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*** hemo ***elNémo ID: 240504084536303043Job options:ID = 240504084536303043 JOBID = hemo USERID = unknown PRIVAT = 0 NMODES = 10 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER hemo HEADER OXYGEN TRANSPORT 05-SEP-05 2C0K TITLE THE STRUCTURE OF HEMOGLOBIN FROM THE BOTFLY GASTEROPHILUS INTESTINALIS COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMOGLOBIN; COMPND 3 CHAIN: A, B SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GASTEROPHILUS INTESTINALIS; SOURCE 3 ORGANISM_TAXID: 84525 KEYWDS OXYGEN TRANSPORT, GASTEROPHILUS INTESTINALIS HEMOGLOBIN, INSECT KEYWDS 2 HEMOGLOBIN, HEME, IRON, METAL-BINDING EXPDTA X-RAY DIFFRACTION AUTHOR A.PESCE,M.NARDINI,S.DEWILDE,D.HOOGEWIJS,P.ASCENZI,L.MOENS,M.BOLOGNESI REVDAT 4 13-DEC-23 2C0K 1 REMARK REVDAT 3 24-FEB-09 2C0K 1 VERSN REVDAT 2 07-DEC-05 2C0K 1 JRNL REVDAT 1 09-NOV-05 2C0K 0 JRNL AUTH A.PESCE,M.NARDINI,S.DEWILDE,D.HOOGEWIJS,P.ASCENZI,L.MOENS, JRNL AUTH 2 M.BOLOGNESI JRNL TITL MODULATION OF OXYGEN BINDING TO INSECT HEMOGLOBINS: THE JRNL TITL 2 STRUCTURE OF HEMOGLOBIN FROM THE BOTFLY GASTEROPHILUS JRNL TITL 3 INTESTINALIS. JRNL REF PROTEIN SCI. V. 14 3057 2005 JRNL REFN ISSN 0961-8368 JRNL PMID 16260762 JRNL DOI 10.1110/PS.051742605 REMARK 2 REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0005 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 23.85 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 10033 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.193 REMARK 3 R VALUE (WORKING SET) : 0.186 REMARK 3 FREE R VALUE : 0.256 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1125 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.67 REMARK 3 REFLECTION IN BIN (WORKING SET) : 735 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2690 REMARK 3 BIN FREE R VALUE SET COUNT : 73 REMARK 3 BIN FREE R VALUE : 0.3440 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2461 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 90 REMARK 3 SOLVENT ATOMS : 6 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 44.96 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.02000 REMARK 3 B22 (A**2) : 0.02000 REMARK 3 B33 (A**2) : -0.03000 REMARK 3 B12 (A**2) : 0.01000 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): NULL REMARK 3 ESU BASED ON FREE R VALUE (A): 0.348 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.234 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 10.846 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.948 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.913 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2624 ; 0.016 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3560 ; 0.699 ; 2.029 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 297 ; 6.567 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 132 ;36.814 ;24.015 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 457 ;20.648 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 15 ;21.123 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 354 ; 0.067 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 2012 ; 0.007 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 1110 ; 0.240 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1741 ; 0.313 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 46 ; 0.146 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 12 ; 0.299 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 5 ; 0.155 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 1527 ; 0.780 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2398 ; 1.367 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 1262 ; 2.074 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 1158 ; 3.220 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS. REMARK 4 REMARK 4 2C0K COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 05-SEP-05. REMARK 100 THE DEPOSITION ID IS D_1290025527. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 04-FEB-97 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 7.50 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 345 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 11160 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.600 REMARK 200 RESOLUTION RANGE LOW (A) : 27.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.0 REMARK 200 DATA REDUNDANCY : 5.000 REMARK 200 R MERGE (I) : 0.09000 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 7.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 2BK9 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.70 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 4000 25%, 20 MM TRIS PH 7.5, PH REMARK 280 7.50 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+1/3 REMARK 290 3555 -X+Y,-X,Z+2/3 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 48.41500 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 96.83000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 151 REMARK 465 MET B 150 REMARK 465 GLY B 151 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 84 CD CE NZ REMARK 470 GLU A 99 CB CG CD OE1 OE2 REMARK 470 LYS A 123 CG CD CE NZ REMARK 470 MET A 150 C O CB CG SD CE REMARK 470 PHE B 50 CG CD1 CD2 CE1 CE2 CZ REMARK 470 GLU B 55 CB CG CD OE1 OE2 REMARK 470 ARG B 65 NE CZ NH1 NH2 REMARK 470 LYS B 84 CG CD CE NZ REMARK 470 LYS B 85 CG CD CE NZ REMARK 470 LYS B 100 CE NZ REMARK 470 LYS B 101 CE NZ REMARK 470 LYS B 123 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 2 164.85 -48.50 REMARK 500 GLU A 47 0.84 -67.94 REMARK 500 ALA A 148 11.89 -66.59 REMARK 500 LYS B 19 57.23 -143.94 REMARK 500 PRO B 54 0.13 -68.83 REMARK 500 LYS B 101 83.35 -69.13 REMARK 500 ALA B 148 20.00 -68.55 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM A1152 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 97 NE2 REMARK 620 2 HEM A1152 NA 93.5 REMARK 620 3 HEM A1152 NB 89.2 89.2 REMARK 620 4 HEM A1152 NC 82.4 174.3 86.8 REMARK 620 5 HEM A1152 ND 89.8 88.5 177.5 95.4 REMARK 620 6 OXY A1153 O1 170.8 78.9 95.8 105.6 84.9 REMARK 620 7 OXY A1153 O2 158.4 107.7 86.5 76.2 95.2 30.4 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 HEM B1152 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS B 97 NE2 REMARK 620 2 HEM B1152 NA 93.9 REMARK 620 3 HEM B1152 NB 90.9 88.5 REMARK 620 4 HEM B1152 NC 89.1 175.3 87.8 REMARK 620 5 HEM B1152 ND 91.0 89.4 177.2 94.2 REMARK 620 6 OXY B1153 O2 172.3 86.7 81.4 89.9 96.6 REMARK 620 7 OXY B1153 O1 157.2 99.7 107.6 78.7 71.0 29.1 REMARK 620 N 1 2 3 4 5 6 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM A1152 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE OXY A1153 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEM B1152 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE OXY B1153 DBREF 2C0K A 1 151 UNP O96457 O96457_9DIPT 1 151 DBREF 2C0K B 1 151 UNP O96457 O96457_9DIPT 1 151 SEQRES 1 A 151 MET ASN SER GLU GLU VAL ASN ASP ILE LYS ARG THR TRP SEQRES 2 A 151 GLU VAL VAL ALA ALA LYS MET THR GLU ALA GLY VAL GLU SEQRES 3 A 151 MET LEU LYS ARG TYR PHE LYS LYS TYR PRO HIS ASN LEU SEQRES 4 A 151 ASN HIS PHE PRO TRP PHE LYS GLU ILE PRO PHE ASP ASP SEQRES 5 A 151 LEU PRO GLU ASN ALA ARG PHE LYS THR HIS GLY THR ARG SEQRES 6 A 151 ILE LEU ARG GLN VAL ASP GLU GLY VAL LYS ALA LEU SER SEQRES 7 A 151 VAL ASP PHE GLY ASP LYS LYS PHE ASP ASP VAL TRP LYS SEQRES 8 A 151 LYS LEU ALA GLN THR HIS HIS GLU LYS LYS VAL GLU ARG SEQRES 9 A 151 ARG SER TYR ASN GLU LEU LYS ASP ILE ILE ILE GLU VAL SEQRES 10 A 151 VAL CYS SER CYS VAL LYS LEU ASN GLU LYS GLN VAL HIS SEQRES 11 A 151 ALA TYR HIS LYS PHE PHE ASP ARG ALA TYR ASP ILE ALA SEQRES 12 A 151 PHE ALA GLU MET ALA LYS MET GLY SEQRES 1 B 151 MET ASN SER GLU GLU VAL ASN ASP ILE LYS ARG THR TRP SEQRES 2 B 151 GLU VAL VAL ALA ALA LYS MET THR GLU ALA GLY VAL GLU SEQRES 3 B 151 MET LEU LYS ARG TYR PHE LYS LYS TYR PRO HIS ASN LEU SEQRES 4 B 151 ASN HIS PHE PRO TRP PHE LYS GLU ILE PRO PHE ASP ASP SEQRES 5 B 151 LEU PRO GLU ASN ALA ARG PHE LYS THR HIS GLY THR ARG SEQRES 6 B 151 ILE LEU ARG GLN VAL ASP GLU GLY VAL LYS ALA LEU SER SEQRES 7 B 151 VAL ASP PHE GLY ASP LYS LYS PHE ASP ASP VAL TRP LYS SEQRES 8 B 151 LYS LEU ALA GLN THR HIS HIS GLU LYS LYS VAL GLU ARG SEQRES 9 B 151 ARG SER TYR ASN GLU LEU LYS ASP ILE ILE ILE GLU VAL SEQRES 10 B 151 VAL CYS SER CYS VAL LYS LEU ASN GLU LYS GLN VAL HIS SEQRES 11 B 151 ALA TYR HIS LYS PHE PHE ASP ARG ALA TYR ASP ILE ALA SEQRES 12 B 151 PHE ALA GLU MET ALA LYS MET GLY HET HEM A1152 43 HET OXY A1153 2 HET HEM B1152 43 HET OXY B1153 2 HETNAM HEM PROTOPORPHYRIN IX CONTAINING FE HETNAM OXY OXYGEN MOLECULE HETSYN HEM HEME FORMUL 3 HEM 2(C34 H32 FE N4 O4) FORMUL 4 OXY 2(O2) FORMUL 7 HOH *6(H2 O) HELIX 1 1 ASN A 2 ALA A 18 1 17 HELIX 2 2 LYS A 19 TYR A 35 1 17 HELIX 3 3 PRO A 36 HIS A 41 5 6 HELIX 4 4 PHE A 42 GLU A 47 1 6 HELIX 5 5 PRO A 49 GLU A 55 5 7 HELIX 6 6 ASN A 56 ALA A 76 1 21 HELIX 7 7 SER A 78 GLY A 82 5 5 HELIX 8 8 ASP A 83 HIS A 98 1 16 HELIX 9 9 GLU A 103 VAL A 122 1 20 HELIX 10 10 ASN A 125 ALA A 148 1 24 HELIX 11 11 ASN B 2 ALA B 18 1 17 HELIX 12 12 LYS B 19 TYR B 35 1 17 HELIX 13 13 PRO B 36 HIS B 41 5 6 HELIX 14 14 PHE B 42 ILE B 48 1 7 HELIX 15 15 PRO B 49 LEU B 53 5 5 HELIX 16 16 ASN B 56 LEU B 77 1 22 HELIX 17 17 SER B 78 GLY B 82 5 5 HELIX 18 18 LYS B 84 HIS B 98 1 15 HELIX 19 19 GLU B 103 VAL B 122 1 20 HELIX 20 20 ASN B 125 ALA B 148 1 24 LINK NE2 HIS A 97 FE HEM A1152 1555 1555 1.96 LINK FE HEM A1152 O1 OXY A1153 1555 1555 1.85 LINK FE HEM A1152 O2 OXY A1153 1555 1555 2.36 LINK NE2 HIS B 97 FE HEM B1152 1555 1555 2.04 LINK FE HEM B1152 O2 OXY B1153 1555 1555 2.18 LINK FE HEM B1152 O1 OXY B1153 1555 1555 2.47 SITE 1 AC1 15 TYR A 31 HIS A 41 PHE A 42 TRP A 44 SITE 2 AC1 15 ARG A 58 HIS A 62 ARG A 65 ILE A 66 SITE 3 AC1 15 GLN A 69 LEU A 93 HIS A 97 VAL A 102 SITE 4 AC1 15 SER A 106 TYR A 140 OXY A1153 SITE 1 AC2 3 HIS A 62 ILE A 66 HEM A1152 SITE 1 AC3 14 TYR B 31 HIS B 41 PHE B 42 TRP B 44 SITE 2 AC3 14 ARG B 58 HIS B 62 ILE B 66 GLN B 69 SITE 3 AC3 14 HIS B 97 SER B 106 TYR B 107 LEU B 110 SITE 4 AC3 14 TYR B 140 OXY B1153 SITE 1 AC4 4 PHE B 42 HIS B 62 ILE B 66 HEM B1152 CRYST1 47.697 47.697 145.245 90.00 90.00 120.00 P 31 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 0.020966 0.012105 0.000000 0.00000 SCALE2 0.000000 0.024209 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006885 0.00000 MTRIX1 1 -0.178870 0.983870 -0.003480 0.11482 1 MTRIX2 1 0.983870 0.178860 -0.001560 0.07935 1 MTRIX3 1 -0.000910 -0.003700 -0.999990 0.34739 1 ATOM 1 N MET A 1 10.263 -7.566 -4.747 1.00 47.36 N ATOM 2 CA MET A 1 9.077 -7.905 -5.617 1.00 47.69 C ATOM 3 C MET A 1 9.155 -9.333 -6.212 1.00 47.89 C ATOM 4 O MET A 1 10.028 -9.649 -7.048 1.00 48.03 O ATOM 5 CB MET A 1 8.869 -6.852 -6.731 1.00 47.38 C ATOM 6 CG MET A 1 7.608 -7.091 -7.622 1.00 47.57 C ATOM 7 SD MET A 1 5.992 -6.631 -6.851 1.00 51.09 S ATOM 8 CE MET A 1 6.098 -4.849 -6.823 1.00 46.57 C ATOM 9 N ASN A 2 8.229 -10.164 -5.758 1.00 47.66 N ATOM 10 CA ASN A 2 8.058 -11.566 -6.180 1.00 47.92 C ATOM 11 C ASN A 2 8.046 -11.829 -7.684 1.00 48.09 C ATOM 12 O ASN A 2 7.713 -10.959 -8.465 1.00 49.43 O ATOM 13 CB ASN A 2 6.732 -12.052 -5.638 1.00 48.00 C ATOM 14 CG ASN A 2 6.831 -13.287 -5.003 1.00 45.23 C ATOM 15 OD1 ASN A 2 6.195 -14.238 -5.405 1.00 48.13 O ATOM 16 ND2 ASN A 2 7.617 -13.343 -3.949 1.00 42.01 N ATOM 17 N SER A 3 8.207 -13.098 -8.042 1.00 47.56 N ATOM 18 CA SER A 3 7.861 -13.597 -9.382 1.00 47.02 C ATOM 19 C SER A 3 6.306 -13.797 -9.568 1.00 46.84 C ATOM 20 O SER A 3 5.763 -13.554 -10.647 1.00 46.28 O ATOM 21 CB SER A 3 8.625 -14.925 -9.662 1.00 47.39 C ATOM 22 OG SER A 3 8.216 -15.539 -10.885 1.00 45.59 O ATOM 23 N GLU A 4 5.629 -14.255 -8.520 1.00 46.46 N ATOM 24 CA GLU A 4 4.158 -14.347 -8.540 1.00 47.16 C ATOM 25 C GLU A 4 3.488 -12.950 -8.442 1.00 44.97 C ATOM 26 O GLU A 4 2.398 -12.743 -8.961 1.00 45.27 O ATOM 27 CB GLU A 4 3.646 -15.256 -7.405 1.00 47.33 C ATOM 28 CG GLU A 4 4.378 -16.616 -7.292 1.00 50.78 C ATOM 29 CD GLU A 4 3.728 -17.558 -6.260 1.00 51.49 C ATOM 30 OE1 GLU A 4 2.657 -18.149 -6.576 1.00 58.45 O ATOM 31 OE2 GLU A 4 4.291 -17.706 -5.136 1.00 56.30 O ATOM 32 N GLU A 5 4.153 -12.016 -7.769 1.00 42.57 N ATOM 33 CA GLU A 5 3.642 -10.663 -7.646 1.00 41.28 C ATOM 34 C GLU A 5 3.719 -9.868 -9.002 1.00 41.23 C ATOM 35 O GLU A 5 2.779 -9.146 -9.369 1.00 40.43 O ATOM 36 CB GLU A 5 4.367 -9.910 -6.511 1.00 40.93 C ATOM 37 CG GLU A 5 3.856 -10.264 -5.103 1.00 39.04 C ATOM 38 CD GLU A 5 4.793 -9.805 -4.001 1.00 40.10 C ATOM 39 OE1 GLU A 5 4.298 -9.273 -2.956 1.00 39.21 O ATOM 40 OE2 GLU A 5 6.019 -9.961 -4.166 1.00 37.10 O ATOM 41 N VAL A 6 4.823 -10.054 -9.737 1.00 40.86 N ATOM 42 CA VAL A 6 5.008 -9.433 -11.062 1.00 40.00 C ATOM 43 C VAL A 6 3.943 -9.910 -12.043 1.00 40.80 C ATOM 44 O VAL A 6 3.342 -9.104 -12.780 1.00 40.67 O ATOM 45 CB VAL A 6 6.375 -9.784 -11.644 1.00 39.76 C ATOM 46 CG1 VAL A 6 6.500 -9.260 -13.070 1.00 38.67 C ATOM 47 CG2 VAL A 6 7.472 -9.243 -10.774 1.00 38.95 C ATOM 48 N ASN A 7 3.727 -11.219 -12.075 1.00 40.76 N ATOM 49 CA ASN A 7 2.778 -11.796 -12.987 1.00 41.13 C ATOM 50 C ASN A 7 1.316 -11.415 -12.639 1.00 40.60 C ATOM 51 O ASN A 7 0.492 -11.211 -13.525 1.00 40.39 O ATOM 52 CB ASN A 7 2.956 -13.308 -13.054 1.00 41.42 C ATOM 53 CG ASN A 7 2.120 -13.945 -14.139 1.00 44.63 C ATOM 54 OD1 ASN A 7 1.231 -14.750 -13.855 1.00 45.96 O ATOM 55 ND2 ASN A 7 2.391 -13.573 -15.412 1.00 47.14 N ATOM 56 N ASP A 8 1.033 -11.263 -11.354 1.00 40.19 N ATOM 57 CA ASP A 8 -0.297 -10.822 -10.927 1.00 40.43 C ATOM 58 C ASP A 8 -0.599 -9.367 -11.345 1.00 39.58 C ATOM 59 O ASP A 8 -1.730 -9.050 -11.771 1.00 38.39 O ATOM 60 CB ASP A 8 -0.463 -10.988 -9.421 1.00 41.11 C ATOM 61 CG ASP A 8 -0.837 -12.417 -9.025 1.00 42.33 C ATOM 62 OD1 ASP A 8 -1.472 -13.135 -9.855 1.00 39.25 O ATOM 63 OD2 ASP A 8 -0.497 -12.819 -7.884 1.00 44.02 O ATOM 64 N ILE A 9 0.420 -8.499 -11.236 1.00 38.62 N ATOM 65 CA ILE A 9 0.298 -7.121 -11.631 1.00 38.47 C ATOM 66 C ILE A 9 0.106 -6.993 -13.139 1.00 40.23 C ATOM 67 O ILE A 9 -0.700 -6.185 -13.597 1.00 41.66 O ATOM 68 CB ILE A 9 1.507 -6.314 -11.208 1.00 38.50 C ATOM 69 CG1 ILE A 9 1.494 -6.088 -9.690 1.00 36.78 C ATOM 70 CG2 ILE A 9 1.571 -4.936 -12.001 1.00 36.41 C ATOM 71 CD1 ILE A 9 2.724 -5.467 -9.175 1.00 34.63 C ATOM 72 N LYS A 10 0.815 -7.825 -13.908 1.00 41.10 N ATOM 73 CA LYS A 10 0.638 -7.861 -15.375 1.00 41.23 C ATOM 74 C LYS A 10 -0.729 -8.403 -15.800 1.00 41.68 C ATOM 75 O LYS A 10 -1.428 -7.776 -16.599 1.00 42.99 O ATOM 76 CB LYS A 10 1.734 -8.664 -16.031 1.00 41.51 C ATOM 77 CG LYS A 10 3.120 -8.248 -15.623 1.00 41.91 C ATOM 78 CD LYS A 10 4.101 -8.507 -16.711 1.00 38.95 C ATOM 79 CE LYS A 10 5.503 -8.511 -16.173 1.00 39.00 C ATOM 80 NZ LYS A 10 6.336 -7.476 -16.810 1.00 37.46 N ATOM 81 N ARG A 11 -1.108 -9.566 -15.282 1.00 41.08 N ATOM 82 CA ARG A 11 -2.376 -10.176 -15.678 1.00 41.64 C ATOM 83 C ARG A 11 -3.567 -9.223 -15.418 1.00 40.22 C ATOM 84 O ARG A 11 -4.337 -8.935 -16.309 1.00 40.33 O ATOM 85 CB ARG A 11 -2.587 -11.516 -14.979 1.00 41.22 C ATOM 86 CG ARG A 11 -3.778 -12.337 -15.548 1.00 44.89 C ATOM 87 CD ARG A 11 -3.960 -13.715 -14.805 1.00 45.26 C ATOM 88 NE ARG A 11 -4.257 -13.538 -13.378 1.00 51.21 N ATOM 89 CZ ARG A 11 -3.377 -13.747 -12.387 1.00 52.64 C ATOM 90 NH1 ARG A 11 -2.134 -14.153 -12.663 1.00 51.15 N ATOM 91 NH2 ARG A 11 -3.746 -13.555 -11.116 1.00 52.72 N ATOM 92 N THR A 12 -3.652 -8.701 -14.202 1.00 39.68 N ATOM 93 CA THR A 12 -4.756 -7.808 -13.812 1.00 37.82 C ATOM 94 C THR A 12 -4.684 -6.422 -14.501 1.00 37.01 C ATOM 95 O THR A 12 -5.704 -5.829 -14.812 1.00 36.82 O ATOM 96 CB THR A 12 -4.834 -7.632 -12.260 1.00 36.92 C ATOM 97 OG1 THR A 12 -3.678 -6.939 -11.800 1.00 36.76 O ATOM 98 CG2 THR A 12 -4.904 -8.988 -11.572 1.00 34.99 C ATOM 99 N TRP A 13 -3.481 -5.928 -14.736 1.00 36.72 N ATOM 100 CA TRP A 13 -3.336 -4.613 -15.334 1.00 37.44 C ATOM 101 C TRP A 13 -3.875 -4.559 -16.793 1.00 37.25 C ATOM 102 O TRP A 13 -4.479 -3.580 -17.193 1.00 36.61 O ATOM 103 CB TRP A 13 -1.884 -4.123 -15.271 1.00 36.97 C ATOM 104 CG TRP A 13 -1.692 -2.807 -15.988 1.00 37.11 C ATOM 105 CD1 TRP A 13 -1.124 -2.622 -17.199 1.00 36.17 C ATOM 106 CD2 TRP A 13 -2.122 -1.507 -15.542 1.00 36.45 C ATOM 107 NE1 TRP A 13 -1.160 -1.294 -17.545 1.00 36.97 N ATOM 108 CE2 TRP A 13 -1.777 -0.590 -16.547 1.00 37.59 C ATOM 109 CE3 TRP A 13 -2.786 -1.038 -14.397 1.00 37.44 C ATOM 110 CZ2 TRP A 13 -2.053 0.781 -16.443 1.00 37.11 C ATOM 111 CZ3 TRP A 13 -3.063 0.311 -14.295 1.00 36.30 C ATOM 112 CH2 TRP A 13 -2.677 1.211 -15.309 1.00 37.53 C ATOM 113 N GLU A 14 -3.682 -5.647 -17.541 1.00 37.60 N ATOM 114 CA GLU A 14 -4.237 -5.778 -18.910 1.00 38.18 C ATOM 115 C GLU A 14 -5.721 -5.440 -19.009 1.00 38.53 C ATOM 116 O GLU A 14 -6.172 -4.949 -20.023 1.00 39.05 O ATOM 117 CB GLU A 14 -3.994 -7.189 -19.466 1.00 37.85 C ATOM 118 CG GLU A 14 -2.601 -7.443 -19.871 1.00 38.70 C ATOM 119 CD GLU A 14 -2.100 -6.411 -20.838 1.00 43.14 C ATOM 120 OE1 GLU A 14 -1.308 -5.539 -20.414 1.00 44.66 O ATOM 121 OE2 GLU A 14 -2.547 -6.422 -22.019 1.00 43.07 O ATOM 122 N VAL A 15 -6.483 -5.782 -17.978 1.00 38.88 N ATOM 123 CA VAL A 15 -7.924 -5.497 -17.956 1.00 38.81 C ATOM 124 C VAL A 15 -8.191 -3.981 -17.942 1.00 39.15 C ATOM 125 O VAL A 15 -9.132 -3.503 -18.582 1.00 40.34 O ATOM 126 CB VAL A 15 -8.643 -6.185 -16.696 1.00 39.58 C ATOM 127 CG1 VAL A 15 -10.084 -5.704 -16.557 1.00 37.64 C ATOM 128 CG2 VAL A 15 -8.593 -7.733 -16.805 1.00 38.62 C ATOM 129 N VAL A 16 -7.370 -3.236 -17.196 1.00 38.56 N ATOM 130 CA VAL A 16 -7.522 -1.781 -17.107 1.00 37.91 C ATOM 131 C VAL A 16 -7.023 -1.131 -18.389 1.00 39.12 C ATOM 132 O VAL A 16 -7.612 -0.158 -18.875 1.00 38.96 O ATOM 133 CB VAL A 16 -6.723 -1.179 -15.888 1.00 37.79 C ATOM 134 CG1 VAL A 16 -6.667 0.313 -15.987 1.00 36.66 C ATOM 135 CG2 VAL A 16 -7.350 -1.609 -14.554 1.00 35.43 C ATOM 136 N ALA A 17 -5.925 -1.677 -18.936 1.00 39.63 N ATOM 137 CA ALA A 17 -5.298 -1.136 -20.152 1.00 39.81 C ATOM 138 C ALA A 17 -6.206 -1.262 -21.372 1.00 40.64 C ATOM 139 O ALA A 17 -5.976 -0.611 -22.384 1.00 41.29 O ATOM 140 CB ALA A 17 -3.994 -1.814 -20.410 1.00 38.80 C ATOM 141 N ALA A 18 -7.230 -2.106 -21.271 1.00 40.80 N ATOM 142 CA ALA A 18 -8.152 -2.315 -22.375 1.00 42.86 C ATOM 143 C ALA A 18 -9.085 -1.089 -22.621 1.00 44.15 C ATOM 144 O ALA A 18 -9.606 -0.909 -23.728 1.00 44.36 O ATOM 145 CB ALA A 18 -8.975 -3.575 -22.145 1.00 42.61 C ATOM 146 N LYS A 19 -9.262 -0.253 -21.578 1.00 45.70 N ATOM 147 CA LYS A 19 -10.222 0.878 -21.604 1.00 46.71 C ATOM 148 C LYS A 19 -9.614 2.138 -20.953 1.00 46.98 C ATOM 149 O LYS A 19 -10.205 2.719 -20.059 1.00 47.92 O ATOM 150 CB LYS A 19 -11.521 0.485 -20.874 1.00 46.84 C ATOM 151 CG LYS A 19 -11.280 -0.276 -19.537 1.00 48.06 C ATOM 152 CD LYS A 19 -12.581 -0.531 -18.751 1.00 47.97 C ATOM 153 CE LYS A 19 -12.319 -1.466 -17.534 1.00 50.60 C ATOM 154 NZ LYS A 19 -13.207 -1.162 -16.330 1.00 51.45 N ATOM 155 N MET A 20 -8.437 2.547 -21.431 1.00 47.40 N ATOM 156 CA MET A 20 -7.605 3.577 -20.758 1.00 47.61 C ATOM 157 C MET A 20 -8.375 4.867 -20.462 1.00 47.84 C ATOM 158 O MET A 20 -8.241 5.454 -19.380 1.00 47.28 O ATOM 159 CB MET A 20 -6.374 3.913 -21.616 1.00 48.04 C ATOM 160 CG MET A 20 -5.299 2.858 -21.621 1.00 49.43 C ATOM 161 SD MET A 20 -4.106 3.079 -20.285 1.00 53.48 S ATOM 162 CE MET A 20 -2.884 1.834 -20.711 1.00 50.51 C ATOM 163 N THR A 21 -9.121 5.340 -21.452 1.00 48.29 N ATOM 164 CA THR A 21 -9.797 6.611 -21.347 1.00 48.48 C ATOM 165 C THR A 21 -10.942 6.560 -20.316 1.00 48.13 C ATOM 166 O THR A 21 -11.119 7.503 -19.519 1.00 48.06 O ATOM 167 CB THR A 21 -10.318 7.088 -22.724 1.00 48.96 C ATOM 168 OG1 THR A 21 -9.213 7.523 -23.523 1.00 49.67 O ATOM 169 CG2 THR A 21 -11.320 8.266 -22.560 1.00 48.91 C ATOM 170 N GLU A 22 -11.681 5.453 -20.304 1.00 47.23 N ATOM 171 CA GLU A 22 -12.753 5.268 -19.330 1.00 48.12 C ATOM 172 C GLU A 22 -12.218 5.112 -17.893 1.00 46.95 C ATOM 173 O GLU A 22 -12.840 5.575 -16.939 1.00 47.37 O ATOM 174 CB GLU A 22 -13.639 4.078 -19.709 1.00 47.95 C ATOM 175 CG GLU A 22 -14.712 4.407 -20.772 1.00 49.58 C ATOM 176 CD GLU A 22 -15.482 3.155 -21.259 1.00 51.70 C ATOM 177 OE1 GLU A 22 -15.684 2.195 -20.438 1.00 55.35 O ATOM 178 OE2 GLU A 22 -15.896 3.138 -22.451 1.00 55.79 O ATOM 179 N ALA A 23 -11.059 4.477 -17.755 1.00 45.41 N ATOM 180 CA ALA A 23 -10.415 4.338 -16.456 1.00 43.90 C ATOM 181 C ALA A 23 -9.786 5.661 -15.997 1.00 43.18 C ATOM 182 O ALA A 23 -9.803 5.985 -14.812 1.00 42.31 O ATOM 183 CB ALA A 23 -9.374 3.242 -16.498 1.00 43.84 C ATOM 184 N GLY A 24 -9.231 6.418 -16.948 1.00 42.40 N ATOM 185 CA GLY A 24 -8.555 7.674 -16.629 1.00 41.77 C ATOM 186 C GLY A 24 -9.510 8.723 -16.095 1.00 41.49 C ATOM 187 O GLY A 24 -9.210 9.407 -15.116 1.00 40.91 O ATOM 188 N VAL A 25 -10.671 8.843 -16.755 1.00 41.23 N ATOM 189 CA VAL A 25 -11.740 9.754 -16.333 1.00 41.09 C ATOM 190 C VAL A 25 -12.237 9.401 -14.911 1.00 41.39 C ATOM 191 O VAL A 25 -12.244 10.252 -14.004 1.00 41.22 O ATOM 192 CB VAL A 25 -12.953 9.720 -17.369 1.00 41.63 C ATOM 193 CG1 VAL A 25 -14.236 10.278 -16.751 1.00 40.02 C ATOM 194 CG2 VAL A 25 -12.588 10.475 -18.646 1.00 39.86 C ATOM 195 N GLU A 26 -12.598 8.141 -14.719 1.00 41.59 N ATOM 196 CA GLU A 26 -12.938 7.630 -13.402 1.00 41.60 C ATOM 197 C GLU A 26 -11.848 7.945 -12.366 1.00 41.35 C ATOM 198 O GLU A 26 -12.147 8.371 -11.251 1.00 41.44 O ATOM 199 CB GLU A 26 -13.183 6.130 -13.466 1.00 41.25 C ATOM 200 CG GLU A 26 -13.848 5.583 -12.264 1.00 44.77 C ATOM 201 CD GLU A 26 -15.259 6.118 -12.089 1.00 51.05 C ATOM 202 OE1 GLU A 26 -15.910 6.415 -13.118 1.00 55.99 O ATOM 203 OE2 GLU A 26 -15.727 6.225 -10.927 1.00 51.33 O ATOM 204 N MET A 27 -10.588 7.726 -12.736 1.00 41.15 N ATOM 205 CA MET A 27 -9.480 7.988 -11.818 1.00 41.26 C ATOM 206 C MET A 27 -9.436 9.487 -11.392 1.00 40.48 C ATOM 207 O MET A 27 -9.402 9.793 -10.221 1.00 39.66 O ATOM 208 CB MET A 27 -8.128 7.534 -12.428 1.00 40.44 C ATOM 209 CG MET A 27 -6.905 7.905 -11.593 1.00 39.69 C ATOM 210 SD MET A 27 -5.350 7.911 -12.541 1.00 44.02 S ATOM 211 CE MET A 27 -5.702 9.159 -13.793 1.00 44.29 C ATOM 212 N LEU A 28 -9.485 10.393 -12.369 1.00 40.54 N ATOM 213 CA LEU A 28 -9.321 11.832 -12.088 1.00 40.94 C ATOM 214 C LEU A 28 -10.498 12.425 -11.281 1.00 40.96 C ATOM 215 O LEU A 28 -10.296 13.275 -10.429 1.00 40.75 O ATOM 216 CB LEU A 28 -9.110 12.628 -13.377 1.00 40.51 C ATOM 217 CG LEU A 28 -7.732 12.581 -14.045 1.00 40.01 C ATOM 218 CD1 LEU A 28 -7.770 13.334 -15.361 1.00 38.71 C ATOM 219 CD2 LEU A 28 -6.623 13.153 -13.125 1.00 39.45 C ATOM 220 N LYS A 29 -11.714 11.957 -11.555 1.00 41.09 N ATOM 221 CA LYS A 29 -12.903 12.503 -10.887 1.00 41.54 C ATOM 222 C LYS A 29 -13.115 11.994 -9.440 1.00 41.26 C ATOM 223 O LYS A 29 -13.603 12.728 -8.591 1.00 41.39 O ATOM 224 CB LYS A 29 -14.165 12.324 -11.742 1.00 41.60 C ATOM 225 CG LYS A 29 -14.726 10.976 -11.745 1.00 43.75 C ATOM 226 CD LYS A 29 -16.097 10.960 -12.434 1.00 49.21 C ATOM 227 CE LYS A 29 -16.758 9.575 -12.313 1.00 51.74 C ATOM 228 NZ LYS A 29 -18.180 9.594 -12.742 1.00 54.40 N ATOM 229 N ARG A 30 -12.703 10.761 -9.166 1.00 40.89 N ATOM 230 CA ARG A 30 -12.579 10.289 -7.781 1.00 40.83 C ATOM 231 C ARG A 30 -11.520 11.097 -7.049 1.00 40.16 C ATOM 232 O ARG A 30 -11.710 11.510 -5.898 1.00 41.37 O ATOM 233 CB ARG A 30 -12.194 8.799 -7.750 1.00 41.40 C ATOM 234 CG ARG A 30 -13.336 7.826 -8.091 1.00 43.62 C ATOM 235 CD ARG A 30 -12.769 6.516 -8.584 1.00 49.72 C ATOM 236 NE ARG A 30 -13.730 5.418 -8.540 1.00 53.52 N ATOM 237 CZ ARG A 30 -13.775 4.495 -7.573 1.00 56.55 C ATOM 238 NH1 ARG A 30 -12.945 4.576 -6.518 1.00 54.40 N ATOM 239 NH2 ARG A 30 -14.671 3.504 -7.641 1.00 57.69 N ATOM 240 N TYR A 31 -10.401 11.306 -7.717 1.00 38.54 N ATOM 241 CA TYR A 31 -9.251 11.931 -7.118 1.00 37.70 C ATOM 242 C TYR A 31 -9.547 13.390 -6.703 1.00 38.69 C ATOM 243 O TYR A 31 -9.211 13.807 -5.590 1.00 39.33 O ATOM 244 CB TYR A 31 -8.084 11.873 -8.092 1.00 35.64 C ATOM 245 CG TYR A 31 -6.809 12.533 -7.631 1.00 33.15 C ATOM 246 CD1 TYR A 31 -6.117 12.059 -6.512 1.00 29.85 C ATOM 247 CD2 TYR A 31 -6.216 13.569 -8.392 1.00 30.74 C ATOM 248 CE1 TYR A 31 -4.888 12.626 -6.122 1.00 27.37 C ATOM 249 CE2 TYR A 31 -5.000 14.147 -8.004 1.00 28.23 C ATOM 250 CZ TYR A 31 -4.333 13.655 -6.881 1.00 29.67 C ATOM 251 OH TYR A 31 -3.119 14.196 -6.516 1.00 30.71 O ATOM 252 N PHE A 32 -10.184 14.148 -7.592 1.00 38.99 N ATOM 253 CA PHE A 32 -10.482 15.543 -7.307 1.00 39.70 C ATOM 254 C PHE A 32 -11.668 15.679 -6.337 1.00 41.16 C ATOM 255 O PHE A 32 -11.711 16.619 -5.521 1.00 42.12 O ATOM 256 CB PHE A 32 -10.733 16.322 -8.596 1.00 38.78 C ATOM 257 CG PHE A 32 -9.493 16.481 -9.469 1.00 36.19 C ATOM 258 CD1 PHE A 32 -8.271 16.864 -8.909 1.00 33.66 C ATOM 259 CD2 PHE A 32 -9.558 16.262 -10.838 1.00 34.15 C ATOM 260 CE1 PHE A 32 -7.120 17.006 -9.712 1.00 35.85 C ATOM 261 CE2 PHE A 32 -8.415 16.418 -11.650 1.00 36.91 C ATOM 262 CZ PHE A 32 -7.196 16.790 -11.074 1.00 35.71 C ATOM 263 N LYS A 33 -12.578 14.698 -6.375 1.00 41.66 N ATOM 264 CA LYS A 33 -13.720 14.653 -5.458 1.00 43.19 C ATOM 265 C LYS A 33 -13.259 14.333 -4.044 1.00 43.66 C ATOM 266 O LYS A 33 -13.705 14.940 -3.085 1.00 43.42 O ATOM 267 CB LYS A 33 -14.736 13.599 -5.920 1.00 43.30 C ATOM 268 CG LYS A 33 -16.130 14.127 -6.115 1.00 45.99 C ATOM 269 CD LYS A 33 -17.048 13.751 -4.964 1.00 48.90 C ATOM 270 CE LYS A 33 -18.517 13.978 -5.352 1.00 52.67 C ATOM 271 NZ LYS A 33 -19.482 13.110 -4.557 1.00 54.69 N ATOM 272 N LYS A 34 -12.353 13.377 -3.930 1.00 44.62 N ATOM 273 CA LYS A 34 -11.900 12.907 -2.633 1.00 45.29 C ATOM 274 C LYS A 34 -10.779 13.788 -2.082 1.00 45.41 C ATOM 275 O LYS A 34 -10.592 13.872 -0.888 1.00 46.48 O ATOM 276 CB LYS A 34 -11.436 11.462 -2.735 1.00 45.47 C ATOM 277 CG LYS A 34 -11.128 10.804 -1.420 1.00 46.70 C ATOM 278 CD LYS A 34 -11.007 9.312 -1.608 1.00 48.66 C ATOM 279 CE LYS A 34 -10.449 8.631 -0.389 1.00 49.39 C ATOM 280 NZ LYS A 34 -10.674 7.142 -0.473 1.00 50.68 N ATOM 281 N TYR A 35 -10.039 14.439 -2.968 1.00 45.55 N ATOM 282 CA TYR A 35 -8.903 15.250 -2.554 1.00 45.83 C ATOM 283 C TYR A 35 -8.869 16.590 -3.286 1.00 46.17 C ATOM 284 O TYR A 35 -7.964 16.846 -4.061 1.00 46.38 O ATOM 285 CB TYR A 35 -7.581 14.497 -2.795 1.00 46.05 C ATOM 286 CG TYR A 35 -7.455 13.174 -2.066 1.00 46.43 C ATOM 287 CD1 TYR A 35 -7.488 11.971 -2.763 1.00 45.14 C ATOM 288 CD2 TYR A 35 -7.243 13.129 -0.680 1.00 47.97 C ATOM 289 CE1 TYR A 35 -7.346 10.749 -2.109 1.00 45.43 C ATOM 290 CE2 TYR A 35 -7.089 11.901 -0.009 1.00 47.27 C ATOM 291 CZ TYR A 35 -7.143 10.718 -0.735 1.00 46.79 C ATOM 292 OH TYR A 35 -7.020 9.499 -0.085 1.00 46.90 O ATOM 293 N PRO A 36 -9.833 17.475 -2.989 1.00 46.91 N ATOM 294 CA PRO A 36 -10.081 18.655 -3.843 1.00 46.37 C ATOM 295 C PRO A 36 -8.945 19.670 -3.810 1.00 45.72 C ATOM 296 O PRO A 36 -8.832 20.485 -4.717 1.00 45.71 O ATOM 297 CB PRO A 36 -11.361 19.267 -3.241 1.00 46.73 C ATOM 298 CG PRO A 36 -11.930 18.172 -2.314 1.00 47.40 C ATOM 299 CD PRO A 36 -10.741 17.432 -1.828 1.00 47.31 C ATOM 300 N HIS A 37 -8.102 19.614 -2.785 1.00 44.93 N ATOM 301 CA HIS A 37 -6.934 20.507 -2.729 1.00 44.89 C ATOM 302 C HIS A 37 -5.997 20.352 -3.950 1.00 44.76 C ATOM 303 O HIS A 37 -5.438 21.321 -4.431 1.00 44.84 O ATOM 304 CB HIS A 37 -6.154 20.346 -1.410 1.00 44.28 C ATOM 305 CG HIS A 37 -6.034 18.928 -0.941 1.00 46.08 C ATOM 306 ND1 HIS A 37 -7.084 18.241 -0.361 1.00 46.83 N ATOM 307 CD2 HIS A 37 -4.972 18.084 -0.912 1.00 45.83 C ATOM 308 CE1 HIS A 37 -6.676 17.037 -0.004 1.00 44.01 C ATOM 309 NE2 HIS A 37 -5.400 16.914 -0.334 1.00 44.88 N ATOM 310 N ASN A 38 -5.878 19.129 -4.456 1.00 45.06 N ATOM 311 CA ASN A 38 -4.981 18.828 -5.591 1.00 45.08 C ATOM 312 C ASN A 38 -5.421 19.512 -6.895 1.00 45.90 C ATOM 313 O ASN A 38 -4.680 19.519 -7.894 1.00 45.87 O ATOM 314 CB ASN A 38 -4.882 17.309 -5.801 1.00 44.64 C ATOM 315 CG ASN A 38 -4.106 16.610 -4.684 1.00 42.42 C ATOM 316 OD1 ASN A 38 -4.624 15.689 -4.020 1.00 40.44 O ATOM 317 ND2 ASN A 38 -2.869 17.022 -4.484 1.00 35.90 N ATOM 318 N LEU A 39 -6.629 20.078 -6.875 1.00 46.48 N ATOM 319 CA LEU A 39 -7.131 20.892 -7.970 1.00 46.61 C ATOM 320 C LEU A 39 -6.242 22.152 -8.198 1.00 46.91 C ATOM 321 O LEU A 39 -6.039 22.590 -9.337 1.00 47.06 O ATOM 322 CB LEU A 39 -8.572 21.298 -7.686 1.00 46.76 C ATOM 323 CG LEU A 39 -9.664 21.009 -8.737 1.00 48.01 C ATOM 324 CD1 LEU A 39 -9.182 20.076 -9.853 1.00 46.93 C ATOM 325 CD2 LEU A 39 -10.924 20.458 -8.069 1.00 46.80 C ATOM 326 N ASN A 40 -5.663 22.673 -7.122 1.00 46.83 N ATOM 327 CA ASN A 40 -4.820 23.863 -7.216 1.00 46.94 C ATOM 328 C ASN A 40 -3.642 23.711 -8.193 1.00 47.09 C ATOM 329 O ASN A 40 -3.099 24.714 -8.685 1.00 47.42 O ATOM 330 CB ASN A 40 -4.315 24.286 -5.834 1.00 46.50 C ATOM 331 CG ASN A 40 -5.458 24.718 -4.885 1.00 47.54 C ATOM 332 OD1 ASN A 40 -5.283 24.754 -3.669 1.00 48.53 O ATOM 333 ND2 ASN A 40 -6.633 25.012 -5.451 1.00 47.16 N ATOM 334 N HIS A 41 -3.252 22.464 -8.467 1.00 46.53 N ATOM 335 CA HIS A 41 -2.115 22.189 -9.341 1.00 46.20 C ATOM 336 C HIS A 41 -2.543 22.221 -10.771 1.00 46.42 C ATOM 337 O HIS A 41 -1.712 22.293 -11.670 1.00 46.00 O ATOM 338 CB HIS A 41 -1.502 20.819 -9.021 1.00 46.60 C ATOM 339 CG HIS A 41 -0.682 20.802 -7.774 1.00 46.34 C ATOM 340 ND1 HIS A 41 0.593 21.328 -7.714 1.00 45.36 N ATOM 341 CD2 HIS A 41 -0.967 20.362 -6.525 1.00 45.56 C ATOM 342 CE1 HIS A 41 1.063 21.199 -6.486 1.00 46.06 C ATOM 343 NE2 HIS A 41 0.136 20.618 -5.744 1.00 47.61 N ATOM 344 N PHE A 42 -3.858 22.139 -10.985 1.00 46.76 N ATOM 345 CA PHE A 42 -4.435 22.140 -12.321 1.00 47.50 C ATOM 346 C PHE A 42 -5.415 23.318 -12.488 1.00 48.16 C ATOM 347 O PHE A 42 -6.641 23.105 -12.595 1.00 47.92 O ATOM 348 CB PHE A 42 -5.190 20.821 -12.580 1.00 47.57 C ATOM 349 CG PHE A 42 -4.344 19.588 -12.429 1.00 47.66 C ATOM 350 CD1 PHE A 42 -4.158 19.004 -11.184 1.00 49.29 C ATOM 351 CD2 PHE A 42 -3.830 18.952 -13.535 1.00 47.81 C ATOM 352 CE1 PHE A 42 -3.410 17.836 -11.049 1.00 47.92 C ATOM 353 CE2 PHE A 42 -3.076 17.773 -13.399 1.00 49.32 C ATOM 354 CZ PHE A 42 -2.874 17.227 -12.164 1.00 47.58 C ATOM 355 N PRO A 43 -4.883 24.566 -12.527 1.00 49.00 N ATOM 356 CA PRO A 43 -5.726 25.799 -12.594 1.00 49.49 C ATOM 357 C PRO A 43 -6.845 25.716 -13.665 1.00 50.06 C ATOM 358 O PRO A 43 -7.993 26.075 -13.392 1.00 49.85 O ATOM 359 CB PRO A 43 -4.715 26.885 -12.961 1.00 49.40 C ATOM 360 CG PRO A 43 -3.418 26.398 -12.366 1.00 48.85 C ATOM 361 CD PRO A 43 -3.439 24.889 -12.520 1.00 48.98 C ATOM 362 N TRP A 44 -6.509 25.203 -14.845 1.00 50.77 N ATOM 363 CA TRP A 44 -7.482 25.075 -15.934 1.00 51.60 C ATOM 364 C TRP A 44 -8.704 24.214 -15.571 1.00 52.53 C ATOM 365 O TRP A 44 -9.794 24.421 -16.105 1.00 52.58 O ATOM 366 CB TRP A 44 -6.811 24.542 -17.204 1.00 51.06 C ATOM 367 CG TRP A 44 -5.794 23.438 -16.957 1.00 51.51 C ATOM 368 CD1 TRP A 44 -5.971 22.091 -17.161 1.00 49.95 C ATOM 369 CD2 TRP A 44 -4.440 23.597 -16.490 1.00 50.89 C ATOM 370 NE1 TRP A 44 -4.821 21.410 -16.839 1.00 50.22 N ATOM 371 CE2 TRP A 44 -3.863 22.305 -16.435 1.00 49.49 C ATOM 372 CE3 TRP A 44 -3.663 24.704 -16.109 1.00 51.05 C ATOM 373 CZ2 TRP A 44 -2.535 22.086 -16.018 1.00 49.71 C ATOM 374 CZ3 TRP A 44 -2.328 24.482 -15.697 1.00 51.06 C ATOM 375 CH2 TRP A 44 -1.791 23.183 -15.652 1.00 49.98 C ATOM 376 N PHE A 45 -8.521 23.252 -14.667 1.00 53.71 N ATOM 377 CA PHE A 45 -9.599 22.310 -14.348 1.00 55.06 C ATOM 378 C PHE A 45 -10.590 22.829 -13.286 1.00 56.23 C ATOM 379 O PHE A 45 -11.776 22.444 -13.287 1.00 56.68 O ATOM 380 CB PHE A 45 -9.046 20.934 -13.964 1.00 54.65 C ATOM 381 CG PHE A 45 -8.622 20.088 -15.155 1.00 54.79 C ATOM 382 CD1 PHE A 45 -7.641 19.110 -15.018 1.00 54.34 C ATOM 383 CD2 PHE A 45 -9.186 20.298 -16.418 1.00 54.38 C ATOM 384 CE1 PHE A 45 -7.256 18.343 -16.097 1.00 53.36 C ATOM 385 CE2 PHE A 45 -8.796 19.537 -17.501 1.00 53.76 C ATOM 386 CZ PHE A 45 -7.831 18.556 -17.340 1.00 54.64 C ATOM 387 N LYS A 46 -10.125 23.723 -12.411 1.00 57.13 N ATOM 388 CA LYS A 46 -11.032 24.359 -11.427 1.00 58.28 C ATOM 389 C LYS A 46 -11.929 25.412 -12.065 1.00 58.52 C ATOM 390 O LYS A 46 -13.011 25.699 -11.559 1.00 59.75 O ATOM 391 CB LYS A 46 -10.262 24.960 -10.236 1.00 58.25 C ATOM 392 CG LYS A 46 -8.771 25.098 -10.443 1.00 59.37 C ATOM 393 CD LYS A 46 -8.172 26.126 -9.482 1.00 61.81 C ATOM 394 CE LYS A 46 -8.750 25.995 -8.071 1.00 62.04 C ATOM 395 NZ LYS A 46 -7.961 26.793 -7.087 1.00 63.48 N ATOM 396 N GLU A 47 -11.487 25.958 -13.195 1.00 57.91 N ATOM 397 CA GLU A 47 -12.224 27.000 -13.894 1.00 57.12 C ATOM 398 C GLU A 47 -13.533 26.466 -14.486 1.00 57.20 C ATOM 399 O GLU A 47 -14.273 27.199 -15.120 1.00 57.76 O ATOM 400 CB GLU A 47 -11.354 27.594 -15.003 1.00 56.96 C ATOM 401 CG GLU A 47 -11.470 29.097 -15.160 1.00 57.54 C ATOM 402 CD GLU A 47 -10.941 29.852 -13.959 1.00 57.36 C ATOM 403 OE1 GLU A 47 -9.713 29.937 -13.803 1.00 57.95 O ATOM 404 OE2 GLU A 47 -11.758 30.361 -13.176 1.00 57.27 O ATOM 405 N ILE A 48 -13.803 25.183 -14.268 1.00 56.88 N ATOM 406 CA ILE A 48 -14.917 24.501 -14.927 1.00 56.54 C ATOM 407 C ILE A 48 -15.770 23.824 -13.876 1.00 56.40 C ATOM 408 O ILE A 48 -15.246 23.180 -12.981 1.00 56.92 O ATOM 409 CB ILE A 48 -14.394 23.399 -15.952 1.00 56.47 C ATOM 410 CG1 ILE A 48 -13.689 24.052 -17.143 1.00 56.34 C ATOM 411 CG2 ILE A 48 -15.533 22.508 -16.424 1.00 55.74 C ATOM 412 CD1 ILE A 48 -13.109 23.034 -18.158 1.00 56.63 C ATOM 413 N PRO A 49 -17.098 23.970 -13.974 1.00 56.38 N ATOM 414 CA PRO A 49 -17.988 23.267 -13.025 1.00 56.81 C ATOM 415 C PRO A 49 -17.703 21.742 -12.972 1.00 57.00 C ATOM 416 O PRO A 49 -17.476 21.108 -14.012 1.00 56.97 O ATOM 417 CB PRO A 49 -19.399 23.549 -13.574 1.00 56.59 C ATOM 418 CG PRO A 49 -19.182 24.143 -14.955 1.00 57.41 C ATOM 419 CD PRO A 49 -17.841 24.783 -14.941 1.00 56.21 C ATOM 420 N PHE A 50 -17.697 21.188 -11.761 1.00 57.37 N ATOM 421 CA PHE A 50 -17.155 19.848 -11.506 1.00 57.84 C ATOM 422 C PHE A 50 -17.829 18.746 -12.323 1.00 57.83 C ATOM 423 O PHE A 50 -17.176 17.812 -12.760 1.00 58.43 O ATOM 424 CB PHE A 50 -17.238 19.508 -10.009 1.00 58.34 C ATOM 425 CG PHE A 50 -16.693 18.149 -9.669 1.00 58.83 C ATOM 426 CD1 PHE A 50 -15.317 17.969 -9.435 1.00 58.94 C ATOM 427 CD2 PHE A 50 -17.536 17.032 -9.634 1.00 57.33 C ATOM 428 CE1 PHE A 50 -14.801 16.704 -9.160 1.00 58.18 C ATOM 429 CE2 PHE A 50 -17.029 15.770 -9.365 1.00 58.36 C ATOM 430 CZ PHE A 50 -15.653 15.603 -9.119 1.00 58.30 C ATOM 431 N ASP A 51 -19.147 18.833 -12.467 1.00 57.81 N ATOM 432 CA ASP A 51 -19.912 17.805 -13.150 1.00 57.88 C ATOM 433 C ASP A 51 -19.721 17.879 -14.681 1.00 57.38 C ATOM 434 O ASP A 51 -20.195 17.012 -15.422 1.00 57.37 O ATOM 435 CB ASP A 51 -21.412 17.916 -12.779 1.00 58.56 C ATOM 436 CG ASP A 51 -21.740 17.276 -11.406 1.00 60.23 C ATOM 437 OD1 ASP A 51 -22.929 16.930 -11.172 1.00 61.93 O ATOM 438 OD2 ASP A 51 -20.810 17.114 -10.575 1.00 60.87 O ATOM 439 N ASP A 52 -19.009 18.902 -15.134 1.00 56.75 N ATOM 440 CA ASP A 52 -18.752 19.093 -16.560 1.00 56.52 C ATOM 441 C ASP A 52 -17.397 18.542 -16.987 1.00 55.41 C ATOM 442 O ASP A 52 -17.129 18.397 -18.179 1.00 55.73 O ATOM 443 CB ASP A 52 -18.848 20.582 -16.927 1.00 57.27 C ATOM 444 CG ASP A 52 -20.296 21.063 -17.070 1.00 59.42 C ATOM 445 OD1 ASP A 52 -20.494 22.244 -17.454 1.00 60.25 O ATOM 446 OD2 ASP A 52 -21.237 20.262 -16.778 1.00 62.15 O ATOM 447 N LEU A 53 -16.544 18.246 -16.010 1.00 54.16 N ATOM 448 CA LEU A 53 -15.168 17.821 -16.283 1.00 53.02 C ATOM 449 C LEU A 53 -15.066 16.458 -17.066 1.00 52.78 C ATOM 450 O LEU A 53 -14.297 16.352 -18.032 1.00 51.43 O ATOM 451 CB LEU A 53 -14.364 17.753 -14.986 1.00 52.62 C ATOM 452 CG LEU A 53 -13.807 19.063 -14.456 1.00 51.26 C ATOM 453 CD1 LEU A 53 -13.456 18.921 -12.992 1.00 51.16 C ATOM 454 CD2 LEU A 53 -12.588 19.489 -15.253 1.00 49.50 C ATOM 455 N PRO A 54 -15.822 15.415 -16.614 1.00 52.91 N ATOM 456 CA PRO A 54 -15.802 14.118 -17.291 1.00 53.51 C ATOM 457 C PRO A 54 -15.918 14.222 -18.817 1.00 54.23 C ATOM 458 O PRO A 54 -15.357 13.391 -19.534 1.00 54.43 O ATOM 459 CB PRO A 54 -17.019 13.406 -16.706 1.00 52.90 C ATOM 460 CG PRO A 54 -17.101 13.911 -15.327 1.00 52.71 C ATOM 461 CD PRO A 54 -16.656 15.374 -15.396 1.00 53.18 C ATOM 462 N GLU A 55 -16.599 15.255 -19.299 1.00 55.06 N ATOM 463 CA GLU A 55 -16.890 15.388 -20.732 1.00 55.94 C ATOM 464 C GLU A 55 -16.047 16.504 -21.392 1.00 55.21 C ATOM 465 O GLU A 55 -16.457 17.093 -22.392 1.00 55.63 O ATOM 466 CB GLU A 55 -18.386 15.656 -20.940 1.00 56.98 C ATOM 467 CG GLU A 55 -18.970 15.020 -22.192 1.00 61.46 C ATOM 468 CD GLU A 55 -20.460 14.681 -22.038 1.00 67.56 C ATOM 469 OE1 GLU A 55 -20.908 14.447 -20.883 1.00 68.85 O ATOM 470 OE2 GLU A 55 -21.180 14.642 -23.075 1.00 70.50 O ATOM 471 N ASN A 56 -14.870 16.773 -20.818 1.00 54.10 N ATOM 472 CA ASN A 56 -13.971 17.814 -21.316 1.00 52.51 C ATOM 473 C ASN A 56 -12.720 17.198 -21.964 1.00 51.63 C ATOM 474 O ASN A 56 -12.159 16.234 -21.455 1.00 51.31 O ATOM 475 CB ASN A 56 -13.574 18.764 -20.164 1.00 52.52 C ATOM 476 CG ASN A 56 -12.552 19.819 -20.589 1.00 52.96 C ATOM 477 OD1 ASN A 56 -11.360 19.639 -20.417 1.00 55.95 O ATOM 478 ND2 ASN A 56 -13.034 20.929 -21.115 1.00 54.03 N ATOM 479 N ALA A 57 -12.301 17.761 -23.090 1.00 50.52 N ATOM 480 CA ALA A 57 -11.328 17.100 -23.964 1.00 48.90 C ATOM 481 C ALA A 57 -9.930 17.011 -23.321 1.00 47.73 C ATOM 482 O ALA A 57 -9.260 15.982 -23.412 1.00 47.59 O ATOM 483 CB ALA A 57 -11.257 17.808 -25.318 1.00 48.67 C ATOM 484 N ARG A 58 -9.501 18.091 -22.681 1.00 45.66 N ATOM 485 CA ARG A 58 -8.202 18.124 -22.052 1.00 43.66 C ATOM 486 C ARG A 58 -8.185 17.196 -20.827 1.00 42.42 C ATOM 487 O ARG A 58 -7.138 16.724 -20.404 1.00 42.01 O ATOM 488 CB ARG A 58 -7.859 19.551 -21.649 1.00 43.83 C ATOM 489 CG ARG A 58 -6.546 19.695 -20.942 1.00 43.57 C ATOM 490 CD ARG A 58 -6.251 21.145 -20.633 1.00 44.02 C ATOM 491 NE ARG A 58 -4.847 21.336 -20.298 1.00 44.45 N ATOM 492 CZ ARG A 58 -4.274 22.513 -20.123 1.00 44.75 C ATOM 493 NH1 ARG A 58 -4.991 23.632 -20.237 1.00 44.21 N ATOM 494 NH2 ARG A 58 -2.987 22.578 -19.817 1.00 44.36 N ATOM 495 N PHE A 59 -9.367 16.913 -20.307 1.00 40.77 N ATOM 496 CA PHE A 59 -9.519 16.193 -19.067 1.00 39.49 C ATOM 497 C PHE A 59 -9.518 14.668 -19.308 1.00 39.37 C ATOM 498 O PHE A 59 -8.929 13.914 -18.530 1.00 39.66 O ATOM 499 CB PHE A 59 -10.816 16.642 -18.361 1.00 38.31 C ATOM 500 CG PHE A 59 -11.062 15.971 -17.054 1.00 37.00 C ATOM 501 CD1 PHE A 59 -10.731 16.611 -15.851 1.00 35.67 C ATOM 502 CD2 PHE A 59 -11.693 14.718 -17.000 1.00 34.68 C ATOM 503 CE1 PHE A 59 -10.994 15.999 -14.618 1.00 32.79 C ATOM 504 CE2 PHE A 59 -11.939 14.100 -15.778 1.00 33.29 C ATOM 505 CZ PHE A 59 -11.597 14.751 -14.583 1.00 33.68 C ATOM 506 N LYS A 60 -10.173 14.231 -20.390 1.00 39.25 N ATOM 507 CA LYS A 60 -10.075 12.820 -20.855 1.00 40.42 C ATOM 508 C LYS A 60 -8.672 12.491 -21.369 1.00 40.00 C ATOM 509 O LYS A 60 -8.117 11.457 -21.052 1.00 40.27 O ATOM 510 CB LYS A 60 -11.113 12.526 -21.953 1.00 40.35 C ATOM 511 CG LYS A 60 -12.571 12.763 -21.526 1.00 