.19 O ATOM 131 N ALA A 18 -12.338 -8.264 3.507 1.00 12.38 N ATOM 132 CA ALA A 18 -13.078 -7.701 4.653 1.00 11.95 C ATOM 133 C ALA A 18 -14.499 -8.276 4.740 1.00 12.54 C ATOM 134 O ALA A 18 -14.919 -8.686 5.853 1.00 11.47 O ATOM 135 CB ALA A 18 -13.123 -6.213 4.505 1.00 12.13 C ATOM 136 N LEU A 19 -15.222 -8.288 3.607 1.00 12.74 N ATOM 137 CA LEU A 19 -16.568 -8.909 3.487 1.00 12.62 C ATOM 138 C LEU A 19 -16.473 -10.400 3.841 1.00 12.96 C ATOM 139 O LEU A 19 -17.168 -10.824 4.793 1.00 12.67 O ATOM 140 CB LEU A 19 -17.123 -8.696 2.069 1.00 12.30 C ATOM 141 CG LEU A 19 -17.707 -7.307 1.794 1.00 11.91 C ATOM 142 CD1 LEU A 19 -17.895 -7.083 0.295 1.00 12.44 C ATOM 143 CD2 LEU A 19 -19.011 -7.067 2.559 1.00 11.62 C ATOM 144 N THR A 20 -15.650 -11.147 3.097 1.00 13.53 N ATOM 145 CA THR A 20 -15.469 -12.617 3.176 1.00 14.21 C ATOM 146 C THR A 20 -15.031 -12.995 4.597 1.00 15.13 C ATOM 147 O THR A 20 -15.710 -13.808 5.207 1.00 15.60 O ATOM 148 CB THR A 20 -14.432 -13.081 2.143 1.00 15.42 C ATOM 149 OG1 THR A 20 -14.882 -12.782 0.818 1.00 14.18 O ATOM 150 CG2 THR A 20 -14.105 -14.555 2.275 1.00 15.43 C ATOM 151 N ILE A 21 -13.981 -12.361 5.133 1.00 16.37 N ATOM 152 CA ILE A 21 -13.539 -12.521 6.556 1.00 16.06 C ATOM 153 C ILE A 21 -14.670 -12.159 7.544 1.00 16.08 C ATOM 154 O ILE A 21 -14.800 -12.875 8.543 1.00 16.74 O ATOM 155 CB ILE A 21 -12.229 -11.754 6.833 1.00 16.44 C ATOM 156 CG1 ILE A 21 -11.095 -12.146 5.878 1.00 16.93 C ATOM 157 CG2 ILE A 21 -11.790 -11.923 8.284 1.00 16.46 C ATOM 158 CD1 ILE A 21 -10.649 -13.584 5.974 1.00 17.12 C ATOM 159 N GLN A 22 -15.474 -11.113 7.339 1.00 16.29 N ATOM 160 CA GLN A 22 -16.612 -10.830 8.270 1.00 16.99 C ATOM 161 C GLN A 22 -17.632 -11.978 8.251 1.00 17.76 C ATOM 162 O GLN A 22 -18.119 -12.343 9.312 1.00 18.88 O ATOM 163 CB GLN A 22 -17.348 -9.531 7.952 1.00 16.17 C ATOM 164 CG GLN A 22 -16.865 -8.352 8.770 1.00 16.52 C ATOM 165 CD GLN A 22 -17.384 -8.236 10.189 1.00 16.80 C ATOM 166 OE1 GLN A 22 -17.777 -9.209 10.854 1.00 16.84 O ATOM 167 NE2 GLN A 22 -17.360 -7.004 10.672 1.00 16.01 N ATOM 168 N LEU A 23 -18.011 -12.465 7.078 1.00 19.73 N ATOM 169 CA LEU A 23 -18.945 -13.608 6.922 1.00 21.02 C ATOM 170 C LEU A 23 -18.359 -14.797 7.701 1.00 22.71 C ATOM 171 O LEU A 23 -18.985 -15.250 8.663 1.00 23.91 O ATOM 172 CB LEU A 23 -19.090 -13.864 5.417 1.00 22.15 C ATOM 173 CG LEU A 23 -20.176 -14.825 4.919 1.00 22.79 C ATOM 174 CD1 LEU A 23 -19.614 -16.224 4.800 1.00 23.81 C ATOM 175 CD2 LEU A 23 -21.451 -14.810 5.768 1.00 22.17 C ATOM 176 N ILE A 24 -17.138 -15.209 7.379 1.00 23.97 N ATOM 177 CA ILE A 24 -16.490 -16.438 7.926 1.00 24.07 C ATOM 178 C ILE A 24 -16.148 -16.217 9.408 1.00 24.67 C ATOM 179 O ILE A 24 -16.674 -16.974 10.231 1.00 26.46 O ATOM 180 CB ILE A 24 -15.241 -16.841 7.108 1.00 23.86 C ATOM 181 CG1 ILE A 24 -15.520 -16.893 5.608 1.00 22.48 C ATOM 182 CG2 ILE A 24 -14.652 -18.154 7.613 1.00 23.75 C ATOM 183 CD1 ILE A 24 -16.501 -17.941 5.185 1.00 22.77 C ATOM 184 N GLN A 25 -15.331 -15.209 9.737 1.00 24.73 N ATOM 185 CA GLN A 25 -14.624 -15.102 11.043 1.00 24.08 C ATOM 186 C GLN A 25 -15.257 -14.055 11.992 1.00 24.99 C ATOM 187 O GLN A 25 -14.786 -13.943 13.143 1.00 25.29 O ATOM 188 CB GLN A 25 -13.145 -14.812 10.775 1.00 24.69 C ATOM 189 CG GLN A 25 -12.363 -15.988 10.189 1.00 25.45 C ATOM 190 CD GLN A 25 -10.913 -15.620 9.935 1.00 26.15 C ATOM 191 OE1 GLN A 25 -10.348 -15.849 8.860 1.00 23.74 O ATOM 192 NE2 GLN A 25 -10.286 -15.034 10.941 1.00 25.34 N ATOM 193 N ASN A 26 -16.281 -13.312 11.582 1.00 24.81 N ATOM 194 CA ASN A 26 -17.058 -12.385 12.462 1.00 26.78 C ATOM 195 C ASN A 26 -16.167 -11.282 13.083 1.00 24.44 C ATOM 196 O ASN A 26 -16.403 -10.942 14.261 1.00 23.77 O ATOM 197 CB ASN A 26 -17.853 -13.161 13.522 1.00 31.28 C ATOM 198 CG ASN A 26 -18.865 -14.131 12.926 1.00 37.64 C ATOM 199 OD1 ASN A 26 -18.524 -15.279 12.620 1.00 41.79 O ATOM 200 ND2 ASN A 26 -20.117 -13.699 12.776 1.00 36.31 N ATOM 201 N HIS A 27 -15.213 -10.717 12.315 1.00 21.90 N ATOM 202 CA HIS A 27 -14.463 -9.460 12.612 1.00 20.82 C ATOM 203 C HIS A 27 -14.140 -8.695 11.310 1.00 20.24 C ATOM 204 O HIS A 27 -14.180 -9.308 10.235 1.00 18.42 O ATOM 205 CB HIS A 27 -13.219 -9.742 13.481 1.00 19.17 C ATOM 206 CG HIS A 27 -12.120 -10.480 12.788 1.00 18.78 C ATOM 207 ND1 HIS A 27 -12.148 -11.855 12.588 1.00 18.93 N ATOM 208 CD2 HIS A 27 -10.974 -10.044 12.223 1.00 18.57 C ATOM 209 CE1 HIS A 27 -11.080 -12.218 11.907 1.00 18.58 C ATOM 210 NE2 HIS A 27 -10.333 -11.124 11.676 1.00 18.09 N ATOM 211 N PHE A 28 -13.810 -7.396 11.442 1.00 21.85 N ATOM 212 CA PHE A 28 -13.407 -6.423 10.375 1.00 20.63 C ATOM 213 C PHE A 28 -11.869 -6.277 10.286 1.00 21.98 C ATOM 214 O PHE A 28 -11.214 -5.837 11.280 1.00 20.34 O ATOM 215 CB PHE A 28 -14.071 -5.065 10.646 1.00 18.88 C ATOM 216 CG PHE A 28 -13.731 -3.953 9.680 1.00 18.43 C ATOM 217 CD1 PHE A 28 -13.912 -4.106 8.309 1.00 17.94 C ATOM 218 CD2 PHE A 28 -13.265 -2.726 10.144 1.00 18.34 C ATOM 219 CE1 PHE A 28 -13.619 -3.079 7.419 1.00 17.80 C ATOM 220 CE2 PHE A 28 -12.941 -1.704 9.256 1.00 17.84 C ATOM 221 CZ PHE A 28 -13.111 -1.885 7.894 1.00 18.52 C ATOM 222 N VAL A 29 -11.301 -6.563 9.104 1.00 24.31 N ATOM 223 CA VAL A 29 -9.846 -6.416 8.816 1.00 28.42 C ATOM 224 C VAL A 29 -9.557 -5.001 8.316 1.00 32.56 C ATOM 225 O VAL A 29 -10.218 -4.573 7.339 1.00 36.08 O ATOM 226 CB VAL A 29 -9.344 -7.449 7.799 1.00 30.00 C ATOM 227 CG1 VAL A 29 -7.834 -7.455 7.742 1.00 32.27 C ATOM 228 CG2 VAL A 29 -9.848 -8.837 8.115 1.00 33.13 C ATOM 229 N ASP A 30 -8.559 -4.343 8.923 1.00 34.98 N ATOM 230 CA ASP A 30 -8.156 -2.939 8.635 1.00 35.88 C ATOM 231 C ASP A 30 -7.230 -2.900 7.418 1.00 35.30 C ATOM 232 O ASP A 30 -7.467 -2.051 6.537 1.00 33.09 O ATOM 233 CB ASP A 30 -7.483 -2.275 9.843 1.00 37.84 C ATOM 234 CG ASP A 30 -8.366 -1.262 10.547 1.00 41.34 C ATOM 235 OD1 ASP A 30 -9.591 -1.274 10.289 1.00 43.87 O ATOM 236 OD2 ASP A 30 -7.823 -0.453 11.343 1.00 45.04 O ATOM 237 N GLU A 31 -6.194 -3.743 7.388 1.00 35.73 N ATOM 238 CA GLU A 31 -5.110 -3.643 6.377 1.00 39.23 C ATOM 239 C GLU A 31 -4.717 -5.057 5.969 1.00 38.31 C ATOM 240 O GLU A 31 -3.597 -5.476 6.334 1.00 39.43 O ATOM 241 CB GLU A 31 -3.876 -2.896 6.909 1.00 43.96 C ATOM 242 CG GLU A 31 -4.161 -1.678 7.789 1.00 47.98 C ATOM 243 CD GLU A 31 -4.329 -0.337 7.084 1.00 50.00 C ATOM 244 OE1 GLU A 31 -4.165 -0.289 5.832 1.00 48.69 O ATOM 245 OE2 GLU A 31 -4.619 0.664 7.796 1.00 47.98 O ATOM 246 N TYR A 32 -5.609 -5.752 5.251 1.00 35.81 N ATOM 247 CA TYR A 32 -5.404 -7.141 4.758 1.00 31.27 C ATOM 248 C TYR A 32 -4.484 -7.132 3.527 1.00 29.17 C ATOM 249 O TYR A 32 -4.797 -6.529 2.484 1.00 27.85 O ATOM 250 CB TYR A 32 -6.731 -7.836 4.434 1.00 32.63 C ATOM 251 CG TYR A 32 -6.643 -9.343 4.433 1.00 32.27 C ATOM 252 CD1 TYR A 32 -6.534 -10.043 5.629 1.00 31.88 C ATOM 253 CD2 TYR A 32 -6.649 -10.070 3.252 1.00 30.02 C ATOM 254 CE1 TYR A 32 -6.442 -11.423 5.655 1.00 32.08 C ATOM 255 CE2 TYR A 32 -6.550 -11.454 3.258 1.00 30.96 C ATOM 256 CZ TYR A 32 -6.442 -12.131 4.466 1.00 32.22 C ATOM 257 OH TYR A 32 -6.340 -13.490 4.535 1.00 32.13 O ATOM 258 N ASP A 33 -3.337 -7.777 3.688 1.00 27.81 N ATOM 259 CA ASP A 33 -2.419 -8.236 2.621 1.00 28.30 C ATOM 260 C ASP A 33 -3.184 -8.389 1.307 1.00 28.44 C ATOM 261 O ASP A 33 -3.993 -9.305 1.166 1.00 27.62 O ATOM 262 CB ASP A 33 -1.781 -9.545 3.079 1.00 28.20 C ATOM 263 CG ASP A 33 -0.696 -10.058 2.164 1.00 27.65 C ATOM 264 OD1 ASP A 33 -0.791 -9.799 0.936 1.00 27.33 O ATOM 265 OD2 ASP A 33 0.214 -10.736 2.695 1.00 27.95 O ATOM 266 N PRO A 34 -2.968 -7.484 0.318 1.00 28.14 N ATOM 267 CA PRO A 34 -3.720 -7.512 -0.946 1.00 27.57 C ATOM 268 C PRO A 34 -3.282 -8.493 -2.059 1.00 27.88 C ATOM 269 O PRO A 34 -3.828 -8.402 -3.140 1.00 26.51 O ATOM 270 CB PRO A 34 -3.542 -6.062 -1.442 1.00 26.67 C ATOM 271 CG PRO A 34 -2.159 -5.687 -0.958 1.00 27.45 C ATOM 272 CD PRO A 34 -2.069 -6.317 0.414 1.00 26.92 C ATOM 273 N THR A 35 -2.326 -9.392 -1.804 1.00 28.41 N ATOM 274 CA THR A 35 -1.855 -10.415 -2.777 1.00 28.80 C ATOM 275 C THR A 35 -2.470 -11.784 -2.452 1.00 27.06 C ATOM 276 O THR A 35 -2.593 -12.612 -3.397 1.00 25.78 O ATOM 277 CB THR A 35 -0.319 -10.444 -2.844 1.00 32.02 C ATOM 278 OG1 THR A 35 0.278 -10.302 -1.545 1.00 34.49 O ATOM 279 CG2 THR A 35 0.187 -9.349 -3.757 1.00 33.25 C ATOM 280 N ILE A 36 -2.856 -11.996 -1.186 1.00 25.71 N ATOM 281 CA ILE A 36 -3.478 -13.254 -0.667 1.00 25.55 C ATOM 282 C ILE A 36 -4.761 -13.506 -1.457 1.00 22.32 C ATOM 283 O ILE A 36 -5.710 -12.729 -1.302 1.00 19.25 O ATOM 284 CB ILE A 36 -3.767 -13.205 0.853 1.00 26.21 C ATOM 285 CG1 ILE A 36 -2.558 -12.740 1.665 1.00 27.73 C ATOM 286 CG2 ILE A 36 -4.270 -14.551 1.347 1.00 25.78 C ATOM 287 CD1 ILE A 36 -1.302 -13.536 1.402 1.00 28.42 C ATOM 288 N GLU A 37 -4.734 -14.530 -2.300 1.00 22.84 N ATOM 289 CA GLU A 37 -5.915 -15.155 -2.939 1.00 24.68 C ATOM 290 C GLU A 37 -6.072 -16.529 -2.299 1.00 27.17 C ATOM 291 O GLU A 37 -5.215 -17.389 -2.573 1.00 28.11 O ATOM 292 CB GLU A 37 -5.709 -15.268 -4.446 1.00 24.74 C ATOM 293 CG GLU A 37 -6.927 -15.754 -5.194 1.00 27.01 C ATOM 294 CD GLU A 37 -6.751 -15.753 -6.701 1.00 28.59 C ATOM 295 OE1 GLU A 37 -7.288 -14.841 -7.374 1.00 28.31 O ATOM 296 OE2 GLU A 37 -6.055 -16.655 -7.192 1.00 35.22 O ATOM 297 N ASP A 38 -7.079 -16.716 -1.441 1.00 28.84 N ATOM 298 CA ASP A 38 -7.310 -18.009 -0.748 1.00 29.78 C ATOM 299 C ASP A 38 -8.799 -18.340 -0.815 1.00 27.50 C ATOM 300 O ASP A 38 -9.580 -17.515 -1.282 1.00 28.95 O ATOM 301 CB ASP A 38 -6.755 -17.999 0.688 1.00 31.43 C ATOM 302 CG ASP A 38 -6.293 -19.360 1.218 1.00 