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GAP 4.8.9 installation with standard packages -- copy to your CoCalc project to get it
Project: cocalc-sagemath-dev-slelievre
Views: 418425HEADER TRANSFERASE 17-OCT-03 1V2X TITLE TRMH COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRNA (GM18) METHYLTRANSFERASE; COMPND 3 CHAIN: A; COMPND 4 EC: 2.1.1.34; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA; SOURCE 5 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 7108; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: BACUROVIRUS KEYWDS DEEP TREFOIL KNOT, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, KEYWDS 2 RSGI, STRUCTURAL GENOMICS, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR O.NUREKI,K.WATANABE,S.FUKAI,R.ISHII,Y.ENDO,H.HORI,S.YOKOYAMA,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 13-JUL-11 1V2X 1 VERSN REVDAT 2 24-FEB-09 1V2X 1 VERSN REVDAT 1 04-MAY-04 1V2X 0 JRNL AUTH O.NUREKI,K.WATANABE,S.FUKAI,R.ISHII,Y.ENDO,H.HORI,S.YOKOYAMA JRNL TITL DEEP KNOT STRUCTURE FOR CONSTRUCTION OF ACTIVE SITE AND JRNL TITL 2 COFACTOR BINDING SITE OF TRNA MODIFICATION ENZYME JRNL REF STRUCTURE V. 12 593 2004 JRNL REFN ISSN 0969-2126 JRNL PMID 15062082 JRNL DOI 10.1016/J.STR.2004.03.003 REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 34.37 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1127109.350 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 91.6 REMARK 3 NUMBER OF REFLECTIONS : 24289 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.225 REMARK 3 FREE R VALUE : 0.277 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.900 REMARK 3 FREE R VALUE TEST SET COUNT : 2399 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.50 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.59 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 80.40 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3172 REMARK 3 BIN R VALUE (WORKING SET) : 0.5380 REMARK 3 BIN FREE R VALUE : 0.5330 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.20 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 362 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.028 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1530 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 37 REMARK 3 SOLVENT ATOMS : 190 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 18.00 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 32.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -6.86000 REMARK 3 B22 (A**2) : 13.51000 REMARK 3 B33 (A**2) : -6.65000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -2.38000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.27 REMARK 3 ESD FROM SIGMAA (A) : 0.57 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.30 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.53 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.014 REMARK 3 BOND ANGLES (DEGREES) : 2.00 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.20 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.14 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.720 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 3.540 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 4.700 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 5.970 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 85.94 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : SAM2.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : SAM2.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1V2X COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-OCT-03. REMARK 100 THE RCSB ID CODE IS RCSB006139. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 26-JUN-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SPRING-8 REMARK 200 BEAMLINE : BL41XU REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 60955 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.8 REMARK 200 DATA REDUNDANCY : 2.500 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.04700 REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 9.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : 81.5 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.25200 REMARK 200 <I/SIGMA(I)> FOR SHELL : 1.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: MAD REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MAD REMARK 200 SOFTWARE USED: SHARP REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 26.78 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.69 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: LITHIUM SULFATE, TRIS-HCL, PEG 4000, REMARK 280 PH 8.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 20K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-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 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 38.80050 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 22.01150 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 38.80050 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 22.01150 REMARK 290 SMTRY3 4 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA,PQS REMARK 350 TOTAL BURIED SURFACE AREA: 4290 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 16570 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -45.0 KCAL/MOL 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 BIOMT1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 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 LEU A 192 REMARK 465 ARG A 193 REMARK 465 LYS A 194 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OE2 GLU A 91 O HOH A 538 2.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 503 O HOH A 503 2656 1.59 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 GLY A 68 N - CA - C ANGL. DEV. = -21.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 7 -87.44 -102.70 REMARK 500 THR A 57 57.68 38.19 REMARK 500 ASN A 64 -62.65 -171.12 REMARK 500 GLU A 65 -109.72 -61.95 REMARK 500 THR A 66 -172.71 -61.58 REMARK 500 SER A 67 101.43 115.79 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 532 DISTANCE = 5.24 ANGSTROMS REMARK 525 HOH A 562 DISTANCE = 5.02 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 201 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PO4 A 202 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAM A 400 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: TTK003000912.1 RELATED DB: TARGETDB DBREF 1V2X A 1 194 UNP Q9FAC4 Q9FAC4_THETH 1 194 SEQRES 1 A 194 MET ARG GLU ARG THR GLU ALA ARG ARG ARG ARG ILE GLU SEQRES 2 A 194 GLU VAL LEU ARG ARG ARG GLN PRO ASP LEU THR VAL LEU SEQRES 3 A 194 LEU GLU ASN VAL HIS LYS PRO HIS ASN LEU SER ALA ILE SEQRES 4 A 194 LEU ARG THR CYS ASP ALA VAL GLY VAL LEU GLU ALA HIS SEQRES 5 A 194 ALA VAL ASN PRO THR GLY GLY VAL PRO THR PHE ASN GLU SEQRES 6 A 194 THR SER GLY GLY SER HIS LYS TRP VAL TYR LEU ARG VAL SEQRES 7 A 194 HIS PRO ASP LEU HIS GLU ALA PHE ARG PHE LEU LYS GLU SEQRES 8 A 194 ARG GLY PHE THR VAL TYR ALA THR ALA LEU ARG GLU ASP SEQRES 9 A 194 ALA ARG ASP PHE ARG GLU VAL ASP TYR THR LYS PRO THR SEQRES 10 A 194 ALA VAL LEU PHE GLY ALA GLU LYS TRP GLY VAL SER GLU SEQRES 11 A 194 GLU ALA LEU ALA LEU ALA ASP GLY ALA ILE LYS ILE PRO SEQRES 12 A 194 MET LEU GLY MET VAL GLN SER LEU ASN VAL SER VAL ALA SEQRES 13 A 194 ALA ALA VAL ILE LEU PHE GLU ALA GLN ARG GLN ARG LEU SEQRES 14 A 194 LYS ALA GLY LEU TYR ASP ARG PRO ARG LEU ASP PRO GLU SEQRES 15 A 194 LEU TYR GLN LYS VAL LEU ALA ASP TRP LEU ARG LYS HET PO4 A 201 5 HET PO4 A 202 5 HET SAM A 400 27 HETNAM PO4 PHOSPHATE ION HETNAM SAM S-ADENOSYLMETHIONINE FORMUL 2 PO4 2(O4 P 3-) FORMUL 4 SAM C15 H22 N6 O5 S FORMUL 5 HOH *190(H2 O) HELIX 1 1 ALA A 7 ARG A 17 1 11 HELIX 2 2 LYS A 32 VAL A 46 1 15 HELIX 3 3 PRO A 56 VAL A 60 5 5 HELIX 4 4 GLY A 69 TRP A 73 5 5 HELIX 5 5 ASP A 81 ARG A 92 1 12 HELIX 6 6 ARG A 109 VAL A 111 5 3 HELIX 7 7 SER A 129 ALA A 136 1 8 HELIX 8 8 ASN A 152 ALA A 171 1 20 HELIX 9 9 GLY A 172 ARG A 176 5 5 HELIX 10 10 ASP A 180 TRP A 191 1 12 SHEET 1 A 7 TYR A 75 HIS A 79 0 SHEET 2 A 7 GLU A 50 VAL A 54 1 N ALA A 51 O TYR A 75 SHEET 3 A 7 LEU A 23 GLU A 28 1 N LEU A 27 O HIS A 52 SHEET 4 A 7 THR A 117 PHE A 121 1 O PHE A 121 N LEU A 26 SHEET 5 A 7 THR A 95 THR A 99 1 N TYR A 97 O LEU A 120 SHEET 6 A 7 GLY A 138 LYS A 141 1 O GLY A 138 N ALA A 98 SHEET 7 A 7 ARG A 106 ASP A 107 1 N ARG A 106 O LYS A 141 SITE 1 AC1 10 LYS A 32 HIS A 34 ASN A 35 ARG A 41 SITE 2 AC1 10 GLU A 65 THR A 66 GLU A 124 ASN A 152 SITE 3 AC1 10 HOH A 419 HOH A 464 SITE 1 AC2 8 ARG A 9 GLU A 13 ASN A 29 HIS A 31 SITE 2 AC2 8 ASN A 55 GLY A 58 HOH A 408 HOH A 483 SITE 1 AC3 18 ARG A 41 THR A 99 PHE A 121 GLY A 122 SITE 2 AC3 18 ALA A 123 GLU A 124 LYS A 125 TRP A 126 SITE 3 AC3 18 GLY A 127 ILE A 142 MET A 144 LEU A 151 SITE 4 AC3 18 VAL A 153 ALA A 156 HOH A 442 HOH A 561 SITE 5 AC3 18 HOH A 568 HOH A 583 CRYST1 77.601 44.023 56.756 90.00 120.78 90.00 C 1 2 1 4 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 0.012886 0.000000 0.007675 0.00000 SCALE2 0.000000 0.022715 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020507 0.00000 ATOM 1 N MET A 1 38.675 -3.951 7.508 1.00 84.76 N ATOM 2 CA MET A 1 38.426 -3.041 8.667 1.00 85.22 C ATOM 3 C MET A 1 37.378 -1.974 8.369 1.00 84.29 C ATOM 4 O MET A 1 36.484 -1.733 9.182 1.00 84.63 O ATOM 5 CB MET A 1 39.723 -2.350 9.094 1.00 86.84 C ATOM 6 CG MET A 1 39.518 -1.300 10.178 1.00 88.84 C ATOM 7 SD MET A 1 40.968 -0.265 10.459 1.00 94.09 S ATOM 8 CE MET A 1 41.568 -0.924 12.032 1.00 92.99 C ATOM 9 N ARG A 2 37.492 -1.321 7.215 1.00 81.45 N ATOM 10 CA ARG A 2 36.528 -0.288 6.869 1.00 79.57 C ATOM 11 C ARG A 2 35.290 -0.943 6.258 1.00 79.10 C ATOM 12 O ARG A 2 34.217 -0.348 6.202 1.00 81.03 O ATOM 13 CB ARG A 2 37.138 0.733 5.895 1.00 77.44 C ATOM 14 CG ARG A 2 38.558 1.192 6.221 1.00 72.71 C ATOM 15 CD ARG A 2 38.840 1.289 7.723 1.00 71.34 C ATOM 16 NE ARG A 2 37.884 2.121 8.450 1.00 68.82 N ATOM 17 CZ ARG A 2 38.030 2.485 9.725 1.00 65.65 C ATOM 18 NH1 ARG A 2 39.092 2.096 10.420 1.00 62.32 N ATOM 19 NH2 ARG A 2 37.112 3.239 10.309 1.00 61.59 N ATOM 20 N GLU A 3 35.435 -2.179 5.804 1.00 77.28 N ATOM 21 CA GLU A 3 34.302 -2.891 5.233 1.00 76.88 C ATOM 22 C GLU A 3 33.391 -3.231 6.420 1.00 75.41 C ATOM 23 O GLU A 3 32.159 -3.210 6.333 1.00 73.32 O ATOM 24 CB GLU A 3 34.789 -4.170 4.542 1.00 79.80 C ATOM 25 CG GLU A 3 35.945 -3.973 3.532 1.00 81.63 C ATOM 26 CD GLU A 3 37.297 -3.665 4.187 1.00 82.08 C ATOM 27 OE1 GLU A 3 37.719 -4.421 5.092 1.00 80.21 O ATOM 28 OE2 GLU A 3 37.943 -2.672 3.783 1.00 80.66 O ATOM 29 N ARG A 4 34.040 -3.521 7.540 1.00 74.79 N ATOM 30 CA ARG A 4 33.389 -3.870 8.792 1.00 73.42 C ATOM 31 C ARG A 4 32.779 -2.641 9.468 1.00 73.71 C ATOM 32 O ARG A 4 31.713 -2.709 10.083 1.00 72.31 O ATOM 33 CB ARG A 4 34.432 -4.527 9.715 1.00 71.82 C ATOM 34 CG ARG A 4 34.146 -4.467 11.209 1.00 73.57 C ATOM 35 CD ARG A 4 32.851 -5.176 11.535 1.00 76.96 C ATOM 36 NE ARG A 4 32.782 -5.665 12.909 1.00 80.38 N ATOM 37 CZ ARG A 4 31.858 -6.519 13.343 1.00 81.40 C ATOM 38 NH1 ARG A 4 30.933 -6.975 12.506 1.00 80.52 N ATOM 39 NH2 ARG A 4 31.856 -6.918 14.609 1.00 82.09 N ATOM 40 N THR A 5 33.451 -1.507 9.331 1.00 73.92 N ATOM 41 CA THR A 5 32.989 -0.295 9.977 1.00 74.33 C ATOM 42 C THR A 5 32.423 0.728 8.978 1.00 75.05 C ATOM 43 O THR A 5 31.271 1.145 9.091 1.00 73.60 O ATOM 44 CB THR A 5 34.161 0.286 10.841 1.00 74.08 C ATOM 45 OG1 THR A 5 33.645 1.121 11.888 1.00 73.16 O ATOM 46 CG2 THR A 5 35.143 1.048 9.976 1.00 73.26 C ATOM 47 N GLU A 6 33.215 1.098 7.981 1.00 76.28 N ATOM 48 CA GLU A 6 32.783 2.079 6.991 1.00 76.89 C ATOM 49 C GLU A 6 31.492 1.671 6.302 1.00 74.43 C ATOM 50 O GLU A 6 30.738 2.523 5.850 1.00 75.87 O ATOM 51 CB GLU A 6 33.889 2.286 5.950 1.00 80.23 C ATOM 52 CG GLU A 6 33.729 3.507 5.065 1.00 84.19 C ATOM 53 CD GLU A 6 34.994 3.799 4.271 1.00 88.16 C ATOM 54 OE1 GLU A 6 36.091 3.763 4.881 1.00 88.44 O ATOM 55 OE2 GLU A 6 34.896 4.070 3.048 1.00 89.13 O ATOM 56 N ALA A 7 31.220 0.376 6.235 1.00 71.16 N ATOM 57 CA ALA A 7 30.011 -0.070 5.560 1.00 68.96 C ATOM 58 C ALA A 7 28.875 -0.471 6.492 1.00 66.16 C ATOM 59 O ALA A 7 28.010 0.339 6.818 1.00 66.67 O ATOM 60 CB ALA A 7 30.342 -1.222 4.615 1.00 70.14 C ATOM 61 N ARG A 8 28.883 -1.735 6.900 1.00 62.64 N ATOM 62 CA ARG A 8 27.861 -2.280 7.770 1.00 57.57 C ATOM 63 C ARG A 8 27.549 -1.313 8.906 1.00 54.41 C ATOM 64 O ARG A 8 26.414 -0.871 9.063 1.00 51.34 O ATOM 65 CB ARG A 8 28.333 -3.620 8.335 1.00 59.14 C ATOM 66 CG ARG A 8 27.227 -4.446 8.950 1.00 64.14 C ATOM 67 CD ARG A 8 27.776 -5.602 9.780 1.00 69.31 C ATOM 68 NE ARG A 8 26.713 -6.257 10.544 1.00 75.84 N ATOM 69 CZ ARG A 8 26.863 -6.744 11.775 1.00 78.24 C ATOM 70 NH1 ARG A 8 28.038 -6.654 12.390 1.00 77.74 N ATOM 71 NH2 ARG A 8 25.834 -7.307 12.399 1.00 78.35 N ATOM 72 N ARG A 9 28.579 -0.983 9.679 1.00 49.26 N ATOM 73 CA ARG A 9 28.468 -0.088 10.819 1.00 45.92 C ATOM 74 C ARG A 9 27.772 1.243 10.503 1.00 44.95 C ATOM 75 O ARG A 9 26.800 1.604 11.161 1.00 43.13 O ATOM 76 CB ARG A 9 29.867 0.164 11.396 1.00 50.29 C ATOM 77 CG ARG A 9 29.917 1.146 12.561 1.00 52.28 C ATOM 78 CD ARG A 9 28.731 0.932 13.476 1.00 53.65 C ATOM 79 NE ARG A 9 28.633 1.953 14.515 1.00 55.52 N ATOM 80 CZ ARG A 9 29.197 1.856 15.715 1.00 49.64 C ATOM 81 NH1 ARG A 9 29.909 0.781 16.039 1.00 51.27 N ATOM 82 NH2 ARG A 9 29.019 2.825 16.599 1.00 44.10 N ATOM 83 N ARG A 10 28.271 1.952 9.496 1.00 43.09 N ATOM 84 CA ARG A 10 27.734 3.254 9.081 1.00 45.92 C ATOM 85 C ARG A 10 26.319 3.198 