40.96 C ATOM 512 CD LYS A 60 -13.558 12.174 -22.537 1.00 41.84 C ATOM 513 CE LYS A 60 -13.750 13.105 -23.743 1.00 44.36 C ATOM 514 NZ LYS A 60 -14.657 12.510 -24.770 1.00 45.82 N ATOM 515 N THR A 61 -8.100 13.399 -22.126 1.00 40.27 N ATOM 516 CA THR A 61 -6.770 13.208 -22.664 1.00 41.62 C ATOM 517 C THR A 61 -5.688 13.099 -21.573 1.00 41.58 C ATOM 518 O THR A 61 -4.736 12.301 -21.699 1.00 41.78 O ATOM 519 CB THR A 61 -6.410 14.311 -23.651 1.00 41.71 C ATOM 520 OG1 THR A 61 -7.422 14.374 -24.673 1.00 45.68 O ATOM 521 CG2 THR A 61 -5.064 14.029 -24.306 1.00 41.73 C ATOM 522 N HIS A 62 -5.830 13.890 -20.510 1.00 41.29 N ATOM 523 CA HIS A 62 -4.831 13.901 -19.456 1.00 40.02 C ATOM 524 C HIS A 62 -4.900 12.632 -18.603 1.00 39.71 C ATOM 525 O HIS A 62 -3.864 12.078 -18.220 1.00 38.80 O ATOM 526 CB HIS A 62 -4.964 15.123 -18.584 1.00 39.16 C ATOM 527 CG HIS A 62 -3.888 15.239 -17.566 1.00 38.79 C ATOM 528 ND1 HIS A 62 -2.560 15.378 -17.906 1.00 40.29 N ATOM 529 CD2 HIS A 62 -3.926 15.163 -16.216 1.00 38.54 C ATOM 530 CE1 HIS A 62 -1.830 15.432 -16.804 1.00 40.64 C ATOM 531 NE2 HIS A 62 -2.636 15.306 -15.765 1.00 38.71 N ATOM 532 N GLY A 63 -6.125 12.187 -18.304 1.00 38.60 N ATOM 533 CA GLY A 63 -6.335 10.922 -17.643 1.00 38.52 C ATOM 534 C GLY A 63 -5.644 9.775 -18.365 1.00 39.09 C ATOM 535 O GLY A 63 -4.840 9.044 -17.773 1.00 39.37 O ATOM 536 N THR A 64 -5.939 9.632 -19.653 1.00 39.07 N ATOM 537 CA THR A 64 -5.267 8.644 -20.496 1.00 38.71 C ATOM 538 C THR A 64 -3.708 8.710 -20.388 1.00 38.91 C ATOM 539 O THR A 64 -3.060 7.687 -20.138 1.00 39.70 O ATOM 540 CB THR A 64 -5.711 8.762 -21.960 1.00 38.80 C ATOM 541 OG1 THR A 64 -7.146 8.887 -22.016 1.00 38.56 O ATOM 542 CG2 THR A 64 -5.282 7.534 -22.751 1.00 37.13 C ATOM 543 N ARG A 65 -3.132 9.910 -20.515 1.00 37.61 N ATOM 544 CA ARG A 65 -1.676 10.048 -20.496 1.00 37.76 C ATOM 545 C ARG A 65 -1.016 9.594 -19.167 1.00 37.15 C ATOM 546 O ARG A 65 0.065 9.046 -19.181 1.00 36.80 O ATOM 547 CB ARG A 65 -1.233 11.474 -20.865 1.00 38.28 C ATOM 548 CG ARG A 65 -1.569 11.872 -22.280 1.00 43.32 C ATOM 549 CD ARG A 65 -0.334 12.289 -23.050 1.00 51.53 C ATOM 550 NE ARG A 65 -0.674 13.056 -24.259 1.00 56.65 N ATOM 551 CZ ARG A 65 -0.847 14.379 -24.283 1.00 59.37 C ATOM 552 NH1 ARG A 65 -0.726 15.097 -23.156 1.00 61.45 N ATOM 553 NH2 ARG A 65 -1.146 14.990 -25.424 1.00 60.44 N ATOM 554 N ILE A 66 -1.675 9.857 -18.025 1.00 37.24 N ATOM 555 CA ILE A 66 -1.183 9.340 -16.711 1.00 35.75 C ATOM 556 C ILE A 66 -1.084 7.796 -16.740 1.00 36.03 C ATOM 557 O ILE A 66 -0.043 7.220 -16.400 1.00 35.39 O ATOM 558 CB ILE A 66 -2.086 9.783 -15.508 1.00 35.21 C ATOM 559 CG1 ILE A 66 -2.091 11.312 -15.379 1.00 35.28 C ATOM 560 CG2 ILE A 66 -1.589 9.154 -14.218 1.00 32.54 C ATOM 561 CD1 ILE A 66 -2.857 11.848 -14.168 1.00 34.14 C ATOM 562 N LEU A 67 -2.147 7.152 -17.220 1.00 35.75 N ATOM 563 CA LEU A 67 -2.241 5.689 -17.202 1.00 35.12 C ATOM 564 C LEU A 67 -1.323 5.016 -18.241 1.00 35.41 C ATOM 565 O LEU A 67 -0.847 3.930 -18.024 1.00 35.12 O ATOM 566 CB LEU A 67 -3.692 5.243 -17.387 1.00 34.51 C ATOM 567 CG LEU A 67 -4.613 5.470 -16.175 1.00 32.77 C ATOM 568 CD1 LEU A 67 -5.906 4.680 -16.320 1.00 29.72 C ATOM 569 CD2 LEU A 67 -3.891 5.115 -14.862 1.00 28.91 C ATOM 570 N ARG A 68 -1.063 5.710 -19.351 1.00 36.60 N ATOM 571 CA ARG A 68 -0.193 5.181 -20.417 1.00 36.69 C ATOM 572 C ARG A 68 1.276 5.184 -20.006 1.00 36.86 C ATOM 573 O ARG A 68 2.047 4.309 -20.420 1.00 37.74 O ATOM 574 CB ARG A 68 -0.384 5.974 -21.725 1.00 36.55 C ATOM 575 CG ARG A 68 -1.649 5.587 -22.515 1.00 37.94 C ATOM 576 CD ARG A 68 -1.508 4.213 -23.176 1.00 39.80 C ATOM 577 NE ARG A 68 -0.620 4.246 -24.337 1.00 39.41 N ATOM 578 CZ ARG A 68 -0.187 3.162 -24.995 1.00 38.29 C ATOM 579 NH1 ARG A 68 -0.540 1.946 -24.588 1.00 35.31 N ATOM 580 NH2 ARG A 68 0.628 3.302 -26.058 1.00 36.29 N ATOM 581 N GLN A 69 1.667 6.154 -19.183 1.00 37.05 N ATOM 582 CA GLN A 69 2.985 6.107 -18.542 1.00 37.54 C ATOM 583 C GLN A 69 3.073 5.016 -17.462 1.00 37.53 C ATOM 584 O GLN A 69 4.049 4.303 -17.395 1.00 37.68 O ATOM 585 CB GLN A 69 3.379 7.456 -17.974 1.00 37.39 C ATOM 586 CG GLN A 69 4.594 7.390 -17.080 1.00 40.14 C ATOM 587 CD GLN A 69 5.428 8.664 -17.106 1.00 43.19 C ATOM 588 OE1 GLN A 69 6.651 8.608 -17.093 1.00 45.89 O ATOM 589 NE2 GLN A 69 4.762 9.818 -17.106 1.00 44.82 N ATOM 590 N VAL A 70 2.027 4.878 -16.647 1.00 37.49 N ATOM 591 CA VAL A 70 1.930 3.728 -15.734 1.00 38.26 C ATOM 592 C VAL A 70 2.082 2.389 -16.509 1.00 39.22 C ATOM 593 O VAL A 70 2.768 1.466 -16.042 1.00 38.82 O ATOM 594 CB VAL A 70 0.585 3.719 -14.930 1.00 37.90 C ATOM 595 CG1 VAL A 70 0.393 2.373 -14.208 1.00 36.56 C ATOM 596 CG2 VAL A 70 0.543 4.869 -13.946 1.00 37.53 C ATOM 597 N ASP A 71 1.414 2.307 -17.683 1.00 39.85 N ATOM 598 CA ASP A 71 1.480 1.132 -18.588 1.00 40.49 C ATOM 599 C ASP A 71 2.925 0.720 -18.889 1.00 41.16 C ATOM 600 O ASP A 71 3.273 -0.444 -18.790 1.00 41.41 O ATOM 601 CB ASP A 71 0.749 1.437 -19.901 1.00 40.30 C ATOM 602 CG ASP A 71 0.431 0.176 -20.715 1.00 40.78 C ATOM 603 OD1 ASP A 71 0.152 -0.872 -20.112 1.00 39.38 O ATOM 604 OD2 ASP A 71 0.419 0.260 -21.961 1.00 42.03 O ATOM 605 N GLU A 72 3.754 1.686 -19.254 1.00 41.59 N ATOM 606 CA GLU A 72 5.149 1.409 -19.552 1.00 42.41 C ATOM 607 C GLU A 72 5.894 0.871 -18.323 1.00 41.99 C ATOM 608 O GLU A 72 6.727 -0.045 -18.439 1.00 43.09 O ATOM 609 CB GLU A 72 5.843 2.654 -20.119 1.00 41.48 C ATOM 610 CG GLU A 72 5.166 3.200 -21.381 1.00 43.91 C ATOM 611 CD GLU A 72 6.051 4.174 -22.169 1.00 44.86 C ATOM 612 OE1 GLU A 72 7.022 4.725 -21.581 1.00 48.46 O ATOM 613 OE2 GLU A 72 5.752 4.409 -23.373 1.00 47.36 O ATOM 614 N GLY A 73 5.552 1.399 -17.148 1.00 41.61 N ATOM 615 CA GLY A 73 6.119 0.925 -15.888 1.00 40.47 C ATOM 616 C GLY A 73 5.842 -0.547 -15.641 1.00 40.33 C ATOM 617 O GLY A 73 6.729 -1.288 -15.265 1.00 40.61 O ATOM 618 N VAL A 74 4.600 -0.964 -15.879 1.00 40.00 N ATOM 619 CA VAL A 74 4.208 -2.365 -15.746 1.00 39.91 C ATOM 620 C VAL A 74 4.932 -3.296 -16.784 1.00 40.91 C ATOM 621 O VAL A 74 5.203 -4.476 -16.500 1.00 40.99 O ATOM 622 CB VAL A 74 2.679 -2.528 -15.866 1.00 39.39 C ATOM 623 CG1 VAL A 74 2.317 -3.954 -16.038 1.00 36.77 C ATOM 624 CG2 VAL A 74 1.986 -1.943 -14.625 1.00 40.00 C ATOM 625 N LYS A 75 5.248 -2.747 -17.959 1.00 40.86 N ATOM 626 CA LYS A 75 5.881 -3.523 -19.019 1.00 40.90 C ATOM 627 C LYS A 75 7.350 -3.801 -18.718 1.00 39.99 C ATOM 628 O LYS A 75 7.862 -4.847 -19.060 1.00 39.61 O ATOM 629 CB LYS A 75 5.741 -2.818 -20.362 1.00 40.70 C ATOM 630 CG LYS A 75 4.426 -3.110 -21.074 1.00 42.45 C ATOM 631 CD LYS A 75 4.309 -2.336 -22.409 1.00 43.34 C ATOM 632 CE LYS A 75 3.014 -2.706 -23.141 1.00 49.29 C ATOM 633 NZ LYS A 75 2.463 -1.540 -23.900 1.00 54.66 N ATOM 634 N ALA A 76 8.008 -2.847 -18.055 1.00 39.24 N ATOM 635 CA ALA A 76 9.425 -2.965 -17.709 1.00 38.13 C ATOM 636 C ALA A 76 9.614 -3.565 -16.298 1.00 38.26 C ATOM 637 O ALA A 76 10.727 -3.599 -15.768 1.00 38.30 O ATOM 638 CB ALA A 76 10.108 -1.598 -17.805 1.00 37.30 C ATOM 639 N LEU A 77 8.518 -4.003 -15.690 1.00 38.63 N ATOM 640 CA LEU A 77 8.568 -4.566 -14.340 1.00 38.99 C ATOM 641 C LEU A 77 9.168 -5.984 -14.371 1.00 39.37 C ATOM 642 O LEU A 77 8.632 -6.881 -15.036 1.00 39.17 O ATOM 643 CB LEU A 77 7.173 -4.611 -13.743 1.00 38.58 C ATOM 644 CG LEU A 77 6.972 -4.634 -12.227 1.00 38.83 C ATOM 645 CD1 LEU A 77 6.111 -5.818 -11.847 1.00 35.61 C ATOM 646 CD2 LEU A 77 8.293 -4.621 -11.433 1.00 36.82 C ATOM 647 N SER A 78 10.271 -6.175 -13.645 1.00 39.55 N ATOM 648 CA SER A 78 10.802 -7.518 -13.375 1.00 39.56 C ATOM 649 C SER A 78 11.024 -7.780 -11.853 1.00 40.19 C ATOM 650 O SER A 78 10.909 -6.872 -11.021 1.00 40.25 O ATOM 651 CB SER A 78 12.112 -7.754 -14.159 1.00 39.51 C ATOM 652 OG SER A 78 13.061 -6.693 -13.949 1.00 39.88 O ATOM 653 N VAL A 79 11.332 -9.025 -11.524 1.00 40.62 N ATOM 654 CA VAL A 79 11.540 -9.437 -10.169 1.00 41.09 C ATOM 655 C VAL A 79 12.526 -8.512 -9.470 1.00 42.06 C ATOM 656 O VAL A 79 13.559 -8.136 -10.043 1.00 43.11 O ATOM 657 CB VAL A 79 12.054 -10.908 -10.115 1.00 41.13 C ATOM 658 CG1 VAL A 79 12.574 -11.265 -8.707 1.00 41.08 C ATOM 659 CG2 VAL A 79 10.948 -11.864 -10.541 1.00 41.09 C ATOM 660 N ASP A 80 12.185 -8.112 -8.248 1.00 41.92 N ATOM 661 CA ASP A 80 13.002 -7.192 -7.488 1.00 42.27 C ATOM 662 C ASP A 80 13.304 -5.916 -8.249 1.00 42.11 C ATOM 663 O ASP A 80 14.298 -5.253 -7.983 1.00 42.05 O ATOM 664 CB ASP A 80 14.295 -7.869 -7.040 1.00 42.78 C ATOM 665 CG ASP A 80 14.055 -8.940 -5.954 1.00 44.74 C ATOM 666 OD1 ASP A 80 13.034 -8.848 -5.232 1.00 43.47 O ATOM 667 OD2 ASP A 80 14.882 -9.873 -5.843 1.00 49.59 O ATOM 668 N PHE A 81 12.400 -5.544 -9.159 1.00 42.38 N ATOM 669 CA PHE A 81 12.609 -4.380 -10.052 1.00 43.40 C ATOM 670 C PHE A 81 13.993 -4.398 -10.665 1.00 43.84 C ATOM 671 O PHE A 81 14.694 -3.418 -10.625 1.00 43.70 O ATOM 672 CB PHE A 81 12.390 -3.049 -9.294 1.00 42.77 C ATOM 673 CG PHE A 81 11.218 -3.061 -8.379 1.00 41.61 C ATOM 674 CD1 PHE A 81 11.378 -3.360 -7.017 1.00 40.91 C ATOM 675 CD2 PHE A 81 9.949 -2.754 -8.852 1.00 40.84 C ATOM 676 CE1 PHE A 81 10.278 -3.385 -6.152 1.00 39.59 C ATOM 677 CE2 PHE A 81 8.846 -2.761 -7.994 1.00 40.47 C ATOM 678 CZ PHE A 81 9.017 -3.082 -6.634 1.00 41.08 C ATOM 679 N GLY A 82 14.388 -5.545 -11.207 1.00 45.41 N ATOM 680 CA GLY A 82 15.804 -5.778 -11.576 1.00 46.57 C ATOM 681 C GLY A 82 16.230 -5.138 -12.904 1.00 47.42 C ATOM 682 O GLY A 82 17.412 -5.007 -13.175 1.00 48.19 O ATOM 683 N ASP A 83 15.250 -4.736 -13.719 1.00 48.00 N ATOM 684 CA ASP A 83 15.511 -4.206 -15.079 1.00 48.60 C ATOM 685 C ASP A 83 15.558 -2.646 -15.100 1.00 48.21 C ATOM 686 O ASP A 83 14.574 -1.989 -14.775 1.00 48.94 O ATOM 687 CB ASP A 83 14.437 -4.736 -16.060 1.00 48.76 C ATOM 688 CG ASP A 83 14.680 -4.302 -17.493 1.00 50.63 C ATOM 689 OD1 ASP A 83 13.783 -4.544 -18.353 1.00 51.12 O ATOM 690 OD2 ASP A 83 15.754 -3.707 -17.768 1.00 55.25 O ATOM 691 N LYS A 84 16.703 -2.086 -15.519 1.00 47.82 N ATOM 692 CA LYS A 84 16.940 -0.619 -15.471 1.00 47.30 C ATOM 693 C LYS A 84 15.939 0.172 -16.305 1.00 47.00 C ATOM 694 O LYS A 84 15.784 1.391 -16.110 1.00 46.39 O ATOM 695 CB LYS A 84 18.380 -0.273 -15.921 1.00 47.85 C ATOM 696 CG LYS A 84 19.378 -0.086 -14.767 1.00 48.67 C ATOM 697 N LYS A 85 15.273 -0.509 -17.250 1.00 46.13 N ATOM 698 CA LYS A 85 14.210 0.112 -18.034 1.00 46.30 C ATOM 699 C LYS A 85 13.079 0.656 -17.136 1.00 46.05 C ATOM 700 O LYS A 85 12.425 1.640 -17.475 1.00 46.68 O ATOM 701 CB LYS A 85 13.652 -0.871 -19.066 1.00 46.51 C ATOM 702 CG LYS A 85 14.180 -0.636 -20.505 1.00 49.46 C ATOM 703 CD LYS A 85 14.529 -1.964 -21.215 1.00 51.45 C ATOM 704 CE LYS A 85 13.308 -2.532 -22.003 1.00 52.91 C ATOM 705 NZ LYS A 85 12.384 -3.361 -21.139 1.00 50.61 N ATOM 706 N PHE A 86 12.882 0.019 -15.986 1.00 45.42 N ATOM 707 CA PHE A 86 11.904 0.485 -14.984 1.00 45.05 C ATOM 708 C PHE A 86 12.270 1.873 -14.423 1.00 45.23 C ATOM 709 O PHE A 86 11.438 2.785 -14.411 1.00 44.75 O ATOM 710 CB PHE A 86 11.779 -0.555 -13.836 1.00 44.15 C ATOM 711 CG PHE A 86 10.691 -0.241 -12.834 1.00 41.35 C ATOM 712 CD1 PHE A 86 9.381 -0.591 -13.083 1.00 39.91 C ATOM 713 CD2 PHE A 86 10.999 0.356 -11.621 1.00 37.71 C ATOM 714 CE1 PHE A 86 8.372 -0.325 -12.136 1.00 39.17 C ATOM 715 CE2 PHE A 86 10.003 0.615 -10.679 1.00 38.52 C ATOM 716 CZ PHE A 86 8.696 0.264 -10.938 1.00 39.08 C ATOM 717 N ASP A 87 13.522 2.013 -13.964 1.00 45.79 N ATOM 718 CA ASP A 87 14.073 3.321 -13.537 1.00 46.67 C ATOM 719 C ASP A 87 13.898 4.404 -14.602 1.00 47.18 C ATOM 720 O ASP A 87 13.711 5.586 -14.273 1.00 47.06 O ATOM 721 CB ASP A 87 15.561 3.193 -13.197 1.00 47.15 C ATOM 722 CG ASP A 87 15.822 2.202 -12.093 1.00 48.29 C ATOM 723 OD1 ASP A 87 16.244 2.626 -11.003 1.00 49.32 O ATOM 724 OD2 ASP A 87 15.608 0.995 -12.315 1.00 51.60 O ATOM 725 N ASP A 88 14.027 4.008 -15.877 1.00 47.52 N ATOM 726 CA ASP A 88 13.849 4.938 -17.008 1.00 48.18 C ATOM 727 C ASP A 88 12.519 5.672 -16.899 1.00 46.95 C ATOM 728 O ASP A 88 12.473 6.912 -16.909 1.00 46.42 O ATOM 729 CB ASP A 88 13.908 4.179 -18.354 1.00 49.18 C ATOM 730 CG ASP A 88 15.339 3.810 -18.770 1.00 52.91 C ATOM 731 OD1 ASP A 88 16.308 4.378 -18.183 1.00 55.97 O ATOM 732 OD2 ASP A 88 15.493 2.958 -19.701 1.00 56.18 O ATOM 733 N VAL A 89 11.442 4.902 -16.765 1.00 45.61 N ATOM 734 CA VAL A 89 10.089 5.444 -16.785 1.00 45.30 C ATOM 735 C VAL A 89 9.898 6.565 -15.747 1.00 45.43 C ATOM 736 O VAL A 89 9.242 7.601 -16.028 1.00 44.56 O ATOM 737 CB VAL A 89 9.057 4.359 -16.542 1.00 44.73 C ATOM 738 CG1 VAL A 89 7.668 4.925 -16.666 1.00 45.33 C ATOM 739 CG2 VAL A 89 9.258 3.205 -17.539 1.00 44.98 C ATOM 740 N TRP A 90 10.488 6.374 -14.571 1.00 44.83 N ATOM 741 CA TRP A 90 10.199 7.209 -13.450 1.00 44.49 C ATOM 742 C TRP A 90 11.243 8.269 -13.287 1.00 45.54 C ATOM 743 O TRP A 90 11.019 9.271 -12.607 1.00 45.92 O ATOM 744 CB TRP A 90 10.048 6.370 -12.172 1.00 43.02 C ATOM 745 CG TRP A 90 9.125 5.226 -12.342 1.00 40.53 C ATOM 746 CD1 TRP A 90 9.455 3.902 -12.352 1.00 39.29 C ATOM 747 CD2 TRP A 90 7.721 5.291 -12.616 1.00 39.12 C ATOM 748 NE1 TRP A 90 8.335 3.132 -12.583 1.00 39.38 N ATOM 749 CE2 TRP A 90 7.256 3.959 -12.743 1.00 39.29 C ATOM 750 CE3 TRP A 90 6.804 6.344 -12.747 1.00 39.19 C ATOM 751 CZ2 TRP A 90 5.908 3.652 -12.998 1.00 40.69 C ATOM 752 CZ3 TRP A 90 5.454 6.036 -12.992 1.00 40.11 C ATOM 753 CH2 TRP A 90 5.024 4.704 -13.113 1.00 39.76 C ATOM 754 N LYS A 91 12.366 8.100 -13.971 1.00 46.91 N ATOM 755 CA LYS A 91 13.286 9.225 -14.197 1.00 48.23 C ATOM 756 C LYS A 91 12.693 10.207 -15.204 1.00 47.47 C ATOM 757 O LYS A 91 12.886 11.402 -15.092 1.00 47.90 O ATOM 758 CB LYS A 91 14.669 8.733 -14.648 1.00 47.94 C ATOM 759 CG LYS A 91 15.588 8.285 -13.469 1.00 51.07 C ATOM 760 CD LYS A 91 16.920 7.645 -13.964 1.00 50.72 C ATOM 761 CE LYS A 91 17.608 8.525 -15.051 1.00 55.29 C ATOM 762 NZ LYS A 91 19.049 8.126 -15.276 1.00 56.32 N ATOM 763 N LYS A 92 11.894 9.694 -16.129 1.00 47.72 N ATOM 764 CA LYS A 92 11.162 10.543 -17.059 1.00 47.91 C ATOM 765 C LYS A 92 10.070 11.385 -16.362 1.00 48.09 C ATOM 766 O LYS A 92 9.839 12.537 -16.727 1.00 48.24 O ATOM 767 CB LYS A 92 10.566 9.717 -18.187 1.00 47.88 C ATOM 768 CG LYS A 92 9.730 10.521 -19.177 1.00 49.58 C ATOM 769 CD LYS A 92 9.797 9.924 -20.588 1.00 53.63 C ATOM 770 CE LYS A 92 9.434 8.429 -20.590 1.00 55.95 C ATOM 771 NZ LYS A 92 7.982 8.209 -20.345 1.00 56.66 N ATOM 772 N LEU A 93 9.414 10.805 -15.363 1.00 48.44 N ATOM 773 CA LEU A 93 8.474 11.563 -14.529 1.00 48.54 C ATOM 774 C LEU A 93 9.217 12.659 -13.740 1.00 48.98 C ATOM 775 O LEU A 93 8.790 13.819 -13.716 1.00 49.19 O ATOM 776 CB LEU A 93 7.713 10.626 -13.570 1.00 48.48 C ATOM 777 CG LEU A 93 6.687 11.269 -12.625 1.00 46.90 C ATOM 778 CD1 LEU A 93 5.334 11.287 -13.268 1.00 48.51 C ATOM 779 CD2 LEU A 93 6.630 10.523 -11.281 1.00 45.22 C ATOM 780 N ALA A 94 10.339 12.282 -13.125 1.00 48.82 N ATOM 781 CA ALA A 94 11.206 13.240 -12.407 1.00 49.18 C ATOM 782 C ALA A 94 11.412 14.552 -13.178 1.00 49.81 C ATOM 783 O ALA A 94 11.319 15.630 -12.606 1.00 49.93 O ATOM 784 CB ALA A 94 12.531 12.610 -12.092 1.00 48.32 C ATOM 785 N GLN A 95 11.705 14.445 -14.475 1.00 50.54 N ATOM 786 CA GLN A 95 12.097 15.611 -15.270 1.00 51.15 C ATOM 787 C GLN A 95 10.889 16.345 -15.849 1.00 50.45 C ATOM 788 O GLN A 95 11.021 17.428 -16.383 1.00 51.10 O ATOM 789 CB GLN A 95 13.042 15.198 -16.391 1.00 51.18 C ATOM 790 CG GLN A 95 12.359 14.472 -17.538 1.00 52.43 C ATOM 791 CD GLN A 95 13.339 14.005 -18.602 1.00 53.65 C ATOM 792 OE1 GLN A 95 14.507 13.689 -18.304 1.00 56.57 O ATOM 793 NE2 GLN A 95 12.870 13.941 -19.857 1.00 56.26 N ATOM 794 N THR A 96 9.719 15.722 -15.761 1.00 49.69 N ATOM 795 CA THR A 96 8.483 16.333 -16.227 1.00 48.25 C ATOM 796 C THR A 96 7.746 17.055 -15.084 1.00 48.38 C ATOM 797 O THR A 96 7.030 18.041 -15.315 1.00 47.85 O ATOM 798 CB THR A 96 7.552 15.276 -16.886 1.00 48.07 C ATOM 799 OG1 THR A 96 7.875 15.159 -18.269 1.00 45.75 O ATOM 800 CG2 THR A 96 6.114 15.671 -16.761 1.00 48.90 C ATOM 801 N HIS A 97 7.963 16.589 -13.851 1.00 48.46 N ATOM 802 CA HIS A 97 7.165 17.039 -12.704 1.00 48.45 C ATOM 803 C HIS A 97 7.955 17.915 -11.740 1.00 49.41 C ATOM 804 O HIS A 97 7.377 18.590 -10.890 1.00 49.26 O ATOM 805 CB HIS A 97 6.554 15.839 -11.964 1.00 47.49 C ATOM 806 CG HIS A 97 5.308 15.313 -12.599 1.00 45.64 C ATOM 807 ND1 HIS A 97 5.305 14.689 -13.827 1.00 43.93 N ATOM 808 CD2 HIS A 97 4.015 15.344 -12.192 1.00 44.87 C ATOM 809 CE1 HIS A 97 4.069 14.334 -14.139 1.00 41.15 C ATOM 810 NE2 HIS A 97 3.268 14.714 -13.163 1.00 42.33 N ATOM 811 N HIS A 98 9.270 17.927 -11.893 1.00 50.80 N ATOM 812 CA HIS A 98 10.136 18.634 -10.954 1.00 53.06 C ATOM 813 C HIS A 98 9.833 20.145 -10.899 1.00 54.06 C ATOM 814 O HIS A 98 10.026 20.784 -9.858 1.00 54.70 O ATOM 815 CB HIS A 98 11.601 18.393 -11.294 1.00 53.16 C ATOM 816 CG HIS A 98 12.542 19.312 -10.594 1.00 56.27 C ATOM 817 ND1 HIS A 98 13.181 20.355 -11.236 1.00 59.63 N ATOM 818 CD2 HIS A 98 12.960 19.349 -9.304 1.00 58.89 C ATOM 819 CE1 HIS A 98 13.959 20.990 -10.373 1.00 61.06 C ATOM 820 NE2 HIS A 98 13.839 20.403 -9.192 1.00 61.74 N ATOM 821 N GLU A 99 9.329 20.696 -12.016 1.00 54.60 N ATOM 822 CA GLU A 99 9.109 22.155 -12.154 1.00 54.81 C ATOM 823 C GLU A 99 8.005 22.673 -11.215 1.00 55.22 C ATOM 824 O GLU A 99 8.087 23.798 -10.707 1.00 55.37 O ATOM 825 N LYS A 100 6.964 21.867 -11.011 1.00 55.58 N ATOM 826 CA LYS A 100 6.032 22.119 -9.920 1.00 55.99 C ATOM 827 C LYS A 100 6.592 21.566 -8.645 1.00 55.85 C ATOM 828 O LYS A 100 7.332 20.590 -8.657 1.00 56.34 O ATOM 829 CB LYS A 100 4.671 21.506 -10.201 1.00 56.18 C ATOM 830 CG LYS A 100 3.549 22.015 -9.245 1.00 58.12 C ATOM 831 CD LYS A 100 2.563 22.999 -9.952 1.00 61.57 C ATOM 832 CE LYS A 100 2.969 24.497 -9.714 1.00 63.98 C ATOM 833 NZ LYS A 100 1.776 25.424 -9.729 1.00 63.00 N ATOM 834 N LYS A 101 6.288 22.216 -7.545 1.00 55.74 N ATOM 835 CA LYS A 101 6.552 21.639 -6.253 1.00 55.58 C ATOM 836 C LYS A 101 5.294 20.879 -5.778 1.00 54.61 C ATOM 837 O LYS A 101 4.591 21.319 -4.860 1.00 54.60 O ATOM 838 CB LYS A 101 6.957 22.732 -5.240 1.00 56.18 C ATOM 839 CG LYS A 101 7.491 24.038 -5.883 1.00 57.66 C ATOM 840 CD LYS A 101 9.017 23.955 -6.196 1.00 58.55 C ATOM 841 CE LYS A 101 9.607 25.367 -6.468 1.00 57.20 C ATOM 842 NZ LYS A 101 11.111 25.368 -6.545 1.00 56.67 N ATOM 843 N VAL A 102 4.968 19.799 -6.481 1.00 53.34 N ATOM 844 CA VAL A 102 4.007 18.840 -5.984 1.00 52.60 C ATOM 845 C VAL A 102 4.676 17.993 -4.939 1.00 51.56 C ATOM 846 O VAL A 102 5.705 17.404 -5.196 1.00 51.64 O ATOM 847 CB VAL A 102 3.482 17.914 -7.109 1.00 53.13 C ATOM 848 CG1 VAL A 102 2.490 16.910 -6.543 1.00 52.83 C ATOM 849 CG2 VAL A 102 2.837 18.740 -8.252 1.00 52.01 C ATOM 850 N GLU A 103 4.117 17.968 -3.739 1.00 50.52 N ATOM 851 CA GLU A 103 4.748 17.238 -2.641 1.00 50.49 C ATOM 852 C GLU A 103 4.325 15.745 -2.578 1.00 48.35 C ATOM 853 O GLU A 103 3.349 15.339 -3.192 1.00 47.73 O ATOM 854 CB GLU A 103 4.522 17.947 -1.289 1.00 50.67 C ATOM 855 CG GLU A 103 3.073 18.319 -1.004 1.00 51.99 C ATOM 856 CD GLU A 103 2.922 19.190 0.248 1.00 53.16 C ATOM 857 OE1 GLU A 103 3.948 19.440 0.945 1.00 57.03 O ATOM 858 OE2 GLU A 103 1.779 19.620 0.537 1.00 56.07 O ATOM 859 N ARG A 104 5.095 14.957 -1.841 1.00 46.69 N ATOM 860 CA ARG A 104 4.982 13.514 -1.871 1.00 45.29 C ATOM 861 C ARG A 104 3.564 13.054 -1.571 1.00 44.09 C ATOM 862 O ARG A 104 3.062 12.112 -2.190 1.00 44.20 O ATOM 863 CB ARG A 104 5.982 12.885 -0.875 1.00 45.41 