33.36 C ATOM 303 OD1 ASP A 38 -6.082 -20.292 0.408 1.00 35.99 O ATOM 304 OD2 ASP A 38 -6.165 -19.499 2.442 1.00 33.26 O ATOM 305 N SER A 39 -9.147 -19.532 -0.353 1.00 26.71 N ATOM 306 CA SER A 39 -10.509 -20.112 -0.323 1.00 26.24 C ATOM 307 C SER A 39 -10.916 -20.241 1.154 1.00 25.21 C ATOM 308 O SER A 39 -10.102 -20.772 1.895 1.00 28.07 O ATOM 309 CB SER A 39 -10.445 -21.421 -1.040 1.00 25.58 C ATOM 310 OG SER A 39 -11.572 -21.598 -1.858 1.00 28.80 O ATOM 311 N TYR A 40 -12.044 -19.668 1.596 1.00 24.98 N ATOM 312 CA TYR A 40 -12.517 -19.700 3.012 1.00 24.73 C ATOM 313 C TYR A 40 -13.834 -20.489 3.088 1.00 25.92 C ATOM 314 O TYR A 40 -14.747 -20.308 2.266 1.00 24.70 O ATOM 315 CB TYR A 40 -12.653 -18.283 3.599 1.00 24.94 C ATOM 316 CG TYR A 40 -11.415 -17.418 3.499 1.00 23.34 C ATOM 317 CD1 TYR A 40 -11.126 -16.753 2.323 1.00 22.67 C ATOM 318 CD2 TYR A 40 -10.520 -17.269 4.553 1.00 22.99 C ATOM 319 CE1 TYR A 40 -9.992 -15.967 2.183 1.00 22.48 C ATOM 320 CE2 TYR A 40 -9.370 -16.493 4.424 1.00 23.35 C ATOM 321 CZ TYR A 40 -9.099 -15.841 3.227 1.00 22.21 C ATOM 322 OH TYR A 40 -7.987 -15.071 3.018 1.00 21.85 O ATOM 323 N ARG A 41 -13.960 -21.377 4.068 1.00 30.49 N ATOM 324 CA ARG A 41 -15.184 -22.208 4.223 1.00 32.29 C ATOM 325 C ARG A 41 -15.954 -21.812 5.482 1.00 30.46 C ATOM 326 O ARG A 41 -15.317 -21.366 6.454 1.00 28.94 O ATOM 327 CB ARG A 41 -14.811 -23.681 4.219 1.00 35.76 C ATOM 328 CG ARG A 41 -14.388 -24.156 2.841 1.00 42.16 C ATOM 329 CD ARG A 41 -13.943 -25.594 2.889 1.00 48.87 C ATOM 330 NE ARG A 41 -14.346 -26.309 1.689 1.00 53.37 N ATOM 331 CZ ARG A 41 -14.743 -27.573 1.663 1.00 57.17 C ATOM 332 NH1 ARG A 41 -14.798 -28.291 2.774 1.00 57.06 N ATOM 333 NH2 ARG A 41 -15.089 -28.114 0.512 1.00 60.91 N ATOM 334 N LYS A 42 -17.283 -21.936 5.435 1.00 29.68 N ATOM 335 CA LYS A 42 -18.147 -21.794 6.632 1.00 30.96 C ATOM 336 C LYS A 42 -19.374 -22.703 6.512 1.00 30.65 C ATOM 337 O LYS A 42 -19.944 -22.810 5.415 1.00 29.10 O ATOM 338 CB LYS A 42 -18.549 -20.334 6.839 1.00 32.15 C ATOM 339 CG LYS A 42 -18.519 -19.881 8.295 1.00 33.68 C ATOM 340 CD LYS A 42 -19.477 -18.748 8.596 1.00 35.10 C ATOM 341 CE LYS A 42 -19.492 -18.358 10.058 1.00 34.74 C ATOM 342 NZ LYS A 42 -19.831 -16.925 10.238 1.00 34.99 N ATOM 343 N GLN A 43 -19.725 -23.362 7.616 1.00 32.87 N ATOM 344 CA GLN A 43 -20.999 -24.106 7.787 1.00 33.96 C ATOM 345 C GLN A 43 -22.056 -23.085 8.229 1.00 33.76 C ATOM 346 O GLN A 43 -21.779 -22.297 9.176 1.00 31.46 O ATOM 347 CB GLN A 43 -20.823 -25.266 8.774 1.00 35.65 C ATOM 348 CG GLN A 43 -21.943 -26.296 8.722 1.00 38.87 C ATOM 349 CD GLN A 43 -21.780 -27.452 9.684 1.00 38.64 C ATOM 350 OE1 GLN A 43 -20.855 -28.251 9.583 1.00 43.80 O ATOM 351 NE2 GLN A 43 -22.704 -27.566 10.618 1.00 35.35 N ATOM 352 N VAL A 44 -23.201 -23.071 7.536 1.00 32.32 N ATOM 353 CA VAL A 44 -24.289 -22.069 7.726 1.00 33.34 C ATOM 354 C VAL A 44 -25.639 -22.735 7.445 1.00 35.31 C ATOM 355 O VAL A 44 -25.679 -23.699 6.636 1.00 32.58 O ATOM 356 CB VAL A 44 -24.073 -20.834 6.831 1.00 32.66 C ATOM 357 CG1 VAL A 44 -23.038 -19.904 7.425 1.00 32.53 C ATOM 358 CG2 VAL A 44 -23.687 -21.214 5.407 1.00 32.45 C ATOM 359 N VAL A 45 -26.684 -22.235 8.112 1.00 37.02 N ATOM 360 CA VAL A 45 -28.109 -22.666 7.962 1.00 36.87 C ATOM 361 C VAL A 45 -28.843 -21.556 7.201 1.00 35.16 C ATOM 362 O VAL A 45 -28.952 -20.442 7.755 1.00 35.17 O ATOM 363 CB VAL A 45 -28.768 -22.936 9.333 1.00 36.89 C ATOM 364 CG1 VAL A 45 -30.213 -23.407 9.186 1.00 36.97 C ATOM 365 CG2 VAL A 45 -27.957 -23.921 10.165 1.00 36.71 C ATOM 366 N ILE A 46 -29.280 -21.844 5.970 1.00 34.07 N ATOM 367 CA ILE A 46 -29.969 -20.903 5.027 1.00 31.03 C ATOM 368 C ILE A 46 -31.281 -21.589 4.632 1.00 33.37 C ATOM 369 O ILE A 46 -31.196 -22.740 4.108 1.00 30.43 O ATOM 370 CB ILE A 46 -29.090 -20.581 3.789 1.00 28.41 C ATOM 371 CG1 ILE A 46 -27.637 -20.307 4.171 1.00 26.94 C ATOM 372 CG2 ILE A 46 -29.679 -19.445 2.960 1.00 27.88 C ATOM 373 CD1 ILE A 46 -26.834 -19.587 3.129 1.00 25.98 C ATOM 374 N ASP A 47 -32.420 -20.933 4.903 1.00 35.06 N ATOM 375 CA ASP A 47 -33.792 -21.477 4.732 1.00 36.36 C ATOM 376 C ASP A 47 -33.852 -22.891 5.326 1.00 36.04 C ATOM 377 O ASP A 47 -34.301 -23.802 4.619 1.00 35.16 O ATOM 378 CB ASP A 47 -34.210 -21.445 3.261 1.00 39.99 C ATOM 379 CG ASP A 47 -34.089 -20.081 2.589 1.00 45.68 C ATOM 380 OD1 ASP A 47 -34.030 -19.055 3.310 1.00 41.86 O ATOM 381 OD2 ASP A 47 -34.046 -20.052 1.333 1.00 51.57 O ATOM 382 N GLY A 48 -33.349 -23.075 6.552 1.00 38.55 N ATOM 383 CA GLY A 48 -33.359 -24.356 7.290 1.00 38.82 C ATOM 384 C GLY A 48 -32.450 -25.438 6.705 1.00 43.92 C ATOM 385 O GLY A 48 -32.396 -26.502 7.330 1.00 48.76 O ATOM 386 N GLU A 49 -31.757 -25.218 5.570 1.00 48.22 N ATOM 387 CA GLU A 49 -30.747 -26.164 4.984 1.00 46.65 C ATOM 388 C GLU A 49 -29.342 -25.822 5.517 1.00 47.49 C ATOM 389 O GLU A 49 -28.857 -24.700 5.229 1.00 56.39 O ATOM 390 CB GLU A 49 -30.736 -26.106 3.445 1.00 46.02 C ATOM 391 CG GLU A 49 -29.693 -27.015 2.781 1.00 46.19 C ATOM 392 CD GLU A 49 -29.360 -26.791 1.299 1.00 49.12 C ATOM 393 OE1 GLU A 49 -29.208 -25.614 0.850 1.00 42.97 O ATOM 394 OE2 GLU A 49 -29.210 -27.807 0.584 1.00 50.58 O ATOM 395 N THR A 50 -28.691 -26.738 6.244 1.00 39.21 N ATOM 396 CA THR A 50 -27.247 -26.624 6.584 1.00 36.77 C ATOM 397 C THR A 50 -26.441 -26.852 5.297 1.00 34.90 C ATOM 398 O THR A 50 -26.675 -27.856 4.591 1.00 32.35 O ATOM 399 CB THR A 50 -26.840 -27.536 7.752 1.00 37.75 C ATOM 400 OG1 THR A 50 -27.104 -26.815 8.957 1.00 38.30 O ATOM 401 CG2 THR A 50 -25.379 -27.938 7.750 1.00 38.00 C ATOM 402 N SER A 51 -25.528 -25.928 5.002 1.00 32.75 N ATOM 403 CA SER A 51 -24.724 -25.914 3.760 1.00 31.19 C ATOM 404 C SER A 51 -23.309 -25.444 4.044 1.00 27.99 C ATOM 405 O SER A 51 -23.064 -24.772 5.058 1.00 24.03 O ATOM 406 CB SER A 51 -25.341 -25.059 2.719 1.00 32.18 C ATOM 407 OG SER A 51 -26.665 -25.480 2.486 1.00 38.18 O ATOM 408 N LEU A 52 -22.431 -25.814 3.129 1.00 28.61 N ATOM 409 CA LEU A 52 -21.004 -25.466 3.160 1.00 31.69 C ATOM 410 C LEU A 52 -20.777 -24.361 2.133 1.00 27.81 C ATOM 411 O LEU A 52 -21.181 -24.562 0.993 1.00 25.29 O ATOM 412 CB LEU A 52 -20.224 -26.738 2.827 1.00 38.63 C ATOM 413 CG LEU A 52 -18.711 -26.678 3.014 1.00 41.69 C ATOM 414 CD1 LEU A 52 -18.354 -26.283 4.444 1.00 43.85 C ATOM 415 CD2 LEU A 52 -18.109 -28.025 2.642 1.00 44.29 C ATOM 416 N LEU A 53 -20.208 -23.231 2.571 1.00 26.51 N ATOM 417 CA LEU A 53 -19.727 -22.114 1.712 1.00 24.07 C ATOM 418 C LEU A 53 -18.228 -22.261 1.523 1.00 21.94 C ATOM 419 O LEU A 53 -17.501 -22.297 2.518 1.00 21.75 O ATOM 420 CB LEU A 53 -20.070 -20.783 2.376 1.00 24.18 C ATOM 421 CG LEU A 53 -21.544 -20.642 2.751 1.00 24.15 C ATOM 422 CD1 LEU A 53 -21.906 -19.203 3.039 1.00 23.81 C ATOM 423 CD2 LEU A 53 -22.428 -21.190 1.651 1.00 24.72 C ATOM 424 N ASP A 54 -17.833 -22.459 0.275 1.00 20.87 N ATOM 425 CA ASP A 54 -16.441 -22.380 -0.217 1.00 18.84 C ATOM 426 C ASP A 54 -16.364 -21.049 -0.964 1.00 17.92 C ATOM 427 O ASP A 54 -16.973 -20.976 -2.048 1.00 17.28 O ATOM 428 CB ASP A 54 -16.116 -23.595 -1.087 1.00 20.14 C ATOM 429 CG ASP A 54 -14.633 -23.897 -1.249 1.00 21.26 C ATOM 430 OD1 ASP A 54 -13.838 -22.940 -1.277 1.00 23.12 O ATOM 431 OD2 ASP A 54 -14.285 -25.095 -1.375 1.00 23.38 O ATOM 432 N ILE A 55 -15.693 -20.046 -0.371 1.00 15.41 N ATOM 433 CA ILE A 55 -15.650 -18.636 -0.836 1.00 14.78 C ATOM 434 C ILE A 55 -14.240 -18.292 -1.344 1.00 15.18 C ATOM 435 O ILE A 55 -13.348 -18.210 -0.487 1.00 14.93 O ATOM 436 CB ILE A 55 -16.098 -17.719 0.311 1.00 14.95 C ATOM 437 CG1 ILE A 55 -17.597 -17.895 0.590 1.00 14.52 C ATOM 438 CG2 ILE A 55 -15.733 -16.273 -0.007 1.00 14.88 C ATOM 439 CD1 ILE A 55 -18.058 -17.408 1.932 1.00 14.61 C ATOM 440 N LEU A 56 -14.046 -18.121 -2.669 1.00 14.65 N ATOM 441 CA LEU A 56 -12.735 -17.741 -3.268 1.00 15.34 C ATOM 442 C LEU A 56 -12.648 -16.214 -3.305 1.00 16.12 C ATOM 443 O LEU A 56 -13.472 -15.578 -3.967 1.00 18.62 O ATOM 444 CB LEU A 56 -12.567 -18.358 -4.664 1.00 15.60 C ATOM 445 CG LEU A 56 -11.373 -17.849 -5.485 1.00 16.14 C ATOM 446 CD1 LEU A 56 -10.045 -18.227 -4.842 1.00 16.35 C ATOM 447 CD2 LEU A 56 -11.412 -18.356 -6.917 1.00 16.28 C ATOM 448 N ASP A 57 -11.703 -15.640 -2.573 1.00 16.40 N ATOM 449 CA ASP A 57 -11.542 -14.178 -2.389 1.00 15.32 C ATOM 450 C ASP A 57 -10.440 -13.727 -3.328 1.00 14.00 C ATOM 451 O ASP A 57 -9.270 -13.980 -2.987 1.00 14.55 O ATOM 452 CB ASP A 57 -11.192 -13.893 -0.935 1.00 17.03 C ATOM 453 CG ASP A 57 -10.801 -12.459 -0.667 1.00 18.33 C ATOM 454 OD1 ASP A 57 -11.424 -11.583 -1.271 1.00 20.57 O ATOM 455 OD2 ASP A 57 -9.890 -12.240 0.161 1.00 19.39 O ATOM 456 N THR A 58 -10.782 -13.144 -4.480 1.00 12.39 N ATOM 457 CA THR A 58 -9.808 -12.937 -5.585 1.00 11.63 C ATOM 458 C THR A 58 -8.805 -11.864 -5.170 1.00 11.57 C ATOM 459 O THR A 58 -9.193 -10.950 -4.447 1.00 11.66 O ATOM 460 CB THR A 58 -10.485 -12.690 -6.938 1.00 10.80 C ATOM 461 OG1 THR A 58 -11.384 -11.592 -6.857 1.00 10.14 O ATOM 462 CG2 THR A 58 -11.252 -13.904 -7.404 1.00 11.07 C ATOM 463 N ALA A 59 -7.547 -12.007 -5.595 1.00 12.14 N ATOM 464 CA ALA A 59 -6.468 -11.013 -5.385 1.00 12.35 C ATOM 465 C ALA A 59 -5.503 -11.093 -6.575 1.00 12.66 C ATOM 466 O ALA A 59 -5.992 -10.976 -7.680 1.00 12.44 O ATOM 467 CB ALA A 59 -5.827 -11.248 -4.045 1.00 11.94 C ATOM 468 N GLY A 60 -4.199 -11.291 -6.364 1.00 13.20 N ATOM 469 CA GLY A 60 -3.205 -11.431 -7.440 1.00 13.02 C ATOM 470 C GLY A 60 -3.010 -10.138 -8.210 1.00 13.11 C ATOM 471 O GLY A 60 -3.119 -9.059 -7.609 1.00 13.45 O ATOM 472 N GLN A 61 -2.779 -10.255 -9.513 1.00 