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| author | bgruening |
|---|---|
| date | Mon, 12 Aug 2019 13:27:10 -0400 |
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| children | 4cc9d85c3bae |
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HEADER CHAPERONE 04-MAY-05 2BRC TITLE STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90. COMPND MOL_ID: 1; COMPND 2 MOLECULE: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINUS, RESIDUES 1-214; COMPND 5 SYNONYM: HSP90,HEAT SHOCK PROTEIN HSP90,82 KDA HEAT SHOCK PROTEIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ATP-BINDING, CHAPERONE, HEAT SHOCK, INHIBITOR, MULTIGENE FAMILY, KEYWDS 2 CHAPERONE-COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR S.M.ROE,L.H.PEARL,C.PRODROMOU REVDAT 3 28-FEB-18 2BRC 1 JRNL REVDAT 2 24-FEB-09 2BRC 1 VERSN REVDAT 1 29-SEP-05 2BRC 0 JRNL AUTH K.M.CHEUNG,T.P.MATTHEWS,K.JAMES,M.G.ROWLANDS,K.J.BOXALL, JRNL AUTH 2 S.Y.SHARP,A.MALONEY,S.M.ROE,C.PRODROMOU,L.H.PEARL, JRNL AUTH 3 G.W.AHERNE,E.MCDONALD,P.WORKMAN JRNL TITL THE IDENTIFICATION, SYNTHESIS, PROTEIN CRYSTAL STRUCTURE AND JRNL TITL 2 IN VITRO BIOCHEMICAL EVALUATION OF A NEW 3,4-DIARYLPYRAZOLE JRNL TITL 3 CLASS OF HSP90 INHIBITORS. JRNL REF BIOORG. MED. CHEM. LETT. V. 15 3338 2005 JRNL REFN ISSN 0960-894X JRNL PMID 15955698 JRNL DOI 10.1016/J.BMCL.2005.05.046 REMARK 2 REMARK 2 RESOLUTION. 1.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.0 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 74.54 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 39187 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) : 0.188 REMARK 3 R VALUE (WORKING SET) : 0.187 REMARK 3 FREE R VALUE : 0.214 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 2067 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) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 REMARK 3 REFLECTION IN BIN (WORKING SET) : 2844 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.2260 REMARK 3 BIN FREE R VALUE SET COUNT : 159 REMARK 3 BIN FREE R VALUE : 0.2770 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1664 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 26 REMARK 3 SOLVENT ATOMS : 258 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 21.14 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.40000 REMARK 3 B22 (A**2) : -0.40000 REMARK 3 B33 (A**2) : 0.79000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.076 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.078 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.053 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 1.480 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.958 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.953 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1717 ; 0.016 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2325 ; 1.820 ; 1.985 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 213 ; 5.073 ; 3.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 308 ;14.190 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): NULL ; NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 270 ; 0.131 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1276 ; 0.008 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 865 ; 0.236 ; 0.300 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 256 ; 0.191 ; 0.500 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): 39 ; 0.318 ; 0.300 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 24 ; 0.589 ; 0.500 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): 1062 ; 1.031 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1716 ; 1.864 ; 2.000 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 655 ; 3.090 ; 3.000 REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 609 ; 4.994 ; 4.500 REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS. REMARK 4 REMARK 4 2BRC COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 04-MAY-05. REMARK 100 THE DEPOSITION ID IS D_1290023902. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 14-NOV-01 REMARK 200 TEMPERATURE (KELVIN) : 100.0 REMARK 200 PH : 7.00 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : ESRF REMARK 200 BEAMLINE : ID14-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.934 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 41319 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 38.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 5.200 REMARK 200 R MERGE (I) : 0.08000 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 15.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 4.70 REMARK 200 R MERGE FOR SHELL (I) : 0.32000 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 <I/SIGMA(I)> FOR SHELL : 3.600 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: PDB ENTRY 1BGQ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.42 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.00 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y,X,Z+3/4 REMARK 290 4555 Y,-X,Z+1/4 REMARK 290 5555 -X,Y,-Z REMARK 290 6555 X,-Y,-Z+1/2 REMARK 290 7555 Y,X,-Z+1/4 REMARK 290 8555 -Y,-X,-Z+3/4 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 55.39600 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 83.09400 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 27.69800 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 55.39600 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 27.69800 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 83.09400 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PQS REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 MET A 1 CG SD CE REMARK 470 ARG A 32 CD NE CZ NH1 NH2 REMARK 470 LYS A 54 CD CE NZ REMARK 470 GLU A 71 CG CD OE1 OE2 REMARK 470 LYS A 98 CG CD CE NZ REMARK 470 LYS A 102 CD CE NZ REMARK 470 LYS A 188 CD CE NZ REMARK 470 LYS A 195 CE NZ REMARK 470 ARG A 196 CG CD NE CZ NH1 NH2 REMARK 470 GLU A 214 CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O SER A 99 O HOH A 2150 1.91 REMARK 500 OD1 ASP A 40 O HOH A 2072 2.08 REMARK 500 C SER A 99 O HOH A 2150 2.17 REMARK 500 O HOH A 2043 O HOH A 2118 2.17 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 2150 O HOH A 2150 5555 0.55 REMARK 500 O HOH A 2080 O HOH A 2080 8554 1.07 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 43 CB - CG - OD2 ANGL. DEV. = 7.7 DEGREES REMARK 500 ASP A 132 CB - CG - OD2 ANGL. DEV. = 6.2 DEGREES REMARK 500 ASP A 142 CB - CG - OD2 ANGL. DEV. = 6.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 TYR A 24 132.19 -39.44 REMARK 500 ASP A 52 68.04 -150.55 REMARK 500 GLU A 59 87.65 -172.16 REMARK 500 THR A 95 -58.55 -128.28 REMARK 500 PHE A 200 68.61 -111.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A2003 DISTANCE = 5.89 ANGSTROMS REMARK 525 HOH A2023 DISTANCE = 6.11 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CT5 A1215 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1A4H RELATED DB: PDB REMARK 900 STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN REMARK 900 COMPLEX WITH GELDANAMYCIN REMARK 900 RELATED ID: 1AH6 RELATED DB: PDB REMARK 900 STRUCTURE OF THE TETRAGONAL FORM OF THE N -TERMINAL DOMAIN OF THE REMARK 900 YEAST HSP90 CHAPERONE REMARK 900 RELATED ID: 1AH8 RELATED DB: PDB REMARK 900 STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE REMARK 900 YEAST HSP90 CHAPERONE REMARK 900 RELATED ID: 1AM1 RELATED DB: PDB REMARK 900 ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 1AMW RELATED DB: PDB REMARK 900 ADP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE REMARK 900 RELATED ID: 1BGQ RELATED DB: PDB REMARK 900 RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF REMARK 900 THE YEAST HSP90 CHAPERONE REMARK 900 RELATED ID: 1HK7 RELATED DB: PDB REMARK 900 MIDDLE DOMAIN OF HSP90 REMARK 900 RELATED ID: 1US7 RELATED DB: PDB REMARK 900 COMPLEX OF HSP90 AND P50 REMARK 900 RELATED ID: 1USU RELATED DB: PDB REMARK 900 THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90 REMARK 900 RELATED ID: 1USV RELATED DB: PDB REMARK 900 THE STRUCTURE OF THE COMPLEX BETWEEN AHA1 AND HSP90 REMARK 900 RELATED ID: 2BRE RELATED DB: PDB REMARK 900 STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST REMARK 900 HSP90. DBREF 2BRC A 1 214 UNP P02829 HSP82_YEAST 1 214 SEQRES 1 A 214 MET ALA SER GLU THR PHE GLU PHE GLN ALA GLU ILE THR SEQRES 2 A 214 GLN LEU MET SER LEU ILE ILE ASN THR VAL TYR SER ASN SEQRES 3 A 214 LYS GLU ILE PHE LEU ARG GLU LEU ILE SER ASN ALA SER SEQRES 4 A 214 ASP ALA LEU ASP LYS ILE ARG TYR LYS SER LEU SER ASP SEQRES 5 A 214 PRO LYS GLN LEU GLU THR GLU PRO ASP LEU PHE ILE ARG SEQRES 6 A 214 ILE THR PRO LYS PRO GLU GLN LYS VAL LEU GLU ILE ARG SEQRES 7 A 214 ASP SER GLY ILE GLY MET THR LYS ALA GLU LEU ILE ASN SEQRES 8 A 214 ASN LEU GLY THR ILE ALA LYS SER GLY THR LYS ALA PHE SEQRES 9 A 214 MET GLU ALA LEU SER ALA GLY ALA ASP VAL SER MET ILE SEQRES 10 A 214 GLY GLN PHE GLY VAL GLY PHE TYR SER LEU PHE LEU VAL SEQRES 11 A 214 ALA ASP ARG VAL GLN VAL ILE SER LYS SER ASN ASP ASP SEQRES 12 A 214 GLU GLN TYR ILE TRP GLU SER ASN ALA GLY GLY SER PHE SEQRES 13 A 214 THR VAL THR LEU ASP GLU VAL ASN GLU ARG ILE GLY ARG SEQRES 14 A 214 GLY THR ILE LEU ARG LEU PHE LEU LYS ASP ASP GLN LEU SEQRES 15 A 214 GLU TYR LEU GLU GLU LYS ARG ILE LYS GLU VAL ILE LYS SEQRES 16 A 214 ARG HIS SER GLU PHE VAL ALA TYR PRO ILE GLN LEU VAL SEQRES 17 A 214 VAL THR LYS GLU VAL GLU HET CT5 A1215 26 HETNAM CT5 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H- HETNAM 2 CT5 PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL FORMUL 2 CT5 C20 H20 N2 O4 FORMUL 3 HOH *258(H2 O) HELIX 1 1 GLN A 9 THR A 22 1 14 HELIX 2 2 GLU A 28 LEU A 50 1 23 HELIX 3 3 ASP A 52 GLU A 57 5 6 HELIX 4 4 PRO A 70 GLN A 72 5 3 HELIX 5 5 THR A 85 THR A 95 1 11 HELIX 6 6 ALA A 97 GLY A 111 1 15 HELIX 7 7 ASP A 113 GLY A 121 5 9 HELIX 8 8 VAL A 122 LEU A 129 5 8 HELIX 9 9 GLN A 181 LEU A 185 5 5 HELIX 10 10 GLU A 186 SER A 198 1 13 SHEET 1 AA 8 GLU A 4 GLU A 7 0 SHEET 2 AA 8 SER A 155 LEU A 160 -1 O PHE A 156 N PHE A 6 SHEET 3 AA 8 TYR A 146 SER A 150 -1 O ILE A 147 N THR A 159 SHEET 4 AA 8 ALA A 131 LYS A 139 -1 O VAL A 134 N SER A 150 SHEET 5 AA 8 GLY A 170 LEU A 177 -1 O GLY A 170 N LYS A 139 SHEET 6 AA 8 VAL A 74 ASP A 79 -1 O LEU A 75 N LEU A 175 SHEET 7 AA 8 ILE A 64 LYS A 69 -1 O ARG A 65 N ARG A 78 SHEET 8 AA 8 ILE A 205 LEU A 207 1 O GLN A 206 N ILE A 66 SITE 1 AC1 13 ASN A 37 ASP A 40 ALA A 41 ASP A 79 SITE 2 AC1 13 ILE A 82 GLY A 83 MET A 84 LEU A 93 SITE 3 AC1 13 PHE A 124 THR A 171 LEU A 173 HOH A2137 SITE 4 AC1 13 HOH A2258 CRYST1 74.001 74.001 110.792 90.00 90.00 90.00 P 43 2 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013513 0.000000 0.000000 0.00000 SCALE2 0.000000 0.013513 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009026 0.00000 ATOM 1 N MET A 1 33.050 12.973 3.916 1.00 39.39 N ATOM 2 CA MET A 1 32.080 14.100 3.862 1.00 38.29 C ATOM 3 C MET A 1 30.953 13.936 4.885 1.00 37.36 C ATOM 4 O MET A 1 30.838 12.911 5.590 1.00 37.93 O ATOM 5 CB MET A 1 31.526 14.308 2.438 1.00 38.85 C ATOM 6 N ALA A 2 30.143 14.975 4.991 1.00 35.49 N ATOM 7 CA ALA A 2 29.061 14.961 5.946 1.00 33.10 C ATOM 8 C ALA A 2 27.916 14.113 5.410 1.00 31.03 C ATOM 9 O ALA A 2 27.625 14.096 4.218 1.00 30.48 O ATOM 10 CB ALA A 2 28.585 16.359 6.229 1.00 33.84 C ATOM 11 N SER A 3 27.291 13.413 6.329 1.00 28.88 N ATOM 12 CA SER A 3 26.114 12.628 6.050 1.00 26.78 C ATOM 13 C SER A 3 24.897 13.548 6.013 1.00 25.46 C ATOM 14 O SER A 3 24.903 14.616 6.635 1.00 27.72 O ATOM 15 CB SER A 3 25.930 11.628 7.186 1.00 26.97 C ATOM 16 OG SER A 3 27.070 10.778 7.297 1.00 29.95 O ATOM 17 N GLU A 4 23.863 13.159 5.271 1.00 22.40 N ATOM 18 CA GLU A 4 22.588 13.858 5.311 1.00 21.11 C ATOM 19 C GLU A 4 21.595 12.891 5.949 1.00 20.34 C ATOM 20 O GLU A 4 21.680 11.672 5.722 1.00 18.50 O ATOM 21 CB GLU A 4 22.116 14.172 3.908 1.00 21.46 C ATOM 22 CG GLU A 4 22.892 15.306 3.261 1.00 26.09 C ATOM 23 CD GLU A 4 22.630 15.384 1.769 1.00 32.97 C ATOM 24 OE1 GLU A 4 21.465 15.617 1.387 1.00 38.16 O ATOM 25 OE2 GLU A 4 23.584 15.218 0.979 1.00 38.74 O ATOM 26 N THR A 5 20.671 13.426 6.740 1.00 19.30 N ATOM 27 CA THR A 5 19.715 12.600 7.462 1.00 19.48 C ATOM 28 C THR A 5 18.312 12.789 6.889 1.00 19.54 C ATOM 29 O THR A 5 17.901 13.921 6.561 1.00 20.44 O ATOM 30 CB THR A 5 19.775 12.951 8.950 1.00 19.50 C ATOM 31 OG1 THR A 5 21.094 12.635 9.456 1.00 22.43 O ATOM 32 CG2 THR A 5 18.817 12.038 9.749 1.00 20.59 C ATOM 33 N PHE A 6 17.570 11.685 6.771 1.00 17.16 N ATOM 34 CA PHE A 6 16.219 11.691 6.196 1.00 18.00 C ATOM 35 C PHE A 6 15.277 10.891 7.072 1.00 18.44 C ATOM 36 O PHE A 6 15.706 9.976 7.751 1.00 19.31 O ATOM 37 CB PHE A 6 16.222 11.038 4.820 1.00 18.96 C ATOM 38 CG PHE A 6 17.102 11.720 3.856 1.00 18.53 C ATOM 39 CD1 PHE A 6 18.460 11.409 3.840 1.00 19.17 C ATOM 40 CD2 PHE A 6 16.606 12.683 2.970 1.00 20.58 C ATOM 41 CE1 PHE A 6 19.305 12.036 2.947 1.00 20.28 C ATOM 42 CE2 PHE A 6 17.477 13.329 2.083 1.00 20.49 C ATOM 43 CZ PHE A 6 18.835 12.997 2.105 1.00 18.85 C ATOM 44 N GLU A 7 14.000 11.235 7.054 1.00 19.84 N ATOM 45 CA GLU A 7 13.026 10.478 7.815 1.00 20.66 C ATOM 46 C GLU A 7 12.367 9.406 6.945 1.00 18.60 C ATOM 47 O GLU A 7 11.979 9.660 5.773 1.00 19.08 O ATOM 48 CB GLU A 7 11.936 11.421 8.358 1.00 22.17 C ATOM 49 CG GLU A 7 11.461 11.020 9.746 1.00 31.05 C ATOM 50 CD GLU A 7 10.354 11.905 10.307 1.00 38.00 C ATOM 51 OE1 GLU A 7 10.102 13.015 9.752 1.00 42.43 O ATOM 52 OE2 GLU A 7 9.709 11.470 11.301 1.00 42.74 O ATOM 53 N PHE A 8 12.185 8.203 7.495 1.00 17.76 N ATOM 54 CA PHE A 8 11.420 7.180 6.764 1.00 16.56 C ATOM 55 C PHE A 8 9.939 7.518 6.766 1.00 16.37 C ATOM 56 O PHE A 8 9.451 8.139 7.723 1.00 17.80 O ATOM 57 CB PHE A 8 11.434 5.827 7.525 1.00 15.52 C ATOM 58 CG PHE A 8 12.691 5.033 7.334 1.00 14.96 C ATOM 59 CD1 PHE A 8 13.717 5.136 8.248 1.00 15.44 C ATOM 60 CD2 PHE A 8 12.796 4.137 6.278 1.00 14.37 C ATOM 61 CE1 PHE A 8 14.905 4.424 8.076 1.00 15.27 C ATOM 62 CE2 PHE A 8 13.944 3.411 6.109 1.00 16.20 C ATOM 63 CZ PHE A 8 14.987 3.529 7.018 1.00 14.18 C ATOM 64 N GLN A 9 9.228 7.080 5.743 1.00 17.29 N ATOM 65 CA GLN A 9 7.761 7.073 5.824 1.00 18.07 C ATOM 66 C GLN A 9 7.390 6.260 7.074 1.00 18.98 C ATOM 67 O GLN A 9 7.955 5.180 7.321 1.00 17.09 O ATOM 68 CB GLN A 9 7.110 6.478 4.582 1.00 19.54 C ATOM 69 CG GLN A 9 7.297 7.306 3.341 1.00 25.55 C ATOM 70 CD GLN A 9 6.715 8.695 3.500 1.00 36.08 C ATOM 71 OE1 GLN A 9 5.859 8.919 4.358 1.00 40.04 O ATOM 72 NE2 GLN A 9 7.172 9.632 2.670 1.00 39.83 N ATOM 73 N ALA A 10 6.427 6.741 7.875 1.00 18.03 N ATOM 74 CA ALA A 10 6.229 6.140 9.195 1.00 18.26 C ATOM 75 C ALA A 10 5.871 4.663 9.159 1.00 16.53 C ATOM 76 O ALA A 10 6.261 3.930 10.041 1.00 15.94 O ATOM 77 CB ALA A 10 5.146 6.919 9.974 1.00 18.39 C ATOM 78 N GLU A 11 5.145 4.237 8.138 1.00 16.79 N ATOM 79 CA GLU A 11 4.766 2.820 8.081 1.00 17.31 C ATOM 80 C GLU A 11 5.978 1.910 7.879 1.00 16.34 C ATOM 81 O GLU A 11 