8.498 1.00 44.70 C ATOM 86 O ARG A 10 25.482 4.033 8.849 1.00 43.48 O ATOM 87 CB ARG A 10 28.705 3.917 8.077 1.00 50.32 C ATOM 88 CG ARG A 10 28.084 4.590 6.824 1.00 59.45 C ATOM 89 CD ARG A 10 29.200 4.832 5.773 1.00 64.04 C ATOM 90 NE ARG A 10 28.777 5.385 4.479 1.00 66.70 N ATOM 91 CZ ARG A 10 29.476 5.239 3.345 1.00 68.68 C ATOM 92 NH1 ARG A 10 30.616 4.554 3.349 1.00 66.26 N ATOM 93 NH2 ARG A 10 29.056 5.789 2.208 1.00 64.08 N ATOM 94 N ARG A 11 26.035 2.238 7.618 1.00 38.64 N ATOM 95 CA ARG A 11 24.691 2.165 7.049 1.00 41.27 C ATOM 96 C ARG A 11 23.637 1.798 8.102 1.00 38.54 C ATOM 97 O ARG A 11 22.528 2.320 8.081 1.00 38.07 O ATOM 98 CB ARG A 11 24.613 1.156 5.891 1.00 44.36 C ATOM 99 CG ARG A 11 24.113 -0.215 6.299 1.00 46.81 C ATOM 100 CD ARG A 11 23.512 -0.969 5.130 1.00 51.67 C ATOM 101 NE ARG A 11 22.149 -0.534 4.854 1.00 54.89 N ATOM 102 CZ ARG A 11 21.371 -1.077 3.923 1.00 54.23 C ATOM 103 NH1 ARG A 11 21.831 -2.074 3.177 1.00 54.26 N ATOM 104 NH2 ARG A 11 20.128 -0.638 3.751 1.00 50.76 N ATOM 105 N ILE A 12 23.976 0.903 9.024 1.00 35.78 N ATOM 106 CA ILE A 12 23.032 0.510 10.058 1.00 33.08 C ATOM 107 C ILE A 12 22.679 1.682 10.993 1.00 32.47 C ATOM 108 O ILE A 12 21.529 1.838 11.430 1.00 28.01 O ATOM 109 CB ILE A 12 23.605 -0.649 10.917 1.00 34.55 C ATOM 110 CG1 ILE A 12 23.574 -1.965 10.133 1.00 40.53 C ATOM 111 CG2 ILE A 12 22.842 -0.737 12.222 1.00 37.99 C ATOM 112 CD1 ILE A 12 24.319 -3.122 10.815 1.00 38.68 C ATOM 113 N GLU A 13 23.670 2.500 11.320 1.00 23.17 N ATOM 114 CA GLU A 13 23.403 3.600 12.227 1.00 24.61 C ATOM 115 C GLU A 13 22.610 4.623 11.467 1.00 19.11 C ATOM 116 O GLU A 13 21.725 5.254 12.030 1.00 22.14 O ATOM 117 CB GLU A 13 24.695 4.249 12.709 1.00 25.31 C ATOM 118 CG GLU A 13 25.423 3.509 13.766 1.00 31.74 C ATOM 119 CD GLU A 13 26.328 4.443 14.556 1.00 32.12 C ATOM 120 OE1 GLU A 13 25.807 5.301 15.316 1.00 39.28 O ATOM 121 OE2 GLU A 13 27.548 4.315 14.395 1.00 36.46 O ATOM 122 N GLU A 14 22.932 4.798 10.196 1.00 22.01 N ATOM 123 CA GLU A 14 22.204 5.770 9.386 1.00 28.73 C ATOM 124 C GLU A 14 20.714 5.476 9.458 1.00 30.75 C ATOM 125 O GLU A 14 19.897 6.380 9.635 1.00 28.44 O ATOM 126 CB GLU A 14 22.665 5.756 7.931 1.00 32.02 C ATOM 127 CG GLU A 14 22.762 7.158 7.357 1.00 45.05 C ATOM 128 CD GLU A 14 22.215 7.276 5.948 1.00 52.72 C ATOM 129 OE1 GLU A 14 22.571 8.255 5.249 1.00 56.73 O ATOM 130 OE2 GLU A 14 21.425 6.400 5.539 1.00 55.24 O ATOM 131 N VAL A 15 20.363 4.207 9.321 1.00 25.66 N ATOM 132 CA VAL A 15 18.980 3.784 9.394 1.00 29.14 C ATOM 133 C VAL A 15 18.404 3.867 10.809 1.00 24.53 C ATOM 134 O VAL A 15 17.239 4.239 11.008 1.00 22.52 O ATOM 135 CB VAL A 15 18.859 2.339 8.881 1.00 34.08 C ATOM 136 CG1 VAL A 15 17.462 1.806 9.101 1.00 34.56 C ATOM 137 CG2 VAL A 15 19.253 2.303 7.438 1.00 35.69 C ATOM 138 N LEU A 16 19.227 3.540 11.811 1.00 17.74 N ATOM 139 CA LEU A 16 18.770 3.594 13.181 1.00 18.79 C ATOM 140 C LEU A 16 18.405 5.034 13.531 1.00 18.81 C ATOM 141 O LEU A 16 17.514 5.291 14.348 1.00 22.04 O ATOM 142 CB LEU A 16 19.890 3.139 14.110 1.00 23.63 C ATOM 143 CG LEU A 16 19.564 2.229 15.269 1.00 31.06 C ATOM 144 CD1 LEU A 16 20.711 2.281 16.290 1.00 29.86 C ATOM 145 CD2 LEU A 16 18.255 2.621 15.871 1.00 33.39 C ATOM 146 N ARG A 17 19.107 5.960 12.898 1.00 20.63 N ATOM 147 CA ARG A 17 18.888 7.390 13.140 1.00 21.39 C ATOM 148 C ARG A 17 17.569 7.908 12.581 1.00 26.11 C ATOM 149 O ARG A 17 17.144 9.023 12.900 1.00 19.17 O ATOM 150 CB ARG A 17 20.071 8.201 12.586 1.00 20.97 C ATOM 151 CG ARG A 17 21.355 8.101 13.417 1.00 22.48 C ATOM 152 CD ARG A 17 22.488 8.785 12.694 1.00 24.33 C ATOM 153 NE ARG A 17 22.454 10.242 12.877 1.00 33.19 N ATOM 154 CZ ARG A 17 22.870 10.864 13.983 1.00 33.42 C ATOM 155 NH1 ARG A 17 23.352 10.169 15.002 1.00 33.56 N ATOM 156 NH2 ARG A 17 22.781 12.186 14.080 1.00 39.29 N ATOM 157 N ARG A 18 16.911 7.111 11.743 1.00 22.34 N ATOM 158 CA ARG A 18 15.621 7.501 11.200 1.00 19.84 C ATOM 159 C ARG A 18 14.490 6.717 11.901 1.00 17.86 C ATOM 160 O ARG A 18 13.340 6.888 11.562 1.00 20.45 O ATOM 161 CB ARG A 18 15.542 7.245 9.669 1.00 20.57 C ATOM 162 CG ARG A 18 16.309 8.236 8.838 1.00 25.28 C ATOM 163 CD ARG A 18 16.476 7.775 7.409 1.00 33.31 C ATOM 164 NE ARG A 18 17.691 8.380 6.865 1.00 38.10 N ATOM 165 CZ ARG A 18 18.489 7.777 5.997 1.00 36.79 C ATOM 166 NH1 ARG A 18 18.199 6.550 5.573 1.00 40.73 N ATOM 167 NH2 ARG A 18 19.574 8.395 5.558 1.00 48.32 N ATOM 168 N ARG A 19 14.802 5.864 12.869 1.00 21.21 N ATOM 169 CA ARG A 19 13.740 5.108 13.532 1.00 17.90 C ATOM 170 C ARG A 19 12.824 5.997 14.368 1.00 20.34 C ATOM 171 O ARG A 19 13.307 6.876 15.082 1.00 23.48 O ATOM 172 CB ARG A 19 14.326 4.002 14.399 1.00 17.30 C ATOM 173 CG ARG A 19 14.784 2.778 13.575 1.00 20.84 C ATOM 174 CD ARG A 19 13.594 2.190 12.867 1.00 21.17 C ATOM 175 NE ARG A 19 13.661 0.746 12.524 1.00 16.48 N ATOM 176 CZ ARG A 19 13.661 0.295 11.267 1.00 24.05 C ATOM 177 NH1 ARG A 19 13.668 1.126 10.227 1.00 14.90 N ATOM 178 NH2 ARG A 19 13.478 -0.991 11.020 1.00 13.79 N ATOM 179 N GLN A 20 11.511 5.768 14.272 1.00 17.75 N ATOM 180 CA GLN A 20 10.502 6.576 14.965 1.00 16.99 C ATOM 181 C GLN A 20 9.953 5.750 16.133 1.00 19.66 C ATOM 182 O GLN A 20 9.263 4.743 15.913 1.00 22.08 O ATOM 183 CB GLN A 20 9.349 6.917 14.000 1.00 19.26 C ATOM 184 CG GLN A 20 9.804 7.542 12.679 1.00 21.25 C ATOM 185 CD GLN A 20 10.314 8.920 12.891 1.00 22.26 C ATOM 186 OE1 GLN A 20 9.585 9.796 13.349 1.00 24.72 O ATOM 187 NE2 GLN A 20 11.578 9.120 12.602 1.00 20.63 N ATOM 188 N PRO A 21 10.260 6.133 17.377 1.00 18.57 N ATOM 189 CA PRO A 21 9.747 5.348 18.501 1.00 21.55 C ATOM 190 C PRO A 21 8.263 5.630 18.767 1.00 23.71 C ATOM 191 O PRO A 21 7.604 4.871 19.479 1.00 21.74 O ATOM 192 CB PRO A 21 10.638 5.793 19.653 1.00 23.71 C ATOM 193 CG PRO A 21 10.708 7.328 19.353 1.00 19.94 C ATOM 194 CD PRO A 21 11.004 7.323 17.866 1.00 21.94 C ATOM 195 N ASP A 22 7.726 6.687 18.146 1.00 17.61 N ATOM 196 CA ASP A 22 6.361 7.056 18.381 1.00 21.15 C ATOM 197 C ASP A 22 5.442 6.930 17.166 1.00 18.86 C ATOM 198 O ASP A 22 4.536 7.740 16.999 1.00 18.45 O ATOM 199 CB ASP A 22 6.314 8.487 18.930 1.00 21.42 C ATOM 200 CG ASP A 22 7.064 9.450 18.063 1.00 29.96 C ATOM 201 OD1 ASP A 22 7.758 9.000 17.113 1.00 23.69 O ATOM 202 OD2 ASP A 22 6.966 10.678 18.327 1.00 28.45 O ATOM 203 N LEU A 23 5.696 5.940 16.301 1.00 18.21 N ATOM 204 CA LEU A 23 4.830 5.670 15.148 1.00 16.35 C ATOM 205 C LEU A 23 4.787 4.143 15.128 1.00 15.55 C ATOM 206 O LEU A 23 5.823 3.510 15.097 1.00 17.64 O ATOM 207 CB LEU A 23 5.453 6.138 13.861 1.00 14.56 C ATOM 208 CG LEU A 23 4.612 5.790 12.622 1.00 15.53 C ATOM 209 CD1 LEU A 23 3.253 6.413 12.692 1.00 17.26 C ATOM 210 CD2 LEU A 23 5.374 6.224 11.380 1.00 16.66 C ATOM 211 N THR A 24 3.604 3.585 15.184 1.00 15.79 N ATOM 212 CA THR A 24 3.519 2.116 15.193 1.00 17.26 C ATOM 213 C THR A 24 2.165 1.631 14.681 1.00 16.58 C ATOM 214 O THR A 24 1.280 2.405 14.347 1.00 16.64 O ATOM 215 CB THR A 24 3.759 1.582 16.654 1.00 17.19 C ATOM 216 OG1 THR A 24 3.890 0.142 16.628 1.00 18.69 O ATOM 217 CG2 THR A 24 2.630 1.931 17.561 1.00 15.18 C ATOM 218 N VAL A 25 2.002 0.305 14.623 1.00 15.18 N ATOM 219 CA VAL A 25 0.768 -0.299 14.220 1.00 13.88 C ATOM 220 C VAL A 25 0.394 -1.364 15.258 1.00 16.91 C ATOM 221 O VAL A 25 1.278 -1.917 15.963 1.00 17.96 O ATOM 222 CB VAL A 25 0.854 -1.009 12.825 1.00 18.34 C ATOM 223 CG1 VAL A 25 1.203 0.022 11.749 1.00 19.74 C ATOM 224 CG2 VAL A 25 1.845 -2.182 12.852 1.00 20.69 C ATOM 225 N LEU A 26 -0.907 -1.576 15.400 1.00 15.18 N ATOM 226 CA LEU A 26 -1.416 -2.657 16.261 1.00 17.20 C ATOM 227 C LEU A 26 -2.195 -3.593 15.325 1.00 15.85 C ATOM 228 O LEU A 26 -3.209 -3.216 14.727 1.00 16.07 O ATOM 229 CB LEU A 26 -2.312 -2.126 17.383 1.00 17.29 C ATOM 230 CG LEU A 26 -2.971 -3.230 18.266 1.00 17.59 C ATOM 231 CD1 LEU A 26 -1.936 -4.262 18.749 1.00 20.56 C ATOM 232 CD2 LEU A 26 -3.630 -2.566 19.447 1.00 22.53 C ATOM 233 N LEU A 27 -1.725 -4.837 15.204 1.00 17.95 N ATOM 234 CA LEU A 27 -2.374 -5.802 14.318 1.00 18.92 C ATOM 235 C LEU A 27 -3.268 -6.737 15.143 1.00 19.52 C ATOM 236 O LEU A 27 -2.769 -7.435 15.985 1.00 18.69 O ATOM 237 CB LEU A 27 -1.301 -6.617 13.582 1.00 17.80 C ATOM 238 CG LEU A 27 -0.233 -5.754 12.903 1.00 16.09 C ATOM 239 CD1 LEU A 27 0.737 -6.691 12.110 1.00 18.59 C ATOM 240 CD2 LEU A 27 -0.904 -4.759 11.930 1.00 18.98 C ATOM 241 N GLU A 28 -4.575 -6.709 14.900 1.00 23.31 N ATOM 242 CA GLU A 28 -5.508 -7.540 15.656 1.00 21.90 C ATOM 243 C GLU A 28 -5.914 -8.746 14.830 1.00 20.88 C ATOM 244 O GLU A 28 -6.601 -8.618 13.835 1.00 20.40 O ATOM 245 CB GLU A 28 -6.769 -6.749 16.014 1.00 22.57 C ATOM 246 CG GLU A 28 -7.782 -7.600 16.824 1.00 19.92 C ATOM 247 CD GLU A 28 -9.123 -6.947 17.047 1.00 21.97 C ATOM 248 OE1 GLU A 28 -9.669 -6.364 16.086 1.00 22.46 O ATOM 249 OE2 GLU A 28 -9.660 -7.046 18.183 1.00 25.61 O ATOM 250 N ASN A 29 -5.500 -9.925 15.256 1.00 17.58 N ATOM 251 CA ASN A 29 -5.883 -11.104 14.524 1.00 21.78 C ATOM 252 C ASN A 29 -5.541 -11.139 13.044 1.00 20.12 C ATOM 253 O ASN A 29 -6.392 -11.571 12.228 1.00 24.04 O ATOM 254 CB ASN A 29 -7.383 -11.284 14.624 1.00 27.20 C ATOM 255 CG ASN A 29 -7.743 -12.348 15.559 1.00 41.52 C ATOM 256 OD1 ASN A 29 -7.834 -12.123 16.772 1.00 43.19 O ATOM 257 ND2 ASN A 29 -7.928 -13.554 15.023 1.00 39.52 N ATOM 258 N VAL A 30 -4.353 -10.684 12.666 1.00 18.92 N ATOM 259 CA VAL A 30 -4.002 -10.754 11.270 1.00 20.20 C ATOM 260 C VAL A 30 -3.473 -12.151 11.144 1.00 18.71 C ATOM 261 O VAL A 30 -2.447 -12.479 11.726 1.00 25.06 O ATOM 262 CB VAL A 30 -2.962 -9.701 10.914 1.00 22.69 C ATOM 263 CG1 VAL A 30 -2.427 -9.947 9.524 1.00 22.80 C ATOM 264 CG2 VAL A 30 -3.629 -8.343 11.000 1.00 19.31 C ATOM 265 N HIS A 31 -4.205 -12.941 10.352 1.00 22.21 N ATOM 266 CA HIS A 31 -3.960 -14.377 10.162 1.00 26.30 C ATOM 267 C HIS A 31 -2.927 -14.879 9.162 1.00 28.33 C ATOM 268 O HIS A 31 -2.286 -15.892 9.412 1.00 23.96 O ATOM 269 CB HIS A 31 -5.299 -15.040 9.787 1.00 31.35 C ATOM 270 CG HIS A 31 -5.537 -16.344 10.470 1.00 48.31 C ATOM 271 ND1 HIS A 31 -4.670 -17.410 10.364 1.00 52.48 N ATOM 272 CD2 HIS A 31 -6.526 -16.744 11.307 1.00 55.45 C ATOM 273 CE1 HIS A 31 -5.110 -18.407 11.111 1.00 55.65 C ATOM 274 NE2 HIS A 31 -6.234 -18.031 11.694 1.00 53.48 N ATOM 275 N LYS A 32 -2.778 -14.195 8.023 1.00 24.89 N ATOM 276 CA LYS A 32 -1.879 -14.673 6.985 1.00 21.25 C ATOM 277 C LYS A 32 -0.436 -14.264 7.110 1.00 23.89 C ATOM 278 O LYS A 32 -0.132 -13.069 7.200 1.00 23.79 O ATOM 279 CB LYS A 32 -2.400 -14.258 5.603 1.00 17.05 C ATOM 280 CG LYS A 32 -3.886 -14.579 5.406 1.00 26.75 C ATOM 281 CD LYS A 32 -4.314 -14.498 3.954 1.00 28.33 C ATOM 282 CE LYS A 32 -5.821 -14.818 3.780 1.00 28.13 C ATOM 283 NZ LYS A 32 -6.232 -14.800 2.353 1.00 30.41 N ATOM 284 N PRO A 33 0.482 -15.233 7.132 1.00 22.08 N ATOM 285 CA PRO A 33 1.906 -14.886 7.238 1.00 22.63 C ATOM 286 C PRO A 33 2.320 -13.877 6.155 1.00 22.63 C ATOM 287 O PRO A 33 3.143 -12.981 6.420 1.00 20.56 O ATOM 288 CB PRO A 33 2.606 -16.243 7.071 1.00 25.24 C ATOM 289 CG PRO A 33 1.627 -17.181 7.688 1.00 28.57 C ATOM 290 CD PRO A 33 0.298 -16.702 7.162 1.00 25.85 C ATOM 291 N HIS A 34 1.765 -13.989 4.940 1.00 19.37 N ATOM 292 CA HIS A 34 2.185 -13.018 3.928 1.00 17.18 C ATOM 293 C HIS A 34 1.769 -11.586 4.285 1.00 17.92 C ATOM 294 O HIS A 34 2.448 -10.671 3.894 1.00 21.72 O ATOM 295 CB HIS A 34 1.756 -13.393 2.486 1.00 24.79 C ATOM 296 CG HIS A 34 0.315 -13.191 2.166 1.00 32.43 C ATOM 297 ND1 HIS A 34 -0.528 -14.244 1.879 1.00 36.88 N ATOM 298 CD2 HIS A 34 -0.407 -12.065 1.961 1.00 27.63 C ATOM 299 CE1 HIS A 34 -1.708 -13.775 1.509 1.00 28.16 C ATOM 300 NE2 HIS A 34 -1.661 -12.455 1.553 1.00 33.98 N ATOM 301 N ASN A 35 0.670 -11.410 5.004 1.00 20.69 N ATOM 302 CA ASN A 35 0.251 -10.050 5.397 1.00 22.20 C ATOM 303 C ASN A 35 1.122 -9.564 6.541 1.00 21.00 C ATOM 304 O ASN A 35 1.555 -8.400 6.564 1.00 23.54 O ATOM 305 CB ASN A 35 -1.211 -10.063 5.807 1.00 21.24 C ATOM 306 CG ASN A 35 -2.146 -10.181 4.615 1.00 19.10 C ATOM 307 OD1 ASN A 35 -3.216 -10.810 4.708 1.00 23.67 O ATOM 308 ND2 ASN A 35 -1.768 -9.560 3.503 1.00 18.46 N ATOM 309 N LEU A 36 1.382 -10.437 7.495 1.00 22.13 N ATOM 310 CA LEU A 36 2.233 -10.034 8.624 1.00 21.67 C ATOM 311 C LEU A 36 3.620 -9.649 8.118 1.00 21.15 C ATOM 312 O LEU A 36 4.177 -8.629 8.513 1.00 21.54 O ATOM 313 CB LEU A 36 2.362 -11.170 9.645 1.00 19.68 C ATOM 314 CG LEU A 36 3.345 -10.897 10.802 1.00 24.96 C ATOM 315 CD1 LEU A 36 2.853 -9.631 11.612 1.00 20.95 C ATOM 316 CD2 LEU A 36 3.438 -12.089 11.754 1.00 21.18 C ATOM 317 N SER A 37 4.193 -10.478 7.243 1.00 19.33 N ATOM 318 CA SER A 37 5.510 -10.207 6.722 1.00 22.29 C ATOM 319 C SER A 37 5.513 -8.928 5.914 1.00 20.52 C ATOM 320 O SER A 37 6.411 -8.105 6.113 1.00 20.77 O ATOM 321 CB SER A 37 6.046 -11.357 5.855 1.00 25.49 C ATOM 322 OG SER A 37 6.233 -12.544 6.627 1.00 27.87 O ATOM 323 N ALA A 38 4.528 -8.747 5.019 1.00 17.82 N ATOM 324 CA ALA A 38 4.511 -7.508 4.206 1.00 18.39 C ATOM 325 C ALA A 38 4.313 -6.253 5.051 1.00 15.30 C ATOM 326 O ALA A 38 4.877 -5.198 4.717 1.00 18.91 O ATOM 327 CB ALA A 38 3.402 -7.567 3.105 1.00 19.68 C ATOM 328 N ILE A 39 3.521 -6.355 6.111 1.00 15.83 N ATOM 329 CA ILE A 39 3.273 -5.175 6.967 1.00 16.33 C ATOM 330 C ILE A 39 4.555 -4.807 7.748 1.00 17.25 C ATOM 331 O ILE A 39 4.926 -3.624 7.894 1.00 15.29 O ATOM 332 CB ILE A 39 2.109 -5.422 7.915 1.00 15.40 C ATOM 333 CG1 ILE A 39 0.820 -5.533 7.117 1.00 13.19 C ATOM 334 CG2 ILE A 39 2.056 -4.302 8.993 1.00 14.67 C ATOM 335 CD1 ILE A 39 -0.311 -6.107 7.958 1.00 16.87 C ATOM 336 N LEU A 40 5.262 -5.798 8.255 1.00 17.18 N ATOM 337 CA LEU A 40 6.522 -5.473 8.936 1.00 18.75 C ATOM 338 C LEU A 40 7.547 -4.855 7.952 1.00 17.45 C ATOM 339 O LEU A 40 8.310 -3.977 8.339 1.00 18.16 O ATOM 340 CB LEU A 40 7.122 -6.724 9.580 1.00 23.34 C ATOM 341 CG LEU A 40 6.406 -7.215 10.819 1.00 28.78 C ATOM 342 CD1 LEU A 40 7.197 -8.389 11.382 1.00 25.61 C ATOM 343 CD2 LEU A 40 6.322 -6.079 11.872 1.00 18.74 C ATOM 344 N ARG A 41 7.578 -5.315 6.685 1.00 16.32 N ATOM 345 CA ARG A 41 8.488 -4.778 5.679 1.00 14.10 C ATOM 346 C ARG A 41 8.114 -3.271 5.452 1.00 11.50 C ATOM 347 O ARG A 41 8.980 -2.406 5.373 1.00 16.80 O ATOM 348 CB ARG A 41 8.344 -5.598 4.405 1.00 18.88 C ATOM 349 CG ARG A 41 9.301 -5.350 3.298 1.00 20.28 C ATOM 350 CD ARG A 41 9.163 -6.577 2.331 1.00 26.33 C ATOM 351 NE ARG A 41 9.756 -6.380 1.009 1.00 35.06 N ATOM 352 CZ ARG A 41 9.575 -7.220 -0.021 1.00 40.17 C ATOM 353 NH1 ARG A 41 8.822 -8.312 0.124 1.00 33.97 N ATOM 354 NH2 ARG A 41 10.109 -6.957 -1.213 1.00 27.47 N ATOM 355 N THR A 42 6.813 -3.013 5.392 1.00 13.77 N ATOM 356 CA THR A 42 6.315 -1.633 5.250 1.00 14.57 C ATOM 357 C THR A 42 6.720 -0.836 6.503 1.00 18.52 C ATOM 358 O THR A 42 7.156 0.346 6.416 1.00 14.63 O ATOM 359 CB THR A 42 4.777 -1.639 5.083 1.00 18.33 C ATOM 360 OG1 THR A 42 4.443 -2.258 3.824 1.00 18.25 O ATOM 361 CG2 THR A 42 4.218 -0.193 5.092 1.00 16.59 C ATOM 362 N CYS A 43 6.566 -1.431 7.682 1.00 15.78 N ATOM 363 CA CYS A 43 6.978 -0.731 8.928 1.00 15.09 C ATOM 364 C CYS A 43 8.454 -0.342 8.823 1.00 16.04 C ATOM 365 O CYS A 43 8.855 0.790 9.127 1.00 16.63 O ATOM 366 CB CYS A 43 6.759 -1.646 10.149 1.00 18.83 C ATOM 367 SG CYS A 43 5.068 -1.809 10.656 1.00 18.30 S ATOM 368 N ASP A 44 9.301 -1.274 8.403 1.00 16.65 N ATOM 369 CA ASP A 44 10.733 -0.953 8.266 1.00 16.39 C ATOM 370 C ASP A 44 10.963 0.245 7.316 1.00 19.40 C ATOM 371 O ASP A 44 11.728 1.181 7.610 1.00 18.69 O ATOM 372 CB ASP A 44 11.506 -2.124 7.682 1.00 17.75 C ATOM 373 CG ASP A 44 12.961 -1.760 7.390 1.00 18.02 C ATOM 374 OD1 ASP A 44 13.762 -1.616 8.353 1.00 17.17 O ATOM 375 OD2 ASP A 44 13.308 -1.606 6.197 1.00 21.93 O ATOM 376 N ALA A 45 10.286 0.212 6.185 1.00 16.64 N ATOM 377 CA ALA A 45 10.431 1.267 5.172 1.00 14.64 C ATOM 378 C ALA A 45 10.068 2.672 5.657 1.00 18.62 C ATOM 379 O ALA A 45 10.594 3.651 5.124 1.00 17.91 O ATOM 380 CB ALA A 45 9.592 0.902 3.910 1.00 18.33 C ATOM 381 N VAL A 46 9.151 2.776 6.618 1.00 17.24 N ATOM 382 CA VAL A 46 8.749 4.111 7.120 1.00 15.21 C ATOM 383 C VAL A 46 9.395 4.435 8.460 1.00 19.75 C ATOM 384 O VAL A 46 9.084 5.455 9.082 1.00 17.62 O ATOM 385 CB VAL A 46 7.209 4.262 7.221 1.00 15.33 C ATOM 386 CG1 VAL A 46 6.599 4.010 5.874 1.00 17.50 C ATOM 387 CG2 VAL A 46 6.583 3.353 8.293 1.00 16.43 C ATOM 388 N GLY A 47 10.264 3.537 8.924 1.00 16.00 N ATOM 389 CA GLY A 47 11.001 3.783 10.157 1.00 18.11 C ATOM 390 C GLY A 47 10.339 3.375 11.460 1.00 19.82 C ATOM 391 O GLY A 47 10.750 3.813 12.519 1.00 19.22 O ATOM 392 N VAL A 48 9.321 2.534 11.401 1.00 15.41 N ATOM 393 CA VAL A 48 8.687 2.069 12.617 1.00 16.78 C ATOM 394 C VAL A 48 9.729 1.203 13.381 1.00 20.60 C ATOM 395 O VAL A 48 10.301 0.292 12.817 1.00 21.46 O ATOM 396 CB VAL A 48 7.482 1.193 12.295 1.00 22.14 C ATOM 397 CG1 VAL A 48 7.015 0.445 13.574 1.00 14.94 C ATOM 398 CG2 VAL A 48 6.349 2.061 11.738 1.00 18.38 C ATOM 399 N LEU A 49 9.929 1.492 14.662 1.00 20.09 N ATOM 400 CA LEU A 49 10.879 0.768 15.508 1.00 18.58 C ATOM 401 C LEU A 49 10.311 -0.578 15.956 1.00 18.06 C ATOM 402 O LEU A 49 10.948 -1.638 15.797 1.00 20.38 O ATOM 403 CB LEU A 49 11.212 1.601 16.768 1.00 18.75 C ATOM 404 CG LEU A 49 12.222 0.909 17.717 1.00 20.46 C ATOM 405 CD1 LEU A 49 13.590 0.816 17.056 1.00 20.95 C ATOM 406 CD2 LEU A 49 12.306 1.713 19.021 1.00 27.53 C ATOM 407 N GLU A 50 9.114 -0.533 16.512 1.00 15.78 N ATOM 408 CA GLU A 50 8.493 -1.766 17.023 1.00 16.51 C ATOM 409 C GLU A 50 7.014 -1.759 16.670 1.00 19.20 C ATOM 410 O GLU A 50 6.356 -0.748 16.821 1.00 17.15 O ATOM 411 CB GLU A 50 8.636 -1.808 18.552 1.00 14.89 C ATOM 412 CG GLU A 50 7.844 -2.935 19.251 1.00 15.02 C ATOM 413 CD GLU A 50 8.097 -2.979 20.772 1.00 29.32 C ATOM 414 OE1 GLU A 50 8.758 -3.928 21.235 1.00 29.11 O ATOM 415 OE2 GLU A 50 7.633 -2.074 21.500 1.00 24.17 O ATOM 416 N ALA A 51 6.497 -2.908 16.238 1.00 17.94 N ATOM 417 CA ALA A 51 5.084 -3.068 15.893 1.00 18.32 C ATOM 418 C ALA A 51 4.451 -3.930 17.006 1.00 17.06 C ATOM 419 O ALA A 51 5.196 -4.578 17.764 1.00 20.30 O ATOM 420 CB ALA A 51 4.959 -3.778 14.521 1.00 18.70 C ATOM 421 N HIS A 52 3.123 -3.945 17.082 1.00 15.81 N ATOM 422 CA HIS A 52 2.387 -4.683 18.097 1.00 17.71 C ATOM 423 C HIS A 52 1.343 -5.592 17.504 1.00 18.03 C ATOM 424 O HIS A 52 0.795 -5.313 16.437 1.00 15.82 O ATOM 425 CB HIS A 52 1.721 -3.714 19.064 1.00 17.12 C ATOM 426 CG HIS A 52 2.708 -2.847 19.778 1.00 21.38 C ATOM 427 ND1 HIS A 52 3.301 -1.750 19.188 1.00 25.40 N ATOM 428 CD2 HIS A 52 3.294 -2.980 20.993 1.00 21.35 C ATOM 429 CE1 HIS A 52 4.221 -1.259 20.001 1.00 15.78 C ATOM 430 NE2 HIS A 52 4.234 -1.981 21.103 1.00 25.33 N ATOM 431 N ALA A 53 1.051 -6.687 18.209 1.00 19.32 N ATOM 432 CA ALA A 53 0.034 -7.593 17.716 1.00 21.89 C ATOM 433 C ALA A 53 -0.662 -8.376 18.818 1.00 22.62 C ATOM 434 O ALA A 53 -0.116 -8.577 19.905 1.00 19.87 O ATOM 435 CB ALA A 53 0.646 -8.594 16.688 1.00 20.41 C ATOM 436 N VAL A 54 -1.886 -8.782 18.517 1.00 20.79 N ATOM 437 CA VAL A 54 -2.641 -9.657 19.398 1.00 23.58 C ATOM 438 C VAL A 54 -3.018 -10.817 18.473 1.00 18.09 C ATOM 439 O VAL A 54 -3.559 -10.604 17.386 1.00 19.33 O ATOM 440 CB VAL A 54 -3.936 -9.035 19.936 1.00 26.08 C ATOM 441 CG1 VAL A 54 -4.752 -10.116 20.643 1.00 25.11 C ATOM 442 CG2 VAL A 54 -3.597 -7.947 20.957 1.00 26.49 C ATOM 443 N ASN A 55 -2.650 -12.024 18.869 1.00 23.38 N ATOM 444 CA ASN A 55 -2.982 -13.203 18.092 1.00 21.26 C ATOM 445 C ASN A 55 -2.497 -13.183 16.643 1.00 23.98 C ATOM 446 O ASN A 55 -3.261 -13.443 15.712 1.00 26.94 O ATOM 447 CB ASN A 55 -4.483 -13.408 18.121 1.00 23.36 C ATOM 448 CG ASN A 55 -4.898 -14.810 17.669 1.00 34.74 C ATOM 449 OD1 ASN A 55 -6.009 -15.003 17.172 1.00 38.37 O ATOM 450 ND2 ASN A 55 -4.020 -15.785 17.864 1.00 27.37 N ATOM 451 N PRO A 56 -1.212 -12.876 16.427 1.00 21.15 N ATOM 452 CA PRO A 56 -0.745 -12.869 15.034 1.00 21.60 C ATOM 453 C PRO A 56 -0.596 -14.265 14.435 1.00 22.27 C ATOM 454 O PRO A 56 -0.131 -15.183 15.097 1.00 24.93 O ATOM 455 CB PRO A 56 0.606 -12.178 15.123 1.00 22.89 C ATOM 456 CG PRO A 56 1.102 -12.637 16.493 1.00 18.08 C ATOM 457 CD PRO A 56 -0.145 -12.504 17.366 1.00 17.34 C ATOM 458 N THR A 57 -1.030 -14.400 13.192 1.00 24.25 N ATOM 459 CA THR A 57 -0.846 -15.638 12.444 1.00 24.55 C ATOM 460 C THR A 57 -1.016 -16.900 13.289 1.00 29.87 C ATOM 461 O THR A 57 -0.107 -17.706 13.383 1.00 28.03 O ATOM 462 CB THR A 57 0.571 -15.636 11.782 1.00 26.84 C ATOM 463 OG1 THR A 57 1.598 -15.419 12.776 1.00 21.07 O ATOM 464 CG2 THR A 57 0.653 -14.556 10.723 1.00 22.36 C ATOM 465 N GLY A 58 -2.181 -17.042 13.908 1.00 32.44 N ATOM 466 CA GLY A 58 -2.471 -18.224 14.709 1.00 37.68 C ATOM 467 C GLY A 58 -2.115 -18.177 16.183 1.00 37.60 C ATOM 468 O GLY A 58 -2.586 -19.016 16.959 1.00 39.81 O ATOM 469 N GLY A 59 -1.313 -17.193 16.577 1.00 32.25 N ATOM 470 CA GLY A 59 -0.887 -17.075 17.965 1.00 31.48 C ATOM 471 C GLY A 59 0.605 -16.783 18.055 1.00 25.96 C ATOM 472 O GLY A 59 1.049 -15.979 18.875 1.00 30.11 O ATOM 473 N VAL A 60 1.396 -17.424 17.200 1.00 25.21 N ATOM 474 CA VAL A 60 2.837 -17.212 17.179 1.00 27.06 C ATOM 475 C VAL A 60 3.200 -16.505 15.865 1.00 28.72 C ATOM 476 O VAL A 60 2.732 -16.905 14.809 1.00 25.73 O ATOM 477 CB VAL A 60 3.591 -18.580 17.264 1.00 31.67 C ATOM 478 CG1 VAL A 60 5.090 -18.379 17.165 1.00 39.36 C ATOM 479 CG2 VAL A 60 3.253 -19.258 18.564 1.00 35.55 C ATOM 480 N PRO A 61 4.014 -15.427 15.924 1.00 25.17 N ATOM 481 CA PRO A 61 4.411 -14.709 14.705 1.00 26.22 C ATOM 482 C PRO A 61 5.002 -15.675 13.710 1.00 24.63 C ATOM 483 O PRO A 61 5.959 -16.382 14.018 1.00 28.32 O ATOM 484 CB PRO A 61 5.447 -13.694 15.214 1.00 25.85 C ATOM 485 CG PRO A 61 4.908 -13.342 16.552 1.00 19.71 C ATOM 486 CD PRO A 61 4.524 -14.738 17.121 1.00 27.38 C ATOM 487 N THR A 62 4.419 -15.717 12.519 1.00 20.16 N ATOM 488 CA THR A 62 4.910 -16.599 11.489 1.00 27.29 C ATOM 489 C THR A 62 5.076 -15.801 10.236 1.00 27.37 C ATOM 490 O THR A 62 4.111 -15.193 9.764 1.00 23.89 O ATOM 491 CB THR A 62 3.925 -17.722 11.221 1.00 27.84 C ATOM 492 OG1 THR A 62 3.695 -18.437 12.435 1.00 30.96 O ATOM 493 CG2 THR A 62 4.485 -18.676 10.189 1.00 34.63 C ATOM 494 N PHE A 63 6.286 -15.838 9.681 1.00 30.03 N ATOM 495 CA PHE A 63 6.616 -15.104 8.461 1.00 35.76 C ATOM 496 C PHE A 63 6.871 -16.049 7.288 1.00 43.08 C ATOM 497 O PHE A 63 7.057 -17.253 7.478 1.00 44.61 O ATOM 498 CB PHE A 63 7.862 -14.280 8.707 1.00 32.55 C ATOM 499 CG PHE A 63 7.832 -13.530 10.009 1.00 33.81 C ATOM 500 CD1 PHE A 63 8.516 -14.013 11.132 1.00 27.24 C ATOM 501 CD2 PHE A 63 7.108 -12.353 10.122 1.00 32.45 C ATOM 502 CE1 PHE A 63 8.478 -13.323 12.340 1.00 29.63 C ATOM 503 CE2 PHE A 63 7.063 -11.658 11.342 1.00 34.23 C ATOM 504 CZ PHE A 63 7.749 -12.146 12.441 1.00 26.17 C ATOM 505 N ASN A 64 6.882 -15.527 6.072 1.00 46.07 N ATOM 506 CA ASN A 64 7.157 -16.411 4.939 1.00 52.56 C ATOM 507 C ASN A 64 7.342 -15.620 3.675 1.00 55.43 C ATOM 508 O ASN A 64 8.420 -15.611 3.079 1.00 50.40 O ATOM 509 CB ASN A 64 6.014 -17.395 4.719 1.00 58.66 C ATOM 510 CG ASN A 64 4.981 -16.873 3.740 1.00 63.88 C ATOM 511 OD1 ASN A 64 4.340 -15.853 3.986 1.00 64.73 O ATOM 512 ND2 ASN A 64 4.830 -17.561 2.611 1.00 70.22 N ATOM 513 N GLU A 65 6.277 -14.930 3.289 1.00 56.48 N ATOM 514 CA GLU A 65 6.262 -14.142 2.078 1.00 62.85 C ATOM 515 C GLU A 65 7.284 -13.010 2.083 1.00 61.41 C ATOM 516 O GLU A 65 8.484 -13.264 1.993 1.00 61.01 O ATOM 517 CB GLU A 65 4.857 -13.606 1.854 1.00 64.13 C ATOM 518 CG GLU A 65 4.732 -12.699 0.683 1.00 68.67 C ATOM 519 CD GLU A 65 4.089 -11.390 1.062 1.00 72.36 C ATOM 520 OE1 GLU A 65 4.617 -10.725 1.976 1.00 66.66 O ATOM 521 OE2 GLU A 65 3.059 -11.033 0.453 1.00 74.37 O ATOM 522 N THR A 66 6.835 -11.760 2.172 1.00 61.79 N ATOM 523 CA THR A 66 7.811 -10.687 2.170 1.00 62.20 C ATOM 524 C THR A 66 8.687 -10.875 3.371 1.00 62.56 C ATOM 525 O THR A 66 8.587 -11.856 4.106 1.00 62.42 O ATOM 526 CB THR A 66 7.249 -9.274 2.330 1.00 60.44 C ATOM 527 OG1 THR A 66 6.663 -9.158 3.622 1.00 70.81 O ATOM 528 CG2 THR A 66 6.250 -8.938 1.262 1.00 65.87 C ATOM 529 N SER A 67 9.522 -9.871 3.564 1.00 63.05 N ATOM 530 CA SER A 67 10.489 -9.816 4.620 1.00 61.35 C ATOM 531 C SER A 67 11.827 -9.818 3.916 1.00 64.53 C ATOM 532 O SER A 67 12.278 -10.859 3.435 1.00 68.60 O ATOM 533 CB SER A 67 10.438 -11.044 5.563 1.00 60.51 C ATOM 534 OG SER A 67 9.253 -11.104 6.353 1.00 49.84 O ATOM 535 N GLY A 68 12.442 -8.644 3.806 1.00 63.93 N ATOM 536 CA GLY A 68 13.782 -8.584 3.266 1.00 56.35 C ATOM 537 C GLY A 68 14.387 -8.983 4.598 1.00 57.18 C ATOM 538 O GLY A 68 15.338 -8.377 5.120 1.00 59.76 O ATOM 539 N GLY A 69 13.767 -10.021 5.160 1.00 50.34 N ATOM 540 CA GLY A 69 14.130 -10.518 6.459 1.00 44.30 C ATOM 541 C GLY A 69 13.736 -9.353 7.331 1.00 40.80 C ATOM 542 O GLY A 69 14.420 -9.077 8.299 1.00 36.31 O ATOM 543 N SER A 70 12.657 -8.649 6.948 1.00 37.24 N ATOM 544 CA SER A 70 12.173 -7.484 7.694 1.00 32.64 C ATOM 545 C SER A 70 11.959 -7.803 9.156 1.00 32.68 C ATOM 546 O SER A 70 12.125 -6.938 10.008 1.00 32.87 O ATOM 547 CB SER A 70 10.849 -6.952 7.114 1.00 37.18 C ATOM 548 OG SER A 70 9.755 -7.852 7.276 1.00 32.33 O ATOM 549 N HIS A 71 11.557 -9.027 9.476 1.00 29.80 N ATOM 550 CA HIS A 71 11.372 -9.331 10.903 1.00 30.55 C ATOM 551 C HIS A 71 12.714 -9.346 11.640 1.00 30.37 C ATOM 552 O HIS A 71 12.766 -9.398 12.881 1.00 32.56 O ATOM 553 CB HIS A 71 10.647 -10.655 11.090 1.00 33.66 C ATOM 554 CG HIS A 71 11.228 -11.783 10.305 1.00 36.04 C ATOM 555 ND1 HIS A 71 11.226 -11.810 8.930 1.00 40.29 N ATOM 556 CD2 HIS A 71 11.778 -12.953 10.706 1.00 40.19 C ATOM 557 CE1 HIS A 71 11.750 -12.949 8.513 1.00 43.33 C ATOM 558 NE2 HIS A 71 12.091 -13.662 9.572 1.00 43.28 N ATOM 559 N LYS A 72 13.800 -9.300 10.874 1.00 30.05 N ATOM 560 CA LYS A 72 15.134 -9.222 11.459 1.00 31.36 C ATOM 561 C LYS A 72 15.317 -7.817 12.040 1.00 30.16 C ATOM 562 O LYS A 72 16.076 -7.628 13.001 1.00 32.80 O ATOM 563 CB LYS A 72 16.231 -9.377 10.403 1.00 34.01 C ATOM 564 CG LYS A 72 16.487 -10.769 9.863 1.00 46.64 C ATOM 565 CD LYS A 72 17.612 -10.712 8.829 1.00 44.95 C ATOM 566 CE LYS A 72 17.904 -12.086 8.202 1.00 55.45 C ATOM 567 NZ LYS A 72 16.782 -12.697 7.400 1.00 55.24 N ATOM 568 N TRP A 73 14.625 -6.843 11.463 1.00 25.97 N ATOM 569 CA TRP A 73 14.819 -5.440 11.869 1.00 26.60 C ATOM 570 C TRP A 73 13.724 -4.708 12.623 1.00 28.02 C ATOM 571 O TRP A 73 13.993 -3.695 13.321 1.00 31.50 O ATOM 572 CB TRP A 73 15.151 -4.595 10.642 1.00 25.21 C ATOM 573 CG TRP A 73 16.052 -5.262 9.694 1.00 27.06 C ATOM 574 CD1 TRP A 73 15.702 -5.904 8.541 1.00 32.17 C ATOM 575 CD2 TRP A 73 17.457 -5.411 9.832 1.00 32.07 C ATOM 576 NE1 TRP A 73 16.812 -6.452 7.953 1.00 35.81 N ATOM 577 CE2 TRP A 73 17.907 -6.164 8.726 1.00 37.04 C ATOM 578 CE3 TRP A 73 18.391 -4.979 10.786 1.00 36.74 C ATOM 579 CZ2 TRP A 73 19.259 -6.501 8.545 1.00 39.97 C ATOM 580 CZ3 TRP A 73 