13.24 N ATOM 473 CA GLN A 61 -2.421 -9.137 -10.422 1.00 13.95 C ATOM 474 C GLN A 61 -3.585 -8.865 -11.392 1.00 15.09 C ATOM 475 O GLN A 61 -4.445 -9.759 -11.600 1.00 16.33 O ATOM 476 CB GLN A 61 -1.079 -9.463 -11.104 1.00 12.79 C ATOM 477 CG GLN A 61 0.113 -9.230 -10.182 1.00 12.42 C ATOM 478 CD GLN A 61 0.159 -10.268 -9.082 1.00 13.31 C ATOM 479 OE1 GLN A 61 0.341 -11.449 -9.351 1.00 14.90 O ATOM 480 NE2 GLN A 61 -0.011 -9.864 -7.832 1.00 13.16 N ATOM 481 N GLU A 62 -3.652 -7.653 -11.937 1.00 15.94 N ATOM 482 CA GLU A 62 -4.544 -7.322 -13.069 1.00 16.64 C ATOM 483 C GLU A 62 -3.996 -8.009 -14.320 1.00 17.04 C ATOM 484 O GLU A 62 -3.484 -7.295 -15.171 1.00 18.80 O ATOM 485 CB GLU A 62 -4.557 -5.824 -13.352 1.00 16.94 C ATOM 486 CG GLU A 62 -5.128 -4.951 -12.254 1.00 17.43 C ATOM 487 CD GLU A 62 -5.026 -3.475 -12.631 1.00 18.42 C ATOM 488 OE1 GLU A 62 -5.627 -3.067 -13.659 1.00 18.79 O ATOM 489 OE2 GLU A 62 -4.258 -2.761 -11.966 1.00 19.11 O ATOM 490 N GLU A 63 -4.098 -9.332 -14.428 1.00 17.65 N ATOM 491 CA GLU A 63 -3.617 -10.091 -15.616 1.00 18.27 C ATOM 492 C GLU A 63 -4.515 -11.292 -15.907 1.00 17.08 C ATOM 493 O GLU A 63 -5.177 -11.797 -14.959 1.00 17.84 O ATOM 494 CB GLU A 63 -2.187 -10.600 -15.430 1.00 18.25 C ATOM 495 CG GLU A 63 -2.021 -11.595 -14.323 1.00 18.11 C ATOM 496 CD GLU A 63 -0.588 -12.077 -14.169 1.00 19.76 C ATOM 497 OE1 GLU A 63 -0.317 -12.784 -13.196 1.00 20.55 O ATOM 498 OE2 GLU A 63 0.260 -11.749 -15.018 1.00 22.34 O ATOM 499 N TYR A 64 -4.548 -11.676 -17.182 1.00 15.74 N ATOM 500 CA TYR A 64 -5.217 -12.893 -17.690 1.00 16.79 C ATOM 501 C TYR A 64 -4.326 -14.093 -17.350 1.00 17.44 C ATOM 502 O TYR A 64 -3.071 -14.001 -17.528 1.00 15.71 O ATOM 503 CB TYR A 64 -5.482 -12.852 -19.204 1.00 16.90 C ATOM 504 CG TYR A 64 -5.871 -14.216 -19.709 1.00 17.24 C ATOM 505 CD1 TYR A 64 -7.131 -14.708 -19.420 1.00 18.00 C ATOM 506 CD2 TYR A 64 -4.947 -15.080 -20.291 1.00 18.04 C ATOM 507 CE1 TYR A 64 -7.498 -15.992 -19.779 1.00 17.85 C ATOM 508 CE2 TYR A 64 -5.297 -16.378 -20.643 1.00 18.09 C ATOM 509 CZ TYR A 64 -6.586 -16.826 -20.398 1.00 17.30 C ATOM 510 OH TYR A 64 -6.993 -18.092 -20.715 1.00 19.14 O ATOM 511 N SER A 65 -4.946 -15.188 -16.897 1.00 17.90 N ATOM 512 CA SER A 65 -4.289 -16.520 -16.815 1.00 19.42 C ATOM 513 C SER A 65 -5.307 -17.623 -17.125 1.00 20.01 C ATOM 514 O SER A 65 -6.467 -17.533 -16.640 1.00 19.42 O ATOM 515 CB SER A 65 -3.566 -16.741 -15.483 1.00 20.47 C ATOM 516 OG SER A 65 -4.452 -16.914 -14.375 1.00 21.95 O ATOM 517 N ALA A 66 -4.870 -18.617 -17.901 1.00 20.09 N ATOM 518 CA ALA A 66 -5.543 -19.920 -18.112 1.00 21.95 C ATOM 519 C ALA A 66 -5.942 -20.520 -16.751 1.00 23.47 C ATOM 520 O ALA A 66 -7.086 -20.973 -16.592 1.00 23.77 O ATOM 521 CB ALA A 66 -4.625 -20.832 -18.909 1.00 20.71 C ATOM 522 N MET A 67 -5.061 -20.434 -15.757 1.00 26.90 N ATOM 523 CA MET A 67 -5.333 -20.966 -14.398 1.00 27.36 C ATOM 524 C MET A 67 -6.435 -20.130 -13.733 1.00 24.52 C ATOM 525 O MET A 67 -7.202 -20.685 -12.928 1.00 24.06 O ATOM 526 CB MET A 67 -4.065 -21.001 -13.534 1.00 30.64 C ATOM 527 CG MET A 67 -4.185 -21.870 -12.276 1.00 35.68 C ATOM 528 SD MET A 67 -4.756 -23.607 -12.548 1.00 45.76 S ATOM 529 CE MET A 67 -3.743 -24.110 -13.945 1.00 44.11 C ATOM 530 N ARG A 68 -6.568 -18.848 -14.039 1.00 21.89 N ATOM 531 CA ARG A 68 -7.610 -18.075 -13.321 1.00 21.99 C ATOM 532 C ARG A 68 -8.985 -18.313 -13.965 1.00 19.32 C ATOM 533 O ARG A 68 -9.978 -18.295 -13.221 1.00 18.50 O ATOM 534 CB ARG A 68 -7.245 -16.602 -13.232 1.00 23.48 C ATOM 535 CG ARG A 68 -7.811 -15.907 -12.004 1.00 23.82 C ATOM 536 CD ARG A 68 -7.338 -14.487 -12.141 1.00 24.59 C ATOM 537 NE ARG A 68 -6.921 -13.856 -10.925 1.00 24.95 N ATOM 538 CZ ARG A 68 -6.369 -12.662 -10.912 1.00 25.31 C ATOM 539 NH1 ARG A 68 -6.165 -12.018 -12.046 1.00 26.14 N ATOM 540 NH2 ARG A 68 -6.019 -12.115 -9.772 1.00 25.91 N ATOM 541 N ASP A 69 -9.025 -18.584 -15.268 1.00 17.65 N ATOM 542 CA ASP A 69 -10.242 -19.028 -15.995 1.00 18.14 C ATOM 543 C ASP A 69 -10.802 -20.273 -15.297 1.00 20.20 C ATOM 544 O ASP A 69 -12.029 -20.335 -15.115 1.00 20.72 O ATOM 545 CB ASP A 69 -9.948 -19.316 -17.480 1.00 16.18 C ATOM 546 CG ASP A 69 -9.812 -18.084 -18.361 1.00 13.98 C ATOM 547 OD1 ASP A 69 -9.920 -16.966 -17.858 1.00 12.48 O ATOM 548 OD2 ASP A 69 -9.602 -18.260 -19.537 1.00 13.04 O ATOM 549 N GLN A 70 -9.906 -21.204 -14.937 1.00 23.74 N ATOM 550 CA GLN A 70 -10.198 -22.547 -14.375 1.00 26.90 C ATOM 551 C GLN A 70 -10.823 -22.368 -12.978 1.00 27.77 C ATOM 552 O GLN A 70 -11.856 -23.010 -12.695 1.00 26.51 O ATOM 553 CB GLN A 70 -8.929 -23.417 -14.390 1.00 28.91 C ATOM 554 CG GLN A 70 -9.143 -24.826 -14.963 1.00 33.37 C ATOM 555 CD GLN A 70 -7.879 -25.630 -15.244 1.00 36.02 C ATOM 556 OE1 GLN A 70 -6.954 -25.696 -14.433 1.00 38.51 O ATOM 557 NE2 GLN A 70 -7.829 -26.278 -16.397 1.00 31.94 N ATOM 558 N TYR A 71 -10.259 -21.513 -12.133 1.00 27.47 N ATOM 559 CA TYR A 71 -10.824 -21.257 -10.791 1.00 29.27 C ATOM 560 C TYR A 71 -12.217 -20.641 -10.956 1.00 27.65 C ATOM 561 O TYR A 71 -13.160 -21.028 -10.217 1.00 26.96 O ATOM 562 CB TYR A 71 -9.869 -20.387 -9.978 1.00 37.99 C ATOM 563 CG TYR A 71 -8.738 -21.134 -9.313 1.00 44.92 C ATOM 564 CD1 TYR A 71 -8.953 -21.829 -8.133 1.00 52.25 C ATOM 565 CD2 TYR A 71 -7.450 -21.128 -9.831 1.00 49.97 C ATOM 566 CE1 TYR A 71 -7.930 -22.504 -7.486 1.00 53.13 C ATOM 567 CE2 TYR A 71 -6.416 -21.813 -9.206 1.00 53.64 C ATOM 568 CZ TYR A 71 -6.655 -22.501 -8.023 1.00 54.17 C ATOM 569 OH TYR A 71 -5.664 -23.164 -7.352 1.00 54.40 O ATOM 570 N MET A 72 -12.360 -19.715 -11.911 1.00 26.37 N ATOM 571 CA MET A 72 -13.615 -18.949 -12.128 1.00 24.32 C ATOM 572 C MET A 72 -14.689 -19.894 -12.665 1.00 23.96 C ATOM 573 O MET A 72 -15.825 -19.828 -12.178 1.00 22.72 O ATOM 574 CB MET A 72 -13.439 -17.790 -13.113 1.00 24.27 C ATOM 575 CG MET A 72 -12.550 -16.653 -12.620 1.00 24.62 C ATOM 576 SD MET A 72 -13.028 -15.853 -11.068 1.00 21.74 S ATOM 577 CE MET A 72 -11.795 -16.588 -10.002 1.00 22.76 C ATOM 578 N ARG A 73 -14.328 -20.751 -13.614 1.00 23.21 N ATOM 579 CA ARG A 73 -15.245 -21.768 -14.180 1.00 23.75 C ATOM 580 C ARG A 73 -15.737 -22.735 -13.082 1.00 22.34 C ATOM 581 O ARG A 73 -16.871 -23.213 -13.228 1.00 18.60 O ATOM 582 CB ARG A 73 -14.551 -22.471 -15.343 1.00 25.69 C ATOM 583 CG ARG A 73 -15.427 -23.516 -16.010 1.00 30.80 C ATOM 584 CD ARG A 73 -14.791 -24.081 -17.260 1.00 33.34 C ATOM 585 NE ARG A 73 -14.522 -23.035 -18.240 1.00 33.68 N ATOM 586 CZ ARG A 73 -13.315 -22.600 -18.618 1.00 34.74 C ATOM 587 NH1 ARG A 73 -12.208 -23.104 -18.081 1.00 32.90 N ATOM 588 NH2 ARG A 73 -13.235 -21.646 -19.540 1.00 31.43 N ATOM 589 N THR A 74 -14.969 -22.987 -12.006 1.00 22.15 N ATOM 590 CA THR A 74 -15.448 -23.791 -10.836 1.00 23.46 C ATOM 591 C THR A 74 -16.524 -23.039 -10.042 1.00 21.10 C ATOM 592 O THR A 74 -17.328 -23.725 -9.419 1.00 23.95 O ATOM 593 CB THR A 74 -14.375 -24.188 -9.797 1.00 25.27 C ATOM 594 OG1 THR A 74 -13.946 -23.083 -8.990 1.00 26.33 O ATOM 595 CG2 THR A 74 -13.167 -24.860 -10.413 1.00 26.32 C ATOM 596 N GLY A 75 -16.469 -21.703 -9.978 1.00 19.38 N ATOM 597 CA GLY A 75 -17.436 -20.848 -9.258 1.00 17.94 C ATOM 598 C GLY A 75 -18.851 -21.068 -9.762 1.00 16.73 C ATOM 599 O GLY A 75 -19.026 -21.213 -10.991 1.00 16.37 O ATOM 600 N GLU A 76 -19.818 -21.154 -8.839 1.00 16.18 N ATOM 601 CA GLU A 76 -21.267 -21.342 -9.142 1.00 15.72 C ATOM 602 C GLU A 76 -21.975 -19.983 -9.112 1.00 14.49 C ATOM 603 O GLU A 76 -22.963 -19.809 -9.865 1.00 14.85 O ATOM 604 CB GLU A 76 -21.934 -22.288 -8.135 1.00 16.23 C ATOM 605 CG GLU A 76 -21.273 -23.643 -8.016 1.00 17.55 C ATOM 606 CD GLU A 76 -21.894 -24.543 -6.962 1.00 18.98 C ATOM 607 OE1 GLU A 76 -21.335 -24.643 -5.857 1.00 18.37 O ATOM 608 OE2 GLU A 76 -22.929 -25.153 -7.267 1.00 21.72 O ATOM 609 N GLY A 77 -21.515 -19.062 -8.266 1.00 13.16 N ATOM 610 CA GLY A 77 -22.026 -17.677 -8.234 1.00 12.90 C ATOM 611 C GLY A 77 -20.953 -16.686 -7.830 1.00 12.79 C ATOM 612 O GLY A 77 -19.988 -17.091 -7.162 1.00 12.57 O ATOM 613 N PHE A 78 -21.127 -15.414 -8.200 1.00 12.85 N ATOM 614 CA PHE A 78 -20.096 -14.361 -8.056 1.00 12.64 C ATOM 615 C PHE A 78 -20.713 -13.123 -7.401 1.00 13.09 C ATOM 616 O PHE A 78 -21.792 -12.652 -7.817 1.00 15.15 O ATOM 617 CB PHE A 78 -19.483 -14.087 -9.433 1.00 12.65 C ATOM 618 CG PHE A 78 -19.044 -15.331 -10.151 1.00 12.44 C ATOM 619 CD1 PHE A 78 -19.971 -16.156 -10.777 1.00 12.24 C ATOM 620 CD2 PHE A 78 -17.710 -15.693 -10.176 1.00 12.58 C ATOM 621 CE1 PHE A 78 -19.575 -17.317 -11.419 1.00 12.59 C ATOM 622 CE2 PHE A 78 -17.312 -16.851 -10.834 1.00 13.07 C ATOM 623 CZ PHE A 78 -18.244 -17.669 -11.445 1.00 12.83 C ATOM 624 N LEU A 79 -20.082 -12.616 -6.350 1.00 13.00 N ATOM 625 CA LEU A 79 -20.407 -11.271 -5.819 1.00 12.39 C ATOM 626 C LEU A 79 -19.596 -10.264 -6.643 1.00 11.48 C ATOM 627 O LEU A 79 -18.344 -10.411 -6.639 1.00 11.64 O ATOM 628 CB LEU A 79 -20.060 -11.198 -4.328 1.00 12.79 C ATOM 629 CG LEU A 79 -20.921 -12.018 -3.365 1.00 13.29 C ATOM 630 CD1 LEU A 79 -20.416 -11.862 -1.937 1.00 13.33 C ATOM 631 CD2 LEU A 79 -22.378 -11.603 -3.408 1.00 13.18 C ATOM 632 N LEU A 80 -20.250 -9.315 -7.331 1.00 10.05 N ATOM 633 CA LEU A 80 -19.556 -8.212 -8.036 1.00 9.94 C ATOM 634 C LEU A 80 -19.490 -6.985 -7.107 1.00 9.28 C ATOM 635 O LEU A 80 -20.514 -6.290 -6.932 1.00 9.49 O ATOM 636 CB LEU A 80 -20.264 -7.890 -9.355 1.00 10.01 C ATOM 637 CG LEU A 80 -20.589 -9.079 -10.249 1.00 10.25 C ATOM 638 CD1 LEU A 80 -21.595 -8.690 -11.324 1.00 10.47 C ATOM 639 CD2 LEU A 80 -19.326 -9.612 -10.888 1.00 10.34 C ATOM 640 N VAL A 