5.963 0.767 8.326 1.00 15.78 O ATOM 82 CB GLU A 11 3.729 2.560 6.986 1.00 17.95 C ATOM 83 CG GLU A 11 2.392 3.203 7.340 1.00 22.32 C ATOM 84 CD GLU A 11 2.314 4.667 6.971 1.00 29.15 C ATOM 85 OE1 GLU A 11 3.332 5.274 6.491 1.00 28.32 O ATOM 86 OE2 GLU A 11 1.201 5.223 7.169 1.00 32.62 O ATOM 87 N ILE A 12 7.024 2.412 7.229 1.00 16.67 N ATOM 88 CA ILE A 12 8.258 1.607 7.104 1.00 15.50 C ATOM 89 C ILE A 12 8.935 1.466 8.464 1.00 14.39 C ATOM 90 O ILE A 12 9.411 0.400 8.826 1.00 14.97 O ATOM 91 CB ILE A 12 9.201 2.230 6.076 1.00 15.30 C ATOM 92 CG1 ILE A 12 8.477 2.372 4.738 1.00 16.65 C ATOM 93 CG2 ILE A 12 10.476 1.327 5.877 1.00 16.74 C ATOM 94 CD1 ILE A 12 9.313 3.089 3.666 1.00 16.80 C ATOM 95 N THR A 13 8.939 2.548 9.250 1.00 13.97 N ATOM 96 CA THR A 13 9.480 2.509 10.589 1.00 14.12 C ATOM 97 C THR A 13 8.682 1.506 11.448 1.00 14.40 C ATOM 98 O THR A 13 9.270 0.766 12.236 1.00 14.26 O ATOM 99 CB THR A 13 9.360 3.911 11.197 1.00 14.71 C ATOM 100 OG1 THR A 13 10.101 4.812 10.346 1.00 17.51 O ATOM 101 CG2 THR A 13 10.061 3.970 12.538 1.00 15.96 C ATOM 102 N GLN A 14 7.369 1.489 11.288 1.00 14.19 N ATOM 103 CA GLN A 14 6.547 0.490 11.976 1.00 14.43 C ATOM 104 C GLN A 14 6.941 -0.922 11.575 1.00 14.53 C ATOM 105 O GLN A 14 7.160 -1.773 12.431 1.00 14.71 O ATOM 106 CB GLN A 14 5.073 0.698 11.679 1.00 14.06 C ATOM 107 CG GLN A 14 4.571 2.042 12.200 1.00 16.56 C ATOM 108 CD GLN A 14 3.131 2.332 11.834 1.00 20.58 C ATOM 109 OE1 GLN A 14 2.411 1.446 11.349 1.00 22.79 O ATOM 110 NE2 GLN A 14 2.693 3.561 12.081 1.00 21.20 N ATOM 111 N LEU A 15 7.094 -1.151 10.275 1.00 15.20 N ATOM 112 CA LEU A 15 7.469 -2.503 9.837 1.00 15.41 C ATOM 113 C LEU A 15 8.837 -2.917 10.374 1.00 15.73 C ATOM 114 O LEU A 15 9.035 -4.039 10.865 1.00 14.31 O ATOM 115 CB LEU A 15 7.370 -2.639 8.311 1.00 16.07 C ATOM 116 CG LEU A 15 7.710 -4.099 7.905 1.00 17.62 C ATOM 117 CD1 LEU A 15 6.805 -5.170 8.555 1.00 19.96 C ATOM 118 CD2 LEU A 15 7.693 -4.207 6.394 1.00 22.75 C ATOM 119 N MET A 16 9.801 -2.009 10.301 1.00 14.02 N ATOM 120 CA MET A 16 11.142 -2.365 10.806 1.00 14.70 C ATOM 121 C MET A 16 11.125 -2.749 12.270 1.00 14.80 C ATOM 122 O MET A 16 11.873 -3.626 12.697 1.00 16.45 O ATOM 123 CB MET A 16 12.140 -1.228 10.586 1.00 15.72 C ATOM 124 CG MET A 16 12.434 -1.027 9.103 1.00 15.71 C ATOM 125 SD MET A 16 13.743 0.161 8.798 1.00 14.62 S ATOM 126 CE MET A 16 13.037 1.668 9.384 1.00 17.53 C ATOM 127 N SER A 17 10.343 -2.009 13.045 1.00 15.41 N ATOM 128 CA SER A 17 10.215 -2.248 14.485 1.00 16.73 C ATOM 129 C SER A 17 9.645 -3.639 14.738 1.00 16.08 C ATOM 130 O SER A 17 10.178 -4.379 15.584 1.00 18.39 O ATOM 131 CB SER A 17 9.303 -1.172 15.113 1.00 17.08 C ATOM 132 OG SER A 17 9.231 -1.370 16.546 1.00 20.25 O ATOM 133 N LEU A 18 8.603 -4.007 14.009 1.00 17.24 N ATOM 134 CA LEU A 18 7.993 -5.343 14.145 1.00 17.40 C ATOM 135 C LEU A 18 8.999 -6.439 13.809 1.00 17.57 C ATOM 136 O LEU A 18 9.127 -7.436 14.524 1.00 19.19 O ATOM 137 CB LEU A 18 6.757 -5.487 13.252 1.00 18.58 C ATOM 138 CG LEU A 18 5.539 -4.634 13.612 1.00 21.34 C ATOM 139 CD1 LEU A 18 4.408 -4.815 12.618 1.00 23.10 C ATOM 140 CD2 LEU A 18 5.097 -5.086 15.037 1.00 23.09 C ATOM 141 N ILE A 19 9.801 -6.213 12.768 1.00 16.55 N ATOM 142 CA ILE A 19 10.680 -7.277 12.291 1.00 15.73 C ATOM 143 C ILE A 19 11.904 -7.436 13.176 1.00 16.36 C ATOM 144 O ILE A 19 12.377 -8.523 13.422 1.00 16.63 O ATOM 145 CB ILE A 19 11.133 -6.976 10.845 1.00 14.90 C ATOM 146 CG1 ILE A 19 9.936 -7.046 9.942 1.00 14.03 C ATOM 147 CG2 ILE A 19 12.211 -7.997 10.371 1.00 16.14 C ATOM 148 CD1 ILE A 19 10.251 -6.792 8.496 1.00 19.55 C ATOM 149 N ILE A 20 12.510 -6.307 13.585 1.00 16.30 N ATOM 150 CA ILE A 20 13.705 -6.384 14.410 1.00 16.06 C ATOM 151 C ILE A 20 13.364 -7.000 15.756 1.00 17.71 C ATOM 152 O ILE A 20 14.210 -7.635 16.362 1.00 18.45 O ATOM 153 CB ILE A 20 14.446 -5.021 14.561 1.00 17.18 C ATOM 154 CG1 ILE A 20 15.902 -5.254 14.988 1.00 16.16 C ATOM 155 CG2 ILE A 20 13.671 -4.065 15.543 1.00 18.19 C ATOM 156 CD1 ILE A 20 16.736 -3.966 15.023 1.00 19.08 C ATOM 157 N ASN A 21 12.111 -6.837 16.183 1.00 18.15 N ATOM 158 CA ASN A 21 11.735 -7.389 17.489 1.00 20.14 C ATOM 159 C ASN A 21 11.055 -8.749 17.473 1.00 21.10 C ATOM 160 O ASN A 21 10.930 -9.372 18.538 1.00 22.19 O ATOM 161 CB ASN A 21 10.848 -6.376 18.245 1.00 19.88 C ATOM 162 CG ASN A 21 11.635 -5.173 18.763 1.00 19.89 C ATOM 163 OD1 ASN A 21 12.554 -5.326 19.584 1.00 26.86 O ATOM 164 ND2 ASN A 21 11.325 -3.977 18.255 1.00 21.02 N ATOM 165 N THR A 22 10.597 -9.236 16.315 1.00 20.09 N ATOM 166 CA THR A 22 9.792 -10.438 16.337 1.00 20.83 C ATOM 167 C THR A 22 10.554 -11.666 16.755 1.00 21.40 C ATOM 168 O THR A 22 11.758 -11.820 16.475 1.00 20.89 O ATOM 169 CB THR A 22 9.130 -10.655 15.002 1.00 21.58 C ATOM 170 OG1 THR A 22 8.375 -11.870 15.047 1.00 21.08 O ATOM 171 CG2 THR A 22 10.194 -10.923 13.921 1.00 20.57 C ATOM 172 N VAL A 23 9.836 -12.584 17.401 1.00 21.53 N ATOM 173 CA VAL A 23 10.480 -13.833 17.786 1.00 22.16 C ATOM 174 C VAL A 23 10.234 -14.961 16.787 1.00 22.54 C ATOM 175 O VAL A 23 10.479 -16.119 17.085 1.00 22.96 O ATOM 176 CB VAL A 23 10.118 -14.284 19.247 1.00 22.59 C ATOM 177 CG1 VAL A 23 10.649 -13.294 20.267 1.00 23.39 C ATOM 178 CG2 VAL A 23 8.631 -14.518 19.381 1.00 24.37 C ATOM 179 N TYR A 24 9.757 -14.616 15.591 1.00 21.82 N ATOM 180 CA TYR A 24 9.594 -15.556 14.468 1.00 22.38 C ATOM 181 C TYR A 24 10.749 -16.555 14.358 1.00 22.68 C ATOM 182 O TYR A 24 11.929 -16.165 14.391 1.00 24.00 O ATOM 183 CB TYR A 24 9.524 -14.715 13.173 1.00 22.24 C ATOM 184 CG TYR A 24 9.316 -15.501 11.903 1.00 22.63 C ATOM 185 CD1 TYR A 24 8.089 -16.162 11.643 1.00 22.57 C ATOM 186 CD2 TYR A 24 10.332 -15.603 10.963 1.00 20.99 C ATOM 187 CE1 TYR A 24 7.899 -16.860 10.471 1.00 21.70 C ATOM 188 CE2 TYR A 24 10.157 -16.316 9.787 1.00 23.00 C ATOM 189 CZ TYR A 24 8.944 -16.941 9.548 1.00 23.48 C ATOM 190 OH TYR A 24 8.760 -17.642 8.390 1.00 23.07 O ATOM 191 N SER A 25 10.431 -17.835 14.208 1.00 23.15 N ATOM 192 CA SER A 25 11.454 -18.855 14.244 1.00 25.14 C ATOM 193 C SER A 25 12.383 -18.922 13.024 1.00 24.97 C ATOM 194 O SER A 25 13.599 -19.047 13.167 1.00 27.74 O ATOM 195 CB SER A 25 10.823 -20.237 14.485 1.00 25.30 C ATOM 196 OG SER A 25 10.036 -20.633 13.378 1.00 31.33 O ATOM 197 N ASN A 26 11.798 -18.803 11.838 1.00 23.87 N ATOM 198 CA ASN A 26 12.496 -19.085 10.593 1.00 22.96 C ATOM 199 C ASN A 26 13.247 -17.877 10.025 1.00 21.23 C ATOM 200 O ASN A 26 12.992 -17.475 8.889 1.00 21.66 O ATOM 201 CB ASN A 26 11.544 -19.663 9.550 1.00 24.64 C ATOM 202 CG ASN A 26 12.270 -20.539 8.497 1.00 28.78 C ATOM 203 OD1 ASN A 26 13.306 -21.164 8.787 1.00 38.08 O ATOM 204 ND2 ASN A 26 11.720 -20.593 7.290 1.00 36.26 N ATOM 205 N LYS A 27 14.176 -17.357 10.812 1.00 20.46 N ATOM 206 CA LYS A 27 14.887 -16.108 10.416 1.00 19.75 C ATOM 207 C LYS A 27 15.671 -16.267 9.129 1.00 19.93 C ATOM 208 O LYS A 27 15.891 -15.253 8.412 1.00 17.92 O ATOM 209 CB LYS A 27 15.768 -15.579 11.552 1.00 19.28 C ATOM 210 CG LYS A 27 14.969 -15.026 12.730 1.00 22.26 C ATOM 211 CD LYS A 27 15.824 -14.970 13.974 1.00 27.88 C ATOM 212 CE LYS A 27 15.074 -14.344 15.172 1.00 32.92 C ATOM 213 NZ LYS A 27 15.235 -12.881 15.161 1.00 27.85 N ATOM 214 N GLU A 28 16.016 -17.502 8.765 1.00 19.23 N ATOM 215 CA GLU A 28 16.848 -17.692 7.578 1.00 18.59 C ATOM 216 C GLU A 28 16.212 -17.196 6.255 1.00 19.16 C ATOM 217 O GLU A 28 16.907 -17.053 5.241 1.00 18.42 O ATOM 218 CB GLU A 28 17.256 -19.175 7.445 1.00 19.75 C ATOM 219 CG GLU A 28 16.147 -20.029 6.898 1.00 21.64 C ATOM 220 CD GLU A 28 16.495 -21.511 6.935 1.00 27.68 C ATOM 221 OE1 GLU A 28 17.064 -21.954 7.950 1.00 31.50 O ATOM 222 OE2 GLU A 28 16.189 -22.218 5.965 1.00 29.17 O ATOM 223 N ILE A 29 14.903 -16.924 6.253 1.00 18.52 N ATOM 224 CA ILE A 29 14.232 -16.474 5.048 1.00 19.25 C ATOM 225 C ILE A 29 14.761 -15.121 4.554 1.00 16.72 C ATOM 226 O ILE A 29 14.521 -14.730 3.416 1.00 17.64 O ATOM 227 CB ILE A 29 12.685 -16.398 5.258 1.00 21.15 C ATOM 228 CG1 ILE A 29 12.322 -15.367 6.301 1.00 23.38 C ATOM 229 CG2 ILE A 29 12.130 -17.761 5.592 1.00 24.43 C ATOM 230 CD1 ILE A 29 11.831 -14.115 5.693 1.00 30.18 C ATOM 231 N PHE A 30 15.473 -14.416 5.409 1.00 15.77 N ATOM 232 CA PHE A 30 15.999 -13.123 4.971 1.00 15.38 C ATOM 233 C PHE A 30 16.868 -13.300 3.733 1.00 14.93 C ATOM 234 O PHE A 30 16.874 -12.453 2.841 1.00 14.87 O ATOM 235 CB PHE A 30 16.804 -12.414 6.068 1.00 14.77 C ATOM 236 CG PHE A 30 18.227 -12.889 6.186 1.00 15.59 C ATOM 237 CD1 PHE A 30 19.266 -12.200 5.563 1.00 15.68 C ATOM 238 CD2 PHE A 30 18.526 -14.040 6.899 1.00 16.71 C ATOM 239 CE1 PHE A 30 20.573 -12.675 5.658 1.00 15.08 C ATOM 240 CE2 PHE A 30 19.818 -14.529 6.997 1.00 17.37 C ATOM 241 CZ PHE A 30 20.876 -13.831 6.366 1.00 16.40 C ATOM 242 N LEU A 31 17.628 -14.392 3.701 1.00 14.51 N ATOM 243 CA LEU A 31 18.619 -14.550 2.601 1.00 14.88 C ATOM 244 C LEU A 31 17.935 -14.729 1.252 1.00 15.81 C ATOM 245 O LEU A 31 18.366 -14.182 0.246 1.00 15.41 O ATOM 246 CB LEU A 31 19.615 -15.677 2.935 1.00 14.46 C ATOM 247 CG LEU A 31 20.798 -15.661 1.967 1.00 16.52 C ATOM 248 CD1 LEU A 31 21.592 -14.382 2.076 1.00 18.11 C ATOM 249 CD2 LEU A 31 21.707 -16.842 2.335 1.00 19.15 C ATOM 250 N ARG A 32 16.866 -15.510 1.217 1.00 14.66 N ATOM 251 CA ARG A 32 16.105 -15.591 -0.015 1.00 15.94 C ATOM 252 C ARG A 32 15.599 -14.266 -0.527 1.00 15.08 C ATOM 253 O ARG A 32 15.628 -13.961 -1.707 1.00 14.59 O ATOM 254 CB ARG A 32 14.931 -16.544 0.192 1.00 17.02 C ATOM 255 CG ARG A 32 14.060 -16.647 -1.006 1.00 21.60 C ATOM 256 N GLU A 33 15.102 -13.432 0.375 1.00 14.07 N ATOM 257 CA GLU A 33 14.563 -12.176 -0.092 1.00 13.86 C ATOM 258 C GLU A 33 15.666 -11.268 -0.622 1.00 12.47 C ATOM 259 O GLU A 33 15.479 -10.556 -1.570 1.00 14.44 O ATOM 260 CB GLU A 33 13.825 -11.436 1.033 1.00 14.67 C ATOM 261 CG GLU A 33 12.642 -12.229 1.563 1.00 17.13 C ATOM 262 CD GLU A 33 11.572 -12.404 0.510 1.00 20.17 C ATOM 263 OE1 GLU A 33 11.467 -11.604 -0.413 1.00 20.09 O ATOM 264 OE2 GLU A 33 10.889 -13.467 0.567 1.00 24.99 O ATOM 265 N LEU A 34 16.824 -11.287 0.015 1.00 13.39 N ATOM 266 CA LEU A 34 17.891 -10.392 -0.456 1.00 12.89 C ATOM 267 C LEU A 34 18.503 -10.935 -1.771 1.00 12.50 C ATOM 268 O LEU A 34 18.916 -10.154 -2.649 1.00 12.65 O ATOM 269 CB LEU A 34 18.940 -10.227 0.644 1.00 12.93 C ATOM 270 CG LEU A 34 18.466 -9.646 1.990 1.00 12.89 C ATOM 271 CD1 LEU A 34 19.716 -9.397 2.845 1.00 14.02 C ATOM 272 CD2 LEU A 34 17.688 -8.346 1.788 1.00 13.51 C ATOM 273 N ILE A 35 18.556 -12.262 -1.921 1.00 12.47 N ATOM 274 CA ILE A 35 19.039 -12.848 -3.183 1.00 12.88 C ATOM 275 C ILE A 35 18.034 -12.523 -4.304 1.00 13.04 C ATOM 276 O ILE A 35 18.399 -12.159 -5.407 1.00 13.57 O ATOM 277 CB ILE A 35 19.287 -14.370 -3.030 1.00 12.90 C ATOM 278 CG1 ILE A 35 20.522 -14.589 -2.177 1.00 13.18 C ATOM 279 CG2 ILE A 35 19.378 -15.023 -4.483 1.00 12.63 C ATOM 280 CD1 ILE A 35 20.810 -16.071 -1.854 1.00 16.31 C ATOM 281 N SER A 36 16.764 -12.596 -3.974 1.00 14.35 N ATOM 282 CA SER A 36 15.734 -12.221 -4.937 1.00 13.99 C ATOM 283 C SER A 36 15.874 -10.755 -5.382 1.00 14.51 C ATOM 284 O SER A 36 15.782 -10.423 -6.584 1.00 14.23 O ATOM 285 CB SER A 36 14.358 -12.432 -4.293 1.00 16.17 C ATOM 286 OG SER A 36 13.375 -12.084 -5.239 1.00 21.10 O ATOM 287 N ASN A 37 16.092 -9.845 -4.422 1.00 13.05 N ATOM 288 CA ASN A 37 16.265 -8.459 -4.810 1.00 12.99 C ATOM 289 C ASN A 37 17.497 -8.223 -5.690 1.00 13.12 C ATOM 290 O ASN A 37 17.456 -7.431 -6.621 1.00 13.24 O ATOM 291 CB ASN A 37 16.388 -7.582 -3.559 1.00 13.52 C ATOM 292 CG ASN A 37 15.069 -7.371 -2.840 1.00 17.86 C ATOM 293 OD1 ASN A 37 15.033 -6.613 -1.866 1.00 23.35 O ATOM 294 ND2 ASN A 37 14.028 -8.001 -3.271 1.00 16.49 N ATOM 295 N ALA A 38 18.584 -8.907 -5.326 1.00 12.77 N ATOM 296 CA ALA A 38 19.815 -8.876 -6.125 1.00 13.02 C ATOM 297 C ALA A 38 19.535 -9.340 -7.553 1.00 12.05 C ATOM 298 O ALA A 38 19.988 -8.695 -8.507 1.00 12.25 O ATOM 299 CB ALA A 38 20.902 -9.742 -5.476 1.00 13.69 C ATOM 300 N SER A 39 18.824 -10.448 -7.656 1.00 13.06 N ATOM 301 CA SER A 39 18.500 -11.003 -8.988 1.00 12.93 C ATOM 302 C SER A 39 17.668 -10.003 -9.769 1.00 13.20 C ATOM 303 O SER A 39 17.896 -9.778 -10.955 1.00 13.96 O ATOM 304 CB SER A 39 17.768 -12.340 -8.805 1.00 14.53 C ATOM 305 OG SER A 39 17.439 -12.927 -10.093 1.00 17.61 O ATOM 306 N ASP A 40 16.714 -9.364 -9.110 1.00 13.40 N ATOM 307 CA ASP A 40 15.893 -8.381 -9.796 1.00 14.26 C ATOM 308 C ASP A 40 16.747 -7.228 -10.322 1.00 14.50 C ATOM 309 O ASP A 40 16.553 -6.715 -11.410 1.00 13.85 O ATOM 310 CB ASP A 40 14.834 -7.840 -8.854 1.00 16.11 C ATOM 311 CG ASP A 40 13.750 -8.871 -8.539 1.00 20.50 C ATOM 312 OD1 ASP A 40 13.700 -9.955 -9.196 1.00 26.06 O ATOM 313 OD2 ASP A 40 12.878 -8.665 -7.660 1.00 26.67 O ATOM 314 N ALA A 41 17.719 -6.761 -9.513 1.00 12.23 N ATOM 315 CA ALA A 41 18.537 -5.647 -9.954 1.00 11.86 C ATOM 316 C ALA A 41 19.427 -6.029 -11.116 1.00 12.19 C ATOM 317 O ALA A 41 19.742 -5.187 -11.971 1.00 12.46 O ATOM 318 CB ALA A 41 19.432 -5.156 -8.748 1.00 13.68 C ATOM 319 N LEU A 42 19.865 -7.290 -11.128 1.00 11.91 N ATOM 320 CA LEU A 42 20.674 -7.797 -12.243 1.00 11.90 C ATOM 321 C LEU A 42 19.749 -7.920 -13.504 1.00 11.89 C ATOM 322 O LEU A 42 20.170 -7.626 -14.625 1.00 13.86 O ATOM 323 CB LEU A 42 21.217 -9.177 -11.867 1.00 11.79 C ATOM 324 CG LEU A 42 22.425 -9.047 -10.930 1.00 10.59 C ATOM 325 CD1 LEU A 42 22.603 -10.336 -10.157 1.00 10.82 C ATOM 326 CD2 LEU A 42 23.702 -8.749 -11.716 1.00 12.07 C ATOM 327 N ASP A 43 18.505 -8.314 -13.300 1.00 12.39 N ATOM 328 CA ASP A 43 17.550 -8.346 -14.413 1.00 14.12 C ATOM 329 C ASP A 43 17.472 -6.988 -15.010 1.00 14.73 C ATOM 330 O ASP A 43 17.430 -6.823 -16.223 1.00 14.72 O ATOM 331 CB ASP A 43 16.183 -8.851 -13.984 1.00 14.76 C ATOM 332 CG ASP A 43 16.116 -10.337 -13.724 1.00 15.12 C ATOM 333 OD1 ASP A 43 15.049 -10.695 -13.145 1.00 19.52 O ATOM 334 OD2 ASP A 43 17.016 -11.183 -14.007 1.00 16.95 O ATOM 335 N LYS A 44 17.408 -5.979 -14.150 1.00 13.53 N ATOM 336 CA LYS A 44 17.230 -4.615 -14.651 1.00 14.22 C ATOM 337 C LYS A 44 18.400 -4.117 -15.496 1.00 14.37 C ATOM 338 O LYS A 44 18.200 -3.518 -16.552 1.00 14.29 O ATOM 339 CB LYS A 44 16.846 -3.598 -13.544 1.00 14.30 C ATOM 340 CG LYS A 44 15.539 -3.893 -12.801 1.00 20.28 C ATOM 341 CD LYS A 44 14.353 -4.070 -13.683 1.00 29.20 C ATOM 342 CE LYS A 44 13.036 -3.998 -12.860 1.00 34.00 C ATOM 343 NZ LYS A 44 12.369 -5.335 -12.692 1.00 35.02 N ATOM 344 N ILE A 45 19.626 -4.362 -15.059 1.00 12.95 N ATOM 345 CA ILE A 45 20.735 -3.896 -15.872 1.00 14.59 C ATOM 346 C ILE A 45 20.852 -4.701 -17.175 1.00 14.56 C ATOM 347 O ILE A 45 21.233 -4.101 -18.198 1.00 15.02 O ATOM 348 CB ILE A 45 22.056 -3.855 -15.090 1.00 14.32 C ATOM 349 CG1 ILE A 45 23.162 -3.181 -15.927 1.00 15.55 C ATOM 350 CG2 ILE A 45 22.423 -5.236 -14.629 1.00 16.09 C ATOM 351 CD1 ILE A 45 22.910 -1.689 -16.070 