C ATOM 864 CG ARG A 104 5.873 11.374 -0.717 1.00 44.53 C ATOM 865 CD ARG A 104 6.421 10.626 -1.941 1.00 46.49 C ATOM 866 NE ARG A 104 6.256 9.168 -1.812 1.00 45.73 N ATOM 867 CZ ARG A 104 7.249 8.284 -1.908 1.00 46.23 C ATOM 868 NH1 ARG A 104 8.494 8.694 -2.156 1.00 46.38 N ATOM 869 NH2 ARG A 104 6.996 6.986 -1.772 1.00 47.64 N ATOM 870 N ARG A 105 2.908 13.753 -0.654 1.00 42.99 N ATOM 871 CA ARG A 105 1.582 13.375 -0.186 1.00 41.92 C ATOM 872 C ARG A 105 0.595 13.297 -1.329 1.00 40.19 C ATOM 873 O ARG A 105 -0.318 12.458 -1.326 1.00 39.32 O ATOM 874 CB ARG A 105 1.074 14.377 0.877 1.00 42.56 C ATOM 875 CG ARG A 105 -0.127 13.850 1.695 1.00 45.64 C ATOM 876 CD ARG A 105 -1.270 14.842 1.737 1.00 49.19 C ATOM 877 NE ARG A 105 -1.232 15.643 2.959 1.00 55.12 N ATOM 878 CZ ARG A 105 -2.311 16.086 3.609 1.00 57.65 C ATOM 879 NH1 ARG A 105 -3.542 15.801 3.157 1.00 58.27 N ATOM 880 NH2 ARG A 105 -2.163 16.800 4.720 1.00 57.13 N ATOM 881 N SER A 106 0.761 14.192 -2.294 1.00 38.71 N ATOM 882 CA SER A 106 -0.151 14.300 -3.433 1.00 37.57 C ATOM 883 C SER A 106 -0.070 13.068 -4.342 1.00 37.71 C ATOM 884 O SER A 106 -1.081 12.645 -4.921 1.00 37.40 O ATOM 885 CB SER A 106 0.169 15.555 -4.244 1.00 37.35 C ATOM 886 OG SER A 106 -0.447 16.699 -3.690 1.00 33.92 O ATOM 887 N TYR A 107 1.144 12.512 -4.478 1.00 37.36 N ATOM 888 CA TYR A 107 1.365 11.306 -5.265 1.00 37.02 C ATOM 889 C TYR A 107 0.805 10.081 -4.547 1.00 36.64 C ATOM 890 O TYR A 107 0.237 9.178 -5.181 1.00 36.54 O ATOM 891 CB TYR A 107 2.846 11.108 -5.520 1.00 38.27 C ATOM 892 CG TYR A 107 3.488 12.154 -6.415 1.00 38.02 C ATOM 893 CD1 TYR A 107 4.022 13.327 -5.878 1.00 38.71 C ATOM 894 CD2 TYR A 107 3.614 11.940 -7.775 1.00 38.27 C ATOM 895 CE1 TYR A 107 4.654 14.254 -6.676 1.00 39.72 C ATOM 896 CE2 TYR A 107 4.243 12.864 -8.594 1.00 40.38 C ATOM 897 CZ TYR A 107 4.764 14.016 -8.041 1.00 41.28 C ATOM 898 OH TYR A 107 5.390 14.921 -8.840 1.00 41.53 O ATOM 899 N ASN A 108 0.945 10.061 -3.220 1.00 35.89 N ATOM 900 CA ASN A 108 0.360 8.993 -2.398 1.00 35.37 C ATOM 901 C ASN A 108 -1.161 8.931 -2.501 1.00 35.33 C ATOM 902 O ASN A 108 -1.743 7.846 -2.595 1.00 35.01 O ATOM 903 CB ASN A 108 0.782 9.145 -0.952 1.00 35.31 C ATOM 904 CG ASN A 108 2.201 8.798 -0.740 1.00 36.84 C ATOM 905 OD1 ASN A 108 2.763 7.984 -1.474 1.00 42.44 O ATOM 906 ND2 ASN A 108 2.826 9.418 0.251 1.00 34.25 N ATOM 907 N GLU A 109 -1.800 10.098 -2.524 1.00 35.27 N ATOM 908 CA GLU A 109 -3.252 10.160 -2.628 1.00 35.81 C ATOM 909 C GLU A 109 -3.746 9.610 -3.967 1.00 35.41 C ATOM 910 O GLU A 109 -4.789 8.972 -4.029 1.00 34.90 O ATOM 911 CB GLU A 109 -3.764 11.599 -2.391 1.00 35.43 C ATOM 912 CG GLU A 109 -3.812 12.003 -0.906 1.00 35.46 C ATOM 913 CD GLU A 109 -3.791 13.511 -0.698 1.00 36.92 C ATOM 914 OE1 GLU A 109 -3.408 14.239 -1.627 1.00 38.89 O ATOM 915 OE2 GLU A 109 -4.134 13.966 0.414 1.00 41.10 O ATOM 916 N LEU A 110 -2.949 9.813 -5.024 1.00 36.05 N ATOM 917 CA LEU A 110 -3.309 9.333 -6.379 1.00 35.78 C ATOM 918 C LEU A 110 -3.147 7.803 -6.486 1.00 35.21 C ATOM 919 O LEU A 110 -4.025 7.109 -7.000 1.00 34.93 O ATOM 920 CB LEU A 110 -2.470 10.068 -7.469 1.00 35.76 C ATOM 921 CG LEU A 110 -2.815 9.748 -8.945 1.00 35.96 C ATOM 922 CD1 LEU A 110 -4.247 10.050 -9.236 1.00 35.01 C ATOM 923 CD2 LEU A 110 -1.883 10.498 -9.933 1.00 34.91 C ATOM 924 N LYS A 111 -2.053 7.295 -5.942 1.00 34.64 N ATOM 925 CA LYS A 111 -1.875 5.870 -5.792 1.00 34.70 C ATOM 926 C LYS A 111 -3.104 5.209 -5.148 1.00 35.27 C ATOM 927 O LYS A 111 -3.549 4.151 -5.595 1.00 34.95 O ATOM 928 CB LYS A 111 -0.634 5.576 -4.967 1.00 34.71 C ATOM 929 CG LYS A 111 -0.455 4.093 -4.619 1.00 35.16 C ATOM 930 CD LYS A 111 0.797 3.859 -3.770 1.00 33.97 C ATOM 931 CE LYS A 111 0.636 4.430 -2.354 1.00 30.35 C ATOM 932 NZ LYS A 111 1.331 3.564 -1.344 1.00 30.13 N ATOM 933 N ASP A 112 -3.620 5.825 -4.064 1.00 35.81 N ATOM 934 CA ASP A 112 -4.834 5.341 -3.399 1.00 34.38 C ATOM 935 C ASP A 112 -5.936 5.165 -4.415 1.00 33.36 C ATOM 936 O ASP A 112 -6.527 4.097 -4.525 1.00 33.51 O ATOM 937 CB ASP A 112 -5.268 6.325 -2.276 1.00 35.43 C ATOM 938 CG ASP A 112 -6.761 6.069 -1.755 1.00 38.08 C ATOM 939 OD1 ASP A 112 -7.457 7.082 -1.394 1.00 43.17 O ATOM 940 OD2 ASP A 112 -7.200 4.870 -1.668 1.00 41.34 O ATOM 941 N ILE A 113 -6.148 6.182 -5.219 1.00 32.01 N ATOM 942 CA ILE A 113 -7.222 6.169 -6.174 1.00 31.45 C ATOM 943 C ILE A 113 -6.971 5.162 -7.302 1.00 32.29 C ATOM 944 O ILE A 113 -7.832 4.294 -7.566 1.00 32.30 O ATOM 945 CB ILE A 113 -7.498 7.610 -6.768 1.00 31.30 C ATOM 946 CG1 ILE A 113 -7.880 8.600 -5.637 1.00 30.57 C ATOM 947 CG2 ILE A 113 -8.582 7.553 -7.858 1.00 29.16 C ATOM 948 CD1 ILE A 113 -9.235 8.292 -4.958 1.00 29.38 C ATOM 949 N ILE A 114 -5.795 5.266 -7.975 1.00 31.71 N ATOM 950 CA ILE A 114 -5.465 4.346 -9.087 1.00 31.55 C ATOM 951 C ILE A 114 -5.697 2.936 -8.640 1.00 31.98 C ATOM 952 O ILE A 114 -6.340 2.130 -9.349 1.00 31.17 O ATOM 953 CB ILE A 114 -3.997 4.466 -9.547 1.00 31.62 C ATOM 954 CG1 ILE A 114 -3.762 5.793 -10.252 1.00 31.95 C ATOM 955 CG2 ILE A 114 -3.648 3.316 -10.478 1.00 30.70 C ATOM 956 CD1 ILE A 114 -2.293 6.182 -10.351 1.00 34.09 C ATOM 957 N ILE A 115 -5.219 2.627 -7.438 1.00 32.34 N ATOM 958 CA ILE A 115 -5.333 1.279 -6.912 1.00 33.55 C ATOM 959 C ILE A 115 -6.786 0.894 -6.667 1.00 35.41 C ATOM 960 O ILE A 115 -7.172 -0.256 -6.892 1.00 37.09 O ATOM 961 CB ILE A 115 -4.486 1.065 -5.622 1.00 33.05 C ATOM 962 CG1 ILE A 115 -2.983 1.132 -5.958 1.00 31.13 C ATOM 963 CG2 ILE A 115 -4.853 -0.282 -4.960 1.00 30.73 C ATOM 964 CD1 ILE A 115 -2.072 0.727 -4.819 1.00 32.04 C ATOM 965 N GLU A 116 -7.606 1.874 -6.285 1.00 36.32 N ATOM 966 CA GLU A 116 -9.037 1.647 -6.107 1.00 37.65 C ATOM 967 C GLU A 116 -9.755 1.399 -7.414 1.00 37.62 C ATOM 968 O GLU A 116 -10.607 0.517 -7.495 1.00 37.90 O ATOM 969 CB GLU A 116 -9.686 2.816 -5.380 1.00 38.38 C ATOM 970 CG GLU A 116 -10.360 2.435 -4.105 1.00 41.97 C ATOM 971 CD GLU A 116 -10.799 3.648 -3.299 1.00 50.01 C ATOM 972 OE1 GLU A 116 -11.258 4.654 -3.925 1.00 51.64 O ATOM 973 OE2 GLU A 116 -10.692 3.600 -2.044 1.00 50.07 O ATOM 974 N VAL A 117 -9.448 2.190 -8.435 1.00 37.68 N ATOM 975 CA VAL A 117 -10.135 2.016 -9.732 1.00 38.76 C ATOM 976 C VAL A 117 -9.815 0.673 -10.415 1.00 38.26 C ATOM 977 O VAL A 117 -10.712 0.038 -10.986 1.00 38.97 O ATOM 978 CB VAL A 117 -9.947 3.233 -10.708 1.00 38.94 C ATOM 979 CG1 VAL A 117 -8.777 4.085 -10.282 1.00 41.34 C ATOM 980 CG2 VAL A 117 -9.788 2.754 -12.178 1.00 39.24 C ATOM 981 N VAL A 118 -8.567 0.206 -10.290 1.00 37.92 N ATOM 982 CA VAL A 118 -8.223 -1.171 -10.728 1.00 37.24 C ATOM 983 C VAL A 118 -9.148 -2.198 -10.078 1.00 39.12 C ATOM 984 O VAL A 118 -9.672 -3.102 -10.770 1.00 39.12 O ATOM 985 CB VAL A 118 -6.757 -1.560 -10.416 1.00 36.93 C ATOM 986 CG1 VAL A 118 -6.491 -3.035 -10.857 1.00 35.67 C ATOM 987 CG2 VAL A 118 -5.748 -0.578 -11.103 1.00 32.99 C ATOM 988 N CYS A 119 -9.353 -2.063 -8.749 1.00 39.82 N ATOM 989 CA CYS A 119 -10.284 -2.947 -7.983 1.00 41.88 C ATOM 990 C CYS A 119 -11.683 -3.018 -8.588 1.00 42.22 C ATOM 991 O CYS A 119 -12.359 -4.036 -8.480 1.00 42.83 O ATOM 992 CB CYS A 119 -10.414 -2.463 -6.542 1.00 42.82 C ATOM 993 SG CYS A 119 -9.297 -3.185 -5.398 1.00 47.89 S ATOM 994 N SER A 120 -12.159 -1.902 -9.120 1.00 42.75 N ATOM 995 CA SER A 120 -13.504 -1.856 -9.662 1.00 43.83 C ATOM 996 C SER A 120 -13.558 -2.471 -11.075 1.00 43.78 C ATOM 997 O SER A 120 -14.608 -2.881 -11.533 1.00 43.74 O ATOM 998 CB SER A 120 -14.058 -0.408 -9.660 1.00 44.20 C ATOM 999 OG SER A 120 -13.687 0.300 -10.855 1.00 45.29 O ATOM 1000 N CYS A 121 -12.409 -2.574 -11.726 1.00 43.98 N ATOM 1001 CA CYS A 121 -12.319 -3.341 -12.978 1.00 45.08 C ATOM 1002 C CYS A 121 -12.119 -4.833 -12.743 1.00 44.70 C ATOM 1003 O CYS A 121 -12.801 -5.644 -13.333 1.00 45.01 O ATOM 1004 CB CYS A 121 -11.227 -2.782 -13.873 1.00 45.27 C ATOM 1005 SG CYS A 121 -11.460 -1.053 -14.233 1.00 47.73 S ATOM 1006 N VAL A 122 -11.169 -5.177 -11.874 1.00 44.97 N ATOM 1007 CA VAL A 122 -10.899 -6.584 -11.505 1.00 44.96 C ATOM 1008 C VAL A 122 -10.867 -6.704 -10.003 1.00 44.69 C ATOM 1009 O VAL A 122 -10.355 -5.817 -9.316 1.00 45.00 O ATOM 1010 CB VAL A 122 -9.503 -7.068 -12.031 1.00 45.34 C ATOM 1011 CG1 VAL A 122 -9.602 -8.489 -12.625 1.00 44.66 C ATOM 1012 CG2 VAL A 122 -8.930 -6.088 -13.021 1.00 45.51 C ATOM 1013 N LYS A 123 -11.352 -7.823 -9.484 1.00 44.37 N ATOM 1014 CA LYS A 123 -11.274 -8.075 -8.038 1.00 44.48 C ATOM 1015 C LYS A 123 -9.847 -8.521 -7.635 1.00 43.50 C ATOM 1016 O LYS A 123 -9.412 -9.627 -7.970 1.00 44.37 O ATOM 1017 CB LYS A 123 -12.314 -9.124 -7.608 1.00 44.06 C ATOM 1018 N LEU A 124 -9.115 -7.635 -6.969 1.00 41.68 N ATOM 1019 CA LEU A 124 -7.823 -8.001 -6.396 1.00 40.73 C ATOM 1020 C LEU A 124 -8.029 -8.675 -5.010 1.00 40.97 C ATOM 1021 O LEU A 124 -9.023 -8.430 -4.344 1.00 40.28 O ATOM 1022 CB LEU A 124 -6.908 -6.758 -6.273 1.00 39.33 C ATOM 1023 CG LEU A 124 -6.705 -5.893 -7.543 1.00 39.04 C ATOM 1024 CD1 LEU A 124 -5.742 -4.706 -7.296 1.00 35.37 C ATOM 1025 CD2 LEU A 124 -6.232 -6.738 -8.742 1.00 36.15 C ATOM 1026 N ASN A 125 -7.107 -9.548 -4.624 1.00 41.18 N ATOM 1027 CA ASN A 125 -7.025 -10.014 -3.231 1.00 42.73 C ATOM 1028 C ASN A 125 -5.963 -9.240 -2.457 1.00 43.27 C ATOM 1029 O ASN A 125 -5.289 -8.371 -3.022 1.00 43.48 O ATOM 1030 CB ASN A 125 -6.729 -11.523 -3.174 1.00 42.67 C ATOM 1031 CG ASN A 125 -5.517 -11.911 -4.003 1.00 43.53 C ATOM 1032 OD1 ASN A 125 -4.384 -11.459 -3.738 1.00 43.93 O ATOM 1033 ND2 ASN A 125 -5.743 -12.698 -5.032 1.00 41.67 N ATOM 1034 N GLU A 126 -5.787 -9.585 -1.173 1.00 44.39 N ATOM 1035 CA GLU A 126 -4.903 -8.808 -0.260 1.00 45.22 C ATOM 1036 C GLU A 126 -3.479 -8.777 -0.739 1.00 44.62 C ATOM 1037 O GLU A 126 -2.804 -7.777 -0.595 1.00 44.51 O ATOM 1038 CB GLU A 126 -4.940 -9.365 1.185 1.00 45.92 C ATOM 1039 CG GLU A 126 -6.002 -10.353 1.447 1.00 48.93 C ATOM 1040 CD GLU A 126 -5.684 -11.678 0.872 1.00 54.27 C ATOM 1041 OE1 GLU A 126 -4.534 -12.149 1.059 1.00 56.89 O ATOM 1042 OE2 GLU A 126 -6.559 -12.251 0.194 1.00 56.17 O ATOM 1043 N LYS A 127 -3.006 -9.906 -1.259 1.00 44.70 N ATOM 1044 CA LYS A 127 -1.619 -10.027 -1.708 1.00 45.31 C ATOM 1045 C LYS A 127 -1.355 -9.167 -2.939 1.00 43.78 C ATOM 1046 O LYS A 127 -0.258 -8.639 -3.115 1.00 43.84 O ATOM 1047 CB LYS A 127 -1.275 -11.487 -2.005 1.00 45.56 C ATOM 1048 CG LYS A 127 -0.628 -12.235 -0.824 1.00 49.09 C ATOM 1049 CD LYS A 127 -0.470 -13.752 -1.147 1.00 48.23 C ATOM 1050 CE LYS A 127 0.786 -14.348 -0.477 1.00 51.34 C ATOM 1051 NZ LYS A 127 0.884 -15.847 -0.706 1.00 52.86 N ATOM 1052 N GLN A 128 -2.370 -9.019 -3.779 1.00 42.56 N ATOM 1053 CA GLN A 128 -2.236 -8.245 -5.007 1.00 41.26 C ATOM 1054 C GLN A 128 -2.358 -6.758 -4.752 1.00 39.94 C ATOM 1055 O GLN A 128 -1.622 -5.947 -5.364 1.00 39.34 O ATOM 1056 CB GLN A 128 -3.256 -8.702 -6.048 1.00 41.60 C ATOM 1057 CG GLN A 128 -2.960 -10.091 -6.603 1.00 43.71 C ATOM 1058 CD GLN A 128 -4.160 -10.741 -7.240 1.00 47.48 C ATOM 1059 OE1 GLN A 128 -5.274 -10.198 -7.214 1.00 46.91 O ATOM 1060 NE2 GLN A 128 -3.946 -11.922 -7.830 1.00 50.99 N ATOM 1061 N VAL A 129 -3.261 -6.380 -3.825 1.00 37.43 N ATOM 1062 CA VAL A 129 -3.300 -5.023 -3.346 1.00 34.74 C ATOM 1063 C VAL A 129 -1.922 -4.659 -2.803 1.00 34.33 C ATOM 1064 O VAL A 129 -1.311 -3.678 -3.239 1.00 35.00 O ATOM 1065 CB VAL A 129 -4.438 -4.802 -2.257 1.00 34.89 C ATOM 1066 CG1 VAL A 129 -4.212 -3.505 -1.476 1.00 33.79 C ATOM 1067 CG2 VAL A 129 -5.803 -4.775 -2.914 1.00 34.14 C ATOM 1068 N HIS A 130 -1.387 -5.513 -1.941 1.00 33.23 N ATOM 1069 CA HIS A 130 -0.081 -5.273 -1.320 1.00 32.46 C ATOM 1070 C HIS A 130 1.023 -5.013 -2.371 1.00 31.72 C ATOM 1071 O HIS A 130 1.787 -4.057 -2.261 1.00 32.51 O ATOM 1072 CB HIS A 130 0.303 -6.450 -0.426 1.00 32.07 C ATOM 1073 CG HIS A 130 1.495 -6.187 0.438 1.00 32.87 C ATOM 1074 ND1 HIS A 130 2.641 -6.962 0.388 1.00 32.01 N ATOM 1075 CD2 HIS A 130 1.723 -5.239 1.377 1.00 30.09 C ATOM 1076 CE1 HIS A 130 3.514 -6.506 1.266 1.00 30.78 C ATOM 1077 NE2 HIS A 130 2.978 -5.468 1.888 1.00 32.85 N ATOM 1078 N ALA A 131 1.066 -5.851 -3.395 1.00 30.34 N ATOM 1079 CA ALA A 131 2.060 -5.736 -4.446 1.00 28.75 C ATOM 1080 C ALA A 131 1.898 -4.449 -5.279 1.00 28.29 C ATOM 1081 O ALA A 131 2.888 -3.840 -5.680 1.00 28.56 O ATOM 1082 CB ALA A 131 2.023 -6.960 -5.341 1.00 28.06 C ATOM 1083 N TYR A 132 0.655 -4.046 -5.538 1.00 28.17 N ATOM 1084 CA TYR A 132 0.394 -2.770 -6.241 1.00 28.67 C ATOM 1085 C TYR A 132 0.920 -1.567 -5.479 1.00 29.00 C ATOM 1086 O TYR A 132 1.344 -0.596 -6.075 1.00 29.48 O ATOM 1087 CB TYR A 132 -1.081 -2.590 -6.526 1.00 28.63 C ATOM 1088 CG TYR A 132 -1.489 -3.019 -7.904 1.00 30.34 C ATOM 1089 CD1 TYR A 132 -2.142 -4.235 -8.109 1.00 28.39 C ATOM 1090 CD2 TYR A 132 -1.216 -2.220 -9.015 1.00 32.38 C ATOM 1091 CE1 TYR A 132 -2.522 -4.631 -9.355 1.00 31.64 C ATOM 1092 CE2 TYR A 132 -1.611 -2.614 -10.292 1.00 32.70 C ATOM 1093 CZ TYR A 132 -2.256 -3.824 -10.454 1.00 30.91 C ATOM 1094 OH TYR A 132 -2.631 -4.245 -11.707 1.00 29.97 O ATOM 1095 N HIS A 133 0.875 -1.634 -4.155 1.00 29.66 N ATOM 1096 CA HIS A 133 1.435 -0.572 -3.325 1.00 30.40 C ATOM 1097 C HIS A 133 2.940 -0.500 -3.404 1.00 30.05 C ATOM 1098 O HIS A 133 3.505 0.601 -3.485 1.00 30.02 O ATOM 1099 CB HIS A 133 0.984 -0.711 -1.868 1.00 30.43 C ATOM 1100 CG HIS A 133 -0.293 0.001 -1.567 1.00 31.68 C ATOM 1101 ND1 HIS A 133 -1.520 -0.640 -1.548 1.00 35.87 N ATOM 1102 CD2 HIS A 133 -0.543 1.296 -1.282 1.00 31.17 C ATOM 1103 CE1 HIS A 133 -2.467 0.238 -1.268 1.00 33.06 C ATOM 1104 NE2 HIS A 133 -1.903 1.420 -1.109 1.00 33.85 N ATOM 1105 N LYS A 134 3.607 -1.670 -3.362 1.00 30.31 N ATOM 1106 CA LYS A 134 5.113 -1.727 -3.485 1.00 30.32 C ATOM 1107 C LYS A 134 5.598 -1.210 -4.850 1.00 30.34 C ATOM 1108 O LYS A 134 6.630 -0.524 -4.938 1.00 30.62 O ATOM 1109 CB LYS A 134 5.635 -3.142 -3.253 1.00 30.39 C ATOM 1110 CG LYS A 134 5.486 -3.640 -1.840 1.00 30.43 C ATOM 1111 CD LYS A 134 6.255 -4.937 -1.644 1.00 31.03 C ATOM 1112 CE LYS A 134 5.482 -6.125 -2.193 1.00 36.35 C ATOM 1113 NZ LYS A 134 6.405 -7.266 -2.589 1.00 39.45 N ATOM 1114 N PHE A 135 4.840 -1.536 -5.900 1.00 29.17 N ATOM 1115 CA PHE A 135 5.069 -1.005 -7.215 1.00 29.54 C ATOM 1116 C PHE A 135 5.169 0.530 -7.190 1.00 29.72 C ATOM 1117 O PHE A 135 6.211 1.119 -7.584 1.00 28.41 O ATOM 1118 CB PHE A 135 3.929 -1.460 -8.166 1.00 30.59 C ATOM 1119 CG PHE A 135 4.010 -0.867 -9.553 1.00 31.43 C ATOM 1120 CD1 PHE A 135 4.786 -1.482 -10.548 1.00 31.47 C ATOM 1121 CD2 PHE A 135 3.252 0.275 -9.890 1.00 33.07 C ATOM 1122 CE1 PHE A 135 4.835 -0.945 -11.865 1.00 34.16 C ATOM 1123 CE2 PHE A 135 3.294 0.822 -11.219 1.00 33.83 C ATOM 1124 CZ PHE A 135 4.086 0.217 -12.190 1.00 31.32 C ATOM 1125 N PHE A 136 4.095 1.181 -6.729 1.00 29.84 N ATOM 1126 CA PHE A 136 4.009 2.640 -6.793 1.00 29.88 C ATOM 1127 C PHE A 136 4.941 3.311 -5.802 1.00 30.38 C ATOM 1128 O PHE A 136 5.580 4.330 -6.136 1.00 30.90 O ATOM 1129 CB PHE A 136 2.580 3.117 -6.605 1.00 29.75 C ATOM 1130 CG PHE A 136 1.763 3.099 -7.865 1.00 29.95 C ATOM 1131 CD1 PHE A 136 1.951 4.071 -8.851 1.00 28.40 C ATOM 1132 CD2 PHE A 136 0.780 2.140 -8.055 1.00 28.50 C ATOM 1133 CE1 PHE A 136 1.185 4.066 -10.006 1.00 30.36 C ATOM 1134 CE2 PHE A 136 0.000 2.130 -9.228 1.00 29.05 C ATOM 1135 CZ PHE A 136 0.199 3.086 -10.191 1.00 28.66 C ATOM 1136 N ASP A 137 5.094 2.712 -4.613 1.00 30.24 N ATOM 1137 CA ASP A 137 6.149 3.140 -3.678 1.00 32.39 C ATOM 1138 C ASP A 137 7.535 3.242 -4.363 1.00 32.85 C ATOM 1139 O ASP A 137 8.234 4.232 -4.222 1.00 33.20 O ATOM 1140 CB ASP A 137 6.245 2.182 -2.498 1.00 33.11 C ATOM 1141 CG ASP A 137 5.157 2.388 -1.489 1.00 35.14 C ATOM 1142 OD1 ASP A 137 4.363 3.334 -1.640 1.00 37.90 O ATOM 1143 OD2 ASP A 137 5.068 1.571 -0.552 1.00 39.30 O ATOM 1144 N ARG A 138 7.917 2.190 -5.069 1.00 34.25 N ATOM 1145 CA ARG A 138 9.223 2.118 -5.703 1.00 35.41 C ATOM 1146 C ARG A 138 9.347 3.160 -6.824 1.00 35.90 C ATOM 1147 O ARG A 138 10.321 3.892 -6.885 1.00 35.91 O ATOM 1148 CB ARG A 138 9.470 0.693 -6.241 1.00 35.52 C ATOM 1149 CG ARG A 138 10.844 0.467 -6.831 1.00 37.69 C ATOM 1150 CD ARG A 138 11.926 1.014 -5.936 1.00 41.07 C ATOM 1151 NE ARG A 138 12.357 0.042 -4.940 1.00 42.78 N ATOM 1152 CZ ARG A 138 13.453 -0.702 -5.047 1.00 42.54 C ATOM 1153 NH1 ARG A 138 14.237 -0.586 -6.111 1.00 44.27 N ATOM 1154 NH2 ARG A 138 13.771 -1.549 -4.088 1.00 41.08 N ATOM 1155 N ALA A 139 8.318 3.246 -7.673 1.00 37.09 N ATOM 1156 CA ALA A 139 8.244 4.278 -8.724 1.00 37.21 C ATOM 1157 C ALA A 139 8.420 5.676 -8.147 1.00 37.99 C ATOM 1158 O ALA A 139 9.202 6.490 -8.671 1.00 37.20 O ATOM 1159 CB ALA A 139 6.917 4.176 -9.470 1.00 37.68 C ATOM 1160 N TYR A 140 7.699 5.952 -7.053 1.00 39.14 N ATOM 1161 CA TYR A 140 7.785 7.259 -6.364 1.00 39.13 C ATOM 1162 C TYR A 140 9.153 7.469 -5.692 1.00 39.56 C ATOM 1163 O TYR A 140 9.686 8.582 -5.674 1.00 39.61 O ATOM 1164 CB TYR A 140 6.645 7.413 -5.330 1.00 38.79 C ATOM 1165 CG TYR A 140 5.237 7.552 -5.948 1.00 39.34 C ATOM 1166 CD1 TYR A 140 4.078 7.279 -5.189 1.00 38.76 C ATOM 1167 CD2 TYR A 140 5.072 7.943 -7.268 1.00 39.02 C ATOM 1168 CE1 TYR A 140 2.806 7.413 -5.744 1.00 37.78 C ATOM 1169 CE2 TYR A 140 3.791 8.065 -7.838 1.00 38.63 C ATOM 1170 CZ TYR A 140 2.677 7.808 -7.078 1.00 38.25 C ATOM 1171 OH TYR A 140 1.432 7.951 -7.645 1.00 38.94 O ATOM 1172 N ASP A 141 9.724 6.409 -5.150 1.00 40.06 N ATOM 1173 CA ASP A 141 11.061 6.528 -4.529 1.00 40.47 C ATOM 1174 C ASP A 141 12.123 6.869 -5.550 1.00 41.08 C ATOM 1175 O ASP A 141 13.010 7.704 -5.283 1.00 41.52 O ATOM 1176 CB ASP A 141 11.436 5.266 -3.765 1.00 39.71 C ATOM 1177 CG ASP A 141 10.655 5.116 -2.483 1.00 40.06 C ATOM 1178 OD1 ASP A 141 10.150 6.138 -1.970 1.00 39.06 O ATOM 1179 OD2 ASP A 141 10.502 3.971 -2.012 1.00 41.95 O ATOM 1180 N ILE A 142 12.032 6.244 -6.737 1.00 41.49 N ATOM 1181 CA ILE A 142 12.929 6.566 -7.842 1.00 42.02 C ATOM 1182 C ILE A 142 12.733 8.004 -8.313 1.00 41.58 C ATOM 1183 O ILE A 142 13.674 8.765 -8.367 1.00 41.72 O ATOM 1184 CB ILE A 142 12.763 5.579 -9.046 1.00 42.82 C ATOM 1185 CG1 ILE A 142 13.235 4.173 -8.654 1.00 43.29 C ATOM 1186 CG2 ILE A 142 13.551 6.087 -10.283 1.00 42.24 C ATOM 1187 CD1 ILE A 142 12.733 3.072 -9.602 1.00 42.52 C ATOM 1188 N ALA A 143 11.488 8.375 -8.604 1.00 41.89 N ATOM 1189 CA ALA A 143 11.181 9.739 -9.103 1.00 42.38 C ATOM 1190 C ALA A 143 11.780 10.821 -8.214 1.00 43.00 C ATOM 1191 O ALA A 143 12.396 11.754 -8.702 1.00 43.04 O ATOM 1192 CB ALA A 143 9.670 9.939 -9.248 1.00 41.25 C ATOM 1193 N PHE A 144 11.612 10.671 -6.899 1.00 43.84 N ATOM 1194 CA PHE A 144 11.976 11.725 -5.953 1.00 45.25 C ATOM 1195 C PHE A 144 13.482 11.818 -5.729 1.00 47.32 C ATOM 1196 O PHE A 144 14.017 12.913 -5.509 1.00 48.26 O ATOM 1197 CB PHE A 144 11.239 11.547 -4.612 1.00 43.87 C ATOM 1198 CG PHE A 144 9.927 12.270 -4.548 1.00 42.19 C ATOM 1199 CD1 PHE A 144 8.797 11.749 -5.176 1.00 40.36 C ATOM 1200 CD2 PHE A 144 9.822 13.500 -3.889 1.00 40.12 C ATOM 1201 CE1 PHE A 144 7.600 12.433 -5.148 1.00 41.04 C ATOM 1202 CE2 PHE A 144 8.617 14.187 -3.846 1.00 36.92 C ATOM 1203 CZ PHE A 144 7.513 13.669 -4.473 1.00 40.87 C ATOM 1204 N ALA A 145 14.161 10.673 -5.767 1.00 49.03 N ATOM 1205 CA ALA A 145 15.617 10.643 -5.638 1.00 50.93 C ATOM 1206 C ALA A 145 16.249 11.387 -6.788 1.00 52.44 C ATOM 1207 O ALA A 145 17.330 11.970 -6.645 1.00 53.18 O ATOM 1208 CB ALA A 145 16.129 9.189 -5.590 1.00 50.59 C ATOM 1209 N GLU A 146 15.562 11.385 -7.931 1.00 53.51 N ATOM 1210 