19.743 -5.315 10.605 1.00 41.59 C ATOM 581 CH2 TRP A 73 20.156 -6.069 9.492 1.00 35.84 C ATOM 582 N VAL A 74 12.489 -5.155 12.464 1.00 20.46 N ATOM 583 CA VAL A 74 11.382 -4.498 13.136 1.00 15.66 C ATOM 584 C VAL A 74 10.960 -5.357 14.302 1.00 18.77 C ATOM 585 O VAL A 74 10.604 -6.535 14.108 1.00 21.89 O ATOM 586 CB VAL A 74 10.179 -4.364 12.186 1.00 16.88 C ATOM 587 CG1 VAL A 74 9.003 -3.728 12.940 1.00 19.96 C ATOM 588 CG2 VAL A 74 10.606 -3.518 10.926 1.00 19.77 C ATOM 589 N TYR A 75 11.015 -4.808 15.504 1.00 19.92 N ATOM 590 CA TYR A 75 10.599 -5.547 16.701 1.00 19.03 C ATOM 591 C TYR A 75 9.099 -5.775 16.673 1.00 18.38 C ATOM 592 O TYR A 75 8.358 -4.914 16.192 1.00 20.46 O ATOM 593 CB TYR A 75 11.022 -4.763 17.947 1.00 21.35 C ATOM 594 CG TYR A 75 12.516 -4.649 18.031 1.00 20.61 C ATOM 595 CD1 TYR A 75 13.181 -3.482 17.603 1.00 29.10 C ATOM 596 CD2 TYR A 75 13.285 -5.712 18.503 1.00 29.20 C ATOM 597 CE1 TYR A 75 14.571 -3.380 17.644 1.00 29.23 C ATOM 598 CE2 TYR A 75 14.690 -5.622 18.547 1.00 27.81 C ATOM 599 CZ TYR A 75 15.319 -4.462 18.127 1.00 36.14 C ATOM 600 OH TYR A 75 16.686 -4.355 18.233 1.00 36.32 O ATOM 601 N LEU A 76 8.635 -6.967 17.091 1.00 19.93 N ATOM 602 CA LEU A 76 7.206 -7.267 17.127 1.00 19.21 C ATOM 603 C LEU A 76 6.822 -7.706 18.538 1.00 23.06 C ATOM 604 O LEU A 76 7.237 -8.794 18.991 1.00 23.82 O ATOM 605 CB LEU A 76 6.842 -8.395 16.133 1.00 22.13 C ATOM 606 CG LEU A 76 5.367 -8.826 16.089 1.00 23.82 C ATOM 607 CD1 LEU A 76 4.506 -7.591 15.778 1.00 22.58 C ATOM 608 CD2 LEU A 76 5.152 -9.935 15.022 1.00 22.05 C ATOM 609 N ARG A 77 6.038 -6.883 19.230 1.00 17.75 N ATOM 610 CA ARG A 77 5.601 -7.184 20.578 1.00 21.06 C ATOM 611 C ARG A 77 4.206 -7.789 20.529 1.00 20.60 C ATOM 612 O ARG A 77 3.268 -7.209 19.979 1.00 20.65 O ATOM 613 CB ARG A 77 5.615 -5.925 21.451 1.00 20.75 C ATOM 614 CG ARG A 77 5.354 -6.214 22.934 1.00 29.00 C ATOM 615 CD ARG A 77 5.426 -4.926 23.734 1.00 30.59 C ATOM 616 NE ARG A 77 6.730 -4.297 23.582 1.00 30.76 N ATOM 617 CZ ARG A 77 7.750 -4.462 24.417 1.00 35.97 C ATOM 618 NH1 ARG A 77 7.619 -5.236 25.493 1.00 29.74 N ATOM 619 NH2 ARG A 77 8.911 -3.869 24.155 1.00 29.90 N ATOM 620 N VAL A 78 4.068 -8.999 21.074 1.00 20.15 N ATOM 621 CA VAL A 78 2.785 -9.645 21.056 1.00 19.42 C ATOM 622 C VAL A 78 2.163 -9.455 22.436 1.00 21.18 C ATOM 623 O VAL A 78 2.835 -9.641 23.484 1.00 22.67 O ATOM 624 CB VAL A 78 2.911 -11.175 20.715 1.00 22.15 C ATOM 625 CG1 VAL A 78 1.535 -11.786 20.529 1.00 27.18 C ATOM 626 CG2 VAL A 78 3.746 -11.369 19.468 1.00 23.25 C ATOM 627 N HIS A 79 0.889 -9.083 22.460 1.00 21.85 N ATOM 628 CA HIS A 79 0.250 -8.853 23.746 1.00 23.18 C ATOM 629 C HIS A 79 -0.745 -9.962 24.048 1.00 25.84 C ATOM 630 O HIS A 79 -1.338 -10.531 23.123 1.00 29.26 O ATOM 631 CB HIS A 79 -0.449 -7.507 23.751 1.00 22.36 C ATOM 632 CG HIS A 79 0.486 -6.348 23.615 1.00 20.52 C ATOM 633 ND1 HIS A 79 0.964 -5.916 22.395 1.00 26.48 N ATOM 634 CD2 HIS A 79 1.089 -5.576 24.549 1.00 19.66 C ATOM 635 CE1 HIS A 79 1.822 -4.929 22.588 1.00 16.41 C ATOM 636 NE2 HIS A 79 1.912 -4.705 23.882 1.00 24.40 N ATOM 637 N PRO A 80 -0.982 -10.256 25.347 1.00 27.57 N ATOM 638 CA PRO A 80 -1.924 -11.328 25.731 1.00 28.00 C ATOM 639 C PRO A 80 -3.336 -11.120 25.234 1.00 28.24 C ATOM 640 O PRO A 80 -4.030 -12.069 24.908 1.00 30.77 O ATOM 641 CB PRO A 80 -1.849 -11.337 27.265 1.00 23.39 C ATOM 642 CG PRO A 80 -0.514 -10.882 27.552 1.00 28.79 C ATOM 643 CD PRO A 80 -0.266 -9.749 26.527 1.00 25.86 C ATOM 644 N ASP A 81 -3.768 -9.864 25.179 1.00 21.82 N ATOM 645 CA ASP A 81 -5.084 -9.538 24.695 1.00 26.09 C ATOM 646 C ASP A 81 -5.106 -8.059 24.319 1.00 22.94 C ATOM 647 O ASP A 81 -4.138 -7.331 24.547 1.00 22.34 O ATOM 648 CB ASP A 81 -6.182 -9.848 25.746 1.00 30.13 C ATOM 649 CG ASP A 81 -6.109 -8.965 26.996 1.00 33.31 C ATOM 650 OD1 ASP A 81 -5.855 -7.751 26.920 1.00 28.16 O ATOM 651 OD2 ASP A 81 -6.338 -9.501 28.097 1.00 43.84 O ATOM 652 N LEU A 82 -6.211 -7.643 23.734 1.00 23.32 N ATOM 653 CA LEU A 82 -6.422 -6.264 23.274 1.00 23.05 C ATOM 654 C LEU A 82 -6.303 -5.187 24.350 1.00 25.58 C ATOM 655 O LEU A 82 -5.720 -4.128 24.106 1.00 23.09 O ATOM 656 CB LEU A 82 -7.805 -6.207 22.646 1.00 30.39 C ATOM 657 CG LEU A 82 -8.168 -5.244 21.548 1.00 31.87 C ATOM 658 CD1 LEU A 82 -7.241 -5.447 20.380 1.00 26.67 C ATOM 659 CD2 LEU A 82 -9.625 -5.516 21.152 1.00 28.25 C ATOM 660 N HIS A 83 -6.851 -5.434 25.547 1.00 25.06 N ATOM 661 CA HIS A 83 -6.772 -4.439 26.620 1.00 18.39 C ATOM 662 C HIS A 83 -5.350 -4.196 27.055 1.00 17.76 C ATOM 663 O HIS A 83 -4.993 -3.082 27.361 1.00 20.53 O ATOM 664 CB HIS A 83 -7.652 -4.868 27.809 1.00 22.96 C ATOM 665 CG HIS A 83 -9.100 -4.882 27.452 1.00 25.60 C ATOM 666 ND1 HIS A 83 -9.865 -3.737 27.460 1.00 21.53 N ATOM 667 CD2 HIS A 83 -9.877 -5.849 26.907 1.00 24.54 C ATOM 668 CE1 HIS A 83 -11.047 -3.997 26.934 1.00 24.10 C ATOM 669 NE2 HIS A 83 -11.081 -5.270 26.585 1.00 25.77 N ATOM 670 N GLU A 84 -4.521 -5.222 27.087 1.00 18.43 N ATOM 671 CA GLU A 84 -3.130 -5.041 27.484 1.00 19.11 C ATOM 672 C GLU A 84 -2.364 -4.254 26.423 1.00 18.19 C ATOM 673 O GLU A 84 -1.536 -3.417 26.752 1.00 21.58 O ATOM 674 CB GLU A 84 -2.439 -6.399 27.694 1.00 21.06 C ATOM 675 CG GLU A 84 -3.055 -7.191 28.848 1.00 26.45 C ATOM 676 CD GLU A 84 -3.059 -6.391 30.138 1.00 26.53 C ATOM 677 OE1 GLU A 84 -1.973 -6.045 30.632 1.00 30.30 O ATOM 678 OE2 GLU A 84 -4.154 -6.105 30.650 1.00 27.60 O ATOM 679 N ALA A 85 -2.641 -4.529 25.145 1.00 18.48 N ATOM 680 CA ALA A 85 -1.959 -3.834 24.053 1.00 19.49 C ATOM 681 C ALA A 85 -2.337 -2.358 24.175 1.00 18.71 C ATOM 682 O ALA A 85 -1.473 -1.497 24.036 1.00 19.72 O ATOM 683 CB ALA A 85 -2.407 -4.386 22.679 1.00 19.56 C ATOM 684 N PHE A 86 -3.613 -2.078 24.434 1.00 20.36 N ATOM 685 CA PHE A 86 -4.025 -0.667 24.560 1.00 16.86 C ATOM 686 C PHE A 86 -3.425 -0.034 25.790 1.00 22.29 C ATOM 687 O PHE A 86 -2.980 1.111 25.763 1.00 20.60 O ATOM 688 CB PHE A 86 -5.546 -0.538 24.612 1.00 19.35 C ATOM 689 CG PHE A 86 -6.178 -0.374 23.267 1.00 20.57 C ATOM 690 CD1 PHE A 86 -6.450 -1.476 22.469 1.00 25.29 C ATOM 691 CD2 PHE A 86 -6.469 0.921 22.780 1.00 27.28 C ATOM 692 CE1 PHE A 86 -7.008 -1.313 21.192 1.00 24.87 C ATOM 693 CE2 PHE A 86 -7.017 1.109 21.513 1.00 21.13 C ATOM 694 CZ PHE A 86 -7.290 0.001 20.712 1.00 25.99 C ATOM 695 N ARG A 87 -3.419 -0.764 26.898 1.00 19.61 N ATOM 696 CA ARG A 87 -2.826 -0.196 28.102 1.00 20.27 C ATOM 697 C ARG A 87 -1.362 0.153 27.790 1.00 21.67 C ATOM 698 O ARG A 87 -0.898 1.256 28.075 1.00 21.73 O ATOM 699 CB ARG A 87 -2.947 -1.230 29.236 1.00 29.05 C ATOM 700 CG ARG A 87 -2.527 -0.774 30.590 1.00 43.22 C ATOM 701 CD ARG A 87 -2.888 -1.856 31.605 1.00 45.68 C ATOM 702 NE ARG A 87 -4.336 -2.042 31.722 1.00 50.73 N ATOM 703 CZ ARG A 87 -5.093 -1.492 32.672 1.00 52.06 C ATOM 704 NH1 ARG A 87 -4.546 -0.716 33.604 1.00 49.67 N ATOM 705 NH2 ARG A 87 -6.403 -1.721 32.689 1.00 55.88 N ATOM 706 N PHE A 88 -0.624 -0.778 27.190 1.00 17.88 N ATOM 707 CA PHE A 88 0.755 -0.546 26.816 1.00 17.55 C ATOM 708 C PHE A 88 0.933 0.720 25.968 1.00 19.91 C ATOM 709 O PHE A 88 1.767 1.564 26.277 1.00 20.45 O ATOM 710 CB PHE A 88 1.287 -1.748 26.041 1.00 24.73 C ATOM 711 CG PHE A 88 2.745 -1.673 25.742 1.00 23.30 C ATOM 712 CD1 PHE A 88 3.662 -2.313 26.582 1.00 29.22 C ATOM 713 CD2 PHE A 88 3.216 -0.949 24.646 1.00 23.93 C ATOM 714 CE1 PHE A 88 5.031 -2.224 26.320 1.00 29.96 C ATOM 715 CE2 PHE A 88 4.566 -0.857 24.391 1.00 27.74 C ATOM 716 CZ PHE A 88 5.478 -1.496 25.227 1.00 23.93 C ATOM 717 N LEU A 89 0.150 0.871 24.904 1.00 21.00 N ATOM 718 CA LEU A 89 0.297 2.068 24.035 1.00 18.32 C ATOM 719 C LEU A 89 -0.143 3.389 24.673 1.00 18.84 C ATOM 720 O LEU A 89 0.569 4.381 24.550 1.00 20.05 O ATOM 721 CB LEU A 89 -0.482 1.872 22.713 1.00 18.76 C ATOM 722 CG LEU A 89 -0.030 0.623 21.925 1.00 15.85 C ATOM 723 CD1 LEU A 89 -1.145 0.225 20.918 1.00 20.86 C ATOM 724 CD2 LEU A 89 1.311 0.848 21.255 1.00 18.45 C ATOM 725 N LYS A 90 -1.272 3.386 25.373 1.00 17.99 N ATOM 726 CA LYS A 90 -1.799 4.607 26.008 1.00 20.34 C ATOM 727 C LYS A 90 -0.856 5.120 27.098 1.00 22.45 C ATOM 728 O LYS A 90 -0.655 6.321 27.251 1.00 25.88 O ATOM 729 CB LYS A 90 -3.209 4.354 26.582 1.00 22.67 C ATOM 730 CG LYS A 90 -4.281 3.955 25.526 1.00 23.05 C ATOM 731 CD LYS A 90 -4.434 5.020 24.401 1.00 23.65 C ATOM 732 CE LYS A 90 -4.928 6.378 24.927 1.00 34.74 C ATOM 733 NZ LYS A 90 -5.005 7.421 23.831 1.00 32.11 N ATOM 734 N GLU A 91 -0.274 4.218 27.865 1.00 22.52 N ATOM 735 CA GLU A 91 0.647 4.627 28.926 1.00 25.39 C ATOM 736 C GLU A 91 1.885 5.308 28.378 1.00 26.18 C ATOM 737 O GLU A 91 2.554 6.069 29.089 1.00 28.21 O ATOM 738 CB GLU A 91 1.084 3.424 29.732 1.00 24.22 C ATOM 739 CG GLU A 91 0.091 2.971 30.752 1.00 32.81 C ATOM 740 CD GLU A 91 0.792 2.179 31.841 1.00 41.77 C ATOM 741 OE1 GLU A 91 0.795 2.640 33.004 1.00 44.85 O ATOM 742 OE2 GLU A 91 1.358 1.109 31.518 1.00 35.80 O ATOM 743 N ARG A 92 2.180 5.025 27.112 1.00 23.02 N ATOM 744 CA ARG A 92 3.314 5.563 26.410 1.00 23.71 C ATOM 745 C ARG A 92 2.992 6.780 25.564 1.00 23.93 C ATOM 746 O ARG A 92 3.806 7.184 24.751 1.00 24.91 O ATOM 747 CB ARG A 92 3.957 4.484 25.529 1.00 27.22 C ATOM 748 CG ARG A 92 5.359 4.171 25.948 1.00 33.67 C ATOM 749 CD ARG A 92 5.661 2.683 25.881 1.00 31.04 C ATOM 750 NE ARG A 92 4.682 1.997 26.678 1.00 42.30 N ATOM 751 CZ ARG A 92 4.950 0.982 27.485 1.00 29.56 C ATOM 752 NH1 ARG A 92 6.179 0.518 27.613 1.00 35.44 N ATOM 753 NH2 ARG A 92 3.971 0.440 28.154 1.00 24.89 N ATOM 754 N GLY A 93 1.803 7.334 25.749 1.00 25.39 N ATOM 755 CA GLY A 93 1.430 8.541 25.031 1.00 23.79 C ATOM 756 C GLY A 93 0.876 8.450 23.630 1.00 24.84 C ATOM 757 O GLY A 93 0.672 9.478 22.984 1.00 22.03 O ATOM 758 N PHE A 94 0.626 7.240 23.143 1.00 19.53 N ATOM 759 CA PHE A 94 0.065 7.073 21.800 1.00 21.02 C ATOM 760 C PHE A 94 -1.434 7.385 21.692 1.00 21.10 C ATOM 761 O PHE A 94 -2.190 7.124 22.624 1.00 18.46 O ATOM 762 CB PHE A 94 0.197 5.603 21.341 1.00 20.44 C ATOM 763 CG PHE A 94 1.585 5.205 20.966 1.00 18.71 C ATOM 764 CD1 PHE A 94 2.459 4.689 21.920 1.00 18.09 C ATOM 765 CD2 PHE A 94 2.016 5.335 19.642 1.00 19.56 C ATOM 766 CE1 PHE A 94 3.743 4.303 21.559 1.00 16.16 C ATOM 767 CE2 PHE A 94 3.272 4.968 19.276 1.00 19.07 C ATOM 768 CZ PHE A 94 4.151 4.453 20.227 1.00 17.98 C ATOM 769 N THR A 95 -1.850 7.925 20.541 1.00 19.60 N ATOM 770 CA THR A 95 -3.261 8.108 20.238 1.00 18.71 C ATOM 771 C THR A 95 -3.429 6.905 19.331 1.00 16.71 C ATOM 772 O THR A 95 -2.587 6.704 18.449 1.00 19.04 O ATOM 773 CB THR A 95 -3.532 9.335 19.391 1.00 22.18 C ATOM 774 OG1 THR A 95 -3.422 10.505 20.212 1.00 24.78 O ATOM 775 CG2 THR A 95 -4.928 9.255 18.789 1.00 26.35 C ATOM 776 N VAL A 96 -4.499 6.153 19.517 1.00 18.92 N ATOM 777 CA VAL A 96 -4.679 4.928 18.755 1.00 18.36 C ATOM 778 C VAL A 96 -5.899 5.020 17.864 1.00 19.19 C ATOM 779 O VAL A 96 -7.011 5.178 18.347 1.00 20.98 O ATOM 780 CB VAL A 96 -4.828 3.707 19.741 1.00 22.26 C ATOM 781 CG1 VAL A 96 -4.864 2.404 18.954 1.00 17.40 C ATOM 782 CG2 VAL A 96 -3.657 3.659 20.749 1.00 16.93 C ATOM 783 N TYR A 97 -5.716 4.922 16.555 1.00 19.56 N ATOM 784 CA TYR A 97 -6.876 4.991 15.659 1.00 17.95 C ATOM 785 C TYR A 97 -7.167 3.621 15.111 1.00 17.88 C ATOM 786 O TYR A 97 -6.231 2.919 14.742 1.00 21.94 O ATOM 787 CB TYR A 97 -6.577 5.864 14.465 1.00 18.29 C ATOM 788 CG TYR A 97 -6.357 7.321 14.783 1.00 19.98 C ATOM 789 CD1 TYR A 97 -5.075 7.842 14.825 1.00 21.93 C ATOM 790 CD2 TYR A 97 -7.426 8.167 15.014 1.00 24.79 C ATOM 791 CE1 TYR A 97 -4.858 9.197 15.094 1.00 29.30 C ATOM 792 CE2 TYR A 97 -7.222 9.521 15.285 1.00 32.17 C ATOM 793 CZ TYR A 97 -5.943 10.020 15.323 1.00 29.42 C ATOM 794 OH TYR A 97 -5.725 11.343 15.591 1.00 36.56 O ATOM 795 N ALA A 98 -8.439 3.249 15.052 1.00 19.92 N ATOM 796 CA ALA A 98 -8.807 1.953 14.512 1.00 18.42 C ATOM 797 C ALA A 98 -9.124 2.261 13.056 1.00 25.18 C ATOM 798 O ALA A 98 -9.526 3.378 12.736 1.00 24.78 O ATOM 799 CB ALA A 98 -10.070 1.422 15.197 1.00 21.81 C ATOM 800 N THR A 99 -8.925 1.288 12.177 1.00 21.09 N ATOM 801 CA THR A 99 -9.250 1.486 10.783 1.00 21.75 C ATOM 802 C THR A 99 -10.591 0.819 10.636 1.00 24.74 C ATOM 803 O THR A 99 -10.813 -0.294 11.144 1.00 25.27 O ATOM 804 CB THR A 99 -8.217 0.854 9.843 1.00 25.17 C ATOM 805 OG1 THR A 99 -7.867 -0.449 10.320 1.00 19.52 O ATOM 806 CG2 THR A 99 -7.013 1.710 9.752 1.00 17.49 C ATOM 807 N ALA A 100 -11.511 1.497 9.969 1.00 26.60 N ATOM 808 CA ALA A 100 -12.827 0.917 9.825 1.00 26.30 C ATOM 809 C ALA A 100 -13.386 1.188 8.451 1.00 29.96 C ATOM 810 O ALA A 100 -13.008 2.163 7.795 1.00 29.84 O ATOM 811 CB ALA A 100 -13.756 1.466 10.893 1.00 29.46 C ATOM 812 N LEU A 101 -14.272 0.300 8.011 1.00 28.94 N ATOM 813 CA LEU A 101 -14.883 0.429 6.702 1.00 33.26 C ATOM 814 C LEU A 101 -16.212 1.183 6.782 1.00 38.79 C ATOM 815 O LEU A 101 -16.883 1.363 5.776 1.00 39.73 O ATOM 816 CB LEU A 101 -15.050 -0.966 6.076 1.00 33.88 C ATOM 817 CG LEU A 101 -13.788 -1.605 5.450 1.00 34.47 C ATOM 818 CD1 LEU A 101 -13.402 -0.812 4.217 1.00 36.13 C ATOM 819 CD2 LEU A 101 -12.617 -1.631 6.395 1.00 34.48 C ATOM 820 N ARG A 102 -16.542 1.654 7.984 1.00 39.84 N ATOM 821 CA ARG A 102 -17.761 2.413 8.275 1.00 45.03 C ATOM 822 C ARG A 102 -17.743 3.715 7.502 1.00 46.74 C ATOM 823 O ARG A 102 -16.676 4.286 7.251 1.00 48.05 O ATOM 824 CB ARG A 102 -17.827 2.756 9.766 1.00 43.83 C ATOM 825 CG ARG A 102 -17.767 1.582 10.710 1.00 47.67 C ATOM 826 CD ARG A 102 -17.572 2.060 12.142 1.00 53.90 C ATOM 827 NE ARG A 102 -18.748 2.769 12.638 1.00 63.81 N ATOM 828 CZ ARG A 102 -18.805 3.432 13.794 1.00 69.24 C ATOM 829 NH1 ARG A 102 -17.743 3.487 14.593 1.00 70.43 N ATOM 830 NH2 ARG A 102 -19.932 4.038 14.156 1.00 70.35 N ATOM 831 N GLU A 103 -18.914 4.213 7.123 1.00 46.75 N ATOM 832 CA GLU A 103 -18.916 5.468 6.394 1.00 47.19 C ATOM 833 C GLU A 103 -18.810 6.672 7.338 1.00 45.26 C ATOM 834 O GLU A 103 -18.704 7.806 6.892 1.00 49.45 O ATOM 835 CB GLU A 103 -20.139 5.544 5.483 1.00 50.33 C ATOM 836 CG GLU A 103 -20.102 4.448 4.425 1.00 56.89 C ATOM 837 CD GLU A 103 -20.169 4.969 2.989 1.00 63.03 C ATOM 838 OE1 GLU A 103 -19.844 4.192 2.058 1.00 61.27 O ATOM 839 OE2 GLU A 103 -20.555 6.143 2.787 1.00 64.92 O ATOM 840 N ASP A 104 -18.802 6.424 8.647 1.00 45.29 N ATOM 841 CA ASP A 104 -18.648 7.522 9.607 1.00 44.15 C ATOM 842 C ASP A 104 -17.195 7.667 10.125 1.00 44.54 C ATOM 843 O ASP A 104 -16.937 8.419 11.069 1.00 41.00 O ATOM 844 CB ASP A 104 -19.594 7.346 10.798 1.00 50.21 C ATOM 845 CG ASP A 104 -19.207 6.188 11.679 1.00 54.89 C ATOM 846 OD1 ASP A 104 -19.407 6.294 12.914 1.00 61.37 O ATOM 847 OD2 ASP A 104 -18.711 5.175 11.139 1.00 57.63 O ATOM 848 N ALA A 105 -16.247 6.947 9.524 1.00 38.37 N ATOM 849 CA ALA A 105 -14.855 7.068 9.960 1.00 34.51 C ATOM 850 C ALA A 105 -14.227 8.302 9.349 1.00 30.12 C ATOM 851 O ALA A 105 -14.668 8.779 8.313 1.00 28.21 O ATOM 852 CB ALA A 105 -14.064 5.834 9.567 1.00 26.36 C ATOM 853 N ARG A 106 -13.180 8.819 9.978 1.00 28.00 N ATOM 854 CA ARG A 106 -12.509 10.002 9.445 1.00 26.05 C ATOM 855 C ARG A 106 -11.594 9.637 8.272 1.00 31.05 C ATOM 856 O ARG A 106 -11.000 8.544 8.246 1.00 26.06 O ATOM 857 CB ARG A 106 -11.691 10.663 10.543 1.00 32.40 C ATOM 858 CG ARG A 106 -10.998 11.944 10.145 1.00 38.75 C ATOM 859 CD ARG A 106 -10.307 12.583 11.348 1.00 48.21 C ATOM 860 NE ARG A 106 -10.484 11.801 12.567 1.00 50.38 N ATOM 861 CZ ARG A 106 -9.733 11.955 13.655 1.00 57.66 C ATOM 862 NH1 ARG A 106 -8.760 12.861 13.667 1.00 54.46 N ATOM 863 NH2 ARG A 106 -9.939 11.195 14.727 1.00 59.26 N ATOM 864 N ASP A 107 -11.496 10.541 7.293 1.00 25.04 N ATOM 865 CA ASP A 107 -10.627 10.312 6.156 1.00 27.04 C ATOM 866 C ASP A 107 -9.192 10.199 6.708 1.00 25.83 C ATOM 867 O ASP A 107 -8.718 11.091 7.436 1.00 22.85 O ATOM 868 CB ASP A 107 -10.708 11.477 5.171 1.00 26.12 C ATOM 869 CG ASP A 107 -9.931 11.204 3.879 1.00 29.59 C ATOM 870 OD1 ASP A 107 -8.749 10.825 3.921 1.00 26.50 O ATOM 871 OD2 ASP A 107 -10.518 11.382 2.808 1.00 42.50 O ATOM 872 N PHE A 108 -8.495 9.115 6.358 1.00 26.40 N ATOM 873 CA PHE A 108 -7.140 8.894 6.882 1.00 25.41 C ATOM 874 C PHE A 108 -6.108 9.993 6.617 1.00 26.68 C ATOM 875 O PHE A 108 -5.134 10.097 7.340 1.00 23.92 O ATOM 876 CB PHE A 108 -6.594 7.514 6.399 1.00 20.16 C ATOM 877 CG PHE A 108 -5.953 7.560 5.060 1.00 20.58 C ATOM 878 CD1 PHE A 108 -4.561 7.484 4.932 1.00 21.70 C ATOM 879 CD2 PHE A 108 -6.738 7.731 3.910 1.00 21.18 C ATOM 880 CE1 PHE A 108 -3.946 7.581 3.697 1.00 21.80 C ATOM 881 CE2 PHE A 108 -6.138 7.831 2.658 1.00 19.01 C ATOM 882 CZ PHE A 108 -4.754 7.758 2.543 1.00 23.50 C ATOM 883 N ARG A 109 -6.310 10.812 5.581 1.00 24.74 N ATOM 884 CA ARG A 109 -5.390 11.894 5.275 1.00 24.03 C ATOM 885 C ARG A 109 -5.591 13.126 6.168 1.00 29.63 C ATOM 886 O ARG A 109 -4.760 14.046 6.170 1.00 29.87 O ATOM 887 CB ARG A 109 -5.520 12.281 3.794 1.00 31.44 C ATOM 888 CG ARG A 109 -5.191 11.133 2.809 1.00 29.43 C ATOM 889 CD ARG A 109 -5.615 11.495 1.364 1.00 31.46 C ATOM 890 NE ARG A 109 -5.131 10.528 0.380 1.00 28.83 N ATOM 891 CZ ARG A 109 -5.904 9.731 -0.366 1.00 33.13 C ATOM 892 NH1 ARG A 109 -7.216 9.773 -0.271 1.00 30.12 N ATOM 893 NH2 ARG A 109 -5.349 8.866 -1.201 1.00 29.49 N ATOM 894 N GLU A 110 -6.660 13.124 6.957 1.00 28.52 N ATOM 895 CA GLU A 110 -6.947 14.249 7.840 1.00 29.16 C ATOM 896 C GLU A 110 -6.413 14.044 9.249 1.00 30.67 C ATOM 897 O GLU A 110 -6.742 14.796 10.154 1.00 32.80 O ATOM 898 CB GLU A 110 -8.460 14.510 7.871 1.00 34.46 C ATOM 899 CG GLU A 110 -9.059 14.538 6.454 1.00 41.53 C ATOM 900 CD GLU A 110 -10.501 14.999 6.381 1.00 45.19 C ATOM 901 OE1 GLU A 110 -11.289 14.709 7.314 1.00 50.40 O ATOM 902 OE2 GLU A 110 -10.850 15.642 5.361 1.00 43.88 O ATOM 903 N VAL A 111 -5.631 12.987 9.447 1.00 26.86 N ATOM 904 CA VAL A 111 -5.019 12.707 10.735 1.00 28.05 C ATOM 905 C VAL A 111 -3.617 13.301 10.693 1.00 23.16 C ATOM 906 O VAL A 111 -2.967 13.325 9.643 1.00 26.96 O ATOM 907 CB VAL A 111 -4.887 11.160 10.990 1.00 29.89 C ATOM 908 CG1 VAL A 111 -3.970 10.882 12.194 1.00 27.49 C ATOM 909 CG2 VAL A 111 -6.248 10.568 11.225 1.00 26.99 C ATOM 910 N ASP A 112 -3.158 13.802 11.825 1.00 22.15 N ATOM 911 CA ASP A 112 -1.826 14.337 11.911 1.00 26.44 C ATOM 912 C ASP A 112 -0.938 13.210 12.448 1.00 24.76 C ATOM 913 O ASP A 112 -0.869 13.009 13.659 1.00 25.74 O ATOM 914 CB ASP A 112 -1.758 15.505 12.881 1.00 27.62 C ATOM 915 CG ASP A 112 -0.365 16.096 12.974 1.00 32.18 C ATOM 916 OD1 ASP A 112 0.612 15.461 12.499 1.00 32.03 O ATOM 917 OD2 ASP A 112 -0.241 17.199 13.544 1.00 33.16 O ATOM 918 N TYR A 113 -0.257 12.499 11.549 1.00 22.04 N ATOM 919 CA TYR A 113 0.630 11.398 11.955 1.00 21.29 C ATOM 920 C TYR A 113 1.977 11.816 12.529 1.00 19.95 C ATOM 921 O TYR A 113 2.797 10.957 12.832 1.00 20.98 O ATOM 922 CB TYR A 113 0.878 10.415 10.791 1.00 17.74 C ATOM 923 CG TYR A 113 -0.373 9.827 10.244 1.00 18.57 C ATOM 924 CD1 TYR A 113 -1.023 10.419 9.159 1.00 18.97 C ATOM 925 CD2 TYR A 113 -0.934 8.686 10.813 1.00 20.68 C ATOM 926 CE1 TYR A 113 -2.200 9.896 8.646 1.00 22.88 C ATOM 927 CE2 TYR A 113 -2.114 8.146 10.318 1.00 22.97 C ATOM 928 CZ TYR A 113 -2.750 8.758 9.227 1.00 16.92 C ATOM 929 OH TYR A 113 -3.920 8.251 8.775 1.00 22.76 O ATOM 930 N THR A 114 2.233 13.112 12.717 1.00 19.89 N ATOM 931 CA THR A 114 3.512 13.525 13.284 1.00 21.88 C ATOM 932 C THR A 114 3.467 13.502 14.800 1.00 22.56 C ATOM 933 O THR A 114 4.499 13.683 15.444 1.00 25.66 O ATOM 934 CB THR A 114 3.969 14.970 12.823 1.00 27.55 C ATOM 935 OG1 THR A 114 3.150 15.958 13.444 1.00 27.40 O ATOM 936 CG2 THR A 114 3.883 15.123 11.296 1.00 28.37 C ATOM 937 N LYS A 115 2.277 13.277 15.362 1.00 24.23 N ATOM 938 CA LYS A 115 2.069 13.140 16.816 1.00 22.46 C ATOM 939 C LYS A 115 2.230 11.628 17.119 1.00 22.58 C ATOM 940 O LYS A 115 2.162 10.830 16.192 1.00 26.03 O ATOM 941 CB LYS A 115 0.650 13.572 17.193 1.00 29.57 C ATOM 942 CG LYS A 115 0.413 15.073 17.096 1.00 35.05 C ATOM 943 CD LYS A 115 -0.928 15.461 17.721 1.00 41.86 C ATOM 944 CE LYS A 115 -2.098 14.721 17.071 1.00 49.18 C ATOM 945 NZ LYS A 115 -3.424 15.068 17.674 1.00 51.39 N ATOM 946 N PRO A 116 2.422 11.226 18.386 1.00 21.97 N ATOM 947 CA PRO A 116 2.578 9.767 18.648 1.00 17.79 C ATOM 948 C PRO A 116 1.315 9.066 18.211 1.00 19.79 C ATOM 949 O PRO A 116 0.221 9.290 18.767 1.00 20.19 O ATOM 950 CB PRO A 116 2.818 9.697 20.159 1.00 19.12 C ATOM 951 CG PRO A 116 3.471 11.053 20.470 1.00 24.12 C ATOM 952 CD PRO A 116 2.644 12.005 19.621 1.00 26.05 C ATOM 953 N THR A 117 1.461 8.165 17.242 1.00 18.20 N ATOM 954 CA THR A 117 0.294 7.550 16.662 1.00 14.96 C ATOM 955 C THR A 117 0.485 6.061 16.487 1.00 14.05 C ATOM 956 O THR A 117 1.562 5.647 16.073 1.00 15.28 O ATOM 957 CB THR A 117 0.060 8.151 15.270 1.00 18.73 C ATOM 958 OG1 THR A 117 -0.083 9.584 15.395 1.00 21.71 O ATOM 959 CG2 THR A 117 -1.191 7.567 14.626 1.00 20.00 C ATOM 960 N ALA A 118 -0.567 5.336 16.828 1.00 14.78 N ATOM 961 CA ALA A 118 -0.585 3.872 16.612 1.00 16.18 C ATOM 962 C ALA A 118 -1.843 3.647 15.751 1.00 16.80 C ATOM 963 O ALA A 118 -2.883 4.151 16.084 1.00 16.93 O ATOM 964 CB ALA A 118 -0.723 3.177 17.946 1.00 18.41 C ATOM 965 N VAL A 119 -1.761 2.858 14.674 1.00 15.39 N ATOM 966 CA VAL A 119 -2.925 2.593 13.870 1.00 14.29 C ATOM 967 C VAL A 119 -3.206 1.118 13.981 1.00 16.46 C ATOM 968 O VAL A 119 -2.308 0.325 13.725 1.00 17.04 O ATOM 969 CB VAL A 119 -2.668 2.926 12.415 1.00 18.33 C ATOM 970 CG1 VAL A 119 -3.956 2.717 11.600 1.00 16.04 C ATOM 971 CG2 VAL A 119 -2.200 4.426 12.346 1.00 17.58 C ATOM 972 N LEU A 120 -4.449 0.795 14.332 1.00 14.89 N ATOM 973 CA LEU A 120 -4.884 -0.605 14.536 1.00 19.02 C ATOM 974 C LEU A 120 -5.510 -1.161 13.250 1.00 19.86 C ATOM 975 O LEU A 120 -6.331 -0.485 12.634 1.00 16.38 O ATOM 976 CB LEU A 120 -5.901 -0.640 15.705 1.00 23.87 C ATOM 977 CG LEU A 120 -6.851 -1.824 15.969 1.00 29.76 C ATOM 978 CD1 LEU A 120 -6.117 -3.113 15.996 1.00 32.99 C ATOM 979 CD2 LEU A 120 -7.543 -1.608 17.317 1.00 38.98 C ATOM 980 N PHE A 121 -5.153 -2.405 12.873 1.00 20.14 N ATOM 981 CA PHE A 121 -5.680 -3.063 11.646 1.00 18.95 C ATOM 982 C PHE A 121 -6.292 -4.393 12.082 1.00 20.85 C ATOM 983 O PHE A 121 -5.801 -4.997 13.034 1.00 17.77 O ATOM 984 CB PHE A 121 -4.540 -3.308 10.654 1.00 19.59 C ATOM 985 CG PHE A 121 -3.910 -2.044 10.159 1.00 17.51 C ATOM 986 CD1 PHE A 121 -2.858 -1.451 10.859 1.00 18.20 C ATOM 987 CD2 PHE A 121 -4.394 -1.447 8.995 1.00 16.24 C ATOM 988 CE1 PHE A 121 -2.283 -0.251 10.405 1.00 22.19 C ATOM 989 CE2 PHE A 121 -3.839 -0.249 8.522 1.00 18.50 C ATOM 990 CZ PHE A 121 -2.776 0.354 9.234 1.00 19.89 C ATOM 991 N GLY A 122 -7.358 -4.816 11.407 1.00 22.09 N ATOM 992 CA GLY A 122 -8.057 -6.030 11.813 1.00 21.88 C ATOM 993 C GLY A 122 -7.917 -7.220 10.908 1.00 22.30 C ATOM 994 O GLY A 122 -7.252 -7.183 9.871 1.00 24.73 O ATOM 995 N ALA A 123 -8.582 -8.284 11.317 1.00 18.38 N ATOM 996 CA ALA A 123 -8.546 -9.552 10.605 1.00 25.23 C ATOM 997 C ALA A 123 -8.915 -9.437 9.132 1.00 20.98 C ATOM 998 O ALA A 123 -9.809 -8.700 8.759 1.00 19.42 O ATOM 999 CB ALA A 123 -9.471 -10.521 11.288 1.00 19.86 C ATOM 1000 N GLU A 124 -8.228 -10.199 8.303 1.00 22.36 N ATOM 1001 CA GLU A 124 -8.493 -10.195 6.876 1.00 25.13 C ATOM 1002 C GLU A 124 -9.963 -10.423 6.495 1.00 25.99 C ATOM 1003 O GLU A 124 -10.514 -9.754 5.641 1.00 24.41 O ATOM 1004 CB GLU A 124 -7.674 -11.294 6.203 1.00 20.45 C ATOM 1005 CG GLU A 124 -6.176 -11.015 6.163 1.00 19.64 C ATOM 1006 CD GLU A 124 -5.465 -11.598 7.385 1.00 17.34 C ATOM 1007 OE1 GLU A 124 -4.266 -11.907 7.253 1.00 22.98 O ATOM 1008 OE2 GLU A 124 -6.103 -11.751 8.465 1.00 22.27 O ATOM 1009 N LYS A 125 -10.599 -11.400 7.098 1.00 25.47 N ATOM 1010 CA LYS A 125 -11.988 -11.693 6.670 1.00 27.85 C ATOM 1011 C LYS A 125 -13.113 -10.878 7.285 1.00 30.36 C ATOM 1012 O LYS A 125 -14.228 -10.842 6.734 1.00 36.53 O ATOM 1013 CB LYS A 125 -12.285 -13.185 6.898 1.00 37.74 C ATOM 1014 CG LYS A 125 -11.418 -14.124 6.064 1.00 45.43 C ATOM 1015 CD LYS A 125 -11.821 -14.126 4.593 1.00 50.35 C ATOM 1016 CE LYS A 125 -13.105 -14.945 4.369 1.00 53.83 C ATOM 1017 NZ LYS A 125 -12.985 -16.375 4.820 1.00 48.24 N ATOM 1018 N TRP A 126 -12.852 -10.197 8.391 1.00 23.22 N ATOM 1019 CA TRP A 126 -13.941 -9.499 9.062 1.00 20.60 C ATOM 1020 C TRP A 126 -13.639 -8.177 9.722 1.00 25.32 C ATOM 1021 O TRP A 126 -14.529 -7.570 10.352 1.00 25.77 O ATOM 1022 CB TRP A 126 -14.618 -10.426 10.069 1.00 27.39 C ATOM 1023 CG TRP A 126 -13.728 -11.037 11.085 1.00 25.12 C ATOM 1024 CD1 TRP A 126 -13.203 -10.439 12.186 1.00 28.27 C ATOM 1025 CD2 TRP A 126 -13.308 -12.406 11.132 1.00 31.44 C ATOM 1026 NE1 TRP A 126 -12.475 -11.353 12.929 1.00 28.69 N ATOM 1027 CE2 TRP A 126 -12.524 -12.566 12.298 1.00 30.07 C ATOM 1028 CE3 TRP A 126 -13.513 -13.511 10.297 1.00 32.19 C ATOM 1029 CZ2 TRP A 126 -11.944 -13.787 12.650 1.00 32.55 C ATOM 1030 CZ3 TRP A 126 -12.932 -14.727 10.646 1.00 32.59 C ATOM 1031 CH2 TRP A 126 -12.156 -14.853 11.814 1.00 32.22 C ATOM 1032 N GLY A 127 -12.385 -7.738 9.600 1.00 20.39 N ATOM 1033 CA GLY A 127 -12.029 -6.430 10.125 1.00 18.68 C ATOM 1034 C GLY A 127 -11.811 -6.301 11.624 1.00 25.33 C ATOM 1035 O GLY A 127 -11.857 -7.290 12.366 1.00 22.14 O ATOM 1036 N VAL A 128 -11.585 -5.066 12.063 1.00 24.26 N ATOM 1037 CA VAL A 128 -11.366 -4.761 13.480 1.00 24.69 C ATOM 1038 C VAL A 128 -12.594 -5.138 14.332 1.00 25.31 C ATOM 1039 O VAL A 128 -13.744 -4.890 13.945 1.00 23.90 O ATOM 1040 CB VAL A 128 -11.049 -3.269 13.630 1.00 28.39 C ATOM 1041 CG1 VAL A 128 -10.763 -2.939 15.073 1.00 30.32 C ATOM 1042 CG2 VAL A 128 -9.832 -2.898 12.766 1.00 31.82 C ATOM 1043 N SER A 129 -12.348 -5.720 15.504 1.00 26.46 N ATOM 1044 CA SER A 129 -13.433 -6.152 16.390 1.00 22.82 C ATOM 1045 C SER A 129 -14.199 -5.007 16.984 1.00 24.26 C ATOM 1046 O SER A 129 -13.708 -3.864 17.031 1.00 19.63 O ATOM 1047 CB SER A 129 -12.885 -7.027 17.524 1.00 31.06 C ATOM 1048 OG SER A 129 -12.132 -6.241 18.460 1.00 26.46 O ATOM 1049 N GLU A 130 -15.422 -5.287 17.438 1.00 25.44 N ATOM 1050 CA GLU A 130 -16.215 -4.241 18.059 1.00 22.00 C ATOM 1051 C GLU A 130 -15.453 -3.814 19.306 1.00 21.90 C ATOM 1052 O GLU A 130 -15.446 -2.657 19.668 1.00 22.19 O ATOM 1053 CB GLU A 130 -17.611 -4.768 18.449 1.00 21.83 C ATOM 1054 CG GLU A 130 -18.533 -5.038 17.255 1.00 22.23 C ATOM 1055 CD GLU A 130 -19.921 -5.500 17.658 1.00 23.06 C ATOM 1056 OE1 GLU A 130 -20.890 -4.732 17.440 1.00 37.97 O ATOM 1057 OE2 GLU A 130 -20.065 -6.619 18.171 1.00 34.10 O ATOM 1058 N GLU A 131 -14.791 -4.752 19.967 1.00 21.93 N ATOM 1059 CA GLU A 131 -14.051 -4.380 21.179 1.00 26.06 C ATOM 1060 C GLU A 131 -12.971 -3.349 20.879 1.00 24.95 C ATOM 1061 O GLU A 131 -12.845 -2.334 21.562 1.00 25.35 O ATOM 1062 CB GLU A 131 -13.411 -5.599 21.810 1.00 24.57 C ATOM 1063 CG GLU A 131 -12.950 -5.333 23.229 1.00 30.88 C ATOM 1064 CD GLU A 131 -12.716 -6.626 23.981 1.00 36.67 C ATOM 1065 OE1 GLU A 131 -12.857 -6.623 25.220 1.00 36.89 O ATOM 1066 OE2 GLU A 131 -12.400 -7.646 23.314 1.00 35.46 O ATOM 1067 N ALA A 132 -12.180 -3.635 19.855 1.00 23.52 N ATOM 1068 CA ALA A 132 -11.116 -2.732 19.427 1.00 21.26 C ATOM 1069 C ALA A 132 -11.658 -1.374 19.050 1.00 23.58 C ATOM 1070 O ALA A 132 -11.034 -0.368 19.344 1.00 23.98 O ATOM 1071 CB ALA A 132 -10.372 -3.341 18.227 1.00 22.24 C ATOM 1072 N LEU A 133 -12.824 -1.315 18.407 1.00 23.11 N ATOM 1073 CA LEU A 133 -13.364 -0.011 18.018 1.00 24.11 C ATOM 1074 C LEU A 133 -13.757 0.823 19.232 1.00 26.72 C ATOM 1075 O LEU A 133 -13.660 2.059 19.218 1.00 24.24 O ATOM 1076 CB LEU A 133 -14.581 -0.180 17.117 1.00 30.37 C ATOM 1077 CG LEU A 133 -14.420 -0.375 15.610 1.00 35.02 C ATOM 1078 CD1 LEU A 133 -13.715 0.803 14.970 1.00 33.25 C ATOM 1079 CD2 LEU A 133 -13.676 -1.630 15.369 1.00 37.77 C ATOM 1080 N ALA A 134 -14.200 0.138 20.278 1.00 24.31 N ATOM 1081 CA ALA A 134 -14.610 0.777 21.526 1.00 24.16 C ATOM 1082 C ALA A 134 -13.403 1.346 22.269 1.00 24.76 C ATOM 1083 O ALA A 134 -13.483 2.414 22.867 1.00 25.90 O ATOM 1084 CB ALA A 134 -15.338 -0.217 22.401 1.00 25.91 C ATOM 1085 N LEU A 135 -12.291 0.613 22.249 1.00 25.04 N ATOM 1086 CA LEU A 135 -11.040 1.059 22.887 1.00 21.63 C ATOM 1087 C LEU A 135 -10.348 2.226 22.167 1.00 27.06 C ATOM 1088 O LEU A 135 -9.780 3.125 22.802 1.00 23.68 O ATOM 1089 CB LEU A 135 -10.053 -0.112 22.961 1.00 22.24 C ATOM 1090 CG LEU A 135 -10.417 -1.147 24.028 1.00 23.19 C ATOM 1091 CD1 LEU A 135 -9.533 -2.413 23.898 1.00 25.20 C ATOM 1092 CD2 LEU A 135 -10.255 -0.480 25.410 1.00 20.72 C ATOM 1093 N ALA A 136 -10.390 2.213 20.836 1.00 23.26 N ATOM 1094 CA ALA A 136 -9.693 3.209 20.049 1.00 21.74 C ATOM 1095 C ALA A 136 -10.129 4.628 20.307 1.00 20.41 C ATOM 1096 O ALA A 136 -11.241 4.873 20.747 1.00 22.53 O ATOM 1097 CB ALA A 136 -9.825 2.884 18.541 1.00 22.88 C ATOM 1098 N ASP A 137 -9.215 5.546 20.030 1.00 22.65 N ATOM 1099 CA ASP A 137 -9.489 6.960 20.181 1.00 20.35 C ATOM 1100 C ASP A 137 -10.284 7.530 19.025 1.00 28.10 C ATOM 1101 O ASP A 137 -10.845 8.618 19.140 1.00 28.77 O ATOM 1102 CB ASP A 137 -8.188 7.726 20.376 1.00 22.48 C ATOM 1103 CG ASP A 137 -7.446 7.250 21.622 1.00 21.61 C ATOM 1104 OD1 ASP A 137 -8.101 7.070 22.672 1.00 27.11 O ATOM 1105 OD2 ASP A 137 -6.236 7.020 21.552 1.00 20.61 O ATOM 1106 N GLY A 138 -10.336 6.810 17.912 1.00 23.95 N ATOM 1107 CA GLY A 138 -11.092 7.263 16.757 1.00 27.57 C ATOM 1108 C GLY A 138 -10.991 6.208 15.672 1.00 26.55 C ATOM 1109 O GLY A 138 -10.177 5.285 15.822 1.00 21.53 O ATOM 1110 N ALA A 139 -11.818 6.308 14.622 1.00 26.34 N ATOM 1111 CA ALA A 139 -11.770 5.350 13.500 1.00 23.88 C ATOM 1112 C ALA A 139 -11.394 6.126 12.246 1.00 26.67 C ATOM 1113 O ALA A 139 -11.800 7.271 12.075 1.00 23.51 O ATOM 1114 CB ALA A 139 -13.114 4.671 13.313 1.00 25.91 C ATOM 1115 N ILE A 140 -10.586 5.533 11.371 1.00 25.23 N ATOM 1116 CA ILE A 140 -10.192 6.236 10.160 1.00 19.86 C ATOM 1117 C ILE A 140 -10.397 5.314 8.987 1.00 20.41 C ATOM 1118 O ILE A 140 -10.389 4.109 9.148 1.00 20.96 O ATOM 1119 CB ILE A 140 -8.715 6.732 10.183 1.00 21.42 C ATOM 1120 CG1 ILE A 140 -7.751 5.568 10.373 1.00 18.43 C ATOM 1121 CG2 ILE A 140 -8.491 7.720 11.346 1.00 24.05 C ATOM 1122 CD1 ILE A 140 -6.316 5.954 10.206 1.00 20.52 C ATOM 1123 N LYS A 141 -10.584 5.884 7.807 1.00 19.53 N ATOM 1124 CA LYS A 141 -10.835 5.070 6.616 1.00 21.25 C ATOM 1125 C LYS A 141 -10.122 5.580 5.372 1.00 22.18 C ATOM 1126 O LYS A 141 -9.832 6.769 5.231 1.00 21.88 O ATOM 1127 CB LYS A 141 -12.346 4.984 6.346 1.00 18.29 C ATOM 1128 CG LYS A 141 -12.686 4.178 5.089 1.00 25.03 C ATOM 1129 CD LYS A 141 -14.188 4.130 4.796 1.00 31.96 C ATOM 1130 CE LYS A 141 -14.412 3.263 3.559 1.00 32.16 C ATOM 1131 NZ LYS A 141 -15.837 2.933 3.380 1.00 36.22 N ATOM 1132 N ILE A 142 -9.817 4.662 4.464 1.00 15.69 N ATOM 1133 CA ILE A 142 -9.153 5.029 3.215 1.00 18.27 C ATOM 1134 C ILE A 142 -10.288 5.059 2.159 1.00 19.00 C ATOM 1135 O ILE A 142 -11.020 4.102 2.024 1.00 19.28 O ATOM 1136 CB ILE A 142 -8.073 3.973 2.789 1.00 17.62 C ATOM 1137 CG1 ILE A 142 -6.889 4.007 3.763 1.00 19.57 C ATOM 1138 CG2 ILE A 142 -7.540 4.293 1.389 1.00 17.60 C ATOM 1139 CD1 ILE A 142 -5.995 2.776 3.653 1.00 23.05 C ATOM 1140 N PRO A 143 -10.456 6.172 1.429 1.00 19.93 N ATOM 1141 CA PRO A 143 -11.527 6.257 0.406 1.00 21.30 C ATOM 1142 C PRO A 143 -11.500 5.111 -0.606 1.00 18.83 C ATOM 1143 O PRO A 143 -10.445 4.789 -1.181 1.00 16.98 O ATOM 1144 CB PRO A 143 -11.248 7.586 -0.287 1.00 24.45 C ATOM 1145 CG PRO A 143 -10.498 8.389 0.725 1.00 28.24 C ATOM 1146 CD PRO A 143 -9.608 7.379 1.416 1.00 27.65 C ATOM 1147 N MET A 144 -12.663 4.516 -0.843 1.00 21.80 N ATOM 1148 CA MET A 144 -12.775 3.414 -1.798 1.00 22.38 C ATOM 1149 C MET A 144 -13.709 3.949 -2.876 1.00 21.00 C ATOM 1150 O MET A 144 -14.891 4.159 -2.611 1.00 19.81 O ATOM 1151 CB MET A 144 -13.399 2.199 -1.123 1.00 22.28 C ATOM 1152 CG MET A 144 -12.613 1.653 0.098 1.00 24.43 C ATOM 1153 SD MET A 144 -11.080 0.901 -0.383 1.00 24.21 S ATOM 1154 CE MET A 144 -10.000 2.210 -0.051 1.00 44.73 C ATOM 1155 N LEU A 145 -13.184 4.147 -4.087 1.00 18.94 N ATOM 1156 CA LEU A 145 -13.965 4.724 -5.162 1.00 20.93 C ATOM 1157 C LEU A 145 -14.488 3.737 -6.180 1.00 21.33 C ATOM 1158 O LEU A 145 -14.993 4.152 -7.216 1.00 19.90 O ATOM 1159 CB LEU A 145 -13.127 5.809 -5.866 1.00 21.81 C ATOM 1160 CG LEU A 145 -12.499 6.813 -4.887 1.00 20.43 C ATOM 1161 CD1 LEU A 145 -11.614 7.762 -5.665 1.00 20.76 C ATOM 1162 CD2 LEU A 145 -13.592 7.589 -4.139 1.00 27.56 C ATOM 1163 N GLY A 146 -14.381 2.438 -5.880 1.00 18.40 N ATOM 1164 CA GLY A 146 -14.848 1.433 -6.816 1.00 17.85 C ATOM 1165 C GLY A 146 -15.960 0.555 -6.260 1.00 21.13 C ATOM 1166 O GLY A 146 -16.740 0.962 -5.386 1.00 22.36 O ATOM 1167 N MET A 147 -16.053 -0.651 -6.813 1.00 16.80 N ATOM 1168 CA MET A 147 -17.072 -1.583 -6.390 1.00 23.12 C ATOM 1169 C MET A 147 -16.731 -2.376 -5.120 1.00 20.60 C ATOM 1170 O MET A 147 -17.638 -2.758 -4.403 1.00 24.30 O ATOM 1171 CB MET A 147 -17.397 -2.574 -7.514 1.00 26.63 C ATOM 1172 CG MET A 147 -18.209 -1.988 -8.664 1.00 35.27 C ATOM 1173 SD MET A 147 -19.843 -1.446 -8.135 1.00 31.95 S ATOM 1174 CE MET A 147 -20.558 -3.020 -7.845 1.00 31.42 C ATOM 1175 N VAL A 148 -15.451 -2.626 -4.842 1.00 19.20 N ATOM 1176 CA VAL A 148 -15.140 -3.410 -3.653 1.00 23.81 C ATOM 1177 C VAL A 148 -15.198 -2.552 -2.411 1.00 23.47 C ATOM 1178 O VAL A 148 -15.010 -1.324 -2.453 1.00 26.99 O ATOM 1179 CB VAL A 148 -13.792 -4.158 -3.722 1.00 24.45 C ATOM 1180 CG1 VAL A 148 -13.761 -5.058 -4.978 1.00 29.57 C ATOM 1181 CG2 VAL A 148 -12.639 -3.181 -3.659 1.00 26.82 C ATOM 1182 N GLN A 149 -15.526 -3.227 -1.312 1.00 23.47 N ATOM 1183 CA GLN A 149 -15.726 -2.631 -0.002 1.00 26.91 C ATOM 1184 C GLN A 149 -14.465 -2.399 0.808 1.00 24.80 C ATOM 1185 O GLN A 149 -14.398 -1.475 1.619 1.00 23.89 O ATOM 1186 CB GLN A 149 -16.688 -3.536 0.788 1.00 35.71 C ATOM 1187 CG GLN A 149 -17.012 -4.892 0.073 1.00 47.73 C ATOM 1188 CD GLN A 149 -15.812 -5.858 -0.083 1.00 51.45 C ATOM 1189 OE1 GLN A 149 -15.578 -6.411 -1.168 1.00 48.93 O ATOM 1190 NE2 GLN A 149 -15.070 -6.077 1.007 1.00 53.88 N ATOM 1191 N SER A 150 -13.452 -3.218 0.583 1.00 19.15 N ATOM 1192 CA SER A 150 -12.211 -3.052 1.344 1.00 18.26 C ATOM 1193 C SER A 150 -10.960 -3.398 0.574 1.00 19.72 C ATOM 1194 O SER A 150 -11.004 -4.088 -0.475 1.00 18.33 O ATOM 1195 CB SER A 150 -12.259 -3.947 2.574 1.00 21.29 C ATOM 1196 OG SER A 150 -12.362 -5.270 2.107 1.00 21.25 O ATOM 1197 N LEU A 151 -9.827 -2.976 1.129 1.00 15.73 N ATOM 1198 CA LEU A 151 -8.520 -3.261 0.548 1.00 17.18 C ATOM 1199 C LEU A 151 -7.892 -4.441 1.307 1.00 18.22 C ATOM 1200 O LEU A 151 -8.346 -4.821 2.402 1.00 17.73 O ATOM 1201 CB LEU A 151 -7.569 -2.078 0.744 1.00 17.23 C ATOM 1202 CG LEU A 151 -7.905 -0.769 0.043 1.00 18.11 C ATOM 1203 CD1 LEU A 151 -7.103 0.344 0.711 1.00 19.39 C ATOM 1204 CD2 LEU A 151 -7.575 -0.903 -1.488 1.00 18.69 C ATOM 1205 N ASN A 152 -6.852 -5.013 0.715 1.00 22.32 N ATOM 1206 CA ASN A 152 -6.093 -6.088 1.389 1.00 22.38 C ATOM 1207 C ASN A 152 -5.519 -5.392 2.670 1.00 17.96 C ATOM 1208 O ASN A 152 -5.181 -4.215 2.623 1.00 18.08 O ATOM 1209 CB ASN A 152 -4.949 -6.562 0.497 1.00 23.13 C ATOM 1210 CG ASN A 152 -3.858 -7.239 1.297 1.00 29.64 C ATOM 1211 OD1 ASN A 152 -3.921 -8.441 1.573 1.00 30.08 O ATOM 1212 ND2 ASN A 152 -2.872 -6.460 1.716 1.00 20.05 N ATOM 1213 N VAL A 153 -5.429 -6.079 3.800 1.00 18.55 N ATOM 1214 CA VAL A 153 -4.975 -5.397 5.042 1.00 20.87 C ATOM 1215 C VAL A 153 -3.554 -4.822 4.971 1.00 19.53 C ATOM 1216 O VAL A 153 -3.278 -3.714 5.499 1.00 16.35 O ATOM 1217 CB VAL A 153 -5.149 -6.342 6.298 1.00 21.85 C ATOM 1218 CG1 VAL A 153 -4.310 -7.614 6.187 1.00 19.13 C ATOM 1219 CG2 VAL A 153 -4.750 -5.622 7.567 1.00 18.60 C ATOM 1220 N SER A 154 -2.641 -5.550 4.332 1.00 16.21 N ATOM 1221 CA SER A 154 -1.261 -5.104 4.176 1.00 17.66 C ATOM 1222 C SER A 154 -1.270 -3.863 3.298 1.00 19.61 C ATOM 1223 O SER A 154 -0.516 -2.906 3.508 1.00 18.37 O ATOM 1224 CB SER A 154 -0.415 -6.188 3.504 1.00 21.76 C ATOM 1225 OG SER A 154 0.881 -5.676 3.191 1.00 28.57 O ATOM 1226 N VAL A 155 -2.126 -3.876 2.275 1.00 18.10 N ATOM 1227 CA VAL A 155 -2.212 -2.715 1.436 1.00 18.44 C ATOM 1228 C VAL A 155 -2.725 -1.524 2.219 1.00 17.37 C ATOM 1229 O VAL A 155 -2.195 -0.395 2.066 1.00 17.63 O ATOM 1230 CB VAL A 155 -3.143 -2.975 0.256 1.00 18.70 C ATOM 1231 CG1 VAL A 155 -3.586 -1.678 -0.328 1.00 20.10 C ATOM 1232 CG2 VAL A 155 -2.392 -3.828 -0.783 1.00 21.55 C ATOM 1233 N ALA A 156 -3.765 -1.732 3.033 1.00 17.26 N ATOM 1234 CA ALA A 156 -4.311 -0.610 3.797 1.00 18.38 C ATOM 1235 C ALA A 156 -3.234 -0.085 4.729 1.00 17.09 C ATOM 1236 O ALA A 156 -3.081 1.125 4.917 1.00 17.37 O ATOM 1237 CB ALA A 156 -5.541 -1.027 4.604 1.00 19.05 C ATOM 1238 N ALA A 157 -2.510 -0.985 5.371 1.00 14.81 N ATOM 1239 CA ALA A 157 -1.447 -0.533 6.294 1.00 18.06 C ATOM 1240 C ALA A 157 -0.403 0.356 5.599 1.00 16.45 C ATOM 1241 O ALA A 157 0.099 1.327 6.194 1.00 18.74 O ATOM 1242 CB ALA A 157 -0.742 -1.746 6.915 1.00 19.34 C ATOM 1243 N ALA A 158 -0.042 0.001 4.368 1.00 17.47 N ATOM 1244 CA ALA A 158 0.969 0.747 3.610 1.00 15.99 C ATOM 1245 C ALA A 158 0.444 2.124 3.190 1.00 15.91 C ATOM 1246 O ALA A 158 1.176 3.119 3.238 1.00 18.12 O ATOM 1247 CB ALA A 158 1.358 -0.058 2.378 1.00 17.44 C ATOM 1248 N VAL A 159 -0.803 2.171 2.730 1.00 15.18 N ATOM 1249 CA VAL A 159 -1.400 3.476 2.318 1.00 15.93 C ATOM 1250 C VAL A 159 -1.371 4.443 3.493 1.00 17.29 C ATOM 1251 O VAL A 159 -0.947 5.594 3.362 1.00 16.36 O ATOM 1252 CB VAL A 159 -2.844 3.250 1.788 1.00 16.38 C ATOM 1253 CG1 VAL A 159 -3.607 4.578 1.572 1.00 20.86 C ATOM 1254 CG2 VAL A 159 -2.775 2.491 0.486 1.00 15.09 C ATOM 1255 N ILE A 160 -1.790 3.993 4.655 1.00 17.91 N ATOM 1256 CA ILE A 160 -1.751 4.846 5.840 1.00 16.44 C ATOM 1257 C ILE A 160 -0.302 5.136 6.322 1.00 15.19 C ATOM 1258 O ILE A 160 0.071 6.282 6.594 1.00 20.03 O ATOM 1259 CB ILE A 160 -2.592 4.189 6.974 1.00 16.57 C ATOM 1260 CG1 ILE A 160 -4.078 4.233 6.597 1.00 18.55 C ATOM 1261 CG2 ILE A 160 -2.394 4.930 8.304 1.00 16.47 C ATOM 1262 CD1 ILE A 160 -4.941 3.276 7.350 1.00 17.47 C ATOM 1263 N LEU A 161 0.549 4.119 6.444 1.00 16.83 N ATOM 1264 CA LEU A 161 1.907 4.384 6.922 1.00 17.23 C ATOM 1265 C LEU A 161 2.731 5.267 5.955 1.00 19.20 C ATOM 1266 O LEU A 161 3.604 6.028 6.400 1.00 16.60 O ATOM 1267 CB LEU A 161 2.630 3.053 7.186 1.00 17.78 C ATOM 1268 CG LEU A 161 2.194 2.356 8.479 1.00 20.35 C ATOM 1269 CD1 LEU A 161 2.819 0.985 8.475 1.00 18.14 C ATOM 1270 CD2 LEU A 161 2.641 3.131 9.707 1.00 19.91 C ATOM 1271 N PHE A 162 2.468 5.191 4.635 1.00 21.35 N ATOM 1272 CA PHE A 162 3.256 6.050 3.740 1.00 17.70 C ATOM 1273 C PHE A 162 2.705 7.478 3.747 1.00 16.81 C ATOM 1274 O PHE A 162 3.431 8.384 3.355 1.00 21.38 O ATOM 1275 CB PHE A 162 3.421 5.468 2.331 1.00 20.82 C ATOM 1276 CG PHE A 162 4.607 4.497 2.212 1.00 17.84 C ATOM 1277 CD1 PHE A 162 4.459 3.140 2.512 1.00 22.17 C ATOM 1278 CD2 PHE A 162 5.858 4.956 1.866 1.00 20.58 C ATOM 1279 CE1 PHE A 162 5.549 2.283 2.462 1.00 18.96 C ATOM 1280 CE2 PHE A 162 6.972 4.110 1.806 1.00 20.20 C ATOM 1281 CZ PHE A 162 6.809 2.762 2.107 1.00 16.03 C ATOM 1282 N GLU A 163 1.450 7.676 4.187 1.00 19.32 N ATOM 1283 CA GLU A 163 0.911 9.055 4.343 1.00 18.30 C ATOM 1284 C GLU A 163 1.652 9.548 5.617 1.00 19.82 C ATOM 1285 O GLU A 163 2.094 10.697 5.691 1.00 20.76 O ATOM 1286 CB GLU A 163 -0.645 9.061 4.518 1.00 19.99 C ATOM 1287 CG GLU A 163 -1.283 10.424 4.993 1.00 20.90 C ATOM 1288 CD GLU A 163 -0.833 11.614 4.175 1.00 28.88 C ATOM 1289 OE1 GLU A 163 -0.341 11.398 3.047 1.00 27.31 O ATOM 1290 OE2 GLU A 163 -0.950 12.776 4.658 1.00 28.84 O ATOM 1291 N ALA A 164 1.820 8.693 6.634 1.00 19.31 N ATOM 1292 CA ALA A 164 2.568 9.093 7.840 1.00 19.36 C ATOM 1293 C ALA A 164 4.021 9.399 7.449 1.00 20.52 C ATOM 1294 O ALA A 164 4.626 10.382 7.936 1.00 20.67 O ATOM 1295 CB ALA A 164 2.535 7.963 8.904 1.00 20.76 C ATOM 1296 N GLN A 165 4.594 8.575 6.555 1.00 16.74 N ATOM 1297 CA GLN A 165 5.955 8.794 6.123 1.00 17.83 C ATOM 1298 C GLN A 165 6.044 10.137 5.393 1.00 20.07 C ATOM 1299 O GLN A 165 7.001 10.879 5.560 1.00 23.37 O ATOM 1300 CB GLN A 165 6.441 7.695 5.159 1.00 16.69 C ATOM 1301 CG GLN A 165 7.946 7.755 4.911 1.00 19.02 C ATOM 1302 CD GLN A 165 8.386 7.160 3.573 1.00 21.93 C ATOM 1303 OE1 GLN A 165 7.910 7.566 2.514 1.00 21.09 O ATOM 1304 NE2 GLN