1.00 18.20 C ATOM 352 N ARG A 46 20.508 -5.989 -17.141 1.00 14.66 N ATOM 353 CA ARG A 46 20.579 -6.808 -18.364 1.00 16.20 C ATOM 354 C ARG A 46 19.556 -6.247 -19.347 1.00 15.98 C ATOM 355 O ARG A 46 19.843 -6.064 -20.535 1.00 16.23 O ATOM 356 CB ARG A 46 20.245 -8.253 -18.050 1.00 17.46 C ATOM 357 CG ARG A 46 20.530 -9.253 -19.145 1.00 24.26 C ATOM 358 CD ARG A 46 20.930 -10.638 -18.524 1.00 28.56 C ATOM 359 NE ARG A 46 19.873 -11.086 -17.618 1.00 33.89 N ATOM 360 CZ ARG A 46 18.778 -11.691 -18.032 1.00 33.07 C ATOM 361 NH1 ARG A 46 18.636 -11.951 -19.332 1.00 35.89 N ATOM 362 NH2 ARG A 46 17.837 -12.064 -17.170 1.00 33.67 N ATOM 363 N TYR A 47 18.358 -5.990 -18.855 1.00 14.80 N ATOM 364 CA TYR A 47 17.297 -5.490 -19.747 1.00 14.96 C ATOM 365 C TYR A 47 17.651 -4.098 -20.298 1.00 14.96 C ATOM 366 O TYR A 47 17.504 -3.809 -21.513 1.00 16.15 O ATOM 367 CB TYR A 47 15.953 -5.448 -19.003 1.00 13.85 C ATOM 368 CG TYR A 47 14.805 -5.177 -19.933 1.00 14.55 C ATOM 369 CD1 TYR A 47 14.095 -6.205 -20.490 1.00 17.13 C ATOM 370 CD2 TYR A 47 14.443 -3.880 -20.181 1.00 16.54 C ATOM 371 CE1 TYR A 47 13.040 -5.905 -21.377 1.00 20.17 C ATOM 372 CE2 TYR A 47 13.412 -3.580 -21.027 1.00 20.37 C ATOM 373 CZ TYR A 47 12.735 -4.594 -21.596 1.00 19.46 C ATOM 374 OH TYR A 47 11.705 -4.176 -22.427 1.00 27.15 O ATOM 375 N LYS A 48 18.162 -3.216 -19.436 1.00 13.95 N ATOM 376 CA LYS A 48 18.519 -1.879 -19.871 1.00 14.91 C ATOM 377 C LYS A 48 19.582 -1.965 -20.949 1.00 15.86 C ATOM 378 O LYS A 48 19.540 -1.200 -21.937 1.00 17.33 O ATOM 379 CB LYS A 48 19.000 -1.017 -18.683 1.00 16.15 C ATOM 380 CG LYS A 48 19.371 0.429 -19.050 1.00 17.06 C ATOM 381 CD LYS A 48 19.813 1.160 -17.800 1.00 23.42 C ATOM 382 CE LYS A 48 19.836 2.668 -17.965 1.00 28.37 C ATOM 383 NZ LYS A 48 19.344 3.214 -16.637 1.00 30.37 N ATOM 384 N SER A 49 20.498 -2.915 -20.810 1.00 15.95 N ATOM 385 CA SER A 49 21.632 -3.040 -21.710 1.00 16.76 C ATOM 386 C SER A 49 21.223 -3.556 -23.104 1.00 16.96 C ATOM 387 O SER A 49 22.049 -3.487 -24.018 1.00 18.21 O ATOM 388 CB SER A 49 22.712 -3.971 -21.115 1.00 19.00 C ATOM 389 OG SER A 49 22.367 -5.349 -21.248 1.00 24.42 O ATOM 390 N LEU A 50 20.009 -4.083 -23.243 1.00 17.32 N ATOM 391 CA LEU A 50 19.537 -4.568 -24.555 1.00 17.68 C ATOM 392 C LEU A 50 19.563 -3.447 -25.555 1.00 18.56 C ATOM 393 O LEU A 50 19.818 -3.659 -26.718 1.00 19.54 O ATOM 394 CB LEU A 50 18.087 -5.058 -24.466 1.00 17.57 C ATOM 395 CG LEU A 50 17.910 -6.349 -23.712 1.00 17.37 C ATOM 396 CD1 LEU A 50 16.418 -6.638 -23.599 1.00 21.58 C ATOM 397 CD2 LEU A 50 18.650 -7.488 -24.415 1.00 22.19 C ATOM 398 N SER A 51 19.301 -2.242 -25.088 1.00 18.17 N ATOM 399 CA SER A 51 19.308 -1.058 -25.958 1.00 18.25 C ATOM 400 C SER A 51 20.368 -0.026 -25.629 1.00 20.34 C ATOM 401 O SER A 51 20.533 0.979 -26.326 1.00 21.20 O ATOM 402 CB SER A 51 17.944 -0.380 -25.935 1.00 20.69 C ATOM 403 OG SER A 51 16.959 -1.243 -26.460 1.00 22.34 O ATOM 404 N ASP A 52 21.211 -0.319 -24.638 1.00 20.30 N ATOM 405 CA ASP A 52 22.284 0.598 -24.236 1.00 20.67 C ATOM 406 C ASP A 52 23.417 -0.314 -23.686 1.00 21.11 C ATOM 407 O ASP A 52 23.678 -0.378 -22.482 1.00 20.46 O ATOM 408 CB ASP A 52 21.731 1.542 -23.151 1.00 21.13 C ATOM 409 CG ASP A 52 22.635 2.735 -22.863 1.00 21.46 C ATOM 410 OD1 ASP A 52 23.785 2.778 -23.330 1.00 23.40 O ATOM 411 OD2 ASP A 52 22.241 3.669 -22.139 1.00 26.89 O ATOM 412 N PRO A 53 24.032 -1.080 -24.553 1.00 20.60 N ATOM 413 CA PRO A 53 25.077 -2.043 -24.203 1.00 20.82 C ATOM 414 C PRO A 53 26.261 -1.471 -23.397 1.00 21.27 C ATOM 415 O PRO A 53 26.871 -2.219 -22.591 1.00 21.38 O ATOM 416 CB PRO A 53 25.542 -2.563 -25.572 1.00 22.97 C ATOM 417 CG PRO A 53 24.879 -1.646 -26.583 1.00 22.00 C ATOM 418 CD PRO A 53 23.654 -1.169 -25.972 1.00 21.84 C ATOM 419 N LYS A 54 26.569 -0.193 -23.565 1.00 21.87 N ATOM 420 CA LYS A 54 27.712 0.367 -22.853 1.00 21.49 C ATOM 421 C LYS A 54 27.440 0.332 -21.349 1.00 21.44 C ATOM 422 O LYS A 54 28.371 0.388 -20.528 1.00 20.69 O ATOM 423 CB LYS A 54 27.965 1.803 -23.276 1.00 22.79 C ATOM 424 CG LYS A 54 29.345 2.276 -22.872 1.00 28.00 C ATOM 425 N GLN A 55 26.180 0.202 -20.987 1.00 19.49 N ATOM 426 CA GLN A 55 25.841 0.214 -19.554 1.00 18.45 C ATOM 427 C GLN A 55 26.484 -0.922 -18.797 1.00 18.80 C ATOM 428 O GLN A 55 26.635 -0.824 -17.555 1.00 17.82 O ATOM 429 CB GLN A 55 24.329 0.202 -19.313 1.00 18.52 C ATOM 430 CG GLN A 55 23.595 1.399 -19.882 1.00 19.34 C ATOM 431 CD GLN A 55 23.429 2.547 -18.902 1.00 25.19 C ATOM 432 OE1 GLN A 55 23.674 2.392 -17.696 1.00 23.31 O ATOM 433 NE2 GLN A 55 22.977 3.692 -19.397 1.00 23.87 N ATOM 434 N LEU A 56 26.775 -2.016 -19.475 1.00 17.43 N ATOM 435 CA LEU A 56 27.393 -3.154 -18.815 1.00 17.45 C ATOM 436 C LEU A 56 28.878 -2.947 -18.575 1.00 18.38 C ATOM 437 O LEU A 56 29.459 -3.657 -17.754 1.00 19.36 O ATOM 438 CB LEU A 56 27.215 -4.428 -19.654 1.00 18.46 C ATOM 439 CG LEU A 56 25.807 -5.000 -19.689 1.00 18.40 C ATOM 440 CD1 LEU A 56 25.687 -6.068 -20.820 1.00 22.89 C ATOM 441 CD2 LEU A 56 25.490 -5.626 -18.309 1.00 22.83 C ATOM 442 N GLU A 57 29.500 -2.003 -19.271 1.00 19.23 N ATOM 443 CA GLU A 57 30.970 -1.890 -19.240 1.00 20.61 C ATOM 444 C GLU A 57 31.592 -1.561 -17.889 1.00 20.46 C ATOM 445 O GLU A 57 32.759 -1.873 -17.658 1.00 20.98 O ATOM 446 CB GLU A 57 31.460 -0.893 -20.293 1.00 22.20 C ATOM 447 CG GLU A 57 31.153 -1.356 -21.697 1.00 25.86 C ATOM 448 CD GLU A 57 31.726 -0.397 -22.740 1.00 31.79 C ATOM 449 OE1 GLU A 57 32.596 0.426 -22.388 1.00 35.41 O ATOM 450 OE2 GLU A 57 31.303 -0.472 -23.912 1.00 36.24 O ATOM 451 N THR A 58 30.803 -0.948 -17.009 1.00 18.87 N ATOM 452 CA THR A 58 31.323 -0.612 -15.687 1.00 18.57 C ATOM 453 C THR A 58 31.541 -1.826 -14.833 1.00 17.97 C ATOM 454 O THR A 58 32.281 -1.768 -13.862 1.00 18.08 O ATOM 455 CB THR A 58 30.380 0.313 -14.956 1.00 16.87 C ATOM 456 OG1 THR A 58 29.037 -0.104 -15.221 1.00 17.30 O ATOM 457 CG2 THR A 58 30.460 1.693 -15.554 1.00 19.24 C ATOM 458 N GLU A 59 30.948 -2.952 -15.217 1.00 18.08 N ATOM 459 CA GLU A 59 31.133 -4.223 -14.512 1.00 17.74 C ATOM 460 C GLU A 59 30.465 -5.278 -15.358 1.00 18.87 C ATOM 461 O GLU A 59 29.340 -5.693 -15.107 1.00 18.80 O ATOM 462 CB GLU A 59 30.446 -4.174 -13.145 1.00 19.29 C ATOM 463 CG GLU A 59 30.503 -5.516 -12.431 1.00 21.21 C ATOM 464 CD GLU A 59 31.893 -6.104 -12.433 1.00 24.41 C ATOM 465 OE1 GLU A 59 32.645 -5.796 -11.480 1.00 29.01 O ATOM 466 OE2 GLU A 59 32.256 -6.862 -13.373 1.00 24.34 O ATOM 467 N PRO A 60 31.236 -5.816 -16.300 1.00 18.63 N ATOM 468 CA PRO A 60 30.693 -6.771 -17.261 1.00 19.32 C ATOM 469 C PRO A 60 30.265 -8.084 -16.659 1.00 19.20 C ATOM 470 O PRO A 60 29.477 -8.800 -17.276 1.00 21.25 O ATOM 471 CB PRO A 60 31.862 -7.022 -18.236 1.00 19.50 C ATOM 472 CG PRO A 60 32.881 -6.005 -17.936 1.00 21.70 C ATOM 473 CD PRO A 60 32.672 -5.526 -16.503 1.00 19.71 C ATOM 474 N ASP A 61 30.799 -8.435 -15.493 1.00 19.17 N ATOM 475 CA ASP A 61 30.492 -9.706 -14.826 1.00 19.75 C ATOM 476 C ASP A 61 29.175 -9.531 -14.026 1.00 19.06 C ATOM 477 O ASP A 61 29.070 -8.618 -13.213 1.00 19.50 O ATOM 478 CB ASP A 61 31.634 -10.065 -13.905 1.00 19.45 C ATOM 479 CG ASP A 61 32.766 -10.796 -14.643 1.00 25.63 C ATOM 480 OD1 ASP A 61 32.480 -11.291 -15.752 1.00 32.09 O ATOM 481 OD2 ASP A 61 33.929 -10.846 -14.225 1.00 30.10 O ATOM 482 N LEU A 62 28.200 -10.423 -14.281 1.00 17.71 N ATOM 483 CA LEU A 62 26.872 -10.405 -13.599 1.00 16.84 C ATOM 484 C LEU A 62 26.811 -11.503 -12.563 1.00 16.65 C ATOM 485 O LEU A 62 26.804 -12.678 -12.901 1.00 17.45 O ATOM 486 CB LEU A 62 25.729 -10.553 -14.595 1.00 17.76 C ATOM 487 CG LEU A 62 25.738 -9.589 -15.774 1.00 19.97 C ATOM 488 CD1 LEU A 62 24.442 -9.721 -16.546 1.00 24.98 C ATOM 489 CD2 LEU A 62 25.902 -8.159 -15.283 1.00 24.27 C ATOM 490 N PHE A 63 26.773 -11.121 -11.275 1.00 14.60 N ATOM 491 CA PHE A 63 26.878 -12.095 -10.204 1.00 14.18 C ATOM 492 C PHE A 63 26.203 -11.611 -8.922 1.00 12.23 C ATOM 493 O PHE A 63 25.930 -10.413 -8.792 1.00 13.01 O ATOM 494 CB PHE A 63 28.387 -12.375 -9.875 1.00 14.58 C ATOM 495 CG PHE A 63 29.150 -11.134 -9.474 1.00 16.43 C ATOM 496 CD1 PHE A 63 29.164 -10.714 -8.140 1.00 17.33 C ATOM 497 CD2 PHE A 63 29.787 -10.349 -10.427 1.00 16.27 C ATOM 498 CE1 PHE A 63 29.830 -9.560 -7.740 1.00 16.94 C ATOM 499 CE2 PHE A 63 30.469 -9.164 -10.042 1.00 15.90 C ATOM 500 CZ PHE A 63 30.486 -8.768 -8.681 1.00 17.80 C ATOM 501 N ILE A 64 25.976 -12.569 -8.029 1.00 12.55 N ATOM 502 CA ILE A 64 25.568 -12.290 -6.654 1.00 13.47 C ATOM 503 C ILE A 64 26.701 -12.910 -5.817 1.00 14.61 C ATOM 504 O ILE A 64 27.173 -14.025 -6.103 1.00 15.90 O ATOM 505 CB ILE A 64 24.233 -12.954 -6.355 1.00 12.93 C ATOM 506 CG1 ILE A 64 23.179 -12.381 -7.293 1.00 12.51 C ATOM 507 CG2 ILE A 64 23.858 -12.751 -4.859 1.00 14.64 C ATOM 508 CD1 ILE A 64 21.821 -13.108 -7.196 1.00 14.58 C ATOM 509 N ARG A 65 27.182 -12.171 -4.815 1.00 13.37 N ATOM 510 CA ARG A 65 28.352 -12.627 -4.070 1.00 13.72 C ATOM 511 C ARG A 65 28.104 -12.417 -2.594 1.00 12.95 C ATOM 512 O ARG A 65 27.690 -11.334 -2.176 1.00 13.38 O ATOM 513 CB ARG A 65 29.597 -11.853 -4.532 1.00 13.58 C ATOM 514 CG ARG A 65 30.881 -12.267 -3.777 1.00 15.26 C ATOM 515 CD ARG A 65 32.138 -11.550 -4.320 1.00 18.55 C ATOM 516 NE ARG A 65 32.254 -11.791 -5.760 1.00 20.69 N ATOM 517 CZ ARG A 65 32.780 -10.952 -6.642 1.00 21.46 C ATOM 518 NH1 ARG A 65 33.317 -9.790 -6.278 1.00 22.25 N ATOM 519 NH2 ARG A 65 32.767 -11.312 -7.921 1.00 22.58 N ATOM 520 N ILE A 66 28.331 -13.455 -1.800 1.00 12.08 N ATOM 521 CA ILE A 66 28.068 -13.377 -0.382 1.00 12.85 C ATOM 522 C ILE A 66 29.415 -13.499 0.344 1.00 13.11 C ATOM 523 O ILE A 66 30.131 -14.475 0.107 1.00 13.10 O ATOM 524 CB ILE A 66 27.113 -14.529 0.018 1.00 12.84 C ATOM 525 CG1 ILE A 66 25.767 -14.304 -0.700 1.00 16.82 C ATOM 526 CG2 ILE A 66 26.908 -14.541 1.518 1.00 13.90 C ATOM 527 CD1 ILE A 66 24.900 -15.521 -0.616 1.00 20.38 C ATOM 528 N THR A 67 29.736 -12.546 1.224 1.00 12.90 N ATOM 529 CA THR A 67 31.015 -12.476 1.966 1.00 13.50 C ATOM 530 C THR A 67 30.788 -12.327 3.447 1.00 14.05 C ATOM 531 O THR A 67 30.462 -11.243 3.934 1.00 12.95 O ATOM 532 CB THR A 67 31.841 -11.273 1.485 1.00 13.52 C ATOM 533 OG1 THR A 67 32.031 -11.340 0.065 1.00 14.65 O ATOM 534 CG2 THR A 67 33.251 -11.338 2.061 1.00 12.87 C ATOM 535 N PRO A 68 31.000 -13.388 4.211 1.00 15.08 N ATOM 536 CA PRO A 68 30.992 -13.205 5.656 1.00 15.99 C ATOM 537 C PRO A 68 32.274 -12.530 6.125 1.00 16.99 C ATOM 538 O PRO A 68 33.354 -12.809 5.583 1.00 17.28 O ATOM 539 CB PRO A 68 30.926 -14.642 6.216 1.00 16.79 C ATOM 540 CG PRO A 68 31.182 -15.510 5.112 1.00 18.04 C ATOM 541 CD PRO A 68 31.165 -14.783 3.795 1.00 16.14 C ATOM 542 N LYS A 69 32.144 -11.632 7.087 1.00 16.62 N ATOM 543 CA LYS A 69 33.264 -10.931 7.705 1.00 17.18 C ATOM 544 C LYS A 69 33.165 -11.130 9.206 1.00 18.71 C ATOM 545 O LYS A 69 32.718 -10.229 9.930 1.00 16.77 O ATOM 546 CB LYS A 69 33.216 -9.454 7.355 1.00 17.12 C ATOM 547 CG LYS A 69 33.457 -9.194 5.847 1.00 17.38 C ATOM 548 CD LYS A 69 33.436 -7.691 5.570 1.00 18.98 C ATOM 549 CE LYS A 69 33.964 -7.347 4.160 1.00 21.71 C ATOM 550 NZ LYS A 69 33.957 -5.867 3.919 1.00 22.59 N ATOM 551 N PRO A 70 33.626 -12.297 9.650 1.00 20.56 N ATOM 552 CA PRO A 70 33.454 -12.729 11.055 1.00 22.21 C ATOM 553 C PRO A 70 33.941 -11.728 12.090 1.00 23.44 C ATOM 554 O PRO A 70 33.165 -11.417 12.995 1.00 24.42 O ATOM 555 CB PRO A 70 34.241 -14.041 11.107 1.00 22.44 C ATOM 556 CG PRO A 70 34.290 -14.544 9.686 1.00 24.03 C ATOM 557 CD PRO A 70 34.316 -13.311 8.836 1.00 20.93 C ATOM 558 N GLU A 71 35.157 -11.201 11.950 1.00 24.87 N ATOM 559 CA GLU A 71 35.680 -10.283 12.947 1.00 25.52 C ATOM 560 C GLU A 71 34.784 -9.077 13.183 1.00 25.63 C ATOM 561 O GLU A 71 34.666 -8.604 14.296 1.00 26.65 O ATOM 562 CB GLU A 71 37.086 -9.778 12.558 1.00 27.14 C ATOM 563 N GLN A 72 34.125 -8.588 12.137 1.00 22.63 N ATOM 564 CA GLN A 72 33.201 -7.466 12.306 1.00 21.99 C ATOM 565 C GLN A 72 31.739 -7.891 12.529 1.00 19.55 C ATOM 566 O GLN A 72 30.891 -7.010 12.685 1.00 20.60 O ATOM 567 CB GLN A 72 33.262 -6.507 11.115 1.00 22.56 C ATOM 568 CG GLN A 72 34.685 -6.033 10.771 1.00 27.88 C ATOM 569 CD GLN A 72 35.270 -6.873 9.650 1.00 33.64 C ATOM 570 OE1 GLN A 72 35.560 -8.056 9.850 1.00 35.29 O ATOM 571 NE2 GLN A 72 35.374 -6.292 8.447 1.00 34.20 N ATOM 572 N LYS A 73 31.474 -9.193 12.551 1.00 18.63 N ATOM 573 CA LYS A 73 30.120 -9.693 12.708 1.00 17.46 C ATOM 574 C LYS A 73 29.261 -9.132 11.621 1.00 15.77 C ATOM 575 O LYS A 73 28.131 -8.692 11.842 1.00 17.01 O ATOM 576 CB LYS A 73 29.529 -9.379 14.083 1.00 18.93 C ATOM 577 CG LYS A 73 30.306 -10.125 15.214 1.00 21.20 C ATOM 578 CD LYS A 73 29.596 -9.904 16.541 1.00 27.87 C ATOM 579 CE LYS A 73 29.704 -8.451 16.961 1.00 33.10 C ATOM 580 NZ LYS A 73 29.351 -8.261 18.413 1.00 38.37 N ATOM 581 N VAL A 74 29.816 -9.171 10.426 1.00 15.70 N ATOM 582 CA VAL A 74 29.104 -8.638 9.257 1.00 14.28 C ATOM 583 C VAL A 74 28.897 -9.686 8.201 1.00 14.18 C ATOM 584 O VAL A 74 29.743 -10.550 7.976 1.00 15.18 O ATOM 585 CB VAL A 74 29.954 -7.488 8.690 1.00 15.41 C ATOM 586 CG1 VAL A 74 29.681 -7.238 7.190 1.00 14.46 C ATOM 587 CG2 VAL A 74 29.709 -6.217 9.504 1.00 13.68 C ATOM 588 N LEU A 75 27.742 -9.644 7.526 1.00 12.63 N ATOM 589 CA LEU A 75 27.534 -10.477 6.340 1.00 12.81 C ATOM 590 C LEU A 75 27.226 -9.524 5.179 1.00 12.09 C ATOM 591 O LEU A 75 26.321 -8.725 5.299 1.00 12.18 O ATOM 592 CB LEU A 75 26.348 -11.410 6.532 1.00 12.08 C ATOM 593 CG LEU A 75 26.035 -12.323 5.357 1.00 12.97 C ATOM 594 CD1 LEU A 75 27.205 -13.294 5.066 1.00 14.11 C ATOM 595 CD2 LEU A 75 24.774 -13.090 5.660 1.00 13.64 C ATOM 596 N GLU A 76 27.993 -9.614 4.078 1.00 11.33 N ATOM 597 CA GLU A 76 27.719 -8.757 2.900 1.00 11.66 C ATOM 598 C GLU A 76 27.086 -9.542 1.777 1.00 11.82 C ATOM 599 O GLU A 76 27.482 -10.667 1.514 1.00 12.57 O ATOM 600 CB GLU A 76 29.029 -8.139 2.386 1.00 10.43 C ATOM 601 CG GLU A 76 29.507 -7.032 3.305 1.00 12.82 C ATOM 602 CD GLU A 76 30.767 -6.341 2.855 1.00 15.10 C ATOM 603 OE1 GLU A 76 31.257 -6.634 1.744 1.00 15.58 O ATOM 604 OE2 GLU A 76 31.262 -5.480 3.620 1.00 15.13 O ATOM 605 N ILE A 77 26.102 -8.948 1.095 1.00 11.91 N ATOM 606 CA ILE A 77 25.461 -9.586 -0.071 1.00 13.41 C ATOM 607 C ILE A 77 25.593 -8.533 -1.154 1.00 12.39 C ATOM 608 O ILE A 77 24.977 -7.461 -1.093 1.00 12.40 O ATOM 609 CB ILE A 77 23.993 -9.832 0.176 1.00 14.23 C ATOM 610 CG1 ILE A 77 23.820 -10.889 1.247 1.00 18.68 C ATOM 611 CG2 ILE A 77 23.364 -10.499 -1.037 1.00 16.45 C ATOM 612 CD1 ILE A 77 23.471 -10.294 2.495 1.00 22.52 C ATOM 613 N ARG A 78 26.367 -8.886 -2.175 1.00 12.30 N ATOM 614 CA ARG A 78 26.685 -7.951 -3.252 1.00 12.47 C ATOM 615 C ARG A 78 26.074 -8.444 -4.548 1.00 12.07 C ATOM 616 O ARG A 78 26.020 -9.640 -4.827 1.00 13.61 O ATOM 617 CB ARG A 78 28.196 -7.931 -3.428 1.00 12.22 C ATOM 618 CG ARG A 78 28.699 -7.121 -4.646 1.00 14.93 C ATOM 619 CD