CA GLU A 146 16.071 12.006 -9.123 1.00 55.06 C ATOM 1211 C GLU A 146 15.794 13.509 -9.108 1.00 56.10 C ATOM 1212 O GLU A 146 16.630 14.316 -9.559 1.00 56.40 O ATOM 1213 CB GLU A 146 15.455 11.356 -10.363 1.00 55.19 C ATOM 1214 CG GLU A 146 16.029 11.854 -11.685 1.00 56.14 C ATOM 1215 CD GLU A 146 17.516 11.589 -11.815 1.00 58.81 C ATOM 1216 OE1 GLU A 146 17.957 10.444 -11.492 1.00 57.77 O ATOM 1217 OE2 GLU A 146 18.251 12.522 -12.235 1.00 58.59 O ATOM 1218 N MET A 147 14.636 13.885 -8.555 1.00 56.77 N ATOM 1219 CA MET A 147 14.274 15.292 -8.385 1.00 57.21 C ATOM 1220 C MET A 147 15.157 15.979 -7.354 1.00 58.13 C ATOM 1221 O MET A 147 15.233 17.209 -7.313 1.00 58.71 O ATOM 1222 CB MET A 147 12.814 15.423 -7.967 1.00 56.88 C ATOM 1223 CG MET A 147 11.816 15.250 -9.099 1.00 56.79 C ATOM 1224 SD MET A 147 10.133 15.201 -8.476 1.00 56.47 S ATOM 1225 CE MET A 147 9.204 15.133 -9.978 1.00 55.67 C ATOM 1226 N ALA A 148 15.811 15.187 -6.506 1.00 58.96 N ATOM 1227 CA ALA A 148 16.686 15.738 -5.459 1.00 60.12 C ATOM 1228 C ALA A 148 17.932 16.438 -6.070 1.00 60.60 C ATOM 1229 O ALA A 148 18.876 16.768 -5.364 1.00 61.09 O ATOM 1230 CB ALA A 148 17.108 14.625 -4.462 1.00 59.93 C ATOM 1231 N LYS A 149 17.899 16.652 -7.389 1.00 61.17 N ATOM 1232 CA LYS A 149 18.972 17.362 -8.110 1.00 61.50 C ATOM 1233 C LYS A 149 18.367 18.437 -9.050 1.00 61.59 C ATOM 1234 O LYS A 149 17.959 18.135 -10.185 1.00 61.27 O ATOM 1235 CB LYS A 149 19.826 16.361 -8.911 1.00 61.55 C ATOM 1236 CG LYS A 149 20.307 15.146 -8.077 1.00 62.08 C ATOM 1237 CD LYS A 149 20.326 13.848 -8.891 1.00 59.92 C ATOM 1238 CE LYS A 149 20.404 12.622 -7.959 1.00 60.56 C ATOM 1239 NZ LYS A 149 20.980 11.407 -8.636 1.00 59.01 N ATOM 1240 N MET A 150 18.278 19.674 -8.549 1.00 61.81 N ATOM 1241 CA MET A 150 17.602 20.760 -9.269 1.00 61.64 C TER 1242 MET A 150 ATOM 1243 N MET B 1 -9.480 8.222 4.742 1.00 50.35 N ATOM 1244 CA MET B 1 -9.643 7.177 5.817 1.00 50.27 C ATOM 1245 C MET B 1 -11.029 7.239 6.461 1.00 50.04 C ATOM 1246 O MET B 1 -11.256 8.029 7.396 1.00 50.32 O ATOM 1247 CB MET B 1 -8.551 7.337 6.895 1.00 50.10 C ATOM 1248 CG MET B 1 -8.441 6.157 7.874 1.00 51.59 C ATOM 1249 SD MET B 1 -7.592 4.699 7.176 1.00 56.98 S ATOM 1250 CE MET B 1 -5.885 5.045 7.577 1.00 52.83 C ATOM 1251 N ASN B 2 -11.953 6.389 5.980 1.00 49.38 N ATOM 1252 CA ASN B 2 -13.317 6.337 6.540 1.00 48.99 C ATOM 1253 C ASN B 2 -13.401 5.559 7.870 1.00 48.39 C ATOM 1254 O ASN B 2 -12.473 4.860 8.243 1.00 48.46 O ATOM 1255 CB ASN B 2 -14.327 5.802 5.504 1.00 49.14 C ATOM 1256 CG ASN B 2 -14.150 4.305 5.210 1.00 50.99 C ATOM 1257 OD1 ASN B 2 -14.294 3.449 6.108 1.00 52.52 O ATOM 1258 ND2 ASN B 2 -13.918 3.980 3.945 1.00 51.10 N ATOM 1259 N SER B 3 -14.498 5.725 8.594 1.00 47.78 N ATOM 1260 CA SER B 3 -14.537 5.287 9.990 1.00 47.81 C ATOM 1261 C SER B 3 -14.566 3.775 10.126 1.00 47.16 C ATOM 1262 O SER B 3 -14.135 3.234 11.129 1.00 47.31 O ATOM 1263 CB SER B 3 -15.707 5.929 10.748 1.00 47.46 C ATOM 1264 OG SER B 3 -16.937 5.504 10.223 1.00 48.28 O ATOM 1265 N GLU B 4 -15.052 3.098 9.100 1.00 46.88 N ATOM 1266 CA GLU B 4 -14.978 1.650 9.046 1.00 46.73 C ATOM 1267 C GLU B 4 -13.530 1.210 8.913 1.00 45.85 C ATOM 1268 O GLU B 4 -13.130 0.202 9.479 1.00 46.16 O ATOM 1269 CB GLU B 4 -15.805 1.109 7.865 1.00 47.37 C ATOM 1270 CG GLU B 4 -16.288 -0.322 8.058 1.00 51.02 C ATOM 1271 CD GLU B 4 -16.304 -1.135 6.755 1.00 54.54 C ATOM 1272 OE1 GLU B 4 -16.415 -0.522 5.663 1.00 57.52 O ATOM 1273 OE2 GLU B 4 -16.241 -2.390 6.833 1.00 53.62 O ATOM 1274 N GLU B 5 -12.748 1.981 8.157 1.00 44.45 N ATOM 1275 CA GLU B 5 -11.336 1.732 8.018 1.00 43.96 C ATOM 1276 C GLU B 5 -10.588 1.947 9.347 1.00 44.21 C ATOM 1277 O GLU B 5 -9.618 1.221 9.661 1.00 43.77 O ATOM 1278 CB GLU B 5 -10.742 2.626 6.922 1.00 44.33 C ATOM 1279 CG GLU B 5 -10.942 2.094 5.493 1.00 44.28 C ATOM 1280 CD GLU B 5 -10.539 3.095 4.438 1.00 43.84 C ATOM 1281 OE1 GLU B 5 -11.055 4.220 4.472 1.00 45.81 O ATOM 1282 OE2 GLU B 5 -9.707 2.754 3.562 1.00 44.05 O ATOM 1283 N VAL B 6 -11.028 2.948 10.118 1.00 43.87 N ATOM 1284 CA VAL B 6 -10.441 3.226 11.427 1.00 43.75 C ATOM 1285 C VAL B 6 -10.682 2.063 12.397 1.00 44.12 C ATOM 1286 O VAL B 6 -9.749 1.618 13.110 1.00 43.44 O ATOM 1287 CB VAL B 6 -10.994 4.525 12.027 1.00 43.72 C ATOM 1288 CG1 VAL B 6 -10.480 4.715 13.438 1.00 44.35 C ATOM 1289 CG2 VAL B 6 -10.606 5.732 11.144 1.00 43.26 C ATOM 1290 N ASN B 7 -11.921 1.550 12.393 1.00 44.50 N ATOM 1291 CA ASN B 7 -12.306 0.410 13.222 1.00 44.97 C ATOM 1292 C ASN B 7 -11.445 -0.807 12.964 1.00 44.34 C ATOM 1293 O ASN B 7 -10.968 -1.442 13.893 1.00 44.52 O ATOM 1294 CB ASN B 7 -13.781 0.061 12.998 1.00 45.71 C ATOM 1295 CG ASN B 7 -14.292 -1.029 13.973 1.00 50.20 C ATOM 1296 OD1 ASN B 7 -14.727 -0.724 15.107 1.00 54.00 O ATOM 1297 ND2 ASN B 7 -14.259 -2.303 13.526 1.00 51.81 N ATOM 1298 N ASP B 8 -11.232 -1.121 11.689 1.00 43.95 N ATOM 1299 CA ASP B 8 -10.476 -2.305 11.315 1.00 43.31 C ATOM 1300 C ASP B 8 -9.015 -2.276 11.815 1.00 42.51 C ATOM 1301 O ASP B 8 -8.535 -3.249 12.424 1.00 42.19 O ATOM 1302 CB ASP B 8 -10.526 -2.515 9.819 1.00 44.28 C ATOM 1303 CG ASP B 8 -11.794 -3.216 9.375 1.00 45.87 C ATOM 1304 OD1 ASP B 8 -12.172 -4.216 10.012 1.00 49.50 O ATOM 1305 OD2 ASP B 8 -12.403 -2.777 8.383 1.00 46.51 O ATOM 1306 N ILE B 9 -8.325 -1.158 11.577 1.00 41.23 N ATOM 1307 CA ILE B 9 -6.952 -0.993 12.053 1.00 39.94 C ATOM 1308 C ILE B 9 -6.855 -1.172 13.575 1.00 39.40 C ATOM 1309 O ILE B 9 -6.009 -1.921 14.066 1.00 39.72 O ATOM 1310 CB ILE B 9 -6.368 0.365 11.643 1.00 39.98 C ATOM 1311 CG1 ILE B 9 -6.383 0.513 10.121 1.00 40.08 C ATOM 1312 CG2 ILE B 9 -4.948 0.531 12.188 1.00 38.07 C ATOM 1313 CD1 ILE B 9 -6.147 1.923 9.651 1.00 42.24 C ATOM 1314 N LYS B 10 -7.745 -0.522 14.304 1.00 38.71 N ATOM 1315 CA LYS B 10 -7.783 -0.654 15.778 1.00 39.12 C ATOM 1316 C LYS B 10 -8.088 -2.100 16.241 1.00 38.79 C ATOM 1317 O LYS B 10 -7.315 -2.697 17.000 1.00 38.64 O ATOM 1318 CB LYS B 10 -8.790 0.321 16.377 1.00 38.74 C ATOM 1319 CG LYS B 10 -8.293 1.719 16.443 1.00 38.23 C ATOM 1320 CD LYS B 10 -9.333 2.624 16.999 1.00 40.72 C ATOM 1321 CE LYS B 10 -8.705 3.827 17.696 1.00 43.61 C ATOM 1322 NZ LYS B 10 -8.410 4.929 16.733 1.00 42.76 N ATOM 1323 N ARG B 11 -9.190 -2.656 15.745 1.00 38.51 N ATOM 1324 CA ARG B 11 -9.503 -4.078 15.938 1.00 38.97 C ATOM 1325 C ARG B 11 -8.287 -5.013 15.687 1.00 38.09 C ATOM 1326 O ARG B 11 -7.749 -5.603 16.620 1.00 38.62 O ATOM 1327 CB ARG B 11 -10.674 -4.489 15.055 1.00 39.77 C ATOM 1328 CG ARG B 11 -11.943 -4.789 15.812 1.00 42.99 C ATOM 1329 CD ARG B 11 -12.505 -6.193 15.442 1.00 48.45 C ATOM 1330 NE ARG B 11 -11.934 -6.715 14.191 1.00 51.17 N ATOM 1331 CZ ARG B 11 -12.300 -6.318 12.975 1.00 51.86 C ATOM 1332 NH1 ARG B 11 -13.243 -5.399 12.829 1.00 52.57 N ATOM 1333 NH2 ARG B 11 -11.725 -6.842 11.908 1.00 53.17 N ATOM 1334 N THR B 12 -7.852 -5.112 14.434 1.00 37.13 N ATOM 1335 CA THR B 12 -6.755 -6.046 14.067 1.00 36.37 C ATOM 1336 C THR B 12 -5.434 -5.786 14.821 1.00 35.91 C ATOM 1337 O THR B 12 -4.715 -6.715 15.144 1.00 35.59 O ATOM 1338 CB THR B 12 -6.485 -6.049 12.560 1.00 36.17 C ATOM 1339 OG1 THR B 12 -6.326 -4.702 12.101 1.00 35.70 O ATOM 1340 CG2 THR B 12 -7.624 -6.699 11.830 1.00 35.24 C ATOM 1341 N TRP B 13 -5.123 -4.517 15.078 1.00 36.34 N ATOM 1342 CA TRP B 13 -3.859 -4.169 15.702 1.00 35.83 C ATOM 1343 C TRP B 13 -3.775 -4.679 17.163 1.00 37.19 C ATOM 1344 O TRP B 13 -2.676 -5.038 17.649 1.00 36.81 O ATOM 1345 CB TRP B 13 -3.610 -2.657 15.631 1.00 35.15 C ATOM 1346 CG TRP B 13 -2.357 -2.231 16.338 1.00 34.17 C ATOM 1347 CD1 TRP B 13 -2.271 -1.665 17.567 1.00 32.23 C ATOM 1348 CD2 TRP B 13 -0.999 -2.370 15.861 1.00 32.71 C ATOM 1349 NE1 TRP B 13 -0.946 -1.444 17.900 1.00 32.52 N ATOM 1350 CE2 TRP B 13 -0.149 -1.872 16.875 1.00 32.06 C ATOM 1351 CE3 TRP B 13 -0.425 -2.884 14.682 1.00 32.69 C ATOM 1352 CZ2 TRP B 13 1.255 -1.856 16.750 1.00 33.93 C ATOM 1353 CZ3 TRP B 13 0.971 -2.871 14.553 1.00 34.48 C ATOM 1354 CH2 TRP B 13 1.795 -2.356 15.590 1.00 34.31 C ATOM 1355 N GLU B 14 -4.930 -4.739 17.858 1.00 38.14 N ATOM 1356 CA GLU B 14 -4.959 -5.271 19.254 1.00 39.07 C ATOM 1357 C GLU B 14 -4.389 -6.693 19.333 1.00 39.17 C ATOM 1358 O GLU B 14 -3.745 -7.067 20.335 1.00 39.96 O ATOM 1359 CB GLU B 14 -6.361 -5.221 19.854 1.00 38.53 C ATOM 1360 CG GLU B 14 -6.759 -3.853 20.416 1.00 41.19 C ATOM 1361 CD GLU B 14 -5.775 -3.326 21.492 1.00 46.47 C ATOM 1362 OE1 GLU B 14 -5.337 -4.121 22.373 1.00 47.74 O ATOM 1363 OE2 GLU B 14 -5.466 -2.112 21.467 1.00 49.48 O ATOM 1364 N VAL B 15 -4.556 -7.459 18.265 1.00 38.63 N ATOM 1365 CA VAL B 15 -3.980 -8.800 18.216 1.00 38.71 C ATOM 1366 C VAL B 15 -2.439 -8.730 18.289 1.00 39.25 C ATOM 1367 O VAL B 15 -1.805 -9.505 19.022 1.00 40.11 O ATOM 1368 CB VAL B 15 -4.430 -9.599 16.922 1.00 38.82 C ATOM 1369 CG1 VAL B 15 -3.639 -10.920 16.790 1.00 36.66 C ATOM 1370 CG2 VAL B 15 -5.921 -9.865 16.948 1.00 36.93 C ATOM 1371 N VAL B 16 -1.854 -7.772 17.561 1.00 38.91 N ATOM 1372 CA VAL B 16 -0.391 -7.617 17.499 1.00 38.59 C ATOM 1373 C VAL B 16 0.187 -7.063 18.820 1.00 38.46 C ATOM 1374 O VAL B 16 1.236 -7.501 19.279 1.00 38.08 O ATOM 1375 CB VAL B 16 0.034 -6.700 16.302 1.00 38.47 C ATOM 1376 CG1 VAL B 16 1.472 -6.230 16.462 1.00 39.24 C ATOM 1377 CG2 VAL B 16 -0.135 -7.426 15.005 1.00 37.49 C ATOM 1378 N ALA B 17 -0.534 -6.131 19.427 1.00 39.22 N ATOM 1379 CA ALA B 17 -0.062 -5.428 20.631 1.00 40.04 C ATOM 1380 C ALA B 17 -0.109 -6.331 21.877 1.00 40.95 C ATOM 1381 O ALA B 17 0.459 -5.997 22.916 1.00 41.40 O ATOM 1382 CB ALA B 17 -0.885 -4.163 20.859 1.00 39.15 C ATOM 1383 N ALA B 18 -0.781 -7.476 21.750 1.00 41.52 N ATOM 1384 CA ALA B 18 -0.808 -8.485 22.801 1.00 42.27 C ATOM 1385 C ALA B 18 0.554 -9.167 23.009 1.00 42.91 C ATOM 1386 O ALA B 18 0.805 -9.762 24.071 1.00 42.59 O ATOM 1387 CB ALA B 18 -1.868 -9.518 22.504 1.00 41.87 C ATOM 1388 N LYS B 19 1.413 -9.104 21.984 1.00 43.90 N ATOM 1389 CA LYS B 19 2.714 -9.787 22.010 1.00 45.26 C ATOM 1390 C LYS B 19 3.803 -8.957 21.296 1.00 45.59 C ATOM 1391 O LYS B 19 4.483 -9.445 20.389 1.00 45.82 O ATOM 1392 CB LYS B 19 2.602 -11.197 21.397 1.00 46.06 C ATOM 1393 CG LYS B 19 2.083 -11.218 19.950 1.00 48.31 C ATOM 1394 CD LYS B 19 1.341 -12.515 19.636 1.00 52.85 C ATOM 1395 CE LYS B 19 1.000 -12.619 18.132 1.00 51.66 C ATOM 1396 NZ LYS B 19 2.212 -12.420 17.278 1.00 54.07 N ATOM 1397 N MET B 20 3.996 -7.722 21.772 1.00 46.36 N ATOM 1398 CA MET B 20 4.878 -6.740 21.124 1.00 46.11 C ATOM 1399 C MET B 20 6.283 -7.280 20.843 1.00 46.45 C ATOM 1400 O MET B 20 6.878 -6.984 19.802 1.00 47.12 O ATOM 1401 CB MET B 20 4.973 -5.473 21.980 1.00 46.18 C ATOM 1402 CG MET B 20 3.666 -4.709 22.111 1.00 46.86 C ATOM 1403 SD MET B 20 3.482 -3.416 20.873 1.00 48.03 S ATOM 1404 CE MET B 20 3.425 -4.389 19.372 1.00 50.14 C ATOM 1405 N THR B 21 6.831 -8.020 21.787 1.00 46.25 N ATOM 1406 CA THR B 21 8.195 -8.464 21.679 1.00 46.18 C ATOM 1407 C THR B 21 8.328 -9.566 20.660 1.00 46.27 C ATOM 1408 O THR B 21 9.254 -9.566 19.846 1.00 46.28 O ATOM 1409 CB THR B 21 8.739 -8.935 23.018 1.00 46.20 C ATOM 1410 OG1 THR B 21 8.853 -7.814 23.901 1.00 46.20 O ATOM 1411 CG2 THR B 21 10.116 -9.578 22.837 1.00 45.11 C ATOM 1412 N GLU B 22 7.405 -10.509 20.693 1.00 46.24 N ATOM 1413 CA GLU B 22 7.398 -11.557 19.712 1.00 46.71 C ATOM 1414 C GLU B 22 7.214 -10.999 18.277 1.00 45.89 C ATOM 1415 O GLU B 22 7.989 -11.316 17.388 1.00 46.22 O ATOM 1416 CB GLU B 22 6.341 -12.582 20.032 1.00 46.90 C ATOM 1417 CG GLU B 22 6.754 -13.963 19.713 1.00 50.50 C ATOM 1418 CD GLU B 22 5.766 -14.981 20.188 1.00 55.80 C ATOM 1419 OE1 GLU B 22 5.346 -14.904 21.369 1.00 56.38 O ATOM 1420 OE2 GLU B 22 5.399 -15.870 19.382 1.00 59.47 O ATOM 1421 N ALA B 23 6.230 -10.118 18.092 1.00 44.77 N ATOM 1422 CA ALA B 23 5.961 -9.530 16.764 1.00 44.13 C ATOM 1423 C ALA B 23 7.119 -8.643 16.248 1.00 43.74 C ATOM 1424 O ALA B 23 7.357 -8.556 15.036 1.00 43.49 O ATOM 1425 CB ALA B 23 4.667 -8.763 16.776 1.00 43.42 C ATOM 1426 N GLY B 24 7.839 -8.011 17.170 1.00 43.53 N ATOM 1427 CA GLY B 24 8.920 -7.091 16.806 1.00 43.28 C ATOM 1428 C GLY B 24 10.198 -7.807 16.431 1.00 43.33 C ATOM 1429 O GLY B 24 10.984 -7.315 15.617 1.00 43.42 O ATOM 1430 N VAL B 25 10.426 -8.962 17.043 1.00 43.25 N ATOM 1431 CA VAL B 25 11.598 -9.766 16.725 1.00 43.14 C ATOM 1432 C VAL B 25 11.396 -10.489 15.387 1.00 43.13 C ATOM 1433 O VAL B 25 12.323 -10.593 14.581 1.00 42.59 O ATOM 1434 CB VAL B 25 11.929 -10.778 17.865 1.00 42.71 C ATOM 1435 CG1 VAL B 25 13.092 -11.652 17.483 1.00 43.63 C ATOM 1436 CG2 VAL B 25 12.241 -10.034 19.139 1.00 43.35 C ATOM 1437 N GLU B 26 10.160 -10.925 15.134 1.00 42.93 N ATOM 1438 CA GLU B 26 9.792 -11.470 13.829 1.00 43.23 C ATOM 1439 C GLU B 26 9.979 -10.409 12.731 1.00 43.11 C ATOM 1440 O GLU B 26 10.494 -10.702 11.648 1.00 43.17 O ATOM 1441 CB GLU B 26 8.355 -11.966 13.846 1.00 42.84 C ATOM 1442 CG GLU B 26 7.950 -12.734 12.610 1.00 46.52 C ATOM 1443 CD GLU B 26 8.818 -13.986 12.370 1.00 50.88 C ATOM 1444 OE1 GLU B 26 9.594 -13.991 11.395 1.00 52.54 O ATOM 1445 OE2 GLU B 26 8.719 -14.955 13.163 1.00 51.88 O ATOM 1446 N MET B 27 9.586 -9.173 13.045 1.00 42.76 N ATOM 1447 CA MET B 27 9.713 -8.045 12.128 1.00 42.40 C ATOM 1448 C MET B 27 11.194 -7.762 11.739 1.00 42.25 C ATOM 1449 O MET B 27 11.570 -7.858 10.557 1.00 41.45 O ATOM 1450 CB MET B 27 9.068 -6.802 12.751 1.00 42.50 C ATOM 1451 CG MET B 27 9.151 -5.561 11.924 1.00 41.25 C ATOM 1452 SD MET B 27 8.736 -4.091 12.895 1.00 43.67 S ATOM 1453 CE MET B 27 10.199 -3.945 13.941 1.00 40.74 C ATOM 1454 N LEU B 28 12.026 -7.445 12.737 1.00 42.21 N ATOM 1455 CA LEU B 28 13.443 -7.139 12.486 1.00 41.98 C ATOM 1456 C LEU B 28 14.165 -8.298 11.782 1.00 42.40 C ATOM 1457 O LEU B 28 14.991 -8.082 10.885 1.00 42.44 O ATOM 1458 CB LEU B 28 14.147 -6.795 13.774 1.00 41.72 C ATOM 1459 CG LEU B 28 13.822 -5.452 14.421 1.00 40.57 C ATOM 1460 CD1 LEU B 28 14.877 -5.140 15.487 1.00 37.87 C ATOM 1461 CD2 LEU B 28 13.762 -4.325 13.366 1.00 40.26 C ATOM 1462 N LYS B 29 13.834 -9.518 12.192 1.00 42.97 N ATOM 1463 CA LYS B 29 14.295 -10.754 11.525 1.00 43.59 C ATOM 1464 C LYS B 29 14.056 -10.725 10.002 1.00 42.99 C ATOM 1465 O LYS B 29 14.993 -10.894 9.210 1.00 42.30 O ATOM 1466 CB LYS B 29 13.570 -11.963 12.130 1.00 44.67 C ATOM 1467 CG LYS B 29 14.433 -13.170 12.372 1.00 47.86 C ATOM 1468 CD LYS B 29 13.722 -14.158 13.312 1.00 52.92 C ATOM 1469 CE LYS B 29 14.287 -15.568 13.175 1.00 55.20 C ATOM 1470 NZ LYS B 29 13.423 -16.573 13.868 1.00 55.93 N ATOM 1471 N ARG B 30 12.792 -10.557 9.604 1.00 42.31 N ATOM 1472 CA ARG B 30 12.432 -10.531 8.186 1.00 41.79 C ATOM 1473 C ARG B 30 13.024 -9.302 7.473 1.00 41.60 C ATOM 1474 O ARG B 30 13.473 -9.395 6.325 1.00 42.35 O ATOM 1475 CB ARG B 30 10.912 -10.537 8.012 1.00 41.98 C ATOM 1476 CG ARG B 30 10.186 -11.752 8.583 1.00 41.99 C ATOM 1477 CD ARG B 30 8.702 -11.468 8.642 1.00 45.08 C ATOM 1478 NE ARG B 30 7.926 -12.549 9.230 1.00 48.53 N ATOM 1479 CZ ARG B 30 6.895 -13.144 8.625 1.00 50.71 C ATOM 1480 NH1 ARG B 30 6.542 -12.782 7.396 1.00 50.29 N ATOM 1481 NH2 ARG B 30 6.218 -14.106 9.249 1.00 51.98 N ATOM 1482 N TYR B 31 12.994 -8.154 8.149 1.00 40.52 N ATOM 1483 CA TYR B 31 13.398 -6.886 7.542 1.00 39.93 C ATOM 1484 C TYR B 31 14.814 -6.964 6.971 1.00 41.16 C ATOM 1485 O TYR B 31 15.061 -6.538 5.845 1.00 41.33 O ATOM 1486 CB TYR B 31 13.288 -5.745 8.567 1.00 38.22 C ATOM 1487 CG TYR B 31 13.611 -4.357 8.025 1.00 35.46 C ATOM 1488 CD1 TYR B 31 13.014 -3.886 6.866 1.00 32.58 C ATOM 1489 CD2 TYR B 31 14.469 -3.488 8.731 1.00 34.68 C ATOM 1490 CE1 TYR B 31 13.276 -2.609 6.383 1.00 32.11 C ATOM 1491 CE2 TYR B 31 14.750 -2.205 8.255 1.00 33.80 C ATOM 1492 CZ TYR B 31 14.143 -1.763 7.082 1.00 34.39 C ATOM 1493 OH TYR B 31 14.397 -0.474 6.603 1.00 31.99 O ATOM 1494 N PHE B 32 15.733 -7.528 7.743 1.00 42.67 N ATOM 1495 CA PHE B 32 17.131 -7.626 7.315 1.00 44.41 C ATOM 1496 C PHE B 32 17.367 -8.852 6.398 1.00 45.76 C ATOM 1497 O PHE B 32 18.225 -8.824 5.515 1.00 46.74 O ATOM 1498 CB PHE B 32 18.071 -7.665 8.530 1.00 44.11 C ATOM 1499 CG PHE B 32 17.977 -6.433 9.425 1.00 42.37 C ATOM 1500 CD1 PHE B 32 18.158 -5.156 8.900 1.00 42.55 C ATOM 1501 CD2 PHE B 32 17.741 -6.565 10.785 1.00 43.14 C ATOM 1502 CE1 PHE B 32 18.107 -4.004 9.733 1.00 42.46 C ATOM 1503 CE2 PHE B 32 17.683 -5.432 11.622 1.00 44.44 C ATOM 1504 CZ PHE B 32 17.876 -4.143 11.076 1.00 43.93 C ATOM 1505 N LYS B 33 16.587 -9.903 6.600 1.00 46.51 N ATOM 1506 CA LYS B 33 16.618 -11.041 5.712 1.00 47.36 C ATOM 1507 C LYS B 33 16.225 -10.605 4.304 1.00 47.88 C ATOM 1508 O LYS B 33 16.915 -10.907 3.346 1.00 48.69 O ATOM 1509 CB LYS B 33 15.674 -12.148 6.226 1.00 48.15 C ATOM 1510 CG LYS B 33 15.713 -13.460 5.429 1.00 48.89 C ATOM 1511 CD LYS B 33 17.017 -14.235 5.656 1.00 52.27 C ATOM 1512 CE LYS B 33 16.881 -15.714 5.177 1.00 53.21 C ATOM 1513 NZ LYS B 33 18.030 -16.143 4.274 1.00 54.89 N ATOM 1514 N LYS B 34 15.144 -9.835 4.198 1.00 47.99 N ATOM 1515 CA LYS B 34 14.626 -9.406 2.890 1.00 47.76 C ATOM 1516 C LYS B 34 15.385 -8.198 2.326 1.00 47.18 C ATOM 1517 O LYS B 34 15.596 -8.098 1.121 1.00 46.62 O ATOM 1518 CB LYS B 34 13.138 -9.091 2.984 1.00 48.21 C ATOM 1519 CG LYS B 34 12.403 -9.110 1.641 1.00 49.02 C ATOM 1520 CD LYS B 34 10.906 -9.144 1.862 1.00 50.52 C ATOM 1521 CE LYS B 34 10.146 -8.970 0.583 1.00 49.97 C ATOM 1522 NZ LYS B 34 8.715 -9.306 0.806 1.00 52.67 N ATOM 1523 N TYR B 35 15.786 -7.286 3.211 1.00 47.09 N ATOM 1524 CA TYR B 35 16.388 -6.016 2.801 1.00 47.04 C ATOM 1525 C TYR B 35 17.707 -5.733 3.573 1.00 47.99 C ATOM 1526 O TYR B 35 17.780 -4.773 4.356 1.00 47.89 O ATOM 1527 CB TYR B 35 15.399 -4.863 3.032 1.00 46.29 C ATOM 1528 CG TYR B 35 14.073 -4.986 2.275 1.00 45.66 C ATOM 1529 CD1 TYR B 35 14.004 -4.752 0.901 1.00 45.61 C ATOM 1530 CD2 TYR B 35 12.889 -5.282 2.949 1.00 44.19 C ATOM 1531 CE1 TYR B 35 12.787 -4.833 0.212 1.00 45.39 C ATOM 1532 CE2 TYR B 35 11.666 -5.377 2.266 1.00 43.38 C ATOM 1533 CZ TYR B 35 11.623 -5.140 0.907 1.00 44.39 C ATOM 1534 OH TYR B 35 10.425 -5.212 0.238 1.00 43.27 O ATOM 1535 N PRO B 36 18.767 -6.547 3.314 1.00 48.86 N ATOM 1536 CA PRO B 36 19.966 -6.619 4.205 1.00 49.24 C ATOM 1537 C PRO B 36 20.832 -5.348 4.180 1.00 50.04 C ATOM 1538 O PRO B 36 21.666 -5.157 5.061 1.00 50.52 O ATOM 1539 CB PRO B 36 20.749 -7.799 3.636 1.00 48.87 C ATOM 1540 CG PRO B 36 20.377 -7.832 2.192 1.00 49.17 C ATOM 1541 CD PRO B 36 18.917 -7.406 2.127 1.00 48.80 C ATOM 1542 N HIS B 37 20.628 -4.492 3.176 1.00 50.64 N ATOM 1543 CA HIS B 37 21.374 -3.238 3.078 1.00 50.80 C ATOM 1544 C HIS B 37 21.045 -2.297 4.225 1.00 51.35 C ATOM 1545 O HIS B 37 21.866 -1.450 4.603 1.00 52.04 O ATOM 1546 CB HIS B 37 21.121 -2.547 1.728 1.00 50.52 C ATOM 1547 CG HIS B 37 19.673 -2.284 1.439 1.00 50.55 C ATOM 1548 ND1 HIS B 37 18.852 -3.212 0.819 1.00 49.92 N ATOM 1549 CD2 HIS B 37 18.904 -1.189 1.659 1.00 50.16 C ATOM 1550 CE1 HIS B 37 17.643 -2.701 0.674 1.00 48.74 C ATOM 1551 NE2 HIS B 37 17.645 -1.476 1.178 1.00 53.32 N ATOM 1552 N ASN B 38 19.843 -2.440 4.780 1.00 51.59 N ATOM 1553 CA ASN B 38 19.412 -1.605 5.897 1.00 51.72 C ATOM 1554 C ASN B 38 20.195 -1.918 7.169 1.00 52.67 C ATOM 1555 O ASN B 38 20.273 -1.092 8.089 1.00 52.08 O ATOM 1556 CB ASN B 38 17.914 -1.758 6.129 1.00 51.19 C ATOM 1557 CG ASN B 38 17.089 -1.030 5.086 1.00 50.35 C ATOM 1558 OD1 ASN B 38 16.241 -1.623 4.424 1.00 49.67 O ATOM 1559 ND2 ASN B 38 17.348 0.258 4.924 1.00 50.64 N ATOM 1560 N LEU B 39 20.827 -3.096 