81 -18.313 -6.703 -6.563 1.00 8.39 N ATOM 641 CA VAL A 81 -18.162 -5.726 -5.446 1.00 8.58 C ATOM 642 C VAL A 81 -17.506 -4.458 -5.976 1.00 8.30 C ATOM 643 O VAL A 81 -16.455 -4.547 -6.613 1.00 8.02 O ATOM 644 CB VAL A 81 -17.356 -6.274 -4.252 1.00 8.14 C ATOM 645 CG1 VAL A 81 -17.405 -5.326 -3.063 1.00 8.15 C ATOM 646 CG2 VAL A 81 -17.836 -7.651 -3.840 1.00 8.29 C ATOM 647 N PHE A 82 -18.126 -3.340 -5.655 1.00 8.28 N ATOM 648 CA PHE A 82 -17.563 -1.986 -5.776 1.00 8.76 C ATOM 649 C PHE A 82 -17.756 -1.323 -4.406 1.00 9.59 C ATOM 650 O PHE A 82 -18.612 -1.794 -3.647 1.00 9.30 O ATOM 651 CB PHE A 82 -18.236 -1.238 -6.939 1.00 8.42 C ATOM 652 CG PHE A 82 -19.658 -0.823 -6.658 1.00 7.78 C ATOM 653 CD1 PHE A 82 -20.692 -1.729 -6.764 1.00 7.43 C ATOM 654 CD2 PHE A 82 -19.955 0.459 -6.246 1.00 7.64 C ATOM 655 CE1 PHE A 82 -21.992 -1.367 -6.465 1.00 7.46 C ATOM 656 CE2 PHE A 82 -21.268 0.820 -5.972 1.00 7.43 C ATOM 657 CZ PHE A 82 -22.279 -0.089 -6.086 1.00 7.25 C ATOM 658 N ALA A 83 -16.950 -0.296 -4.109 1.00 10.43 N ATOM 659 CA ALA A 83 -17.150 0.640 -2.994 1.00 10.97 C ATOM 660 C ALA A 83 -17.902 1.854 -3.534 1.00 12.12 C ATOM 661 O ALA A 83 -17.583 2.311 -4.668 1.00 13.42 O ATOM 662 CB ALA A 83 -15.835 1.019 -2.390 1.00 11.21 C ATOM 663 N ILE A 84 -18.857 2.352 -2.747 1.00 12.23 N ATOM 664 CA ILE A 84 -19.781 3.459 -3.127 1.00 12.69 C ATOM 665 C ILE A 84 -19.020 4.797 -3.169 1.00 13.46 C ATOM 666 O ILE A 84 -19.527 5.694 -3.807 1.00 14.57 O ATOM 667 CB ILE A 84 -20.984 3.507 -2.162 1.00 12.55 C ATOM 668 CG1 ILE A 84 -20.563 3.820 -0.724 1.00 12.53 C ATOM 669 CG2 ILE A 84 -21.791 2.215 -2.241 1.00 12.19 C ATOM 670 CD1 ILE A 84 -21.659 4.448 0.085 1.00 12.65 C ATOM 671 N ASN A 85 -17.861 4.900 -2.510 1.00 13.90 N ATOM 672 CA ASN A 85 -16.930 6.062 -2.544 1.00 14.36 C ATOM 673 C ASN A 85 -15.886 5.937 -3.662 1.00 14.47 C ATOM 674 O ASN A 85 -14.971 6.735 -3.644 1.00 15.25 O ATOM 675 CB ASN A 85 -16.233 6.260 -1.182 1.00 13.76 C ATOM 676 CG ASN A 85 -15.213 5.206 -0.801 1.00 13.20 C ATOM 677 OD1 ASN A 85 -15.245 4.072 -1.274 1.00 11.93 O ATOM 678 ND2 ASN A 85 -14.307 5.574 0.092 1.00 13.24 N ATOM 679 N ASN A 86 -15.992 4.990 -4.598 1.00 15.96 N ATOM 680 CA ASN A 86 -15.026 4.875 -5.729 1.00 16.68 C ATOM 681 C ASN A 86 -15.781 4.578 -7.035 1.00 17.01 C ATOM 682 O ASN A 86 -16.129 3.381 -7.275 1.00 16.59 O ATOM 683 CB ASN A 86 -13.958 3.829 -5.420 1.00 17.45 C ATOM 684 CG ASN A 86 -12.826 3.826 -6.428 1.00 18.38 C ATOM 685 OD1 ASN A 86 -13.000 3.453 -7.593 1.00 17.83 O ATOM 686 ND2 ASN A 86 -11.653 4.243 -5.979 1.00 19.35 N ATOM 687 N THR A 87 -16.002 5.597 -7.878 1.00 17.59 N ATOM 688 CA THR A 87 -16.804 5.451 -9.131 1.00 19.24 C ATOM 689 C THR A 87 -16.063 4.600 -10.177 1.00 18.89 C ATOM 690 O THR A 87 -16.766 3.968 -10.979 1.00 18.96 O ATOM 691 CB THR A 87 -17.195 6.770 -9.793 1.00 19.74 C ATOM 692 OG1 THR A 87 -15.945 7.226 -10.287 1.00 22.40 O ATOM 693 CG2 THR A 87 -17.847 7.781 -8.881 1.00 21.20 C ATOM 694 N LYS A 88 -14.727 4.511 -10.135 1.00 19.74 N ATOM 695 CA LYS A 88 -13.946 3.612 -11.033 1.00 20.30 C ATOM 696 C LYS A 88 -14.161 2.136 -10.656 1.00 19.15 C ATOM 697 O LYS A 88 -14.262 1.310 -11.591 1.00 19.79 O ATOM 698 CB LYS A 88 -12.457 3.958 -11.024 1.00 22.35 C ATOM 699 CG LYS A 88 -11.634 3.050 -11.920 1.00 24.98 C ATOM 700 CD LYS A 88 -10.344 3.677 -12.440 1.00 27.35 C ATOM 701 CE LYS A 88 -9.439 2.683 -13.150 1.00 26.54 C ATOM 702 NZ LYS A 88 -8.820 1.744 -12.190 1.00 27.16 N ATOM 703 N SER A 89 -14.217 1.790 -9.356 1.00 16.88 N ATOM 704 CA SER A 89 -14.598 0.425 -8.887 1.00 15.19 C ATOM 705 C SER A 89 -15.958 0.038 -9.497 1.00 14.64 C ATOM 706 O SER A 89 -16.086 -1.096 -9.959 1.00 12.93 O ATOM 707 CB SER A 89 -14.571 0.283 -7.366 1.00 14.39 C ATOM 708 OG SER A 89 -15.727 0.809 -6.739 1.00 13.87 O ATOM 709 N PHE A 90 -16.925 0.960 -9.529 1.00 14.84 N ATOM 710 CA PHE A 90 -18.246 0.751 -10.170 1.00 16.09 C ATOM 711 C PHE A 90 -18.099 0.729 -11.701 1.00 18.05 C ATOM 712 O PHE A 90 -18.746 -0.125 -12.314 1.00 18.22 O ATOM 713 CB PHE A 90 -19.253 1.789 -9.679 1.00 15.90 C ATOM 714 CG PHE A 90 -20.648 1.640 -10.223 1.00 15.62 C ATOM 715 CD1 PHE A 90 -21.551 0.786 -9.611 1.00 15.70 C ATOM 716 CD2 PHE A 90 -21.077 2.405 -11.309 1.00 15.19 C ATOM 717 CE1 PHE A 90 -22.848 0.669 -10.098 1.00 16.05 C ATOM 718 CE2 PHE A 90 -22.375 2.305 -11.779 1.00 14.80 C ATOM 719 CZ PHE A 90 -23.250 1.418 -11.190 1.00 15.71 C ATOM 720 N GLU A 91 -17.247 1.573 -12.306 1.00 21.53 N ATOM 721 CA GLU A 91 -16.995 1.564 -13.785 1.00 23.16 C ATOM 722 C GLU A 91 -16.478 0.186 -14.233 1.00 19.92 C ATOM 723 O GLU A 91 -16.756 -0.174 -15.405 1.00 19.62 O ATOM 724 CB GLU A 91 -15.941 2.581 -14.236 1.00 28.31 C ATOM 725 CG GLU A 91 -16.416 4.012 -14.444 1.00 31.94 C ATOM 726 CD GLU A 91 -15.284 4.898 -14.959 1.00 38.09 C ATOM 727 OE1 GLU A 91 -14.460 4.368 -15.755 1.00 41.03 O ATOM 728 OE2 GLU A 91 -15.198 6.109 -14.555 1.00 41.42 O ATOM 729 N ASP A 92 -15.767 -0.536 -13.351 1.00 17.02 N ATOM 730 CA ASP A 92 -15.087 -1.842 -13.619 1.00 16.11 C ATOM 731 C ASP A 92 -16.031 -3.044 -13.516 1.00 13.93 C ATOM 732 O ASP A 92 -15.647 -4.126 -14.022 1.00 11.97 O ATOM 733 CB ASP A 92 -13.968 -2.133 -12.607 1.00 17.05 C ATOM 734 CG ASP A 92 -12.734 -1.280 -12.806 1.00 18.48 C ATOM 735 OD1 ASP A 92 -12.617 -0.705 -13.920 1.00 19.72 O ATOM 736 OD2 ASP A 92 -11.900 -1.203 -11.848 1.00 18.37 O ATOM 737 N ILE A 93 -17.154 -2.916 -12.795 1.00 13.30 N ATOM 738 CA ILE A 93 -18.144 -4.024 -12.608 1.00 12.81 C ATOM 739 C ILE A 93 -18.494 -4.641 -13.980 1.00 12.59 C ATOM 740 O ILE A 93 -18.460 -5.878 -14.096 1.00 12.38 O ATOM 741 CB ILE A 93 -19.378 -3.516 -11.847 1.00 12.82 C ATOM 742 CG1 ILE A 93 -19.044 -3.181 -10.394 1.00 12.60 C ATOM 743 CG2 ILE A 93 -20.534 -4.499 -11.940 1.00 12.81 C ATOM 744 CD1 ILE A 93 -18.602 -4.347 -9.567 1.00 12.29 C ATOM 745 N HIS A 94 -18.782 -3.814 -14.989 1.00 12.82 N ATOM 746 CA HIS A 94 -18.976 -4.200 -16.417 1.00 12.93 C ATOM 747 C HIS A 94 -17.901 -5.187 -16.921 1.00 13.16 C ATOM 748 O HIS A 94 -18.254 -6.160 -17.599 1.00 11.41 O ATOM 749 CB HIS A 94 -18.978 -2.971 -17.315 1.00 12.63 C ATOM 750 CG HIS A 94 -19.278 -3.328 -18.724 1.00 12.78 C ATOM 751 ND1 HIS A 94 -20.517 -3.831 -19.098 1.00 12.81 N ATOM 752 CD2 HIS A 94 -18.525 -3.278 -19.841 1.00 13.06 C ATOM 753 CE1 HIS A 94 -20.501 -4.070 -20.399 1.00 12.95 C ATOM 754 NE2 HIS A 94 -19.306 -3.732 -20.879 1.00 13.30 N ATOM 755 N HIS A 95 -16.622 -4.950 -16.625 1.00 14.28 N ATOM 756 CA HIS A 95 -15.516 -5.790 -17.147 1.00 14.82 C ATOM 757 C HIS A 95 -15.479 -7.114 -16.377 1.00 13.20 C ATOM 758 O HIS A 95 -15.266 -8.161 -16.997 1.00 12.66 O ATOM 759 CB HIS A 95 -14.240 -4.947 -17.231 1.00 17.53 C ATOM 760 CG HIS A 95 -14.381 -3.868 -18.260 1.00 21.95 C ATOM 761 ND1 HIS A 95 -14.367 -2.507 -17.942 1.00 25.49 N ATOM 762 CD2 HIS A 95 -14.595 -3.942 -19.604 1.00 24.42 C ATOM 763 CE1 HIS A 95 -14.544 -1.805 -19.059 1.00 26.21 C ATOM 764 NE2 HIS A 95 -14.669 -2.666 -20.099 1.00 24.08 N ATOM 765 N TYR A 96 -15.775 -7.105 -15.091 1.00 12.45 N ATOM 766 CA TYR A 96 -15.881 -8.351 -14.300 1.00 12.46 C ATOM 767 C TYR A 96 -17.033 -9.203 -14.850 1.00 11.75 C ATOM 768 O TYR A 96 -16.895 -10.407 -14.951 1.00 11.09 O ATOM 769 CB TYR A 96 -15.976 -8.060 -12.797 1.00 12.54 C ATOM 770 CG TYR A 96 -14.654 -7.633 -12.216 1.00 12.98 C ATOM 771 CD1 TYR A 96 -13.602 -8.520 -12.095 1.00 13.86 C ATOM 772 CD2 TYR A 96 -14.433 -6.329 -11.814 1.00 13.69 C ATOM 773 CE1 TYR A 96 -12.371 -8.134 -11.573 1.00 14.26 C ATOM 774 CE2 TYR A 96 -13.203 -5.913 -11.323 1.00 14.03 C ATOM 775 CZ TYR A 96 -12.161 -6.814 -11.210 1.00 14.71 C ATOM 776 OH TYR A 96 -10.958 -6.380 -10.727 1.00 15.66 O ATOM 777 N ARG A 97 -18.171 -8.616 -15.175 1.00 12.31 N ATOM 778 CA ARG A 97 -19.304 -9.395 -15.733 1.00 12.17 C ATOM 779 C ARG A 97 -18.894 -9.942 -17.113 1.00 11.83 C ATOM 780 O ARG A 97 -19.115 -11.138 -17.334 1.00 10.40 O ATOM 781 CB ARG A 97 -20.567 -8.544 -15.746 1.00 13.27 C ATOM 782 CG ARG A 97 -21.781 -9.247 -16.326 1.00 14.46 C ATOM 783 CD ARG A 97 -22.988 -8.373 -16.155 1.00 16.08 C ATOM 784 NE ARG A 97 -24.152 -8.815 -16.911 1.00 17.50 N ATOM 785 CZ ARG A 97 -24.573 -8.250 -18.041 1.00 17.42 C ATOM 786 NH1 ARG A 97 -25.653 -8.724 -18.636 1.00 19.39 N ATOM 787 NH2 ARG A 97 -23.934 -7.222 -18.570 1.00 16.28 N ATOM 788 N GLU A 98 -18.215 -9.147 -17.954 1.00 11.61 N ATOM 789 CA GLU A 98 -17.786 -9.583 -19.308 1.00 12.09 C ATOM 790 C GLU A 98 -16.851 -10.768 -19.175 1.00 12.35 C ATOM 791 O GLU A 98 -17.065 -11.769 -19.887 1.00 11.64 O ATOM 792 CB GLU A 98 -17.028 -8.525 -20.107 1.00 12.12 C ATOM 793 CG GLU A 98 -17.910 -7.429 -20.664 1.00 12.42 C ATOM 794 CD GLU A 98 -19.125 -7.923 -21.415 1.00 12.99 C ATOM 795 OE1 GLU A 98 -20.228 -7.519 -21.060 1.00 13.84 O ATOM 796 OE2 GLU A 98 -18.955 -8.697 -22.350 1.00 13.61 O ATOM 797 N GLN A 99 -15.831 -10.625 -18.326 1.00 13.52 N ATOM 798 CA GLN A 99 -14.780 -11.663 -18.134 1.00 13.75 C ATOM 799 C GLN A 99 -15.429 -12.969 -17.622 1.00 12.78 C ATOM 800 O GLN A 99 -15.079 -14.034 -18.140 1.00 11.91 O ATOM 801 CB GLN A 99 -13.618 -11.101 -17.311 1.00 13.94 C ATOM 802 CG GLN A 99 -12.679 -10.206 -18.124 1.00 14.79 C ATOM 803 CD GLN A 99 -12.532 -10.538 -19.602 1.00 15.28 C ATOM 804 OE1 GLN A 99 -11.952 -11.554 -19.991 1.00 17.19 O ATOM 805 NE2 GLN A 99 -13.030 -9.667 -20.464 1.00 14.13 N ATOM 806 N ILE A 100 -16.400 -12.894 -16.729 1.00 12.80 N ATOM 807 CA ILE A 100 -17.133 -14.092 -16.223 1.00 13.57 C ATOM 808 C ILE A 100 -18.012 -14.672 -17.343 1.00 13.56 C ATOM 809 O ILE A 100 -18.004 -15.892 -17.497 1.00 