ARG A 78 30.240 -6.831 -4.633 1.00 18.53 C ATOM 620 NE ARG A 78 30.682 -6.055 -5.800 1.00 17.99 N ATOM 621 CZ ARG A 78 31.898 -5.693 -5.988 1.00 20.83 C ATOM 622 NH1 ARG A 78 32.840 -6.079 -5.116 1.00 24.76 N ATOM 623 NH2 ARG A 78 32.205 -4.971 -7.055 1.00 25.64 N ATOM 624 N ASP A 79 25.658 -7.498 -5.371 1.00 11.40 N ATOM 625 CA ASP A 79 25.303 -7.872 -6.742 1.00 11.41 C ATOM 626 C ASP A 79 25.909 -6.823 -7.659 1.00 11.19 C ATOM 627 O ASP A 79 26.249 -5.694 -7.243 1.00 11.62 O ATOM 628 CB ASP A 79 23.775 -7.954 -6.931 1.00 11.82 C ATOM 629 CG ASP A 79 23.109 -6.650 -6.688 1.00 10.90 C ATOM 630 OD1 ASP A 79 22.421 -6.453 -5.650 1.00 13.93 O ATOM 631 OD2 ASP A 79 23.192 -5.712 -7.493 1.00 12.45 O ATOM 632 N SER A 80 26.048 -7.197 -8.924 1.00 12.54 N ATOM 633 CA SER A 80 26.479 -6.241 -9.949 1.00 12.23 C ATOM 634 C SER A 80 25.266 -5.801 -10.803 1.00 12.15 C ATOM 635 O SER A 80 25.356 -5.634 -12.038 1.00 12.77 O ATOM 636 CB SER A 80 27.593 -6.810 -10.823 1.00 12.57 C ATOM 637 OG SER A 80 27.229 -8.106 -11.306 1.00 13.60 O ATOM 638 N GLY A 81 24.132 -5.628 -10.154 1.00 11.30 N ATOM 639 CA GLY A 81 22.935 -5.097 -10.802 1.00 12.18 C ATOM 640 C GLY A 81 22.996 -3.634 -11.141 1.00 10.98 C ATOM 641 O GLY A 81 24.048 -3.016 -11.222 1.00 12.29 O ATOM 642 N ILE A 82 21.803 -3.073 -11.371 1.00 11.99 N ATOM 643 CA ILE A 82 21.710 -1.715 -11.871 1.00 13.69 C ATOM 644 C ILE A 82 22.172 -0.663 -10.848 1.00 12.76 C ATOM 645 O ILE A 82 22.531 0.450 -11.211 1.00 13.99 O ATOM 646 CB ILE A 82 20.280 -1.455 -12.388 1.00 14.44 C ATOM 647 CG1 ILE A 82 20.207 -0.140 -13.137 1.00 17.06 C ATOM 648 CG2 ILE A 82 19.294 -1.463 -11.260 1.00 16.36 C ATOM 649 CD1 ILE A 82 19.110 -0.202 -14.201 1.00 19.33 C ATOM 650 N GLY A 83 22.220 -1.032 -9.562 1.00 12.09 N ATOM 651 CA GLY A 83 22.608 -0.020 -8.600 1.00 12.95 C ATOM 652 C GLY A 83 21.503 1.008 -8.337 1.00 13.05 C ATOM 653 O GLY A 83 20.432 1.031 -8.986 1.00 13.52 O ATOM 654 N MET A 84 21.794 1.937 -7.424 1.00 11.90 N ATOM 655 CA MET A 84 20.880 3.012 -7.072 1.00 11.82 C ATOM 656 C MET A 84 21.658 4.320 -6.913 1.00 12.29 C ATOM 657 O MET A 84 22.675 4.336 -6.238 1.00 12.49 O ATOM 658 CB MET A 84 20.185 2.707 -5.728 1.00 12.94 C ATOM 659 CG MET A 84 19.116 1.619 -5.855 1.00 13.41 C ATOM 660 SD MET A 84 18.376 1.198 -4.277 1.00 15.75 S ATOM 661 CE MET A 84 19.571 0.058 -3.679 1.00 17.75 C ATOM 662 N THR A 85 21.196 5.401 -7.556 1.00 12.06 N ATOM 663 CA THR A 85 21.726 6.740 -7.329 1.00 11.66 C ATOM 664 C THR A 85 21.335 7.215 -5.919 1.00 11.75 C ATOM 665 O THR A 85 20.554 6.575 -5.209 1.00 12.17 O ATOM 666 CB THR A 85 21.088 7.735 -8.306 1.00 12.16 C ATOM 667 OG1 THR A 85 19.684 7.821 -8.029 1.00 15.14 O ATOM 668 CG2 THR A 85 21.197 7.186 -9.704 1.00 12.35 C ATOM 669 N LYS A 86 21.916 8.341 -5.495 1.00 12.63 N ATOM 670 CA LYS A 86 21.531 8.917 -4.213 1.00 13.17 C ATOM 671 C LYS A 86 20.010 9.078 -4.105 1.00 13.42 C ATOM 672 O LYS A 86 19.403 8.679 -3.101 1.00 12.88 O ATOM 673 CB LYS A 86 22.205 10.281 -4.047 1.00 13.11 C ATOM 674 CG LYS A 86 21.924 10.940 -2.716 1.00 14.52 C ATOM 675 CD LYS A 86 22.523 12.340 -2.674 1.00 17.44 C ATOM 676 CE LYS A 86 22.196 12.983 -1.370 1.00 21.81 C ATOM 677 NZ LYS A 86 22.725 14.374 -1.345 1.00 25.44 N ATOM 678 N ALA A 87 19.405 9.638 -5.167 1.00 13.68 N ATOM 679 CA ALA A 87 17.965 9.847 -5.136 1.00 14.26 C ATOM 680 C ALA A 87 17.188 8.540 -5.080 1.00 13.89 C ATOM 681 O ALA A 87 16.185 8.484 -4.388 1.00 14.98 O ATOM 682 CB ALA A 87 17.524 10.660 -6.369 1.00 14.72 C ATOM 683 N GLU A 88 17.675 7.511 -5.759 1.00 13.78 N ATOM 684 CA GLU A 88 16.993 6.213 -5.722 1.00 13.30 C ATOM 685 C GLU A 88 17.121 5.568 -4.357 1.00 12.84 C ATOM 686 O GLU A 88 16.201 4.899 -3.874 1.00 14.63 O ATOM 687 CB GLU A 88 17.519 5.291 -6.806 1.00 14.68 C ATOM 688 CG GLU A 88 17.055 5.749 -8.190 1.00 15.76 C ATOM 689 CD GLU A 88 17.705 5.029 -9.319 1.00 21.27 C ATOM 690 OE1 GLU A 88 18.862 4.608 -9.227 1.00 15.60 O ATOM 691 OE2 GLU A 88 17.057 4.951 -10.380 1.00 26.24 O ATOM 692 N LEU A 89 18.282 5.729 -3.719 1.00 12.80 N ATOM 693 CA LEU A 89 18.410 5.165 -2.378 1.00 12.81 C ATOM 694 C LEU A 89 17.393 5.780 -1.434 1.00 14.77 C ATOM 695 O LEU A 89 16.708 5.071 -0.678 1.00 15.82 O ATOM 696 CB LEU A 89 19.820 5.440 -1.810 1.00 13.17 C ATOM 697 CG LEU A 89 20.905 4.582 -2.450 1.00 11.59 C ATOM 698 CD1 LEU A 89 22.276 5.147 -2.012 1.00 14.15 C ATOM 699 CD2 LEU A 89 20.828 3.120 -1.998 1.00 12.52 C ATOM 700 N ILE A 90 17.310 7.104 -1.459 1.00 14.92 N ATOM 701 CA ILE A 90 16.364 7.816 -0.592 1.00 16.06 C ATOM 702 C ILE A 90 14.937 7.364 -0.896 1.00 17.30 C ATOM 703 O ILE A 90 14.174 7.006 0.031 1.00 18.87 O ATOM 704 CB ILE A 90 16.525 9.287 -0.817 1.00 13.89 C ATOM 705 CG1 ILE A 90 17.930 9.737 -0.379 1.00 16.63 C ATOM 706 CG2 ILE A 90 15.428 10.112 -0.047 1.00 17.66 C ATOM 707 CD1 ILE A 90 18.233 11.173 -0.798 1.00 16.56 C ATOM 708 N ASN A 91 14.593 7.288 -2.176 1.00 17.39 N ATOM 709 CA ASN A 91 13.230 6.926 -2.596 1.00 19.23 C ATOM 710 C ASN A 91 12.907 5.447 -2.401 1.00 19.37 C ATOM 711 O ASN A 91 11.871 5.096 -1.786 1.00 20.83 O ATOM 712 CB ASN A 91 13.036 7.331 -4.075 1.00 19.87 C ATOM 713 CG ASN A 91 11.552 7.244 -4.531 1.00 23.09 C ATOM 714 OD1 ASN A 91 10.662 7.733 -3.840 1.00 26.42 O ATOM 715 ND2 ASN A 91 11.309 6.615 -5.666 1.00 26.08 N ATOM 716 N ASN A 92 13.749 4.572 -2.928 1.00 17.44 N ATOM 717 CA ASN A 92 13.468 3.135 -2.893 1.00 18.15 C ATOM 718 C ASN A 92 13.463 2.565 -1.493 1.00 18.04 C ATOM 719 O ASN A 92 12.688 1.662 -1.191 1.00 19.98 O ATOM 720 CB ASN A 92 14.475 2.342 -3.754 1.00 18.82 C ATOM 721 CG ASN A 92 14.326 2.614 -5.242 1.00 20.94 C ATOM 722 OD1 ASN A 92 13.386 3.298 -5.674 1.00 25.18 O ATOM 723 ND2 ASN A 92 15.294 2.135 -6.029 1.00 20.73 N ATOM 724 N LEU A 93 14.358 3.069 -0.643 1.00 16.10 N ATOM 725 CA LEU A 93 14.523 2.480 0.680 1.00 15.44 C ATOM 726 C LEU A 93 13.815 3.191 1.823 1.00 16.19 C ATOM 727 O LEU A 93 13.507 2.587 2.866 1.00 16.86 O ATOM 728 CB LEU A 93 16.009 2.280 0.982 1.00 14.08 C ATOM 729 CG LEU A 93 16.784 1.547 -0.114 1.00 14.17 C ATOM 730 CD1 LEU A 93 18.242 1.424 0.293 1.00 14.27 C ATOM 731 CD2 LEU A 93 16.203 0.130 -0.341 1.00 17.07 C ATOM 732 N GLY A 94 13.553 4.485 1.636 1.00 16.50 N ATOM 733 CA GLY A 94 12.895 5.217 2.682 1.00 18.50 C ATOM 734 C GLY A 94 11.469 5.677 2.398 1.00 21.34 C ATOM 735 O GLY A 94 10.821 6.178 3.313 1.00 20.50 O ATOM 736 N THR A 95 10.982 5.471 1.170 1.00 21.68 N ATOM 737 CA THR A 95 9.665 5.967 0.745 1.00 24.08 C ATOM 738 C THR A 95 8.658 4.978 0.095 1.00 23.36 C ATOM 739 O THR A 95 7.529 4.846 0.561 1.00 23.74 O ATOM 740 CB THR A 95 9.861 7.053 -0.280 1.00 24.87 C ATOM 741 OG1 THR A 95 10.420 8.204 0.346 1.00 30.63 O ATOM 742 CG2 THR A 95 8.485 7.512 -0.788 1.00 26.23 C ATOM 743 N ILE A 96 9.057 4.351 -1.014 1.00 24.29 N ATOM 744 CA ILE A 96 8.121 3.604 -1.874 1.00 24.83 C ATOM 745 C ILE A 96 7.557 2.364 -1.232 1.00 25.04 C ATOM 746 O ILE A 96 6.511 1.857 -1.681 1.00 25.75 O ATOM 747 CB ILE A 96 8.725 3.262 -3.269 1.00 25.27 C ATOM 748 CG1 ILE A 96 9.824 2.200 -3.158 1.00 26.83 C ATOM 749 CG2 ILE A 96 9.204 4.513 -4.009 1.00 26.39 C ATOM 750 CD1 ILE A 96 10.302 1.661 -4.535 1.00 30.12 C ATOM 751 N ALA A 97 8.227 1.871 -0.190 1.00 23.96 N ATOM 752 CA ALA A 97 7.738 0.715 0.533 1.00 24.57 C ATOM 753 C ALA A 97 6.566 0.990 1.471 1.00 24.96 C ATOM 754 O ALA A 97 6.041 0.065 2.088 1.00 25.75 O ATOM 755 CB ALA A 97 8.875 0.025 1.288 1.00 23.80 C ATOM 756 N LYS A 98 6.154 2.247 1.582 1.00 25.53 N ATOM 757 CA LYS A 98 5.032 2.582 2.445 1.00 26.29 C ATOM 758 C LYS A 98 3.795 1.692 2.184 1.00 26.96 C ATOM 759 O LYS A 98 3.263 1.080 3.130 1.00 29.61 O ATOM 760 CB LYS A 98 4.677 4.065 2.235 1.00 26.01 C ATOM 761 N SER A 99 3.384 1.544 0.930 1.00 27.94 N ATOM 762 CA SER A 99 2.134 0.865 0.640 1.00 28.50 C ATOM 763 C SER A 99 2.224 -0.628 0.967 1.00 27.30 C ATOM 764 O SER A 99 1.362 -1.197 1.650 1.00 28.11 O ATOM 765 CB SER A 99 1.751 1.076 -0.817 1.00 29.09 C ATOM 766 OG SER A 99 2.634 0.326 -1.608 1.00 34.91 O ATOM 767 N GLY A 100 3.261 -1.278 0.470 1.00 26.28 N ATOM 768 CA GLY A 100 3.438 -2.686 0.797 1.00 24.97 C ATOM 769 C GLY A 100 3.518 -2.942 2.296 1.00 23.62 C ATOM 770 O GLY A 100 2.966 -3.956 2.758 1.00 21.30 O ATOM 771 N THR A 101 4.247 -2.101 3.042 1.00 22.40 N ATOM 772 CA THR A 101 4.452 -2.363 4.450 1.00 22.75 C ATOM 773 C THR A 101 3.108 -2.308 5.168 1.00 22.69 C ATOM 774 O THR A 101 2.848 -3.130 6.000 1.00 21.58 O ATOM 775 CB THR A 101 5.524 -1.456 5.212 1.00 23.07 C ATOM 776 OG1 THR A 101 5.133 -0.081 5.240 1.00 25.02 O ATOM 777 CG2 THR A 101 6.892 -1.481 4.505 1.00 22.76 C ATOM 778 N LYS A 102 2.266 -1.342 4.825 1.00 23.73 N ATOM 779 CA LYS A 102 0.972 -1.252 5.501 1.00 24.00 C ATOM 780 C LYS A 102 0.128 -2.505 5.307 1.00 23.10 C ATOM 781 O LYS A 102 -0.338 -3.128 6.275 1.00 23.57 O ATOM 782 CB LYS A 102 0.197 0.005 5.080 1.00 24.94 C ATOM 783 CG LYS A 102 -0.912 0.322 6.059 1.00 27.73 C ATOM 784 N ALA A 103 -0.038 -2.901 4.058 1.00 22.87 N ATOM 785 CA ALA A 103 -0.783 -4.105 3.754 1.00 20.64 C ATOM 786 C ALA A 103 -0.167 -5.351 4.402 1.00 19.07 C ATOM 787 O ALA A 103 -0.866 -6.213 4.882 1.00 19.19 O ATOM 788 CB ALA A 103 -0.895 -4.281 2.247 1.00 22.95 C ATOM 789 N PHE A 104 1.152 -5.450 4.392 1.00 17.13 N ATOM 790 CA PHE A 104 1.797 -6.616 5.017 1.00 15.24 C ATOM 791 C PHE A 104 1.565 -6.636 6.531 1.00 15.56 C ATOM 792 O PHE A 104 1.351 -7.710 7.101 1.00 15.96 O ATOM 793 CB PHE A 104 3.307 -6.586 4.736 1.00 15.70 C ATOM 794 CG PHE A 104 4.035 -7.726 5.317 1.00 12.43 C ATOM 795 CD1 PHE A 104 3.633 -9.044 5.046 1.00 16.27 C ATOM 796 CD2 PHE A 104 5.136 -7.515 6.126 1.00 14.81 C ATOM 797 CE1 PHE A 104 4.373 -10.105 5.622 1.00 15.60 C ATOM 798 CE2 PHE A 104 5.859 -8.562 6.662 1.00 17.55 C ATOM 799 CZ PHE A 104 5.459 -9.848 6.421 1.00 15.62 C ATOM 800 N MET A 105 1.636 -5.487 7.193 1.00 16.45 N ATOM 801 CA MET A 105 1.397 -5.502 8.624 1.00 16.05 C ATOM 802 C MET A 105 -0.005 -5.915 8.979 1.00 16.91 C ATOM 803 O MET A 105 -0.195 -6.553 10.014 1.00 17.10 O ATOM 804 CB MET A 105 1.674 -4.131 9.237 1.00 16.66 C ATOM 805 CG MET A 105 3.154 -3.834 9.195 1.00 17.35 C ATOM 806 SD MET A 105 3.589 -2.287 10.105 1.00 20.19 S ATOM 807 CE MET A 105 3.020 -1.198 9.041 1.00 17.97 C ATOM 808 N GLU A 106 -0.963 -5.543 8.153 1.00 16.85 N ATOM 809 CA GLU A 106 -2.355 -5.959 8.400 1.00 18.32 C ATOM 810 C GLU A 106 -2.448 -7.474 8.236 1.00 19.34 C ATOM 811 O GLU A 106 -3.151 -8.162 9.011 1.00 20.11 O ATOM 812 CB GLU A 106 -3.285 -5.248 7.461 1.00 20.07 C ATOM 813 CG GLU A 106 -3.339 -3.746 7.749 1.00 24.58 C ATOM 814 CD GLU A 106 -4.107 -2.973 6.697 1.00 33.23 C ATOM 815 OE1 GLU A 106 -4.212 -3.460 5.564 1.00 37.02 O ATOM 816 OE2 GLU A 106 -4.598 -1.863 7.009 1.00 40.23 O ATOM 817 N ALA A 107 -1.752 -8.008 7.223 1.00 17.43 N ATOM 818 CA ALA A 107 -1.713 -9.451 7.062 1.00 18.02 C ATOM 819 C ALA A 107 -1.063 -10.143 8.263 1.00 18.06 C ATOM 820 O ALA A 107 -1.566 -11.164 8.713 1.00 17.92 O ATOM 821 CB ALA A 107 -1.043 -9.873 5.687 1.00 16.98 C ATOM 822 N LEU A 108 0.048 -9.594 8.774 1.00 17.66 N ATOM 823 CA LEU A 108 0.709 -10.140 9.943 1.00 18.18 C ATOM 824 C LEU A 108 -0.296 -10.140 11.088 1.00 18.32 C ATOM 825 O LEU A 108 -0.379 -11.116 11.836 1.00 19.56 O ATOM 826 CB LEU A 108 1.927 -9.300 10.337 1.00 17.94 C ATOM 827 CG LEU A 108 3.133 -9.495 9.400 1.00 18.20 C ATOM 828 CD1 LEU A 108 4.257 -8.547 9.875 1.00 18.57 C ATOM 829 CD2 LEU A 108 3.635 -10.934 9.401 1.00 18.81 C ATOM 830 N SER A 109 -1.070 -9.074 11.216 1.00 20.01 N ATOM 831 CA SER A 109 -2.043 -8.976 12.305 1.00 22.25 C ATOM 832 C SER A 109 -2.966 -10.179 12.323 1.00 22.34 C ATOM 833 O SER A 109 -3.370 -10.694 13.373 1.00 23.41 O ATOM 834 CB SER A 109 -2.941 -7.764 12.101 1.00 22.88 C ATOM 835 OG SER A 109 -2.353 -6.599 12.613 1.00 32.91 O ATOM 836 N ALA A 110 -3.328 -10.606 11.125 1.00 20.39 N ATOM 837 CA ALA A 110 -4.329 -11.661 10.944 1.00 19.69 C ATOM 838 C ALA A 110 -3.761 -13.035 11.043 1.00 18.67 C ATOM 839 O ALA A 110 -4.513 -14.000 11.115 1.00 18.31 O ATOM 840 CB ALA A 110 -5.006 -11.482 9.605 1.00 19.26 C ATOM 841 N GLY A 111 -2.439 -13.156 11.008 1.00 18.14 N ATOM 842 CA GLY A 111 -1.787 -14.427 11.142 1.00 18.32 C ATOM 843 C GLY A 111 -0.861 -14.850 10.012 1.00 18.35 C ATOM 844 O GLY A 111 -0.348 -15.956 10.039 1.00 19.03 O ATOM 845 N ALA A 112 -0.649 -13.979 9.030 1.00 18.07 N ATOM 846 CA ALA A 112 0.240 -14.351 7.924 1.00 18.40 C ATOM 847 C ALA A 112 1.625 -14.688 8.387 1.00 18.93 C ATOM 848 O ALA A 112 2.150 -14.097 9.345 1.00 19.67 O ATOM 849 CB ALA A 112 0.328 -13.200 6.897 1.00 17.74 C ATOM 850 N ASP A 113 2.260 -15.618 7.687 1.00 18.09 N ATOM 851 CA ASP A 113 3.626 -15.920 8.018 1.00 19.25 C ATOM 852 C ASP A 113 4.546 -14.772 7.577 1.00 18.36 C ATOM 853 O ASP A 113 4.378 -14.226 6.485 1.00 17.77 O ATOM 854 CB ASP A 113 4.060 -17.172 7.310 1.00 19.74 C ATOM 855 CG ASP A 113 5.240 -17.775 7.970 1.00 24.85 C ATOM 856 OD1 ASP A 113 6.346 -17.479 7.535 1.00 22.56 O ATOM 857 OD2 ASP A 113 5.156 -18.468 9.018 1.00 27.45 O ATOM 858 N VAL A 114 5.518 -14.445 8.428 1.00 17.96 N ATOM 859 CA VAL A 114 6.497 -13.414 8.090 1.00 17.23 C ATOM 860 C VAL A 114 7.140 -13.722 6.733 1.00 17.60 C ATOM 861 O VAL A 114 7.547 -12.806 6.010 1.00 18.67 O ATOM 862 CB VAL A 114 7.578 -13.337 9.170 1.00 17.85 C ATOM 863 CG1 VAL A 114 8.697 -12.396 8.764 1.00 19.83 C ATOM 864 CG2 VAL A 114 6.941 -12.860 10.496 1.00 19.01 C ATOM 865 N SER A 115 7.224 -15.001 6.374 1.00 18.40 N ATOM 866 CA SER A 115 7.821 -15.348 5.085 1.00 17.85 C ATOM 867 C SER A 115 7.079 -14.833 3.860 1.00 18.23 C ATOM 868 O SER A 115 7.637 -14.828 2.753 1.00 18.81 O ATOM 869 CB SER A 115 8.085 -16.864 4.966 1.00 20.01 C ATOM 870 OG SER A 115 6.840 -17.553 4.814 1.00 21.84 O ATOM 871 N MET A 116 5.851 -14.351 4.028 1.00 16.17 N ATOM 872 CA MET A 116 5.127 -13.736 2.907 1.00 17.38 C ATOM 873 C MET A 116 5.633 -12.347 2.526 1.00 16.07 C ATOM 874 O MET A 116 5.161 -11.755 1.558 1.00 16.26 O ATOM 875 CB MET A 116 3.609 -13.569 3.196 1.00 17.66 C ATOM 876 CG MET A 116 2.908 -14.852 3.385 1.00 20.83 C ATOM 877 SD MET A 116 1.111 -14.572 3.322 1.00 21.11 S ATOM 878 CE MET A 116 0.900 -14.117 1.605 1.00 23.57 C ATOM 879 N ILE A 117 6.594 -11.836 3.299 1.00 14.75 N ATOM 880 CA ILE A 117 6.991 -10.440 3.148 1.00 14.73 C ATOM 881 C ILE A 117 7.344 -10.075 1.707 1.00 14.23 C ATOM 882 O ILE A 117 7.001 -8.990 1.254 1.00 14.16 O ATOM 883 CB ILE A 117 8.138 -10.142 4.152 1.00 14.11 C ATOM 884 CG1 ILE A 117 8.460 -8.635 4.138 1.00 14.31 C ATOM 885 CG2 ILE A 117 9.387 -11.012 3.819 1.00 15.85 C ATOM 886 CD1 ILE A 117 9.432 -8.242 5.282 1.00 16.35 C ATOM 887 N GLY A 118 7.994 -10.965 0.972 1.00 14.99 N ATOM 888 CA GLY A 118 8.356 -10.665 -0.402 1.00 15.09 C ATOM 889 C GLY A 118 7.184 -10.487 -1.349 1.00 14.91 C ATOM 890 O GLY A 118 7.254 -9.725 -2.321 1.00 15.86 O ATOM 891 N GLN A 119 6.104 -11.188 -1.064 1.00 15.37 N ATOM 892 CA GLN A 119 