A 165 9.292 6.175 3.617 1.00 21.47 N ATOM 1305 N ARG A 166 5.044 10.443 4.586 1.00 23.83 N ATOM 1306 CA ARG A 166 5.049 11.708 3.831 1.00 23.90 C ATOM 1307 C ARG A 166 5.063 12.893 4.801 1.00 27.65 C ATOM 1308 O ARG A 166 5.922 13.799 4.703 1.00 25.25 O ATOM 1309 CB ARG A 166 3.806 11.767 2.930 1.00 29.47 C ATOM 1310 CG ARG A 166 3.647 13.039 2.093 1.00 33.52 C ATOM 1311 CD ARG A 166 2.176 13.288 1.768 1.00 43.69 C ATOM 1312 NE ARG A 166 1.902 14.721 1.758 1.00 47.97 N ATOM 1313 CZ ARG A 166 1.566 15.430 2.833 1.00 50.78 C ATOM 1314 NH1 ARG A 166 1.438 14.843 4.009 1.00 49.62 N ATOM 1315 NH2 ARG A 166 1.398 16.744 2.739 1.00 54.68 N ATOM 1316 N GLN A 167 4.121 12.878 5.752 1.00 25.58 N ATOM 1317 CA GLN A 167 3.997 13.963 6.746 1.00 25.34 C ATOM 1318 C GLN A 167 5.243 14.129 7.614 1.00 26.65 C ATOM 1319 O GLN A 167 5.707 15.249 7.876 1.00 25.98 O ATOM 1320 CB GLN A 167 2.788 13.728 7.653 1.00 24.31 C ATOM 1321 CG GLN A 167 1.421 13.841 6.962 1.00 26.50 C ATOM 1322 CD GLN A 167 0.277 13.721 7.940 1.00 20.46 C ATOM 1323 OE1 GLN A 167 0.496 13.737 9.156 1.00 26.92 O ATOM 1324 NE2 GLN A 167 -0.955 13.627 7.430 1.00 22.68 N ATOM 1325 N ARG A 168 5.800 13.022 8.086 1.00 20.46 N ATOM 1326 CA ARG A 168 6.981 13.132 8.921 1.00 22.30 C ATOM 1327 C ARG A 168 8.203 13.605 8.122 1.00 21.79 C ATOM 1328 O ARG A 168 9.027 14.285 8.673 1.00 26.31 O ATOM 1329 CB ARG A 168 7.245 11.799 9.670 1.00 17.88 C ATOM 1330 CG ARG A 168 6.200 11.567 10.749 1.00 17.70 C ATOM 1331 CD ARG A 168 6.498 10.280 11.623 1.00 19.99 C ATOM 1332 NE ARG A 168 5.499 10.179 12.700 1.00 17.48 N ATOM 1333 CZ ARG A 168 5.784 9.908 13.969 1.00 16.66 C ATOM 1334 NH1 ARG A 168 7.036 9.678 14.356 1.00 19.51 N ATOM 1335 NH2 ARG A 168 4.833 9.926 14.870 1.00 18.85 N ATOM 1336 N LEU A 169 8.310 13.252 6.843 1.00 19.01 N ATOM 1337 CA LEU A 169 9.429 13.704 6.005 1.00 29.31 C ATOM 1338 C LEU A 169 9.357 15.249 5.891 1.00 28.09 C ATOM 1339 O LEU A 169 10.360 15.949 6.058 1.00 31.90 O ATOM 1340 CB LEU A 169 9.296 13.046 4.628 1.00 28.37 C ATOM 1341 CG LEU A 169 10.331 12.160 3.908 1.00 32.62 C ATOM 1342 CD1 LEU A 169 11.492 11.743 4.756 1.00 28.84 C ATOM 1343 CD2 LEU A 169 9.580 10.975 3.291 1.00 21.62 C ATOM 1344 N LYS A 170 8.156 15.762 5.651 1.00 30.84 N ATOM 1345 CA LYS A 170 7.927 17.212 5.530 1.00 32.17 C ATOM 1346 C LYS A 170 8.202 17.920 6.841 1.00 35.56 C ATOM 1347 O LYS A 170 8.879 18.951 6.881 1.00 35.01 O ATOM 1348 CB LYS A 170 6.480 17.487 5.125 1.00 36.56 C ATOM 1349 CG LYS A 170 6.111 16.967 3.745 1.00 51.43 C ATOM 1350 CD LYS A 170 4.673 17.342 3.358 1.00 55.95 C ATOM 1351 CE LYS A 170 4.459 18.858 3.294 1.00 59.07 C ATOM 1352 NZ LYS A 170 4.565 19.548 4.614 1.00 59.99 N ATOM 1353 N ALA A 171 7.682 17.357 7.923 1.00 30.10 N ATOM 1354 CA ALA A 171 7.858 17.934 9.242 1.00 29.54 C ATOM 1355 C ALA A 171 9.310 17.840 9.694 1.00 32.83 C ATOM 1356 O ALA A 171 9.670 18.422 10.712 1.00 32.36 O ATOM 1357 CB ALA A 171 6.949 17.229 10.235 1.00 37.79 C ATOM 1358 N GLY A 172 10.123 17.092 8.943 1.00 28.11 N ATOM 1359 CA GLY A 172 11.535 16.928 9.262 1.00 29.88 C ATOM 1360 C GLY A 172 11.898 15.946 10.378 1.00 28.73 C ATOM 1361 O GLY A 172 13.034 15.958 10.877 1.00 27.23 O ATOM 1362 N LEU A 173 10.958 15.074 10.740 1.00 26.10 N ATOM 1363 CA LEU A 173 11.180 14.101 11.814 1.00 27.73 C ATOM 1364 C LEU A 173 12.278 13.080 11.544 1.00 24.75 C ATOM 1365 O LEU A 173 12.946 12.599 12.478 1.00 25.14 O ATOM 1366 CB LEU A 173 9.860 13.401 12.178 1.00 29.30 C ATOM 1367 CG LEU A 173 8.772 14.340 12.747 1.00 30.55 C ATOM 1368 CD1 LEU A 173 7.755 13.551 13.577 1.00 27.95 C ATOM 1369 CD2 LEU A 173 9.414 15.396 13.612 1.00 36.69 C ATOM 1370 N TYR A 174 12.500 12.770 10.274 1.00 24.61 N ATOM 1371 CA TYR A 174 13.539 11.834 9.915 1.00 23.40 C ATOM 1372 C TYR A 174 14.906 12.496 9.810 1.00 25.02 C ATOM 1373 O TYR A 174 15.910 11.804 9.697 1.00 23.20 O ATOM 1374 CB TYR A 174 13.194 11.160 8.569 1.00 21.86 C ATOM 1375 CG TYR A 174 11.928 10.317 8.592 1.00 24.89 C ATOM 1376 CD1 TYR A 174 10.773 10.718 7.903 1.00 19.32 C ATOM 1377 CD2 TYR A 174 11.918 9.072 9.230 1.00 21.03 C ATOM 1378 CE1 TYR A 174 9.631 9.895 7.840 1.00 19.61 C ATOM 1379 CE2 TYR A 174 10.807 8.253 9.173 1.00 21.34 C ATOM 1380 CZ TYR A 174 9.662 8.659 8.479 1.00 23.05 C ATOM 1381 OH TYR A 174 8.545 7.847 8.455 1.00 21.59 O ATOM 1382 N ASP A 175 14.959 13.839 9.870 1.00 25.61 N ATOM 1383 CA ASP A 175 16.236 14.558 9.731 1.00 25.74 C ATOM 1384 C ASP A 175 17.191 14.480 10.931 1.00 25.70 C ATOM 1385 O ASP A 175 18.372 14.735 10.784 1.00 28.35 O ATOM 1386 CB ASP A 175 15.987 16.038 9.389 1.00 28.00 C ATOM 1387 CG ASP A 175 15.254 16.215 8.088 1.00 33.33 C ATOM 1388 OD1 ASP A 175 15.300 15.297 7.255 1.00 38.00 O ATOM 1389 OD2 ASP A 175 14.636 17.277 7.886 1.00 40.60 O ATOM 1390 N ARG A 176 16.683 14.124 12.108 1.00 25.99 N ATOM 1391 CA ARG A 176 17.535 13.982 13.293 1.00 29.19 C ATOM 1392 C ARG A 176 17.032 12.761 14.054 1.00 27.85 C ATOM 1393 O ARG A 176 15.847 12.387 13.942 1.00 24.50 O ATOM 1394 CB ARG A 176 17.444 15.203 14.212 1.00 27.11 C ATOM 1395 CG ARG A 176 16.142 15.304 15.012 1.00 32.05 C ATOM 1396 CD ARG A 176 15.212 16.374 14.450 1.00 40.06 C ATOM 1397 NE ARG A 176 13.980 16.514 15.230 1.00 35.55 N ATOM 1398 CZ ARG A 176 12.932 17.254 14.862 1.00 42.63 C ATOM 1399 NH1 ARG A 176 12.954 17.939 13.719 1.00 41.62 N ATOM 1400 NH2 ARG A 176 11.844 17.298 15.628 1.00 37.23 N ATOM 1401 N PRO A 177 17.908 12.147 14.857 1.00 27.62 N ATOM 1402 CA PRO A 177 17.587 10.965 15.650 1.00 25.80 C ATOM 1403 C PRO A 177 16.441 11.253 16.590 1.00 29.62 C ATOM 1404 O PRO A 177 16.262 12.404 17.020 1.00 27.24 O ATOM 1405 CB PRO A 177 18.881 10.713 16.425 1.00 27.20 C ATOM 1406 CG PRO A 177 19.902 11.222 15.562 1.00 29.47 C ATOM 1407 CD PRO A 177 19.331 12.504 15.032 1.00 28.12 C ATOM 1408 N ARG A 178 15.648 10.237 16.905 1.00 22.64 N ATOM 1409 CA ARG A 178 14.574 10.438 17.847 1.00 24.68 C ATOM 1410 C ARG A 178 14.494 9.284 18.868 1.00 28.29 C ATOM 1411 O ARG A 178 13.432 8.957 19.380 1.00 29.39 O ATOM 1412 CB ARG A 178 13.253 10.671 17.089 1.00 26.42 C ATOM 1413 CG ARG A 178 13.319 11.953 16.214 1.00 37.13 C ATOM 1414 CD ARG A 178 12.002 12.283 15.509 1.00 39.53 C ATOM 1415 NE ARG A 178 10.976 12.635 16.479 1.00 38.49 N ATOM 1416 CZ ARG A 178 9.989 11.827 16.840 1.00 28.93 C ATOM 1417 NH1 ARG A 178 9.893 10.631 16.309 1.00 34.34 N ATOM 1418 NH2 ARG A 178 9.107 12.232 17.726 1.00 35.50 N ATOM 1419 N LEU A 179 15.641 8.667 19.149 1.00 30.99 N ATOM 1420 CA LEU A 179 15.724 7.589 20.134 1.00 30.87 C ATOM 1421 C LEU A 179 16.657 8.083 21.255 1.00 32.89 C ATOM 1422 O LEU A 179 17.686 8.711 20.968 1.00 34.65 O ATOM 1423 CB LEU A 179 16.323 6.320 19.513 1.00 27.83 C ATOM 1424 CG LEU A 179 15.583 5.640 18.348 1.00 32.52 C ATOM 1425 CD1 LEU A 179 16.375 4.433 17.876 1.00 27.95 C ATOM 1426 CD2 LEU A 179 14.188 5.206 18.791 1.00 28.08 C ATOM 1427 N ASP A 180 16.305 7.829 22.520 1.00 34.45 N ATOM 1428 CA ASP A 180 17.181 8.268 23.609 1.00 32.59 C ATOM 1429 C ASP A 180 18.486 7.481 23.476 1.00 34.46 C ATOM 1430 O ASP A 180 18.522 6.433 22.817 1.00 33.05 O ATOM 1431 CB ASP A 180 16.532 8.033 24.981 1.00 32.10 C ATOM 1432 CG ASP A 180 16.234 6.572 25.256 1.00 36.57 C ATOM 1433 OD1 ASP A 180 15.072 6.146 25.109 1.00 37.56 O ATOM 1434 OD2 ASP A 180 17.162 5.838 25.628 1.00 41.40 O ATOM 1435 N PRO A 181 19.578 7.962 24.108 1.00 33.71 N ATOM 1436 CA PRO A 181 20.854 7.245 23.993 1.00 35.42 C ATOM 1437 C PRO A 181 20.861 5.757 24.360 1.00 33.26 C ATOM 1438 O PRO A 181 21.474 4.955 23.662 1.00 36.06 O ATOM 1439 CB PRO A 181 21.806 8.088 24.861 1.00 36.97 C ATOM 1440 CG PRO A 181 21.295 9.493 24.609 1.00 32.83 C ATOM 1441 CD PRO A 181 19.765 9.287 24.734 1.00 33.14 C ATOM 1442 N GLU A 182 20.182 5.382 25.439 1.00 37.36 N ATOM 1443 CA GLU A 182 20.179 3.972 25.839 1.00 35.74 C ATOM 1444 C GLU A 182 19.444 3.078 24.831 1.00 37.09 C ATOM 1445 O GLU A 182 19.943 2.001 24.445 1.00 35.86 O ATOM 1446 CB GLU A 182 19.585 3.796 27.249 1.00 36.61 C ATOM 1447 CG GLU A 182 19.504 2.311 27.632 1.00 40.10 C ATOM 1448 CD GLU A 182 19.113 2.032 29.087 1.00 46.74 C ATOM 1449 OE1 GLU A 182 18.358 2.824 29.686 1.00 46.93 O ATOM 1450 OE2 GLU A 182 19.549 0.982 29.618 1.00 47.96 O ATOM 1451 N LEU A 183 18.256 3.510 24.414 1.00 31.28 N ATOM 1452 CA LEU A 183 17.492 2.756 23.433 1.00 30.06 C ATOM 1453 C LEU A 183 18.303 2.654 22.138 1.00 27.92 C ATOM 1454 O LEU A 183 18.448 1.567 21.553 1.00 29.09 O ATOM 1455 CB LEU A 183 16.147 3.468 23.166 1.00 29.61 C ATOM 1456 CG LEU A 183 15.215 2.843 22.132 1.00 30.26 C ATOM 1457 CD1 LEU A 183 15.004 1.361 22.413 1.00 25.84 C ATOM 1458 CD2 LEU A 183 13.881 3.588 22.177 1.00 28.26 C ATOM 1459 N TYR A 184 18.834 3.788 21.693 1.00 27.69 N ATOM 1460 CA TYR A 184 19.629 3.836 20.478 1.00 30.92 C ATOM 1461 C TYR A 184 20.786 2.857 20.548 1.00 31.67 C ATOM 1462 O TYR A 184 20.886 1.943 19.745 1.00 28.22 O ATOM 1463 CB TYR A 184 20.178 5.244 20.253 1.00 34.31 C ATOM 1464 CG TYR A 184 21.012 5.376 18.998 1.00 35.39 C ATOM 1465 CD1 TYR A 184 20.413 5.691 17.763 1.00 37.70 C ATOM 1466 CD2 TYR A 184 22.389 5.157 19.026 1.00 34.63 C ATOM 1467 CE1 TYR A 184 21.172 5.780 16.590 1.00 38.74 C ATOM 1468 CE2 TYR A 184 23.164 5.239 17.855 1.00 36.84 C ATOM 1469 CZ TYR A 184 22.548 5.549 16.642 1.00 41.10 C ATOM 1470 OH TYR A 184 23.296 5.603 15.486 1.00 41.00 O ATOM 1471 N GLN A 185 21.642 3.015 21.554 1.00 33.64 N ATOM 1472 CA GLN A 185 22.803 2.140 21.667 1.00 32.84 C ATOM 1473 C GLN A 185 22.391 0.654 21.764 1.00 32.49 C ATOM 1474 O GLN A 185 23.054 -0.226 21.209 1.00 34.69 O ATOM 1475 CB GLN A 185 23.678 2.616 22.849 1.00 35.07 C ATOM 1476 CG GLN A 185 24.195 4.088 22.686 1.00 34.16 C ATOM 1477 CD GLN A 185 25.070 4.300 21.446 1.00 40.10 C ATOM 1478 OE1 GLN A 185 25.622 3.349 20.885 1.00 35.53 O ATOM 1479 NE2 GLN A 185 25.218 5.565 21.024 1.00 40.38 N ATOM 1480 N LYS A 186 21.267 0.393 22.415 1.00 32.10 N ATOM 1481 CA LYS A 186 20.726 -0.958 22.564 1.00 31.31 C ATOM 1482 C LYS A 186 20.242 -1.600 21.254 1.00 36.74 C ATOM 1483 O LYS A 186 20.435 -2.800 21.018 1.00 30.48 O ATOM 1484 CB LYS A 186 19.578 -0.905 23.563 1.00 39.12 C ATOM 1485 CG LYS A 186 18.855 -2.206 23.822 1.00 40.75 C ATOM 1486 CD LYS A 186 17.763 -1.989 24.863 1.00 44.67 C ATOM 1487 CE LYS A 186 17.178 -3.302 25.368 1.00 47.82 C ATOM 1488 NZ LYS A 186 16.139 -3.033 26.406 1.00 52.04 N ATOM 1489 N VAL A 187 19.572 -0.829 20.407 1.00 34.41 N ATOM 1490 CA VAL A 187 19.131 -1.405 19.137 1.00 33.10 C ATOM 1491 C VAL A 187 20.356 -1.479 18.220 1.00 34.00 C ATOM 1492 O VAL A 187 20.517 -2.431 17.449 1.00 31.18 O ATOM 1493 CB VAL A 187 18.026 -0.550 18.452 1.00 30.58 C ATOM 1494 CG1 VAL A 187 17.542 -1.263 17.193 1.00 28.10 C ATOM 1495 CG2 VAL A 187 16.865 -0.328 19.416 1.00 25.72 C ATOM 1496 N LEU A 188 21.222 -0.469 18.307 1.00 32.85 N ATOM 1497 CA LEU A 188 22.425 -0.462 17.490 1.00 34.62 C ATOM 1498 C LEU A 188 23.136 -1.786 17.754 1.00 35.30 C ATOM 1499 O LEU A 188 23.631 -2.434 16.840 1.00 35.76 O ATOM 1500 CB LEU A 188 23.323 0.728 17.870 1.00 33.68 C ATOM 1501 CG LEU A 188 24.650 0.824 17.097 1.00 39.21 C ATOM 1502 CD1 LEU A 188 24.369 0.692 15.617 1.00 35.67 C ATOM 1503 CD2 LEU A 188 25.358 2.159 17.385 1.00 40.88 C ATOM 1504 N ALA A 189 23.147 -2.189 19.018 1.00 40.84 N ATOM 1505 CA ALA A 189 23.781 -3.438 19.434 1.00 46.85 C ATOM 1506 C ALA A 189 23.241 -4.703 18.748 1.00 49.00 C ATOM 1507 O ALA A 189 24.022 -5.567 18.321 1.00 46.40 O ATOM 1508 CB ALA A 189 23.676 -3.575 20.940 1.00 44.71 C ATOM 1509 N ASP A 190 21.919 -4.830 18.637 1.00 50.41 N ATOM 1510 CA ASP A 190 21.341 -6.017 18.003 1.00 48.75 C ATOM 1511 C ASP A 190 21.589 -6.022 16.506 1.00 47.29 C ATOM 1512 O ASP A 190 22.130 -6.981 15.962 1.00 47.25 O ATOM 1513 CB ASP A 190 19.836 -6.100 18.259 1.00 55.64 C ATOM 1514 CG ASP A 190 19.503 -6.115 19.724 1.00 60.62 C ATOM 1515 OD1 ASP A 190 20.011 -5.222 20.438 1.00 63.97 O ATOM 1516 OD2 ASP A 190 18.737 -7.006 20.161 1.00 62.93 O ATOM 1517 N TRP A 191 21.202 -4.952 15.826 1.00 42.51 N ATOM 1518 CA TRP A 191 21.415 -4.913 14.390 1.00 41.60 C ATOM 1519 C TRP A 191 22.881 -5.227 14.073 1.00 42.27 C ATOM 1520 O TRP A 191 23.718 -5.120 14.996 1.00 43.61 O ATOM 1521 CB TRP A 191 21.038 -3.542 13.857 1.00 37.77 C ATOM 1522 CG TRP A 191 19.565 -3.248 13.943 1.00 31.49 C ATOM 1523 CD1 TRP A 191 18.603 -3.974 14.597 1.00 30.46 C ATOM 1524 CD2 TRP A 191 18.896 -2.146 13.336 1.00 29.32 C ATOM 1525 NE1 TRP A 191 17.366 -3.382 14.425 1.00 28.15 N ATOM 1526 CE2 TRP A 191 17.527 -2.256 13.655 1.00 25.79 C ATOM 1527 CE3 TRP A 191 19.328 -1.065 12.547 1.00 30.90 C ATOM 1528 CZ2 TRP A 191 16.574 -1.320 13.212 1.00 27.00 C ATOM 1529 CZ3 TRP A 191 18.394 -0.144 12.110 1.00 29.68 C ATOM 1530 CH2 TRP A 191 17.027 -0.278 12.445 1.00 26.24 C TER 1531 TRP A 191 HETATM 1532 P PO4 A 201 -5.778 -11.367 2.016 1.00 37.19 P HETATM 1533 O1 PO4 A 201 -6.797 -12.413 1.765 1.00 46.69 O HETATM 1534 O2 PO4 A 201 -5.928 -10.298 1.017 1.00 43.43 O HETATM 1535 O3 PO4 A 201 -5.949 -10.805 3.358 1.00 42.02 O HETATM 1536 O4 PO4 A 201 -4.431 -11.967 1.917 1.00 50.00 O HETATM 1537 P PO4 A 202 -6.893 -17.087 14.612 1.00113.40 P HETATM 1538 O1 PO4 A 202 -6.705 -15.707 14.094 1.00110.86 O HETATM 1539 O2 PO4 A 202 -7.158 -17.038 16.072 1.00113.75 O HETATM 1540 O3 PO4 A 202 -8.044 -17.724 13.920 1.00113.37 O HETATM 1541 O4 PO4 A 202 -5.665 -17.883 14.361 1.00113.84 O HETATM 1542 N SAM A 400 -14.508 -8.317 6.488 