HEADER OXYGEN TRANSPORT 25-JUL-02 1H1X TITLE SPERM WHALE MYOGLOBIN MUTANT T67R S92D COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYOGLOBIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES; COMPND 6 OTHER_DETAILS: MUTATION THR 67 ARG AND SER 92 ASP SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PHYSETER CATODON; SOURCE 3 ORGANISM_COMMON: SPERM WHALE; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI KEYWDS GLOBIN, PEROXIDASE, OXYGEN STORAGE, HEME, MUSCLE EXPDTA X-RAY DIFFRACTION AUTHOR S.ZUCCOTTI,M.BOLOGNESI REVDAT 3 20-DEC-06 1H1X 1 JRNL REVDAT 2 29-APR-05 1H1X 1 REMARK REVDAT 1 23-OCT-03 1H1X 0 JRNL AUTH R.RONCONE,E.MONZANI,M.MURTAS,G.BATTAINI,A.PENNATI, JRNL AUTH 2 A.M.SANANGELANTONI,S.ZUCCOTTI,M.BOLOGNESI,L.CASELLA JRNL TITL ENGINEERING PEROXIDASE ACTIVITY IN MYOGLOBIN: THE JRNL TITL 2 HAEM CAVITY STRUCTURE AND PEROXIDE ACTIVATION IN JRNL TITL 3 THE T67R/S92D MUTANT AND ITS DERIVATIVE JRNL TITL 4 RECONSTITUTED WITH PROTOHAEMIN-L-HISTIDINE. JRNL REF BIOCHEM.J. V. 377 717 2004 JRNL REFN ASTM BIJOAK UK ISSN 1470-8728 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.L.QUILLIN,R.M.ARDUINI,J.S.OLSON,G.N.PHILLIPS JR. REMARK 1 TITL HIGH-RESOLUTION CRYSTAL STRUCTURES OF DISTAL REMARK 1 TITL 2 HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN REMARK 1 EDIT P.E.WRIGHT REMARK 1 REF J.MOL.BIOL. V. 234 140 1993 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 1.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 3 NUMBER OF REFLECTIONS : 41560 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.121 REMARK 3 R VALUE (WORKING SET) : 0.119 REMARK 3 FREE R VALUE : 0.153 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2069 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1264 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 54 REMARK 3 SOLVENT ATOMS : 302 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 16.03 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.13000 REMARK 3 B22 (A**2) : 0.13000 REMARK 3 B33 (A**2) : -0.20000 REMARK 3 B12 (A**2) : 0.07000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.044 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.044 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.024 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.470 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : NULL ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: C-TERMINAL RESIDUES (Q152, G153) LIE REMARK 3 IN A POORLY DEFINED ELECTRON DENSITY REGION. REMARK 4 REMARK 4 1H1X COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.102 (2007-05-31) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI . REMARK 100 THE EBI ID CODE IS EBI-11163 . REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 15-APR-2002 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 9.00 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID14-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.933 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 41560 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.400 REMARK 200 RESOLUTION RANGE LOW (A) : 19.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 200 DATA REDUNDANCY : 13.510 REMARK 200 R MERGE (I) : 0.05700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 28.9700 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.40 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.44 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.26400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.840 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 1FCS REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 47.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.34 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 9.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 6 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z REMARK 290 3555 -X+Y,-X,Z REMARK 290 4555 -X,-Y,Z REMARK 290 5555 Y,-X+Y,Z REMARK 290 6555 X-Y,X,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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). REMARK 350 REMARK 350 GENERATING THE BIOMOLECULE 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 APPLY THE FOLLOWING TO CHAINS: A, Z 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 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 REMARK 500 O HOH Z 210 O HOH Z 211 0.30 REMARK 500 C ARG A 139 O HOH Z 268 0.92 REMARK 500 N LYS A 140 O HOH Z 268 1.14 REMARK 500 O HOH Z 253 O HOH Z 263 1.27 REMARK 500 OE2 GLU A 41 O HOH Z 112 1.44 REMARK 500 CA ARG A 139 O HOH Z 268 1.61 REMARK 500 N VAL A 1 O HOH Z 7 1.76 REMARK 500 OE2 GLU A 136 O HOH Z 263 1.76 REMARK 500 NZ LYS A 145 O HOH Z 278 1.78 REMARK 500 O HOH Z 116 O HOH Z 118 1.86 REMARK 500 O MET A 0 O HOH Z 1 1.88 REMARK 500 OE2 GLU A 83 O HOH Z 194 1.90 REMARK 500 C MET A 0 O HOH Z 7 1.92 REMARK 500 OE1 GLU A 136 O HOH Z 259 1.93 REMARK 500 N ARG A 139 O HOH Z 268 1.94 REMARK 500 O2A HEM A 1154 O HOH Z 292 2.00 REMARK 500 O ARG A 139 O HOH Z 268 2.01 REMARK 500 NZ LYS A 133 O HOH Z 256 2.03 REMARK 500 O2A HEM A 1154 O HOH Z 290 2.08 REMARK 500 NZ LYS A 56 O HOH Z 161 2.11 REMARK 500 CG GLU A 136 O HOH Z 263 2.18 REMARK 500 CD GLU A 136 O HOH Z 259 2.18 REMARK 500 OE2 GLU A 136 O HOH Z 259 2.19 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 Z 50 O HOH Z 50 2655 1.35 REMARK 500 O HOH Z 71 O HOH Z 115 3665 1.95 REMARK 500 O HOH Z 49 O HOH Z 60 2655 2.01 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) REMARK 500 REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 MET A 0 SD MET A 0 CE 0.215 REMARK 500 LYS A 34 CD LYS A 34 CE -0.340 REMARK 500 GLU A 83 CB GLU A 83 CG 0.349 REMARK 500 GLU A 83 CG GLU A 83 CD 0.454 REMARK 500 LEU A 89 CG LEU A 89 CD2 0.287 REMARK 500 LYS A 98 CG LYS A 98 CD -0.343 REMARK 500 LYS A 98 CD LYS A 98 CE 0.454 REMARK 500 LYS A 145 CE LYS A 145 NZ -0.458 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: ENGH AND HUBER, 1991 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LYS A 34 CD - CE - NZ ANGL. DEV. = 14.3 DEGREES REMARK 500 GLU A 83 CG - CD - OE1 ANGL. DEV. =-20.5 DEGREES REMARK 500 LEU A 89 CD1 - CG - CD2 ANGL. DEV. = 14.8 DEGREES REMARK 500 LYS A 98 CB - CG - CD ANGL. DEV. = 26.5 DEGREES REMARK 500 LYS A 98 CD - CE - NZ ANGL. DEV. =-37.5 DEGREES REMARK 500 LYS A 145 CD - CE - NZ ANGL. DEV. = 32.0 DEGREES REMARK 500 LYS A 147 CD - CE - NZ ANGL. DEV. =-16.9 DEGREES REMARK 500 GLN A 152 CB - CA - C ANGL. DEV. = 25.3 DEGREES REMARK 525 REMARK 525 SOLVENT REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH Z 118 DISTANCE = 5.42 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: HEM REMARK 800 SITE_DESCRIPTION: SO4 BINDING SITE FOR CHAIN A DBREF 1H1X A 0 0 UNP P02185 MYG_PHYCA 0 0 DBREF 1H1X A 1 153 UNP P02185 MYG_PHYCA 1 153 SEQADV 1H1X ARG A 67 UNP P02185 VAL 67 ENGINEERED MUTATION SEQADV 1H1X ASP A 92 UNP P02185 SER 92 ENGINEERED MUTATION SEQADV 1H1X ASN A 122 UNP P02185 ASP 122 CONFLICT SEQRES 1 A 154 MET VAL LEU SER GLU GLY GLU TRP GLN LEU VAL LEU HIS SEQRES 2 A 154 VAL TRP ALA LYS VAL GLU ALA ASP VAL ALA GLY HIS GLY SEQRES 3 A 154 GLN ASP ILE LEU ILE ARG LEU PHE LYS SER HIS PRO GLU SEQRES 4 A 154 THR LEU GLU LYS PHE ASP ARG PHE LYS HIS LEU LYS THR SEQRES 5 A 154 GLU ALA GLU MET LYS ALA SER GLU ASP LEU LYS LYS HIS SEQRES 6 A 154 GLY VAL ARG VAL LEU THR ALA LEU GLY ALA ILE LEU LYS SEQRES 7 A 154 LYS LYS GLY HIS HIS GLU ALA GLU LEU LYS PRO LEU ALA SEQRES 8 A 154 GLN ASP HIS ALA THR LYS HIS LYS ILE PRO ILE LYS TYR SEQRES 9 A 154 LEU GLU PHE ILE SER GLU ALA ILE ILE HIS VAL LEU HIS SEQRES 10 A 154 SER ARG HIS PRO GLY ASN PHE GLY ALA ASP ALA GLN GLY SEQRES 11 A 154 ALA MET ASN LYS ALA LEU GLU LEU PHE ARG LYS ASP ILE SEQRES 12 A 154 ALA ALA LYS TYR LYS GLU LEU GLY TYR GLN GLY HET CYN A1155 2 HET SO4 A1156 5 HET HEM A1154 47 HETNAM CYN CYANIDE ION HETNAM SO4 SULFATE ION HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETSYN HEM HEME FORMUL 2 CYN C N 1- FORMUL 3 SO4 O4 S 2- FORMUL 4 HEM C34 H32 FE N4 O4 FORMUL 5 HOH *302(H2 O) HELIX 1 1 SER A 3 GLU A 18 1 16 HELIX 2 2 ASP A 20 HIS A 36 1 17 HELIX 3 3 PRO A 37 PHE A 43 5 7 HELIX 4 4 THR A 51 SER A 58 1 8 HELIX 5 5 SER A 58 LYS A 78 1 21 HELIX 6 6 HIS A 82 LYS A 96 1 15 HELIX 7 7 PRO A 100 HIS A 119 1 20 HELIX 8 8 GLY A 124 GLY A 150 1 27 LINK FE HEM A1154 NE2 HIS A 93 LINK FE HEM A1154 C CYN A1155 SITE 1 HEM 22 THR A 39 LYS A 42 PHE A 43 ARG A 45 SITE 2 HEM 22 HIS A 64 ARG A 67 ALA A 71 LEU A 89 SITE 3 HEM 22 ASP A 92 HIS A 93 HIS A 97 ILE A 99 SITE 4 HEM 22 TYR A 103 HOH Z 130 HOH Z 206 HOH Z 212 SITE 5 HEM 22 HOH Z 290 HOH Z 291 HOH Z 292 HOH Z 293 SITE 6 HEM 22 HOH Z 294 HOH Z 295 SITE 1 CYN 2 PHE A 43 HIS A 64 SITE 1 SO4 8 GLY A 124 ALA A 125 ASP A 126 HOH Z 296 SITE 2 SO4 8 HOH Z 297 HOH Z 298 HOH Z 299 HOH Z 302 CRYST1 90.524 90.524 45.129 90.00 90.00 120.00 P 6 6 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 0.011047 0.006378 0.000000 0.00000 SCALE2 0.000000 0.012756 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022159 0.00000 ATOM 1 N MET A 0 66.180 7.884 16.885 1.00 44.76 N ATOM 2 CA MET A 0 66.273 9.364 17.056 1.00 40.85 C ATOM 3 C MET A 0 64.894 9.864 17.440 1.00 33.24 C ATOM 4 O MET A 0 63.901 9.157 17.236 1.00 36.13 O ATOM 5 CB MET A 0 66.689 10.009 15.746 1.00 40.94 C ATOM 6 CG MET A 0 65.764 9.603 14.638 1.00 40.53 C ATOM 7 SD MET A 0 66.324 10.028 12.980 1.00 41.75 S ATOM 8 CE MET A 0 65.620 11.902 12.849 1.00 15.22 C ATOM 9 N VAL A 1 64.806 11.094 17.936 1.00 24.24 N ATOM 10 CA VAL A 1 63.507 11.585 18.414 1.00 19.02 C ATOM 11 C VAL A 1 63.282 13.093 18.213 1.00 13.61 C ATOM 12 O VAL A 1 64.081 13.920 18.618 1.00 19.07 O ATOM 13 CB VAL A 1 63.367 11.289 19.904 1.00 23.93 C ATOM 14 CG1 VAL A 1 62.041 11.680 20.385 1.00 22.55 C ATOM 15 CG2 VAL A 1 63.576 9.803 20.202 1.00 31.82 C ATOM 16 N LEU A 2 62.187 13.451 17.567 1.00 11.33 N ATOM 17 CA LEU A 2 61.893 14.856 17.315 1.00 10.00 C ATOM 18 C LEU A 2 61.245 15.469 18.551 1.00 10.06 C ATOM 19 O LEU A 2 60.565 14.780 19.342 1.00 11.00 O ATOM 20 CB LEU A 2 60.918 15.020 16.144 1.00 10.20 C ATOM 21 CG LEU A 2 61.588 15.042 14.763 1.00 9.47 C ATOM 22 CD1 LEU A 2 62.003 13.599 14.366 1.00 12.42 C ATOM 23 CD2 LEU A 2 60.592 15.565 13.710 1.00 10.62 C ATOM 24 N SER A 3 61.492 16.751 18.771 1.00 9.49 N ATOM 25 CA SER A 3 60.781 17.449 19.829 1.00 8.75 C ATOM 26 C SER A 3 59.365 17.797 19.354 1.00 9.19 C ATOM 27 O SER A 3 59.073 17.784 18.147 1.00 9.33 O ATOM 28 CB SER A 3 61.508 18.751 20.203 1.00 10.69 C ATOM 29 OG SER A 3 61.413 19.653 19.083 1.00 11.45 O ATOM 30 N GLU A 4 58.476 18.092 20.300 1.00 9.78 N ATOM 31 CA GLU A 4 57.155 18.562 19.896 1.00 9.44 C ATOM 32 C GLU A 4 57.239 19.814 19.011 1.00 9.00 C ATOM 33 O GLU A 4 56.471 19.962 18.067 1.00 9.41 O ATOM 34 CB GLU A 4 56.286 18.826 21.121 1.00 10.12 C ATOM 35 CG GLU A 4 54.953 19.497 20.869 1.00 11.80 C ATOM 36 CD GLU A 4 53.918 18.663 20.118 1.00 13.61 C ATOM 37 OE1 GLU A 4 54.157 17.468 19.850 1.00 14.13 O ATOM 38 OE2 GLU A 4 52.828 19.200 19.772 1.00 15.68 O ATOM 39 N GLY A 5 58.133 20.740 19.311 1.00 9.98 N ATOM 40 CA GLY A 5 58.277 21.935 18.494 1.00 10.24 C ATOM 41 C GLY A 5 58.673 21.582 17.051 1.00 9.16 C ATOM 42 O GLY A 5 58.187 22.195 16.086 1.00 10.25 O ATOM 43 N GLU A 6 59.563 20.591 16.896 1.00 8.45 N ATOM 44 CA GLU A 6 59.909 20.139 15.549 1.00 8.70 C ATOM 45 C GLU A 6 58.704 19.513 14.847 1.00 7.23 C ATOM 46 O GLU A 6 58.432 19.823 13.700 1.00 7.55 O ATOM 47 CB GLU A 6 61.084 19.149 15.584 1.00 9.97 C ATOM 48 CG GLU A 6 62.390 19.865 15.920 1.00 10.96 C ATOM 49 CD GLU A 6 63.540 18.957 16.336 1.00 12.90 C ATOM 50 OE1 GLU A 6 63.317 17.820 16.784 1.00 12.02 O ATOM 51 OE2 GLU A 6 64.697 19.414 16.226 1.00 17.01 O ATOM 52 N TRP A 7 57.940 18.696 15.556 1.00 7.93 N ATOM 53 CA TRP A 7 56.744 18.136 14.957 1.00 7.84 C ATOM 54 C TRP A 7 55.794 19.229 14.541 1.00 8.54 C ATOM 55 O TRP A 7 55.146 19.123 13.495 1.00 8.44 O ATOM 56 CB TRP A 7 56.010 17.149 15.893 1.00 9.00 C ATOM 57 CG TRP A 7 56.726 15.827 15.990 1.00 8.09 C ATOM 58 CD1 TRP A 7 57.236 15.246 17.115 1.00 8.48 C ATOM 59 CD2 TRP A 7 56.985 14.910 14.909 1.00 7.54 C ATOM 60 NE1 TRP A 7 57.797 14.027 16.806 1.00 7.33 N ATOM 61 CE2 TRP A 7 57.671 13.798 15.453 1.00 6.96 C ATOM 62 CE3 TRP A 7 56.615 14.882 13.552 1.00 7.94 C ATOM 63 CZ2 TRP A 7 58.080 12.707 14.680 1.00 7.72 C ATOM 64 CZ3 TRP A 7 56.997 13.780 12.767 1.00 8.28 C ATOM 65 CH2 TRP A 7 57.755 12.719 13.323 1.00 9.23 C ATOM 66 N GLN A 8 55.651 20.281 15.346 1.00 8.31 N ATOM 67 CA GLN A 8 54.717 21.321 14.926 1.00 8.21 C ATOM 