4.913 -11.056 -1.874 1.00 14.86 C ATOM 893 C GLN A 119 4.236 -9.711 -1.706 1.00 15.71 C ATOM 894 O GLN A 119 3.385 -9.317 -2.511 1.00 15.27 O ATOM 895 CB GLN A 119 3.965 -12.214 -1.563 1.00 16.40 C ATOM 896 CG GLN A 119 4.536 -13.508 -2.118 1.00 19.15 C ATOM 897 CD GLN A 119 3.744 -14.681 -1.658 1.00 21.60 C ATOM 898 OE1 GLN A 119 4.176 -15.431 -0.762 1.00 26.29 O ATOM 899 NE2 GLN A 119 2.591 -14.874 -2.271 1.00 22.22 N ATOM 900 N PHE A 120 4.622 -8.987 -0.661 1.00 14.82 N ATOM 901 CA PHE A 120 4.105 -7.645 -0.472 1.00 15.03 C ATOM 902 C PHE A 120 5.119 -6.606 -0.940 1.00 14.90 C ATOM 903 O PHE A 120 4.912 -5.405 -0.786 1.00 15.91 O ATOM 904 CB PHE A 120 3.704 -7.373 0.980 1.00 15.26 C ATOM 905 CG PHE A 120 2.469 -8.130 1.416 1.00 15.54 C ATOM 906 CD1 PHE A 120 2.506 -9.485 1.695 1.00 16.82 C ATOM 907 CD2 PHE A 120 1.266 -7.434 1.553 1.00 16.43 C ATOM 908 CE1 PHE A 120 1.359 -10.164 2.092 1.00 17.87 C ATOM 909 CE2 PHE A 120 0.118 -8.112 1.945 1.00 15.19 C ATOM 910 CZ PHE A 120 0.164 -9.453 2.221 1.00 18.18 C ATOM 911 N GLY A 121 6.227 -7.082 -1.502 1.00 15.65 N ATOM 912 CA GLY A 121 7.189 -6.198 -2.151 1.00 15.90 C ATOM 913 C GLY A 121 8.142 -5.481 -1.207 1.00 15.39 C ATOM 914 O GLY A 121 8.834 -4.497 -1.597 1.00 17.26 O ATOM 915 N VAL A 122 8.186 -5.963 0.027 1.00 14.54 N ATOM 916 CA VAL A 122 8.973 -5.299 1.065 1.00 13.51 C ATOM 917 C VAL A 122 9.974 -6.233 1.746 1.00 13.20 C ATOM 918 O VAL A 122 10.370 -6.040 2.894 1.00 12.82 O ATOM 919 CB VAL A 122 8.059 -4.558 2.102 1.00 12.77 C ATOM 920 CG1 VAL A 122 7.341 -3.384 1.451 1.00 16.38 C ATOM 921 CG2 VAL A 122 7.053 -5.538 2.781 1.00 12.77 C ATOM 922 N GLY A 123 10.349 -7.302 1.037 1.00 13.26 N ATOM 923 CA GLY A 123 11.315 -8.257 1.538 1.00 13.10 C ATOM 924 C GLY A 123 12.658 -7.737 2.017 1.00 11.65 C ATOM 925 O GLY A 123 13.277 -8.370 2.820 1.00 13.24 O ATOM 926 N PHE A 124 13.051 -6.559 1.539 1.00 12.17 N ATOM 927 CA PHE A 124 14.313 -5.977 1.938 1.00 11.79 C ATOM 928 C PHE A 124 14.381 -5.876 3.451 1.00 12.06 C ATOM 929 O PHE A 124 15.415 -6.195 4.081 1.00 12.37 O ATOM 930 CB PHE A 124 14.441 -4.551 1.341 1.00 11.10 C ATOM 931 CG PHE A 124 15.526 -3.714 1.954 1.00 12.28 C ATOM 932 CD1 PHE A 124 16.873 -3.983 1.732 1.00 13.16 C ATOM 933 CD2 PHE A 124 15.183 -2.635 2.731 1.00 14.28 C ATOM 934 CE1 PHE A 124 17.881 -3.184 2.290 1.00 14.04 C ATOM 935 CE2 PHE A 124 16.189 -1.782 3.271 1.00 15.55 C ATOM 936 CZ PHE A 124 17.554 -2.078 3.048 1.00 14.12 C ATOM 937 N TYR A 125 13.241 -5.521 4.070 1.00 12.61 N ATOM 938 CA TYR A 125 13.256 -5.251 5.486 1.00 10.90 C ATOM 939 C TYR A 125 13.344 -6.487 6.363 1.00 12.09 C ATOM 940 O TYR A 125 13.611 -6.366 7.575 1.00 12.99 O ATOM 941 CB TYR A 125 12.052 -4.369 5.856 1.00 11.74 C ATOM 942 CG TYR A 125 12.054 -3.053 5.072 1.00 11.42 C ATOM 943 CD1 TYR A 125 11.284 -2.915 3.927 1.00 13.77 C ATOM 944 CD2 TYR A 125 12.844 -1.994 5.464 1.00 11.61 C ATOM 945 CE1 TYR A 125 11.302 -1.781 3.182 1.00 12.78 C ATOM 946 CE2 TYR A 125 12.876 -0.806 4.692 1.00 11.71 C ATOM 947 CZ TYR A 125 12.093 -0.729 3.560 1.00 12.11 C ATOM 948 OH TYR A 125 12.105 0.412 2.785 1.00 16.17 O ATOM 949 N SER A 126 13.226 -7.650 5.716 1.00 12.39 N ATOM 950 CA SER A 126 13.437 -8.907 6.426 1.00 12.52 C ATOM 951 C SER A 126 14.868 -9.036 6.955 1.00 12.05 C ATOM 952 O SER A 126 15.132 -9.859 7.804 1.00 12.66 O ATOM 953 CB SER A 126 13.090 -10.110 5.533 1.00 13.27 C ATOM 954 OG SER A 126 14.079 -10.320 4.527 1.00 14.42 O ATOM 955 N LEU A 127 15.808 -8.214 6.478 1.00 11.81 N ATOM 956 CA LEU A 127 17.153 -8.298 7.016 1.00 11.81 C ATOM 957 C LEU A 127 17.170 -8.029 8.516 1.00 12.38 C ATOM 958 O LEU A 127 18.076 -8.480 9.195 1.00 13.12 O ATOM 959 CB LEU A 127 18.070 -7.336 6.229 1.00 12.61 C ATOM 960 CG LEU A 127 17.792 -5.838 6.433 1.00 12.21 C ATOM 961 CD1 LEU A 127 18.592 -5.273 7.599 1.00 12.07 C ATOM 962 CD2 LEU A 127 18.305 -5.102 5.180 1.00 13.15 C ATOM 963 N PHE A 128 16.174 -7.290 9.045 1.00 12.36 N ATOM 964 CA PHE A 128 16.189 -7.023 10.467 1.00 13.30 C ATOM 965 C PHE A 128 15.818 -8.205 11.353 1.00 14.18 C ATOM 966 O PHE A 128 15.901 -8.110 12.577 1.00 16.00 O ATOM 967 CB PHE A 128 15.291 -5.799 10.752 1.00 12.70 C ATOM 968 CG PHE A 128 15.910 -4.506 10.274 1.00 14.40 C ATOM 969 CD1 PHE A 128 15.381 -3.822 9.178 1.00 13.24 C ATOM 970 CD2 PHE A 128 17.037 -4.005 10.899 1.00 13.66 C ATOM 971 CE1 PHE A 128 15.929 -2.609 8.757 1.00 14.00 C ATOM 972 CE2 PHE A 128 17.628 -2.792 10.480 1.00 14.46 C ATOM 973 CZ PHE A 128 17.059 -2.093 9.404 1.00 13.48 C ATOM 974 N LEU A 129 15.503 -9.334 10.708 1.00 14.40 N ATOM 975 CA LEU A 129 15.371 -10.575 11.479 1.00 14.30 C ATOM 976 C LEU A 129 16.734 -10.997 12.025 1.00 16.03 C ATOM 977 O LEU A 129 16.825 -11.571 13.112 1.00 17.98 O ATOM 978 CB LEU A 129 14.838 -11.708 10.624 1.00 14.56 C ATOM 979 CG LEU A 129 13.440 -11.556 10.079 1.00 13.73 C ATOM 980 CD1 LEU A 129 13.081 -12.595 8.995 1.00 16.03 C ATOM 981 CD2 LEU A 129 12.412 -11.653 11.254 1.00 16.08 C ATOM 982 N VAL A 130 17.792 -10.748 11.259 1.00 14.45 N ATOM 983 CA VAL A 130 19.117 -11.184 11.691 1.00 14.98 C ATOM 984 C VAL A 130 20.078 -10.100 11.985 1.00 14.24 C ATOM 985 O VAL A 130 21.122 -10.342 12.599 1.00 15.26 O ATOM 986 CB VAL A 130 19.730 -12.196 10.689 1.00 14.03 C ATOM 987 CG1 VAL A 130 18.851 -13.459 10.517 1.00 15.29 C ATOM 988 CG2 VAL A 130 19.945 -11.538 9.310 1.00 16.29 C ATOM 989 N ALA A 131 19.784 -8.869 11.553 1.00 14.48 N ATOM 990 CA ALA A 131 20.678 -7.757 11.702 1.00 14.40 C ATOM 991 C ALA A 131 20.058 -6.614 12.477 1.00 14.37 C ATOM 992 O ALA A 131 18.855 -6.380 12.392 1.00 15.60 O ATOM 993 CB ALA A 131 21.130 -7.228 10.304 1.00 14.33 C ATOM 994 N ASP A 132 20.884 -5.869 13.211 1.00 15.35 N ATOM 995 CA ASP A 132 20.357 -4.683 13.865 1.00 17.16 C ATOM 996 C ASP A 132 20.747 -3.398 13.209 1.00 16.38 C ATOM 997 O ASP A 132 20.398 -2.334 13.681 1.00 17.74 O ATOM 998 CB ASP A 132 20.656 -4.629 15.351 1.00 20.69 C ATOM 999 CG ASP A 132 22.082 -4.697 15.644 1.00 23.97 C ATOM 1000 OD1 ASP A 132 22.409 -4.925 16.844 1.00 33.27 O ATOM 1001 OD2 ASP A 132 22.975 -4.567 14.804 1.00 28.92 O ATOM 1002 N ARG A 133 21.471 -3.483 12.107 1.00 14.83 N ATOM 1003 CA ARG A 133 21.932 -2.290 11.416 1.00 14.59 C ATOM 1004 C ARG A 133 22.352 -2.758 10.026 1.00 13.64 C ATOM 1005 O ARG A 133 22.753 -3.918 9.849 1.00 13.27 O ATOM 1006 CB ARG A 133 23.117 -1.683 12.173 1.00 15.99 C ATOM 1007 CG ARG A 133 23.981 -0.749 11.393 1.00 21.03 C ATOM 1008 CD ARG A 133 24.930 0.025 12.311 1.00 27.88 C ATOM 1009 NE ARG A 133 26.010 0.754 11.652 1.00 35.17 N ATOM 1010 CZ ARG A 133 27.244 0.773 12.113 1.00 37.25 C ATOM 1011 NH1 ARG A 133 27.545 0.109 13.219 1.00 39.70 N ATOM 1012 NH2 ARG A 133 28.181 1.464 11.480 1.00 39.55 N ATOM 1013 N VAL A 134 22.182 -1.876 9.043 1.00 12.91 N ATOM 1014 CA VAL A 134 22.540 -2.210 7.654 1.00 12.96 C ATOM 1015 C VAL A 134 23.084 -0.982 6.995 1.00 12.61 C ATOM 1016 O VAL A 134 22.608 0.129 7.221 1.00 11.97 O ATOM 1017 CB VAL A 134 21.305 -2.756 6.845 1.00 12.06 C ATOM 1018 CG1 VAL A 134 20.112 -1.829 6.944 1.00 13.31 C ATOM 1019 CG2 VAL A 134 21.725 -3.061 5.384 1.00 12.39 C ATOM 1020 N GLN A 135 24.114 -1.191 6.170 1.00 11.84 N ATOM 1021 CA GLN A 135 24.572 -0.158 5.228 1.00 11.12 C ATOM 1022 C GLN A 135 24.289 -0.716 3.866 1.00 11.42 C ATOM 1023 O GLN A 135 24.680 -1.862 3.558 1.00 12.71 O ATOM 1024 CB GLN A 135 26.086 0.110 5.346 1.00 11.86 C ATOM 1025 CG GLN A 135 26.399 0.850 6.631 1.00 11.99 C ATOM 1026 CD GLN A 135 27.864 0.923 6.941 1.00 15.51 C ATOM 1027 OE1 GLN A 135 28.688 0.363 6.212 1.00 17.56 O ATOM 1028 NE2 GLN A 135 28.200 1.637 8.011 1.00 17.38 N ATOM 1029 N VAL A 136 23.583 0.089 3.065 1.00 10.51 N ATOM 1030 CA VAL A 136 23.412 -0.270 1.655 1.00 10.22 C ATOM 1031 C VAL A 136 24.414 0.587 0.880 1.00 10.45 C ATOM 1032 O VAL A 136 24.297 1.823 0.884 1.00 11.81 O ATOM 1033 CB VAL A 136 21.988 0.028 1.175 1.00 10.63 C ATOM 1034 CG1 VAL A 136 21.855 -0.304 -0.316 1.00 11.56 C ATOM 1035 CG2 VAL A 136 21.066 -0.944 1.920 1.00 11.39 C ATOM 1036 N ILE A 137 25.410 -0.025 0.237 1.00 9.29 N ATOM 1037 CA ILE A 137 26.435 0.766 -0.476 1.00 9.26 C ATOM 1038 C ILE A 137 26.097 0.576 -1.953 1.00 9.73 C ATOM 1039 O ILE A 137 25.981 -0.547 -2.389 1.00 11.17 O ATOM 1040 CB ILE A 137 27.815 0.161 -0.135 1.00 10.17 C ATOM 1041 CG1 ILE A 137 28.076 0.224 1.369 1.00 13.01 C ATOM 1042 CG2 ILE A 137 28.929 0.908 -0.892 1.00 12.24 C ATOM 1043 CD1 ILE A 137 29.027 -0.863 1.855 1.00 15.67 C ATOM 1044 N SER A 138 25.924 1.656 -2.713 1.00 10.35 N ATOM 1045 CA SER A 138 25.430 1.372 -4.067 1.00 10.59 C ATOM 1046 C SER A 138 26.091 2.324 -5.063 1.00 10.49 C ATOM 1047 O SER A 138 26.434 3.480 -4.747 1.00 11.13 O ATOM 1048 CB SER A 138 23.906 1.535 -4.128 1.00 11.33 C ATOM 1049 OG SER A 138 23.431 0.978 -5.364 1.00 11.76 O ATOM 1050 N LYS A 139 26.282 1.795 -6.272 1.00 11.83 N ATOM 1051 CA LYS A 139 26.852 2.592 -7.377 1.00 11.77 C ATOM 1052 C LYS A 139 26.033 2.331 -8.623 1.00 11.53 C ATOM 1053 O LYS A 139 26.058 1.231 -9.196 1.00 11.60 O ATOM 1054 CB LYS A 139 28.299 2.160 -7.636 1.00 11.42 C ATOM 1055 CG LYS A 139 28.970 2.869 -8.863 1.00 13.16 C ATOM 1056 CD LYS A 139 29.260 4.337 -8.571 1.00 11.65 C ATOM 1057 CE LYS A 139 30.021 4.999 -9.718 1.00 12.90 C ATOM 1058 NZ LYS A 139 29.180 5.080 -10.968 1.00 13.92 N ATOM 1059 N SER A 140 25.298 3.357 -9.007 1.00 12.77 N ATOM 1060 CA SER A 140 24.576 3.311 -10.284 1.00 12.20 C ATOM 1061 C SER A 140 25.507 3.928 -11.343 1.00 13.94 C ATOM 1062 O SER A 140 26.323 4.784 -11.020 1.00 13.76 O ATOM 1063 CB SER A 140 23.339 4.164 -10.150 1.00 12.31 C ATOM 1064 OG SER A 140 22.818 4.522 -11.473 1.00 16.30 O ATOM 1065 N ASN A 141 25.373 3.539 -12.620 1.00 14.28 N ATOM 1066 CA ASN A 141 26.179 4.219 -13.636 1.00 15.29 C ATOM 1067 C ASN A 141 25.876 5.715 -13.687 1.00 16.59 C ATOM 1068 O ASN A 141 26.684 6.481 -14.234 1.00 18.54 O ATOM 1069 CB ASN A 141 25.882 3.646 -15.030 1.00 15.40 C ATOM 1070 CG ASN A 141 26.390 2.240 -15.203 1.00 16.22 C ATOM 1071 OD1 ASN A 141 27.303 1.803 -14.487 1.00 17.13 O ATOM 1072 ND2 ASN A 141 25.842 1.511 -16.171 1.00 15.29 N ATOM 1073 N ASP A 142 24.763 6.132 -13.093 1.00 17.60 N ATOM 1074 CA ASP A 142 24.325 7.522 -13.211 1.00 17.95 C ATOM 1075 C ASP A 142 24.679 8.426 -12.040 1.00 17.82 C ATOM 1076 O ASP A 142 24.252 9.565 -11.993 1.00 18.62 O ATOM 1077 CB ASP A 142 22.829 7.560 -13.477 1.00 20.29 C ATOM 1078 CG ASP A 142 22.469 6.840 -14.784 1.00 26.11 C ATOM 1079 OD1 ASP A 142 23.072 7.183 -15.817 1.00 34.44 O ATOM 1080 OD2 ASP A 142 21.614 5.935 -14.887 1.00 33.53 O ATOM 1081 N ASP A 143 25.417 7.889 -11.068 1.00 15.65 N ATOM 1082 CA ASP A 143 25.807 8.697 -9.911 1.00 14.48 C ATOM 1083 C ASP A 143 27.077 8.146 -9.299 1.00 14.33 C ATOM 1084 O ASP A 143 27.645 7.156 -9.754 1.00 15.08 O ATOM 1085 CB ASP A 143 24.674 8.641 -8.885 1.00 15.37 C ATOM 1086 CG ASP A 143 24.581 9.868 -7.993 1.00 14.41 C ATOM 1087 OD1 ASP A 143 25.488 10.753 -7.985 1.00 16.01 O ATOM 1088 OD2 ASP A 143 23.594 10.019 -7.219 1.00 16.07 O ATOM 1089 N GLU A 144 27.556 8.870 -8.297 1.00 13.68 N ATOM 1090 CA GLU A 144 28.674 8.448 -7.466 1.00 14.39 C ATOM 1091 C GLU A 144 28.258 7.333 -6.531 1.00 12.46 C ATOM 1092 O GLU A 144 27.065 7.035 -6.379 1.00 13.58 O ATOM 1093 CB GLU A 144 29.190 9.620 -6.628 1.00 15.81 C ATOM 1094 CG GLU A 144 29.552 10.823 -7.485 1.00 22.32 C ATOM 1095 CD GLU A 144 30.789 10.614 -8.323 1.00 30.85 C ATOM 1096 OE1 GLU A 144 31.501 9.603 -8.147 1.00 32.36 O ATOM 1097 OE2 GLU A 144 31.083 11.505 -9.160 1.00 38.81 O ATOM 1098 N GLN A 145 29.246 6.714 -5.872 1.00 12.73 N ATOM 1099 CA GLN A 145 28.953 5.645 -4.893 1.00 11.60 C ATOM 1100 C GLN A 145 28.484 6.288 -3.589 1.00 12.06 C ATOM 1101 O GLN A 145 29.123 7.225 -3.105 1.00 12.85 O ATOM 1102 CB GLN A 145 30.227 4.811 -4.637 1.00 10.86 C ATOM 1103 CG GLN A 145 29.994 3.570 -3.770 1.00 10.90 C ATOM 1104 CD GLN A 145 31.125 2.581 -3.915 1.00 12.71 C ATOM 1105 OE1 GLN A 145 31.530 2.220 -5.032 1.00 13.38 O ATOM 1106 NE2 GLN A 145 31.668 2.135 -2.759 1.00 11.17 N ATOM 1107 N TYR A 146 27.371 5.777 -3.042 1.00 11.72 N ATOM 1108 CA TYR A 146 26.768 6.315 -1.805 1.00 11.47 C ATOM 1109 C TYR A 146 26.498 5.213 -0.797 1.00 10.96 C ATOM 1110 O TYR A 146 26.359 4.049 -1.169 1.00 11.85 O ATOM 1111 CB TYR A 146 25.430 7.045 -2.068 1.00 12.15 C ATOM 1112 CG TYR A 146 25.624 8.444 -2.571 1.00 11.81 C ATOM 1113 CD1 TYR A 146 25.717 8.701 -3.943 1.00 13.56 C ATOM 1114 CD2 TYR A 146 25.748 9.498 -1.687 1.00 12.17 C ATOM 1115 CE1 TYR A 146 25.909 9.997 -4.386 1.00 14.07 C ATOM 1116 CE2 TYR A 146 25.889 10.808 -2.148 1.00 14.14 C ATOM 1117 CZ TYR A 146 26.017 11.024 -3.482 1.00 14.57 C ATOM 1118 OH TYR A 146 26.209 12.342 -3.940 1.00 16.70 O ATOM 1119 N ILE A 147 26.404 5.620 0.483 1.00 10.75 N ATOM 1120 CA ILE A 147 26.112 4.666 1.581 1.00 10.85 C ATOM 1121 C ILE A 147 24.825 5.124 2.240 1.00 10.91 C ATOM 1122 O ILE A 147 24.747 6.266 2.699 1.00 12.59 O ATOM 1123 CB ILE A 147 27.201 4.733 2.678 1.00 11.55 C ATOM 1124 CG1 ILE A 147 28.568 4.449 2.052 1.00 13.08 C ATOM 1125 CG2 ILE A 147 26.865 3.691 3.790 1.00 13.23 C ATOM 1126 CD1 ILE A 147 29.722 5.081 2.853 1.00 11.89 C ATOM 1127 N TRP A 148 23.819 4.246 2.266 1.00 10.85 N ATOM 1128 CA TRP A 148 22.567 4.503 2.987 1.00 10.01 C ATOM 1129 C TRP A 148 22.639 3.655 4.251 1.00 12.15 C ATOM 1130 O TRP A 148 23.040 2.485 4.192 1.00 11.80 O ATOM 1131 CB TRP A 148 21.439 4.044 2.061 1.00 11.26 C ATOM 1132 CG TRP A 148 20.035 4.084 2.594 1.00 11.05 C ATOM 1133 CD1 TRP A 148 19.079 5.030 2.302 1.00 12.78 C ATOM 1134 CD2 TRP A 148 19.389 3.087 3.382 1.00 13.14 C ATOM 1135 NE1 TRP A 148 17.879 4.697 2.902 1.00 13.62 N ATOM 1136 CE2 TRP A 148 18.030 3.515 3.568 1.00 13.21 C ATOM 1137 CE3 TRP A 148 19.809 1.885 3.957 1.00 14.02 C ATOM 1138 CZ2 TRP A 148 17.093 2.764 4.324 1.00 14.97 C ATOM 1139 CZ3 TRP A 148 18.862 1.108 4.690 1.00 16.27 C ATOM 1140 CH2 TRP A 148 17.534 1.570 4.855 1.00 13.95 C ATOM 1141 N GLU A 149 22.316 4.239 5.409 1.00 11.49 N ATOM 1142 CA GLU A 149 22.456 3.448 6.657 1.00 11.80 C ATOM 1143 C GLU A 149 21.238 3.566 7.521 1.00 12.07 C ATOM 1144 O GLU A 149 20.712 4.673 7.697 1.00 13.43 O ATOM 1145 CB GLU A 149 23.679 3.906 7.468 1.00 12.61 C ATOM 1146 CG GLU A 149 23.980 3.014 8.681 1.00 13.31 C ATOM 1147 CD GLU A 149 25.417 3.171 9.238 1.00 17.06 C ATOM 1148 OE1 GLU A 149 26.056 4.165 8.978 1.00 19.56 O ATOM 1149 OE2 GLU A 149 25.939 2.248 9.887 1.00 24.58 O ATOM 1150 N SER A 150 20.855 2.434 8.107 1.00 11.79 N ATOM 1151 CA SER A 150 19.683 2.397 9.000 1.00 11.73 C ATOM 1152 C SER A 150 19.912 1.456 10.164 1.00 14.43 C ATOM 1153 O SER A 150 20.557 0.428 10.018 1.00 14.24 O ATOM 1154 CB SER A 150 18.456 1.874 8.203 1.00 14.27 C ATOM 1155 OG SER A 150 17.334 1.617 9.059 1.00 15.27 O ATOM 1156 N ASN A 151 19.350 1.824 11.319 1.00 15.32 N ATOM 1157 CA ASN A 151 19.394 0.926 12.469 1.00 16.43 C ATOM 1158 C ASN A 151 17.996 0.614 