14.33 O ATOM 810 CB ILE A 100 -17.916 -13.736 -14.952 1.00 13.63 C ATOM 811 CG1 ILE A 100 -16.963 -13.405 -13.799 1.00 13.38 C ATOM 812 CG2 ILE A 100 -18.878 -14.855 -14.588 1.00 14.40 C ATOM 813 CD1 ILE A 100 -17.641 -12.695 -12.617 1.00 13.41 C ATOM 814 N LYS A 101 -18.650 -13.855 -18.178 1.00 14.57 N ATOM 815 CA LYS A 101 -19.459 -14.374 -19.312 1.00 16.14 C ATOM 816 C LYS A 101 -18.540 -15.140 -20.277 1.00 15.52 C ATOM 817 O LYS A 101 -18.963 -16.169 -20.795 1.00 15.03 O ATOM 818 CB LYS A 101 -20.233 -13.292 -20.064 1.00 18.29 C ATOM 819 CG LYS A 101 -20.948 -12.260 -19.208 1.00 22.04 C ATOM 820 CD LYS A 101 -22.441 -12.461 -19.052 1.00 26.47 C ATOM 821 CE LYS A 101 -23.246 -11.212 -19.367 1.00 29.28 C ATOM 822 NZ LYS A 101 -22.791 -10.557 -20.624 1.00 31.73 N ATOM 823 N ARG A 102 -17.317 -14.674 -20.504 1.00 15.12 N ATOM 824 CA ARG A 102 -16.402 -15.310 -21.470 1.00 16.10 C ATOM 825 C ARG A 102 -16.062 -16.743 -21.012 1.00 17.50 C ATOM 826 O ARG A 102 -16.189 -17.673 -21.862 1.00 16.84 O ATOM 827 CB ARG A 102 -15.159 -14.438 -21.648 1.00 16.41 C ATOM 828 CG ARG A 102 -14.025 -15.127 -22.401 1.00 15.53 C ATOM 829 CD ARG A 102 -12.834 -14.197 -22.493 1.00 15.31 C ATOM 830 NE ARG A 102 -12.279 -13.937 -21.178 1.00 14.33 N ATOM 831 CZ ARG A 102 -11.571 -14.823 -20.486 1.00 14.71 C ATOM 832 NH1 ARG A 102 -11.315 -16.018 -20.991 1.00 14.11 N ATOM 833 NH2 ARG A 102 -11.108 -14.515 -19.284 1.00 15.45 N ATOM 834 N VAL A 103 -15.631 -16.919 -19.750 1.00 18.23 N ATOM 835 CA VAL A 103 -15.176 -18.237 -19.211 1.00 20.05 C ATOM 836 C VAL A 103 -16.370 -19.179 -19.032 1.00 19.90 C ATOM 837 O VAL A 103 -16.170 -20.373 -19.260 1.00 20.48 O ATOM 838 CB VAL A 103 -14.391 -18.142 -17.891 1.00 20.94 C ATOM 839 CG1 VAL A 103 -13.148 -17.283 -18.007 1.00 21.32 C ATOM 840 CG2 VAL A 103 -15.248 -17.692 -16.722 1.00 21.77 C ATOM 841 N LYS A 104 -17.534 -18.675 -18.609 1.00 19.34 N ATOM 842 CA LYS A 104 -18.784 -19.475 -18.454 1.00 19.55 C ATOM 843 C LYS A 104 -19.474 -19.636 -19.817 1.00 19.81 C ATOM 844 O LYS A 104 -20.345 -20.491 -19.933 1.00 18.07 O ATOM 845 CB LYS A 104 -19.764 -18.785 -17.506 1.00 21.16 C ATOM 846 CG LYS A 104 -19.213 -18.385 -16.146 1.00 22.85 C ATOM 847 CD LYS A 104 -19.746 -19.217 -15.020 1.00 24.50 C ATOM 848 CE LYS A 104 -19.280 -20.649 -15.054 1.00 25.00 C ATOM 849 NZ LYS A 104 -19.779 -21.360 -13.850 1.00 25.83 N ATOM 850 N ASP A 105 -19.095 -18.822 -20.808 1.00 20.02 N ATOM 851 CA ASP A 105 -19.746 -18.775 -22.142 1.00 20.95 C ATOM 852 C ASP A 105 -21.246 -18.808 -21.875 1.00 20.97 C ATOM 853 O ASP A 105 -21.929 -19.569 -22.533 1.00 20.65 O ATOM 854 CB ASP A 105 -19.214 -19.896 -23.043 1.00 21.82 C ATOM 855 CG ASP A 105 -19.801 -19.944 -24.446 1.00 21.59 C ATOM 856 OD1 ASP A 105 -20.229 -18.904 -24.961 1.00 19.80 O ATOM 857 OD2 ASP A 105 -19.829 -21.043 -25.008 1.00 23.01 O ATOM 858 N SER A 106 -21.695 -18.019 -20.895 1.00 22.28 N ATOM 859 CA SER A 106 -23.105 -17.893 -20.463 1.00 23.31 C ATOM 860 C SER A 106 -23.454 -16.442 -20.114 1.00 25.06 C ATOM 861 O SER A 106 -22.657 -15.760 -19.456 1.00 21.30 O ATOM 862 CB SER A 106 -23.439 -18.789 -19.302 1.00 22.86 C ATOM 863 OG SER A 106 -24.834 -18.696 -19.018 1.00 21.71 O ATOM 864 N GLU A 107 -24.692 -16.094 -20.461 1.00 29.45 N ATOM 865 CA GLU A 107 -25.436 -14.837 -20.183 1.00 31.77 C ATOM 866 C GLU A 107 -26.084 -14.869 -18.788 1.00 31.22 C ATOM 867 O GLU A 107 -26.371 -13.774 -18.278 1.00 31.97 O ATOM 868 CB GLU A 107 -26.565 -14.736 -21.215 1.00 30.86 C ATOM 869 CG GLU A 107 -26.809 -13.375 -21.797 1.00 29.98 C ATOM 870 CD GLU A 107 -28.187 -13.230 -22.431 1.00 30.91 C ATOM 871 OE1 GLU A 107 -29.039 -14.185 -22.384 1.00 26.42 O ATOM 872 OE2 GLU A 107 -28.423 -12.143 -22.959 1.00 36.63 O ATOM 873 N ASP A 108 -26.422 -16.056 -18.251 1.00 31.73 N ATOM 874 CA ASP A 108 -27.167 -16.186 -16.963 1.00 32.16 C ATOM 875 C ASP A 108 -26.344 -17.047 -15.997 1.00 26.36 C ATOM 876 O ASP A 108 -26.503 -18.261 -15.953 1.00 27.05 O ATOM 877 CB ASP A 108 -28.641 -16.591 -17.148 1.00 37.52 C ATOM 878 CG ASP A 108 -28.906 -17.915 -17.837 1.00 40.84 C ATOM 879 OD1 ASP A 108 -28.741 -18.959 -17.170 1.00 43.80 O ATOM 880 OD2 ASP A 108 -29.328 -17.893 -19.026 1.00 46.07 O ATOM 881 N VAL A 109 -25.445 -16.376 -15.298 1.00 21.38 N ATOM 882 CA VAL A 109 -24.547 -16.901 -14.243 1.00 18.15 C ATOM 883 C VAL A 109 -25.097 -16.282 -12.971 1.00 14.98 C ATOM 884 O VAL A 109 -25.409 -15.112 -13.004 1.00 13.51 O ATOM 885 CB VAL A 109 -23.097 -16.463 -14.536 1.00 17.93 C ATOM 886 CG1 VAL A 109 -22.094 -17.038 -13.538 1.00 17.82 C ATOM 887 CG2 VAL A 109 -22.699 -16.785 -15.976 1.00 17.43 C ATOM 888 N PRO A 110 -25.379 -17.039 -11.891 1.00 13.58 N ATOM 889 CA PRO A 110 -25.810 -16.440 -10.634 1.00 12.71 C ATOM 890 C PRO A 110 -24.794 -15.390 -10.172 1.00 12.10 C ATOM 891 O PRO A 110 -23.681 -15.745 -9.963 1.00 12.14 O ATOM 892 CB PRO A 110 -25.902 -17.657 -9.681 1.00 13.28 C ATOM 893 CG PRO A 110 -26.227 -18.830 -10.592 1.00 13.13 C ATOM 894 CD PRO A 110 -25.433 -18.519 -11.851 1.00 14.19 C ATOM 895 N MET A 111 -25.209 -14.125 -10.080 1.00 11.89 N ATOM 896 CA MET A 111 -24.369 -12.970 -9.667 1.00 11.19 C ATOM 897 C MET A 111 -25.146 -12.123 -8.658 1.00 10.63 C ATOM 898 O MET A 111 -26.412 -12.169 -8.659 1.00 11.29 O ATOM 899 CB MET A 111 -23.969 -12.107 -10.857 1.00 11.65 C ATOM 900 CG MET A 111 -22.959 -12.790 -11.748 1.00 12.36 C ATOM 901 SD MET A 111 -22.435 -11.763 -13.137 1.00 12.28 S ATOM 902 CE MET A 111 -21.231 -12.842 -13.883 1.00 12.79 C ATOM 903 N VAL A 112 -24.435 -11.405 -7.804 1.00 9.47 N ATOM 904 CA VAL A 112 -25.056 -10.335 -6.971 1.00 9.44 C ATOM 905 C VAL A 112 -24.127 -9.117 -7.023 1.00 9.29 C ATOM 906 O VAL A 112 -22.913 -9.291 -6.809 1.00 8.97 O ATOM 907 CB VAL A 112 -25.319 -10.818 -5.527 1.00 8.89 C ATOM 908 CG1 VAL A 112 -25.690 -9.704 -4.587 1.00 8.93 C ATOM 909 CG2 VAL A 112 -26.382 -11.875 -5.492 1.00 9.02 C ATOM 910 N LEU A 113 -24.692 -7.927 -7.246 1.00 9.39 N ATOM 911 CA LEU A 113 -23.970 -6.624 -7.191 1.00 9.56 C ATOM 912 C LEU A 113 -23.886 -6.164 -5.736 1.00 9.96 C ATOM 913 O LEU A 113 -24.959 -6.123 -5.078 1.00 10.05 O ATOM 914 CB LEU A 113 -24.720 -5.597 -8.034 1.00 9.45 C ATOM 915 CG LEU A 113 -24.073 -4.223 -8.146 1.00 9.46 C ATOM 916 CD1 LEU A 113 -22.836 -4.301 -9.050 1.00 9.10 C ATOM 917 CD2 LEU A 113 -25.092 -3.215 -8.683 1.00 9.36 C ATOM 918 N VAL A 114 -22.673 -5.895 -5.241 1.00 9.82 N ATOM 919 CA VAL A 114 -22.486 -5.401 -3.845 1.00 10.40 C ATOM 920 C VAL A 114 -21.859 -3.997 -3.874 1.00 10.50 C ATOM 921 O VAL A 114 -20.733 -3.855 -4.365 1.00 9.83 O ATOM 922 CB VAL A 114 -21.670 -6.386 -2.993 1.00 10.87 C ATOM 923 CG1 VAL A 114 -21.492 -5.856 -1.585 1.00 11.19 C ATOM 924 CG2 VAL A 114 -22.337 -7.764 -2.940 1.00 11.35 C ATOM 925 N GLY A 115 -22.610 -3.003 -3.392 1.00 10.21 N ATOM 926 CA GLY A 115 -22.096 -1.674 -3.055 1.00 10.41 C ATOM 927 C GLY A 115 -21.588 -1.685 -1.632 1.00 10.56 C ATOM 928 O GLY A 115 -22.414 -1.628 -0.743 1.00 10.19 O ATOM 929 N ASN A 116 -20.275 -1.809 -1.448 1.00 10.62 N ATOM 930 CA ASN A 116 -19.658 -1.941 -0.112 1.00 11.11 C ATOM 931 C ASN A 116 -19.250 -0.543 0.380 1.00 11.82 C ATOM 932 O ASN A 116 -19.283 0.419 -0.418 1.00 11.42 O ATOM 933 CB ASN A 116 -18.517 -2.970 -0.077 1.00 10.85 C ATOM 934 CG ASN A 116 -17.901 -3.138 1.312 1.00 10.43 C ATOM 935 OD1 ASN A 116 -18.615 -3.247 2.315 1.00 9.96 O ATOM 936 ND2 ASN A 116 -16.580 -3.116 1.404 1.00 9.87 N ATOM 937 N LYS A 117 -18.994 -0.462 1.689 1.00 12.52 N ATOM 938 CA LYS A 117 -18.582 0.734 2.465 1.00 13.24 C ATOM 939 C LYS A 117 -19.794 1.661 2.586 1.00 14.16 C ATOM 940 O LYS A 117 -19.594 2.866 2.534 1.00 15.96 O ATOM 941 CB LYS A 117 -17.352 1.402 1.848 1.00 12.52 C ATOM 942 CG LYS A 117 -16.168 0.482 1.603 1.00 12.34 C ATOM 943 CD LYS A 117 -14.842 1.186 1.407 1.00 11.89 C ATOM 944 CE LYS A 117 -13.727 0.208 1.098 1.00 11.99 C ATOM 945 NZ LYS A 117 -12.532 0.837 0.482 1.00 11.16 N ATOM 946 N SER A 118 -20.979 1.120 2.860 1.00 14.41 N ATOM 947 CA SER A 118 -22.212 1.908 3.127 1.00 15.63 C ATOM 948 C SER A 118 -22.072 2.788 4.370 1.00 15.14 C ATOM 949 O SER A 118 -22.923 3.638 4.550 1.00 14.47 O ATOM 950 CB SER A 118 -23.432 1.024 3.274 1.00 17.04 C ATOM 951 OG SER A 118 -23.473 0.432 4.573 1.00 18.08 O ATOM 952 N ASP A 119 -21.069 2.593 5.213 1.00 16.59 N ATOM 953 CA ASP A 119 -20.910 3.424 6.437 1.00 18.40 C ATOM 954 C ASP A 119 -20.218 4.760 6.126 1.00 19.18 C ATOM 955 O ASP A 119 -20.312 5.676 6.955 1.00 18.35 O ATOM 956 CB ASP A 119 -20.091 2.709 7.502 1.00 18.44 C ATOM 957 CG ASP A 119 -18.723 2.342 6.992 1.00 18.90 C ATOM 958 OD1 ASP A 119 -18.678 1.426 6.122 1.00 20.31 O ATOM 959 OD2 ASP A 119 -17.733 2.989 7.439 1.00 17.92 O ATOM 960 N LEU A 120 -19.484 4.858 5.022 1.00 20.87 N ATOM 961 CA LEU A 120 -18.684 6.078 4.711 1.00 23.46 C ATOM 962 C LEU A 120 -19.627 7.235 4.340 1.00 24.15 C ATOM 963 O LEU A 120 -20.489 7.075 3.481 1.00 23.99 O ATOM 964 CB LEU A 120 -17.684 5.782 3.579 1.00 22.28 C ATOM 965 CG LEU A 120 -16.547 4.813 3.911 1.00 22.87 C ATOM 966 CD1 LEU A 120 -15.664 4.611 2.693 1.00 23.20 C ATOM 967 CD2 LEU A 120 -15.705 5.284 5.097 1.00 22.60 C ATOM 968 N PRO A 121 -19.495 8.430 4.963 1.00 25.10 N ATOM 969 CA PRO A 121 -20.189 9.639 4.502 1.00 27.63 C ATOM 970 C PRO A 121 -20.014 10.002 3.014 1.00 27.84 C ATOM 971 O PRO A 121 -20.970 10.429 2.394 1.00 27.03 O ATOM 972 CB PRO A 121 -19.533 10.759 5.343 1.00 28.81 C ATOM 973 CG PRO A 121 -18.273 10.129 5.919 1.00 27.38 C ATOM 974 CD PRO A 121 -18.676 8.694 6.157 1.00 26.47 C ATOM 975 N SER A 122 -18.810 9.815 2.469 1.00 27.62 