68 C GLN A 8 55.174 22.049 13.668 1.00 7.91 C ATOM 69 O GLN A 8 54.335 22.403 12.852 1.00 9.37 O ATOM 70 CB GLN A 8 54.466 22.322 16.070 1.00 12.07 C ATOM 71 CG GLN A 8 53.654 21.706 17.221 1.00 13.39 C ATOM 72 CD GLN A 8 52.292 21.130 16.777 1.00 19.70 C ATOM 73 OE1 GLN A 8 51.814 20.122 17.323 1.00 26.79 O ATOM 74 NE2 GLN A 8 51.642 21.805 15.851 1.00 24.34 N ATOM 75 N LEU A 9 56.486 22.204 13.473 1.00 7.54 N ATOM 76 CA LEU A 9 56.956 22.773 12.216 1.00 7.87 C ATOM 77 C LEU A 9 56.638 21.862 11.040 1.00 7.67 C ATOM 78 O LEU A 9 56.260 22.335 9.948 1.00 8.64 O ATOM 79 CB LEU A 9 58.466 23.038 12.263 1.00 8.53 C ATOM 80 CG LEU A 9 58.867 24.130 13.248 1.00 9.72 C ATOM 81 CD1 LEU A 9 60.386 24.208 13.384 1.00 14.60 C ATOM 82 CD2 LEU A 9 58.315 25.490 12.767 1.00 19.46 C ATOM 83 N VAL A 10 56.766 20.551 11.242 1.00 7.12 N ATOM 84 CA VAL A 10 56.412 19.588 10.178 1.00 7.03 C ATOM 85 C VAL A 10 54.932 19.700 9.854 1.00 7.79 C ATOM 86 O VAL A 10 54.527 19.757 8.687 1.00 8.05 O ATOM 87 CB VAL A 10 56.783 18.171 10.650 1.00 7.09 C ATOM 88 CG1 VAL A 10 56.211 17.083 9.722 1.00 9.00 C ATOM 89 CG2 VAL A 10 58.282 18.048 10.779 1.00 8.87 C ATOM 90 N LEU A 11 54.097 19.720 10.891 1.00 8.11 N ATOM 91 CA LEU A 11 52.655 19.674 10.666 1.00 9.17 C ATOM 92 C LEU A 11 52.114 21.012 10.169 1.00 8.85 C ATOM 93 O LEU A 11 51.121 21.026 9.422 1.00 10.03 O ATOM 94 CB LEU A 11 51.938 19.234 11.958 1.00 11.03 C ATOM 95 CG LEU A 11 52.337 17.803 12.342 1.00 13.34 C ATOM 96 CD1 LEU A 11 51.714 17.417 13.678 1.00 18.69 C ATOM 97 CD2 LEU A 11 51.930 16.767 11.265 1.00 16.13 C ATOM 98 N HIS A 12 52.822 22.110 10.441 1.00 8.40 N ATOM 99 CA HIS A 12 52.353 23.411 9.934 1.00 9.40 C ATOM 100 C HIS A 12 52.595 23.546 8.425 1.00 9.43 C ATOM 101 O HIS A 12 51.741 24.067 7.709 1.00 11.03 O ATOM 102 CB HIS A 12 53.019 24.550 10.690 1.00 12.83 C ATOM 103 CG HIS A 12 52.248 24.983 11.886 1.00 29.46 C ATOM 104 ND1 HIS A 12 51.213 25.891 11.811 1.00 37.16 N ATOM 105 CD2 HIS A 12 52.305 24.579 13.176 1.00 39.08 C ATOM 106 CE1 HIS A 12 50.709 26.078 13.019 1.00 43.33 C ATOM 107 NE2 HIS A 12 51.356 25.295 13.866 1.00 38.04 N ATOM 108 N VAL A 13 53.694 22.999 7.917 1.00 8.26 N ATOM 109 CA VAL A 13 53.830 22.986 6.453 1.00 7.28 C ATOM 110 C VAL A 13 52.912 21.939 5.813 1.00 7.60 C ATOM 111 O VAL A 13 52.395 22.147 4.720 1.00 7.11 O ATOM 112 CB VAL A 13 55.281 22.887 5.976 1.00 7.64 C ATOM 113 CG1 VAL A 13 55.883 21.501 6.178 1.00 10.97 C ATOM 114 CG2 VAL A 13 55.393 23.285 4.506 1.00 8.53 C ATOM 115 N TRP A 14 52.708 20.795 6.478 1.00 7.03 N ATOM 116 CA TRP A 14 51.849 19.786 5.903 1.00 7.21 C ATOM 117 C TRP A 14 50.429 20.318 5.763 1.00 6.93 C ATOM 118 O TRP A 14 49.709 19.932 4.831 1.00 6.87 O ATOM 119 CB TRP A 14 51.855 18.480 6.701 1.00 7.90 C ATOM 120 CG TRP A 14 51.597 17.331 5.821 1.00 7.51 C ATOM 121 CD1 TRP A 14 50.416 16.623 5.651 1.00 9.74 C ATOM 122 CD2 TRP A 14 52.502 16.828 4.839 1.00 8.15 C ATOM 123 NE1 TRP A 14 50.567 15.718 4.614 1.00 9.83 N ATOM 124 CE2 TRP A 14 51.833 15.824 4.106 1.00 9.93 C ATOM 125 CE3 TRP A 14 53.818 17.135 4.500 1.00 8.73 C ATOM 126 CZ2 TRP A 14 52.464 15.095 3.074 1.00 10.45 C ATOM 127 CZ3 TRP A 14 54.430 16.446 3.442 1.00 11.94 C ATOM 128 CH2 TRP A 14 53.759 15.420 2.785 1.00 12.40 C ATOM 129 N ALA A 15 50.024 21.205 6.692 1.00 7.50 N ATOM 130 CA ALA A 15 48.693 21.790 6.571 1.00 8.28 C ATOM 131 C ALA A 15 48.543 22.544 5.269 1.00 7.88 C ATOM 132 O ALA A 15 47.425 22.625 4.714 1.00 8.05 O ATOM 133 CB ALA A 15 48.436 22.729 7.731 1.00 10.24 C ATOM 134 N LYS A 16 49.637 23.115 4.769 1.00 8.07 N ATOM 135 CA LYS A 16 49.578 23.839 3.474 1.00 8.74 C ATOM 136 C LYS A 16 49.560 22.851 2.290 1.00 7.94 C ATOM 137 O LYS A 16 48.833 23.057 1.311 1.00 8.11 O ATOM 138 CB LYS A 16 50.760 24.806 3.330 1.00 9.29 C ATOM 139 CG LYS A 16 50.871 25.782 4.511 1.00 9.99 C ATOM 140 CD LYS A 16 49.563 26.582 4.793 1.00 11.83 C ATOM 141 CE LYS A 16 49.686 27.418 6.056 1.00 13.56 C ATOM 142 NZ LYS A 16 48.351 27.849 6.568 1.00 22.60 N ATOM 143 N VAL A 17 50.330 21.754 2.381 1.00 7.83 N ATOM 144 CA VAL A 17 50.213 20.691 1.371 1.00 8.27 C ATOM 145 C VAL A 17 48.772 20.273 1.194 1.00 7.49 C ATOM 146 O VAL A 17 48.310 20.041 0.075 1.00 8.27 O ATOM 147 CB VAL A 17 51.088 19.473 1.784 1.00 8.55 C ATOM 148 CG1 VAL A 17 50.868 18.263 0.902 1.00 9.70 C ATOM 149 CG2 VAL A 17 52.550 19.893 1.781 1.00 10.54 C ATOM 150 N GLU A 18 48.072 20.146 2.328 1.00 6.55 N ATOM 151 CA GLU A 18 46.691 19.642 2.316 1.00 7.30 C ATOM 152 C GLU A 18 45.678 20.623 1.729 1.00 7.18 C ATOM 153 O GLU A 18 44.529 20.229 1.511 1.00 8.23 O ATOM 154 CB GLU A 18 46.271 19.237 3.748 1.00 7.40 C ATOM 155 CG GLU A 18 47.008 17.953 4.137 1.00 7.65 C ATOM 156 CD GLU A 18 46.689 17.528 5.540 1.00 9.01 C ATOM 157 OE1 GLU A 18 46.287 18.405 6.353 1.00 9.57 O ATOM 158 OE2 GLU A 18 46.831 16.325 5.830 1.00 10.58 O ATOM 159 N ALA A 19 46.064 21.863 1.421 1.00 7.32 N ATOM 160 CA ALA A 19 45.164 22.676 0.592 1.00 7.89 C ATOM 161 C ALA A 19 44.942 22.047 -0.777 1.00 7.91 C ATOM 162 O ALA A 19 43.893 22.270 -1.396 1.00 8.73 O ATOM 163 CB ALA A 19 45.738 24.108 0.429 1.00 9.08 C ATOM 164 N ASP A 20 45.930 21.322 -1.290 1.00 7.88 N ATOM 165 CA ASP A 20 45.851 20.751 -2.645 1.00 7.43 C ATOM 166 C ASP A 20 46.819 19.592 -2.696 1.00 7.23 C ATOM 167 O ASP A 20 47.906 19.680 -3.322 1.00 7.30 O ATOM 168 CB ASP A 20 46.189 21.829 -3.669 1.00 9.98 C ATOM 169 CG ASP A 20 46.296 21.313 -5.093 1.00 9.62 C ATOM 170 OD1 ASP A 20 45.778 20.223 -5.399 1.00 10.46 O ATOM 171 OD2 ASP A 20 46.896 21.996 -5.968 1.00 16.39 O ATOM 172 N VAL A 21 46.469 18.470 -2.086 1.00 5.82 N ATOM 173 CA VAL A 21 47.438 17.389 -2.026 1.00 6.02 C ATOM 174 C VAL A 21 47.753 16.871 -3.431 1.00 5.98 C ATOM 175 O VAL A 21 48.911 16.510 -3.704 1.00 7.17 O ATOM 176 CB VAL A 21 47.023 16.262 -1.044 1.00 7.40 C ATOM 177 CG1 VAL A 21 45.795 15.481 -1.486 1.00 8.99 C ATOM 178 CG2 VAL A 21 48.218 15.319 -0.792 1.00 8.91 C ATOM 179 N ALA A 22 46.761 16.861 -4.347 1.00 6.18 N ATOM 180 CA ALA A 22 47.008 16.320 -5.660 1.00 6.88 C ATOM 181 C ALA A 22 48.096 17.132 -6.386 1.00 7.38 C ATOM 182 O ALA A 22 48.973 16.537 -7.030 1.00 6.93 O ATOM 183 CB ALA A 22 45.701 16.334 -6.499 1.00 8.11 C ATOM 184 N GLY A 23 48.036 18.470 -6.344 1.00 6.79 N ATOM 185 CA GLY A 23 49.028 19.273 -7.054 1.00 7.01 C ATOM 186 C GLY A 23 50.406 19.089 -6.438 1.00 6.42 C ATOM 187 O GLY A 23 51.425 19.086 -7.136 1.00 7.71 O ATOM 188 N HIS A 24 50.478 19.002 -5.108 1.00 6.33 N ATOM 189 CA HIS A 24 51.786 18.780 -4.460 1.00 6.70 C ATOM 190 C HIS A 24 52.342 17.417 -4.855 1.00 6.71 C ATOM 191 O HIS A 24 53.545 17.285 -5.076 1.00 7.61 O ATOM 192 CB HIS A 24 51.679 18.871 -2.940 1.00 6.90 C ATOM 193 CG HIS A 24 51.493 20.276 -2.436 1.00 6.88 C ATOM 194 ND1 HIS A 24 50.271 20.927 -2.466 1.00 7.05 N ATOM 195 CD2 HIS A 24 52.371 21.153 -1.888 1.00 7.92 C ATOM 196 CE1 HIS A 24 50.425 22.161 -1.989 1.00 8.50 C ATOM 197 NE2 HIS A 24 51.681 22.308 -1.593 1.00 8.49 N ATOM 198 N GLY A 25 51.477 16.397 -4.950 1.00 6.73 N ATOM 199 CA GLY A 25 51.943 15.074 -5.302 1.00 6.85 C ATOM 200 C GLY A 25 52.506 15.045 -6.712 1.00 7.41 C ATOM 201 O GLY A 25 53.511 14.389 -6.977 1.00 7.60 O ATOM 202 N GLN A 26 51.840 15.733 -7.637 1.00 6.89 N ATOM 203 CA GLN A 26 52.362 15.807 -8.993 1.00 6.69 C ATOM 204 C GLN A 26 53.742 16.455 -8.991 1.00 7.66 C ATOM 205 O GLN A 26 54.680 15.963 -9.623 1.00 7.79 O ATOM 206 CB GLN A 26 51.424 16.627 -9.887 1.00 7.45 C ATOM 207 CG GLN A 26 50.090 15.912 -10.189 1.00 7.88 C ATOM 208 CD GLN A 26 49.176 16.786 -11.000 1.00 10.43 C ATOM 209 OE1 GLN A 26 48.710 16.397 -12.099 1.00 15.16 O ATOM 210 NE2 GLN A 26 48.893 17.927 -10.473 1.00 9.49 N ATOM 211 N ASP A 27 53.897 17.582 -8.288 1.00 6.99 N ATOM 212 CA ASP A 27 55.177 18.268 -8.330 1.00 8.02 C ATOM 213 C ASP A 27 56.271 17.390 -7.738 1.00 7.21 C ATOM 214 O ASP A 27 57.383 17.357 -8.244 1.00 8.05 O ATOM 215 CB ASP A 27 55.129 19.544 -7.499 1.00 8.87 C ATOM 216 CG ASP A 27 54.406 20.664 -8.150 1.00 10.44 C ATOM 217 OD1 ASP A 27 53.949 20.512 -9.286 1.00 14.42 O ATOM 218 OD2 ASP A 27 54.309 21.753 -7.528 1.00 13.09 O ATOM 219 N ILE A 28 55.970 16.668 -6.656 1.00 6.08 N ATOM 220 CA ILE A 28 56.991 15.851 -6.002 1.00 6.57 C ATOM 221 C ILE A 28 57.403 14.661 -6.866 1.00 6.94 C ATOM 222 O ILE A 28 58.586 14.374 -6.989 1.00 7.54 O ATOM 223 CB ILE A 28 56.461 15.406 -4.600 1.00 6.25 C ATOM 224 CG1 ILE A 28 56.492 16.647 -3.695 1.00 7.21 C ATOM 225 CG2 ILE A 28 57.280 14.243 -4.025 1.00 8.56 C ATOM 226 CD1 ILE A 28 55.719 16.511 -2.411 1.00 9.08 C ATOM 227 N LEU A 29 56.432 13.956 -7.433 1.00 6.72 N ATOM 228 CA LEU A 29 56.765 12.827 -8.277 1.00 7.87 C ATOM 229 C LEU A 29 57.525 13.270 -9.523 1.00 7.68 C ATOM 230 O LEU A 29 58.491 12.640 -9.924 1.00 8.84 O ATOM 231 CB LEU A 29 55.511 12.062 -8.696 1.00 8.67 C ATOM 232 CG LEU A 29 54.888 11.304 -7.513 1.00 11.03 C ATOM 233 CD1 LEU A 29 53.453 10.838 -7.883 1.00 15.18 C ATOM 234 CD2 LEU A 29 55.773 10.115 -7.099 1.00 14.39 C ATOM 235 N ILE A 30 57.100 14.367 -10.146 1.00 7.77 N ATOM 236 CA ILE A 30 57.788 14.856 -11.349 1.00 8.20 C ATOM 237 C ILE A 30 59.222 15.241 -10.960 1.00 9.07 C ATOM 238 O ILE A 30 60.170 14.965 -11.699 1.00 9.31 O ATOM 239 CB ILE A 30 57.017 16.051 -11.939 1.00 9.45 C ATOM 240 CG1 ILE A 30 55.742 15.484 -12.571 1.00 12.93 C ATOM 241 CG2 ILE A 30 57.866 16.825 -12.969 1.00 12.55 C ATOM 242 CD1 ILE A 30 54.732 16.551 -13.002 1.00 14.08 C ATOM 243 N ARG A 31 59.396 15.943 -9.836 1.00 8.08 N ATOM 244 CA ARG A 31 60.754 16.322 -9.381 1.00 8.75 C ATOM 245 C ARG A 31 61.622 15.064 -9.173 1.00 9.73 C ATOM 246 O ARG A 31 62.804 15.043 -9.584 1.00 10.06 O ATOM 247 CB ARG A 31 60.663 17.121 -8.087 1.00 8.38 C ATOM 248 CG ARG A 31 62.013 17.473 -7.518 1.00 10.81 C ATOM 249 CD ARG A 31 62.776 18.438 -8.406 1.00 14.87 C ATOM 250 NE ARG A 31 64.106 18.608 -7.822 1.00 18.25 N ATOM 251 CZ ARG A 31 65.004 19.457 -8.268 1.00 21.34 C ATOM 252 NH1 ARG A 31 64.710 20.208 -9.321 1.00 24.97 N ATOM 253 NH2 ARG A 31 66.207 19.505 -7.701 1.00 24.27 N ATOM 254 N LEU A 32 61.066 14.033 -8.520 1.00 7.51 N ATOM 255 CA LEU A 32 61.802 12.779 -8.332 1.00 8.30 C ATOM 256 C LEU A 32 62.231 12.194 -9.663 1.00 9.09 C ATOM 257 O LEU A 32 63.381 11.823 -9.837 1.00 10.15 O ATOM 258 CB LEU A 32 60.882 11.785 -7.609 1.00 10.12 C ATOM 259 CG LEU A 32 61.455 10.360 -7.431 1.00 9.59 C ATOM 260 CD1 LEU A 32 62.726 10.395 -6.569 1.00 10.63 C ATOM 261 CD2 LEU A 32 60.368 9.471 -6.788 1.00 11.39 C ATOM 262 N PHE A 33 61.295 12.099 -10.601 1.00 8.27 N ATOM 263 CA PHE A 33 61.573 11.441 -11.865 1.00 10.70 C ATOM 264 C PHE A 33 62.539 12.218 -12.731 1.00 13.94 C ATOM 265 O PHE A 33 63.296 11.608 -13.530 1.00 15.59 O ATOM 266 CB PHE A 33 60.299 11.212 -12.650 1.00 10.67 C ATOM 267 CG PHE A 33 59.327 10.300 -11.981 1.00 10.36 C ATOM 268 CD1 PHE A 33 59.759 9.294 -11.098 1.00 11.88 C ATOM 269 CD2 PHE A 33 57.951 10.435 -12.237 1.00 11.21 C ATOM 270 CE1 PHE A 33 58.824 8.462 -10.478 1.00 12.52 C ATOM 271 CE2 PHE A 33 57.025 9.599 -11.624 1.00 12.50 C ATOM 272 CZ PHE A 33 57.475 8.619 -10.749 1.00 12.46 C ATOM 273 N LYS A 34 62.495 13.544 -12.624 1.00 11.72 N ATOM 274 CA LYS A 34 63.441 14.378 -13.365 1.00 14.74 C ATOM 275 C LYS A 34 64.844 14.374 -12.749 1.00 15.92 C ATOM 276 O LYS A 34 65.863 14.312 -13.458 1.00 17.69 O ATOM 277 CB LYS A 34 62.909 15.817 -13.427 1.00 17.13 C ATOM 278 CG LYS A 34 61.708 15.980 -14.372 1.00 22.32 C ATOM 279 CD LYS A 34 62.209 15.605 -15.861 0.00 24.97 C ATOM 280 CE LYS A 34 61.476 16.058 -16.667 1.00 36.95 C ATOM 281 NZ LYS A 34 61.644 15.988 -18.160 1.00 42.88 N ATOM 282 N SER A 35 64.918 14.410 -11.429 1.00 13.03 N ATOM 283 CA SER A 35 66.211 14.499 -10.756 1.00 12.65 C ATOM 284 C SER A 35 66.924 13.148 -10.737 1.00 14.18 C ATOM 285 O SER A 35 68.157 13.104 -10.708 1.00 15.16 O ATOM 286 CB SER A 35 66.067 15.029 -9.316 1.00 16.01 C ATOM 287 OG ASER A 35 65.633 16.357 -9.305 0.50 15.84 O ATOM 288 OG BSER A 35 65.199 14.224 -8.536 0.50 21.15 O ATOM 289 N HIS A 36 66.148 12.060 -10.674 1.00 13.28 N ATOM 290 CA HIS A 36 66.689 10.692 -10.586 1.00 12.67 C ATOM 291 C HIS A 36 65.859 9.784 -11.477 1.00 13.85 C ATOM 292 O HIS A 36 65.046 8.997 -11.003 1.00 12.73 O ATOM 293 CB HIS A 36 66.663 10.219 -9.115 1.00 13.13 C ATOM 294 CG HIS A 36 67.367 11.161 -8.199 1.00 13.33 C ATOM 295 ND1 HIS A 36 68.739 11.193 -8.091 1.00 16.91 N ATOM 296 CD2 HIS A 36 66.899 12.124 -7.374 1.00 16.28 C ATOM 297 CE1 HIS A 36 69.088 12.156 -7.251 1.00 16.88 C ATOM 298 NE2 HIS A 36 67.988 12.716 -6.786 1.00 17.48 N ATOM 299 N PRO A 37 66.090 9.855 -12.779 1.00 14.42 N ATOM 300 CA PRO A 37 65.260 9.133 -13.745 1.00 13.96 C ATOM 301 C PRO A 37 65.243 7.633 -13.541 1.00 14.88 C ATOM 302 O PRO A 37 64.242 6.994 -13.883 1.00 15.42 O ATOM 303 CB PRO A 37 65.900 9.478 -15.098 1.00 15.81 C ATOM 304 CG PRO A 37 66.596 10.784 -14.857 1.00 19.59 C ATOM 305 CD PRO A 37 67.058 10.762 -13.431 1.00 16.45 C ATOM 306 N GLU A 38 66.271 7.084 -12.894 1.00 13.93 N ATOM 307 CA GLU A 38 66.257 5.649 -12.612 1.00 13.98 C ATOM 308 C GLU A 38 65.069 5.265 -11.711 1.00 14.55 C ATOM 309 O GLU A 38 64.565 4.134 -11.798 1.00 15.09 O ATOM 310 CB GLU A 38 67.592 5.189 -12.008 1.00 15.73 C ATOM 311 CG GLU A 38 67.906 5.750 -10.632 1.00 16.39 C ATOM 312 CD GLU A 38 68.652 7.073 -10.640 1.00 20.60 C ATOM 313 OE1 GLU A 38 68.424 7.919 -11.562 1.00 21.43 O ATOM 314 OE2 GLU A 38 69.505 7.233 -9.731 1.00 25.61 O ATOM 315 N THR A 39 64.566 6.192 -10.885 1.00 12.11 N ATOM 316 CA THR A 39 63.443 5.824 -10.010 1.00 10.93 C ATOM 317 C THR A 39 62.175 5.526 -10.811 1.00 10.89 C ATOM 318 O THR A 39 61.343 4.711 -10.383 1.00 11.24 O ATOM 319 CB THR A 39 63.140 6.922 -8.995 1.00 10.41 C ATOM 320 OG1 THR A 39 62.823 8.148 -9.688 1.00 10.69 O ATOM 321 CG2 THR A 39 64.356 7.176 -8.059 1.00 11.85 C ATOM 322 N LEU A 40 61.988 6.217 -11.934 1.00 10.30 N ATOM 323 CA LEU A 40 60.789 6.006 -12.725 1.00 11.02 C ATOM 324 C LEU A 40 60.684 4.570 -13.242 1.00 11.34 C ATOM 325 O LEU A 40 59.585 4.054 -13.406 1.00 11.38 O ATOM 326 CB LEU A 40 60.781 6.996 -13.903 1.00 11.38 C ATOM 327 CG LEU A 40 59.598 6.904 -14.858 1.00 11.68 C ATOM 328 CD1 LEU A 40 58.255 7.080 -14.126 1.00 11.66 C ATOM 329 CD2 LEU A 40 59.793 7.932 -15.960 1.00 14.08 C ATOM 330 N GLU A 41 61.826 3.901 -13.430 1.00 12.22 N ATOM 331 CA GLU A 41 61.835 2.517 -13.920 1.00 13.29 C ATOM 332 C GLU A 41 61.223 1.531 -12.933 1.00 14.02 C ATOM 333 O GLU A 41 60.829 0.430 -13.330 1.00 15.59 O ATOM 334 CB GLU A 41 63.260 2.099 -14.271 1.00 24.05 C ATOM 335 CG GLU A 41 63.891 2.944 -15.390 1.00 30.49 C ATOM 336 CD AGLU A 41 62.962 3.152 -16.577 0.80 32.90 C ATOM 337 CD BGLU A 41 65.439 2.465 -15.474 0.20 16.90 C ATOM 338 OE1AGLU A 41 62.465 2.143 -17.138 0.80 31.50 O ATOM 339 OE1BGLU A 41 66.237 3.255 -16.012 0.20 25.09 O ATOM 340 OE2AGLU A 41 62.789 4.323 -17.003 0.80 31.84 O ATOM 341 OE2BGLU A 41 65.788 1.366 -14.999 0.20 21.30 O ATOM 342 N LYS A 42 61.060 1.941 -11.672 1.00 11.63 N ATOM 343 CA LYS A 42 60.423 1.060 -10.700 1.00 11.56 C ATOM 344 C LYS A 42 58.896 1.027 -10.857 1.00 10.91 C ATOM 345 O LYS A 42 58.234 0.183 -10.275 1.00 12.52 O ATOM 346 CB LYS A 42 60.770 1.500 -9.257 1.00 12.10 C ATOM 347 CG LYS A 42 62.253 1.268 -8.903 1.00 13.41 C ATOM 348 CD LYS A 42 62.469 -0.223 -8.600 1.00 13.28 C ATOM 349 CE LYS A 42 63.923 -0.462 -8.258 1.00 14.66 C ATOM 350 NZ LYS A 42 64.142 -1.900 -7.849 1.00 16.45 N ATOM 351 N PHE A 43 58.322 1.966 -11.616 1.00 11.22 N ATOM 352 CA PHE A 43 56.876 2.064 -11.739 1.00 11.38 C ATOM 353 C PHE A 43 56.430 1.439 -13.041 1.00 12.78 C ATOM 354 O PHE A 43 56.445 2.073 -14.089 1.00 13.30 O ATOM 355 CB PHE A 43 56.430 3.530 -11.705 1.00 11.33 C ATOM 356 CG PHE A 43 56.685 4.201 -10.380 1.00 9.99 C ATOM 357 CD1 PHE A 43 57.925 4.688 -10.070 1.00 11.37 C ATOM 358 CD2 PHE A 43 55.684 4.251 -9.412 1.00 10.77 C ATOM 359 CE1 PHE A 43 58.169 5.343 -8.836 1.00 11.92 C ATOM 360 CE2 PHE A 43 55.906 4.883 -8.163 1.00 11.36 C ATOM 361 CZ PHE A 43 57.173 5.424 -7.878 1.00 10.03 C ATOM 362 N ASP A 44 55.953 0.218 -12.969 1.00 14.50 N ATOM 363 CA ASP A 44 55.460 -0.409 -14.186 1.00 17.88 C ATOM 364 C ASP A 44 54.327 0.363 -14.892 1.00 14.57 C ATOM 365 O ASP A 44 54.224 0.353 -16.146 1.00 16.34 O ATOM 366 CB ASP A 44 55.033 -1.840 -13.888 1.00 21.06 C ATOM 367 CG ASP A 44 56.230 -2.752 -13.623 1.00 39.09 C ATOM 368 OD1 ASP A 44 57.372 -2.415 -14.043 1.00 36.73 O ATOM 369 OD2 ASP A 44 56.115 -3.852 -13.055 1.00 46.32 O ATOM 370 N ARG A 45 53.504 1.068 -14.110 1.00 13.48 N ATOM 371 CA ARG A 45 52.369 1.789 -14.649 1.00 13.76 C ATOM 372 C ARG A 45 52.776 3.103 -15.286 1.00 13.16 C ATOM 373 O ARG A 45 51.995 3.647 -16.091 1.00 16.05 O ATOM 374 CB ARG A 45 51.290 2.063 -13.598 1.00 20.41 C ATOM 375 CG ARG A 45 50.367 0.887 -13.347 1.00 28.01 C ATOM 376 CD ARG A 45 49.006 1.249 -12.716 1.00 36.68 C ATOM 377 NE ARG A 45 49.195 1.928 -11.449 1.00 23.96 N ATOM 378 CZ ARG A 45 48.395 2.881 -10.958 1.00 31.57 C ATOM 379 NH1 ARG A 45 47.331 3.302 -11.655 1.00 37.49 N ATOM 380 NH2 ARG A 45 48.681 3.437 -9.771 1.00 23.56 N ATOM 381 N PHE A 46 53.926 3.655 -14.871 1.00 10.80 N ATOM 382 CA PHE A 46 54.287 5.026 -15.263 1.00 10.21 C ATOM 383 C PHE A 46 55.577 5.140 -16.060 1.00 10.97 C ATOM 384 O PHE A 46 55.871 6.213 -16.567 1.00 11.25 O ATOM 385 CB PHE A 46 54.358 5.914 -14.029 1.00 10.32 C ATOM 386 CG PHE A 46 53.096 5.893 -13.215 1.00 10.30 C ATOM 387 CD1 PHE A 46 51.875 6.202 -13.799 1.00 13.69 C ATOM 388 CD2 PHE A 46 53.137 5.541 -11.870 1.00 14.56 C ATOM 389 CE1 PHE A 46 50.693 6.137 -13.051 1.00 13.96 C ATOM 390 CE2 PHE A 46 51.960 5.500 -11.105 1.00 16.16 C ATOM 391 CZ PHE A 46 50.746 5.793 -11.702 1.00 14.90 C ATOM 392 N LYS A 47 56.343 4.059 -16.181 1.00 11.26 N ATOM 393 CA LYS A 47 57.683 4.179 -16.758 1.00 11.52 C ATOM 394 C LYS A 47 57.708 4.513 -18.249 1.00 12.76 C ATOM 395 O LYS A 47 58.750 4.909 -18.766 1.00 13.44 O ATOM 396 CB LYS A 47 58.526 2.937 -16.494 1.00 14.70 C ATOM 397 CG LYS A 47 58.002 1.709 -17.175 1.00 15.57 C ATOM 398 CD LYS A 47 58.890 0.518 -16.748 1.00 23.50 C ATOM 399 CE LYS A 47 58.387 -0.756 -17.354 1.00 29.45 C ATOM 400 NZ LYS A 47 59.059 -1.955 -16.785 1.00 36.55 N ATOM 401 N HIS A 48 56.558 4.420 -18.909 1.00 12.06 N ATOM 402 CA HIS A 48 56.458 4.873 -20.285 1.00 11.90 C ATOM 403 C HIS A 48 56.396 6.394 -20.445 1.00 10.99 C ATOM 404 O HIS A 48 56.573 6.903 -21.565 1.00 13.52 O ATOM 405 CB HIS A 48 55.212 4.242 -20.959 1.00 13.51 C ATOM 406 CG HIS A 48 53.925 4.739 -20.372 1.00 14.85 C ATOM 407 ND1 HIS A 48 53.513 4.425 -19.085 1.00 15.80 N ATOM 408 CD2 HIS A 48 53.035 5.651 -20.836 1.00 17.86 C ATOM 409 CE1 HIS A 48 52.377 5.051 -18.827 1.00 16.60 C ATOM 410 NE2 HIS A 48 52.089 5.837 -19.851 1.00 18.32 N ATOM 411 N LEU A 49 56.115 7.138 -19.377 1.00 11.12 N ATOM 412 CA LEU A 49 55.925 8.577 -19.522 1.00 11.10 C ATOM 413 C LEU A 49 57.249 9.247 -19.901 1.00 10.47 C ATOM 414 O LEU A 49 58.289 8.970 -19.267 1.00 13.39 O ATOM 415 CB LEU A 49 55.372 9.177 -18.211 1.00 11.74 C ATOM 416 CG LEU A 49 53.975 8.651 -17.809 1.00 12.31 C ATOM 417 CD1 LEU A 49 53.641 9.027 -16.395 1.00 13.76 C ATOM 418 CD2 LEU A 49 52.882 9.164 -18.756 1.00 15.80 C ATOM 419 N LYS A 50 57.244 10.075 -20.950 1.00 10.13 N ATOM 420 CA LYS A 50 58.510 10.542 -21.535 1.00 10.82 C ATOM 421 C LYS A 50 58.885 11.960 -21.083 1.00 11.04 C ATOM 422 O LYS A 50 60.071 12.342 -21.164 1.00 14.61 O ATOM 423 CB LYS A 50 58.399 10.536 -23.065 1.00 11.70 C ATOM 424 CG LYS A 50 58.269 9.136 -23.621 1.00 12.06 C ATOM 425 CD LYS A 50 58.213 9.191 -25.144 1.00 11.30 C ATOM 426 CE LYS A 50 57.996 7.832 -25.823 1.00 11.96 C ATOM 427 NZ LYS A 50 59.182 6.952 -25.655 1.00 14.79 N ATOM 428 N THR A 51 57.883 12.777 -20.729 1.00 11.33 N ATOM 429 CA THR A 51 58.123 14.204 -20.505 1.00 10.96 C ATOM 430 C THR A 51 57.359 14.674 -19.288 1.00 10.32 C ATOM 431 O THR A 51 56.374 14.034 -18.866 1.00 10.60 O ATOM 432 CB THR A 51 57.653 15.050 -21.689 1.00 11.82 C ATOM 433 OG1 THR A 51 56.247 14.813 -21.889 1.00 11.05 O ATOM 434 CG2 THR A 51 58.418 14.688 -22.982 1.00 13.61 C ATOM 435 N GLU A 52 57.739 15.845 -18.785 1.00 11.29 N ATOM 436 CA GLU A 52 56.967 16.436 -17.695 1.00 11.12 C ATOM 437 C GLU A 52 55.511 16.704 -18.129 1.00 10.10 C ATOM 438 O GLU A 52 54.563 16.497 -17.360 1.00 10.92 O ATOM 439 CB GLU A 52 57.650 17.716 -17.205 1.00 12.26 C ATOM 440 CG GLU A 52 56.789 18.518 -16.258 1.00 17.96 C ATOM 441 CD GLU A 52 57.565 19.606 -15.539 1.00 20.65 C ATOM 442 OE1 GLU A 52 58.754 19.835 -15.881 1.00 24.20 O ATOM 443 OE2 GLU A 52 57.008 20.157 -14.572 1.00 25.12 O ATOM 444 N ALA A 53 55.299 17.114 -19.374 1.00 11.31 N ATOM 445 CA ALA A 53 53.939 17.345 -19.818 1.00 11.32 C ATOM 446 C ALA A 53 53.107 16.084 -19.758 1.00 11.28 C ATOM 447 O ALA A 53 51.950 16.142 -19.303 1.00 11.82 O ATOM 448 CB ALA A 53 53.905 17.957 -21.240 1.00 12.68 C ATOM 449 N GLU A 54 53.677 14.932 -20.180 1.00 10.34 N ATOM 450 CA GLU A 54 52.906 13.697 -20.074 1.00 10.41 C ATOM 451 C GLU A 54 52.645 13.347 -18.617 1.00 9.29 C ATOM 452 O GLU A 54 51.564 12.837 -18.270 1.00 10.94 O ATOM 453 CB GLU A 54 53.649 12.541 -20.751 1.00 11.79 C ATOM 454 CG GLU A 54 53.618 12.707 -22.262 1.00 12.53 C ATOM 455 CD GLU A 54 54.306 11.593 -23.024 1.00 13.90 C ATOM 456 OE1 GLU A 54 54.915 10.695 -22.393 1.00 14.13 O ATOM 457 OE2 GLU A 54 54.132 11.579 -24.270 1.00 13.83 O ATOM 458 N MET A 55 53.643 13.550 -17.762 1.00 8.90 N ATOM 459 CA MET A 55 53.437 13.265 -16.337 1.00 9.84 C ATOM 460 C MET A 55 52.333 14.117 -15.750 1.00 9.95 C ATOM 461 O MET A 55 51.481 13.612 -15.004 1.00 10.47 O ATOM 462 CB MET A 55 54.726 13.486 -15.567 1.00 9.83 C ATOM 463 CG MET A 55 55.816 12.493 -15.959 1.00 10.31 C ATOM 464 SD MET A 55 57.403 12.970 -15.291 1.00 12.48 S ATOM 465 CE MET A 55 58.438 11.788 -16.116 1.00 18.25 C ATOM 466 N LYS A 56 52.320 15.396 -16.101 1.00 9.99 N ATOM 467 CA LYS A 56 51.312 16.299 -15.570 1.00 11.49 C ATOM 468 C LYS A 56 49.918 15.910 -16.040 1.00 12.58 C ATOM 469 O LYS A 56 48.936 16.155 -15.341 1.00 14.43 O ATOM 470 CB LYS A 56 51.609 17.742 -15.994 1.00 12.64 C ATOM 471 CG ALYS A 56 52.664 18.419 -15.150 0.50 13.59 C ATOM 472 CG BLYS A 56 50.688 18.754 -15.419 0.50 15.72 C ATOM 473 CD ALYS A 56 52.897 19.847 -15.624 0.50 20.22 C ATOM 474 CD BLYS A 56 50.898 18.854 -13.919 0.50 16.01 C ATOM 475 CE ALYS A 56 54.005 20.539 -14.851 0.50 20.36 C ATOM 476 CE BLYS A 56 50.238 20.099 -13.383 0.50 23.93 C ATOM 477 NZ ALYS A 56 54.325 21.846 -15.486 0.50 26.93 N ATOM 478 NZ BLYS A 56 50.517 20.149 -11.952 0.50 24.94 N ATOM 479 N ALA A 57 49.832 15.372 -17.257 1.00 12.74 N ATOM 480 CA ALA A 57 48.544 15.059 -17.859 1.00 12.32 C ATOM 481 C ALA A 57 48.026 13.686 -17.419 1.00 12.75 C ATOM 482 O ALA A 57 46.896 13.321 -17.756 1.00 14.39 O ATOM 483 CB ALA A 57 48.675 15.111 -19.415 1.00 14.22 C ATOM 484 N SER A 58 48.827 12.918 -16.680 1.00 11.26 N ATOM 485 CA SER A 58 48.421 11.567 -16.333 1.00 11.99 C ATOM 486 C SER A 58 47.499 11.579 -15.116 1.00 10.09 C ATOM 487 O SER A 58 47.909 11.870 -13.993 1.00 10.33 O ATOM 488 CB SER A 58 49.646 10.724 -15.972 1.00 10.54 C ATOM 489 OG SER A 58 49.223 9.473 -15.446 1.00 11.24 O ATOM 490 N GLU A 59 46.236 11.259 -15.337 1.00 11.62 N ATOM 491 CA GLU A 59 45.291 11.192 -14.247 1.00 11.27 C ATOM 492 C GLU A 59 45.699 10.095 -13.251 1.00 10.65 C ATOM 493 O GLU A 59 45.543 10.264 -12.031 1.00 11.58 O ATOM 494 CB GLU A 59 43.892 10.914 -14.796 1.00 15.73 C ATOM 495 CG GLU A 59 42.842 10.963 -13.682 1.00 23.75 C ATOM 496 CD GLU A 59 42.776 12.306 -12.975 1.00 34.47 C ATOM 497 OE1 GLU A 59 42.400 12.302 -11.776 1.00 43.45 O ATOM 498 OE2 GLU A 59 43.039 13.361 -13.611 1.00 31.60 O ATOM 499 N ASP A 60 46.190 8.954 -13.754 1.00 11.37 N ATOM 500 CA ASP A 60 46.589 7.875 -12.849 1.00 11.67 C ATOM 501 C ASP A 60 47.761 8.309 -12.005 1.00 9.80 C ATOM 502 O ASP A 60 47.851 7.955 -10.837 1.00 10.10 O ATOM 503 CB ASP A 60 46.955 6.611 -13.637 1.00 13.65 C ATOM 504 CG ASP A 60 45.743 5.955 -14.254 1.00 25.06 C ATOM 505 OD1 ASP A 60 44.600 6.337 -13.884 1.00 25.71 O ATOM 506 OD2 ASP A 60 45.855 5.035 -15.086 1.00 32.28 O ATOM 507 N LEU A 61 48.698 9.051 -12.569 1.00 8.49 N ATOM 508 CA LEU A 61 49.849 9.500 -11.771 1.00 8.30 C ATOM 509 C LEU A 61 49.362 10.471 -10.683 1.00 8.73 C ATOM 510 O LEU A 61 49.838 10.428 -9.543 1.00 9.02 O ATOM 511 CB LEU A 61 50.933 10.172 -12.651 1.00 9.51 C ATOM 512 CG LEU A 61 52.218 10.519 -11.893 1.00 9.10 C ATOM 513 CD1 LEU A 61 52.940 9.245 -11.372 1.00 12.79 C ATOM 514 CD2 LEU A 61 53.184 11.307 -12.757 1.00 12.28 C ATOM 515 N LYS A 62 48.415 11.347 -11.008 1.00 8.19 N ATOM 516 CA LYS A 62 47.884 12.285 -10.027 1.00 9.05 C ATOM 517 C LYS A 62 47.222 11.528 -8.879 1.00 7.56 C ATOM 518 O LYS A 62 47.468 11.841 -7.699 1.00 8.47 O ATOM 519 CB LYS A 62 46.878 13.202 -10.719 1.00 10.21 C ATOM 520 CG LYS A 62 46.293 14.234 -9.777 1.00 11.18 C ATOM 521 CD LYS A 62 45.300 15.103 -10.630 1.00 20.37 C ATOM 522 CE LYS A 62 44.797 16.375 -9.990 1.00 32.54 C ATOM 523 NZ LYS A 62 43.830 16.977 -11.010 1.00 38.40 N ATOM 