12.892 1.00 16.72 C ATOM 1159 O ASN A 151 17.713 0.355 14.054 1.00 17.35 O ATOM 1160 CB ASN A 151 20.169 1.632 13.586 1.00 16.64 C ATOM 1161 CG ASN A 151 19.475 2.886 14.043 1.00 18.66 C ATOM 1162 OD1 ASN A 151 18.510 3.322 13.434 1.00 19.97 O ATOM 1163 ND2 ASN A 151 20.011 3.518 15.076 1.00 27.08 N ATOM 1164 N ALA A 152 17.109 0.568 11.902 1.00 16.13 N ATOM 1165 CA ALA A 152 15.677 0.252 12.091 1.00 16.92 C ATOM 1166 C ALA A 152 14.937 1.362 12.836 1.00 17.67 C ATOM 1167 O ALA A 152 13.762 1.180 13.188 1.00 20.28 O ATOM 1168 CB ALA A 152 15.433 -1.157 12.754 1.00 17.38 C ATOM 1169 N GLY A 153 15.597 2.482 13.078 1.00 18.99 N ATOM 1170 CA GLY A 153 14.950 3.613 13.716 1.00 20.17 C ATOM 1171 C GLY A 153 14.252 4.446 12.658 1.00 20.28 C ATOM 1172 O GLY A 153 14.283 4.097 11.477 1.00 19.83 O ATOM 1173 N GLY A 154 13.691 5.582 13.066 1.00 19.18 N ATOM 1174 CA GLY A 154 12.881 6.401 12.178 1.00 19.18 C ATOM 1175 C GLY A 154 13.606 7.260 11.163 1.00 17.89 C ATOM 1176 O GLY A 154 12.979 7.863 10.295 1.00 18.61 O ATOM 1177 N SER A 155 14.923 7.326 11.281 1.00 18.53 N ATOM 1178 CA SER A 155 15.714 8.147 10.356 1.00 17.74 C ATOM 1179 C SER A 155 16.843 7.321 9.748 1.00 17.16 C ATOM 1180 O SER A 155 17.312 6.335 10.341 1.00 17.80 O ATOM 1181 CB SER A 155 16.301 9.381 11.090 1.00 19.73 C ATOM 1182 OG SER A 155 17.220 8.989 12.096 1.00 26.25 O ATOM 1183 N PHE A 156 17.263 7.707 8.548 1.00 16.50 N ATOM 1184 CA PHE A 156 18.406 7.039 7.922 1.00 14.54 C ATOM 1185 C PHE A 156 19.360 8.113 7.395 1.00 14.23 C ATOM 1186 O PHE A 156 18.989 9.286 7.256 1.00 15.84 O ATOM 1187 CB PHE A 156 17.994 6.121 6.750 1.00 14.53 C ATOM 1188 CG PHE A 156 17.229 6.805 5.645 1.00 14.03 C ATOM 1189 CD1 PHE A 156 17.904 7.315 4.530 1.00 14.63 C ATOM 1190 CD2 PHE A 156 15.831 6.897 5.681 1.00 15.75 C ATOM 1191 CE1 PHE A 156 17.222 7.896 3.458 1.00 14.51 C ATOM 1192 CE2 PHE A 156 15.130 7.472 4.614 1.00 15.57 C ATOM 1193 CZ PHE A 156 15.834 7.980 3.480 1.00 16.38 C ATOM 1194 N THR A 157 20.585 7.701 7.092 1.00 13.59 N ATOM 1195 CA THR A 157 21.533 8.657 6.546 1.00 13.39 C ATOM 1196 C THR A 157 21.964 8.215 5.171 1.00 12.77 C ATOM 1197 O THR A 157 21.902 7.038 4.820 1.00 13.77 O ATOM 1198 CB THR A 157 22.788 8.763 7.394 1.00 13.97 C ATOM 1199 OG1 THR A 157 23.420 7.478 7.555 1.00 14.77 O ATOM 1200 CG2 THR A 157 22.426 9.202 8.843 1.00 15.40 C ATOM 1201 N VAL A 158 22.397 9.198 4.397 1.00 12.76 N ATOM 1202 CA VAL A 158 22.982 8.906 3.100 1.00 13.30 C ATOM 1203 C VAL A 158 24.266 9.727 3.048 1.00 14.50 C ATOM 1204 O VAL A 158 24.234 10.945 3.324 1.00 15.25 O ATOM 1205 CB VAL A 158 22.049 9.336 1.946 1.00 13.60 C ATOM 1206 CG1 VAL A 158 22.728 9.077 0.629 1.00 15.90 C ATOM 1207 CG2 VAL A 158 20.756 8.524 2.005 1.00 15.19 C ATOM 1208 N THR A 159 25.366 9.082 2.669 1.00 13.56 N ATOM 1209 CA THR A 159 26.714 9.700 2.705 1.00 13.32 C ATOM 1210 C THR A 159 27.468 9.329 1.429 1.00 13.50 C ATOM 1211 O THR A 159 27.459 8.186 0.997 1.00 11.95 O ATOM 1212 CB THR A 159 27.484 9.155 3.914 1.00 14.44 C ATOM 1213 OG1 THR A 159 26.725 9.332 5.124 1.00 16.00 O ATOM 1214 CG2 THR A 159 28.812 9.900 4.154 1.00 15.59 C ATOM 1215 N LEU A 160 28.080 10.342 0.799 1.00 13.14 N ATOM 1216 CA LEU A 160 28.933 10.052 -0.350 1.00 13.06 C ATOM 1217 C LEU A 160 30.040 9.131 0.158 1.00 13.41 C ATOM 1218 O LEU A 160 30.606 9.347 1.227 1.00 13.08 O ATOM 1219 CB LEU A 160 29.554 11.381 -0.849 1.00 14.42 C ATOM 1220 CG LEU A 160 30.563 11.210 -1.972 1.00 15.27 C ATOM 1221 CD1 LEU A 160 29.835 10.755 -3.205 1.00 18.45 C ATOM 1222 CD2 LEU A 160 31.192 12.591 -2.210 1.00 20.38 C ATOM 1223 N ASP A 161 30.320 8.068 -0.594 1.00 12.14 N ATOM 1224 CA ASP A 161 31.235 6.991 -0.147 1.00 12.28 C ATOM 1225 C ASP A 161 32.716 7.257 -0.422 1.00 13.61 C ATOM 1226 O ASP A 161 33.150 7.198 -1.570 1.00 14.56 O ATOM 1227 CB ASP A 161 30.827 5.679 -0.806 1.00 12.50 C ATOM 1228 CG ASP A 161 31.481 4.498 -0.172 1.00 11.91 C ATOM 1229 OD1 ASP A 161 32.556 4.630 0.447 1.00 12.01 O ATOM 1230 OD2 ASP A 161 30.996 3.387 -0.266 1.00 10.42 O ATOM 1231 N GLU A 162 33.467 7.572 0.623 1.00 13.84 N ATOM 1232 CA GLU A 162 34.907 7.713 0.496 1.00 15.60 C ATOM 1233 C GLU A 162 35.595 6.706 1.443 1.00 15.64 C ATOM 1234 O GLU A 162 36.732 6.930 1.856 1.00 15.88 O ATOM 1235 CB GLU A 162 35.338 9.151 0.834 1.00 17.66 C ATOM 1236 CG GLU A 162 34.864 10.215 -0.154 1.00 21.53 C ATOM 1237 CD GLU A 162 35.251 11.639 0.232 1.00 31.70 C ATOM 1238 OE1 GLU A 162 36.009 11.812 1.207 1.00 35.33 O ATOM 1239 OE2 GLU A 162 34.787 12.572 -0.456 1.00 37.57 O ATOM 1240 N VAL A 163 34.903 5.632 1.807 1.00 13.23 N ATOM 1241 CA VAL A 163 35.465 4.675 2.782 1.00 14.00 C ATOM 1242 C VAL A 163 35.434 3.203 2.403 1.00 12.84 C ATOM 1243 O VAL A 163 36.120 2.385 2.999 1.00 14.20 O ATOM 1244 CB VAL A 163 34.849 4.852 4.184 1.00 13.34 C ATOM 1245 CG1 VAL A 163 35.147 6.283 4.697 1.00 15.53 C ATOM 1246 CG2 VAL A 163 33.311 4.619 4.158 1.00 15.01 C ATOM 1247 N ASN A 164 34.603 2.831 1.433 1.00 11.93 N ATOM 1248 CA ASN A 164 34.473 1.434 1.041 1.00 11.68 C ATOM 1249 C ASN A 164 35.150 1.095 -0.281 1.00 12.42 C ATOM 1250 O ASN A 164 35.438 2.006 -1.056 1.00 13.46 O ATOM 1251 CB ASN A 164 32.991 1.030 0.979 1.00 11.52 C ATOM 1252 CG ASN A 164 32.303 1.177 2.315 1.00 11.17 C ATOM 1253 OD1 ASN A 164 32.755 0.558 3.302 1.00 12.59 O ATOM 1254 ND2 ASN A 164 31.279 2.001 2.390 1.00 11.10 N ATOM 1255 N GLU A 165 35.378 -0.185 -0.535 1.00 12.65 N ATOM 1256 CA GLU A 165 35.922 -0.564 -1.852 1.00 14.49 C ATOM 1257 C GLU A 165 35.026 -0.022 -2.962 1.00 14.69 C ATOM 1258 O GLU A 165 33.784 0.100 -2.815 1.00 14.56 O ATOM 1259 CB GLU A 165 36.016 -2.086 -1.955 1.00 14.62 C ATOM 1260 CG GLU A 165 34.661 -2.790 -1.895 1.00 19.09 C ATOM 1261 CD GLU A 165 34.767 -4.294 -2.020 1.00 26.46 C ATOM 1262 OE1 GLU A 165 35.596 -4.782 -2.843 1.00 27.35 O ATOM 1263 OE2 GLU A 165 34.048 -4.982 -1.257 1.00 30.42 O ATOM 1264 N ARG A 166 35.611 0.358 -4.092 1.00 13.76 N ATOM 1265 CA ARG A 166 34.794 0.756 -5.214 1.00 15.12 C ATOM 1266 C ARG A 166 34.056 -0.443 -5.771 1.00 16.22 C ATOM 1267 O ARG A 166 34.653 -1.516 -5.983 1.00 17.84 O ATOM 1268 CB ARG A 166 35.672 1.287 -6.333 1.00 14.19 C ATOM 1269 CG ARG A 166 36.437 2.527 -5.932 1.00 14.02 C ATOM 1270 CD ARG A 166 35.583 3.665 -5.486 1.00 13.32 C ATOM 1271 NE ARG A 166 35.368 3.615 -4.015 1.00 13.41 N ATOM 1272 CZ ARG A 166 34.675 4.532 -3.350 1.00 14.51 C ATOM 1273 NH1 ARG A 166 34.109 5.520 -4.025 1.00 16.27 N ATOM 1274 NH2 ARG A 166 34.533 4.453 -2.013 1.00 15.62 N ATOM 1275 N ILE A 167 32.768 -0.233 -6.044 1.00 15.59 N ATOM 1276 CA ILE A 167 31.904 -1.211 -6.672 1.00 17.51 C ATOM 1277 C ILE A 167 31.998 -0.699 -8.152 1.00 18.10 C ATOM 1278 O ILE A 167 31.987 0.463 -8.412 1.00 20.54 O ATOM 1279 CB ILE A 167 30.436 -0.982 -6.119 1.00 16.99 C ATOM 1280 CG1 ILE A 167 30.342 -1.274 -4.624 1.00 22.57 C ATOM 1281 CG2 ILE A 167 29.406 -1.786 -6.911 1.00 20.53 C ATOM 1282 CD1 ILE A 167 28.890 -1.036 -4.085 1.00 22.86 C ATOM 1283 N GLY A 168 32.081 -1.548 -9.109 1.00 19.91 N ATOM 1284 CA GLY A 168 32.107 -1.014 -10.448 1.00 16.64 C ATOM 1285 C GLY A 168 30.708 -0.523 -10.758 1.00 16.02 C ATOM 1286 O GLY A 168 30.507 0.574 -11.328 1.00 15.28 O ATOM 1287 N ARG A 169 29.754 -1.385 -10.416 1.00 13.71 N ATOM 1288 CA ARG A 169 28.323 -1.048 -10.529 1.00 12.75 C ATOM 1289 C ARG A 169 27.601 -2.080 -9.695 1.00 13.29 C ATOM 1290 O ARG A 169 27.993 -3.244 -9.685 1.00 14.68 O ATOM 1291 CB ARG A 169 27.850 -1.254 -11.992 1.00 12.87 C ATOM 1292 CG ARG A 169 26.416 -0.855 -12.240 1.00 12.66 C ATOM 1293 CD ARG A 169 25.813 -1.448 -13.586 1.00 12.67 C ATOM 1294 NE ARG A 169 25.899 -2.917 -13.623 1.00 12.81 N ATOM 1295 CZ ARG A 169 26.759 -3.606 -14.391 1.00 13.50 C ATOM 1296 NH1 ARG A 169 27.574 -2.946 -15.201 1.00 15.22 N ATOM 1297 NH2 ARG A 169 26.787 -4.939 -14.358 1.00 14.88 N ATOM 1298 N GLY A 170 26.533 -1.645 -8.999 1.00 11.60 N ATOM 1299 CA GLY A 170 25.748 -2.580 -8.211 1.00 11.81 C ATOM 1300 C GLY A 170 25.575 -2.142 -6.784 1.00 11.08 C ATOM 1301 O GLY A 170 25.657 -0.960 -6.457 1.00 12.69 O ATOM 1302 N THR A 171 25.315 -3.129 -5.929 1.00 10.25 N ATOM 1303 CA THR A 171 24.936 -2.776 -4.565 1.00 11.12 C ATOM 1304 C THR A 171 25.505 -3.827 -3.617 1.00 11.28 C ATOM 1305 O THR A 171 25.513 -5.023 -3.915 1.00 12.20 O ATOM 1306 CB THR A 171 23.393 -2.853 -4.494 1.00 12.08 C ATOM 1307 OG1 THR A 171 22.816 -1.800 -5.313 1.00 11.85 O ATOM 1308 CG2 THR A 171 22.878 -2.566 -3.082 1.00 13.21 C ATOM 1309 N ILE A 172 25.927 -3.354 -2.439 1.00 10.31 N ATOM 1310 CA ILE A 172 26.300 -4.243 -1.335 1.00 10.95 C ATOM 1311 C ILE A 172 25.370 -3.966 -0.173 1.00 10.69 C ATOM 1312 O ILE A 172 25.225 -2.813 0.247 1.00 11.91 O ATOM 1313 CB ILE A 172 27.700 -3.917 -0.848 1.00 11.22 C ATOM 1314 CG1 ILE A 172 28.695 -4.250 -1.965 1.00 11.78 C ATOM 1315 CG2 ILE A 172 28.044 -4.796 0.398 1.00 12.79 C ATOM 1316 CD1 ILE A 172 30.176 -3.871 -1.634 1.00 15.37 C ATOM 1317 N LEU A 173 24.756 -5.009 0.356 1.00 10.88 N ATOM 1318 CA LEU A 173 24.007 -4.907 1.585 1.00 11.32 C ATOM 1319 C LEU A 173 24.973 -5.427 2.638 1.00 10.85 C ATOM 1320 O LEU A 173 25.332 -6.609 2.619 1.00 12.64 O ATOM 1321 CB LEU A 173 22.755 -5.791 1.531 1.00 11.03 C ATOM 1322 CG LEU A 173 21.487 -4.991 1.193 1.00 12.32 C ATOM 1323 CD1 LEU A 173 21.559 -4.418 -0.201 1.00 14.11 C ATOM 1324 CD2 LEU A 173 20.321 -5.971 1.309 1.00 13.62 C ATOM 1325 N ARG A 174 25.363 -4.547 3.554 1.00 10.22 N ATOM 1326 CA ARG A 174 26.299 -4.924 4.608 1.00 11.54 C ATOM 1327 C ARG A 174 25.463 -5.038 5.887 1.00 10.89 C ATOM 1328 O ARG A 174 25.007 -4.024 6.438 1.00 11.44 O ATOM 1329 CB ARG A 174 27.417 -3.877 4.718 1.00 10.94 C ATOM 1330 CG ARG A 174 28.383 -4.128 5.942 1.00 11.31 C ATOM 1331 CD ARG A 174 29.438 -3.065 6.014 1.00 11.90 C ATOM 1332 NE ARG A 174 30.352 -3.153 4.857 1.00 11.17 N ATOM 1333 CZ ARG A 174 31.107 -2.146 4.433 1.00 11.79 C ATOM 1334 NH1 ARG A 174 30.986 -0.933 5.000 1.00 13.28 N ATOM 1335 NH2 ARG A 174 31.974 -2.390 3.420 1.00 11.72 N ATOM 1336 N LEU A 175 25.268 -6.281 6.338 1.00 11.00 N ATOM 1337 CA LEU A 175 24.378 -6.575 7.475 1.00 11.72 C ATOM 1338 C LEU A 175 25.256 -6.706 8.709 1.00 11.91 C ATOM 1339 O LEU A 175 26.235 -7.463 8.701 1.00 13.39 O ATOM 1340 CB LEU A 175 23.653 -7.907 7.267 1.00 12.19 C ATOM 1341 CG LEU A 175 22.823 -8.055 5.996 1.00 15.78 C ATOM 1342 CD1 LEU A 175 21.923 -9.283 6.271 1.00 16.90 C ATOM 1343 CD2 LEU A 175 21.992 -6.894 5.638 1.00 17.48 C ATOM 1344 N PHE A 176 24.916 -5.927 9.736 1.00 12.89 N ATOM 1345 CA PHE A 176 25.616 -6.076 11.026 1.00 13.38 C ATOM 1346 C PHE A 176 24.753 -6.999 11.838 1.00 14.40 C ATOM 1347 O PHE A 176 23.688 -6.629 12.339 1.00 14.72 O ATOM 1348 CB PHE A 176 25.786 -4.719 11.687 1.00 14.28 C ATOM 1349 CG PHE A 176 26.679 -3.787 10.905 1.00 15.59 C ATOM 1350 CD1 PHE A 176 26.176 -3.064 9.849 1.00 13.59 C ATOM 1351 CD2 PHE A 176 28.021 -3.643 11.241 1.00 16.41 C ATOM 1352 CE1 PHE A 176 27.004 -2.238 9.106 1.00 15.77 C ATOM 1353 CE2 PHE A 176 28.869 -2.805 10.525 1.00 18.31 C ATOM 1354 CZ PHE A 176 28.342 -2.077 9.447 1.00 15.80 C ATOM 1355 N LEU A 177 25.203 -8.238 11.920 1.00 14.60 N ATOM 1356 CA LEU A 177 24.423 -9.300 12.531 1.00 14.77 C ATOM 1357 C LEU A 177 24.225 -9.138 14.033 1.00 15.75 C ATOM 1358 O LEU A 177 25.103 -8.676 14.760 1.00 16.26 O ATOM 1359 CB LEU A 177 25.099 -10.631 12.234 1.00 15.17 C ATOM 1360 CG LEU A 177 25.171 -11.070 10.771 1.00 15.43 C ATOM 1361 CD1 LEU A 177 25.866 -12.458 10.708 1.00 19.53 C ATOM 1362 CD2 LEU A 177 23.823 -11.186 10.067 1.00 16.38 C ATOM 1363 N LYS A 178 23.037 -9.540 14.459 1.00 16.17 N ATOM 1364 CA LYS A 178 22.733 -9.594 15.912 1.00 18.03 C ATOM 1365 C LYS A 178 23.618 -10.647 16.571 1.00 19.55 C ATOM 1366 O LYS A 178 23.992 -11.614 15.945 1.00 19.64 O ATOM 1367 CB LYS A 178 21.282 -9.978 16.107 1.00 18.01 C ATOM 1368 CG LYS A 178 20.278 -8.938 15.624 1.00 17.30 C ATOM 1369 CD LYS A 178 18.885 -9.556 15.559 1.00 15.68 C ATOM 1370 CE LYS A 178 17.796 -8.529 15.399 1.00 18.54 C ATOM 1371 NZ LYS A 178 16.381 -9.113 15.295 1.00 17.82 N ATOM 1372 N ASP A 179 23.871 -10.481 17.862 1.00 22.26 N ATOM 1373 CA ASP A 179 24.811 -11.372 18.561 1.00 25.69 C ATOM 1374 C ASP A 179 24.383 -12.833 18.593 1.00 26.32 C ATOM 1375 O ASP A 179 25.235 -13.734 18.717 1.00 26.73 O ATOM 1376 CB ASP A 179 25.031 -10.873 19.988 1.00 26.97 C ATOM 1377 CG ASP A 179 26.019 -9.756 20.060 1.00 32.62 C ATOM 1378 OD1 ASP A 179 26.803 -9.622 19.099 1.00 34.82 O ATOM 1379 OD2 ASP A 179 26.091 -8.966 21.023 1.00 38.46 O ATOM 1380 N ASP A 180 23.088 -13.095 18.464 1.00 26.82 N ATOM 1381 CA ASP A 180 22.637 -14.471 18.489 1.00 27.71 C ATOM 1382 C ASP A 180 22.365 -15.026 17.105 1.00 26.39 C ATOM 1383 O ASP A 180 21.808 -16.111 16.951 1.00 25.25 O ATOM 1384 CB ASP A 180 21.413 -14.618 19.394 1.00 29.28 C ATOM 1385 CG ASP A 180 20.174 -14.010 18.804 1.00 33.69 C ATOM 1386 OD1 ASP A 180 20.268 -12.943 18.160 1.00 34.86 O ATOM 1387 OD2 ASP A 180 19.044 -14.525 18.948 1.00 40.63 O ATOM 1388 N GLN A 181 22.789 -14.294 16.066 1.00 24.20 N ATOM 1389 CA GLN A 181 22.552 -14.768 14.727 1.00 24.10 C ATOM 1390 C GLN A 181 23.860 -14.949 13.965 1.00 24.09 C ATOM 1391 O GLN A 181 23.862 -14.929 12.738 1.00 24.15 O ATOM 1392 CB GLN A 181 21.621 -13.794 13.957 1.00 22.71 C ATOM 1393 CG GLN A 181 20.299 -13.572 14.629 1.00 24.69 C ATOM 1394 CD GLN A 181 19.468 -14.827 14.708 1.00 24.79 C ATOM 1395 OE1 GLN A 181 19.446 -15.638 13.789 1.00 25.92 O ATOM 1396 NE2 GLN A 181 18.741 -14.970 15.820 1.00 27.75 N ATOM 1397 N LEU A 182 24.950 -15.203 14.688 1.00 24.19 N ATOM 1398 CA LEU A 182 26.232 -15.342 14.021 1.00 23.90 C ATOM 1399 C LEU A 182 26.367 -16.613 13.204 1.00 23.75 C ATOM 1400 O LEU A 182 27.361 -16.808 12.512 1.00 23.12 O ATOM 1401 CB LEU A 182 27.382 -15.186 15.012 1.00 24.53 C ATOM 1402 CG LEU A 182 27.338 -13.899 15.822 1.00 25.60 C ATOM 1403 CD1 LEU A 182 28.549 -13.788 16.696 1.00 26.28 C ATOM 1404 CD2 LEU A 182 27.270 -12.683 14.827 1.00 26.82 C ATOM 1405 N GLU A 183 25.369 -17.493 13.246 1.00 22.60 N ATOM 1406 CA GLU A 183 25.490 -18.695 12.437 1.00 21.74 C ATOM 1407 C GLU A 183 25.550 -18.346 10.951 1.00 21.94 C ATOM 1408 O GLU A 183 25.972 -19.138 10.116 1.00 20.97 O ATOM 1409 CB GLU A 183 24.284 -19.631 12.687 1.00 22.81 C ATOM 1410 CG GLU A 183 22.952 -19.030 12.254 1.00 22.91 C ATOM 1411 CD GLU A 183 21.726 -19.856 12.736 1.00 22.62 C ATOM 1412 OE1 GLU A 183 21.387 -19.653 13.921 1.00 27.68 O ATOM 1413 OE2 GLU A 183 21.136 -20.627 11.951 1.00 25.34 O ATOM 1414 N TYR A 184 25.049 -17.158 10.616 1.00 20.91 N ATOM 1415 CA TYR A 184 25.007 -16.803 9.208 1.00 21.03 C ATOM 1416 C TYR A 184 26.342 -16.333 8.692 1.00 22.08 C ATOM 1417 O TYR A 184 26.411 -15.858 7.557 1.00 22.28 O ATOM 1418 CB TYR A 184 23.883 -15.778 8.920 1.00 19.57 C ATOM 1419 CG TYR A 184 22.557 -16.401 9.264 1.00 18.59 C ATOM 1420 CD1 TYR A 184 21.855 -16.011 10.402 1.00 19.58 C ATOM 1421 CD2 