N ATOM 976 CA SER A 122 -18.392 10.401 1.172 1.00 28.82 C ATOM 977 C SER A 122 -18.803 9.497 -0.002 1.00 27.45 C ATOM 978 O SER A 122 -17.924 8.928 -0.644 1.00 28.32 O ATOM 979 CB SER A 122 -16.910 10.669 1.175 1.00 30.76 C ATOM 980 OG SER A 122 -16.456 10.894 -0.154 1.00 33.06 O ATOM 981 N ARG A 123 -20.093 9.421 -0.311 1.00 26.55 N ATOM 982 CA ARG A 123 -20.633 8.613 -1.439 1.00 24.90 C ATOM 983 C ARG A 123 -20.429 9.351 -2.768 1.00 24.48 C ATOM 984 O ARG A 123 -20.760 10.557 -2.835 1.00 25.25 O ATOM 985 CB ARG A 123 -22.125 8.353 -1.242 1.00 24.13 C ATOM 986 CG ARG A 123 -22.779 7.713 -2.452 1.00 25.58 C ATOM 987 CD ARG A 123 -24.274 7.739 -2.347 1.00 26.80 C ATOM 988 NE ARG A 123 -24.766 6.830 -1.327 1.00 29.83 N ATOM 989 CZ ARG A 123 -24.905 5.515 -1.478 1.00 29.92 C ATOM 990 NH1 ARG A 123 -24.569 4.918 -2.613 1.00 31.13 N ATOM 991 NH2 ARG A 123 -25.394 4.803 -0.486 1.00 28.73 N ATOM 992 N THR A 124 -19.916 8.670 -3.798 1.00 23.69 N ATOM 993 CA THR A 124 -19.735 9.266 -5.153 1.00 23.16 C ATOM 994 C THR A 124 -20.548 8.468 -6.169 1.00 21.71 C ATOM 995 O THR A 124 -20.677 8.960 -7.300 1.00 23.43 O ATOM 996 CB THR A 124 -18.252 9.401 -5.534 1.00 24.67 C ATOM 997 OG1 THR A 124 -17.719 8.115 -5.871 1.00 23.08 O ATOM 998 CG2 THR A 124 -17.427 10.040 -4.429 1.00 24.01 C ATOM 999 N VAL A 125 -21.073 7.301 -5.780 1.00 20.88 N ATOM 1000 CA VAL A 125 -21.932 6.434 -6.644 1.00 21.12 C ATOM 1001 C VAL A 125 -23.305 6.341 -5.976 1.00 21.00 C ATOM 1002 O VAL A 125 -23.381 5.893 -4.812 1.00 19.80 O ATOM 1003 CB VAL A 125 -21.347 5.032 -6.915 1.00 20.37 C ATOM 1004 CG1 VAL A 125 -22.043 4.385 -8.101 1.00 20.15 C ATOM 1005 CG2 VAL A 125 -19.833 5.056 -7.140 1.00 21.43 C ATOM 1006 N ASP A 126 -24.348 6.745 -6.703 1.00 22.20 N ATOM 1007 CA ASP A 126 -25.714 6.865 -6.135 1.00 24.23 C ATOM 1008 C ASP A 126 -26.437 5.519 -6.257 1.00 21.79 C ATOM 1009 O ASP A 126 -26.294 4.823 -7.277 1.00 22.03 O ATOM 1010 CB ASP A 126 -26.463 8.082 -6.687 1.00 27.17 C ATOM 1011 CG ASP A 126 -26.782 8.071 -8.170 1.00 30.71 C ATOM 1012 OD1 ASP A 126 -25.827 8.009 -8.984 1.00 32.30 O ATOM 1013 OD2 ASP A 126 -27.994 8.182 -8.497 1.00 37.30 O ATOM 1014 N THR A 127 -27.146 5.169 -5.191 1.00 19.67 N ATOM 1015 CA THR A 127 -27.955 3.946 -5.068 1.00 19.65 C ATOM 1016 C THR A 127 -28.741 3.697 -6.352 1.00 18.29 C ATOM 1017 O THR A 127 -28.744 2.546 -6.800 1.00 17.51 O ATOM 1018 CB THR A 127 -28.841 4.073 -3.828 1.00 20.29 C ATOM 1019 OG1 THR A 127 -27.858 4.251 -2.805 1.00 23.10 O ATOM 1020 CG2 THR A 127 -29.741 2.881 -3.582 1.00 19.70 C ATOM 1021 N LYS A 128 -29.413 4.727 -6.876 1.00 18.95 N ATOM 1022 CA LYS A 128 -30.333 4.625 -8.046 1.00 19.86 C ATOM 1023 C LYS A 128 -29.575 4.094 -9.269 1.00 16.71 C ATOM 1024 O LYS A 128 -30.178 3.337 -10.035 1.00 13.77 O ATOM 1025 CB LYS A 128 -30.980 5.976 -8.368 1.00 22.55 C ATOM 1026 CG LYS A 128 -32.116 5.914 -9.386 1.00 25.38 C ATOM 1027 CD LYS A 128 -31.787 6.519 -10.732 1.00 28.77 C ATOM 1028 CE LYS A 128 -33.004 6.954 -11.529 1.00 31.10 C ATOM 1029 NZ LYS A 128 -33.879 5.806 -11.880 1.00 30.88 N ATOM 1030 N GLN A 129 -28.302 4.487 -9.420 1.00 15.20 N ATOM 1031 CA GLN A 129 -27.452 4.124 -10.585 1.00 14.50 C ATOM 1032 C GLN A 129 -27.075 2.640 -10.430 1.00 13.59 C ATOM 1033 O GLN A 129 -27.263 1.860 -11.384 1.00 12.19 O ATOM 1034 CB GLN A 129 -26.275 5.088 -10.616 1.00 14.48 C ATOM 1035 CG GLN A 129 -25.459 5.091 -11.891 1.00 14.70 C ATOM 1036 CD GLN A 129 -24.275 6.037 -11.826 1.00 15.09 C ATOM 1037 OE1 GLN A 129 -23.455 6.068 -12.744 1.00 14.92 O ATOM 1038 NE2 GLN A 129 -24.160 6.810 -10.746 1.00 14.66 N ATOM 1039 N ALA A 130 -26.648 2.266 -9.221 1.00 12.95 N ATOM 1040 CA ALA A 130 -26.320 0.877 -8.842 1.00 12.89 C ATOM 1041 C ALA A 130 -27.550 -0.004 -9.068 1.00 13.51 C ATOM 1042 O ALA A 130 -27.401 -1.086 -9.681 1.00 13.98 O ATOM 1043 CB ALA A 130 -25.829 0.827 -7.432 1.00 12.07 C ATOM 1044 N GLN A 131 -28.717 0.471 -8.632 1.00 13.85 N ATOM 1045 CA GLN A 131 -30.018 -0.234 -8.757 1.00 14.09 C ATOM 1046 C GLN A 131 -30.321 -0.448 -10.231 1.00 13.45 C ATOM 1047 O GLN A 131 -30.721 -1.577 -10.606 1.00 13.77 O ATOM 1048 CB GLN A 131 -31.146 0.586 -8.120 1.00 15.01 C ATOM 1049 CG GLN A 131 -31.215 0.468 -6.601 1.00 15.41 C ATOM 1050 CD GLN A 131 -32.090 1.527 -5.984 1.00 16.17 C ATOM 1051 OE1 GLN A 131 -32.330 2.578 -6.575 1.00 16.76 O ATOM 1052 NE2 GLN A 131 -32.568 1.258 -4.777 1.00 16.15 N ATOM 1053 N ASP A 132 -30.176 0.606 -11.028 1.00 12.70 N ATOM 1054 CA ASP A 132 -30.486 0.542 -12.479 1.00 12.59 C ATOM 1055 C ASP A 132 -29.526 -0.448 -13.161 1.00 11.63 C ATOM 1056 O ASP A 132 -29.988 -1.164 -14.068 1.00 11.38 O ATOM 1057 CB ASP A 132 -30.479 1.935 -13.123 1.00 13.36 C ATOM 1058 CG ASP A 132 -31.686 2.764 -12.738 1.00 13.59 C ATOM 1059 OD1 ASP A 132 -32.743 2.182 -12.506 1.00 15.61 O ATOM 1060 OD2 ASP A 132 -31.557 3.977 -12.640 1.00 15.72 O ATOM 1061 N LEU A 133 -28.268 -0.538 -12.720 1.00 10.89 N ATOM 1062 CA LEU A 133 -27.270 -1.464 -13.317 1.00 11.02 C ATOM 1063 C LEU A 133 -27.662 -2.921 -13.046 1.00 10.52 C ATOM 1064 O LEU A 133 -27.687 -3.709 -13.981 1.00 10.52 O ATOM 1065 CB LEU A 133 -25.874 -1.181 -12.760 1.00 11.62 C ATOM 1066 CG LEU A 133 -24.780 -1.993 -13.459 1.00 11.33 C ATOM 1067 CD1 LEU A 133 -24.715 -1.582 -14.914 1.00 11.38 C ATOM 1068 CD2 LEU A 133 -23.439 -1.829 -12.780 1.00 11.19 C ATOM 1069 N ALA A 134 -27.996 -3.240 -11.804 1.00 10.26 N ATOM 1070 CA ALA A 134 -28.460 -4.568 -11.343 1.00 9.98 C ATOM 1071 C ALA A 134 -29.763 -4.956 -12.044 1.00 10.06 C ATOM 1072 O ALA A 134 -29.904 -6.140 -12.461 1.00 10.87 O ATOM 1073 CB ALA A 134 -28.604 -4.542 -9.841 1.00 9.68 C ATOM 1074 N ARG A 135 -30.684 -4.009 -12.208 1.00 10.21 N ATOM 1075 CA ARG A 135 -31.976 -4.267 -12.915 1.00 9.98 C ATOM 1076 C ARG A 135 -31.688 -4.621 -14.379 1.00 10.12 C ATOM 1077 O ARG A 135 -32.376 -5.534 -14.902 1.00 9.86 O ATOM 1078 CB ARG A 135 -32.946 -3.093 -12.730 1.00 9.57 C ATOM 1079 CG ARG A 135 -33.893 -2.848 -13.892 1.00 9.57 C ATOM 1080 CD ARG A 135 -34.689 -1.593 -13.633 1.00 9.34 C ATOM 1081 NE ARG A 135 -35.924 -1.495 -14.399 1.00 9.14 N ATOM 1082 CZ ARG A 135 -36.038 -0.937 -15.613 1.00 9.40 C ATOM 1083 NH1 ARG A 135 -37.225 -0.832 -16.188 1.00 9.71 N ATOM 1084 NH2 ARG A 135 -34.989 -0.440 -16.238 1.00 9.19 N ATOM 1085 N SER A 136 -30.720 -3.966 -15.030 1.00 10.72 N ATOM 1086 CA SER A 136 -30.376 -4.236 -16.464 1.00 11.45 C ATOM 1087 C SER A 136 -29.574 -5.532 -16.637 1.00 11.30 C ATOM 1088 O SER A 136 -29.639 -6.090 -17.776 1.00 10.86 O ATOM 1089 CB SER A 136 -29.616 -3.120 -17.100 1.00 12.26 C ATOM 1090 OG SER A 136 -28.339 -2.990 -16.499 1.00 13.35 O ATOM 1091 N TYR A 137 -28.810 -5.956 -15.609 1.00 10.69 N ATOM 1092 CA TYR A 137 -28.111 -7.278 -15.573 1.00 10.45 C ATOM 1093 C TYR A 137 -29.097 -8.379 -15.168 1.00 10.32 C ATOM 1094 O TYR A 137 -28.783 -9.535 -15.362 1.00 10.41 O ATOM 1095 CB TYR A 137 -26.958 -7.348 -14.562 1.00 10.25 C ATOM 1096 CG TYR A 137 -25.742 -6.492 -14.833 1.00 10.66 C ATOM 1097 CD1 TYR A 137 -25.479 -5.945 -16.084 1.00 11.10 C ATOM 1098 CD2 TYR A 137 -24.850 -6.211 -13.817 1.00 10.62 C ATOM 1099 CE1 TYR A 137 -24.354 -5.166 -16.320 1.00 11.06 C ATOM 1100 CE2 TYR A 137 -23.731 -5.425 -14.033 1.00 11.17 C ATOM 1101 CZ TYR A 137 -23.471 -4.902 -15.291 1.00 10.98 C ATOM 1102 OH TYR A 137 -22.341 -4.163 -15.499 1.00 10.59 O ATOM 1103 N GLY A 138 -30.198 -8.038 -14.505 1.00 10.22 N ATOM 1104 CA GLY A 138 -31.179 -9.026 -14.016 1.00 10.28 C ATOM 1105 C GLY A 138 -30.739 -9.707 -12.724 1.00 9.77 C ATOM 1106 O GLY A 138 -31.221 -10.832 -12.446 1.00 9.47 O ATOM 1107 N ILE A 139 -29.944 -9.017 -11.912 1.00 9.44 N ATOM 1108 CA ILE A 139 -29.380 -9.585 -10.660 1.00 9.34 C ATOM 1109 C ILE A 139 -29.784 -8.700 -9.485 1.00 9.63 C ATOM 1110 O ILE A 139 -30.173 -7.554 -9.663 1.00 9.36 O ATOM 1111 CB ILE A 139 -27.864 -9.746 -10.854 1.00 9.48 C ATOM 1112 CG1 ILE A 139 -27.121 -8.408 -10.818 1.00 9.09 C ATOM 1113 CG2 ILE A 139 -27.585 -10.521 -12.150 1.00 9.16 C ATOM 1114 CD1 ILE A 139 -25.634 -8.528 -11.036 1.00 8.97 C ATOM 1115 N PRO A 140 -29.803 -9.231 -8.246 1.00 10.08 N ATOM 1116 CA PRO A 140 -30.120 -8.445 -7.073 1.00 10.01 C ATOM 1117 C PRO A 140 -28.954 -7.506 -6.785 1.00 10.51 C ATOM 1118 O PRO A 140 -27.863 -7.724 -7.318 1.00 10.18 O ATOM 1119 CB PRO A 140 -30.287 -9.443 -5.915 1.00 10.18 C ATOM 1120 CG PRO A 140 -30.164 -10.807 -6.534 1.00 10.16 C ATOM 1121 CD PRO A 140 -29.487 -10.618 -7.879 1.00 10.65 C ATOM 1122 N PHE A 141 -29.252 -6.473 -5.982 1.00 11.43 N ATOM 1123 CA PHE A 141 -28.304 -5.454 -5.482 1.00 11.57 C ATOM 1124 C PHE A 141 -28.389 -5.366 -3.951 1.00 11.59 C ATOM 1125 O PHE A 141 -29.477 -5.156 -3.374 1.00 10.54 O ATOM 1126 CB PHE A 141 -28.560 -4.093 -6.136 1.00 11.74 C ATOM 1127 CG PHE A 141 -27.690 -2.998 -5.573 1.00 11.78 C ATOM 1128 CD1 PHE A 141 -26.313 -3.118 -5.592 1.00 11.68 C ATOM 1129 CD2 PHE A 141 -28.241 -1.893 -4.940 1.00 12.23 C ATOM 1130 CE1 PHE A 141 -25.501 -2.122 -5.075 1.00 11.67 C ATOM 1131 CE2 PHE A 141 -27.427 -0.895 -4.416 1.00 11.84 C ATOM 1132 CZ PHE A 141 -26.063 -1.020 -4.473 1.00 11.72 C ATOM 1133 N ILE A 142 -27.231 -5.471 -3.295 1.00 12.31 N ATOM 1134 CA ILE A 142 -27.149 -5.324 -1.817 1.00 12.55 C ATOM 1135 C ILE A 142 -26.003 -4.372 -1.467 1.00 13.07 C ATOM 1136 O ILE A 142 -24.900 -4.497 -2.021 1.00 12.39 O ATOM 1137 CB ILE A 142 -27.117 -6.715 -1.152 1.00 12.69 C ATOM 1138 CG1 ILE A 142 -28.436 -7.435 -1.444 1.00 12.62 C ATOM 1139 CG2 ILE A 142 -26.868 -6.627 0.350 1.00 12.32 C ATOM 1140 CD1 ILE A 142 -28.388 -8.910 -1.267 1.00 13.48 C ATOM 1141 N GLU A 