524 N LYS A 63 46.404 10.528 -9.227 1.00 8.23 N ATOM 525 CA LYS A 63 45.744 9.764 -8.162 1.00 10.10 C ATOM 526 C LYS A 63 46.777 9.031 -7.299 1.00 8.65 C ATOM 527 O LYS A 63 46.602 8.903 -6.072 1.00 9.27 O ATOM 528 CB LYS A 63 44.789 8.747 -8.758 1.00 11.64 C ATOM 529 CG LYS A 63 43.497 9.386 -9.308 1.00 15.28 C ATOM 530 CD LYS A 63 42.621 8.306 -9.961 1.00 26.88 C ATOM 531 CE LYS A 63 41.424 8.930 -10.667 1.00 31.47 C ATOM 532 NZ LYS A 63 40.709 7.946 -11.543 1.00 47.65 N ATOM 533 N HIS A 64 47.824 8.535 -7.926 1.00 8.53 N ATOM 534 CA HIS A 64 48.875 7.867 -7.173 1.00 8.43 C ATOM 535 C HIS A 64 49.548 8.838 -6.179 1.00 8.10 C ATOM 536 O HIS A 64 49.788 8.494 -5.012 1.00 8.61 O ATOM 537 CB HIS A 64 49.908 7.226 -8.129 1.00 9.95 C ATOM 538 CG HIS A 64 51.117 6.700 -7.420 1.00 8.30 C ATOM 539 ND1 HIS A 64 51.080 5.591 -6.593 1.00 11.68 N ATOM 540 CD2 HIS A 64 52.385 7.172 -7.362 1.00 10.23 C ATOM 541 CE1 HIS A 64 52.276 5.413 -6.058 1.00 12.09 C ATOM 542 NE2 HIS A 64 53.086 6.348 -6.515 1.00 11.59 N ATOM 543 N GLY A 65 49.907 10.030 -6.642 1.00 7.53 N ATOM 544 CA GLY A 65 50.556 10.989 -5.770 1.00 7.51 C ATOM 545 C GLY A 65 49.694 11.337 -4.584 1.00 7.00 C ATOM 546 O GLY A 65 50.200 11.555 -3.469 1.00 7.19 O ATOM 547 N VAL A 66 48.386 11.376 -4.778 1.00 7.10 N ATOM 548 CA VAL A 66 47.498 11.645 -3.655 1.00 8.22 C ATOM 549 C VAL A 66 47.597 10.520 -2.614 1.00 7.36 C ATOM 550 O VAL A 66 47.646 10.781 -1.403 1.00 7.36 O ATOM 551 CB VAL A 66 46.042 11.742 -4.153 1.00 7.17 C ATOM 552 CG1 VAL A 66 45.088 11.749 -2.948 1.00 9.23 C ATOM 553 CG2 VAL A 66 45.866 13.051 -5.012 1.00 9.41 C ATOM 554 N ARG A 67 47.689 9.272 -3.070 1.00 7.14 N ATOM 555 CA ARG A 67 47.822 8.166 -2.127 1.00 7.82 C ATOM 556 C ARG A 67 49.154 8.248 -1.378 1.00 6.95 C ATOM 557 O ARG A 67 49.192 7.990 -0.171 1.00 8.32 O ATOM 558 CB ARG A 67 47.741 6.798 -2.846 1.00 10.53 C ATOM 559 CG ARG A 67 46.438 6.541 -3.555 1.00 15.15 C ATOM 560 CD ARG A 67 46.460 5.246 -4.411 1.00 20.36 C ATOM 561 NE ARG A 67 45.233 5.177 -5.199 1.00 26.08 N ATOM 562 CZ ARG A 67 45.180 5.228 -6.523 1.00 24.12 C ATOM 563 NH1 ARG A 67 46.293 5.164 -7.262 1.00 22.05 N ATOM 564 NH2 ARG A 67 43.998 5.246 -7.105 1.00 30.99 N ATOM 565 N VAL A 68 50.238 8.527 -2.094 1.00 7.60 N ATOM 566 CA VAL A 68 51.560 8.578 -1.458 1.00 7.33 C ATOM 567 C VAL A 68 51.576 9.666 -0.391 1.00 6.43 C ATOM 568 O VAL A 68 52.001 9.419 0.745 1.00 6.88 O ATOM 569 CB VAL A 68 52.636 8.900 -2.525 1.00 9.08 C ATOM 570 CG1 VAL A 68 54.010 9.151 -1.882 1.00 10.01 C ATOM 571 CG2 VAL A 68 52.731 7.732 -3.514 1.00 9.92 C ATOM 572 N LEU A 69 51.136 10.870 -0.754 1.00 6.20 N ATOM 573 CA LEU A 69 51.230 11.977 0.225 1.00 7.22 C ATOM 574 C LEU A 69 50.240 11.793 1.380 1.00 6.81 C ATOM 575 O LEU A 69 50.522 12.232 2.489 1.00 7.02 O ATOM 576 CB LEU A 69 51.049 13.352 -0.438 1.00 7.06 C ATOM 577 CG LEU A 69 52.182 13.735 -1.389 1.00 37.31 C ATOM 578 CD1 LEU A 69 51.942 15.196 -1.769 1.00 8.87 C ATOM 579 CD2 LEU A 69 53.602 13.514 -0.837 1.00 11.57 C ATOM 580 N THR A 70 49.081 11.170 1.133 1.00 6.60 N ATOM 581 CA THR A 70 48.132 10.939 2.219 1.00 7.02 C ATOM 582 C THR A 70 48.728 9.879 3.190 1.00 6.56 C ATOM 583 O THR A 70 48.622 10.012 4.416 1.00 6.72 O ATOM 584 CB THR A 70 46.778 10.500 1.648 1.00 10.14 C ATOM 585 OG1 THR A 70 46.244 11.568 0.834 1.00 9.54 O ATOM 586 CG2 THR A 70 45.771 10.211 2.806 1.00 10.06 C ATOM 587 N ALA A 71 49.408 8.858 2.660 1.00 6.50 N ATOM 588 CA ALA A 71 50.045 7.859 3.539 1.00 6.59 C ATOM 589 C ALA A 71 51.172 8.522 4.337 1.00 6.77 C ATOM 590 O ALA A 71 51.302 8.291 5.547 1.00 7.50 O ATOM 591 CB ALA A 71 50.627 6.714 2.684 1.00 7.51 C ATOM 592 N LEU A 72 51.981 9.368 3.692 1.00 6.16 N ATOM 593 CA LEU A 72 53.058 10.044 4.412 1.00 7.38 C ATOM 594 C LEU A 72 52.465 10.982 5.466 1.00 6.28 C ATOM 595 O LEU A 72 52.970 11.046 6.574 1.00 7.57 O ATOM 596 CB LEU A 72 53.962 10.792 3.452 1.00 7.71 C ATOM 597 CG LEU A 72 55.101 11.563 4.098 1.00 7.63 C ATOM 598 CD1 LEU A 72 56.029 10.622 4.905 1.00 10.22 C ATOM 599 CD2 LEU A 72 55.876 12.309 2.995 1.00 9.89 C ATOM 600 N GLY A 73 51.421 11.732 5.118 1.00 6.09 N ATOM 601 CA GLY A 73 50.803 12.647 6.069 1.00 7.23 C ATOM 602 C GLY A 73 50.282 11.904 7.279 1.00 7.35 C ATOM 603 O GLY A 73 50.402 12.366 8.405 1.00 7.76 O ATOM 604 N ALA A 74 49.700 10.729 7.071 1.00 7.15 N ATOM 605 CA ALA A 74 49.198 9.948 8.231 1.00 7.91 C ATOM 606 C ALA A 74 50.368 9.526 9.131 1.00 7.44 C ATOM 607 O ALA A 74 50.279 9.548 10.379 1.00 8.34 O ATOM 608 CB ALA A 74 48.420 8.724 7.755 1.00 8.44 C ATOM 609 N ILE A 75 51.485 9.161 8.510 1.00 7.49 N ATOM 610 CA ILE A 75 52.684 8.827 9.277 1.00 7.51 C ATOM 611 C ILE A 75 53.173 10.049 10.060 1.00 8.04 C ATOM 612 O ILE A 75 53.446 9.955 11.266 1.00 8.12 O ATOM 613 CB ILE A 75 53.764 8.270 8.332 1.00 7.72 C ATOM 614 CG1 ILE A 75 53.370 6.840 7.940 1.00 10.24 C ATOM 615 CG2 ILE A 75 55.187 8.315 8.954 1.00 9.71 C ATOM 616 CD1 ILE A 75 54.030 6.362 6.631 1.00 13.40 C ATOM 617 N LEU A 76 53.311 11.188 9.376 1.00 6.54 N ATOM 618 CA LEU A 76 53.822 12.371 10.065 1.00 7.08 C ATOM 619 C LEU A 76 52.912 12.766 11.231 1.00 6.32 C ATOM 620 O LEU A 76 53.387 13.187 12.303 1.00 7.43 O ATOM 621 CB LEU A 76 53.937 13.570 9.077 1.00 7.62 C ATOM 622 CG LEU A 76 54.984 13.338 7.995 1.00 8.33 C ATOM 623 CD1 LEU A 76 54.899 14.499 6.951 1.00 12.47 C ATOM 624 CD2 LEU A 76 56.418 13.197 8.543 1.00 9.41 C ATOM 625 N LYS A 77 51.602 12.646 11.046 1.00 6.74 N ATOM 626 CA LYS A 77 50.667 13.006 12.131 1.00 7.53 C ATOM 627 C LYS A 77 50.769 12.115 13.363 1.00 7.40 C ATOM 628 O LYS A 77 50.373 12.536 14.465 1.00 9.87 O ATOM 629 CB LYS A 77 49.213 13.025 11.620 1.00 8.39 C ATOM 630 CG LYS A 77 49.000 14.194 10.641 1.00 8.17 C ATOM 631 CD LYS A 77 47.657 14.055 9.917 1.00 10.05 C ATOM 632 CE LYS A 77 47.584 15.039 8.738 1.00 9.99 C ATOM 633 NZ LYS A 77 46.200 15.020 8.127 1.00 9.62 N ATOM 634 N LYS A 78 51.346 10.926 13.212 1.00 6.42 N ATOM 635 CA LYS A 78 51.640 10.096 14.381 1.00 7.81 C ATOM 636 C LYS A 78 52.851 10.576 15.181 1.00 7.88 C ATOM 637 O LYS A 78 53.108 10.026 16.275 1.00 7.97 O ATOM 638 CB LYS A 78 51.868 8.625 13.949 1.00 9.62 C ATOM 639 CG LYS A 78 50.579 7.927 13.478 1.00 10.72 C ATOM 640 CD LYS A 78 49.544 7.896 14.613 1.00 17.77 C ATOM 641 CE LYS A 78 48.394 6.939 14.364 1.00 30.12 C ATOM 642 NZ LYS A 78 48.814 5.534 14.664 1.00 38.41 N ATOM 643 N LYS A 79 53.627 11.529 14.645 1.00 7.42 N ATOM 644 CA LYS A 79 54.747 12.100 15.391 1.00 7.64 C ATOM 645 C LYS A 79 55.666 11.020 15.967 1.00 8.08 C ATOM 646 O LYS A 79 56.074 11.049 17.146 1.00 8.51 O ATOM 647 CB LYS A 79 54.249 13.042 16.497 1.00 8.74 C ATOM 648 CG LYS A 79 53.372 14.175 15.953 1.00 8.90 C ATOM 649 CD LYS A 79 53.108 15.255 17.054 1.00 13.55 C ATOM 650 CE LYS A 79 52.365 14.774 18.243 0.50 10.34 C ATOM 651 NZ LYS A 79 51.893 15.990 19.018 0.50 12.36 N ATOM 652 N GLY A 80 56.023 10.074 15.123 1.00 7.68 N ATOM 653 CA GLY A 80 56.957 9.026 15.468 1.00 8.51 C ATOM 654 C GLY A 80 56.315 7.730 15.904 1.00 7.71 C ATOM 655 O GLY A 80 56.986 6.702 15.893 1.00 9.92 O ATOM 656 N HIS A 81 55.036 7.751 16.260 1.00 7.75 N ATOM 657 CA HIS A 81 54.367 6.546 16.745 1.00 8.40 C ATOM 658 C HIS A 81 53.685 5.871 15.544 1.00 8.97 C ATOM 659 O HIS A 81 52.464 5.665 15.509 1.00 9.48 O ATOM 660 CB HIS A 81 53.314 6.912 17.779 1.00 9.22 C ATOM 661 CG HIS A 81 53.907 7.386 19.054 1.00 8.86 C ATOM 662 ND1 HIS A 81 54.112 8.712 19.359 1.00 13.07 N ATOM 663 CD2 HIS A 81 54.335 6.680 20.127 1.00 8.77 C ATOM 664 CE1 HIS A 81 54.648 8.803 20.571 1.00 9.30 C ATOM 665 NE2 HIS A 81 54.767 7.585 21.060 1.00 18.11 N ATOM 666 N HIS A 82 54.483 5.482 14.567 1.00 8.07 N ATOM 667 CA HIS A 82 53.970 5.112 13.250 1.00 8.81 C ATOM 668 C HIS A 82 54.232 3.643 12.913 1.00 10.08 C ATOM 669 O HIS A 82 54.213 3.233 11.759 1.00 10.12 O ATOM 670 CB HIS A 82 54.596 6.013 12.182 1.00 8.82 C ATOM 671 CG HIS A 82 56.094 6.079 12.255 1.00 8.29 C ATOM 672 ND1 HIS A 82 56.797 7.256 12.084 1.00 10.34 N ATOM 673 CD2 HIS A 82 57.024 5.110 12.482 1.00 9.21 C ATOM 674 CE1 HIS A 82 58.092 7.018 12.232 1.00 10.01 C ATOM 675 NE2 HIS A 82 58.258 5.728 12.486 1.00 9.28 N ATOM 676 N GLU A 83 54.416 2.815 13.941 1.00 10.61 N ATOM 677 CA GLU A 83 54.706 1.406 13.722 1.00 12.45 C ATOM 678 C GLU A 83 53.627 0.750 12.875 1.00 12.55 C ATOM 679 O GLU A 83 53.931 -0.013 11.938 1.00 14.58 O ATOM 680 CB GLU A 83 54.844 0.679 15.071 1.00 17.38 C ATOM 681 CG GLU A 83 53.308 1.157 16.022 0.00 26.09 C ATOM 682 CD GLU A 83 53.256 2.864 17.005 1.00 55.36 C ATOM 683 OE1 GLU A 83 54.467 3.179 16.870 1.00 26.17 O ATOM 684 OE2 GLU A 83 52.550 3.176 18.000 1.00 46.23 O ATOM 685 N ALA A 84 52.363 0.979 13.196 1.00 12.13 N ATOM 686 CA ALA A 84 51.289 0.291 12.453 1.00 14.63 C ATOM 687 C ALA A 84 51.240 0.716 10.999 1.00 13.85 C ATOM 688 O ALA A 84 50.977 -0.107 10.104 1.00 17.11 O ATOM 689 CB ALA A 84 49.924 0.502 13.114 1.00 15.49 C ATOM 690 N GLU A 85 51.499 1.988 10.736 1.00 11.88 N ATOM 691 CA GLU A 85 51.457 2.483 9.369 1.00 10.85 C ATOM 692 C GLU A 85 52.670 1.997 8.583 1.00 10.39 C ATOM 693 O GLU A 85 52.581 1.737 7.363 1.00 11.17 O ATOM 694 CB GLU A 85 51.467 4.021 9.402 1.00 13.78 C ATOM 695 CG GLU A 85 50.195 4.636 9.944 1.00 14.15 C ATOM 696 CD GLU A 85 50.017 4.623 11.463 1.00 15.01 C ATOM 697 OE1 GLU A 85 50.962 4.326 12.202 1.00 15.10 O ATOM 698 OE2 GLU A 85 48.887 4.917 11.912 1.00 19.84 O ATOM 699 N LEU A 86 53.822 1.906 9.238 1.00 11.11 N ATOM 700 CA LEU A 86 55.027 1.464 8.510 1.00 12.09 C ATOM 701 C LEU A 86 55.065 0.009 8.110 1.00 11.68 C ATOM 702 O LEU A 86 55.743 -0.319 7.123 1.00 12.48 O ATOM 703 CB LEU A 86 56.305 1.757 9.286 1.00 15.44 C ATOM 704 CG LEU A 86 56.753 3.198 9.388 1.00 23.04 C ATOM 705 CD1 LEU A 86 58.248 3.243 9.737 1.00 21.47 C ATOM 706 CD2 LEU A 86 56.479 4.007 8.147 1.00 24.51 C ATOM 707 N LYS A 87 54.400 -0.864 8.866 1.00 12.36 N ATOM 708 CA LYS A 87 54.472 -2.295 8.564 1.00 12.77 C ATOM 709 C LYS A 87 54.059 -2.618 7.154 1.00 11.12 C ATOM 710 O LYS A 87 54.848 -3.202 6.426 1.00 11.61 O ATOM 711 CB LYS A 87 53.648 -3.146 9.550 1.00 16.65 C ATOM 712 CG LYS A 87 54.389 -3.485 10.755 1.00 21.68 C ATOM 713 CD LYS A 87 53.550 -4.491 11.575 1.00 21.76 C ATOM 714 CE LYS A 87 54.042 -4.520 12.977 1.00 34.50 C ATOM 715 NZ LYS A 87 53.126 -5.406 13.722 1.00 40.22 N ATOM 716 N PRO A 88 52.839 -2.271 6.747 1.00 9.95 N ATOM 717 CA PRO A 88 52.415 -2.640 5.393 1.00 11.70 C ATOM 718 C PRO A 88 53.182 -1.852 4.357 1.00 10.14 C ATOM 719 O PRO A 88 53.505 -2.390 3.300 1.00 10.91 O ATOM 720 CB PRO A 88 50.907 -2.328 5.386 1.00 13.15 C ATOM 721 CG PRO A 88 50.724 -1.279 6.496 1.00 13.20 C ATOM 722 CD PRO A 88 51.737 -1.679 7.544 1.00 11.71 C ATOM 723 N LEU A 89 53.492 -0.589 4.652 1.00 9.12 N ATOM 724 CA LEU A 89 54.240 0.220 3.684 1.00 8.50 C ATOM 725 C LEU A 89 55.604 -0.403 3.437 1.00 7.66 C ATOM 726 O LEU A 89 56.017 -0.540 2.278 1.00 9.34 O ATOM 727 CB LEU A 89 54.353 1.648 4.243 1.00 10.98 C ATOM 728 CG LEU A 89 54.978 2.625 3.275 1.00 12.22 C ATOM 729 CD1ALEU A 89 53.861 3.091 2.347 0.50 12.03 C ATOM 730 CD1BLEU A 89 56.505 2.638 3.204 0.50 19.91 C ATOM 731 CD2ALEU A 89 55.345 3.944 4.067 0.50 9.67 C ATOM 732 CD2BLEU A 89 53.858 2.544 1.858 0.50 27.49 C ATOM 733 N ALA A 90 56.305 -0.823 4.505 1.00 8.40 N ATOM 734 CA ALA A 90 57.632 -1.409 4.331 1.00 8.43 C ATOM 735 C ALA A 90 57.533 -2.762 3.627 1.00 8.08 C ATOM 736 O ALA A 90 58.356 -3.068 2.770 1.00 8.56 O ATOM 737 CB ALA A 90 58.293 -1.595 5.682 1.00 10.63 C ATOM 738 N GLN A 91 56.553 -3.590 3.963 1.00 8.56 N ATOM 739 CA GLN A 91 56.502 -4.896 3.305 1.00 7.85 C ATOM 740 C GLN A 91 56.249 -4.697 1.818 1.00 8.19 C ATOM 741 O GLN A 91 56.865 -5.348 0.971 1.00 10.39 O ATOM 742 CB GLN A 91 55.430 -5.802 3.932 1.00 8.83 C ATOM 743 CG GLN A 91 55.433 -7.171 3.243 1.00 9.82 C ATOM 744 CD GLN A 91 54.369 -8.131 3.807 1.00 9.77 C ATOM 745 OE1 GLN A 91 53.232 -7.720 4.059 1.00 13.58 O ATOM 746 NE2 GLN A 91 54.713 -9.410 3.924 1.00 9.10 N ATOM 747 N ASP A 92 55.329 -3.786 1.480 1.00 8.95 N ATOM 748 CA ASP A 92 55.016 -3.562 0.076 1.00 9.39 C ATOM 749 C ASP A 92 56.268 -3.009 -0.648 1.00 8.77 C ATOM 750 O ASP A 92 56.634 -3.460 -1.745 1.00 9.94 O ATOM 751 CB ASP A 92 53.925 -2.456 -0.069 1.00 11.64 C ATOM 752 CG ASP A 92 52.541 -2.902 0.344 1.00 17.08 C ATOM 753 OD1 ASP A 92 52.269 -4.127 0.433 1.00 23.69 O ATOM 754 OD2 ASP A 92 51.609 -2.046 0.509 1.00 19.64 O ATOM 755 N HIS A 93 56.907 -2.013 -0.053 1.00 7.97 N ATOM 756 CA HIS A 93 58.055 -1.399 -0.726 1.00 8.78 C ATOM 757 C HIS A 93 