TYR A 184 22.051 -17.436 8.500 1.00 17.34 C ATOM 1422 CE1 TYR A 184 20.643 -16.674 10.768 1.00 19.52 C ATOM 1423 CE2 TYR A 184 20.863 -18.093 8.828 1.00 19.74 C ATOM 1424 CZ TYR A 184 20.156 -17.689 9.972 1.00 21.83 C ATOM 1425 OH TYR A 184 18.989 -18.366 10.311 1.00 21.51 O ATOM 1426 N LEU A 185 27.370 -16.428 9.522 1.00 21.86 N ATOM 1427 CA LEU A 185 28.764 -16.187 9.101 1.00 22.26 C ATOM 1428 C LEU A 185 29.407 -17.489 8.659 1.00 24.03 C ATOM 1429 O LEU A 185 30.464 -17.500 8.037 1.00 24.03 O ATOM 1430 CB LEU A 185 29.597 -15.607 10.242 1.00 23.19 C ATOM 1431 CG LEU A 185 29.202 -14.242 10.801 1.00 22.47 C ATOM 1432 CD1 LEU A 185 29.972 -13.928 12.078 1.00 24.83 C ATOM 1433 CD2 LEU A 185 29.417 -13.144 9.753 1.00 23.98 C ATOM 1434 N GLU A 186 28.779 -18.605 8.998 1.00 23.84 N ATOM 1435 CA GLU A 186 29.375 -19.906 8.679 1.00 24.98 C ATOM 1436 C GLU A 186 29.098 -20.443 7.268 1.00 23.62 C ATOM 1437 O GLU A 186 27.959 -20.513 6.776 1.00 23.62 O ATOM 1438 CB GLU A 186 28.893 -20.924 9.718 1.00 24.45 C ATOM 1439 CG GLU A 186 29.200 -20.572 11.159 1.00 29.99 C ATOM 1440 CD GLU A 186 28.417 -21.465 12.118 1.00 35.36 C ATOM 1441 OE1 GLU A 186 27.623 -22.327 11.661 1.00 37.91 O ATOM 1442 OE2 GLU A 186 28.605 -21.289 13.336 1.00 40.41 O ATOM 1443 N GLU A 187 30.157 -20.911 6.606 1.00 24.73 N ATOM 1444 CA GLU A 187 30.053 -21.429 5.264 1.00 23.89 C ATOM 1445 C GLU A 187 28.987 -22.493 5.056 1.00 24.37 C ATOM 1446 O GLU A 187 28.227 -22.447 4.110 1.00 24.09 O ATOM 1447 CB GLU A 187 31.430 -22.006 4.829 1.00 24.81 C ATOM 1448 CG GLU A 187 31.413 -22.699 3.486 1.00 26.69 C ATOM 1449 CD GLU A 187 32.790 -23.256 3.073 1.00 24.13 C ATOM 1450 OE1 GLU A 187 33.662 -23.355 3.965 1.00 30.45 O ATOM 1451 OE2 GLU A 187 32.978 -23.572 1.881 1.00 28.81 O ATOM 1452 N LYS A 188 28.968 -23.485 5.936 1.00 24.97 N ATOM 1453 CA LYS A 188 28.039 -24.587 5.769 1.00 25.73 C ATOM 1454 C LYS A 188 26.578 -24.114 5.898 1.00 24.13 C ATOM 1455 O LYS A 188 25.727 -24.483 5.089 1.00 25.46 O ATOM 1456 CB LYS A 188 28.363 -25.679 6.795 1.00 26.22 C ATOM 1457 CG LYS A 188 27.519 -26.921 6.673 1.00 30.35 C ATOM 1458 N ARG A 189 26.344 -23.246 6.872 1.00 24.94 N ATOM 1459 CA ARG A 189 25.009 -22.692 7.104 1.00 24.59 C ATOM 1460 C ARG A 189 24.530 -21.875 5.902 1.00 24.04 C ATOM 1461 O ARG A 189 23.431 -22.067 5.378 1.00 24.27 O ATOM 1462 CB ARG A 189 25.006 -21.834 8.356 1.00 24.34 C ATOM 1463 CG ARG A 189 23.608 -21.322 8.694 1.00 23.56 C ATOM 1464 CD ARG A 189 22.629 -22.427 9.164 1.00 25.79 C ATOM 1465 NE ARG A 189 21.376 -21.808 9.644 1.00 23.93 N ATOM 1466 CZ ARG A 189 20.168 -22.072 9.180 1.00 24.40 C ATOM 1467 NH1 ARG A 189 19.967 -22.969 8.221 1.00 26.80 N ATOM 1468 NH2 ARG A 189 19.132 -21.410 9.698 1.00 25.67 N ATOM 1469 N ILE A 190 25.385 -20.968 5.434 1.00 24.14 N ATOM 1470 CA ILE A 190 25.010 -20.194 4.249 1.00 23.19 C ATOM 1471 C ILE A 190 24.672 -21.042 3.042 1.00 23.92 C ATOM 1472 O ILE A 190 23.657 -20.851 2.393 1.00 22.40 O ATOM 1473 CB ILE A 190 26.137 -19.188 3.884 1.00 23.13 C ATOM 1474 CG1 ILE A 190 26.387 -18.211 5.016 1.00 23.83 C ATOM 1475 CG2 ILE A 190 25.834 -18.506 2.535 1.00 22.53 C ATOM 1476 CD1 ILE A 190 27.700 -17.469 4.845 1.00 24.47 C ATOM 1477 N LYS A 191 25.509 -22.046 2.723 1.00 24.16 N ATOM 1478 CA LYS A 191 25.239 -22.839 1.552 1.00 25.09 C ATOM 1479 C LYS A 191 23.919 -23.593 1.723 1.00 24.29 C ATOM 1480 O LYS A 191 23.192 -23.820 0.752 1.00 24.93 O ATOM 1481 CB LYS A 191 26.330 -23.920 1.353 1.00 24.97 C ATOM 1482 CG LYS A 191 27.699 -23.336 1.042 1.00 28.60 C ATOM 1483 CD LYS A 191 28.682 -24.431 0.591 1.00 35.41 C ATOM 1484 CE LYS A 191 29.954 -23.737 0.171 1.00 39.40 C ATOM 1485 NZ LYS A 191 31.007 -24.749 -0.092 1.00 45.73 N ATOM 1486 N GLU A 192 23.634 -24.021 2.954 1.00 25.29 N ATOM 1487 CA GLU A 192 22.424 -24.776 3.232 1.00 26.36 C ATOM 1488 C GLU A 192 21.184 -23.917 3.007 1.00 25.26 C ATOM 1489 O GLU A 192 20.188 -24.365 2.427 1.00 25.34 O ATOM 1490 CB GLU A 192 22.462 -25.289 4.670 1.00 26.92 C ATOM 1491 CG GLU A 192 21.098 -25.705 5.169 1.00 34.28 C ATOM 1492 CD GLU A 192 21.158 -26.290 6.550 1.00 42.57 C ATOM 1493 OE1 GLU A 192 22.291 -26.373 7.108 1.00 47.52 O ATOM 1494 OE2 GLU A 192 20.074 -26.686 7.048 1.00 47.47 O ATOM 1495 N VAL A 193 21.271 -22.659 3.435 1.00 24.16 N ATOM 1496 CA VAL A 193 20.135 -21.741 3.257 1.00 23.42 C ATOM 1497 C VAL A 193 19.855 -21.405 1.791 1.00 23.67 C ATOM 1498 O VAL A 193 18.701 -21.387 1.361 1.00 23.95 O ATOM 1499 CB VAL A 193 20.322 -20.475 4.141 1.00 23.01 C ATOM 1500 CG1 VAL A 193 19.213 -19.446 3.923 1.00 22.68 C ATOM 1501 CG2 VAL A 193 20.388 -20.877 5.612 1.00 22.76 C ATOM 1502 N ILE A 194 20.917 -21.169 1.028 1.00 24.02 N ATOM 1503 CA ILE A 194 20.809 -20.862 -0.398 1.00 26.36 C ATOM 1504 C ILE A 194 20.224 -22.003 -1.163 1.00 26.80 C ATOM 1505 O ILE A 194 19.315 -21.841 -1.947 1.00 27.19 O ATOM 1506 CB ILE A 194 22.230 -20.559 -0.979 1.00 26.21 C ATOM 1507 CG1 ILE A 194 22.781 -19.267 -0.392 1.00 28.15 C ATOM 1508 CG2 ILE A 194 22.195 -20.516 -2.495 1.00 26.98 C ATOM 1509 CD1 ILE A 194 24.237 -19.040 -0.752 1.00 28.63 C ATOM 1510 N LYS A 195 20.740 -23.205 -0.905 1.00 28.45 N ATOM 1511 CA LYS A 195 20.309 -24.360 -1.661 1.00 29.81 C ATOM 1512 C LYS A 195 18.847 -24.618 -1.424 1.00 29.82 C ATOM 1513 O LYS A 195 18.135 -25.065 -2.305 1.00 31.00 O ATOM 1514 CB LYS A 195 21.129 -25.609 -1.286 1.00 29.69 C ATOM 1515 CG LYS A 195 22.578 -25.578 -1.770 1.00 32.97 C ATOM 1516 CD LYS A 195 23.380 -26.742 -1.178 1.00 37.32 C ATOM 1517 N ARG A 196 18.385 -24.267 -0.232 1.00 30.12 N ATOM 1518 CA ARG A 196 17.006 -24.529 0.141 1.00 30.52 C ATOM 1519 C ARG A 196 15.973 -23.621 -0.514 1.00 31.15 C ATOM 1520 O ARG A 196 14.962 -24.078 -1.040 1.00 31.18 O ATOM 1521 CB ARG A 196 16.852 -24.444 1.662 1.00 30.84 C ATOM 1522 N HIS A 197 16.213 -22.320 -0.472 1.00 31.30 N ATOM 1523 CA HIS A 197 15.170 -21.381 -0.865 1.00 32.02 C ATOM 1524 C HIS A 197 15.467 -20.595 -2.109 1.00 31.68 C ATOM 1525 O HIS A 197 14.626 -19.822 -2.533 1.00 33.03 O ATOM 1526 CB HIS A 197 14.874 -20.378 0.267 1.00 32.30 C ATOM 1527 CG HIS A 197 14.333 -20.999 1.516 1.00 34.55 C ATOM 1528 ND1 HIS A 197 13.022 -21.410 1.637 1.00 35.22 N ATOM 1529 CD2 HIS A 197 14.925 -21.278 2.702 1.00 36.14 C ATOM 1530 CE1 HIS A 197 12.831 -21.923 2.840 1.00 36.60 C ATOM 1531 NE2 HIS A 197 13.970 -21.860 3.505 1.00 36.96 N ATOM 1532 N SER A 198 16.639 -20.770 -2.711 1.00 31.20 N ATOM 1533 CA SER A 198 16.951 -20.003 -3.917 1.00 30.12 C ATOM 1534 C SER A 198 17.495 -20.879 -5.031 1.00 31.02 C ATOM 1535 O SER A 198 18.578 -20.606 -5.497 1.00 31.93 O ATOM 1536 CB SER A 198 18.002 -18.890 -3.621 1.00 29.93 C ATOM 1537 OG SER A 198 17.649 -18.037 -2.528 1.00 26.42 O ATOM 1538 N GLU A 199 16.734 -21.883 -5.502 1.00 30.63 N ATOM 1539 CA GLU A 199 17.214 -22.832 -6.546 1.00 30.48 C ATOM 1540 C GLU A 199 17.195 -22.336 -8.020 1.00 29.62 C ATOM 1541 O GLU A 199 17.976 -22.780 -8.886 1.00 31.63 O ATOM 1542 CB GLU A 199 16.366 -24.121 -6.487 1.00 31.88 C ATOM 1543 CG GLU A 199 16.629 -25.095 -7.643 1.00 34.43 C ATOM 1544 CD GLU A 199 15.748 -26.356 -7.634 1.00 39.72 C ATOM 1545 OE1 GLU A 199 14.844 -26.482 -6.777 1.00 42.24 O ATOM 1546 OE2 GLU A 199 15.955 -27.232 -8.507 1.00 42.99 O ATOM 1547 N PHE A 200 16.284 -21.437 -8.317 1.00 26.88 N ATOM 1548 CA PHE A 200 16.134 -20.992 -9.694 1.00 23.59 C ATOM 1549 C PHE A 200 16.568 -19.563 -9.844 1.00 22.93 C ATOM 1550 O PHE A 200 15.766 -18.696 -10.127 1.00 23.77 O ATOM 1551 CB PHE A 200 14.660 -21.137 -10.081 1.00 23.63 C ATOM 1552 CG PHE A 200 14.217 -22.567 -10.135 1.00 22.76 C ATOM 1553 CD1 PHE A 200 13.454 -23.104 -9.134 1.00 23.96 C ATOM 1554 CD2 PHE A 200 14.618 -23.384 -11.182 1.00 24.90 C ATOM 1555 CE1 PHE A 200 13.069 -24.460 -9.192 1.00 25.09 C ATOM 1556 CE2 PHE A 200 14.240 -24.716 -11.235 1.00 26.56 C ATOM 1557 CZ PHE A 200 13.465 -25.241 -10.249 1.00 25.49 C ATOM 1558 N VAL A 201 17.860 -19.337 -9.700 1.00 21.72 N ATOM 1559 CA VAL A 201 18.432 -18.003 -9.837 1.00 22.07 C ATOM 1560 C VAL A 201 19.265 -18.052 -11.097 1.00 22.48 C ATOM 1561 O VAL A 201 20.046 -18.978 -11.283 1.00 23.25 O ATOM 1562 CB VAL A 201 19.287 -17.682 -8.578 1.00 22.22 C ATOM 1563 CG1 VAL A 201 20.004 -16.346 -8.707 1.00 21.83 C ATOM 1564 CG2 VAL A 201 18.408 -17.689 -7.341 1.00 22.06 C ATOM 1565 N ALA A 202 19.106 -17.074 -11.972 1.00 20.94 N ATOM 1566 CA ALA A 202 19.748 -17.091 -13.278 1.00 21.82 C ATOM 1567 C ALA A 202 21.225 -16.709 -13.245 1.00 22.43 C ATOM 1568 O ALA A 202 21.946 -16.934 -14.216 1.00 24.86 O ATOM 1569 CB ALA A 202 18.992 -16.198 -14.251 1.00 21.73 C ATOM 1570 N TYR A 203 21.686 -16.186 -12.110 1.00 20.88 N ATOM 1571 CA TYR A 203 23.050 -15.656 -11.979 1.00 19.83 C ATOM 1572 C TYR A 203 23.854 -16.507 -11.027 1.00 18.78 C ATOM 1573 O TYR A 203 23.291 -17.098 -10.134 1.00 19.67 O ATOM 1574 CB TYR A 203 22.945 -14.230 -11.410 1.00 19.91 C ATOM 1575 CG TYR A 203 22.028 -13.380 -12.257 1.00 17.36 C ATOM 1576 CD1 TYR A 203 20.700 -13.152 -11.894 1.00 15.52 C ATOM 1577 CD2 TYR A 203 22.465 -12.864 -13.463 1.00 17.57 C ATOM 1578 CE1 TYR A 203 19.858 -12.405 -12.692 1.00 16.81 C ATOM 1579 CE2 TYR A 203 21.652 -12.163 -14.274 1.00 18.19 C ATOM 1580 CZ TYR A 203 20.319 -11.887 -13.884 1.00 15.49 C ATOM 1581 OH TYR A 203 19.496 -11.146 -14.692 1.00 18.93 O ATOM 1582 N PRO A 204 25.181 -16.554 -11.169 1.00 18.13 N ATOM 1583 CA PRO A 204 26.001 -17.326 -10.245 1.00 17.89 C ATOM 1584 C PRO A 204 25.905 -16.718 -8.864 1.00 17.11 C ATOM 1585 O PRO A 204 25.905 -15.480 -8.771 1.00 18.55 O ATOM 1586 CB PRO A 204 27.440 -17.120 -10.766 1.00 19.77 C ATOM 1587 CG PRO A 204 27.373 -16.070 -11.818 1.00 20.03 C ATOM 1588 CD PRO A 204 25.961 -15.878 -12.211 1.00 17.78 C ATOM 1589 N ILE A 205 25.792 -17.566 -7.855 1.00 17.36 N ATOM 1590 CA ILE A 205 25.810 -17.109 -6.472 1.00 16.75 C ATOM 1591 C ILE A 205 27.160 -17.562 -5.917 1.00 18.22 C ATOM 1592 O ILE A 205 27.458 -18.775 -5.829 1.00 19.73 O ATOM 1593 CB ILE A 205 24.634 -17.685 -5.663 1.00 17.09 C ATOM 1594 CG1 ILE A 205 23.309 -17.189 -6.240 1.00 18.02 C ATOM 1595 CG2 ILE A 205 24.783 -17.265 -4.190 1.00 19.57 C ATOM 1596 CD1 ILE A 205 22.083 -17.827 -5.600 1.00 17.84 C ATOM 1597 N GLN A 206 28.023 -16.594 -5.648 1.00 16.15 N ATOM 1598 CA GLN A 206 29.388 -16.853 -5.190 1.00 15.78 C ATOM 1599 C GLN A 206 29.480 -16.696 -3.696 1.00 17.50 C ATOM 1600 O GLN A 206 28.876 -15.790 -3.120 1.00 18.41 O ATOM 1601 CB GLN A 206 30.333 -15.850 -5.867 1.00 15.65 C ATOM 1602 CG GLN A 206 30.303 -15.987 -7.365 1.00 18.97 C ATOM 1603 CD GLN A 206 31.011 -14.893 -8.094 1.00 23.00 C ATOM 1604 OE1 GLN A 206 31.338 -13.866 -7.526 1.00 22.61 O ATOM 1605 NE2 GLN A 206 31.241 -15.102 -9.390 1.00 27.66 N ATOM 1606 N LEU A 207 30.228 -17.581 -3.041 1.00 16.00 N ATOM 1607 CA LEU A 207 30.426 -17.500 -1.612 1.00 15.46 C ATOM 1608 C LEU A 207 31.925 -17.327 -1.397 1.00 16.12 C ATOM 1609 O LEU A 207 32.731 -18.086 -1.938 1.00 16.52 O ATOM 1610 CB LEU A 207 29.940 -18.752 -0.873 1.00 16.44 C ATOM 1611 CG LEU A 207 30.187 -18.793 0.630 1.00 18.88 C ATOM 1612 CD1 LEU A 207 29.480 -17.631 1.321 1.00 17.94 C ATOM 1613 CD2 LEU A 207 29.738 -20.133 1.215 1.00 23.10 C ATOM 1614 N VAL A 208 32.280 -16.280 -0.662 1.00 14.72 N ATOM 1615 CA VAL A 208 33.667 -15.925 -0.407 1.00 16.89 C ATOM 1616 C VAL A 208 34.009 -16.453 0.958 1.00 18.46 C ATOM 1617 O VAL A 208 33.405 -16.106 1.967 1.00 20.57 O ATOM 1618 CB VAL A 208 33.865 -14.417 -0.420 1.00 16.76 C ATOM 1619 CG1 VAL A 208 35.337 -14.062 -0.102 1.00 18.10 C ATOM 1620 CG2 VAL A 208 33.439 -13.856 -1.742 1.00 16.87 C ATOM 1621 N VAL A 209 34.938 -17.398 0.953 1.00 18.67 N ATOM 1622 CA VAL A 209 35.324 -18.140 2.143 1.00 20.96 C ATOM 1623 C VAL A 209 36.781 -17.880 2.423 1.00 20.78 C ATOM 1624 O VAL A 209 37.614 -17.883 1.515 1.00 19.48 O ATOM 1625 CB VAL A 209 35.129 -19.662 1.934 1.00 22.02 C ATOM 1626 CG1 VAL A 209 35.595 -20.457 3.151 1.00 24.99 C ATOM 1627 CG2 VAL A 209 33.678 -20.002 1.614 1.00 25.29 C ATOM 1628 N THR A 210 37.087 -17.630 3.685 1.00 22.10 N ATOM 1629 CA THR A 210 38.453 -17.347 4.073 1.00 24.71 C ATOM 1630 C THR A 210 38.948 -18.522 4.879 1.00 26.51 C ATOM 1631 O THR A 210 38.313 -18.890 5.881 1.00 28.31 O ATOM 1632 CB THR A 210 38.465 -16.058 4.913 1.00 24.35 C ATOM 1633 OG1 THR A 210 38.021 -14.953 4.116 1.00 27.27 O ATOM 1634 CG2 THR A 210 39.896 -15.664 5.290 1.00 26.08 C ATOM 1635 N LYS A 211 40.055 -19.127 4.459 1.00 27.01 N ATOM 1636 CA LYS A 211 40.613 -20.247 5.212 1.00 28.91 C ATOM 1637 C LYS A 211 42.111 -20.182 5.416 1.00 28.24 C ATOM 1638 O LYS A 211 42.858 -19.699 4.576 1.00 25.93 O ATOM 1639 CB LYS A 211 40.305 -21.563 4.536 1.00 29.59 C ATOM 1640 CG LYS A 211 41.080 -21.771 3.281 1.00 34.09 C ATOM 1641 CD LYS A 211 40.475 -22.924 2.489 1.00 40.10 C ATOM 1642 CE LYS A 211 41.184 -23.109 1.171 1.00 41.95 C ATOM 1643 NZ LYS A 211 41.722 -21.833 0.641 1.00 42.46 N ATOM 1644 N GLU A 212 42.537 -20.773 6.526 1.00 28.21 N ATOM 1645 CA GLU A 212 43.942 -20.751 6.879 1.00 28.49 C ATOM 1646 C GLU A 212 44.720 -21.797 6.103 1.00 28.75 C ATOM 1647 O GLU A 212 44.278 -22.945 5.925 1.00 28.90 O ATOM 1648 CB GLU A 212 44.126 -20.916 8.389 1.00 28.83 C ATOM 1649 CG GLU A 212 45.576 -20.737 8.777 1.00 32.00 C ATOM 1650 CD GLU A 212 45.821 -20.798 10.269 1.00 36.29 C ATOM 1651 OE1 GLU A 212 44.870 -20.592 11.065 1.00 37.08 O ATOM 1652 OE2 GLU A 212 46.994 -21.050 10.619 1.00 38.37 O ATOM 1653 N VAL A 213 45.864 -21.398 5.575 1.00 28.37 N ATOM 1654 CA VAL A 213 46.685 -22.329 4.853 1.00 30.34 C ATOM 1655 C VAL A 213 47.507 -23.074 5.893 1.00 32.13 C ATOM 1656 O VAL A 213 48.186 -22.459 6.715 1.00 32.70 O ATOM 1657 CB VAL A 213 47.612 -21.610 3.876 1.00 29.56 C ATOM 1658 CG1 VAL A 213 48.610 -22.595 3.292 1.00 31.34 C ATOM 1659 CG2 VAL A 213 46.773 -20.946 2.765 1.00 27.94 C ATOM 1660 N GLU A 214 47.425 -24.396 5.888 1.00 34.34 N ATOM 1661 CA GLU A 214 48.167 -25.166 6.890 1.00 36.09 C ATOM 1662 C GLU A 214 49.322 -25.926 6.250 1.00 37.21 C ATOM 1663 O GLU A 214 50.269 -25.321 5.741 1.00 39.17 O ATOM 1664 CB GLU A 214 47.235 -26.118 7.659 1.00 36.52 C TER 1665 GLU A 214 HETATM 1692 O HOH A2001 33.747 10.121 4.457 1.00 32.57 O HETATM 1693 O HOH A2002 33.709 14.705 5.205 1.00 49.78 O HETATM 1694 O HOH A2003 33.271 8.020 7.785 1.00 58.21 O HETATM 1695 O HOH A2004 27.559 13.039 1.851 1.00 20.69 O HETATM 1696 O HOH A2005 31.138 7.178 5.627 1.00 21.41 O HETATM 1697 O HOH A2006 28.574 13.706 9.058 1.00 46.07 O HETATM 1698 O HOH A2007 28.546 8.223 7.731 1.00 47.90 O HETATM 1699 O HOH A2008 27.013 8.881 9.642 1.00 55.69 O HETATM 1700 O HOH A2009 19.244 16.751 3.298 1.00 47.51 O HETATM 1701 O HOH A2010 23.223 17.640 -0.465 1.00 46.37 O HETATM 1702 O HOH A2011 24.682 12.764 1.192 1.00 20.03 O HETATM 1703 O HOH A2012 20.694 17.297 -0.738 1.00 45.18 O HETATM 1704 O HOH A2013 15.432 15.295 7.785 1.00 58.87 O HETATM 1705 O HOH A2014 21.025 16.212 