7.179 1.00 53.84 N ATOM 1561 CA LEU B 39 21.778 -3.478 8.215 1.00 55.16 C ATOM 1562 C LEU B 39 22.890 -2.425 8.389 1.00 55.98 C ATOM 1563 O LEU B 39 23.578 -2.390 9.411 1.00 56.29 O ATOM 1564 CB LEU B 39 22.391 -4.838 7.877 1.00 55.09 C ATOM 1565 CG LEU B 39 22.500 -5.889 8.986 1.00 56.15 C ATOM 1566 CD1 LEU B 39 21.489 -5.636 10.106 1.00 56.51 C ATOM 1567 CD2 LEU B 39 22.338 -7.293 8.412 1.00 55.53 C ATOM 1568 N ASN B 40 23.039 -1.563 7.403 1.00 57.03 N ATOM 1569 CA ASN B 40 24.102 -0.592 7.414 1.00 57.94 C ATOM 1570 C ASN B 40 23.794 0.645 8.268 1.00 58.72 C ATOM 1571 O ASN B 40 24.679 1.463 8.519 1.00 59.47 O ATOM 1572 CB ASN B 40 24.476 -0.193 5.989 1.00 57.70 C ATOM 1573 CG ASN B 40 25.249 -1.288 5.263 1.00 57.88 C ATOM 1574 OD1 ASN B 40 26.188 -1.863 5.809 1.00 58.88 O ATOM 1575 ND2 ASN B 40 24.840 -1.592 4.035 1.00 57.03 N ATOM 1576 N HIS B 41 22.544 0.773 8.722 1.00 59.03 N ATOM 1577 CA HIS B 41 22.190 1.806 9.712 1.00 59.40 C ATOM 1578 C HIS B 41 22.166 1.218 11.122 1.00 59.51 C ATOM 1579 O HIS B 41 21.768 1.883 12.072 1.00 59.25 O ATOM 1580 CB HIS B 41 20.833 2.434 9.392 1.00 59.37 C ATOM 1581 CG HIS B 41 20.715 2.954 7.991 1.00 61.22 C ATOM 1582 ND1 HIS B 41 20.996 4.263 7.655 1.00 61.70 N ATOM 1583 CD2 HIS B 41 20.289 2.357 6.851 1.00 61.68 C ATOM 1584 CE1 HIS B 41 20.775 4.441 6.365 1.00 61.02 C ATOM 1585 NE2 HIS B 41 20.340 3.301 5.855 1.00 61.86 N ATOM 1586 N PHE B 42 22.533 -0.052 11.233 1.00 60.05 N ATOM 1587 CA PHE B 42 22.682 -0.704 12.527 1.00 61.13 C ATOM 1588 C PHE B 42 23.975 -1.512 12.544 1.00 62.22 C ATOM 1589 O PHE B 42 23.942 -2.729 12.386 1.00 62.77 O ATOM 1590 CB PHE B 42 21.487 -1.649 12.809 1.00 60.66 C ATOM 1591 CG PHE B 42 20.131 -0.994 12.660 1.00 59.54 C ATOM 1592 CD1 PHE B 42 19.492 -0.950 11.412 1.00 58.90 C ATOM 1593 CD2 PHE B 42 19.459 -0.496 13.771 1.00 57.83 C ATOM 1594 CE1 PHE B 42 18.226 -0.369 11.276 1.00 58.44 C ATOM 1595 CE2 PHE B 42 18.184 0.086 13.641 1.00 58.14 C ATOM 1596 CZ PHE B 42 17.573 0.147 12.396 1.00 58.42 C ATOM 1597 N PRO B 43 25.128 -0.827 12.701 1.00 63.26 N ATOM 1598 CA PRO B 43 26.437 -1.491 12.680 1.00 64.02 C ATOM 1599 C PRO B 43 26.625 -2.447 13.859 1.00 65.18 C ATOM 1600 O PRO B 43 27.289 -3.486 13.716 1.00 65.74 O ATOM 1601 CB PRO B 43 27.426 -0.322 12.785 1.00 64.09 C ATOM 1602 CG PRO B 43 26.631 0.890 12.401 1.00 63.76 C ATOM 1603 CD PRO B 43 25.258 0.625 12.877 1.00 63.17 C ATOM 1604 N TRP B 44 26.031 -2.117 15.009 1.00 66.03 N ATOM 1605 CA TRP B 44 26.087 -3.013 16.179 1.00 66.84 C ATOM 1606 C TRP B 44 25.447 -4.397 15.908 1.00 67.21 C ATOM 1607 O TRP B 44 25.811 -5.392 16.533 1.00 67.20 O ATOM 1608 CB TRP B 44 25.476 -2.351 17.430 1.00 66.94 C ATOM 1609 CG TRP B 44 24.253 -1.529 17.163 1.00 67.65 C ATOM 1610 CD1 TRP B 44 22.951 -1.925 17.301 1.00 67.99 C ATOM 1611 CD2 TRP B 44 24.213 -0.154 16.759 1.00 67.60 C ATOM 1612 NE1 TRP B 44 22.104 -0.888 16.989 1.00 67.15 N ATOM 1613 CE2 TRP B 44 22.850 0.211 16.653 1.00 67.34 C ATOM 1614 CE3 TRP B 44 25.194 0.800 16.460 1.00 68.43 C ATOM 1615 CZ2 TRP B 44 22.443 1.490 16.250 1.00 67.71 C ATOM 1616 CZ3 TRP B 44 24.787 2.080 16.068 1.00 68.42 C ATOM 1617 CH2 TRP B 44 23.424 2.407 15.963 1.00 67.88 C ATOM 1618 N PHE B 45 24.548 -4.455 14.938 1.00 67.73 N ATOM 1619 CA PHE B 45 23.930 -5.716 14.561 1.00 68.41 C ATOM 1620 C PHE B 45 24.757 -6.467 13.522 1.00 69.16 C ATOM 1621 O PHE B 45 24.651 -7.696 13.397 1.00 69.12 O ATOM 1622 CB PHE B 45 22.503 -5.493 14.059 1.00 68.22 C ATOM 1623 CG PHE B 45 21.540 -5.055 15.135 1.00 67.39 C ATOM 1624 CD1 PHE B 45 21.713 -5.469 16.456 1.00 67.58 C ATOM 1625 CD2 PHE B 45 20.454 -4.249 14.827 1.00 67.14 C ATOM 1626 CE1 PHE B 45 20.817 -5.072 17.454 1.00 67.46 C ATOM 1627 CE2 PHE B 45 19.551 -3.851 15.825 1.00 67.79 C ATOM 1628 CZ PHE B 45 19.734 -4.270 17.133 1.00 67.48 C ATOM 1629 N LYS B 46 25.603 -5.735 12.806 1.00 69.98 N ATOM 1630 CA LYS B 46 26.453 -6.331 11.783 1.00 71.08 C ATOM 1631 C LYS B 46 27.426 -7.356 12.363 1.00 71.61 C ATOM 1632 O LYS B 46 27.707 -8.383 11.737 1.00 72.00 O ATOM 1633 CB LYS B 46 27.217 -5.250 11.022 1.00 71.30 C ATOM 1634 CG LYS B 46 26.536 -4.804 9.739 1.00 71.86 C ATOM 1635 CD LYS B 46 27.400 -3.840 8.976 1.00 73.60 C ATOM 1636 CE LYS B 46 27.538 -4.259 7.533 1.00 75.43 C ATOM 1637 NZ LYS B 46 28.374 -3.293 6.749 1.00 76.81 N ATOM 1638 N GLU B 47 27.927 -7.084 13.560 1.00 72.07 N ATOM 1639 CA GLU B 47 28.906 -7.959 14.189 1.00 72.96 C ATOM 1640 C GLU B 47 28.308 -9.315 14.588 1.00 73.06 C ATOM 1641 O GLU B 47 28.708 -10.356 14.064 1.00 73.19 O ATOM 1642 CB GLU B 47 29.532 -7.278 15.392 1.00 73.50 C ATOM 1643 CG GLU B 47 30.592 -6.270 15.035 1.00 74.67 C ATOM 1644 CD GLU B 47 31.295 -5.728 16.248 1.00 76.73 C ATOM 1645 OE1 GLU B 47 30.730 -4.820 16.909 1.00 76.71 O ATOM 1646 OE2 GLU B 47 32.413 -6.214 16.555 1.00 77.06 O ATOM 1647 N ILE B 48 27.365 -9.294 15.528 1.00 73.20 N ATOM 1648 CA ILE B 48 26.576 -10.485 15.862 1.00 73.41 C ATOM 1649 C ILE B 48 26.199 -11.261 14.595 1.00 73.72 C ATOM 1650 O ILE B 48 25.602 -10.697 13.676 1.00 73.97 O ATOM 1651 CB ILE B 48 25.265 -10.104 16.600 1.00 73.26 C ATOM 1652 CG1 ILE B 48 25.542 -9.083 17.714 1.00 72.89 C ATOM 1653 CG2 ILE B 48 24.552 -11.368 17.137 1.00 73.24 C ATOM 1654 CD1 ILE B 48 25.746 -9.701 19.093 1.00 72.79 C ATOM 1655 N PRO B 49 26.530 -12.569 14.552 1.00 74.00 N ATOM 1656 CA PRO B 49 26.041 -13.411 13.451 1.00 74.17 C ATOM 1657 C PRO B 49 24.509 -13.492 13.466 1.00 74.31 C ATOM 1658 O PRO B 49 23.902 -13.557 14.539 1.00 74.24 O ATOM 1659 CB PRO B 49 26.663 -14.790 13.752 1.00 73.86 C ATOM 1660 CG PRO B 49 27.009 -14.753 15.202 1.00 74.05 C ATOM 1661 CD PRO B 49 27.341 -13.329 15.521 1.00 74.12 C ATOM 1662 N PHE B 50 23.898 -13.456 12.283 1.00 74.54 N ATOM 1663 CA PHE B 50 22.435 -13.269 12.163 1.00 74.87 C ATOM 1664 C PHE B 50 21.629 -14.354 12.891 1.00 74.96 C ATOM 1665 O PHE B 50 20.488 -14.127 13.283 1.00 75.18 O ATOM 1666 CB PHE B 50 22.012 -13.201 10.685 1.00 74.65 C ATOM 1667 N ASP B 51 22.237 -15.523 13.076 1.00 74.97 N ATOM 1668 CA ASP B 51 21.505 -16.701 13.535 1.00 74.77 C ATOM 1669 C ASP B 51 21.143 -16.631 15.010 1.00 74.20 C ATOM 1670 O ASP B 51 20.066 -17.073 15.408 1.00 74.14 O ATOM 1671 CB ASP B 51 22.291 -17.981 13.233 1.00 75.38 C ATOM 1672 CG ASP B 51 22.019 -18.518 11.824 1.00 76.22 C ATOM 1673 OD1 ASP B 51 20.915 -19.077 11.600 1.00 75.97 O ATOM 1674 OD2 ASP B 51 22.907 -18.375 10.946 1.00 76.56 O ATOM 1675 N ASP B 52 22.048 -16.089 15.824 1.00 73.40 N ATOM 1676 CA ASP B 52 21.729 -15.802 17.220 1.00 72.86 C ATOM 1677 C ASP B 52 21.508 -14.307 17.457 1.00 72.28 C ATOM 1678 O ASP B 52 21.738 -13.797 18.550 1.00 72.50 O ATOM 1679 CB ASP B 52 22.799 -16.376 18.179 1.00 72.75 C ATOM 1680 CG ASP B 52 24.198 -16.334 17.595 1.00 73.12 C ATOM 1681 OD1 ASP B 52 24.639 -15.244 17.166 1.00 73.72 O ATOM 1682 OD2 ASP B 52 24.867 -17.387 17.591 1.00 72.95 O ATOM 1683 N LEU B 53 21.010 -13.627 16.432 1.00 71.63 N ATOM 1684 CA LEU B 53 20.601 -12.223 16.551 1.00 71.05 C ATOM 1685 C LEU B 53 19.226 -12.085 17.230 1.00 70.38 C ATOM 1686 O LEU B 53 19.007 -11.152 17.994 1.00 70.28 O ATOM 1687 CB LEU B 53 20.580 -11.559 15.170 1.00 70.76 C ATOM 1688 CG LEU B 53 20.532 -10.042 15.100 1.00 70.54 C ATOM 1689 CD1 LEU B 53 21.695 -9.427 15.832 1.00 69.88 C ATOM 1690 CD2 LEU B 53 20.525 -9.598 13.643 1.00 71.37 C ATOM 1691 N PRO B 54 18.299 -13.034 16.947 1.00 69.94 N ATOM 1692 CA PRO B 54 16.934 -13.002 17.498 1.00 69.63 C ATOM 1693 C PRO B 54 16.879 -13.258 19.001 1.00 69.11 C ATOM 1694 O PRO B 54 15.793 -13.279 19.580 1.00 69.55 O ATOM 1695 CB PRO B 54 16.234 -14.145 16.754 1.00 69.68 C ATOM 1696 CG PRO B 54 17.336 -15.065 16.358 1.00 70.17 C ATOM 1697 CD PRO B 54 18.495 -14.185 16.042 1.00 69.89 C ATOM 1698 N GLU B 55 18.037 -13.471 19.619 1.00 68.63 N ATOM 1699 CA GLU B 55 18.112 -13.720 21.067 1.00 67.28 C ATOM 1700 C GLU B 55 18.950 -12.650 21.764 1.00 66.41 C ATOM 1701 O GLU B 55 19.233 -12.754 22.960 1.00 66.56 O ATOM 1702 N ASN B 56 19.347 -11.623 21.002 1.00 65.26 N ATOM 1703 CA ASN B 56 20.145 -10.501 21.527 1.00 63.80 C ATOM 1704 C ASN B 56 19.277 -9.481 22.294 1.00 62.82 C ATOM 1705 O ASN B 56 18.258 -9.022 21.787 1.00 62.91 O ATOM 1706 CB ASN B 56 20.881 -9.807 20.378 1.00 64.35 C ATOM 1707 CG ASN B 56 21.746 -8.649 20.846 1.00 64.93 C ATOM 1708 OD1 ASN B 56 21.262 -7.534 21.044 1.00 66.60 O ATOM 1709 ND2 ASN B 56 23.031 -8.896 20.979 1.00 66.16 N ATOM 1710 N ALA B 57 19.704 -9.125 23.510 1.00 61.10 N ATOM 1711 CA ALA B 57 18.878 -8.293 24.416 1.00 59.51 C ATOM 1712 C ALA B 57 18.336 -7.045 23.716 1.00 58.45 C ATOM 1713 O ALA B 57 17.195 -6.619 23.962 1.00 58.55 O ATOM 1714 CB ALA B 57 19.693 -7.892 25.686 1.00 59.12 C ATOM 1715 N ARG B 58 19.160 -6.463 22.849 1.00 56.50 N ATOM 1716 CA ARG B 58 18.961 -5.115 22.382 1.00 54.52 C ATOM 1717 C ARG B 58 18.241 -5.154 21.032 1.00 54.04 C ATOM 1718 O ARG B 58 17.621 -4.175 20.613 1.00 54.34 O ATOM 1719 CB ARG B 58 20.310 -4.428 22.251 1.00 54.53 C ATOM 1720 CG ARG B 58 20.251 -2.970 21.914 1.00 53.88 C ATOM 1721 CD ARG B 58 21.586 -2.507 21.355 1.00 51.97 C ATOM 1722 NE ARG B 58 21.570 -1.104 21.001 1.00 51.39 N ATOM 1723 CZ ARG B 58 22.590 -0.463 20.455 1.00 52.34 C ATOM 1724 NH1 ARG B 58 23.715 -1.110 20.194 1.00 53.26 N ATOM 1725 NH2 ARG B 58 22.486 0.830 20.167 1.00 52.12 N ATOM 1726 N PHE B 59 18.351 -6.299 20.359 1.00 52.31 N ATOM 1727 CA PHE B 59 17.516 -6.650 19.215 1.00 50.46 C ATOM 1728 C PHE B 59 16.042 -6.796 19.649 1.00 50.11 C ATOM 1729 O PHE B 59 15.134 -6.201 19.027 1.00 49.93 O ATOM 1730 CB PHE B 59 18.028 -7.974 18.624 1.00 50.67 C ATOM 1731 CG PHE B 59 17.486 -8.295 17.285 1.00 50.34 C ATOM 1732 CD1 PHE B 59 17.990 -7.666 16.142 1.00 51.58 C ATOM 1733 CD2 PHE B 59 16.544 -9.305 17.131 1.00 49.92 C ATOM 1734 CE1 PHE B 59 17.508 -7.998 14.873 1.00 50.51 C ATOM 1735 CE2 PHE B 59 16.060 -9.651 15.855 1.00 51.10 C ATOM 1736 CZ PHE B 59 16.544 -9.001 14.734 1.00 50.35 C ATOM 1737 N LYS B 60 15.811 -7.604 20.706 1.00 49.16 N ATOM 1738 CA LYS B 60 14.487 -7.695 21.378 1.00 49.03 C ATOM 1739 C LYS B 60 13.922 -6.312 21.702 1.00 48.51 C ATOM 1740 O LYS B 60 12.805 -5.962 21.294 1.00 48.39 O ATOM 1741 CB LYS B 60 14.603 -8.489 22.686 1.00 49.47 C ATOM 1742 CG LYS B 60 14.692 -10.008 22.528 1.00 50.81 C ATOM 1743 CD LYS B 60 14.794 -10.666 23.887 1.00 51.49 C ATOM 1744 CE LYS B 60 14.279 -12.087 23.863 1.00 53.06 C ATOM 1745 NZ LYS B 60 14.363 -12.711 25.221 1.00 54.64 N ATOM 1746 N THR B 61 14.681 -5.542 22.460 1.00 47.88 N ATOM 1747 CA THR B 61 14.188 -4.286 22.987 1.00 47.89 C ATOM 1748 C THR B 61 13.869 -3.244 21.869 1.00 47.04 C ATOM 1749 O THR B 61 12.871 -2.516 21.950 1.00 45.82 O ATOM 1750 CB THR B 61 15.156 -3.698 24.052 1.00 47.87 C ATOM 1751 OG1 THR B 61 15.038 -4.453 25.265 1.00 47.17 O ATOM 1752 CG2 THR B 61 14.827 -2.248 24.336 1.00 48.47 C ATOM 1753 N HIS B 62 14.689 -3.227 20.818 1.00 46.47 N ATOM 1754 CA HIS B 62 14.485 -2.285 19.727 1.00 45.64 C ATOM 1755 C HIS B 62 13.231 -2.580 18.878 1.00 44.97 C ATOM 1756 O HIS B 62 12.506 -1.662 18.497 1.00 45.12 O ATOM 1757 CB HIS B 62 15.698 -2.193 18.839 1.00 45.02 C ATOM 1758 CG HIS B 62 15.607 -1.097 17.839 1.00 45.52 C ATOM 1759 ND1 HIS B 62 15.569 0.231 18.204 1.00 44.65 N ATOM 1760 CD2 HIS B 62 15.406 -1.126 16.501 1.00 45.85 C ATOM 1761 CE1 HIS B 62 15.412 0.975 17.125 1.00 46.56 C ATOM 1762 NE2 HIS B 62 15.314 0.176 16.078 1.00 45.84 N ATOM 1763 N GLY B 63 13.012 -3.851 18.559 1.00 44.02 N ATOM 1764 CA GLY B 63 11.775 -4.268 17.945 1.00 43.66 C ATOM 1765 C GLY B 63 10.570 -3.789 18.737 1.00 43.57 C ATOM 1766 O GLY B 63 9.625 -3.228 18.180 1.00 43.38 O ATOM 1767 N THR B 64 10.625 -3.966 20.043 1.00 43.61 N ATOM 1768 CA THR B 64 9.532 -3.538 20.907 1.00 43.86 C ATOM 1769 C THR B 64 9.303 -2.010 20.840 1.00 43.60 C ATOM 1770 O THR B 64 8.161 -1.552 20.719 1.00 44.51 O ATOM 1771 CB THR B 64 9.744 -4.009 22.365 1.00 43.80 C ATOM 1772 OG1 THR B 64 10.093 -5.406 22.364 1.00 45.06 O ATOM 1773 CG2 THR B 64 8.485 -3.821 23.177 1.00 42.81 C ATOM 1774 N ARG B 65 10.395 -1.242 20.829 1.00 43.15 N ATOM 1775 CA ARG B 65 10.319 0.235 20.776 1.00 42.46 C ATOM 1776 C ARG B 65 9.623 0.755 19.513 1.00 41.73 C ATOM 1777 O ARG B 65 8.827 1.688 19.583 1.00 41.69 O ATOM 1778 CB ARG B 65 11.720 0.861 20.900 1.00 43.28 C ATOM 1779 CG ARG B 65 12.320 0.819 22.317 1.00 44.03 C ATOM 1780 CD ARG B 65 11.849 2.006 23.152 1.00 47.29 C ATOM 1781 N ILE B 66 9.940 0.148 18.358 1.00 41.06 N ATOM 1782 CA ILE B 66 9.304 0.527 17.055 1.00 40.36 C ATOM 1783 C ILE B 66 7.767 0.370 17.095 1.00 40.46 C ATOM 1784 O ILE B 66 7.016 1.340 16.882 1.00 40.77 O ATOM 1785 CB ILE B 66 9.859 -0.336 15.877 1.00 40.64 C ATOM 1786 CG1 ILE B 66 11.353 -0.099 15.688 1.00 38.06 C ATOM 1787 CG2 ILE B 66 9.060 -0.063 14.560 1.00 39.95 C ATOM 1788 CD1 ILE B 66 11.979 -1.011 14.707 1.00 35.27 C ATOM 1789 N LEU B 67 7.313 -0.851 17.359 1.00 40.09 N ATOM 1790 CA LEU B 67 5.898 -1.151 17.391 1.00 39.72 C ATOM 1791 C LEU B 67 5.168 -0.334 18.482 1.00 39.51 C ATOM 1792 O LEU B 67 4.014 0.059 18.311 1.00 38.50 O ATOM 1793 CB LEU B 67 5.690 -2.639 17.621 1.00 39.57 C ATOM 1794 CG LEU B 67 5.694 -3.589 16.409 1.00 40.77 C ATOM 1795 CD1 LEU B 67 5.796 -2.856 15.040 1.00 40.27 C ATOM 1796 CD2 LEU B 67 6.763 -4.605 16.557 1.00 41.66 C ATOM 1797 N ARG B 68 5.857 -0.074 19.589 1.00 39.49 N ATOM 1798 CA ARG B 68 5.277 0.723 20.671 1.00 40.09 C ATOM 1799 C ARG B 68 4.959 2.180 20.244 1.00 39.46 C ATOM 1800 O ARG B 68 3.998 2.781 20.729 1.00 38.47 O ATOM 1801 CB ARG B 68 6.184 0.711 21.897 1.00 40.82 C ATOM 1802 CG ARG B 68 5.495 1.152 23.159 1.00 42.81 C ATOM 1803 CD ARG B 68 4.730 -0.029 23.853 1.00 44.74 C ATOM 1804 NE ARG B 68 4.347 0.343 25.215 1.00 41.70 N ATOM 1805 CZ ARG B 68 3.094 0.424 25.656 1.00 40.99 C ATOM 1806 NH1 ARG B 68 2.079 0.061 24.877 1.00 36.05 N ATOM 1807 NH2 ARG B 68 2.859 0.839 26.908 1.00 41.95 N ATOM 1808 N GLN B 69 5.754 2.725 19.316 1.00 39.65 N ATOM 1809 CA GLN B 69 5.437 4.042 18.730 1.00 39.42 C ATOM 1810 C GLN B 69 4.312 3.955 17.709 1.00 38.85 C ATOM 1811 O GLN B 69 3.430 4.804 17.682 1.00 38.91 O ATOM 1812 CB GLN B 69 6.667 4.691 18.114 1.00 39.67 C ATOM 1813 CG GLN B 69 6.432 6.121 17.684 1.00 40.68 C ATOM 1814 CD GLN B 69 7.700 6.852 17.389 1.00 41.62 C ATOM 1815 OE1 GLN B 69 8.787 6.320 17.565 1.00 46.37 O ATOM 1816 NE2 GLN B 69 7.575 8.086 16.928 1.00 41.15 N ATOM 1817 N VAL B 70 4.327 2.904 16.894 1.00 38.76 N ATOM 1818 CA VAL B 70 3.181 2.590 16.014 1.00 38.75 C ATOM 1819 C VAL B 70 1.891 2.476 16.830 1.00 39.50 C ATOM 1820 O VAL B 70 0.821 2.984 16.414 1.00 40.00 O ATOM 1821 CB VAL B 70 3.417 1.276 15.223 1.00 38.28 C ATOM 1822 CG1 VAL B 70 2.177 0.828 14.574 1.00 36.64 C ATOM 1823 CG2 VAL B 70 4.535 1.466 14.190 1.00 38.35 C ATOM 1824 N ASP B 71 1.995 1.836 18.006 1.00 40.12 N ATOM 1825 CA ASP B 71 0.845 1.656 18.927 1.00 40.79 C ATOM 1826 C ASP B 71 0.196 2.996 19.297 1.00 40.82 C ATOM 1827 O ASP B 71 -1.034 3.119 19.332 1.00 40.80 O ATOM 1828 CB ASP B 71 1.295 0.926 20.197 1.00 40.96 C ATOM 1829 CG ASP B 71 0.126 0.523 21.090 1.00 42.57 C ATOM 1830 OD1 ASP B 71 -0.854 -0.063 20.565 1.00 42.20 O ATOM 1831 OD2 ASP B 71 0.201 0.771 22.330 1.00 44.07 O ATOM 1832 N GLU B 72 1.031 3.987 19.584 1.00 41.06 N ATOM 1833 CA GLU B 72 0.563 5.338 19.860 1.00 41.53 C ATOM 1834 C GLU B 72 -0.066 5.963 18.638 1.00 41.22 C ATOM 1835 O GLU B 72 -1.006 6.742 18.749 1.00 40.60 O ATOM 1836 CB GLU B 72 1.716 6.210 20.353 1.00 42.00 C ATOM 1837 CG GLU B 72 2.247 5.813 21.717 1.00 45.00 C ATOM 1838 CD GLU B 72 3.224 6.811 22.256 1.00 49.82 C ATOM 1839 OE1 GLU B 72 2.778 7.880 22.726 1.00 52.18 O ATOM 1840 OE2 GLU B 72 4.453 6.539 22.204 1.00 51.90 O ATOM 1841 N GLY B 73 0.478 5.644 17.464 1.00 41.61 N ATOM 1842 CA GLY B 73 -0.112 6.094 16.203 1.00 41.37 C ATOM 1843 C GLY B 73 -1.512 5.567 16.028 1.00 41.44 C ATOM 1844 O GLY B 73 -2.432 6.320 15.715 1.00 41.22 O ATOM 1845 N VAL B 74 -1.678 4.260 16.252 1.00 42.21 N ATOM 1846 CA VAL B 74 -2.988 3.598 16.094 1.00 42.79 C ATOM 1847 C VAL B 74 -4.035 4.168 17.060 1.00 43.33 C ATOM 1848 O VAL B 74 -5.199 4.394 16.673 1.00 43.59 O ATOM 1849 CB VAL B 74 -2.883 2.044 16.299 1.00 42.92 C ATOM 1850 CG1 VAL B 74 -4.237 1.459 16.603 1.00 42.15 C ATOM 1851 CG2 VAL B 74 -2.257 1.369 15.056 1.00 42.02 C ATOM 1852 N LYS B 75 -3.621 4.403 18.319 1.00 43.54 N ATOM 1853 CA LYS B 75 -4.533 4.952 19.352 1.00 43.48 C ATOM 1854 C LYS B 75 -5.070 6.310 18.952 1.00 43.01 C ATOM 1855 O LYS B 75 -6.218 6.620 19.206 1.00 43.53 O ATOM 1856 CB LYS B 75 -3.824 5.050 20.714 1.00 43.96 C ATOM 1857 CG LYS B 75 -3.858 3.756 21.533 1.00 44.68 C ATOM 1858 CD LYS B 75 -2.826 3.783 22.653 1.00 46.61 C ATOM 1859 CE LYS B 75 -2.817 2.455 23.445 1.00 49.83 C ATOM 1860 NZ LYS B 75 -4.227 2.000 23.841 1.00 51.39 N ATOM 1861 N ALA B 76 -4.232 7.104 18.289 1.00 42.20 N ATOM 1862 CA ALA B 76 -4.593 8.464 17.895 1.00 41.83 C ATOM 1863 C ALA B 76 -5.334 8.554 16.524 1.00 42.72 C ATOM 1864 O ALA B 76 -5.850 9.628 16.158 1.00 42.91 O ATOM 1865 CB ALA B 76 -3.393 9.329 17.890 1.00 40.97 C ATOM 1866 N LEU B 77 -5.368 7.443 15.774 1.00 42.87 N ATOM 1867 CA LEU B 77 -6.064 7.419 14.479 1.00 42.85 C ATOM 1868 C LEU B 77 -7.521 7.830 14.649 1.00 42.77 C ATOM 1869 O LEU B 77 -8.195 7.341 15.526 1.00 43.23 O ATOM 1870 CB LEU B 77 -5.981 6.021 13.846 1.00 43.09 C ATOM 1871 CG LEU B 77 -6.060 5.920 12.313 1.00 44.03 C ATOM 1872 CD1 LEU B 77 -7.387 6.343 11.810 1.00 45.89 C ATOM 1873 CD2 LEU B 77 -4.964 6.723 11.638 1.00 46.31 C ATOM 1874 N SER B 78 -7.985 8.767 13.820 1.00 42.90 N ATOM 1875 CA SER B 78 -9.421 9.031 13.695 1.00 42.53 C ATOM 1876 C SER B 78 -9.787 9.340 12.253 1.00 42.21 C ATOM 1877 O SER B 78 -8.925 9.435 11.398 1.00 42.16 O ATOM 1878 CB SER B 78 -9.860 10.176 14.641 1.00 43.10 C ATOM 1879 OG SER B 78 -9.800 11.458 13.984 1.00 45.09 O ATOM 1880 N VAL B 79 -11.071 9.461 11.988 1.00 41.84 N ATOM 1881 CA VAL B 79 -11.549 9.635 10.641 1.00 42.15 C ATOM 1882 C VAL B 79 -10.778 10.733 9.862 1.00 42.95 C ATOM 1883 O VAL B 79 -10.578 11.854 10.363 1.00 43.62 O ATOM 1884 CB VAL B 79 -13.055 9.903 10.623 1.00 42.05 C ATOM 1885 CG1 VAL B 79 -13.463 10.651 9.339 1.00 42.02 C ATOM 1886 CG2 VAL B 79 -13.814 8.584 10.752 1.00 41.09 C ATOM 1887 N ASP B 80 -10.326 10.386 8.657 1.00 43.27 N ATOM 1888 CA ASP B 80 -9.539 11.306 7.806 1.00 43.42 C ATOM 1889 C ASP B 80 -8.367 11.953 8.534 1.00 43.34 C ATOM 1890 O ASP B 80 -7.918 13.045 8.166 1.00 43.08 O ATOM 1891 CB ASP B 80 -10.438 12.358 7.177 1.00 43.73 C ATOM 1892 CG ASP B 80 -11.466 11.748 6.223 1.00 46.24 C ATOM 1893 OD1 ASP B 80 -11.251 10.607 5.760 1.00 48.66 O ATOM 1894 OD2 ASP B 80 -12.484 12.403 5.940 1.00 49.78 O ATOM 1895 N PHE B 81 -7.855 11.260 9.557 1.00 43.39 N ATOM 1896 CA PHE B 81 -6.681 11.727 10.312 1.00 44.10 C ATOM 1897 C PHE B 81 -6.959 13.037 11.045 1.00 45.30 C ATOM 1898 O PHE B 81 -6.051 13.811 11.299 1.00 45.40 O ATOM 1899 CB PHE B 81 -5.485 11.897 9.386 1.00 43.60 C ATOM 1900 CG PHE B 81 -5.114 10.649 8.636 1.00 43.58 C ATOM 1901 CD1 PHE B 81 -5.526 10.464 7.315 1.00 42.01 C ATOM 1902 CD2 PHE B 81 -4.334 9.656 9.243 1.00 43.19 C ATOM 1903 CE1 PHE B 81 -5.181 9.325 6.619 1.00 39.62 C ATOM 1904 CE2 PHE B 81 -3.989 8.515 8.555 1.00 40.51 C ATOM 1905 CZ PHE B 81 -4.411 8.345 7.236 1.00 41.24 C ATOM 1906 N GLY B 82 -8.230 13.271 11.390 1.00 46.79 N ATOM 1907 CA GLY B 82 -8.670 14.575 11.931 1.00 48.18 C ATOM 1908 C GLY B 82 -7.909 15.005 13.178 1.00 49.09 C ATOM 1909 O GLY B 82 -7.382 16.089 13.234 1.00 50.06 O