59.300 -2.284 -0.785 1.00 9.69 C ATOM 758 O HIS A 93 60.041 -2.235 -1.751 1.00 10.75 O ATOM 759 CB HIS A 93 58.334 0.007 -0.171 1.00 8.54 C ATOM 760 CG HIS A 93 57.345 1.019 -0.653 1.00 7.34 C ATOM 761 ND1 HIS A 93 56.052 1.030 -0.196 1.00 9.55 N ATOM 762 CD2 HIS A 93 57.421 1.977 -1.615 1.00 9.21 C ATOM 763 CE1 HIS A 93 55.379 1.996 -0.822 1.00 9.16 C ATOM 764 NE2 HIS A 93 56.177 2.562 -1.711 1.00 8.73 N ATOM 765 N ALA A 94 59.464 -3.182 0.181 1.00 9.11 N ATOM 766 CA ALA A 94 60.584 -4.120 0.128 1.00 9.08 C ATOM 767 C ALA A 94 60.302 -5.235 -0.892 1.00 10.98 C ATOM 768 O ALA A 94 61.139 -5.543 -1.727 1.00 13.77 O ATOM 769 CB ALA A 94 60.803 -4.730 1.513 1.00 10.41 C ATOM 770 N THR A 95 59.136 -5.859 -0.787 1.00 9.71 N ATOM 771 CA THR A 95 58.938 -7.157 -1.441 1.00 9.71 C ATOM 772 C THR A 95 58.129 -7.084 -2.699 1.00 12.24 C ATOM 773 O THR A 95 58.368 -7.861 -3.613 1.00 16.26 O ATOM 774 CB THR A 95 58.288 -8.108 -0.408 1.00 10.51 C ATOM 775 OG1 THR A 95 59.152 -8.150 0.736 1.00 15.50 O ATOM 776 CG2 THR A 95 58.120 -9.590 -0.946 1.00 11.45 C ATOM 777 N LYS A 96 57.200 -6.150 -2.784 1.00 11.02 N ATOM 778 CA LYS A 96 56.479 -5.962 -4.040 1.00 13.90 C ATOM 779 C LYS A 96 57.217 -5.003 -4.976 1.00 15.02 C ATOM 780 O LYS A 96 57.472 -5.330 -6.156 1.00 18.99 O ATOM 781 CB LYS A 96 55.057 -5.460 -3.779 1.00 18.85 C ATOM 782 CG LYS A 96 54.211 -5.481 -5.035 1.00 22.35 C ATOM 783 CD LYS A 96 52.748 -5.133 -4.782 1.00 28.98 C ATOM 784 CE LYS A 96 52.011 -4.998 -6.123 1.00 35.03 C ATOM 785 NZ LYS A 96 50.703 -4.285 -5.989 1.00 45.50 N ATOM 786 N HIS A 97 57.629 -3.839 -4.465 1.00 12.49 N ATOM 787 CA HIS A 97 58.211 -2.805 -5.344 1.00 12.71 C ATOM 788 C HIS A 97 59.747 -2.799 -5.436 1.00 13.82 C ATOM 789 O HIS A 97 60.293 -2.283 -6.404 1.00 14.68 O ATOM 790 CB HIS A 97 57.683 -1.419 -4.959 1.00 11.93 C ATOM 791 CG HIS A 97 56.200 -1.370 -4.779 1.00 11.31 C ATOM 792 ND1 HIS A 97 55.318 -1.915 -5.690 1.00 13.36 N ATOM 793 CD2 HIS A 97 55.445 -0.860 -3.771 1.00 11.49 C ATOM 794 CE1 HIS A 97 54.075 -1.697 -5.276 1.00 14.43 C ATOM 795 NE2 HIS A 97 54.126 -1.050 -4.120 1.00 12.84 N ATOM 796 N LYS A 98 60.426 -3.326 -4.414 1.00 13.60 N ATOM 797 CA LYS A 98 61.901 -3.380 -4.341 1.00 14.07 C ATOM 798 C LYS A 98 62.487 -1.986 -4.431 1.00 13.26 C ATOM 799 O LYS A 98 63.298 -1.670 -5.324 1.00 14.22 O ATOM 800 CB LYS A 98 62.504 -4.304 -5.391 1.00 18.41 C ATOM 801 CG LYS A 98 61.943 -5.708 -5.363 1.00 30.74 C ATOM 802 CD LYS A 98 61.454 -6.436 -4.578 0.00 34.09 C ATOM 803 CE LYS A 98 60.627 -7.964 -5.514 1.00 64.22 C ATOM 804 NZ LYS A 98 62.084 -8.281 -5.435 1.00 57.37 N ATOM 805 N ILE A 99 62.182 -1.179 -3.427 1.00 11.80 N ATOM 806 CA ILE A 99 62.640 0.211 -3.406 1.00 11.60 C ATOM 807 C ILE A 99 63.800 0.356 -2.380 1.00 11.53 C ATOM 808 O ILE A 99 63.590 0.295 -1.157 1.00 12.04 O ATOM 809 CB ILE A 99 61.481 1.168 -3.027 1.00 9.74 C ATOM 810 CG1 ILE A 99 60.271 0.962 -3.971 1.00 10.47 C ATOM 811 CG2 ILE A 99 61.966 2.609 -3.030 1.00 11.22 C ATOM 812 CD1 ILE A 99 60.604 1.004 -5.469 1.00 11.64 C ATOM 813 N PRO A 100 65.013 0.621 -2.860 1.00 12.03 N ATOM 814 CA PRO A 100 66.134 0.765 -1.931 1.00 12.49 C ATOM 815 C PRO A 100 66.037 2.039 -1.102 1.00 13.03 C ATOM 816 O PRO A 100 65.399 3.020 -1.495 1.00 11.59 O ATOM 817 CB PRO A 100 67.368 0.812 -2.837 1.00 15.97 C ATOM 818 CG PRO A 100 66.889 1.030 -4.202 1.00 20.95 C ATOM 819 CD PRO A 100 65.416 0.728 -4.278 1.00 12.81 C ATOM 820 N ILE A 101 66.729 2.039 0.033 1.00 12.47 N ATOM 821 CA ILE A 101 66.760 3.211 0.895 1.00 12.98 C ATOM 822 C ILE A 101 67.259 4.417 0.107 1.00 13.51 C ATOM 823 O ILE A 101 66.753 5.522 0.294 1.00 13.15 O ATOM 824 CB ILE A 101 67.638 2.923 2.149 1.00 14.47 C ATOM 825 CG1 ILE A 101 66.968 1.829 3.014 1.00 15.88 C ATOM 826 CG2 ILE A 101 67.898 4.194 2.961 1.00 16.68 C ATOM 827 CD1 ILE A 101 65.608 2.230 3.575 1.00 19.46 C ATOM 828 N LYS A 102 68.217 4.222 -0.794 1.00 12.30 N ATOM 829 CA LYS A 102 68.763 5.337 -1.560 1.00 12.96 C ATOM 830 C LYS A 102 67.605 6.032 -2.306 1.00 11.20 C ATOM 831 O LYS A 102 67.636 7.248 -2.515 1.00 11.49 O ATOM 832 CB LYS A 102 69.774 4.801 -2.599 1.00 17.43 C ATOM 833 CG LYS A 102 70.182 5.747 -3.700 1.00 29.98 C ATOM 834 CD LYS A 102 71.104 5.049 -4.713 1.00 40.80 C ATOM 835 CE LYS A 102 72.114 4.269 -4.282 0.00 34.50 C ATOM 836 NZ LYS A 102 71.644 3.354 -3.206 0.00 37.38 N ATOM 837 N TYR A 103 66.633 5.265 -2.805 1.00 10.55 N ATOM 838 CA TYR A 103 65.522 5.877 -3.556 1.00 9.24 C ATOM 839 C TYR A 103 64.555 6.573 -2.599 1.00 7.33 C ATOM 840 O TYR A 103 63.972 7.607 -2.959 1.00 8.66 O ATOM 841 CB TYR A 103 64.732 4.867 -4.381 1.00 10.03 C ATOM 842 CG TYR A 103 65.433 4.355 -5.627 1.00 9.51 C ATOM 843 CD1 TYR A 103 66.769 4.692 -5.926 1.00 12.40 C ATOM 844 CD2 TYR A 103 64.734 3.549 -6.525 1.00 11.58 C ATOM 845 CE1 TYR A 103 67.409 4.192 -7.089 1.00 14.36 C ATOM 846 CE2 TYR A 103 65.371 3.053 -7.695 1.00 11.93 C ATOM 847 CZ TYR A 103 66.695 3.383 -7.947 1.00 14.14 C ATOM 848 OH TYR A 103 67.314 2.854 -9.064 1.00 17.91 O ATOM 849 N LEU A 104 64.393 6.081 -1.372 1.00 8.05 N ATOM 850 CA LEU A 104 63.630 6.844 -0.369 1.00 7.93 C ATOM 851 C LEU A 104 64.340 8.138 -0.013 1.00 8.46 C ATOM 852 O LEU A 104 63.662 9.142 0.280 1.00 8.81 O ATOM 853 CB LEU A 104 63.386 6.004 0.876 1.00 10.32 C ATOM 854 CG LEU A 104 62.606 4.700 0.666 1.00 11.05 C ATOM 855 CD1 LEU A 104 62.428 3.977 2.036 1.00 15.24 C ATOM 856 CD2 LEU A 104 61.290 4.977 0.071 1.00 12.79 C ATOM 857 N GLU A 105 65.671 8.157 -0.041 1.00 8.50 N ATOM 858 CA GLU A 105 66.411 9.402 0.143 1.00 9.13 C ATOM 859 C GLU A 105 66.062 10.346 -1.022 1.00 8.07 C ATOM 860 O GLU A 105 65.840 11.526 -0.801 1.00 8.04 O ATOM 861 CB GLU A 105 67.922 9.106 0.188 1.00 10.56 C ATOM 862 CG GLU A 105 68.309 8.383 1.488 1.00 12.62 C ATOM 863 CD GLU A 105 69.745 7.875 1.539 1.00 17.71 C ATOM 864 OE1 GLU A 105 70.462 7.916 0.511 1.00 18.63 O ATOM 865 OE2 GLU A 105 70.106 7.344 2.602 1.00 20.30 O ATOM 866 N PHE A 106 66.053 9.853 -2.261 1.00 7.70 N ATOM 867 CA PHE A 106 65.741 10.702 -3.412 1.00 9.37 C ATOM 868 C PHE A 106 64.333 11.289 -3.297 1.00 8.08 C ATOM 869 O PHE A 106 64.148 12.477 -3.556 1.00 7.71 O ATOM 870 CB PHE A 106 65.800 9.929 -4.734 1.00 8.38 C ATOM 871 CG PHE A 106 67.174 9.420 -5.100 1.00 9.96 C ATOM 872 CD1 PHE A 106 68.327 10.029 -4.625 1.00 12.34 C ATOM 873 CD2 PHE A 106 67.296 8.332 -5.958 1.00 11.31 C ATOM 874 CE1 PHE A 106 69.613 9.563 -5.016 1.00 13.73 C ATOM 875 CE2 PHE A 106 68.564 7.901 -6.388 1.00 12.70 C ATOM 876 CZ PHE A 106 69.705 8.492 -5.867 1.00 14.33 C ATOM 877 N ILE A 107 63.328 10.516 -2.859 1.00 6.75 N ATOM 878 CA ILE A 107 62.008 11.138 -2.758 1.00 7.25 C ATOM 879 C ILE A 107 61.939 12.110 -1.598 1.00 8.49 C ATOM 880 O ILE A 107 61.242 13.126 -1.697 1.00 8.21 O ATOM 881 CB ILE A 107 60.848 10.101 -2.712 1.00 8.34 C ATOM 882 CG1 ILE A 107 59.516 10.795 -3.104 1.00 9.18 C ATOM 883 CG2 ILE A 107 60.699 9.410 -1.335 1.00 9.00 C ATOM 884 CD1 ILE A 107 58.356 9.798 -3.198 1.00 9.83 C ATOM 885 N SER A 108 62.721 11.878 -0.538 1.00 6.97 N ATOM 886 CA SER A 108 62.779 12.832 0.576 1.00 7.42 C ATOM 887 C SER A 108 63.327 14.154 0.046 1.00 7.35 C ATOM 888 O SER A 108 62.853 15.212 0.438 1.00 7.96 O ATOM 889 CB SER A 108 63.653 12.297 1.708 1.00 8.60 C ATOM 890 OG SER A 108 63.058 11.104 2.279 1.00 8.77 O ATOM 891 N GLU A 109 64.378 14.093 -0.758 1.00 7.50 N ATOM 892 CA GLU A 109 64.940 15.287 -1.334 1.00 8.08 C ATOM 893 C GLU A 109 63.931 16.004 -2.215 1.00 7.81 C ATOM 894 O GLU A 109 63.860 17.241 -2.203 1.00 8.04 O ATOM 895 CB GLU A 109 66.195 14.863 -2.130 1.00 10.41 C ATOM 896 CG AGLU A 109 66.808 15.902 -3.057 0.50 8.97 C ATOM 897 CG BGLU A 109 67.308 14.425 -1.166 0.50 11.34 C ATOM 898 CD AGLU A 109 67.894 15.307 -3.954 0.50 16.63 C ATOM 899 CD BGLU A 109 68.359 13.495 -1.763 0.50 18.12 C ATOM 900 OE1AGLU A 109 69.073 15.391 -3.579 0.50 26.62 O ATOM 901 OE1BGLU A 109 69.111 12.858 -0.985 0.50 27.39 O ATOM 902 OE2AGLU A 109 67.578 14.728 -5.011 0.50 14.37 O ATOM 903 OE2BGLU A 109 68.471 13.415 -2.995 0.50 17.90 O ATOM 904 N ALA A 110 63.144 15.258 -2.983 1.00 6.81 N ATOM 905 CA ALA A 110 62.107 15.877 -3.825 1.00 7.03 C ATOM 906 C ALA A 110 61.031 16.543 -2.987 1.00 6.79 C ATOM 907 O ALA A 110 60.550 17.641 -3.343 1.00 7.15 O ATOM 908 CB ALA A 110 61.480 14.827 -4.757 1.00 7.54 C ATOM 909 N ILE A 111 60.618 15.909 -1.886 1.00 5.91 N ATOM 910 CA ILE A 111 59.646 16.528 -0.993 1.00 6.01 C ATOM 911 C ILE A 111 60.195 17.856 -0.457 1.00 5.88 C ATOM 912 O ILE A 111 59.522 18.884 -0.484 1.00 6.36 O ATOM 913 CB ILE A 111 59.284 15.571 0.173 1.00 6.29 C ATOM 914 CG1 ILE A 111 58.493 14.383 -0.341 1.00 7.19 C ATOM 915 CG2 ILE A 111 58.508 16.307 1.262 1.00 10.86 C ATOM 916 CD1 ILE A 111 58.510 13.170 0.620 1.00 8.55 C ATOM 917 N ILE A 112 61.440 17.833 0.036 1.00 6.00 N ATOM 918 CA ILE A 112 62.028 19.044 0.598 1.00 6.72 C ATOM 919 C ILE A 112 62.133 20.122 -0.501 1.00 7.82 C ATOM 920 O ILE A 112 61.857 21.292 -0.254 1.00 7.56 O ATOM 921 CB ILE A 112 63.390 18.701 1.208 1.00 7.61 C ATOM 922 CG1 ILE A 112 63.173 17.952 2.521 1.00 9.89 C ATOM 923 CG2 ILE A 112 64.275 19.941 1.390 1.00 9.26 C ATOM 924 CD1 ILE A 112 64.461 17.315 3.056 1.00 12.85 C ATOM 925 N HIS A 113 62.503 19.738 -1.721 1.00 6.86 N ATOM 926 CA HIS A 113 62.627 20.712 -2.805 1.00 8.29 C ATOM 927 C HIS A 113 61.286 21.381 -3.125 1.00 6.42 C ATOM 928 O HIS A 113 61.220 22.609 -3.261 1.00 7.54 O ATOM 929 CB HIS A 113 63.140 19.999 -4.087 1.00 9.17 C ATOM 930 CG HIS A 113 63.167 20.864 -5.304 1.00 13.34 C ATOM 931 ND1 HIS A 113 64.294 21.554 -5.688 1.00 17.77 N ATOM 932 CD2 HIS A 113 62.192 21.211 -6.180 1.00 15.27 C ATOM 933 CE1 HIS A 113 64.028 22.253 -6.784 1.00 18.88 C ATOM 934 NE2 HIS A 113 62.753 22.084 -7.087 1.00 19.07 N ATOM 935 N VAL A 114 60.226 20.591 -3.232 1.00 6.50 N ATOM 936 CA VAL A 114 58.927 21.155 -3.541 1.00 6.96 C ATOM 937 C VAL A 114 58.389 22.026 -2.404 1.00 6.24 C ATOM 938 O VAL A 114 57.827 23.105 -2.655 1.00 7.64 O ATOM 939 CB VAL A 114 57.943 20.040 -3.922 1.00 6.54 C ATOM 940 CG1 VAL A 114 56.512 20.576 -4.059 1.00 8.30 C ATOM 941 CG2 VAL A 114 58.371 19.428 -5.241 1.00 7.77 C ATOM 942 N LEU A 115 58.536 21.584 -1.155 1.00 6.10 N ATOM 943 CA LEU A 115 58.072 22.416 -0.047 1.00 6.47 C ATOM 944 C LEU A 115 58.870 23.730 0.040 1.00 6.14 C ATOM 945 O LEU A 115 58.316 24.777 0.325 1.00 6.99 O ATOM 946 CB LEU A 115 58.152 21.658 1.272 1.00 7.13 C ATOM 947 CG LEU A 115 57.282 20.395 1.375 1.00 12.09 C ATOM 948 CD1 LEU A 115 57.346 19.773 2.754 1.00 11.56 C ATOM 949 CD2 LEU A 115 55.872 20.664 0.958 1.00 16.54 C ATOM 950 N HIS A 116 60.172 23.659 -0.205 1.00 6.89 N ATOM 951 CA HIS A 116 60.990 24.869 -0.165 1.00 6.71 C ATOM 952 C HIS A 116 60.518 25.857 -1.256 1.00 9.51 C ATOM 953 O HIS A 116 60.453 27.076 -1.036 1.00 9.84 O ATOM 954 CB HIS A 116 62.434 24.441 -0.404 1.00 8.53 C ATOM 955 CG HIS A 116 63.351 25.581 -0.687 1.00 9.53 C ATOM 956 ND1 HIS A 116 64.063 26.243 0.289 1.00 15.86 N ATOM 957 CD2 HIS A 116 63.669 26.165 -1.865 1.00 8.28 C ATOM 958 CE1 HIS A 116 64.757 27.227 -0.273 1.00 10.02 C ATOM 959 NE2 HIS A 116 64.553 27.179 -1.577 1.00 16.59 N ATOM 960 N SER A 117 60.168 25.326 -2.435 1.00 7.16 N ATOM 961 CA SER A 117 59.719 26.155 -3.562 1.00 8.19 C ATOM 962 C SER A 117 58.339 26.750 -3.330 1.00 6.67 C ATOM 963 O SER A 117 58.116 27.954 -3.535 1.00 8.58 O ATOM 964 CB SER A 117 59.638 25.313 -4.825 1.00 8.81 C ATOM 965 OG ASER A 117 59.199 26.129 -5.913 0.50 7.09 O ATOM 966 OG BSER A 117 60.923 24.914 -5.265 0.50 28.70 O ATOM 967 N ARG A 118 57.410 25.932 -2.848 1.00 6.33 N ATOM 968 CA ARG A 118 56.039 26.409 -2.715 1.00 6.39 C ATOM 969 C ARG A 118 55.752 27.152 -1.442 1.00 6.81 C ATOM 970 O ARG A 118 54.831 27.974 -1.450 1.00 7.04 O ATOM 971 CB ARG A 118 55.060 25.222 -2.779 1.00 7.78 C ATOM 972 CG ARG A 118 54.918 24.610 -4.188 1.00 9.27 C ATOM 973 CD ARG A 118 54.003 23.413 -4.139 1.00 11.19 C ATOM 974 NE AARG A 118 52.646 23.856 -4.266 0.50 9.02 N ATOM 975 NE BARG A 118 53.334 22.917 -5.321 0.50 10.84 N ATOM 976 CZ AARG A 118 51.719 23.383 -5.108 0.50 12.54 C ATOM 977 CZ BARG A 118 52.023 22.976 -5.571 0.50 12.00 C ATOM 978 NH1AARG A 118 52.006 22.529 -6.084 0.50 12.55 N ATOM 979 NH1BARG A 118 51.553 22.375 -6.651 0.50 13.81 N ATOM 980 NH2AARG A 118 50.489 23.814 -4.998 0.50 11.59 N ATOM 981 NH2BARG A 118 51.193 23.673 -4.797 0.50 12.60 N ATOM 982 N HIS A 119 56.446 26.815 -0.348 1.00 6.78 N ATOM 983 CA HIS A 119 56.012 27.257 0.991 1.00 7.09 C ATOM 984 C HIS A 119 57.081 27.995 1.772 