143 -26.357 -3.386 -0.647 1.00 14.49 N ATOM 1142 CA GLU A 143 -25.477 -2.391 0.019 1.00 16.35 C ATOM 1143 C GLU A 143 -24.944 -3.060 1.279 1.00 15.19 C ATOM 1144 O GLU A 143 -25.766 -3.660 2.007 1.00 14.77 O ATOM 1145 CB GLU A 143 -26.252 -1.134 0.425 1.00 17.89 C ATOM 1146 CG GLU A 143 -27.347 -0.796 -0.558 1.00 20.37 C ATOM 1147 CD GLU A 143 -28.282 0.327 -0.162 1.00 23.27 C ATOM 1148 OE1 GLU A 143 -27.811 1.238 0.576 1.00 25.23 O ATOM 1149 OE2 GLU A 143 -29.474 0.287 -0.616 1.00 22.60 O ATOM 1150 N THR A 144 -23.633 -2.987 1.481 1.00 14.56 N ATOM 1151 CA THR A 144 -22.909 -3.660 2.578 1.00 14.45 C ATOM 1152 C THR A 144 -21.902 -2.688 3.190 1.00 15.00 C ATOM 1153 O THR A 144 -21.394 -1.806 2.474 1.00 15.20 O ATOM 1154 CB THR A 144 -22.240 -4.946 2.084 1.00 13.98 C ATOM 1155 OG1 THR A 144 -21.249 -4.551 1.141 1.00 14.31 O ATOM 1156 CG2 THR A 144 -23.208 -5.926 1.447 1.00 13.97 C ATOM 1157 N SER A 145 -21.646 -2.866 4.484 1.00 15.72 N ATOM 1158 CA SER A 145 -20.451 -2.371 5.212 1.00 15.72 C ATOM 1159 C SER A 145 -19.820 -3.546 5.968 1.00 16.29 C ATOM 1160 O SER A 145 -20.434 -4.003 6.947 1.00 16.38 O ATOM 1161 CB SER A 145 -20.827 -1.261 6.155 1.00 15.28 C ATOM 1162 OG SER A 145 -19.748 -0.949 7.031 1.00 14.95 O ATOM 1163 N ALA A 146 -18.652 -4.013 5.521 1.00 17.57 N ATOM 1164 CA ALA A 146 -17.766 -4.969 6.235 1.00 18.53 C ATOM 1165 C ALA A 146 -17.410 -4.420 7.630 1.00 18.88 C ATOM 1166 O ALA A 146 -17.214 -5.223 8.562 1.00 19.27 O ATOM 1167 CB ALA A 146 -16.530 -5.256 5.409 1.00 17.82 C ATOM 1168 N LYS A 147 -17.383 -3.100 7.801 1.00 18.87 N ATOM 1169 CA LYS A 147 -17.070 -2.476 9.109 1.00 18.80 C ATOM 1170 C LYS A 147 -18.219 -2.738 10.088 1.00 18.50 C ATOM 1171 O LYS A 147 -17.956 -3.363 11.104 1.00 18.97 O ATOM 1172 CB LYS A 147 -16.737 -0.998 8.911 1.00 19.35 C ATOM 1173 CG LYS A 147 -16.208 -0.285 10.143 1.00 20.46 C ATOM 1174 CD LYS A 147 -15.881 1.152 9.874 1.00 21.86 C ATOM 1175 CE LYS A 147 -15.089 1.799 10.989 1.00 24.05 C ATOM 1176 NZ LYS A 147 -15.613 3.157 11.273 1.00 25.48 N ATOM 1177 N THR A 148 -19.443 -2.311 9.782 1.00 18.86 N ATOM 1178 CA THR A 148 -20.618 -2.401 10.687 1.00 20.37 C ATOM 1179 C THR A 148 -21.319 -3.773 10.569 1.00 23.90 C ATOM 1180 O THR A 148 -22.233 -4.048 11.407 1.00 22.10 O ATOM 1181 CB THR A 148 -21.560 -1.231 10.393 1.00 19.96 C ATOM 1182 OG1 THR A 148 -22.057 -1.440 9.080 1.00 19.30 O ATOM 1183 CG2 THR A 148 -20.897 0.132 10.481 1.00 19.31 C ATOM 1184 N ARG A 149 -20.917 -4.580 9.565 1.00 25.65 N ATOM 1185 CA ARG A 149 -21.459 -5.920 9.177 1.00 27.24 C ATOM 1186 C ARG A 149 -22.871 -5.852 8.557 1.00 25.52 C ATOM 1187 O ARG A 149 -23.457 -6.909 8.300 1.00 25.14 O ATOM 1188 CB ARG A 149 -21.405 -6.876 10.372 1.00 29.62 C ATOM 1189 CG ARG A 149 -20.922 -8.271 9.992 1.00 31.97 C ATOM 1190 CD ARG A 149 -21.057 -9.293 11.118 1.00 34.46 C ATOM 1191 NE ARG A 149 -20.515 -10.616 10.805 1.00 34.60 N ATOM 1192 CZ ARG A 149 -21.114 -11.550 10.064 1.00 34.30 C ATOM 1193 NH1 ARG A 149 -22.294 -11.317 9.508 1.00 35.08 N ATOM 1194 NH2 ARG A 149 -20.526 -12.723 9.882 1.00 31.40 N ATOM 1195 N GLN A 150 -23.409 -4.670 8.284 1.00 26.29 N ATOM 1196 CA GLN A 150 -24.731 -4.514 7.634 1.00 25.85 C ATOM 1197 C GLN A 150 -24.626 -5.152 6.244 1.00 22.28 C ATOM 1198 O GLN A 150 -23.679 -4.813 5.539 1.00 23.48 O ATOM 1199 CB GLN A 150 -25.086 -3.022 7.619 1.00 30.70 C ATOM 1200 CG GLN A 150 -26.469 -2.667 7.065 1.00 36.43 C ATOM 1201 CD GLN A 150 -27.659 -2.819 8.001 1.00 43.91 C ATOM 1202 OE1 GLN A 150 -28.809 -2.852 7.544 1.00 48.96 O ATOM 1203 NE2 GLN A 150 -27.426 -2.887 9.311 1.00 40.18 N ATOM 1204 N GLY A 151 -25.507 -6.100 5.910 1.00 19.34 N ATOM 1205 CA GLY A 151 -25.768 -6.585 4.539 1.00 18.04 C ATOM 1206 C GLY A 151 -24.802 -7.670 4.090 1.00 17.65 C ATOM 1207 O GLY A 151 -24.980 -8.198 2.914 1.00 15.39 O ATOM 1208 N VAL A 152 -23.788 -7.964 4.928 1.00 15.23 N ATOM 1209 CA VAL A 152 -22.766 -9.016 4.667 1.00 14.85 C ATOM 1210 C VAL A 152 -23.486 -10.366 4.466 1.00 14.50 C ATOM 1211 O VAL A 152 -23.454 -10.870 3.339 1.00 13.48 O ATOM 1212 CB VAL A 152 -21.718 -9.060 5.796 1.00 14.59 C ATOM 1213 CG1 VAL A 152 -20.824 -10.280 5.689 1.00 13.82 C ATOM 1214 CG2 VAL A 152 -20.887 -7.778 5.845 1.00 14.84 C ATOM 1215 N ASP A 153 -24.127 -10.902 5.516 1.00 15.34 N ATOM 1216 CA ASP A 153 -24.971 -12.136 5.510 1.00 16.63 C ATOM 1217 C ASP A 153 -25.889 -12.183 4.286 1.00 16.15 C ATOM 1218 O ASP A 153 -25.798 -13.112 3.472 1.00 16.79 O ATOM 1219 CB ASP A 153 -25.924 -12.166 6.704 1.00 18.33 C ATOM 1220 CG ASP A 153 -25.319 -12.692 7.986 1.00 19.77 C ATOM 1221 OD1 ASP A 153 -24.122 -13.026 7.976 1.00 23.30 O ATOM 1222 OD2 ASP A 153 -26.057 -12.758 8.986 1.00 23.06 O ATOM 1223 N ASP A 154 -26.733 -11.175 4.155 1.00 15.91 N ATOM 1224 CA ASP A 154 -27.787 -11.116 3.111 1.00 16.43 C ATOM 1225 C ASP A 154 -27.167 -11.021 1.708 1.00 14.36 C ATOM 1226 O ASP A 154 -27.868 -11.402 0.782 1.00 13.28 O ATOM 1227 CB ASP A 154 -28.793 -10.013 3.456 1.00 18.12 C ATOM 1228 CG ASP A 154 -29.530 -10.266 4.787 1.00 20.36 C ATOM 1229 OD1 ASP A 154 -29.611 -11.461 5.273 1.00 20.64 O ATOM 1230 OD2 ASP A 154 -30.008 -9.267 5.361 1.00 23.24 O ATOM 1231 N ALA A 155 -25.882 -10.673 1.566 1.00 13.36 N ATOM 1232 CA ALA A 155 -25.194 -10.549 0.251 1.00 12.88 C ATOM 1233 C ALA A 155 -24.767 -11.936 -0.222 1.00 12.35 C ATOM 1234 O ALA A 155 -25.028 -12.277 -1.402 1.00 12.24 O ATOM 1235 CB ALA A 155 -24.003 -9.619 0.308 1.00 12.49 C ATOM 1236 N PHE A 156 -24.108 -12.673 0.668 1.00 12.45 N ATOM 1237 CA PHE A 156 -23.718 -14.094 0.476 1.00 12.88 C ATOM 1238 C PHE A 156 -24.971 -14.987 0.415 1.00 12.80 C ATOM 1239 O PHE A 156 -25.056 -15.816 -0.495 1.00 13.75 O ATOM 1240 CB PHE A 156 -22.707 -14.505 1.555 1.00 12.97 C ATOM 1241 CG PHE A 156 -21.351 -13.837 1.419 1.00 13.12 C ATOM 1242 CD1 PHE A 156 -20.401 -14.315 0.518 1.00 12.74 C ATOM 1243 CD2 PHE A 156 -21.020 -12.729 2.190 1.00 12.50 C ATOM 1244 CE1 PHE A 156 -19.162 -13.691 0.388 1.00 12.84 C ATOM 1245 CE2 PHE A 156 -19.790 -12.106 2.047 1.00 12.47 C ATOM 1246 CZ PHE A 156 -18.855 -12.595 1.162 1.00 12.37 C ATOM 1247 N TYR A 157 -25.926 -14.843 1.327 1.00 13.09 N ATOM 1248 CA TYR A 157 -27.151 -15.693 1.334 1.00 14.44 C ATOM 1249 C TYR A 157 -27.961 -15.483 0.052 1.00 13.83 C ATOM 1250 O TYR A 157 -28.501 -16.476 -0.474 1.00 16.47 O ATOM 1251 CB TYR A 157 -28.022 -15.428 2.560 1.00 16.12 C ATOM 1252 CG TYR A 157 -27.416 -15.864 3.868 1.00 18.24 C ATOM 1253 CD1 TYR A 157 -26.082 -16.251 3.949 1.00 19.82 C ATOM 1254 CD2 TYR A 157 -28.164 -15.859 5.034 1.00 19.70 C ATOM 1255 CE1 TYR A 157 -25.507 -16.620 5.153 1.00 21.88 C ATOM 1256 CE2 TYR A 157 -27.600 -16.233 6.248 1.00 22.32 C ATOM 1257 CZ TYR A 157 -26.270 -16.624 6.306 1.00 22.17 C ATOM 1258 OH TYR A 157 -25.687 -17.024 7.471 1.00 23.44 O ATOM 1259 N THR A 158 -28.045 -14.250 -0.444 1.00 12.69 N ATOM 1260 CA THR A 158 -28.790 -13.914 -1.686 1.00 12.31 C ATOM 1261 C THR A 158 -28.092 -14.599 -2.869 1.00 12.33 C ATOM 1262 O THR A 158 -28.807 -15.113 -3.752 1.00 11.91 O ATOM 1263 CB THR A 158 -28.973 -12.394 -1.815 1.00 12.34 C ATOM 1264 OG1 THR A 158 -29.668 -11.933 -0.651 1.00 11.37 O ATOM 1265 CG2 THR A 158 -29.737 -11.986 -3.058 1.00 12.16 C ATOM 1266 N LEU A 159 -26.753 -14.705 -2.838 1.00 12.54 N ATOM 1267 CA LEU A 159 -25.968 -15.395 -3.883 1.00 12.05 C ATOM 1268 C LEU A 159 -26.289 -16.893 -3.858 1.00 13.31 C ATOM 1269 O LEU A 159 -26.625 -17.462 -4.906 1.00 12.46 O ATOM 1270 CB LEU A 159 -24.478 -15.131 -3.678 1.00 11.54 C ATOM 1271 CG LEU A 159 -23.601 -15.671 -4.812 1.00 10.20 C ATOM 1272 CD1 LEU A 159 -24.146 -15.237 -6.150 1.00 10.32 C ATOM 1273 CD2 LEU A 159 -22.182 -15.227 -4.662 1.00 9.84 C ATOM 1274 N VAL A 160 -26.186 -17.512 -2.683 1.00 15.17 N ATOM 1275 CA VAL A 160 -26.649 -18.911 -2.442 1.00 15.54 C ATOM 1276 C VAL A 160 -28.060 -19.091 -3.039 1.00 16.38 C ATOM 1277 O VAL A 160 -28.237 -19.957 -3.896 1.00 16.26 O ATOM 1278 CB VAL A 160 -26.573 -19.241 -0.941 1.00 15.90 C ATOM 1279 CG1 VAL A 160 -27.430 -20.437 -0.562 1.00 16.10 C ATOM 1280 CG2 VAL A 160 -25.127 -19.465 -0.511 1.00 16.04 C ATOM 1281 N ARG A 161 -29.032 -18.258 -2.668 1.00 17.58 N ATOM 1282 CA ARG A 161 -30.428 -18.396 -3.161 1.00 17.09 C ATOM 1283 C ARG A 161 -30.495 -18.195 -4.670 1.00 17.28 C ATOM 1284 O ARG A 161 -31.359 -18.826 -5.310 1.00 21.49 O ATOM 1285 CB ARG A 161 -31.355 -17.437 -2.422 1.00 17.82 C ATOM 1286 CG ARG A 161 -31.505 -17.803 -0.956 1.00 18.83 C ATOM 1287 CD ARG A 161 -32.285 -16.749 -0.226 1.00 19.50 C ATOM 1288 NE ARG A 161 -32.269 -17.038 1.197 1.00 20.96 N ATOM 1289 CZ ARG A 161 -31.927 -16.168 2.156 1.00 21.62 C ATOM 1290 NH1 ARG A 161 -31.552 -14.937 1.861 1.00 22.26 N ATOM 1291 NH2 ARG A 161 -31.951 -16.540 3.419 1.00 21.74 N ATOM 1292 N GLU A 162 -29.624 -17.374 -5.247 1.00 17.02 N ATOM 1293 CA GLU A 162 -29.530 -17.232 -6.723 1.00 15.24 C ATOM 1294 C GLU A 162 -28.959 -18.521 -7.341 1.00 16.36 C ATOM 1295 O GLU A 162 -29.468 -18.940 -8.420 1.00 15.85 O ATOM 1296 CB GLU A 162 -28.722 -15.984 -7.070 1.00 14.50 C ATOM 1297 CG GLU A 162 -29.518 -14.689 -6.906 1.00 13.38 C ATOM 1298 CD GLU A 162 -30.741 -14.532 -7.804 1.00 12.20 C ATOM 1299 OE1 GLU A 162 -30.598 -14.604 -9.026 1.00 11.82 O ATOM 1300 OE2 GLU A 162 -31.827 -14.324 -7.275 1.00 11.62 O ATOM 1301 N ILE A 163 -27.979 -19.163 -6.695 1.00 16.36 N ATOM 1302 CA ILE A 163 -27.396 -20.432 -7.219 1.00 17.95 C ATOM 1303 C ILE A 163 -28.451 -21.562 -7.159 1.00 19.74 C ATOM 1304 O ILE A 163 -28.498 -22.328 -8.125 1.00 19.26 O ATOM 1305 CB ILE A 163 -26.081 -20.802 -6.502 1.00 16.87 C ATOM 1306 