7.526 1.00 30.86 O HETATM 1706 O HOH A2015 23.312 14.391 9.095 1.00 41.06 O HETATM 1707 O HOH A2016 9.815 12.964 14.033 1.00 44.20 O HETATM 1708 O HOH A2017 13.186 13.501 5.450 1.00 30.26 O HETATM 1709 O HOH A2018 9.626 10.848 4.388 1.00 43.10 O HETATM 1710 O HOH A2019 7.195 -5.599 18.415 1.00 29.96 O HETATM 1711 O HOH A2020 4.979 -2.964 18.647 1.00 43.44 O HETATM 1712 O HOH A2021 7.820 10.702 7.609 1.00 52.23 O HETATM 1713 O HOH A2022 9.742 7.666 10.456 1.00 32.28 O HETATM 1714 O HOH A2023 34.096 -7.584 -21.398 1.00 50.17 O HETATM 1715 O HOH A2024 5.386 9.408 7.348 1.00 29.55 O HETATM 1716 O HOH A2025 16.816 -21.086 12.638 1.00 44.99 O HETATM 1717 O HOH A2026 -0.724 3.653 8.584 1.00 40.42 O HETATM 1718 O HOH A2027 1.970 7.976 7.998 1.00 48.15 O HETATM 1719 O HOH A2028 10.724 -19.006 -0.420 1.00 44.13 O HETATM 1720 O HOH A2029 0.985 6.010 12.113 1.00 24.51 O HETATM 1721 O HOH A2030 0.022 1.730 10.264 1.00 39.49 O HETATM 1722 O HOH A2031 4.293 5.768 13.068 1.00 21.25 O HETATM 1723 O HOH A2032 -0.683 3.969 12.617 1.00 28.82 O HETATM 1724 O HOH A2033 14.080 -9.374 -17.331 1.00 50.80 O HETATM 1725 O HOH A2034 10.771 -10.592 -11.300 1.00 50.97 O HETATM 1726 O HOH A2035 11.590 -0.678 18.374 1.00 54.51 O HETATM 1727 O HOH A2036 7.359 -3.326 17.547 1.00 28.45 O HETATM 1728 O HOH A2037 15.774 2.096 -13.401 1.00 53.74 O HETATM 1729 O HOH A2038 34.291 3.925 7.869 1.00 35.99 O HETATM 1730 O HOH A2039 7.691 -7.873 16.784 1.00 29.87 O HETATM 1731 O HOH A2040 23.338 -9.568 -20.564 1.00 43.52 O HETATM 1732 O HOH A2041 13.676 -10.496 14.803 1.00 19.74 O HETATM 1733 O HOH A2042 10.247 -9.320 21.199 1.00 46.54 O HETATM 1734 O HOH A2043 29.672 -7.656 -21.175 1.00 33.76 O HETATM 1735 O HOH A2044 33.311 -4.878 -21.320 1.00 33.21 O HETATM 1736 O HOH A2045 14.148 -12.319 18.248 1.00 46.87 O HETATM 1737 O HOH A2046 5.842 -9.807 16.214 1.00 53.42 O HETATM 1738 O HOH A2047 26.047 -9.925 -20.577 1.00 44.12 O HETATM 1739 O HOH A2048 28.205 -11.828 -19.169 1.00 51.59 O HETATM 1740 O HOH A2049 7.018 -11.690 18.103 1.00 32.69 O HETATM 1741 O HOH A2050 13.171 -16.808 18.103 1.00 50.75 O HETATM 1742 O HOH A2051 7.630 -18.652 15.001 1.00 35.22 O HETATM 1743 O HOH A2052 36.591 -10.836 -1.292 1.00 25.85 O HETATM 1744 O HOH A2053 34.404 -0.608 6.743 1.00 35.57 O HETATM 1745 O HOH A2054 9.515 -19.777 6.620 1.00 44.50 O HETATM 1746 O HOH A2055 36.848 -10.426 6.341 1.00 47.63 O HETATM 1747 O HOH A2056 32.564 -3.096 10.771 1.00 35.13 O HETATM 1748 O HOH A2057 12.855 -13.652 14.741 1.00 52.07 O HETATM 1749 O HOH A2058 16.136 -11.184 17.442 1.00 28.92 O HETATM 1750 O HOH A2059 36.362 -8.361 1.620 1.00 47.82 O HETATM 1751 O HOH A2060 16.315 -17.988 2.804 1.00 22.44 O HETATM 1752 O HOH A2061 15.822 -20.072 10.246 1.00 27.61 O HETATM 1753 O HOH A2062 20.234 11.327 -9.762 1.00 40.85 O HETATM 1754 O HOH A2063 19.148 13.296 -3.775 1.00 29.51 O HETATM 1755 O HOH A2064 16.311 13.256 -3.672 1.00 36.26 O HETATM 1756 O HOH A2065 11.448 -16.597 0.466 1.00 44.29 O HETATM 1757 O HOH A2066 9.304 -13.992 -1.223 1.00 31.93 O HETATM 1758 O HOH A2067 12.407 -9.516 -1.443 1.00 23.52 O HETATM 1759 O HOH A2068 10.668 -12.597 -2.734 1.00 44.75 O HETATM 1760 O HOH A2069 12.596 -9.431 -5.073 1.00 27.46 O HETATM 1761 O HOH A2070 1.608 -8.482 14.147 1.00 48.32 O HETATM 1762 O HOH A2071 17.201 -15.025 -11.499 1.00 20.13 O HETATM 1763 O HOH A2072 13.549 -11.769 -8.192 1.00 39.83 O HETATM 1764 O HOH A2073 2.818 -18.261 3.819 1.00 31.04 O HETATM 1765 O HOH A2074 5.425 -14.277 14.059 1.00 48.07 O HETATM 1766 O HOH A2075 4.521 -19.472 2.688 1.00 51.72 O HETATM 1767 O HOH A2076 15.026 -11.956 -10.804 1.00 18.48 O HETATM 1768 O HOH A2077 16.542 -9.061 -17.872 1.00 24.53 O HETATM 1769 O HOH A2078 16.235 -13.882 -13.814 1.00 21.51 O HETATM 1770 O HOH A2079 12.907 -9.092 -12.533 1.00 32.28 O HETATM 1771 O HOH A2080 13.357 -13.438 -13.316 1.00 48.14 O HETATM 1772 O HOH A2081 6.007 -7.233 -5.401 1.00 38.88 O HETATM 1773 O HOH A2082 11.234 -4.797 -9.620 1.00 47.29 O HETATM 1774 O HOH A2083 12.365 -7.094 -14.089 1.00 39.72 O HETATM 1775 O HOH A2084 19.449 -10.326 -21.937 1.00 52.16 O HETATM 1776 O HOH A2085 16.931 -8.955 -20.507 1.00 32.52 O HETATM 1777 O HOH A2086 16.367 -1.783 -22.987 1.00 22.01 O HETATM 1778 O HOH A2087 9.857 -6.265 -22.362 1.00 44.47 O HETATM 1779 O HOH A2088 18.605 -2.743 18.020 1.00 42.52 O HETATM 1780 O HOH A2089 22.018 -0.385 16.840 1.00 52.01 O HETATM 1781 O HOH A2090 16.817 2.096 -16.069 1.00 44.15 O HETATM 1782 O HOH A2091 29.783 4.756 6.489 1.00 18.04 O HETATM 1783 O HOH A2092 32.753 1.754 6.853 1.00 30.74 O HETATM 1784 O HOH A2093 21.789 -7.514 -22.245 1.00 51.11 O HETATM 1785 O HOH A2094 17.713 -3.402 -28.791 1.00 23.17 O HETATM 1786 O HOH A2095 22.207 3.437 -26.628 1.00 34.75 O HETATM 1787 O HOH A2096 23.300 13.407 -9.476 1.00 49.06 O HETATM 1788 O HOH A2097 28.267 10.558 -11.801 1.00 47.12 O HETATM 1789 O HOH A2098 20.470 13.539 -6.157 1.00 31.00 O HETATM 1790 O HOH A2099 25.764 4.447 -22.312 1.00 50.74 O HETATM 1791 O HOH A2100 19.813 4.548 -22.413 1.00 34.72 O HETATM 1792 O HOH A2101 22.812 6.159 -22.746 1.00 43.07 O HETATM 1793 O HOH A2102 23.354 14.605 -5.862 1.00 41.52 O HETATM 1794 O HOH A2103 28.797 -4.073 -23.133 1.00 29.42 O HETATM 1795 O HOH A2104 29.444 2.561 -19.078 1.00 35.85 O HETATM 1796 O HOH A2105 25.471 1.632 -25.393 1.00 27.02 O HETATM 1797 O HOH A2106 10.464 2.869 16.169 1.00 36.03 O HETATM 1798 O HOH A2107 10.777 5.099 16.104 1.00 46.51 O HETATM 1799 O HOH A2108 24.228 7.807 12.189 1.00 37.70 O HETATM 1800 O HOH A2109 30.221 -2.262 -24.752 1.00 45.61 O HETATM 1801 O HOH A2110 34.608 -3.096 -19.352 1.00 31.03 O HETATM 1802 O HOH A2111 30.425 -4.992 -21.167 1.00 30.57 O HETATM 1803 O HOH A2112 38.033 7.670 6.586 1.00 45.05 O HETATM 1804 O HOH A2113 33.943 0.434 -13.436 1.00 30.07 O HETATM 1805 O HOH A2114 34.408 -7.884 -13.954 1.00 41.24 O HETATM 1806 O HOH A2115 34.588 -7.647 -10.005 1.00 49.62 O HETATM 1807 O HOH A2116 31.065 -4.292 -10.048 1.00 36.54 O HETATM 1808 O HOH A2117 34.993 -3.603 -12.266 1.00 61.19 O HETATM 1809 O HOH A2118 28.396 -8.597 -19.692 1.00 37.12 O HETATM 1810 O HOH A2119 35.488 -12.494 -15.453 1.00 49.36 O HETATM 1811 O HOH A2120 28.573 -12.382 -16.500 1.00 26.20 O HETATM 1812 O HOH A2121 28.107 -14.228 -14.841 1.00 34.66 O HETATM 1813 O HOH A2122 33.791 -8.680 -3.550 1.00 26.24 O HETATM 1814 O HOH A2123 33.175 -12.259 -11.103 1.00 49.68 O HETATM 1815 O HOH A2124 34.219 -9.996 -10.662 1.00 49.08 O HETATM 1816 O HOH A2125 33.931 -9.770 -1.084 1.00 18.44 O HETATM 1817 O HOH A2126 29.983 -10.073 -1.046 1.00 14.41 O HETATM 1818 O HOH A2127 34.283 -3.691 6.312 1.00 52.73 O HETATM 1819 O HOH A2128 35.538 -4.454 2.209 1.00 29.62 O HETATM 1820 O HOH A2129 36.664 -10.541 9.177 1.00 36.49 O HETATM 1821 O HOH A2130 31.256 -4.198 13.063 1.00 35.53 O HETATM 1822 O HOH A2131 27.222 -6.911 13.866 1.00 26.99 O HETATM 1823 O HOH A2132 37.101 -15.593 7.746 1.00 52.39 O HETATM 1824 O HOH A2133 30.500 -7.410 -0.778 1.00 13.69 O HETATM 1825 O HOH A2134 34.160 -7.429 0.825 1.00 33.98 O HETATM 1826 O HOH A2135 35.782 -6.720 -6.273 1.00 66.89 O HETATM 1827 O HOH A2136 29.267 -5.097 -7.639 1.00 29.60 O HETATM 1828 O HOH A2137 22.165 -3.147 -7.735 1.00 13.85 O HETATM 1829 O HOH A2138 22.769 -7.431 -3.061 1.00 13.68 O HETATM 1830 O HOH A2139 18.488 9.150 -9.990 1.00 25.35 O HETATM 1831 O HOH A2140 19.606 15.343 -1.375 1.00 52.39 O HETATM 1832 O HOH A2141 14.725 10.862 -3.931 1.00 31.08 O HETATM 1833 O HOH A2142 14.612 5.821 -10.892 1.00 55.31 O HETATM 1834 O HOH A2143 12.200 -1.654 -2.241 1.00 51.73 O HETATM 1835 O HOH A2144 10.959 2.029 0.664 1.00 25.94 O HETATM 1836 O HOH A2145 13.506 5.467 -7.080 1.00 29.28 O HETATM 1837 O HOH A2146 15.169 2.395 -8.938 1.00 31.22 O HETATM 1838 O HOH A2147 4.033 3.054 -1.673 1.00 34.89 O HETATM 1839 O HOH A2148 5.131 1.970 -4.088 1.00 56.69 O HETATM 1840 O HOH A2149 0.961 0.694 2.756 1.00 53.48 O HETATM 1841 O HOH A2150 0.208 -0.805 0.182 1.00 63.56 O HETATM 1842 O HOH A2151 4.955 -0.340 -1.556 1.00 27.21 O HETATM 1843 O HOH A2152 3.379 -1.312 -3.190 1.00 58.54 O HETATM 1844 O HOH A2153 -1.034 -1.615 1.915 1.00 51.43 O HETATM 1845 O HOH A2154 -3.224 -6.840 3.824 1.00 25.45 O HETATM 1846 O HOH A2155 1.254 -6.272 12.544 1.00 31.09 O HETATM 1847 O HOH A2156 -5.168 -5.239 4.613 1.00 37.32 O HETATM 1848 O HOH A2157 -0.546 -12.464 14.572 1.00 50.75 O HETATM 1849 O HOH A2158 -7.125 -13.907 11.515 1.00 27.06 O HETATM 1850 O HOH A2159 1.579 -13.312 11.846 1.00 24.93 O HETATM 1851 O HOH A2160 0.857 -17.223 5.449 1.00 21.33 O HETATM 1852 O HOH A2161 4.676 -15.628 11.148 1.00 25.06 O HETATM 1853 O HOH A2162 7.007 -14.064 0.040 1.00 31.41 O HETATM 1854 O HOH A2163 6.080 -17.938 1.677 1.00 39.12 O HETATM 1855 O HOH A2164 10.457 -15.572 2.671 1.00 33.56 O HETATM 1856 O HOH A2165 10.159 -10.251 -4.187 1.00 48.00 O HETATM 1857 O HOH A2166 9.429 -7.796 -4.315 1.00 37.01 O HETATM 1858 O HOH A2167 4.814 -2.958 -2.288 1.00 46.44 O HETATM 1859 O HOH A2168 11.047 -2.826 -0.349 1.00 34.82 O HETATM 1860 O HOH A2169 8.941 -3.737 -4.283 1.00 40.05 O HETATM 1861 O HOH A2170 10.451 -7.658 -1.890 1.00 19.13 O HETATM 1862 O HOH A2171 12.188 -5.430 -0.981 1.00 15.91 O HETATM 1863 O HOH A2172 19.161 -1.397 15.886 1.00 23.93 O HETATM 1864 O HOH A2173 26.999 -2.330 14.962 1.00 39.70 O HETATM 1865 O HOH A2174 23.099 3.514 12.298 1.00 37.26 O HETATM 1866 O HOH A2175 31.131 0.957 8.906 1.00 40.05 O HETATM 1867 O HOH A2176 30.373 2.342 5.102 1.00 15.11 O HETATM 1868 O HOH A2177 30.596 3.985 9.020 1.00 38.44 O HETATM 1869 O HOH A2178 31.666 4.877 -13.133 1.00 41.68 O HETATM 1870 O HOH A2179 30.494 6.983 -12.624 1.00 40.29 O HETATM 1871 O HOH A2180 20.451 3.128 -11.055 1.00 22.03 O HETATM 1872 O HOH A2181 29.108 5.672 -15.226 1.00 34.41 O HETATM 1873 O HOH A2182 28.703 2.516 -12.265 1.00 17.07 O HETATM 1874 O HOH A2183 23.535 1.628 -13.576 1.00 17.83 O HETATM 1875 O HOH A2184 21.273 5.907 -17.738 1.00 50.87 O HETATM 1876 O HOH A2185 21.984 3.072 -15.303 1.00 26.93 O HETATM 1877 O HOH A2186 22.711 11.305 -10.623 1.00 34.98 O HETATM 1878 O HOH A2187 20.971 11.101 -7.254 1.00 19.37 O HETATM 1879 O HOH A2188 26.666 12.423 -10.187 1.00 37.43 O HETATM 1880 O HOH A2189 24.958 5.597 -7.357 1.00 12.07 O HETATM 1881 O HOH A2190 31.900 7.765 -6.287 1.00 25.46 O HETATM 1882 O HOH A2191 32.348 3.335 -7.443 1.00 21.78 O HETATM 1883 O HOH A2192 25.775 12.889 -6.393 1.00 29.40 O HETATM 1884 O HOH A2193 25.495 14.528 -2.207 1.00 31.63 O HETATM 1885 O HOH A2194 27.071 5.432 6.808 1.00 21.07 O HETATM 1886 O HOH A2195 28.234 4.586 10.557 1.00 38.13 O HETATM 1887 O HOH A2196 21.641 4.911 11.307 1.00 40.19 O HETATM 1888 O HOH A2197 16.950 3.681 10.690 1.00 18.82 O HETATM 1889 O HOH A2198 11.383 1.203 14.010 1.00 27.48 O HETATM 1890 O HOH A2199 13.510 6.173 15.897 1.00 33.83 O HETATM 1891 O HOH A2200 17.171 5.986 13.164 1.00 26.84 O HETATM 1892 O HOH A2201 24.847 6.843 9.729 1.00 27.95 O HETATM 1893 O HOH A2202 25.207 7.006 5.386 1.00 13.78 O HETATM 1894 O HOH A2203 32.208 8.176 3.262 1.00 17.45 O HETATM 1895 O HOH A2204 31.820 8.099 -3.943 1.00 32.49 O HETATM 1896 O HOH A2205 38.053 8.694 3.624 1.00 24.83 O HETATM 1897 O HOH A2206 36.650 10.979 3.803 1.00 41.97 O HETATM 1898 O HOH A2207 32.772 -4.295 1.060 1.00 20.64 O HETATM 1899 O HOH A2208 32.714 -7.054 -2.270 1.00 24.05 O HETATM 1900 O HOH A2209 36.073 -7.326 -3.725 1.00 25.93 O HETATM 1901 O HOH A2210 34.655 -1.987 1.654 1.00 17.99 O HETATM 1902 O HOH A2211 38.523 -0.287 -4.324 1.00 20.07 O HETATM 1903 O HOH A2212 35.289 -4.075 -5.505 1.00 40.56 O HETATM 1904 O HOH A2213 33.693 5.876 -6.818 1.00 31.65 O HETATM 1905 O HOH A2214 32.365 2.462 -11.884 1.00 26.27 O HETATM 1906 O HOH A2215 34.595 -3.437 -8.655 1.00 46.95 O HETATM 1907 O HOH A2216 25.837 -5.742 15.288 1.00 48.15 O HETATM 1908 O HOH A2217 22.773 -8.138 19.038 1.00 35.22 O HETATM 1909 O HOH A2218 25.248 -16.127 17.483 1.00 27.88 O HETATM 1910 O HOH A2219 26.127 -7.988 17.249 1.00 36.17 O HETATM 1911 O HOH A2220 27.294 -13.974 20.654 1.00 48.98 O HETATM 1912 O HOH A2221 18.464 -11.345 18.841 1.00 40.89 O HETATM 1913 O HOH A2222 20.977 -11.020 19.860 1.00 49.66 O HETATM 1914 O HOH A2223 19.611 -18.444 17.688 1.00 58.45 O HETATM 1915 O HOH A2224 23.269 -17.967 15.359 1.00 24.84 O HETATM 1916 O HOH A2225 18.323 -17.877 13.008 1.00 26.68 O HETATM 1917 O HOH A2226 17.437 -17.544 16.599 1.00 51.77 O HETATM 1918 O HOH A2227 29.751 -17.749 13.287 1.00 34.64 O HETATM 1919 O HOH A2228 19.338 -19.666 15.402 1.00 42.64 O HETATM 1920 O HOH A2229 19.113 -22.387 13.068 1.00 39.64 O HETATM 1921 O HOH A2230 32.993 -16.812 8.503 1.00 44.59 O HETATM 1922 O HOH A2231 32.860 -18.513 6.403 1.00 46.34 O HETATM 1923 O HOH A2232 36.492 -24.040 3.357 1.00 52.41 O HETATM 1924 O HOH A2233 34.602 -21.972 6.289 1.00 39.49 O HETATM 1925 O HOH A2234 32.888 -20.956 7.919 1.00 43.01 O HETATM 1926 O HOH A2235 35.270 -24.422 1.034 1.00 49.99 O HETATM 1927 O HOH A2236 31.033 -23.956 8.011 1.00 31.63 O HETATM 1928 O HOH A2237 25.695 -27.043 3.447 1.00 40.30 O HETATM 1929 O HOH A2238 19.988 -27.212 2.120 1.00 39.11 O HETATM 1930 O HOH A2239 18.327 -26.462 -5.000 1.00 63.36 O HETATM 1931 O HOH A2240 13.601 -21.438 5.691 1.00 74.16 O HETATM 1932 O HOH A2241 16.123 -16.122 -3.584 1.00 22.16 O HETATM 1933 O HOH A2242 18.009 -18.650 0.335 1.00 23.06 O HETATM 1934 O HOH A2243 19.825 -21.212 -7.504 1.00 45.98 O HETATM 1935 O HOH A2244 14.921 -16.420 -11.269 1.00 25.34 O HETATM 1936 O HOH A2245 15.055 -20.293 -6.721 1.00 52.72 O HETATM 1937 O HOH A2246 21.697 -19.022 -16.150 1.00 45.59 O HETATM 1938 O HOH A2247 24.798 -18.394 -14.646 1.00 43.45 O HETATM 1939 O HOH A2248 22.656 -19.813 -9.663 1.00 30.78 O HETATM 1940 O HOH A2249 31.014 -17.921 -10.745 1.00 42.17 O HETATM 1941 O HOH A2250 31.584 -13.848 -12.033 1.00 55.19 O HETATM 1942 O HOH A2251 34.869 -14.722 3.970 1.00 25.72 O HETATM 1943 O HOH A2252 35.003 -17.198 5.681 1.00 38.13 O HETATM 1944 O HOH A2253 37.393 -12.101 4.512 1.00 52.80 O HETATM 1945 O HOH A2254 39.159 -20.600 1.562 1.00 41.31 O HETATM 1946 O HOH A2255 48.702 -20.387 8.539 1.00 30.44 O HETATM 1947 O HOH A2256 45.978 -25.641 3.122 1.00 39.05 O HETATM 1948 O HOH A2257 47.493 -26.980 4.869 1.00 60.05 O HETATM 1949 O HOH A2258 20.380 -7.911 -1.824 1.00 15.88 O CONECT 1666 1667 1673 CONECT 1667 1666 1668 1670 CONECT 1668 1667 1686 CONECT 1669 1670 1689 CONECT 1670 1667 1669 1671 CONECT 1671 1670 1672 CONECT 1672 1671 1673 CONECT 1673 1666 1672 1674 CONECT 1674 1673 1675 1678 CONECT 1675 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 1679 CONECT 1678 1674 1679 1680 CONECT 1679 1677 1678 CONECT 1680 1678 1681 1690 CONECT 1681 1680 1682 CONECT 1682 1681 1683 1685 CONECT 1683 1682 1684 CONECT 1684 1683 CONECT 1685 1682 1687 1688 CONECT 1686 1668 1689 CONECT 1687 1685 CONECT 1688 1685 1690 CONECT 1689 1669 1686 CONECT 1690 1680 1688 1691 CONECT 1691 1690 MASTER 390 0 1 10 8 0 4 6 1948 1 26 17 END