1.00 7.36 C ATOM 985 O HIS A 119 57.365 27.653 2.922 1.00 7.24 O ATOM 986 CB HIS A 119 55.498 26.042 1.781 1.00 6.96 C ATOM 987 CG HIS A 119 54.244 25.496 1.186 1.00 6.71 C ATOM 988 ND1 HIS A 119 53.116 26.272 1.034 1.00 7.49 N ATOM 989 CD2 HIS A 119 53.998 24.329 0.551 1.00 7.40 C ATOM 990 CE1 HIS A 119 52.213 25.589 0.339 1.00 7.95 C ATOM 991 NE2 HIS A 119 52.728 24.402 0.034 1.00 7.73 N ATOM 992 N PRO A 120 57.698 29.036 1.210 1.00 6.74 N ATOM 993 CA PRO A 120 58.688 29.775 1.989 1.00 8.50 C ATOM 994 C PRO A 120 58.108 30.343 3.283 1.00 8.75 C ATOM 995 O PRO A 120 58.876 30.523 4.216 1.00 10.38 O ATOM 996 CB PRO A 120 59.122 30.890 1.032 1.00 12.47 C ATOM 997 CG PRO A 120 57.995 31.012 -0.040 1.00 14.20 C ATOM 998 CD PRO A 120 57.573 29.565 -0.175 1.00 23.43 C ATOM 999 N GLY A 121 56.799 30.565 3.361 1.00 7.76 N ATOM 1000 CA GLY A 121 56.193 31.077 4.577 1.00 7.95 C ATOM 1001 C GLY A 121 56.170 30.049 5.712 1.00 8.10 C ATOM 1002 O GLY A 121 56.014 30.450 6.884 1.00 9.10 O ATOM 1003 N ASN A 122 56.314 28.752 5.408 1.00 7.95 N ATOM 1004 CA ASN A 122 56.283 27.707 6.439 1.00 7.76 C ATOM 1005 C ASN A 122 57.425 26.743 6.225 1.00 7.86 C ATOM 1006 O ASN A 122 57.399 25.642 6.770 1.00 8.77 O ATOM 1007 CB ASN A 122 54.939 26.968 6.391 1.00 8.51 C ATOM 1008 CG ASN A 122 53.815 27.862 6.937 1.00 10.06 C ATOM 1009 OD1 ASN A 122 53.688 28.051 8.180 1.00 12.18 O ATOM 1010 ND2 ASN A 122 53.063 28.490 6.024 1.00 8.46 N ATOM 1011 N PHE A 123 58.422 27.147 5.442 1.00 7.10 N ATOM 1012 CA PHE A 123 59.530 26.234 5.156 1.00 6.88 C ATOM 1013 C PHE A 123 60.833 27.021 5.139 1.00 7.18 C ATOM 1014 O PHE A 123 61.653 26.834 4.257 1.00 8.29 O ATOM 1015 CB PHE A 123 59.301 25.419 3.867 1.00 8.20 C ATOM 1016 CG PHE A 123 59.897 24.022 3.925 1.00 7.07 C ATOM 1017 CD1 PHE A 123 59.362 23.060 4.806 1.00 7.15 C ATOM 1018 CD2 PHE A 123 61.004 23.683 3.145 1.00 6.89 C ATOM 1019 CE1 PHE A 123 59.891 21.772 4.842 1.00 8.50 C ATOM 1020 CE2 PHE A 123 61.516 22.396 3.180 1.00 7.19 C ATOM 1021 CZ PHE A 123 60.945 21.428 4.008 1.00 8.02 C ATOM 1022 N GLY A 124 61.023 27.851 6.178 1.00 9.06 N ATOM 1023 CA GLY A 124 62.335 28.424 6.428 1.00 10.00 C ATOM 1024 C GLY A 124 63.330 27.378 6.937 1.00 8.47 C ATOM 1025 O GLY A 124 63.039 26.174 6.957 1.00 8.48 O ATOM 1026 N ALA A 125 64.491 27.801 7.413 1.00 10.10 N ATOM 1027 CA ALA A 125 65.556 26.870 7.712 1.00 8.46 C ATOM 1028 C ALA A 125 65.138 25.932 8.860 1.00 8.99 C ATOM 1029 O ALA A 125 65.401 24.722 8.811 1.00 9.52 O ATOM 1030 CB ALA A 125 66.837 27.628 8.044 1.00 12.16 C ATOM 1031 N ASP A 126 64.547 26.463 9.921 1.00 9.65 N ATOM 1032 CA ASP A 126 64.165 25.614 11.063 1.00 10.36 C ATOM 1033 C ASP A 126 63.120 24.587 10.638 1.00 8.16 C ATOM 1034 O ASP A 126 63.206 23.416 11.006 1.00 8.49 O ATOM 1035 CB ASP A 126 63.599 26.416 12.224 1.00 11.75 C ATOM 1036 CG ASP A 126 64.656 27.193 12.985 1.00 16.94 C ATOM 1037 OD1 ASP A 126 65.881 26.974 12.801 1.00 17.78 O ATOM 1038 OD2 ASP A 126 64.318 28.059 13.821 1.00 27.60 O ATOM 1039 N ALA A 127 62.142 25.021 9.849 1.00 8.38 N ATOM 1040 CA ALA A 127 61.111 24.084 9.412 1.00 7.28 C ATOM 1041 C ALA A 127 61.698 23.032 8.454 1.00 7.35 C ATOM 1042 O ALA A 127 61.314 21.863 8.524 1.00 8.51 O ATOM 1043 CB ALA A 127 59.993 24.850 8.681 1.00 10.70 C ATOM 1044 N GLN A 128 62.628 23.402 7.569 1.00 7.10 N ATOM 1045 CA GLN A 128 63.219 22.415 6.688 1.00 7.77 C ATOM 1046 C GLN A 128 64.032 21.427 7.525 1.00 6.92 C ATOM 1047 O GLN A 128 64.027 20.230 7.236 1.00 8.26 O ATOM 1048 CB GLN A 128 64.116 23.088 5.634 1.00 8.03 C ATOM 1049 CG GLN A 128 64.811 22.049 4.784 1.00 8.37 C ATOM 1050 CD GLN A 128 65.517 22.668 3.571 1.00 8.36 C ATOM 1051 OE1 GLN A 128 65.095 23.706 3.065 1.00 10.81 O ATOM 1052 NE2 GLN A 128 66.548 21.995 3.085 1.00 10.75 N ATOM 1053 N GLY A 129 64.749 21.909 8.527 1.00 7.05 N ATOM 1054 CA GLY A 129 65.518 21.005 9.398 1.00 9.09 C ATOM 1055 C GLY A 129 64.590 20.017 10.117 1.00 7.88 C ATOM 1056 O GLY A 129 64.898 18.824 10.223 1.00 8.08 O ATOM 1057 N ALA A 130 63.431 20.474 10.567 1.00 6.50 N ATOM 1058 CA ALA A 130 62.472 19.588 11.235 1.00 7.67 C ATOM 1059 C ALA A 130 61.901 18.559 10.246 1.00 6.36 C ATOM 1060 O ALA A 130 61.766 17.371 10.592 1.00 7.20 O ATOM 1061 CB ALA A 130 61.355 20.407 11.860 1.00 8.73 C ATOM 1062 N MET A 131 61.568 18.980 9.023 1.00 6.88 N ATOM 1063 CA MET A 131 61.067 18.026 8.041 1.00 6.24 C ATOM 1064 C MET A 131 62.163 17.025 7.663 1.00 6.90 C ATOM 1065 O MET A 131 61.904 15.825 7.513 1.00 7.09 O ATOM 1066 CB MET A 131 60.570 18.772 6.795 1.00 7.58 C ATOM 1067 CG MET A 131 60.043 17.837 5.658 1.00 7.67 C ATOM 1068 SD MET A 131 58.613 16.853 6.177 1.00 8.42 S ATOM 1069 CE MET A 131 57.379 18.100 6.197 1.00 10.35 C ATOM 1070 N ASN A 132 63.410 17.483 7.526 1.00 6.53 N ATOM 1071 CA ASN A 132 64.482 16.551 7.250 1.00 7.35 C ATOM 1072 C ASN A 132 64.587 15.518 8.382 1.00 7.17 C ATOM 1073 O ASN A 132 64.748 14.333 8.102 1.00 7.94 O ATOM 1074 CB ASN A 132 65.817 17.289 7.118 1.00 9.01 C ATOM 1075 CG ASN A 132 66.952 16.317 6.980 1.00 9.98 C ATOM 1076 OD1 ASN A 132 66.926 15.463 6.081 1.00 11.96 O ATOM 1077 ND2 ASN A 132 67.946 16.428 7.837 1.00 11.96 N ATOM 1078 N LYS A 133 64.481 15.951 9.655 1.00 6.87 N ATOM 1079 CA LYS A 133 64.576 15.011 10.771 1.00 7.80 C ATOM 1080 C LYS A 133 63.428 14.014 10.704 1.00 8.15 C ATOM 1081 O LYS A 133 63.608 12.822 10.980 1.00 7.97 O ATOM 1082 CB LYS A 133 64.481 15.756 12.100 1.00 11.06 C ATOM 1083 CG ALYS A 133 65.204 15.101 13.240 0.50 13.30 C ATOM 1084 CG BLYS A 133 65.723 16.393 12.617 0.50 10.85 C ATOM 1085 CD ALYS A 133 65.387 16.097 14.387 0.50 12.00 C ATOM 1086 CD BLYS A 133 65.571 16.666 14.116 0.50 14.10 C ATOM 1087 CE ALYS A 133 65.641 15.382 15.674 0.50 16.39 C ATOM 1088 CE BLYS A 133 66.822 17.223 14.707 0.50 17.61 C ATOM 1089 NZ ALYS A 133 65.782 16.350 16.793 0.50 19.16 N ATOM 1090 NZ BLYS A 133 66.616 17.537 16.143 0.50 19.69 N ATOM 1091 N ALA A 134 62.210 14.497 10.402 1.00 7.77 N ATOM 1092 CA ALA A 134 61.089 13.607 10.301 1.00 6.75 C ATOM 1093 C ALA A 134 61.231 12.567 9.195 1.00 6.63 C ATOM 1094 O ALA A 134 60.891 11.380 9.391 1.00 7.67 O ATOM 1095 CB ALA A 134 59.772 14.400 10.099 1.00 7.64 C ATOM 1096 N LEU A 135 61.750 12.990 8.033 1.00 7.01 N ATOM 1097 CA LEU A 135 61.935 12.068 6.936 1.00 6.23 C ATOM 1098 C LEU A 135 63.108 11.114 7.214 1.00 7.13 C ATOM 1099 O LEU A 135 63.060 9.929 6.831 1.00 7.81 O ATOM 1100 CB LEU A 135 62.150 12.826 5.633 1.00 8.40 C ATOM 1101 CG LEU A 135 60.919 13.648 5.198 1.00 7.15 C ATOM 1102 CD1 LEU A 135 61.241 14.448 3.956 1.00 9.90 C ATOM 1103 CD2 LEU A 135 59.710 12.749 4.952 1.00 12.66 C ATOM 1104 N GLU A 136 64.143 11.584 7.908 1.00 7.63 N ATOM 1105 CA GLU A 136 65.254 10.724 8.304 1.00 7.16 C ATOM 1106 C GLU A 136 64.750 9.648 9.276 1.00 7.74 C ATOM 1107 O GLU A 136 65.152 8.473 9.174 1.00 8.49 O ATOM 1108 CB GLU A 136 66.383 11.535 8.969 1.00 9.72 C ATOM 1109 CG AGLU A 136 67.300 12.277 7.985 0.50 10.58 C ATOM 1110 CG BGLU A 136 67.558 10.662 9.349 0.50 10.90 C ATOM 1111 CD AGLU A 136 68.378 13.124 8.646 0.50 18.18 C ATOM 1112 CD BGLU A 136 68.773 11.456 9.787 0.50 20.19 C ATOM 1113 OE1AGLU A 136 68.292 13.375 9.865 0.50 23.19 O ATOM 1114 OE1BGLU A 136 69.073 12.492 9.157 0.50 25.08 O ATOM 1115 OE2AGLU A 136 69.278 13.610 7.918 0.50 15.14 O ATOM 1116 OE2BGLU A 136 69.449 11.020 10.735 0.50 28.64 O ATOM 1117 N LEU A 137 63.859 10.016 10.198 1.00 7.14 N ATOM 1118 CA LEU A 137 63.279 9.065 11.153 1.00 8.13 C ATOM 1119 C LEU A 137 62.467 8.022 10.395 1.00 6.53 C ATOM 1120 O LEU A 137 62.587 6.802 10.638 1.00 8.20 O ATOM 1121 CB LEU A 137 62.426 9.812 12.195 1.00 8.75 C ATOM 1122 CG LEU A 137 61.642 8.870 13.117 1.00 8.21 C ATOM 1123 CD1 LEU A 137 62.609 8.050 13.999 1.00 12.43 C ATOM 1124 CD2 LEU A 137 60.666 9.674 13.970 1.00 9.96 C ATOM 1125 N PHE A 138 61.653 8.468 9.432 1.00 7.25 N ATOM 1126 CA PHE A 138 60.860 7.582 8.610 1.00 7.47 C ATOM 1127 C PHE A 138 61.774 6.601 7.876 1.00 6.81 C ATOM 1128 O PHE A 138 61.565 5.381 7.922 1.00 7.91 O ATOM 1129 CB PHE A 138 60.058 8.448 7.599 1.00 8.12 C ATOM 1130 CG PHE A 138 59.520 7.710 6.438 1.00 9.82 C ATOM 1131 CD1 PHE A 138 58.405 6.914 6.577 1.00 11.54 C ATOM 1132 CD2 PHE A 138 60.135 7.803 5.182 1.00 11.20 C ATOM 1133 CE1 PHE A 138 57.865 6.253 5.495 1.00 15.56 C ATOM 1134 CE2 PHE A 138 59.592 7.172 4.094 1.00 15.29 C ATOM 1135 CZ PHE A 138 58.482 6.348 4.256 1.00 16.31 C ATOM 1136 N ARG A 139 62.854 7.098 7.270 1.00 7.27 N ATOM 1137 CA ARG A 139 63.746 6.208 6.530 1.00 7.45 C ATOM 1138 C ARG A 139 64.503 5.253 7.454 1.00 7.98 C ATOM 1139 O ARG A 139 64.741 4.108 7.085 1.00 9.07 O ATOM 1140 CB ARG A 139 64.767 6.990 5.702 1.00 7.69 C ATOM 1141 CG ARG A 139 64.146 7.801 4.559 1.00 8.44 C ATOM 1142 CD ARG A 139 65.174 8.300 3.562 1.00 8.20 C ATOM 1143 NE ARG A 139 66.288 8.990 4.218 1.00 8.83 N ATOM 1144 CZ ARG A 139 66.315 10.284 4.516 1.00 9.08 C ATOM 1145 NH1 ARG A 139 65.276 11.082 4.236 1.00 9.68 N ATOM 1146 NH2 ARG A 139 67.395 10.777 5.119 1.00 11.77 N ATOM 1147 N LYS A 140 64.925 5.735 8.631 1.00 7.71 N ATOM 1148 CA LYS A 140 65.630 4.862 9.588 1.00 8.49 C ATOM 1149 C LYS A 140 64.692 3.731 10.010 1.00 8.13 C ATOM 1150 O LYS A 140 65.094 2.542 10.075 1.00 8.51 O ATOM 1151 CB LYS A 140 66.027 5.684 10.822 1.00 11.10 C ATOM 1152 CG LYS A 140 66.593 4.876 11.974 1.00 17.23 C ATOM 1153 CD LYS A 140 66.810 5.770 13.226 1.00 25.67 C ATOM 1154 CE LYS A 140 67.227 4.913 14.411 1.00 32.78 C ATOM 1155 NZ LYS A 140 68.675 4.591 14.348 1.00 45.80 N ATOM 1156 N ASP A 141 63.435 4.054 10.304 1.00 7.47 N ATOM 1157 CA ASP A 141 62.516 3.005 10.745 1.00 8.34 C ATOM 1158 C ASP A 141 62.136 2.065 9.583 1.00 7.81 C ATOM 1159 O ASP A 141 61.993 0.847 9.778 1.00 9.24 O ATOM 1160 CB ASP A 141 61.275 3.618 11.392 1.00 9.84 C ATOM 1161 CG ASP A 141 61.552 4.188 12.778 1.00 10.91 C ATOM 1162 OD1 ASP A 141 62.697 4.035 13.342 1.00 13.69 O ATOM 1163 OD2 ASP A 141 60.666 4.850 13.401 1.00 13.00 O ATOM 1164 N ILE A 142 61.962 2.590 8.365 1.00 8.28 N ATOM 1165 CA ILE A 142 61.761 1.708 7.202 1.00 8.84 C ATOM 1166 C ILE A 142 62.966 0.793 7.008 1.00 8.22 C ATOM 1167 O ILE A 142 62.789 -0.403 6.759 1.00 9.81 O ATOM 1168 CB ILE A 142 61.521 2.545 5.900 1.00 10.85 C ATOM 1169 CG1 ILE A 142 60.131 3.176 5.932 1.00 12.33 C ATOM 1170 CG2 ILE A 142 61.510 1.600 4.700 1.00 11.57 C ATOM 1171 CD1AILE A 142 58.997 2.234 5.767 0.50 11.48 C ATOM 1172 CD1BILE A 142 59.803 4.118 4.792 0.50 19.20 C ATOM 1173 N ALA A 143 64.187 1.325 7.125 1.00 9.02 N ATOM 1174 CA ALA A 143 65.374 0.505 6.913 1.00 9.09 C ATOM 1175 C ALA A 143 65.410 -0.639 7.941 1.00 9.62 C ATOM 1176 O ALA A 143 65.789 -1.771 7.619 1.00 10.98 O ATOM 1177 CB ALA A 143 66.635 1.355 7.040 1.00 9.51 C ATOM 1178 N ALA A 144 65.009 -0.347 9.170 1.00 8.72 N ATOM 1179 CA ALA A 144 65.011 -1.384 10.216 1.00 9.48 C ATOM 1180 C ALA A 144 63.981 -2.444 9.855 1.00 10.10 C ATOM 1181 O ALA A 144 64.199 -3.660 10.054 1.00 11.04 O ATOM 1182 CB ALA A 144 64.744 -0.799 11.595 1.00 12.14 C ATOM 1183 N LYS A 145 62.824 -2.024 9.352 1.00 9.06 N ATOM 1184 CA LYS A 145 61.793 -2.991 8.971 1.00 9.51 C ATOM 1185 C LYS A 145 62.239 -3.788 7.744 1.00 8.83 C ATOM 1186 O LYS A 145 62.032 -5.006 7.695 1.00 9.36 O ATOM 1187 CB LYS A 145 60.449 -2.289 8.742 1.00 9.94 C ATOM 1188 CG ALYS A 145 59.878 -1.739 9.996 0.50 15.08 C ATOM 1189 CG BLYS A 145 59.268 -3.202 8.618 0.50 7.45 C ATOM 1190 CD ALYS A 145 59.815 -2.829 11.034 0.50 22.12 C ATOM 1191 CD BLYS A 145 58.905 -3.886 9.934 0.50 11.01 C ATOM 1192 CE ALYS A 145 58.456 -3.417 11.067 0.50 9.98 C ATOM 1193 CE BLYS A 145 58.974 -5.388 9.793 0.50 25.69 C ATOM 1194 NZ ALYS A 145 58.255 -4.374 12.187 0.50 11.26 N ATOM 1195 NZ BLYS A 145 59.117 -6.156 9.120 0.50 21.33 N ATOM 1196 N TYR A 146 62.882 -3.131 6.774 1.00 9.01 N ATOM 1197 CA TYR A 146 63.438 -3.856 5.629 1.00 10.02 C ATOM 1198 C TYR A 146 64.324 -5.001 6.106 1.00 11.33 C ATOM 1199 O TYR A 146 64.222 -6.135 5.613 1.00 11.62 O ATOM 1200 CB TYR A 146 64.295 -2.919 4.768 1.00 9.21 C ATOM 1201 CG TYR A 146 63.558 -2.042 3.755 1.00 9.87 C ATOM 1202 CD1 TYR A 146 62.177 -2.035 3.640 1.00 9.96 C ATOM 1203 CD2 TYR A 146 64.282 -1.210 2.928 1.00 11.51 C ATOM 1204 CE1 TYR A 146 61.545 -1.332 2.628 1.00 9.42 C ATOM 1205 CE2 TYR A 146 63.641 -0.462 1.978 1.00 11.46 C ATOM 1206 CZ TYR A 146 62.293 -0.617 1.748 1.00 9.00 C ATOM 1207 OH TYR A 146 61.684 0.050 0.719 1.00 11.41 O ATOM 1208 N LYS A 147 65.190 -4.704 7.074 1.00 10.34 N ATOM 1209 CA LYS A 147 66.134 -5.711 7.560 1.00 12.26 C ATOM 1210 