CG1 ILE A 163 -24.999 -19.732 -6.681 1.00 16.06 C ATOM 1307 CG2 ILE A 163 -25.597 -22.166 -6.976 1.00 16.73 C ATOM 1308 CD1 ILE A 163 -23.910 -19.758 -5.634 1.00 15.36 C ATOM 1309 N ARG A 164 -29.262 -21.663 -6.092 1.00 24.23 N ATOM 1310 CA ARG A 164 -30.361 -22.680 -5.920 1.00 26.66 C ATOM 1311 C ARG A 164 -31.432 -22.545 -7.001 1.00 26.69 C ATOM 1312 O ARG A 164 -31.847 -23.559 -7.541 1.00 29.83 O ATOM 1313 CB ARG A 164 -31.144 -22.509 -4.622 1.00 28.42 C ATOM 1314 CG ARG A 164 -30.489 -23.129 -3.404 1.00 30.84 C ATOM 1315 CD ARG A 164 -31.359 -22.835 -2.199 1.00 35.31 C ATOM 1316 NE ARG A 164 -30.629 -23.063 -0.958 1.00 40.63 N ATOM 1317 CZ ARG A 164 -31.042 -22.697 0.256 1.00 42.05 C ATOM 1318 NH1 ARG A 164 -32.201 -22.066 0.413 1.00 40.55 N ATOM 1319 NH2 ARG A 164 -30.280 -22.971 1.305 1.00 39.69 N ATOM 1320 N LYS A 165 -31.875 -21.328 -7.288 1.00 28.38 N ATOM 1321 CA LYS A 165 -32.846 -21.044 -8.376 1.00 30.62 C ATOM 1322 C LYS A 165 -32.270 -21.522 -9.719 1.00 30.74 C ATOM 1323 O LYS A 165 -33.059 -22.083 -10.499 1.00 29.61 O ATOM 1324 CB LYS A 165 -33.252 -19.569 -8.310 1.00 31.53 C ATOM 1325 CG LYS A 165 -34.106 -19.290 -7.087 1.00 34.93 C ATOM 1326 CD LYS A 165 -34.149 -17.865 -6.579 1.00 38.26 C ATOM 1327 CE LYS A 165 -34.780 -17.822 -5.196 1.00 36.91 C ATOM 1328 NZ LYS A 165 -35.702 -16.675 -5.030 1.00 35.70 N ATOM 1329 N HIS A 166 -30.960 -21.352 -9.949 1.00 31.05 N ATOM 1330 CA HIS A 166 -30.192 -21.887 -11.117 1.00 33.02 C ATOM 1331 C HIS A 166 -30.141 -23.423 -11.062 1.00 34.56 C ATOM 1332 O HIS A 166 -30.210 -23.991 -9.962 1.00 36.90 O ATOM 1333 CB HIS A 166 -28.796 -21.246 -11.133 1.00 30.29 C ATOM 1334 CG HIS A 166 -28.020 -21.409 -12.402 1.00 29.69 C ATOM 1335 ND1 HIS A 166 -28.210 -20.584 -13.509 1.00 28.18 N ATOM 1336 CD2 HIS A 166 -27.005 -22.250 -12.722 1.00 25.94 C ATOM 1337 CE1 HIS A 166 -27.371 -20.942 -14.466 1.00 25.95 C ATOM 1338 NE2 HIS A 166 -26.618 -21.958 -13.998 1.00 25.09 N ATOM 1339 N LYS A 167 -30.049 -24.111 -12.195 1.00 41.67 N ATOM 1340 CA LYS A 167 -29.992 -25.611 -12.195 1.00 52.99 C ATOM 1341 C LYS A 167 -28.983 -26.105 -13.250 1.00 53.87 C ATOM 1342 O LYS A 167 -29.323 -26.861 -14.164 1.00 51.93 O ATOM 1343 CB LYS A 167 -31.389 -26.218 -12.417 1.00 55.09 C ATOM 1344 CG LYS A 167 -32.454 -25.856 -11.382 1.00 50.06 C ATOM 1345 CD LYS A 167 -33.868 -25.933 -11.907 1.00 47.92 C ATOM 1346 CE LYS A 167 -34.839 -25.073 -11.124 1.00 48.74 C ATOM 1347 NZ LYS A 167 -34.632 -25.165 -9.658 1.00 46.90 N TER 1348 LYS A 167 ATOM 2694 MG MG A 201 -7.870 -8.746 -0.721 1.00 1.58 MG ATOM 2695 PB GLY B 202 -9.894 -5.950 -1.269 1.00 11.83 P ATOM 2696 O1B GLY B 202 -8.750 -5.407 -2.068 1.00 12.42 O ATOM 2697 O2B GLY B 202 -11.216 -6.010 -1.977 1.00 12.57 O ATOM 2698 O3B GLY B 202 -9.528 -7.243 -0.615 1.00 12.47 O ATOM 2699 O3A GLY B 202 -10.132 -4.803 -0.125 1.00 12.00 O ATOM 2700 PA GLY B 202 -9.940 -4.957 1.494 1.00 13.71 P ATOM 2701 O1A GLY B 202 -8.485 -5.287 1.703 1.00 12.17 O ATOM 2702 O2A GLY B 202 -10.978 -5.846 2.139 1.00 11.91 O ATOM 2703 O5' GLY B 202 -10.296 -3.467 2.084 1.00 13.38 O ATOM 2704 C5' GLY B 202 -9.693 -2.259 1.567 1.00 13.55 C ATOM 2705 C4' GLY B 202 -9.670 -1.196 2.650 1.00 13.71 C ATOM 2706 O4' GLY B 202 -11.012 -0.817 2.848 1.00 14.40 O ATOM 2707 C3' GLY B 202 -9.214 -1.788 3.984 1.00 14.53 C ATOM 2708 O3' GLY B 202 -8.263 -0.934 4.630 1.00 14.92 O ATOM 2709 C2' GLY B 202 -10.478 -2.036 4.774 1.00 14.45 C ATOM 2710 O2' GLY B 202 -10.378 -1.834 6.170 1.00 15.77 O ATOM 2711 C1' GLY B 202 -11.413 -1.019 4.202 1.00 14.62 C ATOM 2712 N9 GLY B 202 -12.789 -1.499 4.134 1.00 14.95 N ATOM 2713 C8 GLY B 202 -13.226 -2.647 3.592 1.00 14.46 C ATOM 2714 N7 GLY B 202 -14.563 -2.699 3.683 1.00 14.14 N ATOM 2715 C5 GLY B 202 -14.978 -1.613 4.299 1.00 13.83 C ATOM 2716 C6 GLY B 202 -16.261 -1.084 4.725 1.00 13.53 C ATOM 2717 O6 GLY B 202 -17.288 -1.732 4.490 1.00 12.15 O ATOM 2718 N1 GLY B 202 -16.258 0.100 5.370 1.00 14.38 N ATOM 2719 C2 GLY B 202 -15.122 0.808 5.598 1.00 15.59 C ATOM 2720 N2 GLY B 202 -15.141 2.003 6.232 1.00 15.67 N ATOM 2721 N3 GLY B 202 -13.892 0.337 5.239 1.00 16.39 N ATOM 2722 C4 GLY B 202 -13.793 -0.831 4.593 1.00 14.77 C ATOM 2723 C1 VAL C 203 -5.516 -6.590 -5.691 1.00 10.95 C ATOM 2724 C2 VAL C 203 -6.946 -7.009 -6.009 1.00 10.09 C ATOM 2725 C3 VAL C 203 -6.450 -6.764 -8.464 1.00 9.04 C ATOM 2726 C7 VAL C 203 -9.135 -9.132 -13.213 1.00 8.29 C ATOM 2727 C8 VAL C 203 -9.799 -10.150 -13.920 1.00 8.22 C ATOM 2728 C9 VAL C 203 -10.279 -11.291 -13.335 1.00 8.41 C ATOM 2729 C10 VAL C 203 -10.195 -11.407 -11.942 1.00 8.80 C ATOM 2730 C11 VAL C 203 -9.567 -10.450 -11.187 1.00 8.58 C ATOM 2731 C12 VAL C 203 -9.764 -9.533 -8.977 1.00 8.74 C ATOM 2732 C13 VAL C 203 -8.492 -8.790 -8.710 1.00 8.69 C ATOM 2733 C14 VAL C 203 -8.632 -7.576 -7.815 1.00 8.92 C ATOM 2734 C15 VAL C 203 -10.687 -12.425 -14.208 1.00 7.85 C ATOM 2735 C16 VAL C 203 -12.049 -12.726 -14.400 1.00 8.07 C ATOM 2736 C19 VAL C 203 -10.135 -14.283 -15.669 1.00 7.37 C ATOM 2737 C20 VAL C 203 -9.716 -13.214 -14.858 1.00 7.60 C ATOM 2738 C21 VAL C 203 -8.309 -13.193 -15.000 1.00 7.79 C ATOM 2739 C22 VAL C 203 -13.124 -11.934 -13.705 1.00 8.02 C ATOM 2740 CL CL C 203 -10.774 -12.835 -11.141 1.00 10.55 CL ATOM 2741 C6 VAL C 203 -8.956 -9.303 -11.806 1.00 8.45 C ATOM 2742 O1 VAL C 203 -9.628 -10.678 -9.836 1.00 8.70 O ATOM 2743 N1 VAL C 203 -7.734 -8.302 -9.869 1.00 8.61 N ATOM 2744 C4 VAL C 203 -6.384 -7.861 -9.498 1.00 8.82 C ATOM 2745 N VAL C 203 -7.317 -7.156 -7.319 1.00 9.40 N ATOM 2746 O VAL C 203 -7.744 -7.138 -5.069 1.00 9.73 O ATOM 2747 C VAL C 203 -5.383 -5.312 -4.809 1.00 12.36 C ATOM 2748 N4 VAL C 203 -8.784 -7.994 -13.899 1.00 8.47 N ATOM 2749 C23 VAL C 203 -8.259 -7.043 -13.169 1.00 8.45 C ATOM 2750 N5 VAL C 203 -7.949 -7.063 -11.866 1.00 8.73 N ATOM 2751 C5 VAL C 203 -8.259 -8.193 -11.206 1.00 8.58 C ATOM 2752 N2 VAL C 203 -7.895 -14.128 -15.834 1.00 7.90 N ATOM 2753 N3 VAL C 203 -9.013 -14.793 -16.236 1.00 7.66 N ATOM 2754 C18 VAL C 203 -11.469 -14.614 -15.829 1.00 7.38 C ATOM 2755 C17 VAL C 203 -12.409 -13.824 -15.199 1.00 7.73 C ATOM 2756 CA CA D 204 1.926 -13.031 -13.148 1.00 27.07 CA CONECT 100 2747 CONECT 130 2694 CONECT 497 2756 CONECT 498 2756 CONECT 1448 2810 CONECT 1478 2757 CONECT 2694 130 2698 2819 2824 CONECT 2694 2832 2839 CONECT 2695 2696 2697 2698 2699 CONECT 2696 2695 CONECT 2697 2695 CONECT 2698 2694 2695 CONECT 2699 2695 2700 CONECT 2700 2699 2701 2702 2703 CONECT 2701 2700 CONECT 2702 2700 CONECT 2703 2700 2704 CONECT 2704 2703 2705 CONECT 2705 2704 2706 2707 CONECT 2706 2705 2711 CONECT 2707 2705 2708 2709 CONECT 2708 2707 CONECT 2709 2707 2710 2711 CONECT 2710 2709 CONECT 2711 2706 2709 2712 CONECT 2712 2711 2713 2722 CONECT 2713 2712 2714 CONECT 2714 2713 2715 CONECT 2715 2714 2716 2722 CONECT 2716 2715 2717 2718 CONECT 2717 2716 CONECT 2718 2716 2719 CONECT 2719 2718 2720 2721 CONECT 2720 2719 CONECT 2721 2719 2722 CONECT 2722 2712 2715 2721 CONECT 2723 2724 2747 CONECT 2724 2723 2745 2746 CONECT 2725 2744 2745 CONECT 2726 2727 2741 2748 CONECT 2727 2726 2728 CONECT 2728 2727 2729 2734 CONECT 2729 2728 2730 2740 CONECT 2730 2729 2741 2742 CONECT 2731 2732 2742 CONECT 2732 2731 2733 2743 CONECT 2733 2732 2745 CONECT 2734 2728 2735 2737 CONECT 2735 2734 2739 2755 CONECT 2736 2737 2753 2754 CONECT 2737 2734 2736 2738 CONECT 2738 2737 2752 CONECT 2739 2735 CONECT 2740 2729 CONECT 2741 2726 2730 2751 CONECT 2742 2730 2731 CONECT 2743 2732 2744 2751 CONECT 2744 2725 2743 CONECT 2745 2724 2725 2733 CONECT 2746 2724 CONECT 2747 100 2723 CONECT 2748 2726 2749 CONECT 2749 2748 2750 CONECT 2750 2749 2751 CONECT 2751 2741 2743 2750 CONECT 2752 2738 2753 CONECT 2753 2736 2752 CONECT 2754 2736 2755 CONECT 2755 2735 2754 CONECT 2756 497 498 CONECT 2757 1478 2759 2877 2878 CONECT 2757 2880 2882 CONECT 2758 2759 2760 2761 2762 CONECT 2759 2757 2758 CONECT 2760 2758 CONECT 2761 2758 CONECT 2762 2758 2763 CONECT 2763 2762 2764 2765 2766 CONECT 2764 2763 CONECT 2765 2763 CONECT 2766 2763 2767 CONECT 2767 2766 2768 CONECT 2768 2767 2769 2770 CONECT 2769 2768 2774 CONECT 2770 2768 2771 2772 CONECT 2771 2770 CONECT 2772 2770 2773 2774 CONECT 2773 2772 CONECT 2774 2769 2772 2775 CONECT 2775 2774 2776 2785 CONECT 2776 2775 2777 CONECT 2777 2776 2778 CONECT 2778 2777 2779 2785 CONECT 2779 2778 2780 2781 CONECT 2780 2779 CONECT 2781 2779 2782 CONECT 2782 2781 2783 2784 CONECT 2783 2782 CONECT 2784 2782 2785 CONECT 2785 2775 2778 2784 CONECT 2786 2787 2810 CONECT 2787 2786 2808 2809 CONECT 2788 2807 2808 CONECT 2789 2790 2804 2811 CONECT 2790 2789 2791 CONECT 2791 2790 2792 2797 CONECT 2792 2791 2793 2803 CONECT 2793 2792 2804 2805 CONECT 2794 2795 2805 CONECT 2795 2794 2796 2806 CONECT 2796 2795 2808 CONECT 2797 2791 2798 2800 CONECT 2798 2797 2802 2818 CONECT 2799 2800 2816 2817 CONECT 2800 2797 2799 2801 CONECT 2801 2800 2815 CONECT 2802 2798 CONECT 2803 2792 CONECT 2804 2789 2793 2814 CONECT 2805 2793 2794 CONECT 2806 2795 2807 2814 CONECT 2807 2788 2806 CONECT 2808 2787 2788 2796 CONECT 2809 2787 CONECT 2810 1448 2786 CONECT 2811 2789 2812 CONECT 2812 2811 2813 CONECT 2813 2812 2814 CONECT 2814 2804 2806 2813 CONECT 2815 2801 2816 CONECT 2816 2799 2815 CONECT 2817 2799 2818 CONECT 2818 2798 2817 CONECT 2819 2694 CONECT 2824 2694 CONECT 2832 2694 CONECT 2839 2694 CONECT 2877 2757 CONECT 2878 2757 CONECT 2880 2757 CONECT 2882 2757 MASTER 297 0 7 12 12 0 0 6 2881 2 141 26 END If you find results from this site helpful for your research, please cite one of our papers:
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