ATOM 1910 N ASP B 83 -7.848 14.127 14.167 1.00 50.14 N ATOM 1911 CA ASP B 83 -7.175 14.431 15.441 1.00 51.28 C ATOM 1912 C ASP B 83 -5.664 14.740 15.257 1.00 50.89 C ATOM 1913 O ASP B 83 -4.896 13.880 14.840 1.00 51.57 O ATOM 1914 CB ASP B 83 -7.374 13.270 16.445 1.00 51.72 C ATOM 1915 CG ASP B 83 -6.912 13.624 17.858 1.00 54.50 C ATOM 1916 OD1 ASP B 83 -7.062 12.775 18.760 1.00 59.07 O ATOM 1917 OD2 ASP B 83 -6.403 14.747 18.066 1.00 57.96 O ATOM 1918 N LYS B 84 -5.256 15.959 15.626 1.00 50.11 N ATOM 1919 CA LYS B 84 -3.864 16.401 15.445 1.00 49.54 C ATOM 1920 C LYS B 84 -2.892 15.700 16.404 1.00 49.07 C ATOM 1921 O LYS B 84 -1.676 15.916 16.342 1.00 48.99 O ATOM 1922 CB LYS B 84 -3.753 17.932 15.589 1.00 49.25 C ATOM 1923 N LYS B 85 -3.423 14.855 17.276 1.00 48.78 N ATOM 1924 CA LYS B 85 -2.577 14.025 18.131 1.00 49.25 C ATOM 1925 C LYS B 85 -1.885 12.893 17.314 1.00 49.56 C ATOM 1926 O LYS B 85 -0.844 12.354 17.731 1.00 50.57 O ATOM 1927 CB LYS B 85 -3.383 13.441 19.298 1.00 49.16 C ATOM 1928 N PHE B 86 -2.461 12.556 16.154 1.00 48.89 N ATOM 1929 CA PHE B 86 -1.780 11.702 15.174 1.00 48.92 C ATOM 1930 C PHE B 86 -0.470 12.371 14.658 1.00 49.46 C ATOM 1931 O PHE B 86 0.577 11.732 14.604 1.00 50.01 O ATOM 1932 CB PHE B 86 -2.726 11.369 13.995 1.00 48.44 C ATOM 1933 CG PHE B 86 -2.194 10.303 13.064 1.00 47.24 C ATOM 1934 CD1 PHE B 86 -2.303 8.951 13.390 1.00 47.35 C ATOM 1935 CD2 PHE B 86 -1.609 10.649 11.846 1.00 46.01 C ATOM 1936 CE1 PHE B 86 -1.812 7.967 12.528 1.00 45.75 C ATOM 1937 CE2 PHE B 86 -1.104 9.670 10.992 1.00 45.29 C ATOM 1938 CZ PHE B 86 -1.216 8.332 11.329 1.00 46.24 C ATOM 1939 N ASP B 87 -0.550 13.661 14.318 1.00 49.45 N ATOM 1940 CA ASP B 87 0.597 14.406 13.804 1.00 49.75 C ATOM 1941 C ASP B 87 1.790 14.387 14.758 1.00 49.73 C ATOM 1942 O ASP B 87 2.933 14.451 14.321 1.00 50.29 O ATOM 1943 CB ASP B 87 0.208 15.857 13.499 1.00 50.38 C ATOM 1944 CG ASP B 87 -0.884 15.965 12.438 1.00 52.19 C ATOM 1945 OD1 ASP B 87 -2.007 15.475 12.687 1.00 55.93 O ATOM 1946 OD2 ASP B 87 -0.624 16.565 11.368 1.00 52.36 O ATOM 1947 N ASP B 88 1.518 14.300 16.062 1.00 49.22 N ATOM 1948 CA ASP B 88 2.578 14.455 17.089 1.00 48.64 C ATOM 1949 C ASP B 88 3.419 13.194 17.318 1.00 47.65 C ATOM 1950 O ASP B 88 4.594 13.282 17.692 1.00 47.31 O ATOM 1951 CB ASP B 88 1.990 14.956 18.415 1.00 49.13 C ATOM 1952 CG ASP B 88 1.694 16.458 18.394 1.00 51.38 C ATOM 1953 OD1 ASP B 88 2.448 17.220 17.728 1.00 53.64 O ATOM 1954 OD2 ASP B 88 0.711 16.873 19.031 1.00 53.73 O ATOM 1955 N VAL B 89 2.830 12.026 17.092 1.00 46.30 N ATOM 1956 CA VAL B 89 3.608 10.785 17.131 1.00 45.31 C ATOM 1957 C VAL B 89 4.695 10.771 16.038 1.00 44.30 C ATOM 1958 O VAL B 89 5.832 10.381 16.285 1.00 43.62 O ATOM 1959 CB VAL B 89 2.713 9.520 17.001 1.00 45.34 C ATOM 1960 CG1 VAL B 89 3.584 8.260 16.916 1.00 45.18 C ATOM 1961 CG2 VAL B 89 1.750 9.425 18.180 1.00 44.83 C ATOM 1962 N TRP B 90 4.339 11.222 14.849 1.00 43.45 N ATOM 1963 CA TRP B 90 5.244 11.128 13.708 1.00 42.92 C ATOM 1964 C TRP B 90 6.201 12.356 13.564 1.00 43.93 C ATOM 1965 O TRP B 90 7.294 12.233 13.014 1.00 43.42 O ATOM 1966 CB TRP B 90 4.461 10.856 12.429 1.00 40.77 C ATOM 1967 CG TRP B 90 3.493 9.725 12.589 1.00 37.75 C ATOM 1968 CD1 TRP B 90 2.137 9.791 12.501 1.00 35.11 C ATOM 1969 CD2 TRP B 90 3.808 8.370 12.950 1.00 35.22 C ATOM 1970 NE1 TRP B 90 1.587 8.554 12.739 1.00 33.62 N ATOM 1971 CE2 TRP B 90 2.591 7.668 13.031 1.00 34.05 C ATOM 1972 CE3 TRP B 90 5.003 7.678 13.180 1.00 34.56 C ATOM 1973 CZ2 TRP B 90 2.531 6.300 13.332 1.00 36.15 C ATOM 1974 CZ3 TRP B 90 4.941 6.319 13.489 1.00 35.71 C ATOM 1975 CH2 TRP B 90 3.715 5.648 13.556 1.00 36.46 C ATOM 1976 N LYS B 91 5.808 13.500 14.141 1.00 45.62 N ATOM 1977 CA LYS B 91 6.769 14.597 14.426 1.00 47.40 C ATOM 1978 C LYS B 91 7.843 14.164 15.455 1.00 47.67 C ATOM 1979 O LYS B 91 9.020 14.520 15.331 1.00 48.26 O ATOM 1980 CB LYS B 91 6.046 15.842 14.910 1.00 47.19 C ATOM 1981 CG LYS B 91 5.307 16.607 13.812 1.00 48.10 C ATOM 1982 CD LYS B 91 4.587 17.836 14.386 1.00 49.18 C ATOM 1983 CE LYS B 91 3.861 18.628 13.299 1.00 51.90 C ATOM 1984 NZ LYS B 91 3.306 19.912 13.838 1.00 53.74 N ATOM 1985 N LYS B 92 7.431 13.371 16.438 1.00 47.93 N ATOM 1986 CA LYS B 92 8.362 12.786 17.408 1.00 48.42 C ATOM 1987 C LYS B 92 9.353 11.871 16.709 1.00 48.17 C ATOM 1988 O LYS B 92 10.533 11.836 17.060 1.00 47.92 O ATOM 1989 CB LYS B 92 7.586 12.010 18.476 1.00 49.07 C ATOM 1990 CG LYS B 92 8.360 11.688 19.702 1.00 51.96 C ATOM 1991 CD LYS B 92 7.495 10.908 20.707 1.00 56.85 C ATOM 1992 CE LYS B 92 7.930 11.211 22.167 1.00 61.96 C ATOM 1993 NZ LYS B 92 9.465 11.300 22.320 1.00 61.43 N ATOM 1994 N LEU B 93 8.865 11.123 15.714 1.00 48.71 N ATOM 1995 CA LEU B 93 9.742 10.331 14.820 1.00 49.11 C ATOM 1996 C LEU B 93 10.726 11.242 14.082 1.00 49.91 C ATOM 1997 O LEU B 93 11.910 10.929 13.967 1.00 49.58 O ATOM 1998 CB LEU B 93 8.901 9.503 13.800 1.00 48.71 C ATOM 1999 CG LEU B 93 9.673 8.530 12.863 1.00 48.61 C ATOM 2000 CD1 LEU B 93 10.495 7.547 13.658 1.00 47.26 C ATOM 2001 CD2 LEU B 93 8.735 7.791 11.897 1.00 48.30 C ATOM 2002 N ALA B 94 10.227 12.378 13.601 1.00 51.23 N ATOM 2003 CA ALA B 94 11.063 13.346 12.899 1.00 52.68 C ATOM 2004 C ALA B 94 12.303 13.731 13.713 1.00 53.39 C ATOM 2005 O ALA B 94 13.437 13.479 13.279 1.00 53.16 O ATOM 2006 CB ALA B 94 10.255 14.584 12.519 1.00 52.87 C ATOM 2007 N GLN B 95 12.092 14.304 14.908 1.00 53.99 N ATOM 2008 CA GLN B 95 13.219 14.842 15.685 1.00 55.70 C ATOM 2009 C GLN B 95 14.228 13.770 16.074 1.00 55.99 C ATOM 2010 O GLN B 95 15.420 14.037 16.148 1.00 56.18 O ATOM 2011 CB GLN B 95 12.747 15.645 16.918 1.00 56.21 C ATOM 2012 CG GLN B 95 11.870 14.895 17.882 1.00 58.07 C ATOM 2013 CD GLN B 95 10.721 15.769 18.427 1.00 62.88 C ATOM 2014 OE1 GLN B 95 10.331 15.655 19.607 1.00 66.24 O ATOM 2015 NE2 GLN B 95 10.176 16.645 17.568 1.00 61.68 N ATOM 2016 N THR B 96 13.751 12.538 16.233 1.00 56.60 N ATOM 2017 CA THR B 96 14.614 11.425 16.628 1.00 56.76 C ATOM 2018 C THR B 96 15.444 10.854 15.464 1.00 56.66 C ATOM 2019 O THR B 96 16.592 10.455 15.657 1.00 56.59 O ATOM 2020 CB THR B 96 13.806 10.288 17.330 1.00 56.99 C ATOM 2021 OG1 THR B 96 13.695 10.583 18.729 1.00 57.74 O ATOM 2022 CG2 THR B 96 14.499 8.952 17.165 1.00 56.08 C ATOM 2023 N HIS B 97 14.866 10.839 14.259 1.00 56.89 N ATOM 2024 CA HIS B 97 15.505 10.172 13.094 1.00 57.23 C ATOM 2025 C HIS B 97 16.180 11.165 12.101 1.00 58.30 C ATOM 2026 O HIS B 97 16.878 10.753 11.184 1.00 58.06 O ATOM 2027 CB HIS B 97 14.496 9.290 12.358 1.00 56.28 C ATOM 2028 CG HIS B 97 14.212 7.999 13.046 1.00 55.37 C ATOM 2029 ND1 HIS B 97 13.520 7.927 14.235 1.00 53.83 N ATOM 2030 CD2 HIS B 97 14.515 6.724 12.709 1.00 54.66 C ATOM 2031 CE1 HIS B 97 13.431 6.666 14.614 1.00 52.36 C ATOM 2032 NE2 HIS B 97 14.018 5.915 13.703 1.00 54.81 N ATOM 2033 N HIS B 98 15.960 12.457 12.313 1.00 59.93 N ATOM 2034 CA HIS B 98 16.516 13.502 11.442 1.00 61.99 C ATOM 2035 C HIS B 98 18.047 13.374 11.245 1.00 62.42 C ATOM 2036 O HIS B 98 18.534 13.344 10.121 1.00 62.17 O ATOM 2037 CB HIS B 98 16.159 14.888 11.994 1.00 62.48 C ATOM 2038 CG HIS B 98 17.069 15.977 11.527 1.00 66.03 C ATOM 2039 ND1 HIS B 98 17.041 16.472 10.236 1.00 69.10 N ATOM 2040 CD2 HIS B 98 18.023 16.682 12.179 1.00 67.58 C ATOM 2041 CE1 HIS B 98 17.945 17.429 10.114 1.00 69.37 C ATOM 2042 NE2 HIS B 98 18.555 17.576 11.279 1.00 69.88 N ATOM 2043 N GLU B 99 18.779 13.262 12.351 1.00 63.92 N ATOM 2044 CA GLU B 99 20.256 13.284 12.320 1.00 65.17 C ATOM 2045 C GLU B 99 20.847 11.987 11.759 1.00 64.53 C ATOM 2046 O GLU B 99 22.023 11.700 11.955 1.00 64.61 O ATOM 2047 CB GLU B 99 20.825 13.549 13.725 1.00 64.84 C ATOM 2048 CG GLU B 99 19.772 13.942 14.771 1.00 67.13 C ATOM 2049 CD GLU B 99 20.351 14.022 16.197 1.00 67.86 C ATOM 2050 OE1 GLU B 99 21.508 13.549 16.412 1.00 69.90 O ATOM 2051 OE2 GLU B 99 19.646 14.558 17.098 1.00 70.19 O ATOM 2052 N LYS B 100 20.017 11.197 11.090 1.00 64.53 N ATOM 2053 CA LYS B 100 20.484 9.975 10.411 1.00 64.55 C ATOM 2054 C LYS B 100 19.985 9.988 8.996 1.00 64.30 C ATOM 2055 O LYS B 100 18.798 10.085 8.764 1.00 64.91 O ATOM 2056 CB LYS B 100 19.966 8.717 11.133 1.00 64.49 C ATOM 2057 CG LYS B 100 20.271 8.674 12.618 1.00 64.33 C ATOM 2058 CD LYS B 100 19.242 7.852 13.363 1.00 65.76 C ATOM 2059 N LYS B 101 20.895 9.949 8.040 1.00 64.07 N ATOM 2060 CA LYS B 101 20.511 10.114 6.648 1.00 63.51 C ATOM 2061 C LYS B 101 19.709 8.910 6.153 1.00 62.65 C ATOM 2062 O LYS B 101 20.249 7.981 5.543 1.00 62.36 O ATOM 2063 CB LYS B 101 21.730 10.384 5.772 1.00 64.05 C ATOM 2064 CG LYS B 101 22.380 11.764 6.032 1.00 65.23 C ATOM 2065 CD LYS B 101 21.316 12.847 6.380 1.00 63.79 C ATOM 2066 N VAL B 102 18.414 8.942 6.439 1.00 61.51 N ATOM 2067 CA VAL B 102 17.571 7.770 6.374 1.00 60.25 C ATOM 2068 C VAL B 102 16.642 7.835 5.171 1.00 59.08 C ATOM 2069 O VAL B 102 15.648 8.546 5.183 1.00 59.13 O ATOM 2070 CB VAL B 102 16.726 7.633 7.649 1.00 61.12 C ATOM 2071 CG1 VAL B 102 17.545 6.979 8.764 1.00 60.59 C ATOM 2072 CG2 VAL B 102 16.144 9.061 8.101 1.00 59.85 C ATOM 2073 N GLU B 103 16.972 7.079 4.142 1.00 57.59 N ATOM 2074 CA GLU B 103 16.243 7.124 2.895 1.00 56.35 C ATOM 2075 C GLU B 103 14.766 6.725 3.056 1.00 54.46 C ATOM 2076 O GLU B 103 14.451 5.672 3.606 1.00 54.00 O ATOM 2077 CB GLU B 103 16.908 6.224 1.886 1.00 57.03 C ATOM 2078 CG GLU B 103 17.018 6.809 0.528 1.00 59.99 C ATOM 2079 CD GLU B 103 18.236 6.320 -0.187 1.00 63.55 C ATOM 2080 OE1 GLU B 103 19.339 6.827 0.116 1.00 65.51 O ATOM 2081 OE2 GLU B 103 18.107 5.400 -1.023 1.00 63.84 O ATOM 2082 N ARG B 104 13.879 7.565 2.540 1.00 52.47 N ATOM 2083 CA ARG B 104 12.458 7.245 2.462 1.00 50.73 C ATOM 2084 C ARG B 104 12.234 5.800 2.051 1.00 49.51 C ATOM 2085 O ARG B 104 11.373 5.118 2.595 1.00 48.83 O ATOM 2086 CB ARG B 104 11.757 8.189 1.480 1.00 50.56 C ATOM 2087 CG ARG B 104 10.310 7.838 1.188 1.00 50.14 C ATOM 2088 CD ARG B 104 9.352 8.469 2.208 1.00 50.04 C ATOM 2089 NE ARG B 104 8.030 7.837 2.173 1.00 47.72 N ATOM 2090 CZ ARG B 104 6.881 8.480 2.348 1.00 46.38 C ATOM 2091 NH1 ARG B 104 6.869 9.787 2.577 1.00 48.29 N ATOM 2092 NH2 ARG B 104 5.742 7.819 2.272 1.00 48.98 N ATOM 2093 N ARG B 105 13.037 5.332 1.104 1.00 48.62 N ATOM 2094 CA ARG B 105 12.875 3.997 0.545 1.00 47.81 C ATOM 2095 C ARG B 105 12.895 2.914 1.624 1.00 46.60 C ATOM 2096 O ARG B 105 12.040 2.015 1.646 1.00 46.17 O ATOM 2097 CB ARG B 105 13.949 3.727 -0.497 1.00 48.00 C ATOM 2098 CG ARG B 105 14.384 2.294 -0.576 1.00 51.11 C ATOM 2099 CD ARG B 105 14.548 1.876 -1.964 1.00 56.20 C ATOM 2100 NE ARG B 105 15.306 0.636 -2.079 1.00 60.95 N ATOM 2101 CZ ARG B 105 16.613 0.578 -2.313 1.00 63.62 C ATOM 2102 NH1 ARG B 105 17.327 1.700 -2.412 1.00 64.63 N ATOM 2103 NH2 ARG B 105 17.213 -0.599 -2.429 1.00 64.81 N ATOM 2104 N SER B 106 13.860 3.003 2.514 1.00 45.42 N ATOM 2105 CA SER B 106 14.044 1.999 3.511 1.00 44.56 C ATOM 2106 C SER B 106 12.939 2.060 4.600 1.00 43.85 C ATOM 2107 O SER B 106 12.636 1.053 5.243 1.00 44.24 O ATOM 2108 CB SER B 106 15.427 2.108 4.123 1.00 44.55 C ATOM 2109 OG SER B 106 15.427 3.013 5.183 1.00 46.06 O ATOM 2110 N TYR B 107 12.304 3.220 4.748 1.00 42.19 N ATOM 2111 CA TYR B 107 11.066 3.298 5.514 1.00 40.86 C ATOM 2112 C TYR B 107 9.924 2.530 4.821 1.00 39.79 C ATOM 2113 O TYR B 107 9.203 1.760 5.470 1.00 38.71 O ATOM 2114 CB TYR B 107 10.649 4.735 5.722 1.00 41.63 C ATOM 2115 CG TYR B 107 11.468 5.491 6.714 1.00 41.20 C ATOM 2116 CD1 TYR B 107 11.098 5.543 8.057 1.00 39.99 C ATOM 2117 CD2 TYR B 107 12.576 6.243 6.300 1.00 42.20 C ATOM 2118 CE1 TYR B 107 11.828 6.310 8.980 1.00 41.32 C ATOM 2119 CE2 TYR B 107 13.326 6.994 7.207 1.00 42.00 C ATOM 2120 CZ TYR B 107 12.940 7.042 8.539 1.00 42.93 C ATOM 2121 OH TYR B 107 13.670 7.790 9.426 1.00 43.75 O ATOM 2122 N ASN B 108 9.745 2.768 3.509 1.00 38.54 N ATOM 2123 CA ASN B 108 8.801 1.953 2.690 1.00 38.07 C ATOM 2124 C ASN B 108 9.016 0.458 2.850 1.00 37.60 C ATOM 2125 O ASN B 108 8.064 -0.297 2.961 1.00 37.20 O ATOM 2126 CB ASN B 108 8.884 2.326 1.200 1.00 38.67 C ATOM 2127 CG ASN B 108 8.335 3.677 0.917 1.00 38.37 C ATOM 2128 OD1 ASN B 108 7.513 4.185 1.660 1.00 40.95 O ATOM 2129 ND2 ASN B 108 8.803 4.290 -0.149 1.00 37.24 N ATOM 2130 N GLU B 109 10.279 0.035 2.880 1.00 37.82 N ATOM 2131 CA GLU B 109 10.588 -1.380 2.990 1.00 38.17 C ATOM 2132 C GLU B 109 10.184 -1.960 4.350 1.00 38.16 C ATOM 2133 O GLU B 109 9.673 -3.086 4.427 1.00 38.47 O ATOM 2134 CB GLU B 109 12.052 -1.642 2.679 1.00 38.72 C ATOM 2135 CG GLU B 109 12.373 -1.560 1.161 1.00 39.46 C ATOM 2136 CD GLU B 109 13.840 -1.349 0.873 1.00 40.31 C ATOM 2137 OE1 GLU B 109 14.543 -0.739 1.710 1.00 37.60 O ATOM 2138 OE2 GLU B 109 14.287 -1.776 -0.200 1.00 43.44 O ATOM 2139 N LEU B 110 10.309 -1.148 5.403 1.00 37.47 N ATOM 2140 CA LEU B 110 9.847 -1.552 6.730 1.00 36.79 C ATOM 2141 C LEU B 110 8.317 -1.650 6.780 1.00 36.40 C ATOM 2142 O LEU B 110 7.764 -2.571 7.386 1.00 36.75 O ATOM 2143 CB LEU B 110 10.379 -0.595 7.822 1.00 36.51 C ATOM 2144 CG LEU B 110 10.138 -1.033 9.272 1.00 36.78 C ATOM 2145 CD1 LEU B 110 10.855 -2.353 9.571 1.00 36.62 C ATOM 2146 CD2 LEU B 110 10.549 0.051 10.277 1.00 36.54 C ATOM 2147 N LYS B 111 7.643 -0.714 6.110 1.00 36.06 N ATOM 2148 CA LYS B 111 6.164 -0.775 5.932 1.00 35.22 C ATOM 2149 C LYS B 111 5.711 -2.133 5.344 1.00 35.40 C ATOM 2150 O LYS B 111 4.773 -2.748 5.837 1.00 34.07 O ATOM 2151 CB LYS B 111 5.683 0.386 5.043 1.00 34.97 C ATOM 2152 CG LYS B 111 4.204 0.300 4.609 1.00 34.27 C ATOM 2153 CD LYS B 111 3.755 1.597 3.966 1.00 34.01 C ATOM 2154 CE LYS B 111 4.347 1.758 2.554 1.00 30.89 C ATOM 2155 NZ LYS B 111 3.327 1.496 1.502 1.00 27.96 N ATOM 2156 N ASP B 112 6.415 -2.591 4.307 1.00 36.52 N ATOM 2157 CA ASP B 112 6.135 -3.881 3.685 1.00 37.29 C ATOM 2158 C ASP B 112 6.122 -4.998 4.744 1.00 37.37 C ATOM 2159 O ASP B 112 5.157 -5.729 4.863 1.00 37.36 O ATOM 2160 CB ASP B 112 7.181 -4.170 2.566 1.00 37.99 C ATOM 2161 CG ASP B 112 7.187 -5.670 2.097 1.00 39.67 C ATOM 2162 OD1 ASP B 112 6.096 -6.282 2.012 1.00 41.46 O ATOM 2163 OD2 ASP B 112 8.298 -6.199 1.771 1.00 39.27 O ATOM 2164 N ILE B 113 7.175 -5.064 5.550 1.00 37.62 N ATOM 2165 CA ILE B 113 7.315 -6.127 6.531 1.00 37.55 C ATOM 2166 C ILE B 113 6.292 -5.999 7.672 1.00 38.13 C ATOM 2167 O ILE B 113 5.621 -6.989 8.032 1.00 38.18 O ATOM 2168 CB ILE B 113 8.792 -6.213 7.103 1.00 37.99 C ATOM 2169 CG1 ILE B 113 9.706 -6.958 6.107 1.00 39.12 C ATOM 2170 CG2 ILE B 113 8.816 -6.932 8.467 1.00 36.43 C ATOM 2171 CD1 ILE B 113 10.430 -6.072 5.189 1.00 40.14 C ATOM 2172 N ILE B 114 6.147 -4.781 8.220 1.00 37.93 N ATOM 2173 CA ILE B 114 5.206 -4.551 9.315 1.00 37.67 C ATOM 2174 C ILE B 114 3.825 -5.083 8.960 1.00 38.05 C ATOM 2175 O ILE B 114 3.176 -5.741 9.778 1.00 38.81 O ATOM 2176 CB ILE B 114 5.094 -3.059 9.697 1.00 37.32 C ATOM 2177 CG1 ILE B 114 6.404 -2.566 10.313 1.00 36.40 C ATOM 2178 CG2 ILE B 114 3.929 -2.850 10.653 1.00 35.56 C ATOM 2179 CD1 ILE B 114 6.244 -1.398 11.244 1.00 34.17 C ATOM 2180 N ILE B 115 3.401 -4.842 7.724 1.00 37.95 N ATOM 2181 CA ILE B 115 2.075 -5.268 7.267 1.00 38.33 C ATOM 2182 C ILE B 115 2.005 -6.772 7.012 1.00 39.07 C ATOM 2183 O ILE B 115 0.962 -7.375 7.161 1.00 39.39 O ATOM 2184 CB ILE B 115 1.638 -4.501 6.011 1.00 38.40 C ATOM 2185 CG1 ILE B 115 1.259 -3.059 6.388 1.00 36.65 C ATOM 2186 CG2 ILE B 115 0.449 -5.229 5.304 1.00 37.29 C ATOM 2187 CD1 ILE B 115 1.611 -2.067 5.375 1.00 36.34 C ATOM 2188 N GLU B 116 3.143 -7.373 6.686 1.00 39.93 N ATOM 2189 CA GLU B 116 3.231 -8.820 6.543 1.00 40.74 C ATOM 2190 C GLU B 116 3.118 -9.555 7.886 1.00 41.14 C ATOM 2191 O GLU B 116 2.378 -10.526 8.002 1.00 40.49 O ATOM 2192 CB GLU B 116 4.518 -9.200 5.867 1.00 41.42 C ATOM 2193 CG GLU B 116 4.441 -9.267 4.355 1.00 43.43 C ATOM 2194 CD GLU B 116 5.787 -9.607 3.737 1.00 47.97 C ATOM 2195 OE1 GLU B 116 6.309 -10.731 4.009 1.00 46.87 O ATOM 2196 OE2 GLU B 116 6.347 -8.739 3.012 1.00 49.94 O ATOM 2197 N VAL B 117 3.877 -9.098 8.888 1.00 41.75 N ATOM 2198 CA VAL B 117 3.823 -9.705 10.227 1.00 42.31 C ATOM 2199 C VAL B 117 2.435 -9.558 10.845 1.00 42.88 C ATOM 2200 O VAL B 117 1.931 -10.491 11.491 1.00 42.94 O ATOM 2201 CB VAL B 117 4.892 -9.106 11.187 1.00 42.42 C ATOM 2202 CG1 VAL B 117 4.999 -7.640 10.995 1.00 44.40 C ATOM 2203 CG2 VAL B 117 4.548 -9.423 12.649 1.00 41.61 C ATOM 2204 N VAL B 118 1.807 -8.394 10.631 1.00 42.98 N ATOM 2205 CA VAL B 118 0.422 -8.177 11.067 1.00 43.48 C ATOM 2206 C VAL B 118 -0.462 -9.210 10.429 1.00 44.76 C ATOM 2207 O VAL B 118 -1.288 -9.817 11.081 1.00 45.06 O ATOM 2208 CB VAL B 118 -0.099 -6.748 10.676 1.00 42.76 C ATOM 2209 CG1 VAL B 118 -1.590 -6.712 10.692 1.00 42.04 C ATOM 2210 CG2 VAL B 118 0.452 -5.725 11.593 1.00 40.48 C ATOM 2211 N CYS B 119 -0.221 -9.456 9.155 1.00 47.26 N ATOM 2212 CA CYS B 119 -1.025 -10.374 8.378 1.00 48.19 C ATOM 2213 C CYS B 119 -0.885 -11.823 8.851 1.00 48.46 C ATOM 2214 O CYS B 119 -1.774 -12.638 8.642 1.00 49.03 O ATOM 2215 CB CYS B 119 -0.653 -10.273 6.911 1.00 48.31 C ATOM 2216 SG CYS B 119 -1.827 -10.978 5.851 1.00 51.67 S ATOM 2217 N SER B 120 0.238 -12.139 9.473 1.00 48.67 N ATOM 2218 CA SER B 120 0.484 -13.492 9.920 1.00 49.07 C ATOM 2219 C SER B 120 -0.075 -13.735 11.333 1.00 49.40 C ATOM 2220 O SER B 120 -0.168 -14.872 11.776 1.00 49.90 O ATOM 2221 CB SER B 120 1.983 -13.822 9.866 1.00 49.14 C ATOM 2222 OG SER B 120 2.697 -13.125 10.873 1.00 49.46 O ATOM 2223 N CYS B 121 -0.470 -12.661 12.016 1.00 48.88 N ATOM 2224 CA CYS B 121 -1.103 -12.784 13.334 1.00 48.64 C ATOM 2225 C CYS B 121 -2.622 -12.849 13.228 1.00 48.59 C ATOM 2226 O CYS B 121 -3.266 -13.662 13.886 1.00 48.25 O ATOM 2227 CB CYS B 121 -0.686 -11.636 14.232 1.00 48.51 C ATOM 2228 SG CYS B 121 1.069 -11.569 14.518 1.00 50.40 S ATOM 2229 N VAL B 122 -3.186 -11.978 12.408 1.00 48.60 N ATOM 2230 CA VAL B 122 -4.592 -12.043 12.057 1.00 48.91 C ATOM 2231 C VAL B 122 -4.698 -11.929 10.544 1.00 48.93 C ATOM 2232 O VAL B 122 -3.890 -11.253 9.927 1.00 50.27 O ATOM 2233 CB VAL B 122 -5.383 -10.879 12.722 1.00 49.06 C ATOM 2234 CG1 VAL B 122 -4.791 -9.530 12.314 1.00 49.76 C ATOM 2235 CG2 VAL B 122 -6.894 -10.959 12.371 1.00 48.21 C ATOM 2236 N LYS B 123 -5.680 -12.603 9.944 1.00 48.21 N ATOM 2237 CA LYS B 123 -5.847 -12.560 8.462 1.00 47.93 C ATOM 2238 C LYS B 123 -6.610 -11.326 8.012 1.00 47.26 C ATOM 2239 O LYS B 123 -7.778 -11.138 8.367 1.00 47.80 O ATOM 2240 CB LYS B 123 -6.535 -13.833 7.939 1.00 48.39 C ATOM 2241 N LEU B 124 -5.938 -10.477 7.241 1.00 46.42 N ATOM 2242 CA LEU B 124 -6.554 -9.275 6.695 1.00 45.35 C ATOM 2243 C LEU B 124 -7.084 -9.537 5.299 1.00 45.54 C ATOM 2244 O LEU B 124 -6.495 -10.307 4.537 1.00 45.53 O ATOM 2245 CB LEU B 124 -5.544 -8.143 6.643 1.00 45.40 C ATOM 2246 CG LEU B 124 -4.923 -7.672 7.962 1.00 44.39 C ATOM 2247 CD1 LEU B 124 -3.675 -6.859 7.682 1.00 44.09 C ATOM 2248 CD2 LEU B 124 -5.922 -6.866 8.774 1.00 41.81 C ATOM 2249 N ASN B 125 -8.201 -8.907 4.959 1.00 45.07 N ATOM 2250 CA ASN B 125 -8.651 -8.892 3.585 1.00 45.49 C ATOM 2251 C ASN B 125 -8.067 -7.682 2.800 1.00 45.68 C ATOM 2252 O ASN B 125 -7.233 -6.923 3.328 1.00 44.85 O ATOM 2253 CB ASN B 125 -10.183 -8.935 3.501 1.00 45.11 C ATOM 2254 CG ASN B 125 -10.837 -7.719 4.120 1.00 46.73 C ATOM 2255 OD1 ASN B 125 -11.911 -7.300 3.700 1.00 50.97 O ATOM 2256 ND2 ASN B 125 -10.204 -7.156 5.115 1.00 46.77 N ATOM 2257 N GLU B 126 -8.488 -7.530 1.546 1.00 45.61 N ATOM 2258 CA GLU B 126 -7.837 -6.598 0.641 1.00 45.69 C ATOM 2259 C GLU B 