C LYS A 147 65.378 -6.876 8.203 1.00 12.42 C ATOM 1211 O LYS A 147 65.682 -8.054 7.958 1.00 13.52 O ATOM 1212 CB LYS A 147 67.102 -5.078 8.577 1.00 16.48 C ATOM 1213 CG LYS A 147 68.433 -5.970 8.807 0.00 22.78 C ATOM 1214 CD LYS A 147 69.473 -5.321 9.741 0.00 29.47 C ATOM 1215 CE LYS A 147 70.579 -6.368 10.529 1.00 49.39 C ATOM 1216 NZ LYS A 147 70.961 -7.112 9.288 1.00 62.57 N ATOM 1217 N GLU A 148 64.343 -6.560 8.974 1.00 9.80 N ATOM 1218 CA GLU A 148 63.503 -7.621 9.564 1.00 10.58 C ATOM 1219 C GLU A 148 62.849 -8.491 8.491 1.00 10.22 C ATOM 1220 O GLU A 148 62.657 -9.699 8.689 1.00 11.94 O ATOM 1221 CB GLU A 148 62.420 -7.052 10.498 1.00 11.08 C ATOM 1222 CG GLU A 148 62.995 -6.417 11.742 1.00 14.86 C ATOM 1223 CD GLU A 148 61.989 -5.640 12.568 1.00 23.65 C ATOM 1224 OE1 GLU A 148 62.396 -4.969 13.532 1.00 36.37 O ATOM 1225 OE2 GLU A 148 60.811 -5.679 12.261 1.00 27.91 O ATOM 1226 N LEU A 149 62.431 -7.858 7.405 1.00 9.15 N ATOM 1227 CA LEU A 149 61.712 -8.526 6.321 1.00 8.89 C ATOM 1228 C LEU A 149 62.643 -9.281 5.357 1.00 11.02 C ATOM 1229 O LEU A 149 62.174 -9.980 4.448 1.00 13.05 O ATOM 1230 CB LEU A 149 60.966 -7.448 5.514 1.00 10.98 C ATOM 1231 CG LEU A 149 59.812 -6.785 6.260 1.00 9.57 C ATOM 1232 CD1 LEU A 149 59.395 -5.512 5.459 1.00 13.62 C ATOM 1233 CD2 LEU A 149 58.614 -7.726 6.291 1.00 13.27 C ATOM 1234 N GLY A 150 63.950 -9.112 5.508 1.00 10.36 N ATOM 1235 CA GLY A 150 64.894 -9.816 4.654 1.00 13.80 C ATOM 1236 C GLY A 150 65.420 -9.037 3.452 1.00 14.55 C ATOM 1237 O GLY A 150 66.034 -9.618 2.548 1.00 18.94 O ATOM 1238 N TYR A 151 65.128 -7.740 3.397 1.00 11.97 N ATOM 1239 CA TYR A 151 65.490 -6.912 2.257 1.00 12.33 C ATOM 1240 C TYR A 151 66.608 -5.942 2.683 1.00 19.52 C ATOM 1241 O TYR A 151 66.592 -5.616 3.761 0.00 16.08 O ATOM 1242 CB TYR A 151 64.265 -6.116 1.791 1.00 12.30 C ATOM 1243 CG TYR A 151 64.519 -5.214 0.603 1.00 14.51 C ATOM 1244 CD1 TYR A 151 65.080 -5.700 -0.582 1.00 17.57 C ATOM 1245 CD2 TYR A 151 64.177 -3.866 0.651 1.00 13.39 C ATOM 1246 CE1 TYR A 151 65.311 -4.858 -1.689 1.00 19.46 C ATOM 1247 CE2 TYR A 151 64.421 -3.026 -0.442 1.00 14.47 C ATOM 1248 CZ TYR A 151 64.942 -3.528 -1.606 1.00 15.22 C ATOM 1249 OH TYR A 151 65.219 -2.667 -2.648 1.00 19.23 O ATOM 1250 N GLN A 152 67.655 -6.081 1.829 1.00 16.92 N ATOM 1251 CA GLN A 152 68.879 -5.337 2.047 1.00 23.21 C ATOM 1252 C GLN A 152 68.656 -3.837 1.897 1.00 30.32 C ATOM 1253 O GLN A 152 69.287 -3.029 2.581 1.00 32.82 O ATOM 1254 CB GLN A 152 69.943 -6.186 1.891 0.00 32.77 C ATOM 1255 CG GLN A 152 71.226 -5.589 1.367 0.00 43.57 C ATOM 1256 CD GLN A 152 72.359 -6.606 1.480 0.00 52.96 C ATOM 1257 OE1 GLN A 152 72.456 -7.532 0.691 0.00 56.56 O ATOM 1258 NE2 GLN A 152 73.311 -6.614 2.393 0.00 55.33 N ATOM 1259 N GLY A 153 67.775 -3.468 0.974 1.00 34.15 N ATOM 1260 CA GLY A 153 67.488 -2.065 0.706 1.00 24.16 C ATOM 1261 C GLY A 153 68.658 -1.322 0.132 1.00 23.67 C ATOM 1262 O AGLY A 153 68.673 -0.093 0.267 0.50 22.20 O ATOM 1263 O BGLY A 153 69.555 -1.901 -0.512 0.50 20.15 O ATOM 1264 OXT GLY A 153 68.636 -0.093 0.287 1.00 26.73 O TER 1265 GLY A 153 HETATM 1266 C CYN A1155 55.349 5.670 -4.184 1.00 12.65 C HETATM 1267 N CYN A1155 55.294 6.485 -5.042 1.00 9.93 N HETATM 1268 S SO4 A1156 50.801 -8.011 9.954 1.00 21.24 S HETATM 1269 O1 SO4 A1156 52.074 -8.295 10.507 1.00 22.79 O HETATM 1270 O2 SO4 A1156 50.048 -9.259 9.689 1.00 31.15 O HETATM 1271 O3 SO4 A1156 50.039 -7.062 10.779 1.00 26.40 O HETATM 1272 O4 SO4 A1156 50.973 -7.451 8.592 1.00 25.38 O HETATM 1273 FE HEM A1154 55.683 4.137 -2.953 1.00 8.02 FE HETATM 1274 CHA HEM A1154 52.960 2.475 -4.231 1.00 9.23 C HETATM 1275 CHB HEM A1154 53.739 5.367 -0.403 1.00 8.21 C HETATM 1276 CHC HEM A1154 58.310 6.038 -1.858 1.00 7.81 C HETATM 1277 CHD HEM A1154 57.595 3.024 -5.581 1.00 8.91 C HETATM 1278 NA HEM A1154 53.746 3.986 -2.447 1.00 8.53 N HETATM 1279 C1A HEM A1154 52.785 3.245 -3.093 1.00 9.23 C HETATM 1280 C2A HEM A1154 51.541 3.356 -2.350 1.00 8.79 C HETATM 1281 C3A HEM A1154 51.757 4.133 -1.296 1.00 8.19 C HETATM 1282 C4A HEM A1154 53.128 4.554 -1.335 1.00 8.15 C HETATM 1283 CMA HEM A1154 50.711 4.581 -0.269 1.00 10.30 C HETATM 1284 CAA HEM A1154 50.225 2.645 -2.715 1.00 13.13 C HETATM 1285 CBAAHEM A1154 49.262 3.405 -3.593 0.50 16.08 C HETATM 1286 CBABHEM A1154 50.081 1.203 -2.234 0.50 16.70 C HETATM 1287 CGAAHEM A1154 48.038 2.548 -3.868 0.50 15.72 C HETATM 1288 CGABHEM A1154 51.017 0.273 -2.992 0.50 15.54 C HETATM 1289 O1AAHEM A1154 47.846 2.130 -5.044 0.50 17.03 O HETATM 1290 O1ABHEM A1154 51.979 -0.221 -2.334 0.50 17.09 O HETATM 1291 O2AAHEM A1154 47.267 2.263 -2.900 0.50 27.51 O HETATM 1292 O2ABHEM A1154 50.793 0.000 -4.228 0.50 17.73 O HETATM 1293 NB HEM A1154 55.978 5.405 -1.426 1.00 7.78 N HETATM 1294 C1B HEM A1154 55.046 5.778 -0.468 1.00 8.09 C HETATM 1295 C2B HEM A1154 55.662 6.681 0.492 1.00 8.30 C HETATM 1296 C3B HEM A1154 56.922 6.884 0.067 1.00 8.53 C HETATM 1297 C4B HEM A1154 57.147 6.077 -1.128 1.00 7.22 C HETATM 1298 CMB HEM A1154 54.894 7.288 1.662 1.00 9.52 C HETATM 1299 CAB HEM A1154 57.992 7.774 0.642 1.00 9.36 C HETATM 1300 CBB HEM A1154 57.729 8.954 1.176 1.00 11.35 C HETATM 1301 NC HEM A1154 57.609 4.416 -3.553 1.00 7.86 N HETATM 1302 C1C HEM A1154 58.490 5.345 -3.034 1.00 7.41 C HETATM 1303 C2C HEM A1154 59.650 5.424 -3.900 1.00 9.64 C HETATM 1304 C3C HEM A1154 59.458 4.550 -4.914 1.00 9.23 C HETATM 1305 C4C HEM A1154 58.157 3.947 -4.740 1.00 7.67 C HETATM 1306 CMC HEM A1154 60.878 6.307 -3.575 1.00 10.49 C HETATM 1307 CAC HEM A1154 60.267 4.280 -6.179 1.00 10.12 C HETATM 1308 CBC HEM A1154 61.422 4.899 -6.475 1.00 11.69 C HETATM 1309 ND HEM A1154 55.357 2.901 -4.540 1.00 8.52 N HETATM 1310 C1D HEM A1154 56.302 2.588 -5.536 1.00 8.32 C HETATM 1311 C2D HEM A1154 55.710 1.738 -6.524 1.00 10.00 C HETATM 1312 C3D HEM A1154 54.293 1.633 -6.158 1.00 9.54 C HETATM 1313 C4D HEM A1154 54.134 2.370 -4.924 1.00 8.07 C HETATM 1314 CMD HEM A1154 56.396 1.161 -7.762 1.00 11.83 C HETATM 1315 CAD HEM A1154 53.174 0.947 -6.927 1.00 11.06 C HETATM 1316 CBD HEM A1154 52.540 2.029 -7.839 1.00 12.10 C HETATM 1317 CGD HEM A1154 51.398 1.489 -8.643 1.00 17.24 C HETATM 1318 O1D HEM A1154 51.367 1.669 -9.857 1.00 20.58 O HETATM 1319 O2D HEM A1154 50.514 0.828 -8.113 1.00 28.25 O HETATM 1320 O HOH Z 1 63.421 7.368 17.571 1.00 33.50 O HETATM 1321 O HOH Z 2 46.273 -8.945 13.513 1.00 51.44 O HETATM 1322 O HOH Z 3 47.169 -5.520 4.804 1.00 54.40 O HETATM 1323 O HOH Z 4 45.914 -8.186 8.437 1.00 26.47 O HETATM 1324 O HOH Z 5 63.591 6.076 19.813 1.00 44.59 O HETATM 1325 O HOH Z 6 64.273 15.798 21.210 1.00 39.86 O HETATM 1326 O HOH Z 7 64.978 11.328 16.205 1.00 46.93 O HETATM 1327 O HOH Z 8 55.204 23.110 20.483 1.00 28.02 O HETATM 1328 O HOH Z 9 47.641 26.784 12.716 1.00 44.67 O HETATM 1329 O HOH Z 10 58.883 12.595 19.099 1.00 9.93 O HETATM 1330 O HOH Z 11 60.270 11.254 17.115 1.00 11.56 O HETATM 1331 O HOH Z 12 55.094 25.605 14.835 1.00 28.70 O HETATM 1332 O HOH Z 13 55.741 25.059 18.720 1.00 37.10 O HETATM 1333 O HOH Z 14 59.342 26.270 16.645 1.00 41.37 O HETATM 1334 O HOH Z 15 57.030 22.625 22.274 1.00 34.47 O HETATM 1335 O HOH Z 16 62.560 22.305 19.958 1.00 35.98 O HETATM 1336 O HOH Z 17 48.882 22.814 11.725 1.00 51.54 O HETATM 1337 O HOH Z 18 52.428 21.742 20.739 1.00 25.96 O HETATM 1338 O HOH Z 19 50.413 18.292 20.556 1.00 32.89 O HETATM 1339 O HOH Z 20 47.829 25.482 10.111 1.00 27.42 O HETATM 1340 O HOH Z 21 48.225 18.457 12.147 1.00 36.67 O HETATM 1341 O HOH Z 22 57.261 24.774 16.490 1.00 18.80 O HETATM 1342 O HOH Z 23 59.450 21.135 21.900 1.00 15.86 O HETATM 1343 O HOH Z 24 65.225 20.129 13.570 1.00 18.74 O HETATM 1344 O HOH Z 25 61.380 23.615 16.948 1.00 32.66 O HETATM 1345 O HOH Z 26 65.071 22.054 17.305 1.00 33.48 O HETATM 1346 O HOH Z 27 45.553 25.922 -2.874 0.33 20.78 O HETATM 1347 O HOH Z 28 58.176 1.770 -21.142 1.00 34.11 O HETATM 1348 O HOH Z 29 56.228 23.412 -19.990 1.00 60.22 O HETATM 1349 O HOH Z 30 49.474 21.267 14.195 1.00 42.75 O HETATM 1350 O HOH Z 31 48.908 19.155 17.062 1.00 38.87 O HETATM 1351 O HOH Z 32 46.816 3.273 4.676 1.00 50.86 O HETATM 1352 O HOH Z 33 60.576 19.192 -11.407 1.00 21.64 O HETATM 1353 O HOH Z 34 58.906 21.463 -8.276 1.00 30.45 O HETATM 1354 O HOH Z 35 45.670 13.068 13.469 1.00 41.59 O HETATM 1355 O HOH Z 36 50.804 6.995 21.499 1.00 34.86 O HETATM 1356 O HOH Z 37 49.267 18.820 9.638 1.00 23.13 O HETATM 1357 O HOH Z 38 47.728 -0.803 4.563 1.00 52.07 O HETATM 1358 O HOH Z 39 50.200 25.985 9.071 1.00 24.20 O HETATM 1359 O HOH Z 40 64.926 12.771 -17.571 1.00 43.69 O HETATM 1360 O HOH Z 41 66.001 16.914 -16.880 1.00 40.95 O HETATM 1361 O HOH Z 42 64.236 -0.721 -11.966 1.00 43.82 O HETATM 1362 O HOH Z 43 62.991 9.030 -17.641 1.00 27.19 O HETATM 1363 O HOH Z 44 45.938 24.941 3.910 1.00 25.67 O HETATM 1364 O HOH Z 45 60.131 -3.404 -10.754 1.00 47.96 O HETATM 1365 O HOH Z 46 57.545 29.001 14.129 1.00 44.12 O HETATM 1366 O HOH Z 47 53.240 29.497 13.365 1.00 48.78 O HETATM 1367 O HOH Z 48 49.010 29.090 9.234 1.00 31.65 O HETATM 1368 O HOH Z 49 48.305 24.420 -0.859 0.33 44.53 O HETATM 1369 O HOH Z 50 46.013 25.928 7.448 1.00 28.50 O HETATM 1370 O HOH Z 51 52.321 -2.377 -10.949 1.00 48.87 O HETATM 1371 O HOH Z 52 55.898 0.540 -20.216 1.00 32.68 O HETATM 1372 O HOH Z 53 57.732 3.085 -23.606 1.00 40.38 O HETATM 1373 O HOH Z 54 46.675 18.723 8.902 1.00 26.72 O HETATM 1374 O HOH Z 55 47.910 14.460 4.255 1.00 9.42 O HETATM 1375 O HOH Z 56 44.230 18.127 -0.232 1.00 8.20 O HETATM 1376 O HOH Z 57 60.978 4.456 -28.095 1.00 54.44 O HETATM 1377 O HOH Z 58 64.658 10.841 -21.259 1.00 44.00 O HETATM 1378 O HOH Z 59 56.332 20.799 -20.460 1.00 31.06 O HETATM 1379 O HOH Z 60 42.940 24.713 -2.713 1.00 17.51 O HETATM 1380 O HOH Z 61 49.687 17.603 -22.279 1.00 33.72 O HETATM 1381 O HOH Z 62 48.106 18.634 -18.334 1.00 32.91 O HETATM 1382 O HOH Z 63 51.881 20.684 -19.363 1.00 27.54 O HETATM 1383 O HOH Z 64 51.456 9.340 -22.519 1.00 42.86 O HETATM 1384 O HOH Z 65 47.201 21.925 -8.649 1.00 24.60 O HETATM 1385 O HOH Z 66 43.204 19.431 -4.948 1.00 12.05 O HETATM 1386 O HOH Z 67 43.794 23.402 -7.067 0.33 45.67 O HETATM 1387 O HOH Z 68 46.484 25.504 -5.983 0.33 64.67 O HETATM 1388 O HOH Z 69 45.244 19.919 -8.117 1.00 33.61 O HETATM 1389 O HOH Z 70 41.601 19.733 -7.188 1.00 24.42 O HETATM 1390 O HOH Z 71 41.252 16.655 -7.334 1.00 29.41 O HETATM 1391 O HOH Z 72 44.641 8.291 -0.121 1.00 38.37 O HETATM 1392 O HOH Z 73 47.759 4.484 2.974 1.00 44.07 O HETATM 1393 O HOH Z 74 46.416 6.742 3.703 1.00 37.01 O HETATM 1394 O HOH Z 75 46.368 18.228 -13.364 1.00 48.78 O HETATM 1395 O HOH Z 76 46.685 19.435 -10.163 1.00 27.90 O HETATM 1396 O HOH Z 77 45.787 10.462 9.787 1.00 16.63 O HETATM 1397 O HOH Z 78 47.076 10.596 13.834 1.00 29.82 O HETATM 1398 O HOH Z 79 47.549 5.597 6.030 1.00 29.31 O HETATM 1399 O HOH Z 80 56.861 22.806 -6.876 1.00 22.43 O HETATM 1400 O HOH Z 81 53.850 24.238 -8.621 1.00 30.22 O HETATM 1401 O HOH Z 82 58.155 19.369 -9.983 1.00 14.20 O HETATM 1402 O HOH Z 83 53.404 19.315 -11.452 1.00 25.80 O HETATM 1403 O HOH Z 84 54.864 22.204 -11.745 1.00 46.21 O HETATM 1404 O HOH Z 85 44.023 12.099 10.982 1.00 30.64 O HETATM 1405 O HOH Z 86 49.936 7.632 18.961 1.00 31.02 O HETATM 1406 O HOH Z 87 47.568 16.181 13.346 1.00 32.27 O HETATM 1407 O HOH Z 88 48.333 13.878 18.078 1.00 38.71 O HETATM 1408 O HOH Z 89 46.976 9.992 16.498 1.00 52.81 O HETATM 1409 O HOH Z 90 49.327 13.174 22.785 1.00 42.53 O HETATM 1410 O HOH Z 91 46.914 -1.577 11.681 1.00 41.16 O HETATM 1411 O HOH Z 92 62.350 20.964 -10.684 1.00 32.49 O HETATM 1412 O HOH Z 93 65.524 23.544 -9.411 1.00 50.34 O HETATM 1413 O HOH Z 94 64.989 16.761 -5.800 1.00 25.05 O HETATM 1414 O HOH Z 95 68.246 21.366 -9.783 1.00 46.11 O HETATM 1415 O HOH Z 96 50.188 3.093 3.295 1.00 33.90 O HETATM 1416 O HOH Z 97 48.225 1.940 6.374 1.00 39.76 O HETATM 1417 O HOH Z 98 51.374 -0.351 16.801 1.00 45.63 O HETATM 1418 O HOH Z 99 62.630 11.294 -16.202 1.00 34.45 O HETATM 1419 O HOH Z 100 50.168 1.184 1.527 0.00 37.54 O HETATM 1420 O HOH Z 101 61.036 13.147 -18.033 1.00 40.46 O HETATM 1421 O HOH Z 102 66.071 14.488 -16.140 1.00 32.11 O HETATM 1422 O HOH Z 103 64.872 14.082 -5.800 1.00 21.10 O HETATM 1423 O HOH Z 104 67.927 17.711 -10.371 1.00 52.08 O HETATM 1424 O HOH Z 105 69.947 15.049 -9.740 1.00 42.08 O HETATM 1425 O HOH Z 106 72.694 8.164 -3.495 1.00 43.51 O HETATM 1426 O HOH Z 107 70.793 5.507 -8.342 1.00 31.85 O HETATM 1427 O HOH Z 108 70.258 9.092 -13.272 1.00 48.33 O HETATM 1428 O HOH Z 109 70.503 9.523 -9.477 1.00 26.41 O HETATM 