1.00 59.15 N HETATM 1543 CA SAM A 400 -14.010 -6.916 6.912 1.00 57.36 C HETATM 1544 C SAM A 400 -14.988 -5.945 6.430 1.00 59.71 C HETATM 1545 O SAM A 400 -15.613 -6.293 5.363 1.00 58.18 O HETATM 1546 OXT SAM A 400 -15.141 -4.864 7.110 1.00 57.35 O HETATM 1547 CB SAM A 400 -12.693 -6.716 6.290 1.00 49.97 C HETATM 1548 CG SAM A 400 -11.760 -5.584 6.389 1.00 37.79 C HETATM 1549 SD SAM A 400 -10.260 -5.801 5.394 1.00 23.64 S HETATM 1550 CE SAM A 400 -10.396 -7.353 4.507 1.00 41.78 C HETATM 1551 C5' SAM A 400 -8.683 -6.022 6.677 1.00 34.83 C HETATM 1552 C4' SAM A 400 -8.599 -5.251 7.114 1.00 36.00 C HETATM 1553 O4' SAM A 400 -8.641 -4.184 6.135 1.00 44.79 O HETATM 1554 C3' SAM A 400 -8.360 -4.585 8.457 1.00 44.96 C HETATM 1555 O3' SAM A 400 -7.028 -4.906 8.952 1.00 53.20 O HETATM 1556 C2' SAM A 400 -8.566 -3.126 8.143 1.00 35.92 C HETATM 1557 O2' SAM A 400 -7.686 -2.441 8.950 1.00 23.10 O HETATM 1558 C1' SAM A 400 -8.564 -2.909 6.620 1.00 38.30 C HETATM 1559 N9 SAM A 400 -8.833 -1.891 5.751 1.00 19.13 N HETATM 1560 C8 SAM A 400 -9.196 -2.382 4.470 1.00 19.56 C HETATM 1561 N7 SAM A 400 -9.565 -1.492 3.654 1.00 20.17 N HETATM 1562 C5 SAM A 400 -9.464 -0.362 4.388 1.00 19.81 C HETATM 1563 C6 SAM A 400 -9.822 1.016 4.012 1.00 23.27 C HETATM 1564 N6 SAM A 400 -10.329 1.311 2.838 1.00 23.33 N HETATM 1565 N1 SAM A 400 -9.603 1.934 4.993 1.00 21.68 N HETATM 1566 C2 SAM A 400 -9.089 1.624 6.258 1.00 29.46 C HETATM 1567 N3 SAM A 400 -8.766 0.358 6.674 1.00 22.37 N HETATM 1568 C4 SAM A 400 -8.965 -0.569 5.716 1.00 26.16 C HETATM 1569 O HOH A 401 -14.720 3.692 -9.971 1.00 17.01 O HETATM 1570 O HOH A 402 13.344 -1.432 14.327 1.00 20.59 O HETATM 1571 O HOH A 403 7.855 2.301 16.800 1.00 18.82 O HETATM 1572 O HOH A 404 -9.902 -8.159 14.116 1.00 22.27 O HETATM 1573 O HOH A 405 -2.367 -10.193 14.679 1.00 23.67 O HETATM 1574 O HOH A 406 -13.549 0.416 -4.188 1.00 20.67 O HETATM 1575 O HOH A 407 -17.114 3.312 -4.392 1.00 24.36 O HETATM 1576 O HOH A 408 -4.273 -14.988 13.746 1.00 27.39 O HETATM 1577 O HOH A 409 -11.594 -2.715 10.209 1.00 26.93 O HETATM 1578 O HOH A 410 5.872 -4.168 2.085 1.00 21.59 O HETATM 1579 O HOH A 411 8.899 -14.414 4.972 1.00 29.12 O HETATM 1580 O HOH A 412 20.663 -9.504 17.881 1.00 78.57 O HETATM 1581 O HOH A 413 1.255 7.029 31.356 1.00 34.81 O HETATM 1582 O HOH A 414 0.769 -19.363 15.525 1.00 30.87 O HETATM 1583 O HOH A 415 -1.938 -12.657 21.530 1.00 28.28 O HETATM 1584 O HOH A 416 2.050 -3.293 4.421 1.00 15.98 O HETATM 1585 O HOH A 417 1.023 -6.956 0.685 1.00 27.34 O HETATM 1586 O HOH A 418 14.512 10.252 12.806 1.00 26.82 O HETATM 1587 O HOH A 419 -6.895 -8.488 4.005 1.00 24.34 O HETATM 1588 O HOH A 420 17.962 11.103 11.259 1.00 26.54 O HETATM 1589 O HOH A 421 12.388 14.398 7.697 1.00 28.91 O HETATM 1590 O HOH A 422 15.762 7.786 15.515 1.00 28.88 O HETATM 1591 O HOH A 423 -15.001 4.945 0.829 1.00 29.25 O HETATM 1592 O HOH A 424 -2.162 11.419 15.584 1.00 28.24 O HETATM 1593 O HOH A 425 23.890 -9.295 9.835 1.00 36.33 O HETATM 1594 O HOH A 426 -0.195 7.199 1.182 1.00 31.01 O HETATM 1595 O HOH A 427 -17.629 -0.723 19.178 1.00 30.20 O HETATM 1596 O HOH A 428 -2.474 18.613 14.721 1.00 45.17 O HETATM 1597 O HOH A 429 13.741 -3.087 22.029 1.00 45.27 O HETATM 1598 O HOH A 430 6.281 -10.455 22.137 1.00 27.76 O HETATM 1599 O HOH A 431 0.424 -16.239 3.966 1.00 29.20 O HETATM 1600 O HOH A 432 6.113 0.684 20.412 1.00 34.17 O HETATM 1601 O HOH A 433 10.652 -8.078 21.898 1.00 55.38 O HETATM 1602 O HOH A 434 -9.066 -1.582 28.862 1.00 29.08 O HETATM 1603 O HOH A 435 25.871 -4.826 14.247 1.00 44.68 O HETATM 1604 O HOH A 436 1.546 -5.904 27.247 1.00 28.33 O HETATM 1605 O HOH A 437 -7.479 1.135 27.081 1.00 36.44 O HETATM 1606 O HOH A 438 -22.621 -7.518 18.551 1.00 37.49 O HETATM 1607 O HOH A 439 36.192 -0.010 3.495 1.00 44.80 O HETATM 1608 O HOH A 440 0.251 9.737 1.337 1.00 27.00 O HETATM 1609 O HOH A 441 5.455 12.904 17.922 1.00 29.52 O HETATM 1610 O HOH A 442 -9.185 -9.083 2.809 1.00 63.73 O HETATM 1611 O HOH A 443 12.160 -1.420 21.256 1.00 43.75 O HETATM 1612 O HOH A 444 40.215 -3.275 4.482 1.00 48.04 O HETATM 1613 O HOH A 445 34.070 -7.943 14.199 1.00 33.78 O HETATM 1614 O HOH A 446 18.045 -8.877 14.952 1.00 47.29 O HETATM 1615 O HOH A 447 -14.161 8.547 5.294 1.00 45.15 O HETATM 1616 O HOH A 448 23.770 12.106 17.616 1.00 56.97 O HETATM 1617 O HOH A 449 -15.074 5.327 16.176 1.00 51.21 O HETATM 1618 O HOH A 450 -13.695 -8.251 3.272 1.00 62.93 O HETATM 1619 O HOH A 451 29.956 -3.778 11.805 1.00 51.97 O HETATM 1620 O HOH A 452 21.044 -4.990 22.972 1.00 41.76 O HETATM 1621 O HOH A 453 -2.784 9.212 0.209 1.00 63.51 O HETATM 1622 O HOH A 454 11.075 6.207 23.300 1.00 34.03 O HETATM 1623 O HOH A 455 3.743 17.591 16.054 1.00 47.50 O HETATM 1624 O HOH A 456 8.114 -17.915 10.783 1.00 42.19 O HETATM 1625 O HOH A 457 -16.999 -7.161 13.936 1.00 88.08 O HETATM 1626 O HOH A 458 -7.998 -13.711 11.519 1.00 35.80 O HETATM 1627 O HOH A 459 -16.179 0.349 1.744 1.00 34.77 O HETATM 1628 O HOH A 460 -13.089 12.737 7.102 1.00 33.90 O HETATM 1629 O HOH A 461 -12.323 11.383 -0.789 1.00 53.52 O HETATM 1630 O HOH A 462 10.585 20.890 15.487 1.00 56.39 O HETATM 1631 O HOH A 463 10.126 -6.641 27.054 1.00 43.10 O HETATM 1632 O HOH A 464 -9.264 -11.397 2.341 1.00 52.73 O HETATM 1633 O HOH A 465 -24.346 5.067 4.533 1.00 48.80 O HETATM 1634 O HOH A 466 8.175 -1.254 31.550 1.00 51.48 O HETATM 1635 O HOH A 467 4.553 -1.577 30.487 1.00 46.77 O HETATM 1636 O HOH A 468 10.481 -9.204 14.538 1.00 32.41 O HETATM 1637 O HOH A 469 28.753 6.985 -0.964 1.00 56.12 O HETATM 1638 O HOH A 470 -14.260 4.741 20.307 1.00 35.96 O HETATM 1639 O HOH A 471 10.635 -9.010 17.979 1.00 30.99 O HETATM 1640 O HOH A 472 8.986 -2.852 27.994 1.00 41.07 O HETATM 1641 O HOH A 473 -17.528 -2.674 8.063 1.00 50.54 O HETATM 1642 O HOH A 474 25.659 0.530 21.226 1.00 35.37 O HETATM 1643 O HOH A 475 -12.556 -8.572 26.812 1.00 32.01 O HETATM 1644 O HOH A 476 42.550 -4.211 7.937 1.00 43.54 O HETATM 1645 O HOH A 477 -15.403 -7.708 19.893 1.00 39.78 O HETATM 1646 O HOH A 478 16.062 1.109 26.336 1.00 42.85 O HETATM 1647 O HOH A 479 23.759 7.740 21.948 1.00 65.90 O HETATM 1648 O HOH A 480 8.827 18.496 14.697 1.00 55.79 O HETATM 1649 O HOH A 481 24.084 -5.673 8.191 1.00 45.10 O HETATM 1650 O HOH A 482 -16.954 9.848 14.118 1.00 64.07 O HETATM 1651 O HOH A 483 18.568 5.035 30.330 1.00 38.70 O HETATM 1652 O HOH A 484 -3.373 15.796 7.536 1.00 43.11 O HETATM 1653 O HOH A 485 -18.152 -5.109 -3.599 1.00 54.09 O HETATM 1654 O HOH A 486 -16.587 -7.567 16.708 1.00 37.03 O HETATM 1655 O HOH A 487 13.365 -10.921 0.462 1.00 58.46 O HETATM 1656 O HOH A 488 6.936 11.694 20.947 1.00 36.20 O HETATM 1657 O HOH A 489 20.662 12.146 11.363 1.00 38.19 O HETATM 1658 O HOH A 490 41.528 -1.876 6.434 1.00 66.02 O HETATM 1659 O HOH A 491 1.283 -1.916 30.594 1.00 47.00 O HETATM 1660 O HOH A 492 11.364 -4.602 27.123 1.00 53.64 O HETATM 1661 O HOH A 493 26.628 -2.620 14.842 1.00 43.97 O HETATM 1662 O HOH A 494 2.765 -7.896 27.120 1.00 57.69 O HETATM 1663 O HOH A 495 17.286 4.891 6.819 1.00 84.57 O HETATM 1664 O HOH A 496 6.053 16.501 16.602 1.00 55.66 O HETATM 1665 O HOH A 497 9.448 -6.184 21.187 1.00 34.15 O HETATM 1666 O HOH A 498 42.589 -3.413 10.415 1.00 71.71 O HETATM 1667 O HOH A 499 25.151 -7.361 14.905 1.00 41.27 O HETATM 1668 O HOH A 500 7.192 -12.411 20.719 1.00 40.69 O HETATM 1669 O HOH A 501 -0.004 -3.825 28.909 1.00 41.02 O HETATM 1670 O HOH A 502 -13.783 6.294 18.192 1.00 53.43 O HETATM 1671 O HOH A 503 24.595 -1.510 23.650 1.00 60.39 O HETATM 1672 O HOH A 504 -19.055 4.245 16.711 1.00 59.35 O HETATM 1673 O HOH A 505 14.476 -1.958 24.845 1.00 61.23 O HETATM 1674 O HOH A 506 1.319 -9.498 0.777 1.00 38.77 O HETATM 1675 O HOH A 507 12.192 -8.566 19.946 1.00 54.48 O HETATM 1676 O HOH A 508 -0.887 -14.756 20.962 1.00 52.24 O HETATM 1677 O HOH A 509 1.565 5.811 33.414 1.00 42.21 O HETATM 1678 O HOH A 510 5.006 -7.353 26.467 1.00 40.61 O HETATM 1679 O HOH A 511 -21.648 2.476 6.496 1.00 45.65 O HETATM 1680 O HOH A 512 2.956 -15.180 20.641 1.00 34.83 O HETATM 1681 O HOH A 513 9.583 -11.258 15.636 1.00 38.21 O HETATM 1682 O HOH A 514 -14.383 -2.495 9.368 1.00 39.15 O HETATM 1683 O HOH A 515 24.448 -6.913 10.039 1.00 78.00 O HETATM 1684 O HOH A 516 -6.877 -0.811 28.006 1.00 44.59 O HETATM 1685 O HOH A 517 -14.317 11.547 13.511 1.00 40.86 O HETATM 1686 O HOH A 518 21.045 13.535 18.778 1.00 57.98 O HETATM 1687 O HOH A 519 5.590 -10.775 24.795 1.00 53.95 O HETATM 1688 O HOH A 520 -13.937 3.160 16.997 1.00 86.08 O HETATM 1689 O HOH A 521 19.916 2.079 2.913 1.00 46.28 O HETATM 1690 O HOH A 522 17.570 -7.222 5.029 1.00 60.00 O HETATM 1691 O HOH A 523 -8.071 -9.825 22.913 1.00 34.36 O HETATM 1692 O HOH A 524 41.071 0.518 4.116 1.00 70.88 O HETATM 1693 O HOH A 525 -1.311 4.853 33.021 1.00 52.26 O HETATM 1694 O HOH A 526 6.863 5.443 22.598 1.00 55.18 O HETATM 1695 O HOH A 527 10.585 3.943 22.852 1.00 41.47 O HETATM 1696 O HOH A 528 -3.293 14.435 4.093 1.00 39.52 O HETATM 1697 O HOH A 529 34.361 -5.639 15.247 1.00 61.90 O HETATM 1698 O HOH A 530 7.647 18.881 0.875 1.00 51.17 O HETATM 1699 O HOH A 531 13.696 7.274 23.065 1.00 39.57 O HETATM 1700 O HOH A 532 6.081 -0.873 32.772 1.00 57.01 O HETATM 1701 O HOH A 533 -17.248 -3.090 4.108 1.00 44.89 O HETATM 1702 O HOH A 534 15.376 -2.627 29.769 1.00 47.27 O HETATM 1703 O HOH A 535 11.991 3.857 25.076 1.00 48.19 O HETATM 1704 O HOH A 536 -10.609 -10.384 15.308 1.00 63.18 O HETATM 1705 O HOH A 537 34.856 5.468 0.559 1.00 47.08 O HETATM 1706 O HOH A 538 2.562 0.544 29.972 1.00 47.91 O HETATM 1707 O HOH A 539 -11.854 -9.282 1.847 1.00 49.93 O HETATM 1708 O HOH A 540 -16.058 3.715 23.224 1.00 30.89 O HETATM 1709 O HOH A 541 20.979 9.090 20.621 1.00 50.28 O HETATM 1710 O HOH A 542 18.014 10.986 7.624 1.00 44.98 O HETATM 1711 O HOH A 543 -12.204 5.154 23.698 1.00 40.87 O HETATM 1712 O HOH A 544 -10.260 -13.346 9.030 1.00 48.33 O HETATM 1713 O HOH A 545 9.867 -12.753 18.501 1.00 63.64 O HETATM 1714 O HOH A 546 -16.936 0.739 -2.235 1.00 50.63 O HETATM 1715 O HOH A 547 5.228 -13.808 20.296 1.00 43.57 O HETATM 1716 O HOH A 548 8.444 -9.166 21.655 1.00 87.21 O HETATM 1717 O HOH A 549 8.958 15.831 1.937 1.00 53.51 O HETATM 1718 O HOH A 550 -4.702 1.231 36.069 1.00 48.31 O HETATM 1719 O HOH A 551 -5.705 2.394 28.785 1.00 58.59 O HETATM 1720 O HOH A 552 -15.498 -5.514 11.927 1.00 56.83 O HETATM 1721 O HOH A 553 -8.959 11.845 0.663 1.00 40.06 O HETATM 1722 O HOH A 554 11.227 14.895 15.808 1.00 76.74 O HETATM 1723 O HOH A 555 11.080 -15.805 5.937 1.00 55.03 O HETATM 1724 O HOH A 556 26.918 -3.825 5.663 1.00 57.35 O HETATM 1725 O HOH A 557 21.999 10.026 7.364 1.00 49.46 O HETATM 1726 O HOH A 558 -12.028 -10.617 17.424 1.00 47.73 O HETATM 1727 O HOH A 559 24.703 -9.134 16.885 1.00 58.33 O HETATM 1728 O HOH A 560 -5.809 -3.721 30.931 1.00 50.38 O HETATM 1729 O HOH A 561 -18.032 -6.534 7.069 1.00 65.33 O HETATM 1730 O HOH A 562 -23.095 0.563 3.275 1.00 61.15 O HETATM 1731 O HOH A 563 -12.320 -8.913 21.012 1.00 36.68 O HETATM 1732 O HOH A 564 5.305 8.063 22.517 1.00 43.90 O HETATM 1733 O HOH A 565 7.592 -11.251 18.366 1.00 43.45 O HETATM 1734 O HOH A 566 3.158 -20.918 14.199 1.00 60.68 O HETATM 1735 O HOH A 567 27.269 0.176 22.761 1.00 43.19 O HETATM 1736 O HOH A 568 -15.787 -5.005 3.164 1.00 51.83 O HETATM 1737 O HOH A 569 8.203 2.251 19.347 1.00 44.44 O HETATM 1738 O HOH A 570 -0.877 11.481 19.899 1.00 40.21 O HETATM 1739 O HOH A 571 -8.374 -18.673 10.687 1.00 54.10 O HETATM 1740 O HOH A 572 -7.427 -12.755 19.726 1.00 39.68 O HETATM 1741 O HOH A 573 0.336 -6.616 29.556 1.00 51.15 O HETATM 1742 O HOH A 574 13.198 9.271 14.810 1.00 68.38 O HETATM 1743 O HOH A 575 14.720 9.028 27.016 1.00 44.15 O HETATM 1744 O HOH A 576 43.585 -1.788 8.780 1.00 59.30 O HETATM 1745 O HOH A 577 -8.375 -10.755 29.244 1.00 52.48 O HETATM 1746 O HOH A 578 10.052 -11.781 20.988 1.00 64.88 O HETATM 1747 O HOH A 579 -2.113 8.493 25.109 1.00 46.88 O HETATM 1748 O HOH A 580 7.925 -19.607 8.097 1.00 56.78 O HETATM 1749 O HOH A 581 -16.464 -1.443 10.953 1.00 56.27 O HETATM 1750 O HOH A 582 -3.019 15.116 1.499 1.00 38.16 O HETATM 1751 O HOH A 583 -16.494 -5.023 9.520 1.00 53.45 O HETATM 1752 O HOH A 584 3.111 -15.042 23.970 1.00 59.75 O HETATM 1753 O HOH A 585 -4.386 10.478 22.651 1.00 52.97 O HETATM 1754 O HOH A 586 -4.696 -20.567 16.214 1.00 74.05 O HETATM 1755 O HOH A 587 -10.231 -9.027 24.445 1.00 51.14 O HETATM 1756 O HOH A 588 42.169 0.534 7.452 1.00 61.75 O HETATM 1757 O HOH A 589 -11.016 10.487 21.718 1.00 58.15 O HETATM 1758 O HOH A 590 -16.709 6.834 -0.912 1.00 61.87 O CONECT 1532 1533 1534 1535 1536 CONECT 1533 1532 CONECT 1534 1532 CONECT 1535 1532 CONECT 1536 1532 CONECT 1537 1538 1539 1540 1541 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1537 CONECT 1541 1537 CONECT 1542 1543 CONECT 1543 1542 1544 1547 CONECT 1544 1543 1545 1546 CONECT 1545 1544 CONECT 1546 1544 CONECT 1547 1543 1548 CONECT 1548 1547 1549 CONECT 1549 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 1552 CONECT 1552 1551 1553 1554 CONECT 1553 1552 1558 CONECT 1554 1552 1555 1556 CONECT 1555 1554 CONECT 1556 1554 1557 1558 CONECT 1557 1556 CONECT 1558 1553 1556 1559 CONECT 1559 1558 1560 1568 CONECT 1560 1559 1561 CONECT 1561 1560 1562 CONECT 1562 1561 1563 1568 CONECT 1563 1562 1564 1565 CONECT 1564 1563 CONECT 1565 1563 1566 CONECT 1566 1565 1567 CONECT 1567 1566 1568 CONECT 1568 1559 1562 1567 MASTER 341 0 3 10 7 0 10 6 1757 1 37 15 END