126 -8.100 -5.124 0.989 1.00 45.03 C ATOM 2260 O GLU B 126 -7.240 -4.277 0.764 1.00 44.86 O ATOM 2261 CB GLU B 126 -8.189 -6.906 -0.824 1.00 45.74 C ATOM 2262 CG GLU B 126 -9.515 -6.354 -1.289 1.00 47.35 C ATOM 2263 CD GLU B 126 -10.686 -7.112 -0.729 1.00 51.33 C ATOM 2264 OE1 GLU B 126 -10.505 -8.289 -0.336 1.00 53.41 O ATOM 2265 OE2 GLU B 126 -11.790 -6.529 -0.655 1.00 54.49 O ATOM 2266 N LYS B 127 -9.272 -4.837 1.586 1.00 44.78 N ATOM 2267 CA LYS B 127 -9.597 -3.455 2.075 1.00 44.42 C ATOM 2268 C LYS B 127 -8.774 -3.050 3.320 1.00 42.56 C ATOM 2269 O LYS B 127 -8.407 -1.896 3.483 1.00 43.05 O ATOM 2270 CB LYS B 127 -11.090 -3.315 2.367 1.00 45.29 C ATOM 2271 CG LYS B 127 -11.961 -3.106 1.118 1.00 47.32 C ATOM 2272 CD LYS B 127 -13.473 -3.318 1.438 1.00 47.23 C ATOM 2273 CE LYS B 127 -14.367 -3.083 0.163 1.00 50.90 C ATOM 2274 NZ LYS B 127 -15.763 -2.544 0.509 1.00 52.68 N ATOM 2275 N GLN B 128 -8.465 -4.015 4.160 1.00 40.87 N ATOM 2276 CA GLN B 128 -7.654 -3.764 5.347 1.00 38.88 C ATOM 2277 C GLN B 128 -6.153 -3.558 5.048 1.00 37.38 C ATOM 2278 O GLN B 128 -5.496 -2.747 5.698 1.00 36.47 O ATOM 2279 CB GLN B 128 -7.855 -4.874 6.377 1.00 38.72 C ATOM 2280 CG GLN B 128 -9.275 -4.903 6.962 1.00 39.23 C ATOM 2281 CD GLN B 128 -9.610 -6.219 7.624 1.00 41.16 C ATOM 2282 OE1 GLN B 128 -8.971 -7.240 7.365 1.00 40.24 O ATOM 2283 NE2 GLN B 128 -10.632 -6.208 8.475 1.00 43.97 N ATOM 2284 N VAL B 129 -5.618 -4.326 4.087 1.00 35.62 N ATOM 2285 CA VAL B 129 -4.259 -4.116 3.609 1.00 33.48 C ATOM 2286 C VAL B 129 -4.145 -2.714 3.010 1.00 33.93 C ATOM 2287 O VAL B 129 -3.192 -2.011 3.254 1.00 33.41 O ATOM 2288 CB VAL B 129 -3.848 -5.208 2.530 1.00 33.20 C ATOM 2289 CG1 VAL B 129 -2.810 -4.667 1.571 1.00 31.58 C ATOM 2290 CG2 VAL B 129 -3.343 -6.440 3.196 1.00 31.53 C ATOM 2291 N HIS B 130 -5.161 -2.315 2.240 1.00 34.35 N ATOM 2292 CA HIS B 130 -5.193 -1.001 1.639 1.00 34.26 C ATOM 2293 C HIS B 130 -5.140 0.068 2.732 1.00 34.92 C ATOM 2294 O HIS B 130 -4.315 0.993 2.672 1.00 35.87 O ATOM 2295 CB HIS B 130 -6.457 -0.836 0.779 1.00 33.84 C ATOM 2296 CG HIS B 130 -6.437 0.376 -0.111 1.00 34.02 C ATOM 2297 ND1 HIS B 130 -5.497 0.558 -1.106 1.00 34.43 N ATOM 2298 CD2 HIS B 130 -7.276 1.438 -0.191 1.00 34.02 C ATOM 2299 CE1 HIS B 130 -5.733 1.697 -1.732 1.00 34.45 C ATOM 2300 NE2 HIS B 130 -6.805 2.253 -1.196 1.00 36.34 N ATOM 2301 N ALA B 131 -5.965 -0.102 3.765 1.00 34.22 N ATOM 2302 CA ALA B 131 -6.023 0.853 4.867 1.00 33.94 C ATOM 2303 C ALA B 131 -4.687 0.991 5.624 1.00 34.49 C ATOM 2304 O ALA B 131 -4.275 2.114 5.969 1.00 35.86 O ATOM 2305 CB ALA B 131 -7.119 0.507 5.803 1.00 33.90 C ATOM 2306 N TYR B 132 -4.006 -0.127 5.868 1.00 33.69 N ATOM 2307 CA TYR B 132 -2.731 -0.083 6.596 1.00 34.11 C ATOM 2308 C TYR B 132 -1.653 0.689 5.844 1.00 34.11 C ATOM 2309 O TYR B 132 -0.881 1.440 6.453 1.00 34.34 O ATOM 2310 CB TYR B 132 -2.234 -1.477 6.939 1.00 34.56 C ATOM 2311 CG TYR B 132 -2.638 -1.958 8.319 1.00 35.81 C ATOM 2312 CD1 TYR B 132 -1.942 -1.538 9.468 1.00 34.56 C ATOM 2313 CD2 TYR B 132 -3.716 -2.849 8.482 1.00 36.38 C ATOM 2314 CE1 TYR B 132 -2.315 -2.002 10.756 1.00 34.84 C ATOM 2315 CE2 TYR B 132 -4.094 -3.308 9.745 1.00 36.58 C ATOM 2316 CZ TYR B 132 -3.389 -2.890 10.880 1.00 36.46 C ATOM 2317 OH TYR B 132 -3.780 -3.361 12.133 1.00 36.23 O ATOM 2318 N HIS B 133 -1.588 0.500 4.518 1.00 33.36 N ATOM 2319 CA HIS B 133 -0.653 1.283 3.683 1.00 32.79 C ATOM 2320 C HIS B 133 -0.868 2.796 3.843 1.00 31.54 C ATOM 2321 O HIS B 133 0.066 3.535 4.087 1.00 30.11 O ATOM 2322 CB HIS B 133 -0.766 0.889 2.213 1.00 33.07 C ATOM 2323 CG HIS B 133 0.047 -0.302 1.851 1.00 33.30 C ATOM 2324 ND1 HIS B 133 1.410 -0.239 1.656 1.00 35.05 N ATOM 2325 CD2 HIS B 133 -0.305 -1.592 1.641 1.00 31.24 C ATOM 2326 CE1 HIS B 133 1.864 -1.444 1.354 1.00 33.12 C ATOM 2327 NE2 HIS B 133 0.843 -2.280 1.340 1.00 34.83 N ATOM 2328 N LYS B 134 -2.110 3.239 3.700 1.00 30.92 N ATOM 2329 CA LYS B 134 -2.416 4.673 3.842 1.00 30.43 C ATOM 2330 C LYS B 134 -2.049 5.195 5.244 1.00 30.28 C ATOM 2331 O LYS B 134 -1.532 6.276 5.375 1.00 30.82 O ATOM 2332 CB LYS B 134 -3.887 4.958 3.531 1.00 30.08 C ATOM 2333 CG LYS B 134 -4.316 4.566 2.145 1.00 27.74 C ATOM 2334 CD LYS B 134 -5.690 5.118 1.827 1.00 29.35 C ATOM 2335 CE LYS B 134 -6.772 4.271 2.457 1.00 34.67 C ATOM 2336 NZ LYS B 134 -8.119 4.861 2.263 1.00 39.66 N ATOM 2337 N PHE B 135 -2.343 4.401 6.278 1.00 29.71 N ATOM 2338 CA PHE B 135 -1.914 4.705 7.636 1.00 29.95 C ATOM 2339 C PHE B 135 -0.419 5.078 7.666 1.00 31.17 C ATOM 2340 O PHE B 135 -0.036 6.162 8.158 1.00 31.38 O ATOM 2341 CB PHE B 135 -2.188 3.490 8.568 1.00 29.89 C ATOM 2342 CG PHE B 135 -1.607 3.630 9.948 1.00 29.95 C ATOM 2343 CD1 PHE B 135 -2.316 4.311 10.962 1.00 29.19 C ATOM 2344 CD2 PHE B 135 -0.351 3.084 10.254 1.00 29.55 C ATOM 2345 CE1 PHE B 135 -1.763 4.448 12.280 1.00 28.50 C ATOM 2346 CE2 PHE B 135 0.200 3.215 11.568 1.00 30.57 C ATOM 2347 CZ PHE B 135 -0.520 3.903 12.572 1.00 27.05 C ATOM 2348 N PHE B 136 0.415 4.186 7.140 1.00 31.49 N ATOM 2349 CA PHE B 136 1.837 4.367 7.184 1.00 32.25 C ATOM 2350 C PHE B 136 2.301 5.401 6.145 1.00 33.32 C ATOM 2351 O PHE B 136 3.225 6.151 6.393 1.00 34.36 O ATOM 2352 CB PHE B 136 2.564 3.013 6.987 1.00 32.54 C ATOM 2353 CG PHE B 136 2.651 2.158 8.263 1.00 32.57 C ATOM 2354 CD1 PHE B 136 3.622 2.420 9.236 1.00 32.43 C ATOM 2355 CD2 PHE B 136 1.778 1.096 8.470 1.00 33.77 C ATOM 2356 CE1 PHE B 136 3.715 1.637 10.380 1.00 32.70 C ATOM 2357 CE2 PHE B 136 1.872 0.291 9.639 1.00 30.75 C ATOM 2358 CZ PHE B 136 2.834 0.560 10.571 1.00 32.99 C ATOM 2359 N ASP B 137 1.610 5.471 5.007 1.00 34.40 N ATOM 2360 CA ASP B 137 1.950 6.458 3.972 1.00 35.36 C ATOM 2361 C ASP B 137 1.855 7.875 4.525 1.00 36.44 C ATOM 2362 O ASP B 137 2.722 8.711 4.264 1.00 36.90 O ATOM 2363 CB ASP B 137 1.036 6.311 2.744 1.00 35.32 C ATOM 2364 CG ASP B 137 1.457 5.142 1.813 1.00 36.18 C ATOM 2365 OD1 ASP B 137 2.567 4.594 1.975 1.00 35.60 O ATOM 2366 OD2 ASP B 137 0.661 4.786 0.927 1.00 38.04 O ATOM 2367 N ARG B 138 0.803 8.134 5.310 1.00 37.41 N ATOM 2368 CA ARG B 138 0.544 9.460 5.842 1.00 38.34 C ATOM 2369 C ARG B 138 1.407 9.760 7.072 1.00 39.45 C ATOM 2370 O ARG B 138 1.906 10.878 7.230 1.00 39.84 O ATOM 2371 CB ARG B 138 -0.921 9.623 6.168 1.00 38.26 C ATOM 2372 CG ARG B 138 -1.230 10.817 7.008 1.00 40.51 C ATOM 2373 CD ARG B 138 -1.209 12.101 6.192 1.00 44.58 C ATOM 2374 NE ARG B 138 -2.534 12.711 6.111 1.00 46.51 N ATOM 2375 CZ ARG B 138 -3.298 12.705 5.019 1.00 49.90 C ATOM 2376 NH1 ARG B 138 -2.865 12.124 3.886 1.00 50.49 N ATOM 2377 NH2 ARG B 138 -4.498 13.271 5.051 1.00 50.92 N ATOM 2378 N ALA B 139 1.608 8.746 7.928 1.00 39.89 N ATOM 2379 CA ALA B 139 2.614 8.834 9.006 1.00 39.32 C ATOM 2380 C ALA B 139 3.938 9.358 8.458 1.00 40.33 C ATOM 2381 O ALA B 139 4.536 10.274 9.026 1.00 40.47 O ATOM 2382 CB ALA B 139 2.812 7.493 9.655 1.00 38.34 C ATOM 2383 N TYR B 140 4.382 8.780 7.337 1.00 40.44 N ATOM 2384 CA TYR B 140 5.677 9.121 6.751 1.00 40.55 C ATOM 2385 C TYR B 140 5.662 10.528 6.098 1.00 40.98 C ATOM 2386 O TYR B 140 6.612 11.293 6.235 1.00 41.00 O ATOM 2387 CB TYR B 140 6.098 8.067 5.710 1.00 40.07 C ATOM 2388 CG TYR B 140 6.443 6.702 6.281 1.00 39.60 C ATOM 2389 CD1 TYR B 140 6.797 6.551 7.625 1.00 40.77 C ATOM 2390 CD2 TYR B 140 6.466 5.554 5.453 1.00 38.24 C ATOM 2391 CE1 TYR B 140 7.143 5.278 8.157 1.00 39.92 C ATOM 2392 CE2 TYR B 140 6.803 4.288 5.968 1.00 37.01 C ATOM 2393 CZ TYR B 140 7.147 4.161 7.322 1.00 39.09 C ATOM 2394 OH TYR B 140 7.507 2.928 7.835 1.00 37.98 O ATOM 2395 N ASP B 141 4.587 10.847 5.381 1.00 41.44 N ATOM 2396 CA ASP B 141 4.448 12.186 4.766 1.00 41.45 C ATOM 2397 C ASP B 141 4.600 13.290 5.807 1.00 42.75 C ATOM 2398 O ASP B 141 5.351 14.251 5.601 1.00 43.42 O ATOM 2399 CB ASP B 141 3.107 12.319 4.032 1.00 40.32 C ATOM 2400 CG ASP B 141 3.034 11.434 2.774 1.00 38.80 C ATOM 2401 OD1 ASP B 141 4.082 11.143 2.205 1.00 33.68 O ATOM 2402 OD2 ASP B 141 1.922 10.985 2.410 1.00 39.44 O ATOM 2403 N ILE B 142 3.898 13.131 6.937 1.00 44.03 N ATOM 2404 CA ILE B 142 4.023 14.025 8.079 1.00 44.36 C ATOM 2405 C ILE B 142 5.463 14.056 8.613 1.00 45.50 C ATOM 2406 O ILE B 142 6.010 15.111 8.859 1.00 46.40 O ATOM 2407 CB ILE B 142 3.046 13.612 9.227 1.00 44.74 C ATOM 2408 CG1 ILE B 142 1.592 13.954 8.852 1.00 43.37 C ATOM 2409 CG2 ILE B 142 3.456 14.272 10.566 1.00 44.03 C ATOM 2410 CD1 ILE B 142 0.540 13.120 9.606 1.00 43.60 C ATOM 2411 N ALA B 143 6.066 12.887 8.768 1.00 46.57 N ATOM 2412 CA ALA B 143 7.411 12.789 9.359 1.00 47.53 C ATOM 2413 C ALA B 143 8.481 13.499 8.507 1.00 48.85 C ATOM 2414 O ALA B 143 9.419 14.095 9.052 1.00 49.36 O ATOM 2415 CB ALA B 143 7.799 11.311 9.592 1.00 46.56 C ATOM 2416 N PHE B 144 8.346 13.406 7.173 1.00 49.53 N ATOM 2417 CA PHE B 144 9.365 13.909 6.252 1.00 50.58 C ATOM 2418 C PHE B 144 9.216 15.388 5.986 1.00 51.30 C ATOM 2419 O PHE B 144 10.211 16.099 5.842 1.00 50.66 O ATOM 2420 CB PHE B 144 9.342 13.131 4.941 1.00 50.61 C ATOM 2421 CG PHE B 144 10.212 11.909 4.951 1.00 51.42 C ATOM 2422 CD1 PHE B 144 9.802 10.747 5.612 1.00 50.73 C ATOM 2423 CD2 PHE B 144 11.458 11.922 4.335 1.00 52.20 C ATOM 2424 CE1 PHE B 144 10.622 9.620 5.648 1.00 51.32 C ATOM 2425 CE2 PHE B 144 12.292 10.781 4.368 1.00 52.22 C ATOM 2426 CZ PHE B 144 11.872 9.641 5.016 1.00 51.33 C ATOM 2427 N ALA B 145 7.964 15.850 5.911 1.00 52.81 N ATOM 2428 CA ALA B 145 7.657 17.292 5.909 1.00 54.22 C ATOM 2429 C ALA B 145 8.242 17.993 7.138 1.00 55.57 C ATOM 2430 O ALA B 145 8.690 19.125 7.059 1.00 56.62 O ATOM 2431 CB ALA B 145 6.156 17.519 5.835 1.00 53.59 C ATOM 2432 N GLU B 146 8.254 17.302 8.257 1.00 57.01 N ATOM 2433 CA GLU B 146 8.761 17.870 9.469 1.00 58.50 C ATOM 2434 C GLU B 146 10.267 17.892 9.503 1.00 59.28 C ATOM 2435 O GLU B 146 10.862 18.830 10.025 1.00 59.82 O ATOM 2436 CB GLU B 146 8.208 17.136 10.680 1.00 58.58 C ATOM 2437 CG GLU B 146 7.123 17.917 11.410 1.00 60.44 C ATOM 2438 CD GLU B 146 7.690 19.100 12.204 1.00 62.09 C ATOM 2439 OE1 GLU B 146 8.873 19.021 12.636 1.00 59.64 O ATOM 2440 OE2 GLU B 146 6.950 20.098 12.404 1.00 63.32 O ATOM 2441 N MET B 147 10.891 16.863 8.946 1.00 60.30 N ATOM 2442 CA MET B 147 12.349 16.832 8.827 1.00 61.84 C ATOM 2443 C MET B 147 12.866 17.909 7.846 1.00 62.90 C ATOM 2444 O MET B 147 13.999 18.392 7.979 1.00 63.40 O ATOM 2445 CB MET B 147 12.831 15.446 8.398 1.00 61.57 C ATOM 2446 CG MET B 147 12.886 14.427 9.534 1.00 62.04 C ATOM 2447 SD MET B 147 13.456 12.802 8.984 1.00 62.04 S ATOM 2448 CE MET B 147 12.968 11.773 10.346 1.00 62.53 C ATOM 2449 N ALA B 148 12.014 18.295 6.886 1.00 63.95 N ATOM 2450 CA ALA B 148 12.345 19.360 5.919 1.00 64.70 C ATOM 2451 C ALA B 148 12.431 20.775 6.583 1.00 65.14 C ATOM 2452 O ALA B 148 12.589 21.792 5.885 1.00 65.42 O ATOM 2453 CB ALA B 148 11.341 19.361 4.762 1.00 64.46 C ATOM 2454 N LYS B 149 12.609 20.599 7.859 1.00 65.11 N ATOM 2455 CA LYS B 149 13.210 21.598 8.652 1.00 64.80 C ATOM 2456 C LYS B 149 14.755 21.307 8.528 1.00 65.38 C ATOM 2457 O LYS B 149 15.534 21.852 9.312 1.00 65.26 O ATOM 2458 CB LYS B 149 12.860 21.471 10.127 1.00 64.66 C ATOM 2459 CG LYS B 149 14.018 20.896 10.955 1.00 63.42 C ATOM 2460 CD LYS B 149 13.538 19.754 11.844 1.00 62.80 C ATOM 2461 CE LYS B 149 14.473 18.565 11.804 1.00 61.05 C ATOM 2462 NZ LYS B 149 13.938 17.419 12.589 1.00 57.92 N TER 2463 LYS B 149 HETATM 2464 CHA HEM A1152 1.731 16.358 -16.629 1.00 42.22 C HETATM 2465 CHB HEM A1152 2.107 11.553 -15.576 1.00 40.34 C HETATM 2466 CHC HEM A1152 1.297 12.401 -10.846 1.00 39.76 C HETATM 2467 CHD HEM A1152 0.596 17.138 -11.902 1.00 42.58 C HETATM 2468 C1A HEM A1152 1.846 14.978 -16.770 1.00 43.39 C HETATM 2469 C2A HEM A1152 1.901 14.239 -18.029 1.00 44.29 C HETATM 2470 C3A HEM A1152 1.995 12.921 -17.741 1.00 42.57 C HETATM 2471 C4A HEM A1152 2.019 12.767 -16.283 1.00 40.14 C HETATM 2472 CMA HEM A1152 2.090 11.780 -18.795 1.00 41.35 C HETATM 2473 CAA HEM A1152 1.786 14.835 -19.454 1.00 43.95 C HETATM 2474 CBA HEM A1152 3.025 15.615 -19.871 1.00 50.18 C HETATM 2475 CGA HEM A1152 2.839 15.996 -21.335 1.00 54.05 C HETATM 2476 O1A HEM A1152 3.880 16.136 -22.052 1.00 55.15 O HETATM 2477 O2A HEM A1152 1.635 16.126 -21.794 1.00 51.61 O HETATM 2478 C1B HEM A1152 1.928 11.348 -14.202 1.00 38.62 C HETATM 2479 C2B HEM A1152 2.060 10.081 -13.484 1.00 39.59 C HETATM 2480 C3B HEM A1152 1.823 10.320 -12.169 1.00 38.74 C HETATM 2481 C4B HEM A1152 1.567 11.738 -12.024 1.00 40.14 C HETATM 2482 CMB HEM A1152 2.359 8.695 -14.138 1.00 39.57 C HETATM 2483 CAB HEM A1152 1.853 9.292 -10.995 1.00 37.06 C HETATM 2484 CBB HEM A1152 1.210 8.132 -11.080 1.00 36.70 C HETATM 2485 C1C HEM A1152 0.981 13.733 -10.739 1.00 40.42 C HETATM 2486 C2C HEM A1152 0.473 14.384 -9.551 1.00 40.91 C HETATM 2487 C3C HEM A1152 0.266 15.694 -9.843 1.00 41.22 C HETATM 2488 C4C HEM A1152 0.639 15.911 -11.233 1.00 40.92 C HETATM 2489 CMC HEM A1152 0.191 13.687 -8.210 1.00 40.57 C HETATM 2490 CAC HEM A1152 -0.267 16.787 -8.876 1.00 39.58 C HETATM 2491 CBC HEM A1152 -1.534 16.753 -8.456 1.00 39.22 C HETATM 2492 C1D HEM A1152 0.762 17.378 -13.265 1.00 43.81 C HETATM 2493 C2D HEM A1152 0.442 18.611 -13.960 1.00 45.60 C HETATM 2494 C3D HEM A1152 0.812 18.379 -15.416 1.00 45.88 C HETATM 2495 C4D HEM A1152 1.302 17.013 -15.491 1.00 43.66 C HETATM 2496 CMD HEM A1152 -0.139 19.915 -13.344 1.00 44.76 C HETATM 2497 CAD HEM A1152 0.626 19.373 -16.587 1.00 45.48 C HETATM 2498 CBD HEM A1152 -0.793 19.196 -17.126 1.00 47.75 C HETATM 2499 CGD HEM A1152 -0.945 19.837 -18.488 1.00 48.98 C HETATM 2500 O1D HEM A1152 -1.883 19.438 -19.229 1.00 49.76 O HETATM 2501 O2D HEM A1152 -0.157 20.765 -18.818 1.00 49.30 O HETATM 2502 NA HEM A1152 1.931 14.046 -15.727 1.00 41.51 N HETATM 2503 NB HEM A1152 1.629 12.321 -13.278 1.00 40.57 N HETATM 2504 NC HEM A1152 1.073 14.692 -11.750 1.00 40.05 N HETATM 2505 ND HEM A1152 1.261 16.458 -14.201 1.00 42.52 N HETATM 2506 FE HEM A1152 1.411 14.437 -13.713 1.00 37.58 FE HETATM 2507 O1 OXY A1153 -0.260 14.295 -14.492 1.00 36.92 O HETATM 2508 O2 OXY A1153 -0.911 14.097 -13.495 1.00 39.21 O HETATM 2509 CHA HEM B1152 15.742 4.331 17.053 1.00 48.41 C HETATM 2510 CHB HEM B1152 10.986 4.156 15.937 1.00 47.09 C HETATM 2511 CHC HEM B1152 11.995 3.402 11.253 1.00 43.09 C HETATM 2512 CHD HEM B1152 16.771 3.510 12.266 1.00 46.38 C HETATM 2513 C1A HEM B1152 14.371 4.369 17.172 1.00 50.40 C HETATM 2514 C2A HEM B1152 13.618 4.627 18.404 1.00 52.22 C HETATM 2515 C3A HEM B1152 12.305 4.585 18.091 1.00 51.53 C HETATM 2516 C4A HEM B1152 12.179 4.287 16.653 1.00 48.16 C HETATM 2517 CMA HEM B1152 11.133 4.798 19.087 1.00 50.30 C HETATM 2518 CAA HEM B1152 14.222 4.901 19.823 1.00 53.12 C HETATM 2519 CBA HEM B1152 14.018 6.383 20.196 1.00 58.75 C HETATM 2520 CGA HEM B1152 15.304 7.003 20.727 1.00 61.59 C HETATM 2521 O1A HEM B1152 15.250 7.661 21.805 1.00 62.42 O HETATM 2522 O2A HEM B1152 16.376 6.865 20.060 1.00 62.98 O HETATM 2523 C1B HEM B1152 10.840 3.849 14.574 1.00 44.64 C HETATM 2524 C2B HEM B1152 9.593 3.501 13.887 1.00 43.94 C HETATM 2525 C3B HEM B1152 9.883 3.302 12.587 1.00 44.63 C HETATM 2526 C4B HEM B1152 11.303 3.519 12.421 1.00 43.90 C HETATM 2527 CMB HEM B1152 8.192 3.397 14.540 1.00 42.00 C HETATM 2528 CAB HEM B1152 8.896 2.887 11.444 1.00 43.73 C HETATM 2529 CBB HEM B1152 7.595 3.165 11.507 1.00 42.71 C HETATM 2530 C1C HEM B1152 13.362 3.315 11.129 1.00 43.34 C HETATM 2531 C2C HEM B1152 14.063 2.952 9.926 1.00 43.14 C HETATM 2532 C3C HEM B1152 15.396 2.962 10.199 1.00 43.40 C HETATM 2533 C4C HEM B1152 15.564 3.350 11.597 1.00 44.28 C HETATM 2534 CMC HEM B1152 13.383 2.622 8.575 1.00 42.93 C HETATM 2535 CAC HEM B1152 16.549 2.672 9.203 1.00 41.96 C HETATM 2536 CBC HEM B1152 16.377 1.815 8.192 1.00 41.48 C HETATM 2537 C1D HEM B1152 16.952 3.751 13.632 1.00 49.18 C HETATM 2538 C2D HEM B1152 18.232 3.885 14.312 1.00 50.19 C HETATM 2539 C3D HEM B1152 17.911 4.140 15.783 1.00 50.49 C HETATM 2540 C4D HEM B1152 16.463 4.136 15.885 1.00 49.02 C HETATM 2541 CMD HEM B1152 19.639 3.781 13.679 1.00 49.49 C HETATM 2542 CAD HEM B1152 18.923 4.327 16.938 1.00 50.69 C HETATM 2543 CBD HEM B1152 18.621 3.314 18.049 1.00 55.60 C HETATM 2544 CGD HEM B1152 19.882 2.953 18.799 1.00 58.85 C HETATM 2545 O1D HEM B1152 20.160 1.722 18.945 1.00 58.24 O HETATM 2546 O2D HEM B1152 20.605 3.894 19.265 1.00 60.36 O HETATM 2547 NA HEM B1152 13.458 4.178 16.133 1.00 47.51 N HETATM 2548 NB HEM B1152 11.844 3.852 13.642 1.00 44.43 N HETATM 2549 NC HEM B1152 14.307 3.553 12.131 1.00 44.20 N HETATM 2550 ND HEM B1152 15.923 3.913 14.594 1.00 47.60 N HETATM 2551 FE HEM B1152 13.958 3.912 14.092 1.00 46.55 FE HETATM 2552 O1 OXY B1153 14.771 1.584 14.164 1.00 70.19 O HETATM 2553 O2 OXY B1153 13.617 1.789 14.417 1.00 69.16 O HETATM 2554 O HOH A2001 1.483 18.753 -3.531 1.00 45.64 O HETATM 2555 O HOH A2002 8.544 -0.592 -2.737 1.00 27.53 O HETATM 2556 O HOH B2001 -7.702 -4.757 24.236 1.00 51.73 O HETATM 2557 O HOH B2002 -3.297 0.118 25.540 1.00 47.41 O HETATM 2558 O HOH B2003 -9.283 4.278 0.025 1.00 38.72 O HETATM 2559 O HOH B2004 -0.756 10.872 2.503 1.00 34.71 O CONECT 810 2506 CONECT 2032 2551 CONECT 2464 2468 2495 CONECT 2465 2471 2478 CONECT 2466 2481 2485 CONECT 2467 2488 2492 CONECT 2468 2464 2469 2502 CONECT 2469 2468 2470 2473 CONECT 2470 2469 2471 2472 CONECT 2471 2465 2470 2502 CONECT 2472 2470 CONECT 2473 2469 2474 CONECT 2474 2473 2475 CONECT 2475 2474 2476 2477 CONECT 2476 2475 CONECT 2477 2475 CONECT 2478 2465 2479 2503 CONECT 2479 2478 2480 2482 CONECT 2480 2479 2481 2483 CONECT 2481 2466 2480 2503 CONECT 2482 2479 CONECT 2483 2480 2484 CONECT 2484 2483 CONECT 2485 2466 2486 2504 CONECT 2486 2485 2487 2489 CONECT 2487 2486 2488 2490 CONECT 2488 2467 2487 2504 CONECT 2489 2486 CONECT 2490 2487 2491 CONECT 2491 2490 CONECT 2492 2467 2493 2505 CONECT 2493 2492 2494 2496 CONECT 2494 2493 2495 2497 CONECT 2495 2464 2494 2505 CONECT 2496 2493 CONECT 2497 2494 2498 CONECT 2498 2497 2499 CONECT 2499 2498 2500 2501 CONECT 2500 2499 CONECT 2501 2499 CONECT 2502 2468 2471 2506 CONECT 2503 2478 2481 2506 CONECT 2504 2485 2488 2506 CONECT 2505 2492 2495 2506 CONECT 2506 810 2502 2503 2504 CONECT 2506 2505 2507 2508 CONECT 2507 2506 2508 CONECT 2508 2506 2507 CONECT 2509 2513 2540 CONECT 2510 2516 2523 CONECT 2511 2526 2530 CONECT 2512 2533 2537 CONECT 2513 2509 2514 2547 CONECT 2514 2513 2515 2518 CONECT 2515 2514 2516 2517 CONECT 2516 2510 2515 2547 CONECT 2517 2515 CONECT 2518 2514 2519 CONECT 2519 2518 2520 CONECT 2520 2519 2521 2522 CONECT 2521 2520 CONECT 2522 2520 CONECT 2523 2510 2524 2548 CONECT 2524 2523 2525 2527 CONECT 2525 2524 2526 2528 CONECT 2526 2511 2525 2548 CONECT 2527 2524 CONECT 2528 2525 2529 CONECT 2529 2528 CONECT 2530 2511 2531 2549 CONECT 2531 2530 2532 2534 CONECT 2532 2531 2533 2535 CONECT 2533 2512 2532 2549 CONECT 2534 2531 CONECT 2535 2532 2536 CONECT 2536 2535 CONECT 2537 2512 2538 2550 CONECT 2538 2537 2539 2541 CONECT 2539 2538 2540 2542 CONECT 2540 2509 2539 2550 CONECT 2541 2538 CONECT 2542 2539 2543 CONECT 2543 2542 2544 CONECT 2544 2543 2545 2546 CONECT 2545 2544 CONECT 2546 2544 CONECT 2547 2513 2516 2551 CONECT 2548 2523 2526 2551 CONECT 2549 2530 2533 2551 CONECT 2550 2537 2540 2551 CONECT 2551 2032 2547 2548 2549 CONECT 2551 2550 2552 2553 CONECT 2552 2551 2553 CONECT 2553 2551 2552 MASTER 338 0 4 20 0 0 10 9 2557 2 94 24 END If you find results from this site helpful for your research, please cite one of our papers:
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