1429 O HOH Z 110 65.495 1.663 -10.998 1.00 23.20 O HETATM 1430 O HOH Z 111 63.626 6.619 -16.462 1.00 23.46 O HETATM 1431 O HOH Z 112 61.412 4.708 -17.164 1.00 30.74 O HETATM 1432 O HOH Z 113 68.000 5.467 -15.727 1.00 63.17 O HETATM 1433 O HOH Z 114 57.692 30.817 -7.242 1.00 22.66 O HETATM 1434 O HOH Z 115 56.267 29.166 -7.542 1.00 55.29 O HETATM 1435 O HOH Z 116 62.107 33.118 1.610 1.00 30.56 O HETATM 1436 O HOH Z 117 59.861 31.428 -5.935 1.00 23.42 O HETATM 1437 O HOH Z 118 62.148 34.587 2.742 1.00 51.18 O HETATM 1438 O HOH Z 119 65.516 3.940 -19.774 1.00 50.12 O HETATM 1439 O HOH Z 120 62.798 -3.738 -9.639 1.00 41.05 O HETATM 1440 O HOH Z 121 67.022 -2.215 -7.096 1.00 36.39 O HETATM 1441 O HOH Z 122 58.880 -2.040 -8.814 1.00 18.03 O HETATM 1442 O HOH Z 123 55.212 27.728 12.964 1.00 30.71 O HETATM 1443 O HOH Z 124 60.708 28.713 12.759 1.00 40.34 O HETATM 1444 O HOH Z 125 63.705 23.875 15.633 1.00 32.46 O HETATM 1445 O HOH Z 126 58.384 -5.397 -14.958 1.00 48.65 O HETATM 1446 O HOH Z 127 54.971 -0.973 -10.443 1.00 25.87 O HETATM 1447 O HOH Z 128 54.150 1.815 -18.444 1.00 21.49 O HETATM 1448 O HOH Z 129 49.201 5.051 -16.443 1.00 29.62 O HETATM 1449 O HOH Z 130 48.801 -0.318 -10.165 1.00 46.03 O HETATM 1450 O HOH Z 131 45.433 2.061 -8.894 1.00 43.74 O HETATM 1451 O HOH Z 132 46.478 0.453 -15.323 1.00 53.24 O HETATM 1452 O HOH Z 133 69.560 3.239 9.471 1.00 39.03 O HETATM 1453 O HOH Z 134 69.898 2.957 6.201 1.00 36.99 O HETATM 1454 O HOH Z 135 67.238 -0.921 14.673 1.00 34.42 O HETATM 1455 O HOH Z 136 58.417 5.597 -23.247 1.00 22.84 O HETATM 1456 O HOH Z 137 49.404 7.746 -19.503 1.00 39.91 O HETATM 1457 O HOH Z 138 66.946 -6.980 12.076 1.00 42.64 O HETATM 1458 O HOH Z 139 68.035 -2.535 12.387 1.00 28.18 O HETATM 1459 O HOH Z 140 69.929 -1.269 8.190 1.00 42.34 O HETATM 1460 O HOH Z 141 58.629 1.003 12.654 1.00 24.63 O HETATM 1461 O HOH Z 142 60.799 8.193 -19.426 1.00 28.66 O HETATM 1462 O HOH Z 143 60.799 8.424 -27.698 1.00 14.19 O HETATM 1463 O HOH Z 144 58.487 4.621 -26.821 1.00 42.89 O HETATM 1464 O HOH Z 145 62.059 10.389 -20.958 1.00 31.52 O HETATM 1465 O HOH Z 146 62.002 14.322 -20.835 1.00 32.56 O HETATM 1466 O HOH Z 147 59.431 -1.665 15.543 1.00 43.25 O HETATM 1467 O HOH Z 148 55.460 15.178 -24.485 1.00 15.07 O HETATM 1468 O HOH Z 149 68.352 -7.143 -2.585 1.00 43.82 O HETATM 1469 O HOH Z 150 58.134 22.677 -13.600 1.00 55.56 O HETATM 1470 O HOH Z 151 56.320 20.011 -11.871 1.00 23.95 O HETATM 1471 O HOH Z 152 60.352 19.927 -18.050 1.00 49.53 O HETATM 1472 O HOH Z 153 58.611 18.398 -20.915 1.00 35.52 O HETATM 1473 O HOH Z 154 60.458 20.367 -13.851 1.00 48.30 O HETATM 1474 O HOH Z 155 71.924 3.033 0.839 1.00 38.44 O HETATM 1475 O HOH Z 156 50.379 18.418 -19.543 1.00 18.65 O HETATM 1476 O HOH Z 157 51.682 11.844 -25.104 1.00 23.87 O HETATM 1477 O HOH Z 158 49.814 11.505 -19.927 1.00 19.24 O HETATM 1478 O HOH Z 159 56.114 12.671 -25.672 1.00 10.12 O HETATM 1479 O HOH Z 160 49.663 13.831 -12.940 1.00 11.09 O HETATM 1480 O HOH Z 161 51.039 20.524 -9.944 1.00 31.97 O HETATM 1481 O HOH Z 162 46.489 15.120 -14.422 1.00 30.45 O HETATM 1482 O HOH Z 163 44.747 14.664 -18.620 1.00 49.94 O HETATM 1483 O HOH Z 164 47.022 11.337 -20.057 1.00 30.49 O HETATM 1484 O HOH Z 165 49.502 7.498 -16.998 1.00 31.70 O HETATM 1485 O HOH Z 166 41.680 12.912 -9.616 1.00 36.73 O HETATM 1486 O HOH Z 167 45.380 9.907 -17.936 1.00 49.81 O HETATM 1487 O HOH Z 168 42.281 17.377 -15.662 1.00 45.08 O HETATM 1488 O HOH Z 169 46.139 8.156 -16.520 1.00 21.74 O HETATM 1489 O HOH Z 170 46.580 5.630 -10.034 1.00 20.03 O HETATM 1490 O HOH Z 171 43.166 18.020 -8.868 1.00 40.40 O HETATM 1491 O HOH Z 172 49.392 13.741 -6.993 1.00 8.59 O HETATM 1492 O HOH Z 173 43.973 8.792 -5.126 1.00 17.63 O HETATM 1493 O HOH Z 174 43.847 4.056 -10.297 1.00 50.99 O HETATM 1494 O HOH Z 175 47.226 6.345 0.946 1.00 17.30 O HETATM 1495 O HOH Z 176 46.444 14.252 1.943 1.00 8.97 O HETATM 1496 O HOH Z 177 47.187 12.196 5.512 1.00 9.56 O HETATM 1497 O HOH Z 178 45.604 7.836 5.650 1.00 42.52 O HETATM 1498 O HOH Z 179 50.246 5.724 6.377 1.00 12.24 O HETATM 1499 O HOH Z 180 47.726 9.441 11.403 1.00 13.09 O HETATM 1500 O HOH Z 181 45.525 12.188 7.670 1.00 10.76 O HETATM 1501 O HOH Z 182 49.164 14.950 15.114 1.00 22.79 O HETATM 1502 O HOH Z 183 44.749 16.686 9.779 1.00 28.76 O HETATM 1503 O HOH Z 184 49.106 11.622 16.839 1.00 29.14 O HETATM 1504 O HOH Z 185 45.770 4.814 15.184 1.00 46.81 O HETATM 1505 O HOH Z 186 49.886 5.245 17.464 1.00 29.76 O HETATM 1506 O HOH Z 187 50.958 10.055 18.024 1.00 14.66 O HETATM 1507 O HOH Z 188 50.990 15.255 22.057 1.00 35.01 O HETATM 1508 O HOH Z 189 49.816 16.890 17.075 1.00 31.04 O HETATM 1509 O HOH Z 190 50.100 14.068 20.088 1.00 43.67 O HETATM 1510 O HOH Z 191 59.773 6.424 15.657 1.00 14.11 O HETATM 1511 O HOH Z 192 51.151 3.069 14.933 1.00 23.78 O HETATM 1512 O HOH Z 193 56.053 9.935 12.268 1.00 8.93 O HETATM 1513 O HOH Z 194 51.051 3.905 18.919 1.00 49.25 O HETATM 1514 O HOH Z 195 53.895 4.151 20.498 1.00 45.87 O HETATM 1515 O HOH Z 196 56.707 -0.899 11.904 1.00 27.57 O HETATM 1516 O HOH Z 197 49.698 -2.475 10.673 1.00 24.01 O HETATM 1517 O HOH Z 198 47.986 1.068 8.773 1.00 40.95 O HETATM 1518 O HOH Z 199 47.140 6.728 11.048 1.00 22.80 O HETATM 1519 O HOH Z 200 50.841 3.087 5.691 1.00 21.72 O HETATM 1520 O HOH Z 201 51.625 -2.266 14.722 1.00 49.14 O HETATM 1521 O HOH Z 202 51.444 -5.975 5.020 1.00 40.02 O HETATM 1522 O HOH Z 203 51.169 -9.060 2.482 1.00 24.38 O HETATM 1523 O HOH Z 204 50.901 -4.711 2.699 1.00 42.82 O HETATM 1524 O HOH Z 205 52.967 -6.461 0.914 1.00 26.84 O HETATM 1525 O HOH Z 206 52.384 0.577 0.334 1.00 22.92 O HETATM 1526 O HOH Z 207 62.460 -7.713 -2.632 1.00 27.59 O HETATM 1527 O HOH Z 208 56.664 -9.222 -5.349 1.00 26.54 O HETATM 1528 O HOH Z 209 61.790 -9.388 -0.202 1.00 33.54 O HETATM 1529 O HOH Z 210 49.183 -6.684 -6.038 0.00 49.73 O HETATM 1530 O HOH Z 211 48.947 -6.789 -5.884 1.00 60.71 O HETATM 1531 O HOH Z 212 51.324 -2.062 -7.454 1.00 47.71 O HETATM 1532 O HOH Z 213 49.805 -4.949 -9.107 1.00 42.79 O HETATM 1533 O HOH Z 214 55.970 -2.530 -8.425 1.00 24.33 O HETATM 1534 O HOH Z 215 62.900 -11.041 -5.039 1.00 43.92 O HETATM 1535 O HOH Z 216 71.233 1.081 -3.220 1.00 40.40 O HETATM 1536 O HOH Z 217 70.343 2.148 -5.388 1.00 45.23 O HETATM 1537 O HOH Z 218 70.115 2.937 -9.000 1.00 52.18 O HETATM 1538 O HOH Z 219 70.712 10.859 3.206 1.00 49.19 O HETATM 1539 O HOH Z 220 73.069 7.553 0.529 1.00 44.99 O HETATM 1540 O HOH Z 221 70.390 8.627 -2.160 1.00 22.25 O HETATM 1541 O HOH Z 222 68.466 7.214 4.690 1.00 17.21 O HETATM 1542 O HOH Z 223 70.510 17.698 -3.044 1.00 45.02 O HETATM 1543 O HOH Z 224 68.314 12.529 1.399 1.00 37.81 O HETATM 1544 O HOH Z 225 70.906 13.585 -4.620 1.00 41.24 O HETATM 1545 O HOH Z 226 65.967 19.231 -1.884 1.00 25.33 O HETATM 1546 O HOH Z 227 70.918 11.168 -1.900 1.00 32.73 O HETATM 1547 O HOH Z 228 61.406 22.939 -9.657 1.00 46.34 O HETATM 1548 O HOH Z 229 66.364 21.334 -4.185 1.00 31.71 O HETATM 1549 O HOH Z 230 63.457 29.119 -4.416 1.00 40.53 O HETATM 1550 O HOH Z 231 61.939 29.291 -2.089 1.00 29.36 O HETATM 1551 O HOH Z 232 61.378 28.015 1.558 1.00 17.91 O HETATM 1552 O HOH Z 233 63.188 24.565 -4.133 1.00 16.24 O HETATM 1553 O HOH Z 234 56.269 29.311 -5.171 1.00 14.40 O HETATM 1554 O HOH Z 235 59.911 29.987 -3.606 1.00 26.93 O HETATM 1555 O HOH Z 236 57.095 25.553 -7.307 1.00 28.50 O HETATM 1556 O HOH Z 237 51.397 25.863 -3.018 1.00 10.68 O HETATM 1557 O HOH Z 238 53.906 29.326 -3.761 1.00 9.42 O HETATM 1558 O HOH Z 239 49.643 22.522 -8.248 1.00 29.68 O HETATM 1559 O HOH Z 240 48.163 24.251 -5.299 1.00 18.93 O HETATM 1560 O HOH Z 241 61.556 31.275 3.791 1.00 19.83 O HETATM 1561 O HOH Z 242 59.101 31.326 6.862 1.00 13.97 O HETATM 1562 O HOH Z 243 56.963 30.075 9.521 1.00 27.51 O HETATM 1563 O HOH Z 244 54.423 30.454 1.681 1.00 7.74 O HETATM 1564 O HOH Z 245 56.479 25.041 9.298 1.00 10.29 O HETATM 1565 O HOH Z 246 51.332 27.941 9.786 1.00 42.94 O HETATM 1566 O HOH Z 247 53.569 28.264 3.207 1.00 8.91 O HETATM 1567 O HOH Z 248 55.351 27.143 10.324 1.00 18.30 O HETATM 1568 O HOH Z 249 59.200 28.824 8.258 1.00 15.69 O HETATM 1569 O HOH Z 250 64.557 22.692 13.222 1.00 23.52 O HETATM 1570 O HOH Z 251 61.423 27.773 14.884 1.00 33.35 O HETATM 1571 O HOH Z 252 58.557 21.348 8.072 1.00 14.49 O HETATM 1572 O HOH Z 253 68.618 13.477 5.180 1.00 21.24 O HETATM 1573 O HOH Z 254 65.515 13.899 4.325 1.00 14.92 O HETATM 1574 O HOH Z 255 68.525 20.459 15.290 1.00 55.00 O HETATM 1575 O HOH Z 256 65.073 17.033 18.565 1.00 49.63 O HETATM 1576 O HOH Z 257 58.743 9.892 10.772 1.00 14.67 O HETATM 1577 O HOH Z 258 68.941 9.014 12.290 1.00 50.99 O HETATM 1578 O HOH Z 259 68.072 12.495 11.574 1.00 46.86 O HETATM 1579 O HOH Z 260 69.328 16.346 11.690 1.00 55.38 O HETATM 1580 O HOH Z 261 67.791 7.902 8.419 1.00 27.67 O HETATM 1581 O HOH Z 262 71.281 15.035 6.943 1.00 37.31 O HETATM 1582 O HOH Z 263 68.504 13.166 6.405 1.00 29.70 O HETATM 1583 O HOH Z 264 67.905 5.066 6.434 1.00 34.35 O HETATM 1584 O HOH Z 265 69.430 9.266 6.446 1.00 35.66 O HETATM 1585 O HOH Z 266 67.650 1.765 10.694 1.00 16.28 O HETATM 1586 O HOH Z 267 69.360 7.655 15.606 1.00 52.70 O HETATM 1587 O HOH Z 268 63.946 5.688 8.043 1.00 58.68 O HETATM 1588 O HOH Z 269 67.289 1.680 13.515 1.00 29.66 O HETATM 1589 O HOH Z 270 62.750 0.555 14.445 1.00 35.54 O HETATM 1590 O HOH Z 271 64.536 2.203 13.853 1.00 29.93 O HETATM 1591 O HOH Z 272 63.171 4.858 15.896 1.00 28.90 O HETATM 1592 O HOH Z 273 61.118 -0.054 12.270 1.00 19.22 O HETATM 1593 O HOH Z 274 58.864 2.799 14.435 1.00 27.01 O HETATM 1594 O HOH Z 275 68.480 -0.776 10.185 1.00 25.43 O HETATM 1595 O HOH Z 276 65.993 -4.340 12.113 1.00 21.66 O HETATM 1596 O HOH Z 277 56.808 -2.667 13.964 1.00 44.80 O HETATM 1597 O HOH Z 278 58.554 -7.725 9.741 1.00 24.69 O HETATM 1598 O HOH Z 279 56.655 -6.401 11.180 1.00 20.10 O HETATM 1599 O HOH Z 280 64.476 -3.835 14.128 1.00 39.96 O HETATM 1600 O HOH Z 281 59.311 -8.447 12.020 1.00 27.08 O HETATM 1601 O HOH Z 282 61.638 -2.539 13.312 1.00 36.94 O HETATM 1602 O HOH Z 283 62.845 -10.570 11.384 1.00 36.24 O HETATM 1603 O HOH Z 284 64.528 -11.487 1.002 1.00 43.16 O HETATM 1604 O HOH Z 285 66.214 -12.923 2.391 1.00 35.60 O HETATM 1605 O HOH Z 286 66.929 -3.526 -4.557 1.00 30.39 O HETATM 1606 O HOH Z 287 67.904 -8.161 -0.360 1.00 32.87 O HETATM 1607 O HOH Z 288 70.034 1.888 -0.767 1.00 17.55 O HETATM 1608 O HOH Z 289 72.572 -3.023 -3.303 1.00 55.83 O HETATM 1609 O HOH Z 290 50.821 -2.080 -4.362 1.00 51.43 O HETATM 1610 O HOH Z 291 50.148 -2.644 -2.193 1.00 51.61 O HETATM 1611 O HOH Z 292 49.513 0.517 -5.669 1.00 38.49 O HETATM 1612 O HOH Z 293 46.862 3.873 -0.642 1.00 32.45 O HETATM 1613 O HOH Z 294 48.855 4.038 -6.646 1.00 20.32 O HETATM 1614 O HOH Z 295 53.640 1.426 -11.200 1.00 17.80 O HETATM 1615 O HOH Z 296 51.217 -5.270 7.745 1.00 36.31 O HETATM 1616 O HOH Z 297 48.363 -10.203 11.863 1.00 32.94 O HETATM 1617 O HOH Z 298 48.351 -9.048 7.615 1.00 21.24 O HETATM 1618 O HOH Z 299 47.766 -5.991 10.300 1.00 37.96 O HETATM 1619 O HOH Z 300 48.965 -4.263 8.727 1.00 34.22 O HETATM 1620 O HOH Z 301 49.089 -7.553 5.638 1.00 26.07 O HETATM 1621 O HOH Z 302 51.786 -11.203 9.624 1.00 15.04 O CONECT 764 1273 CONECT 1266 1267 1273 CONECT 1267 1266 CONECT 1268 1269 1270 1271 1272 CONECT 1269 1268 CONECT 1270 1268 CONECT 1271 1268 CONECT 1272 1268 CONECT 1273 764 1266 1278 1293 CONECT 1273 1301 1309 CONECT 1274 1279 1313 CONECT 1275 1282 1294 CONECT 1276 1297 1302 CONECT 1277 1305 1310 CONECT 1278 1273 1279 1282 CONECT 1279 1274 1278 1280 CONECT 1280 1279 1281 1284 CONECT 1281 1280 1282 1283 CONECT 1282 1275 1278 1281 CONECT 1283 1281 CONECT 1284 1280 1285 1286 CONECT 1285 1284 1287 CONECT 1286 1284 1288 CONECT 1287 1285 1289 1291 CONECT 1288 1286 1290 1292 CONECT 1289 1287 CONECT 1290 1288 CONECT 1291 1287 CONECT 1292 1288 CONECT 1293 1273 1294 1297 CONECT 1294 1275 1293 1295 CONECT 1295 1294 1296 1298 CONECT 1296 1295 1297 1299 CONECT 1297 1276 1293 1296 CONECT 1298 1295 CONECT 1299 1296 1300 CONECT 1300 1299 CONECT 1301 1273 1302 1305 CONECT 1302 1276 1301 1303 CONECT 1303 1302 1304 1306 CONECT 1304 1303 1305 1307 CONECT 1305 1277 1301 1304 CONECT 1306 1303 CONECT 1307 1304 1308 CONECT 1308 1307 CONECT 1309 1273 1310 1313 CONECT 1310 1277 1309 1311 CONECT 1311 1310 1312 1314 CONECT 1312 1311 1313 1315 CONECT 1313 1274 1309 1312 CONECT 1314 1311 CONECT 1315 1312 1316 CONECT 1316 1315 1317 CONECT 1317 1316 1318 1319 CONECT 1318 1317 CONECT 1319 1317 MASTER 314 0 3 8 0 0 9 6 1620 1 56 12 END